----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:04:04]------------------------- 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_12_12_1 (19) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.000913140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): *1 Cs 0.77044473763825 0.78522042999103 0.89801037639230 132.905 2 Cs 0.27044473763825 0.71477957000897 0.10198962360770 132.905 *3 Cs 0.93024903491903 0.89445606117957 0.52065325815717 132.905 4 Cs 0.43024903491903 0.60554393882043 0.47934674184283 132.905 5 Cs 0.06975096508097 0.39445606117957 0.97934674184283 132.905 6 Cs 0.56975096508097 0.10554393882043 0.02065325815717 132.905 7 Cs 0.72955526236175 0.21477957000897 0.39801037639230 132.905 8 Cs 0.22955526236175 0.28522042999103 0.60198962360770 132.905 *9 Si 0.07741666037788 0.38769576083236 0.29121078213003 28.085 10 Si 0.92258333962212 0.88769576083236 0.20878921786997 28.085 *11 Si 0.58355427533443 0.47276749723388 0.99107679586953 28.085 *12 Si 0.56102096624097 0.87196411807869 0.28708782241626 28.085 13 Si 0.06102096624097 0.62803588192131 0.71291217758374 28.085 14 Si 0.42258333962212 0.61230423916764 0.79121078213003 28.085 15 Si 0.57741666037788 0.11230423916764 0.70878921786997 28.085 16 Si 0.08355427533443 0.02723250276612 0.00892320413047 28.085 17 Si 0.91644572466557 0.52723250276612 0.49107679586953 28.085 18 Si 0.41644572466557 0.97276749723388 0.50892320413047 28.085 19 Si 0.43897903375903 0.37196411807869 0.21291217758374 28.085 20 Si 0.93897903375903 0.12803588192131 0.78708782241626 28.085 *21 Sn 0.24604713147852 0.08903747290850 0.26523323773993 118.710 22 Sn 0.74604713147852 0.41096252709150 0.73476676226007 118.710 23 Sn 0.75395286852148 0.58903747290850 0.23476676226007 118.710 24 Sn 0.25395286852148 0.91096252709150 0.76523323773993 118.710 *25 O 0.56329803652795 0.05236810736522 0.57938868637221 15.999 *26 O 0.41892643377456 0.95010613423278 0.21837263288937 15.999 *27 O 0.57828086697511 0.26761200784519 0.69618450906861 15.999 *28 O 0.02871688589167 0.62056555361860 0.57496546596161 15.999 *29 O 0.19277216166090 0.11419245196727 0.09487883740279 15.999 30 O 0.58107356622544 0.45010613423278 0.28162736711063 15.999 31 O 0.97128311410833 0.12056555361860 0.92503453403839 15.999 *32 O 0.57369667686061 0.55616930425220 0.71480467966174 15.999 *33 O 0.06361272904154 0.77799575486143 0.74890695580430 15.999 34 O 0.69277216166090 0.38580754803273 0.90512116259721 15.999 35 O 0.42630332313939 0.05616930425220 0.78519532033826 15.999 36 O 0.93670196347205 0.94763189263478 0.07938868637221 15.999 37 O 0.43638727095846 0.22200424513858 0.24890695580430 15.999 38 O 0.06329803652795 0.44763189263478 0.42061131362778 15.999 *39 O 0.74489802237359 0.94002229252923 0.26375381171912 15.999 40 O 0.92630332313939 0.44383069574780 0.21480467966174 15.999 41 O 0.07369667686061 0.94383069574780 0.28519532033826 15.999 42 O 0.07828086697511 0.23238799215481 0.30381549093139 15.999 43 O 0.24489802237359 0.55997770747077 0.73624618828088 15.999 44 O 0.52871688589167 0.87943444638140 0.42503453403839 15.999 45 O 0.75510197762641 0.05997770747077 0.76375381171912 15.999 *46 O 0.19385198053135 0.92775772038719 0.93435354805059 15.999 47 O 0.43670196347205 0.55236810736522 0.92061131362779 15.999 48 O 0.30722783833910 0.88580754803273 0.59487883740279 15.999 49 O 0.69385198053135 0.57224227961281 0.06564645194941 15.999 50 O 0.42171913302489 0.76761200784519 0.80381549093139 15.999 51 O 0.30614801946865 0.07224227961281 0.43435354805059 15.999 52 O 0.56361272904154 0.72200424513857 0.25109304419570 15.999 53 O 0.80722783833910 0.61419245196727 0.40512116259721 15.999 54 O 0.80614801946865 0.42775772038719 0.56564645194941 15.999 55 O 0.92171913302489 0.73238799215481 0.19618450906861 15.999 56 O 0.93638727095846 0.27799575486143 0.75109304419570 15.999 57 O 0.25510197762641 0.44002229252923 0.23624618828088 15.999 58 O 0.08107356622544 0.04989386576722 0.71837263288937 15.999 59 O 0.91892643377456 0.54989386576722 0.78162736711063 15.999 60 O 0.47128311410833 0.37943444638140 0.07496546596161 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.000913140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): *1 Cs 0.77044473763825 0.78522042999103 0.89801037639230 132.905 > 1 2 Cs 0.27044473763825 0.71477957000897 0.10198962360770 132.905 > 2 *3 Cs 0.93024903491903 0.89445606117957 0.52065325815717 132.905 > 3 4 Cs 0.43024903491903 0.60554393882043 0.47934674184283 132.905 > 4 5 Cs 0.06975096508097 0.39445606117957 0.97934674184283 132.905 > 5 6 Cs 0.56975096508097 0.10554393882043 0.02065325815717 132.905 > 6 7 Cs 0.72955526236175 0.21477957000897 0.39801037639230 132.905 > 7 8 Cs 0.22955526236175 0.28522042999103 0.60198962360770 132.905 > 8 *9 Si 0.07741666037788 0.38769576083236 0.29121078213003 28.085 > 9 10 Si 0.92258333962212 0.88769576083236 0.20878921786997 28.085 > 10 *11 Si 0.58355427533443 0.47276749723388 0.99107679586953 28.085 > 11 *12 Si 0.56102096624097 0.87196411807869 0.28708782241626 28.085 > 12 13 Si 0.06102096624097 0.62803588192131 0.71291217758374 28.085 > 13 14 Si 0.42258333962212 0.61230423916764 0.79121078213003 28.085 > 14 15 Si 0.57741666037788 0.11230423916764 0.70878921786997 28.085 > 15 16 Si 0.08355427533443 0.02723250276612 0.00892320413047 28.085 > 16 17 Si 0.91644572466557 0.52723250276612 0.49107679586953 28.085 > 17 18 Si 0.41644572466557 0.97276749723388 0.50892320413047 28.085 > 18 19 Si 0.43897903375903 0.37196411807869 0.21291217758374 28.085 > 19 20 Si 0.93897903375903 0.12803588192131 0.78708782241626 28.085 > 20 *21 Sn 0.24604713147852 0.08903747290850 0.26523323773993 118.710 > 21 22 Sn 0.74604713147852 0.41096252709150 0.73476676226007 118.710 > 22 23 Sn 0.75395286852148 0.58903747290850 0.23476676226007 118.710 > 23 24 Sn 0.25395286852148 0.91096252709150 0.76523323773993 118.710 > 24 *25 O 0.56329803652795 0.05236810736522 0.57938868637221 15.999 > 25 *26 O 0.41892643377456 0.95010613423278 0.21837263288937 15.999 > 26 *27 O 0.57828086697511 0.26761200784519 0.69618450906861 15.999 > 27 *28 O 0.02871688589167 0.62056555361860 0.57496546596161 15.999 > 28 *29 O 0.19277216166090 0.11419245196727 0.09487883740279 15.999 > 29 30 O 0.58107356622544 0.45010613423278 0.28162736711063 15.999 > 30 31 O 0.97128311410833 0.12056555361860 0.92503453403839 15.999 > 31 *32 O 0.57369667686061 0.55616930425220 0.71480467966174 15.999 > 32 *33 O 0.06361272904154 0.77799575486143 0.74890695580430 15.999 > 33 34 O 0.69277216166090 0.38580754803273 0.90512116259721 15.999 > 34 35 O 0.42630332313939 0.05616930425220 0.78519532033826 15.999 > 35 36 O 0.93670196347205 0.94763189263478 0.07938868637221 15.999 > 36 37 O 0.43638727095846 0.22200424513858 0.24890695580430 15.999 > 37 38 O 0.06329803652795 0.44763189263478 0.42061131362778 15.999 > 38 *39 O 0.74489802237359 0.94002229252923 0.26375381171912 15.999 > 39 40 O 0.92630332313939 0.44383069574780 0.21480467966174 15.999 > 40 41 O 0.07369667686061 0.94383069574780 0.28519532033826 15.999 > 41 42 O 0.07828086697511 0.23238799215481 0.30381549093139 15.999 > 42 43 O 0.24489802237359 0.55997770747077 0.73624618828088 15.999 > 43 44 O 0.52871688589167 0.87943444638140 0.42503453403839 15.999 > 44 45 O 0.75510197762641 0.05997770747077 0.76375381171912 15.999 > 45 *46 O 0.19385198053135 0.92775772038719 0.93435354805059 15.999 > 46 47 O 0.43670196347205 0.55236810736522 0.92061131362779 15.999 > 47 48 O 0.30722783833910 0.88580754803273 0.59487883740279 15.999 > 48 49 O 0.69385198053135 0.57224227961281 0.06564645194941 15.999 > 49 50 O 0.42171913302489 0.76761200784519 0.80381549093139 15.999 > 50 51 O 0.30614801946865 0.07224227961281 0.43435354805059 15.999 > 51 52 O 0.56361272904154 0.72200424513857 0.25109304419570 15.999 > 52 53 O 0.80722783833910 0.61419245196727 0.40512116259721 15.999 > 53 54 O 0.80614801946865 0.42775772038719 0.56564645194941 15.999 > 54 55 O 0.92171913302489 0.73238799215481 0.19618450906861 15.999 > 55 56 O 0.93638727095846 0.27799575486143 0.75109304419570 15.999 > 56 57 O 0.25510197762641 0.44002229252923 0.23624618828088 15.999 > 57 58 O 0.08107356622544 0.04989386576722 0.71837263288937 15.999 > 58 59 O 0.91892643377456 0.54989386576722 0.78162736711063 15.999 > 59 60 O 0.47128311410833 0.37943444638140 0.07496546596161 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.001826280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): *1 Cs 0.38522236881913 0.78522042999103 0.89801037639230 132.905 > 1 2 Cs 0.88522236881913 0.78522042999103 0.89801037639230 132.905 > 1 3 Cs 0.13522236881913 0.71477957000897 0.10198962360770 132.905 > 2 4 Cs 0.63522236881913 0.71477957000897 0.10198962360770 132.905 > 2 *5 Cs 0.46512451745952 0.89445606117957 0.52065325815717 132.905 > 3 6 Cs 0.96512451745952 0.89445606117957 0.52065325815717 132.905 > 3 7 Cs 0.21512451745952 0.60554393882043 0.47934674184283 132.905 > 4 8 Cs 0.71512451745952 0.60554393882043 0.47934674184283 132.905 > 4 9 Cs 0.03487548254048 0.39445606117957 0.97934674184283 132.905 > 5 10 Cs 0.53487548254048 0.39445606117957 0.97934674184283 132.905 > 5 11 Cs 0.28487548254048 0.10554393882043 0.02065325815717 132.905 > 6 12 Cs 0.78487548254048 0.10554393882043 0.02065325815717 132.905 > 6 13 Cs 0.36477763118087 0.21477957000897 0.39801037639230 132.905 > 7 14 Cs 0.86477763118087 0.21477957000897 0.39801037639230 132.905 > 7 15 Cs 0.11477763118087 0.28522042999103 0.60198962360770 132.905 > 8 16 Cs 0.61477763118087 0.28522042999103 0.60198962360770 132.905 > 8 *17 Si 0.03870833018894 0.38769576083236 0.29121078213003 28.085 > 9 18 Si 0.53870833018894 0.38769576083236 0.29121078213003 28.085 > 9 19 Si 0.46129166981106 0.88769576083236 0.20878921786997 28.085 > 10 20 Si 0.96129166981106 0.88769576083236 0.20878921786997 28.085 > 10 *21 Si 0.29177713766722 0.47276749723388 0.99107679586953 28.085 > 11 22 Si 0.79177713766722 0.47276749723388 0.99107679586953 28.085 > 11 *23 Si 0.28051048312049 0.87196411807869 0.28708782241626 28.085 > 12 24 Si 0.78051048312049 0.87196411807869 0.28708782241626 28.085 > 12 25 Si 0.03051048312049 0.62803588192131 0.71291217758374 28.085 > 13 26 Si 0.53051048312049 0.62803588192131 0.71291217758374 28.085 > 13 27 Si 0.21129166981106 0.61230423916764 0.79121078213003 28.085 > 14 28 Si 0.71129166981106 0.61230423916764 0.79121078213003 28.085 > 14 29 Si 0.28870833018894 0.11230423916764 0.70878921786997 28.085 > 15 30 Si 0.78870833018894 0.11230423916764 0.70878921786997 28.085 > 15 31 Si 0.04177713766722 0.02723250276612 0.00892320413047 28.085 > 16 32 Si 0.54177713766722 0.02723250276612 0.00892320413047 28.085 > 16 33 Si 0.45822286233278 0.52723250276612 0.49107679586953 28.085 > 17 34 Si 0.95822286233278 0.52723250276612 0.49107679586953 28.085 > 17 35 Si 0.20822286233278 0.97276749723388 0.50892320413047 28.085 > 18 36 Si 0.70822286233278 0.97276749723388 0.50892320413047 28.085 > 18 37 Si 0.21948951687951 0.37196411807869 0.21291217758374 28.085 > 19 38 Si 0.71948951687951 0.37196411807869 0.21291217758374 28.085 > 19 39 Si 0.46948951687951 0.12803588192131 0.78708782241626 28.085 > 20 40 Si 0.96948951687951 0.12803588192131 0.78708782241626 28.085 > 20 *41 Sn 0.12302356573926 0.08903747290850 0.26523323773993 118.710 > 21 42 Sn 0.62302356573926 0.08903747290850 0.26523323773993 118.710 > 21 43 Sn 0.37302356573926 0.41096252709150 0.73476676226007 118.710 > 22 44 Sn 0.87302356573926 0.41096252709150 0.73476676226007 118.710 > 22 45 Sn 0.37697643426074 0.58903747290850 0.23476676226007 118.710 > 23 46 Sn 0.87697643426074 0.58903747290850 0.23476676226007 118.710 > 23 47 Sn 0.12697643426074 0.91096252709150 0.76523323773993 118.710 > 24 48 Sn 0.62697643426074 0.91096252709150 0.76523323773993 118.710 > 24 *49 O 0.28164901826397 0.05236810736522 0.57938868637221 15.999 > 25 50 O 0.78164901826398 0.05236810736522 0.57938868637221 15.999 > 25 *51 O 0.20946321688728 0.95010613423278 0.21837263288937 15.999 > 26 52 O 0.70946321688728 0.95010613423278 0.21837263288937 15.999 > 26 *53 O 0.28914043348755 0.26761200784519 0.69618450906861 15.999 > 27 54 O 0.78914043348755 0.26761200784519 0.69618450906861 15.999 > 27 *55 O 0.01435844294583 0.62056555361860 0.57496546596161 15.999 > 28 56 O 0.51435844294583 0.62056555361860 0.57496546596161 15.999 > 28 *57 O 0.09638608083045 0.11419245196727 0.09487883740279 15.999 > 29 58 O 0.59638608083045 0.11419245196727 0.09487883740279 15.999 > 29 59 O 0.29053678311272 0.45010613423278 0.28162736711063 15.999 > 30 60 O 0.79053678311272 0.45010613423278 0.28162736711063 15.999 > 30 61 O 0.48564155705417 0.12056555361860 0.92503453403839 15.999 > 31 62 O 0.98564155705417 0.12056555361860 0.92503453403839 15.999 > 31 *63 O 0.28684833843030 0.55616930425220 0.71480467966174 15.999 > 32 64 O 0.78684833843030 0.55616930425220 0.71480467966174 15.999 > 32 *65 O 0.03180636452077 0.77799575486143 0.74890695580430 15.999 > 33 66 O 0.53180636452077 0.77799575486143 0.74890695580430 15.999 > 33 67 O 0.34638608083045 0.38580754803273 0.90512116259721 15.999 > 34 68 O 0.84638608083045 0.38580754803273 0.90512116259721 15.999 > 34 69 O 0.21315166156970 0.05616930425220 0.78519532033826 15.999 > 35 70 O 0.71315166156970 0.05616930425220 0.78519532033826 15.999 > 35 71 O 0.46835098173603 0.94763189263478 0.07938868637221 15.999 > 36 72 O 0.96835098173602 0.94763189263478 0.07938868637221 15.999 > 36 73 O 0.21819363547923 0.22200424513858 0.24890695580430 15.999 > 37 74 O 0.71819363547923 0.22200424513858 0.24890695580430 15.999 > 37 75 O 0.03164901826398 0.44763189263478 0.42061131362778 15.999 > 38 76 O 0.53164901826398 0.44763189263478 0.42061131362778 15.999 > 38 *77 O 0.37244901118679 0.94002229252923 0.26375381171912 15.999 > 39 78 O 0.87244901118679 0.94002229252923 0.26375381171912 15.999 > 39 79 O 0.46315166156970 0.44383069574780 0.21480467966174 15.999 > 40 80 O 0.96315166156970 0.44383069574780 0.21480467966174 15.999 > 40 81 O 0.03684833843030 0.94383069574780 0.28519532033826 15.999 > 41 82 O 0.53684833843030 0.94383069574780 0.28519532033826 15.999 > 41 83 O 0.03914043348755 0.23238799215481 0.30381549093139 15.999 > 42 84 O 0.53914043348755 0.23238799215481 0.30381549093139 15.999 > 42 85 O 0.12244901118679 0.55997770747077 0.73624618828088 15.999 > 43 86 O 0.62244901118679 0.55997770747077 0.73624618828088 15.999 > 43 87 O 0.26435844294583 0.87943444638140 0.42503453403839 15.999 > 44 88 O 0.76435844294583 0.87943444638140 0.42503453403839 15.999 > 44 89 O 0.37755098881321 0.05997770747077 0.76375381171912 15.999 > 45 90 O 0.87755098881321 0.05997770747077 0.76375381171912 15.999 > 45 *91 O 0.09692599026567 0.92775772038719 0.93435354805059 15.999 > 46 92 O 0.59692599026567 0.92775772038719 0.93435354805059 15.999 > 46 93 O 0.21835098173602 0.55236810736522 0.92061131362779 15.999 > 47 94 O 0.71835098173602 0.55236810736522 0.92061131362779 15.999 > 47 95 O 0.15361391916955 0.88580754803273 0.59487883740279 15.999 > 48 96 O 0.65361391916955 0.88580754803273 0.59487883740279 15.999 > 48 97 O 0.34692599026567 0.57224227961281 0.06564645194941 15.999 > 49 98 O 0.84692599026567 0.57224227961281 0.06564645194941 15.999 > 49 99 O 0.21085956651245 0.76761200784519 0.80381549093139 15.999 > 50 100 O 0.71085956651245 0.76761200784519 0.80381549093139 15.999 > 50 101 O 0.15307400973433 0.07224227961281 0.43435354805059 15.999 > 51 102 O 0.65307400973433 0.07224227961281 0.43435354805059 15.999 > 51 103 O 0.28180636452077 0.72200424513857 0.25109304419570 15.999 > 52 104 O 0.78180636452077 0.72200424513857 0.25109304419570 15.999 > 52 105 O 0.40361391916955 0.61419245196727 0.40512116259721 15.999 > 53 106 O 0.90361391916955 0.61419245196727 0.40512116259721 15.999 > 53 107 O 0.40307400973433 0.42775772038719 0.56564645194941 15.999 > 54 108 O 0.90307400973433 0.42775772038719 0.56564645194941 15.999 > 54 109 O 0.46085956651245 0.73238799215481 0.19618450906861 15.999 > 55 110 O 0.96085956651245 0.73238799215481 0.19618450906861 15.999 > 55 111 O 0.46819363547923 0.27799575486143 0.75109304419570 15.999 > 56 112 O 0.96819363547923 0.27799575486143 0.75109304419570 15.999 > 56 113 O 0.12755098881321 0.44002229252923 0.23624618828088 15.999 > 57 114 O 0.62755098881321 0.44002229252923 0.23624618828088 15.999 > 57 115 O 0.04053678311272 0.04989386576722 0.71837263288937 15.999 > 58 116 O 0.54053678311272 0.04989386576722 0.71837263288937 15.999 > 58 117 O 0.45946321688728 0.54989386576722 0.78162736711063 15.999 > 59 118 O 0.95946321688728 0.54989386576722 0.78162736711063 15.999 > 59 119 O 0.23564155705417 0.37943444638140 0.07496546596161 15.999 > 60 120 O 0.73564155705417 0.37943444638140 0.07496546596161 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8001992 0.0000000 0.0000000 0.0000000 2.8170288 0.0000000 0.0000000 0.0000000 2.8024890 -------------------------- Born effective charges -------------------------- 1 Cs 1.3983734 0.0937891 -0.0356300 0.0888674 1.3534474 0.0020480 -0.0317355 -0.0025083 1.3238510 2 Cs 1.3983734 -0.0937891 0.0356300 -0.0888674 1.3534474 0.0020480 0.0317355 -0.0025083 1.3238510 3 Cs 1.3491448 -0.0014091 0.1604876 0.0065867 1.2528923 0.0107459 0.1653106 0.0136184 1.4836698 4 Cs 1.3491448 0.0014091 -0.1604876 -0.0065867 1.2528923 0.0107459 -0.1653106 0.0136184 1.4836698 5 Cs 1.3491448 0.0014091 0.1604876 -0.0065867 1.2528923 -0.0107459 0.1653106 -0.0136184 1.4836698 6 Cs 1.3491448 -0.0014091 -0.1604876 0.0065867 1.2528923 -0.0107459 -0.1653106 -0.0136184 1.4836698 7 Cs 1.3983734 0.0937891 0.0356300 0.0888674 1.3534474 -0.0020480 0.0317355 0.0025083 1.3238510 8 Cs 1.3983734 -0.0937891 -0.0356300 -0.0888674 1.3534474 -0.0020480 -0.0317355 0.0025083 1.3238510 9 Si 3.2883334 -0.4671191 -0.2085434 -0.4127486 3.1505771 -0.1758233 -0.2791091 0.1915273 2.9455001 10 Si 3.2883334 0.4671191 -0.2085434 0.4127486 3.1505771 0.1758233 -0.2791091 -0.1915273 2.9455001 11 Si 2.9174854 0.0120184 -0.1252313 -0.0535340 2.7942143 -0.1266027 -0.0248737 0.2651950 3.6283165 12 Si 3.2647592 -0.3802424 -0.1279862 -0.3928843 3.1779151 0.1661379 -0.1270203 0.0368946 2.8902532 13 Si 3.2647592 0.3802424 0.1279862 0.3928843 3.1779151 0.1661379 0.1270203 0.0368946 2.8902532 14 Si 3.2883334 -0.4671191 0.2085434 -0.4127486 3.1505771 0.1758233 0.2791091 -0.1915273 2.9455001 15 Si 3.2883334 0.4671191 0.2085434 0.4127486 3.1505771 -0.1758233 0.2791091 0.1915273 2.9455001 16 Si 2.9174854 -0.0120184 0.1252313 0.0535340 2.7942143 -0.1266027 0.0248737 0.2651950 3.6283165 17 Si 2.9174854 0.0120184 0.1252313 -0.0535340 2.7942143 0.1266027 0.0248737 -0.2651950 3.6283165 18 Si 2.9174854 -0.0120184 -0.1252313 0.0535340 2.7942143 0.1266027 -0.0248737 -0.2651950 3.6283165 19 Si 3.2647592 0.3802424 -0.1279862 0.3928843 3.1779151 -0.1661379 -0.1270203 -0.0368946 2.8902532 20 Si 3.2647592 -0.3802424 0.1279862 -0.3928843 3.1779151 -0.1661379 0.1270203 -0.0368946 2.8902532 21 Sn 4.0222893 -0.0241767 0.1832931 0.0002377 4.2711755 0.1059746 0.2397040 -0.0429945 3.9982470 22 Sn 4.0222893 0.0241767 -0.1832931 -0.0002377 4.2711755 0.1059746 -0.2397040 -0.0429945 3.9982470 23 Sn 4.0222893 0.0241767 0.1832931 -0.0002377 4.2711755 -0.1059746 0.2397040 0.0429945 3.9982470 24 Sn 4.0222893 -0.0241767 -0.1832931 0.0002377 4.2711755 -0.1059746 -0.2397040 0.0429945 3.9982470 25 O -1.6396850 -0.4488015 -0.3650388 -0.4743235 -1.4964410 -0.5207971 -0.3760982 -0.5750548 -2.3328439 26 O -2.0326835 0.6965407 -0.2402531 0.6545275 -1.9044121 0.1145353 -0.1796870 0.0859162 -1.5011166 27 O -1.6370032 -0.5330981 -0.1944581 -0.3767358 -2.5388879 -0.0004778 -0.2478808 -0.1936442 -1.1678460 28 O -1.4285295 -0.3391057 -0.5492339 -0.3556353 -1.5719107 -0.4692488 -0.5187128 -0.3681819 -2.4194363 29 O -1.5202624 -0.2725696 -0.4287052 -0.2716205 -1.4734132 -0.3009723 -0.4937781 -0.3550402 -2.3092612 30 O -2.0326835 -0.6965407 -0.2402531 -0.6545275 -1.9044121 -0.1145353 -0.1796870 -0.0859162 -1.5011166 31 O -1.4285295 0.3391057 -0.5492339 0.3556353 -1.5719107 0.4692488 -0.5187128 0.3681819 -2.4194363 32 O -2.1224870 0.7604453 0.2907245 0.7226803 -1.6202070 -0.2398187 0.1747632 -0.1031905 -1.5918357 33 O -1.6741781 -0.4396009 -0.0184614 -0.3917808 -2.4432212 -0.2272519 -0.0297404 -0.2618653 -1.3232153 34 O -1.5202624 0.2725696 0.4287052 0.2716205 -1.4734132 -0.3009723 0.4937781 -0.3550402 -2.3092612 35 O -2.1224870 -0.7604453 0.2907245 -0.7226803 -1.6202070 0.2398187 0.1747632 0.1031905 -1.5918357 36 O -1.6396850 -0.4488015 0.3650388 -0.4743235 -1.4964410 0.5207971 0.3760982 0.5750548 -2.3328439 37 O -1.6741781 -0.4396009 0.0184614 -0.3917808 -2.4432212 0.2272519 0.0297404 0.2618653 -1.3232153 38 O -1.6396850 0.4488015 0.3650388 0.4743235 -1.4964410 -0.5207971 0.3760982 -0.5750548 -2.3328439 39 O -2.7370157 -0.0592108 0.4467149 -0.0501219 -1.3977241 -0.1227284 0.5239433 -0.0538165 -1.2779577 40 O -2.1224870 0.7604453 -0.2907245 0.7226803 -1.6202070 0.2398187 -0.1747632 0.1031905 -1.5918357 41 O -2.1224870 -0.7604453 -0.2907245 -0.7226803 -1.6202070 -0.2398187 -0.1747632 -0.1031905 -1.5918357 42 O -1.6370032 0.5330981 0.1944581 0.3767358 -2.5388879 -0.0004778 0.2478808 -0.1936442 -1.1678460 43 O -2.7370157 0.0592108 -0.4467149 0.0501219 -1.3977241 -0.1227284 -0.5239433 -0.0538165 -1.2779577 44 O -1.4285295 0.3391057 0.5492339 0.3556353 -1.5719107 -0.4692488 0.5187128 -0.3681819 -2.4194363 45 O -2.7370157 -0.0592108 -0.4467149 -0.0501219 -1.3977241 0.1227284 -0.5239433 0.0538165 -1.2779577 46 O -1.4485412 0.3633666 0.3445079 0.3139820 -1.5540044 -0.2635493 0.4842459 -0.4423222 -2.3463249 47 O -1.6396850 0.4488015 -0.3650388 0.4743235 -1.4964410 0.5207971 -0.3760982 0.5750548 -2.3328439 48 O -1.5202624 -0.2725696 0.4287052 -0.2716205 -1.4734132 0.3009723 0.4937781 0.3550402 -2.3092612 49 O -1.4485412 -0.3633666 -0.3445079 -0.3139820 -1.5540044 -0.2635493 -0.4842459 -0.4423222 -2.3463249 50 O -1.6370032 0.5330981 -0.1944581 0.3767358 -2.5388879 0.0004778 -0.2478808 0.1936442 -1.1678460 51 O -1.4485412 0.3633666 -0.3445079 0.3139820 -1.5540044 0.2635493 -0.4842459 0.4423222 -2.3463249 52 O -1.6741781 0.4396009 0.0184614 0.3917808 -2.4432212 -0.2272519 0.0297404 -0.2618653 -1.3232153 53 O -1.5202624 0.2725696 -0.4287052 0.2716205 -1.4734132 0.3009723 -0.4937781 0.3550402 -2.3092612 54 O -1.4485412 -0.3633666 0.3445079 -0.3139820 -1.5540044 0.2635493 0.4842459 0.4423222 -2.3463249 55 O -1.6370032 -0.5330981 0.1944581 -0.3767358 -2.5388879 0.0004778 0.2478808 0.1936442 -1.1678460 56 O -1.6741781 0.4396009 -0.0184614 0.3917808 -2.4432212 0.2272519 -0.0297404 0.2618653 -1.3232153 57 O -2.7370157 0.0592108 0.4467149 0.0501219 -1.3977241 0.1227284 0.5239433 0.0538165 -1.2779577 58 O -2.0326835 0.6965407 0.2402531 0.6545275 -1.9044121 -0.1145353 0.1796870 -0.0859162 -1.5011166 59 O -2.0326835 -0.6965407 0.2402531 -0.6545275 -1.9044121 0.1145353 0.1796870 0.0859162 -1.5011166 60 O -1.4285295 -0.3391057 0.5492339 -0.3556353 -1.5719107 0.4692488 0.5187128 0.3681819 -2.4194363 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8235 Number of blocks in projector: 8235 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 275 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 105 (1) Compute compressed projector. (1) Use standard solver. (1) 75 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8235, 8100), data: False |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 75), data: (1800, 105) @ (105, 75) |-- (300, 280), data: True |-- (500, 473), data: False |-- (500, 24), data: (500, 51) @ (51, 24) |-- (250, 226), data: True |-- (250, 223), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 220), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 224), data: True |-- (250, 224), data: True |-- (1800, 1770), data: False |-- (1800, 78), data: (1800, 108) @ (108, 78) |-- (300, 280), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 222), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 27), data: (500, 57) @ (57, 27) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 22), data: (500, 52) @ (52, 22) |-- (250, 228), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 275), data: True |-- (500, 472), data: False |-- (500, 20), data: (500, 48) @ (48, 20) |-- (250, 230), data: True |-- (250, 222), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.379 Solver_block: 200 / 1840 - Time: 2.082 Solver_block: 300 / 1840 - Time: 2.105 Solver_block: 400 / 1840 - Time: 2.106 Solver_block: 500 / 1840 - Time: 2.093 Solver_block: 600 / 1840 - Time: 2.102 Solver_block: 700 / 1840 - Time: 2.103 Solver_block: 800 / 1840 - Time: 2.085 Solver_block: 900 / 1840 - Time: 2.089 Solver_block: 1000 / 1840 - Time: 2.091 Solver_block: 1100 / 1840 - Time: 2.091 Solver_block: 1200 / 1840 - Time: 2.095 Solver_block: 1300 / 1840 - Time: 2.090 Solver_block: 1400 / 1840 - Time: 2.087 Solver_block: 1500 / 1840 - Time: 2.100 Solver_block: 1600 / 1840 - Time: 2.085 Solver_block: 1700 / 1840 - Time: 2.084 Solver_block: 1800 / 1840 - Time: 2.094 Solver_block: 1840 / 1840 - Time: 1.068 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.103 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8235 Number of blocks in projector: 8235 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 275 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 105 (1) Compute compressed projector. (1) Use standard solver. (1) 75 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8235, 8100), data: False |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 75), data: (1800, 105) @ (105, 75) |-- (300, 280), data: True |-- (500, 473), data: False |-- (500, 24), data: (500, 51) @ (51, 24) |-- (250, 226), data: True |-- (250, 223), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 220), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 224), data: True |-- (250, 224), data: True |-- (1800, 1770), data: False |-- (1800, 78), data: (1800, 108) @ (108, 78) |-- (300, 280), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 222), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 27), data: (500, 57) @ (57, 27) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 22), data: (500, 52) @ (52, 22) |-- (250, 228), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 275), data: True |-- (500, 472), data: False |-- (500, 20), data: (500, 48) @ (48, 20) |-- (250, 230), data: True |-- (250, 222), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:06:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:06:10]------------------------- 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_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.000913140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): 1 Cs 0.77044473763825 0.78522042999103 0.89801037639230 132.905 2 Cs 0.27044473763825 0.71477957000897 0.10198962360770 132.905 3 Cs 0.93024903491903 0.89445606117957 0.52065325815717 132.905 4 Cs 0.43024903491903 0.60554393882043 0.47934674184283 132.905 5 Cs 0.06975096508097 0.39445606117957 0.97934674184283 132.905 6 Cs 0.56975096508097 0.10554393882043 0.02065325815717 132.905 7 Cs 0.72955526236175 0.21477957000897 0.39801037639230 132.905 8 Cs 0.22955526236175 0.28522042999103 0.60198962360770 132.905 9 Si 0.07741666037788 0.38769576083236 0.29121078213003 28.085 10 Si 0.92258333962212 0.88769576083236 0.20878921786997 28.085 11 Si 0.58355427533443 0.47276749723388 0.99107679586953 28.085 12 Si 0.56102096624097 0.87196411807869 0.28708782241626 28.085 13 Si 0.06102096624097 0.62803588192131 0.71291217758374 28.085 14 Si 0.42258333962212 0.61230423916764 0.79121078213003 28.085 15 Si 0.57741666037788 0.11230423916764 0.70878921786997 28.085 16 Si 0.08355427533443 0.02723250276612 0.00892320413047 28.085 17 Si 0.91644572466557 0.52723250276612 0.49107679586953 28.085 18 Si 0.41644572466557 0.97276749723388 0.50892320413047 28.085 19 Si 0.43897903375903 0.37196411807869 0.21291217758374 28.085 20 Si 0.93897903375903 0.12803588192131 0.78708782241626 28.085 21 Sn 0.24604713147852 0.08903747290850 0.26523323773993 118.710 22 Sn 0.74604713147852 0.41096252709150 0.73476676226007 118.710 23 Sn 0.75395286852148 0.58903747290850 0.23476676226007 118.710 24 Sn 0.25395286852148 0.91096252709150 0.76523323773993 118.710 25 O 0.56329803652795 0.05236810736522 0.57938868637221 15.999 26 O 0.41892643377456 0.95010613423278 0.21837263288937 15.999 27 O 0.57828086697511 0.26761200784519 0.69618450906861 15.999 28 O 0.02871688589167 0.62056555361860 0.57496546596161 15.999 29 O 0.19277216166090 0.11419245196727 0.09487883740279 15.999 30 O 0.58107356622544 0.45010613423278 0.28162736711063 15.999 31 O 0.97128311410833 0.12056555361860 0.92503453403839 15.999 32 O 0.57369667686061 0.55616930425220 0.71480467966174 15.999 33 O 0.06361272904154 0.77799575486143 0.74890695580430 15.999 34 O 0.69277216166090 0.38580754803273 0.90512116259721 15.999 35 O 0.42630332313939 0.05616930425220 0.78519532033826 15.999 36 O 0.93670196347205 0.94763189263478 0.07938868637221 15.999 37 O 0.43638727095846 0.22200424513858 0.24890695580430 15.999 38 O 0.06329803652795 0.44763189263478 0.42061131362778 15.999 39 O 0.74489802237359 0.94002229252923 0.26375381171912 15.999 40 O 0.92630332313939 0.44383069574780 0.21480467966174 15.999 41 O 0.07369667686061 0.94383069574780 0.28519532033826 15.999 42 O 0.07828086697511 0.23238799215481 0.30381549093139 15.999 43 O 0.24489802237359 0.55997770747077 0.73624618828088 15.999 44 O 0.52871688589167 0.87943444638140 0.42503453403839 15.999 45 O 0.75510197762641 0.05997770747077 0.76375381171912 15.999 46 O 0.19385198053135 0.92775772038719 0.93435354805059 15.999 47 O 0.43670196347205 0.55236810736522 0.92061131362779 15.999 48 O 0.30722783833910 0.88580754803273 0.59487883740279 15.999 49 O 0.69385198053135 0.57224227961281 0.06564645194941 15.999 50 O 0.42171913302489 0.76761200784519 0.80381549093139 15.999 51 O 0.30614801946865 0.07224227961281 0.43435354805059 15.999 52 O 0.56361272904154 0.72200424513857 0.25109304419570 15.999 53 O 0.80722783833910 0.61419245196727 0.40512116259721 15.999 54 O 0.80614801946865 0.42775772038719 0.56564645194941 15.999 55 O 0.92171913302489 0.73238799215481 0.19618450906861 15.999 56 O 0.93638727095846 0.27799575486143 0.75109304419570 15.999 57 O 0.25510197762641 0.44002229252923 0.23624618828088 15.999 58 O 0.08107356622544 0.04989386576722 0.71837263288937 15.999 59 O 0.91892643377456 0.54989386576722 0.78162736711063 15.999 60 O 0.47128311410833 0.37943444638140 0.07496546596161 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.001826280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): 1 Cs 0.38522236881913 0.78522042999103 0.89801037639230 132.905 > 1 2 Cs 0.88522236881913 0.78522042999103 0.89801037639230 132.905 > 1 3 Cs 0.13522236881913 0.71477957000897 0.10198962360770 132.905 > 3 4 Cs 0.63522236881913 0.71477957000897 0.10198962360770 132.905 > 3 5 Cs 0.46512451745952 0.89445606117957 0.52065325815717 132.905 > 5 6 Cs 0.96512451745952 0.89445606117957 0.52065325815717 132.905 > 5 7 Cs 0.21512451745952 0.60554393882043 0.47934674184283 132.905 > 7 8 Cs 0.71512451745952 0.60554393882043 0.47934674184283 132.905 > 7 9 Cs 0.03487548254048 0.39445606117957 0.97934674184283 132.905 > 9 10 Cs 0.53487548254048 0.39445606117957 0.97934674184283 132.905 > 9 11 Cs 0.28487548254048 0.10554393882043 0.02065325815717 132.905 > 11 12 Cs 0.78487548254048 0.10554393882043 0.02065325815717 132.905 > 11 13 Cs 0.36477763118087 0.21477957000897 0.39801037639230 132.905 > 13 14 Cs 0.86477763118087 0.21477957000897 0.39801037639230 132.905 > 13 15 Cs 0.11477763118087 0.28522042999103 0.60198962360770 132.905 > 15 16 Cs 0.61477763118087 0.28522042999103 0.60198962360770 132.905 > 15 17 Si 0.03870833018894 0.38769576083236 0.29121078213003 28.085 > 17 18 Si 0.53870833018894 0.38769576083236 0.29121078213003 28.085 > 17 19 Si 0.46129166981106 0.88769576083236 0.20878921786997 28.085 > 19 20 Si 0.96129166981106 0.88769576083236 0.20878921786997 28.085 > 19 21 Si 0.29177713766722 0.47276749723388 0.99107679586953 28.085 > 21 22 Si 0.79177713766722 0.47276749723388 0.99107679586953 28.085 > 21 23 Si 0.28051048312049 0.87196411807869 0.28708782241626 28.085 > 23 24 Si 0.78051048312049 0.87196411807869 0.28708782241626 28.085 > 23 25 Si 0.03051048312049 0.62803588192131 0.71291217758374 28.085 > 25 26 Si 0.53051048312049 0.62803588192131 0.71291217758374 28.085 > 25 27 Si 0.21129166981106 0.61230423916764 0.79121078213003 28.085 > 27 28 Si 0.71129166981106 0.61230423916764 0.79121078213003 28.085 > 27 29 Si 0.28870833018894 0.11230423916764 0.70878921786997 28.085 > 29 30 Si 0.78870833018894 0.11230423916764 0.70878921786997 28.085 > 29 31 Si 0.04177713766722 0.02723250276612 0.00892320413047 28.085 > 31 32 Si 0.54177713766722 0.02723250276612 0.00892320413047 28.085 > 31 33 Si 0.45822286233278 0.52723250276612 0.49107679586953 28.085 > 33 34 Si 0.95822286233278 0.52723250276612 0.49107679586953 28.085 > 33 35 Si 0.20822286233278 0.97276749723388 0.50892320413047 28.085 > 35 36 Si 0.70822286233278 0.97276749723388 0.50892320413047 28.085 > 35 37 Si 0.21948951687951 0.37196411807869 0.21291217758374 28.085 > 37 38 Si 0.71948951687951 0.37196411807869 0.21291217758374 28.085 > 37 39 Si 0.46948951687951 0.12803588192131 0.78708782241626 28.085 > 39 40 Si 0.96948951687951 0.12803588192131 0.78708782241626 28.085 > 39 41 Sn 0.12302356573926 0.08903747290850 0.26523323773993 118.710 > 41 42 Sn 0.62302356573926 0.08903747290850 0.26523323773993 118.710 > 41 43 Sn 0.37302356573926 0.41096252709150 0.73476676226007 118.710 > 43 44 Sn 0.87302356573926 0.41096252709150 0.73476676226007 118.710 > 43 45 Sn 0.37697643426074 0.58903747290850 0.23476676226007 118.710 > 45 46 Sn 0.87697643426074 0.58903747290850 0.23476676226007 118.710 > 45 47 Sn 0.12697643426074 0.91096252709150 0.76523323773993 118.710 > 47 48 Sn 0.62697643426074 0.91096252709150 0.76523323773993 118.710 > 47 49 O 0.28164901826397 0.05236810736522 0.57938868637221 15.999 > 49 50 O 0.78164901826398 0.05236810736522 0.57938868637221 15.999 > 49 51 O 0.20946321688728 0.95010613423278 0.21837263288937 15.999 > 51 52 O 0.70946321688728 0.95010613423278 0.21837263288937 15.999 > 51 53 O 0.28914043348755 0.26761200784519 0.69618450906861 15.999 > 53 54 O 0.78914043348755 0.26761200784519 0.69618450906861 15.999 > 53 55 O 0.01435844294583 0.62056555361860 0.57496546596161 15.999 > 55 56 O 0.51435844294583 0.62056555361860 0.57496546596161 15.999 > 55 57 O 0.09638608083045 0.11419245196727 0.09487883740279 15.999 > 57 58 O 0.59638608083045 0.11419245196727 0.09487883740279 15.999 > 57 59 O 0.29053678311272 0.45010613423278 0.28162736711063 15.999 > 59 60 O 0.79053678311272 0.45010613423278 0.28162736711063 15.999 > 59 61 O 0.48564155705417 0.12056555361860 0.92503453403839 15.999 > 61 62 O 0.98564155705417 0.12056555361860 0.92503453403839 15.999 > 61 63 O 0.28684833843030 0.55616930425220 0.71480467966174 15.999 > 63 64 O 0.78684833843030 0.55616930425220 0.71480467966174 15.999 > 63 65 O 0.03180636452077 0.77799575486143 0.74890695580430 15.999 > 65 66 O 0.53180636452077 0.77799575486143 0.74890695580430 15.999 > 65 67 O 0.34638608083045 0.38580754803273 0.90512116259721 15.999 > 67 68 O 0.84638608083045 0.38580754803273 0.90512116259721 15.999 > 67 69 O 0.21315166156970 0.05616930425220 0.78519532033826 15.999 > 69 70 O 0.71315166156970 0.05616930425220 0.78519532033826 15.999 > 69 71 O 0.46835098173603 0.94763189263478 0.07938868637221 15.999 > 71 72 O 0.96835098173602 0.94763189263478 0.07938868637221 15.999 > 71 73 O 0.21819363547923 0.22200424513858 0.24890695580430 15.999 > 73 74 O 0.71819363547923 0.22200424513858 0.24890695580430 15.999 > 73 75 O 0.03164901826398 0.44763189263478 0.42061131362778 15.999 > 75 76 O 0.53164901826398 0.44763189263478 0.42061131362778 15.999 > 75 77 O 0.37244901118679 0.94002229252923 0.26375381171912 15.999 > 77 78 O 0.87244901118679 0.94002229252923 0.26375381171912 15.999 > 77 79 O 0.46315166156970 0.44383069574780 0.21480467966174 15.999 > 79 80 O 0.96315166156970 0.44383069574780 0.21480467966174 15.999 > 79 81 O 0.03684833843030 0.94383069574780 0.28519532033826 15.999 > 81 82 O 0.53684833843030 0.94383069574780 0.28519532033826 15.999 > 81 83 O 0.03914043348755 0.23238799215481 0.30381549093139 15.999 > 83 84 O 0.53914043348755 0.23238799215481 0.30381549093139 15.999 > 83 85 O 0.12244901118679 0.55997770747077 0.73624618828088 15.999 > 85 86 O 0.62244901118679 0.55997770747077 0.73624618828088 15.999 > 85 87 O 0.26435844294583 0.87943444638140 0.42503453403839 15.999 > 87 88 O 0.76435844294583 0.87943444638140 0.42503453403839 15.999 > 87 89 O 0.37755098881321 0.05997770747077 0.76375381171912 15.999 > 89 90 O 0.87755098881321 0.05997770747077 0.76375381171912 15.999 > 89 91 O 0.09692599026567 0.92775772038719 0.93435354805059 15.999 > 91 92 O 0.59692599026567 0.92775772038719 0.93435354805059 15.999 > 91 93 O 0.21835098173602 0.55236810736522 0.92061131362779 15.999 > 93 94 O 0.71835098173602 0.55236810736522 0.92061131362779 15.999 > 93 95 O 0.15361391916955 0.88580754803273 0.59487883740279 15.999 > 95 96 O 0.65361391916955 0.88580754803273 0.59487883740279 15.999 > 95 97 O 0.34692599026567 0.57224227961281 0.06564645194941 15.999 > 97 98 O 0.84692599026567 0.57224227961281 0.06564645194941 15.999 > 97 99 O 0.21085956651245 0.76761200784519 0.80381549093139 15.999 > 99 100 O 0.71085956651245 0.76761200784519 0.80381549093139 15.999 > 99 101 O 0.15307400973433 0.07224227961281 0.43435354805059 15.999 > 101 102 O 0.65307400973433 0.07224227961281 0.43435354805059 15.999 > 101 103 O 0.28180636452077 0.72200424513857 0.25109304419570 15.999 > 103 104 O 0.78180636452077 0.72200424513857 0.25109304419570 15.999 > 103 105 O 0.40361391916955 0.61419245196727 0.40512116259721 15.999 > 105 106 O 0.90361391916955 0.61419245196727 0.40512116259721 15.999 > 105 107 O 0.40307400973433 0.42775772038719 0.56564645194941 15.999 > 107 108 O 0.90307400973433 0.42775772038719 0.56564645194941 15.999 > 107 109 O 0.46085956651245 0.73238799215481 0.19618450906861 15.999 > 109 110 O 0.96085956651245 0.73238799215481 0.19618450906861 15.999 > 109 111 O 0.46819363547923 0.27799575486143 0.75109304419570 15.999 > 111 112 O 0.96819363547923 0.27799575486143 0.75109304419570 15.999 > 111 113 O 0.12755098881321 0.44002229252923 0.23624618828088 15.999 > 113 114 O 0.62755098881321 0.44002229252923 0.23624618828088 15.999 > 113 115 O 0.04053678311272 0.04989386576722 0.71837263288937 15.999 > 115 116 O 0.54053678311272 0.04989386576722 0.71837263288937 15.999 > 115 117 O 0.45946321688728 0.54989386576722 0.78162736711063 15.999 > 117 118 O 0.95946321688728 0.54989386576722 0.78162736711063 15.999 > 117 119 O 0.23564155705417 0.37943444638140 0.07496546596161 15.999 > 119 120 O 0.73564155705417 0.37943444638140 0.07496546596161 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8001992 0.0000000 0.0000000 0.0000000 2.8170288 0.0000000 0.0000000 0.0000000 2.8024890 -------------------------- Born effective charges -------------------------- 1 Cs 1.3983734 0.0937891 -0.0356300 0.0888674 1.3534474 0.0020480 -0.0317355 -0.0025083 1.3238510 2 Cs 1.3983734 -0.0937891 0.0356300 -0.0888674 1.3534474 0.0020480 0.0317355 -0.0025083 1.3238510 3 Cs 1.3491448 -0.0014091 0.1604876 0.0065867 1.2528923 0.0107459 0.1653106 0.0136184 1.4836698 4 Cs 1.3491448 0.0014091 -0.1604876 -0.0065867 1.2528923 0.0107459 -0.1653106 0.0136184 1.4836698 5 Cs 1.3491448 0.0014091 0.1604876 -0.0065867 1.2528923 -0.0107459 0.1653106 -0.0136184 1.4836698 6 Cs 1.3491448 -0.0014091 -0.1604876 0.0065867 1.2528923 -0.0107459 -0.1653106 -0.0136184 1.4836698 7 Cs 1.3983734 0.0937891 0.0356300 0.0888674 1.3534474 -0.0020480 0.0317355 0.0025083 1.3238510 8 Cs 1.3983734 -0.0937891 -0.0356300 -0.0888674 1.3534474 -0.0020480 -0.0317355 0.0025083 1.3238510 9 Si 3.2883334 -0.4671191 -0.2085434 -0.4127486 3.1505771 -0.1758233 -0.2791091 0.1915273 2.9455001 10 Si 3.2883334 0.4671191 -0.2085434 0.4127486 3.1505771 0.1758233 -0.2791091 -0.1915273 2.9455001 11 Si 2.9174854 0.0120184 -0.1252313 -0.0535340 2.7942143 -0.1266027 -0.0248737 0.2651950 3.6283165 12 Si 3.2647592 -0.3802424 -0.1279862 -0.3928843 3.1779151 0.1661379 -0.1270203 0.0368946 2.8902532 13 Si 3.2647592 0.3802424 0.1279862 0.3928843 3.1779151 0.1661379 0.1270203 0.0368946 2.8902532 14 Si 3.2883334 -0.4671191 0.2085434 -0.4127486 3.1505771 0.1758233 0.2791091 -0.1915273 2.9455001 15 Si 3.2883334 0.4671191 0.2085434 0.4127486 3.1505771 -0.1758233 0.2791091 0.1915273 2.9455001 16 Si 2.9174854 -0.0120184 0.1252313 0.0535340 2.7942143 -0.1266027 0.0248737 0.2651950 3.6283165 17 Si 2.9174854 0.0120184 0.1252313 -0.0535340 2.7942143 0.1266027 0.0248737 -0.2651950 3.6283165 18 Si 2.9174854 -0.0120184 -0.1252313 0.0535340 2.7942143 0.1266027 -0.0248737 -0.2651950 3.6283165 19 Si 3.2647592 0.3802424 -0.1279862 0.3928843 3.1779151 -0.1661379 -0.1270203 -0.0368946 2.8902532 20 Si 3.2647592 -0.3802424 0.1279862 -0.3928843 3.1779151 -0.1661379 0.1270203 -0.0368946 2.8902532 21 Sn 4.0222893 -0.0241767 0.1832931 0.0002377 4.2711755 0.1059746 0.2397040 -0.0429945 3.9982470 22 Sn 4.0222893 0.0241767 -0.1832931 -0.0002377 4.2711755 0.1059746 -0.2397040 -0.0429945 3.9982470 23 Sn 4.0222893 0.0241767 0.1832931 -0.0002377 4.2711755 -0.1059746 0.2397040 0.0429945 3.9982470 24 Sn 4.0222893 -0.0241767 -0.1832931 0.0002377 4.2711755 -0.1059746 -0.2397040 0.0429945 3.9982470 25 O -1.6396850 -0.4488015 -0.3650388 -0.4743235 -1.4964410 -0.5207971 -0.3760982 -0.5750548 -2.3328439 26 O -2.0326835 0.6965407 -0.2402531 0.6545275 -1.9044121 0.1145353 -0.1796870 0.0859162 -1.5011166 27 O -1.6370032 -0.5330981 -0.1944581 -0.3767358 -2.5388879 -0.0004778 -0.2478808 -0.1936442 -1.1678460 28 O -1.4285295 -0.3391057 -0.5492339 -0.3556353 -1.5719107 -0.4692488 -0.5187128 -0.3681819 -2.4194363 29 O -1.5202624 -0.2725696 -0.4287052 -0.2716205 -1.4734132 -0.3009723 -0.4937781 -0.3550402 -2.3092612 30 O -2.0326835 -0.6965407 -0.2402531 -0.6545275 -1.9044121 -0.1145353 -0.1796870 -0.0859162 -1.5011166 31 O -1.4285295 0.3391057 -0.5492339 0.3556353 -1.5719107 0.4692488 -0.5187128 0.3681819 -2.4194363 32 O -2.1224870 0.7604453 0.2907245 0.7226803 -1.6202070 -0.2398187 0.1747632 -0.1031905 -1.5918357 33 O -1.6741781 -0.4396009 -0.0184614 -0.3917808 -2.4432212 -0.2272519 -0.0297404 -0.2618653 -1.3232153 34 O -1.5202624 0.2725696 0.4287052 0.2716205 -1.4734132 -0.3009723 0.4937781 -0.3550402 -2.3092612 35 O -2.1224870 -0.7604453 0.2907245 -0.7226803 -1.6202070 0.2398187 0.1747632 0.1031905 -1.5918357 36 O -1.6396850 -0.4488015 0.3650388 -0.4743235 -1.4964410 0.5207971 0.3760982 0.5750548 -2.3328439 37 O -1.6741781 -0.4396009 0.0184614 -0.3917808 -2.4432212 0.2272519 0.0297404 0.2618653 -1.3232153 38 O -1.6396850 0.4488015 0.3650388 0.4743235 -1.4964410 -0.5207971 0.3760982 -0.5750548 -2.3328439 39 O -2.7370157 -0.0592108 0.4467149 -0.0501219 -1.3977241 -0.1227284 0.5239433 -0.0538165 -1.2779577 40 O -2.1224870 0.7604453 -0.2907245 0.7226803 -1.6202070 0.2398187 -0.1747632 0.1031905 -1.5918357 41 O -2.1224870 -0.7604453 -0.2907245 -0.7226803 -1.6202070 -0.2398187 -0.1747632 -0.1031905 -1.5918357 42 O -1.6370032 0.5330981 0.1944581 0.3767358 -2.5388879 -0.0004778 0.2478808 -0.1936442 -1.1678460 43 O -2.7370157 0.0592108 -0.4467149 0.0501219 -1.3977241 -0.1227284 -0.5239433 -0.0538165 -1.2779577 44 O -1.4285295 0.3391057 0.5492339 0.3556353 -1.5719107 -0.4692488 0.5187128 -0.3681819 -2.4194363 45 O -2.7370157 -0.0592108 -0.4467149 -0.0501219 -1.3977241 0.1227284 -0.5239433 0.0538165 -1.2779577 46 O -1.4485412 0.3633666 0.3445079 0.3139820 -1.5540044 -0.2635493 0.4842459 -0.4423222 -2.3463249 47 O -1.6396850 0.4488015 -0.3650388 0.4743235 -1.4964410 0.5207971 -0.3760982 0.5750548 -2.3328439 48 O -1.5202624 -0.2725696 0.4287052 -0.2716205 -1.4734132 0.3009723 0.4937781 0.3550402 -2.3092612 49 O -1.4485412 -0.3633666 -0.3445079 -0.3139820 -1.5540044 -0.2635493 -0.4842459 -0.4423222 -2.3463249 50 O -1.6370032 0.5330981 -0.1944581 0.3767358 -2.5388879 0.0004778 -0.2478808 0.1936442 -1.1678460 51 O -1.4485412 0.3633666 -0.3445079 0.3139820 -1.5540044 0.2635493 -0.4842459 0.4423222 -2.3463249 52 O -1.6741781 0.4396009 0.0184614 0.3917808 -2.4432212 -0.2272519 0.0297404 -0.2618653 -1.3232153 53 O -1.5202624 0.2725696 -0.4287052 0.2716205 -1.4734132 0.3009723 -0.4937781 0.3550402 -2.3092612 54 O -1.4485412 -0.3633666 0.3445079 -0.3139820 -1.5540044 0.2635493 0.4842459 0.4423222 -2.3463249 55 O -1.6370032 -0.5330981 0.1944581 -0.3767358 -2.5388879 0.0004778 0.2478808 0.1936442 -1.1678460 56 O -1.6741781 0.4396009 -0.0184614 0.3917808 -2.4432212 0.2272519 -0.0297404 0.2618653 -1.3232153 57 O -2.7370157 0.0592108 0.4467149 0.0501219 -1.3977241 0.1227284 0.5239433 0.0538165 -1.2779577 58 O -2.0326835 0.6965407 0.2402531 0.6545275 -1.9044121 -0.1145353 0.1796870 -0.0859162 -1.5011166 59 O -2.0326835 -0.6965407 0.2402531 -0.6545275 -1.9044121 0.1145353 0.1796870 0.0859162 -1.5011166 60 O -1.4285295 -0.3391057 0.5492339 -0.3556353 -1.5719107 0.4692488 0.5187128 0.3681819 -2.4194363 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:07:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:07:28]------------------------- 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_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.000913140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): 1 Cs 0.77044473763825 0.78522042999103 0.89801037639230 132.905 2 Cs 0.27044473763825 0.71477957000897 0.10198962360770 132.905 3 Cs 0.93024903491903 0.89445606117957 0.52065325815717 132.905 4 Cs 0.43024903491903 0.60554393882043 0.47934674184283 132.905 5 Cs 0.06975096508097 0.39445606117957 0.97934674184283 132.905 6 Cs 0.56975096508097 0.10554393882043 0.02065325815717 132.905 7 Cs 0.72955526236175 0.21477957000897 0.39801037639230 132.905 8 Cs 0.22955526236175 0.28522042999103 0.60198962360770 132.905 9 Si 0.07741666037788 0.38769576083236 0.29121078213003 28.085 10 Si 0.92258333962212 0.88769576083236 0.20878921786997 28.085 11 Si 0.58355427533443 0.47276749723388 0.99107679586953 28.085 12 Si 0.56102096624097 0.87196411807869 0.28708782241626 28.085 13 Si 0.06102096624097 0.62803588192131 0.71291217758374 28.085 14 Si 0.42258333962212 0.61230423916764 0.79121078213003 28.085 15 Si 0.57741666037788 0.11230423916764 0.70878921786997 28.085 16 Si 0.08355427533443 0.02723250276612 0.00892320413047 28.085 17 Si 0.91644572466557 0.52723250276612 0.49107679586953 28.085 18 Si 0.41644572466557 0.97276749723388 0.50892320413047 28.085 19 Si 0.43897903375903 0.37196411807869 0.21291217758374 28.085 20 Si 0.93897903375903 0.12803588192131 0.78708782241626 28.085 21 Sn 0.24604713147852 0.08903747290850 0.26523323773993 118.710 22 Sn 0.74604713147852 0.41096252709150 0.73476676226007 118.710 23 Sn 0.75395286852148 0.58903747290850 0.23476676226007 118.710 24 Sn 0.25395286852148 0.91096252709150 0.76523323773993 118.710 25 O 0.56329803652795 0.05236810736522 0.57938868637221 15.999 26 O 0.41892643377456 0.95010613423278 0.21837263288937 15.999 27 O 0.57828086697511 0.26761200784519 0.69618450906861 15.999 28 O 0.02871688589167 0.62056555361860 0.57496546596161 15.999 29 O 0.19277216166090 0.11419245196727 0.09487883740279 15.999 30 O 0.58107356622544 0.45010613423278 0.28162736711063 15.999 31 O 0.97128311410833 0.12056555361860 0.92503453403839 15.999 32 O 0.57369667686061 0.55616930425220 0.71480467966174 15.999 33 O 0.06361272904154 0.77799575486143 0.74890695580430 15.999 34 O 0.69277216166090 0.38580754803273 0.90512116259721 15.999 35 O 0.42630332313939 0.05616930425220 0.78519532033826 15.999 36 O 0.93670196347205 0.94763189263478 0.07938868637221 15.999 37 O 0.43638727095846 0.22200424513858 0.24890695580430 15.999 38 O 0.06329803652795 0.44763189263478 0.42061131362778 15.999 39 O 0.74489802237359 0.94002229252923 0.26375381171912 15.999 40 O 0.92630332313939 0.44383069574780 0.21480467966174 15.999 41 O 0.07369667686061 0.94383069574780 0.28519532033826 15.999 42 O 0.07828086697511 0.23238799215481 0.30381549093139 15.999 43 O 0.24489802237359 0.55997770747077 0.73624618828088 15.999 44 O 0.52871688589167 0.87943444638140 0.42503453403839 15.999 45 O 0.75510197762641 0.05997770747077 0.76375381171912 15.999 46 O 0.19385198053135 0.92775772038719 0.93435354805059 15.999 47 O 0.43670196347205 0.55236810736522 0.92061131362779 15.999 48 O 0.30722783833910 0.88580754803273 0.59487883740279 15.999 49 O 0.69385198053135 0.57224227961281 0.06564645194941 15.999 50 O 0.42171913302489 0.76761200784519 0.80381549093139 15.999 51 O 0.30614801946865 0.07224227961281 0.43435354805059 15.999 52 O 0.56361272904154 0.72200424513857 0.25109304419570 15.999 53 O 0.80722783833910 0.61419245196727 0.40512116259721 15.999 54 O 0.80614801946865 0.42775772038719 0.56564645194941 15.999 55 O 0.92171913302489 0.73238799215481 0.19618450906861 15.999 56 O 0.93638727095846 0.27799575486143 0.75109304419570 15.999 57 O 0.25510197762641 0.44002229252923 0.23624618828088 15.999 58 O 0.08107356622544 0.04989386576722 0.71837263288937 15.999 59 O 0.91892643377456 0.54989386576722 0.78162736711063 15.999 60 O 0.47128311410833 0.37943444638140 0.07496546596161 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.001826280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.392793859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819501060000000 Atomic positions (fractional): 1 Cs 0.38522236881913 0.78522042999103 0.89801037639230 132.905 > 1 2 Cs 0.88522236881913 0.78522042999103 0.89801037639230 132.905 > 1 3 Cs 0.13522236881913 0.71477957000897 0.10198962360770 132.905 > 3 4 Cs 0.63522236881913 0.71477957000897 0.10198962360770 132.905 > 3 5 Cs 0.46512451745952 0.89445606117957 0.52065325815717 132.905 > 5 6 Cs 0.96512451745952 0.89445606117957 0.52065325815717 132.905 > 5 7 Cs 0.21512451745952 0.60554393882043 0.47934674184283 132.905 > 7 8 Cs 0.71512451745952 0.60554393882043 0.47934674184283 132.905 > 7 9 Cs 0.03487548254048 0.39445606117957 0.97934674184283 132.905 > 9 10 Cs 0.53487548254048 0.39445606117957 0.97934674184283 132.905 > 9 11 Cs 0.28487548254048 0.10554393882043 0.02065325815717 132.905 > 11 12 Cs 0.78487548254048 0.10554393882043 0.02065325815717 132.905 > 11 13 Cs 0.36477763118087 0.21477957000897 0.39801037639230 132.905 > 13 14 Cs 0.86477763118087 0.21477957000897 0.39801037639230 132.905 > 13 15 Cs 0.11477763118087 0.28522042999103 0.60198962360770 132.905 > 15 16 Cs 0.61477763118087 0.28522042999103 0.60198962360770 132.905 > 15 17 Si 0.03870833018894 0.38769576083236 0.29121078213003 28.085 > 17 18 Si 0.53870833018894 0.38769576083236 0.29121078213003 28.085 > 17 19 Si 0.46129166981106 0.88769576083236 0.20878921786997 28.085 > 19 20 Si 0.96129166981106 0.88769576083236 0.20878921786997 28.085 > 19 21 Si 0.29177713766722 0.47276749723388 0.99107679586953 28.085 > 21 22 Si 0.79177713766722 0.47276749723388 0.99107679586953 28.085 > 21 23 Si 0.28051048312049 0.87196411807869 0.28708782241626 28.085 > 23 24 Si 0.78051048312049 0.87196411807869 0.28708782241626 28.085 > 23 25 Si 0.03051048312049 0.62803588192131 0.71291217758374 28.085 > 25 26 Si 0.53051048312049 0.62803588192131 0.71291217758374 28.085 > 25 27 Si 0.21129166981106 0.61230423916764 0.79121078213003 28.085 > 27 28 Si 0.71129166981106 0.61230423916764 0.79121078213003 28.085 > 27 29 Si 0.28870833018894 0.11230423916764 0.70878921786997 28.085 > 29 30 Si 0.78870833018894 0.11230423916764 0.70878921786997 28.085 > 29 31 Si 0.04177713766722 0.02723250276612 0.00892320413047 28.085 > 31 32 Si 0.54177713766722 0.02723250276612 0.00892320413047 28.085 > 31 33 Si 0.45822286233278 0.52723250276612 0.49107679586953 28.085 > 33 34 Si 0.95822286233278 0.52723250276612 0.49107679586953 28.085 > 33 35 Si 0.20822286233278 0.97276749723388 0.50892320413047 28.085 > 35 36 Si 0.70822286233278 0.97276749723388 0.50892320413047 28.085 > 35 37 Si 0.21948951687951 0.37196411807869 0.21291217758374 28.085 > 37 38 Si 0.71948951687951 0.37196411807869 0.21291217758374 28.085 > 37 39 Si 0.46948951687951 0.12803588192131 0.78708782241626 28.085 > 39 40 Si 0.96948951687951 0.12803588192131 0.78708782241626 28.085 > 39 41 Sn 0.12302356573926 0.08903747290850 0.26523323773993 118.710 > 41 42 Sn 0.62302356573926 0.08903747290850 0.26523323773993 118.710 > 41 43 Sn 0.37302356573926 0.41096252709150 0.73476676226007 118.710 > 43 44 Sn 0.87302356573926 0.41096252709150 0.73476676226007 118.710 > 43 45 Sn 0.37697643426074 0.58903747290850 0.23476676226007 118.710 > 45 46 Sn 0.87697643426074 0.58903747290850 0.23476676226007 118.710 > 45 47 Sn 0.12697643426074 0.91096252709150 0.76523323773993 118.710 > 47 48 Sn 0.62697643426074 0.91096252709150 0.76523323773993 118.710 > 47 49 O 0.28164901826397 0.05236810736522 0.57938868637221 15.999 > 49 50 O 0.78164901826398 0.05236810736522 0.57938868637221 15.999 > 49 51 O 0.20946321688728 0.95010613423278 0.21837263288937 15.999 > 51 52 O 0.70946321688728 0.95010613423278 0.21837263288937 15.999 > 51 53 O 0.28914043348755 0.26761200784519 0.69618450906861 15.999 > 53 54 O 0.78914043348755 0.26761200784519 0.69618450906861 15.999 > 53 55 O 0.01435844294583 0.62056555361860 0.57496546596161 15.999 > 55 56 O 0.51435844294583 0.62056555361860 0.57496546596161 15.999 > 55 57 O 0.09638608083045 0.11419245196727 0.09487883740279 15.999 > 57 58 O 0.59638608083045 0.11419245196727 0.09487883740279 15.999 > 57 59 O 0.29053678311272 0.45010613423278 0.28162736711063 15.999 > 59 60 O 0.79053678311272 0.45010613423278 0.28162736711063 15.999 > 59 61 O 0.48564155705417 0.12056555361860 0.92503453403839 15.999 > 61 62 O 0.98564155705417 0.12056555361860 0.92503453403839 15.999 > 61 63 O 0.28684833843030 0.55616930425220 0.71480467966174 15.999 > 63 64 O 0.78684833843030 0.55616930425220 0.71480467966174 15.999 > 63 65 O 0.03180636452077 0.77799575486143 0.74890695580430 15.999 > 65 66 O 0.53180636452077 0.77799575486143 0.74890695580430 15.999 > 65 67 O 0.34638608083045 0.38580754803273 0.90512116259721 15.999 > 67 68 O 0.84638608083045 0.38580754803273 0.90512116259721 15.999 > 67 69 O 0.21315166156970 0.05616930425220 0.78519532033826 15.999 > 69 70 O 0.71315166156970 0.05616930425220 0.78519532033826 15.999 > 69 71 O 0.46835098173603 0.94763189263478 0.07938868637221 15.999 > 71 72 O 0.96835098173602 0.94763189263478 0.07938868637221 15.999 > 71 73 O 0.21819363547923 0.22200424513858 0.24890695580430 15.999 > 73 74 O 0.71819363547923 0.22200424513858 0.24890695580430 15.999 > 73 75 O 0.03164901826398 0.44763189263478 0.42061131362778 15.999 > 75 76 O 0.53164901826398 0.44763189263478 0.42061131362778 15.999 > 75 77 O 0.37244901118679 0.94002229252923 0.26375381171912 15.999 > 77 78 O 0.87244901118679 0.94002229252923 0.26375381171912 15.999 > 77 79 O 0.46315166156970 0.44383069574780 0.21480467966174 15.999 > 79 80 O 0.96315166156970 0.44383069574780 0.21480467966174 15.999 > 79 81 O 0.03684833843030 0.94383069574780 0.28519532033826 15.999 > 81 82 O 0.53684833843030 0.94383069574780 0.28519532033826 15.999 > 81 83 O 0.03914043348755 0.23238799215481 0.30381549093139 15.999 > 83 84 O 0.53914043348755 0.23238799215481 0.30381549093139 15.999 > 83 85 O 0.12244901118679 0.55997770747077 0.73624618828088 15.999 > 85 86 O 0.62244901118679 0.55997770747077 0.73624618828088 15.999 > 85 87 O 0.26435844294583 0.87943444638140 0.42503453403839 15.999 > 87 88 O 0.76435844294583 0.87943444638140 0.42503453403839 15.999 > 87 89 O 0.37755098881321 0.05997770747077 0.76375381171912 15.999 > 89 90 O 0.87755098881321 0.05997770747077 0.76375381171912 15.999 > 89 91 O 0.09692599026567 0.92775772038719 0.93435354805059 15.999 > 91 92 O 0.59692599026567 0.92775772038719 0.93435354805059 15.999 > 91 93 O 0.21835098173602 0.55236810736522 0.92061131362779 15.999 > 93 94 O 0.71835098173602 0.55236810736522 0.92061131362779 15.999 > 93 95 O 0.15361391916955 0.88580754803273 0.59487883740279 15.999 > 95 96 O 0.65361391916955 0.88580754803273 0.59487883740279 15.999 > 95 97 O 0.34692599026567 0.57224227961281 0.06564645194941 15.999 > 97 98 O 0.84692599026567 0.57224227961281 0.06564645194941 15.999 > 97 99 O 0.21085956651245 0.76761200784519 0.80381549093139 15.999 > 99 100 O 0.71085956651245 0.76761200784519 0.80381549093139 15.999 > 99 101 O 0.15307400973433 0.07224227961281 0.43435354805059 15.999 > 101 102 O 0.65307400973433 0.07224227961281 0.43435354805059 15.999 > 101 103 O 0.28180636452077 0.72200424513857 0.25109304419570 15.999 > 103 104 O 0.78180636452077 0.72200424513857 0.25109304419570 15.999 > 103 105 O 0.40361391916955 0.61419245196727 0.40512116259721 15.999 > 105 106 O 0.90361391916955 0.61419245196727 0.40512116259721 15.999 > 105 107 O 0.40307400973433 0.42775772038719 0.56564645194941 15.999 > 107 108 O 0.90307400973433 0.42775772038719 0.56564645194941 15.999 > 107 109 O 0.46085956651245 0.73238799215481 0.19618450906861 15.999 > 109 110 O 0.96085956651245 0.73238799215481 0.19618450906861 15.999 > 109 111 O 0.46819363547923 0.27799575486143 0.75109304419570 15.999 > 111 112 O 0.96819363547923 0.27799575486143 0.75109304419570 15.999 > 111 113 O 0.12755098881321 0.44002229252923 0.23624618828088 15.999 > 113 114 O 0.62755098881321 0.44002229252923 0.23624618828088 15.999 > 113 115 O 0.04053678311272 0.04989386576722 0.71837263288937 15.999 > 115 116 O 0.54053678311272 0.04989386576722 0.71837263288937 15.999 > 115 117 O 0.45946321688728 0.54989386576722 0.78162736711063 15.999 > 117 118 O 0.95946321688728 0.54989386576722 0.78162736711063 15.999 > 117 119 O 0.23564155705417 0.37943444638140 0.07496546596161 15.999 > 119 120 O 0.73564155705417 0.37943444638140 0.07496546596161 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8001992 0.0000000 0.0000000 0.0000000 2.8170288 0.0000000 0.0000000 0.0000000 2.8024890 -------------------------- Born effective charges -------------------------- 1 Cs 1.3983734 0.0937891 -0.0356300 0.0888674 1.3534474 0.0020480 -0.0317355 -0.0025083 1.3238510 2 Cs 1.3983734 -0.0937891 0.0356300 -0.0888674 1.3534474 0.0020480 0.0317355 -0.0025083 1.3238510 3 Cs 1.3491448 -0.0014091 0.1604876 0.0065867 1.2528923 0.0107459 0.1653106 0.0136184 1.4836698 4 Cs 1.3491448 0.0014091 -0.1604876 -0.0065867 1.2528923 0.0107459 -0.1653106 0.0136184 1.4836698 5 Cs 1.3491448 0.0014091 0.1604876 -0.0065867 1.2528923 -0.0107459 0.1653106 -0.0136184 1.4836698 6 Cs 1.3491448 -0.0014091 -0.1604876 0.0065867 1.2528923 -0.0107459 -0.1653106 -0.0136184 1.4836698 7 Cs 1.3983734 0.0937891 0.0356300 0.0888674 1.3534474 -0.0020480 0.0317355 0.0025083 1.3238510 8 Cs 1.3983734 -0.0937891 -0.0356300 -0.0888674 1.3534474 -0.0020480 -0.0317355 0.0025083 1.3238510 9 Si 3.2883334 -0.4671191 -0.2085434 -0.4127486 3.1505771 -0.1758233 -0.2791091 0.1915273 2.9455001 10 Si 3.2883334 0.4671191 -0.2085434 0.4127486 3.1505771 0.1758233 -0.2791091 -0.1915273 2.9455001 11 Si 2.9174854 0.0120184 -0.1252313 -0.0535340 2.7942143 -0.1266027 -0.0248737 0.2651950 3.6283165 12 Si 3.2647592 -0.3802424 -0.1279862 -0.3928843 3.1779151 0.1661379 -0.1270203 0.0368946 2.8902532 13 Si 3.2647592 0.3802424 0.1279862 0.3928843 3.1779151 0.1661379 0.1270203 0.0368946 2.8902532 14 Si 3.2883334 -0.4671191 0.2085434 -0.4127486 3.1505771 0.1758233 0.2791091 -0.1915273 2.9455001 15 Si 3.2883334 0.4671191 0.2085434 0.4127486 3.1505771 -0.1758233 0.2791091 0.1915273 2.9455001 16 Si 2.9174854 -0.0120184 0.1252313 0.0535340 2.7942143 -0.1266027 0.0248737 0.2651950 3.6283165 17 Si 2.9174854 0.0120184 0.1252313 -0.0535340 2.7942143 0.1266027 0.0248737 -0.2651950 3.6283165 18 Si 2.9174854 -0.0120184 -0.1252313 0.0535340 2.7942143 0.1266027 -0.0248737 -0.2651950 3.6283165 19 Si 3.2647592 0.3802424 -0.1279862 0.3928843 3.1779151 -0.1661379 -0.1270203 -0.0368946 2.8902532 20 Si 3.2647592 -0.3802424 0.1279862 -0.3928843 3.1779151 -0.1661379 0.1270203 -0.0368946 2.8902532 21 Sn 4.0222893 -0.0241767 0.1832931 0.0002377 4.2711755 0.1059746 0.2397040 -0.0429945 3.9982470 22 Sn 4.0222893 0.0241767 -0.1832931 -0.0002377 4.2711755 0.1059746 -0.2397040 -0.0429945 3.9982470 23 Sn 4.0222893 0.0241767 0.1832931 -0.0002377 4.2711755 -0.1059746 0.2397040 0.0429945 3.9982470 24 Sn 4.0222893 -0.0241767 -0.1832931 0.0002377 4.2711755 -0.1059746 -0.2397040 0.0429945 3.9982470 25 O -1.6396850 -0.4488015 -0.3650388 -0.4743235 -1.4964410 -0.5207971 -0.3760982 -0.5750548 -2.3328439 26 O -2.0326835 0.6965407 -0.2402531 0.6545275 -1.9044121 0.1145353 -0.1796870 0.0859162 -1.5011166 27 O -1.6370032 -0.5330981 -0.1944581 -0.3767358 -2.5388879 -0.0004778 -0.2478808 -0.1936442 -1.1678460 28 O -1.4285295 -0.3391057 -0.5492339 -0.3556353 -1.5719107 -0.4692488 -0.5187128 -0.3681819 -2.4194363 29 O -1.5202624 -0.2725696 -0.4287052 -0.2716205 -1.4734132 -0.3009723 -0.4937781 -0.3550402 -2.3092612 30 O -2.0326835 -0.6965407 -0.2402531 -0.6545275 -1.9044121 -0.1145353 -0.1796870 -0.0859162 -1.5011166 31 O -1.4285295 0.3391057 -0.5492339 0.3556353 -1.5719107 0.4692488 -0.5187128 0.3681819 -2.4194363 32 O -2.1224870 0.7604453 0.2907245 0.7226803 -1.6202070 -0.2398187 0.1747632 -0.1031905 -1.5918357 33 O -1.6741781 -0.4396009 -0.0184614 -0.3917808 -2.4432212 -0.2272519 -0.0297404 -0.2618653 -1.3232153 34 O -1.5202624 0.2725696 0.4287052 0.2716205 -1.4734132 -0.3009723 0.4937781 -0.3550402 -2.3092612 35 O -2.1224870 -0.7604453 0.2907245 -0.7226803 -1.6202070 0.2398187 0.1747632 0.1031905 -1.5918357 36 O -1.6396850 -0.4488015 0.3650388 -0.4743235 -1.4964410 0.5207971 0.3760982 0.5750548 -2.3328439 37 O -1.6741781 -0.4396009 0.0184614 -0.3917808 -2.4432212 0.2272519 0.0297404 0.2618653 -1.3232153 38 O -1.6396850 0.4488015 0.3650388 0.4743235 -1.4964410 -0.5207971 0.3760982 -0.5750548 -2.3328439 39 O -2.7370157 -0.0592108 0.4467149 -0.0501219 -1.3977241 -0.1227284 0.5239433 -0.0538165 -1.2779577 40 O -2.1224870 0.7604453 -0.2907245 0.7226803 -1.6202070 0.2398187 -0.1747632 0.1031905 -1.5918357 41 O -2.1224870 -0.7604453 -0.2907245 -0.7226803 -1.6202070 -0.2398187 -0.1747632 -0.1031905 -1.5918357 42 O -1.6370032 0.5330981 0.1944581 0.3767358 -2.5388879 -0.0004778 0.2478808 -0.1936442 -1.1678460 43 O -2.7370157 0.0592108 -0.4467149 0.0501219 -1.3977241 -0.1227284 -0.5239433 -0.0538165 -1.2779577 44 O -1.4285295 0.3391057 0.5492339 0.3556353 -1.5719107 -0.4692488 0.5187128 -0.3681819 -2.4194363 45 O -2.7370157 -0.0592108 -0.4467149 -0.0501219 -1.3977241 0.1227284 -0.5239433 0.0538165 -1.2779577 46 O -1.4485412 0.3633666 0.3445079 0.3139820 -1.5540044 -0.2635493 0.4842459 -0.4423222 -2.3463249 47 O -1.6396850 0.4488015 -0.3650388 0.4743235 -1.4964410 0.5207971 -0.3760982 0.5750548 -2.3328439 48 O -1.5202624 -0.2725696 0.4287052 -0.2716205 -1.4734132 0.3009723 0.4937781 0.3550402 -2.3092612 49 O -1.4485412 -0.3633666 -0.3445079 -0.3139820 -1.5540044 -0.2635493 -0.4842459 -0.4423222 -2.3463249 50 O -1.6370032 0.5330981 -0.1944581 0.3767358 -2.5388879 0.0004778 -0.2478808 0.1936442 -1.1678460 51 O -1.4485412 0.3633666 -0.3445079 0.3139820 -1.5540044 0.2635493 -0.4842459 0.4423222 -2.3463249 52 O -1.6741781 0.4396009 0.0184614 0.3917808 -2.4432212 -0.2272519 0.0297404 -0.2618653 -1.3232153 53 O -1.5202624 0.2725696 -0.4287052 0.2716205 -1.4734132 0.3009723 -0.4937781 0.3550402 -2.3092612 54 O -1.4485412 -0.3633666 0.3445079 -0.3139820 -1.5540044 0.2635493 0.4842459 0.4423222 -2.3463249 55 O -1.6370032 -0.5330981 0.1944581 -0.3767358 -2.5388879 0.0004778 0.2478808 0.1936442 -1.1678460 56 O -1.6741781 0.4396009 -0.0184614 0.3917808 -2.4432212 0.2272519 -0.0297404 0.2618653 -1.3232153 57 O -2.7370157 0.0592108 0.4467149 0.0501219 -1.3977241 0.1227284 0.5239433 0.0538165 -1.2779577 58 O -2.0326835 0.6965407 0.2402531 0.6545275 -1.9044121 -0.1145353 0.1796870 -0.0859162 -1.5011166 59 O -2.0326835 -0.6965407 0.2402531 -0.6545275 -1.9044121 0.1145353 0.1796870 0.0859162 -1.5011166 60 O -1.4285295 -0.3391057 0.5492339 -0.3556353 -1.5719107 0.4692488 0.5187128 0.3681819 -2.4194363 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 307, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.158 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.066 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.376 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 13.933 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 14.057 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 0.000) 0.000 14.543 ( 0.000 0.000 0.000) 0.000 14.576 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 14.929 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 0.000) 0.000 15.135 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.259 ( 0.000 0.000 0.000) 0.000 15.392 ( 0.000 0.000 0.000) 0.000 15.511 ( 0.000 0.000 0.000) 0.000 15.521 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.698 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 19.498 ( 0.000 0.000 0.000) 0.000 19.692 ( 0.000 0.000 0.000) 0.000 19.730 ( 0.000 0.000 0.000) 0.000 19.952 ( 0.000 0.000 0.000) 0.000 20.052 ( 0.000 0.000 0.000) 0.000 20.884 ( 0.000 0.000 0.000) 0.000 21.069 ( 0.000 0.000 0.000) 0.000 21.166 ( 0.000 0.000 0.000) 0.000 21.242 ( 0.000 0.000 0.000) 0.000 22.210 ( 0.000 0.000 0.000) 0.000 22.472 ( 0.000 0.000 0.000) 0.000 26.498 ( 0.000 0.000 0.000) 0.000 26.639 ( 0.000 0.000 0.000) 0.000 26.778 ( 0.000 0.000 0.000) 0.000 26.941 ( 0.000 0.000 0.000) 0.000 27.236 ( 0.000 0.000 0.000) 0.000 27.477 ( 0.000 0.000 0.000) 0.000 27.633 ( 0.000 0.000 0.000) 0.000 27.743 ( 0.000 0.000 0.000) 0.000 27.813 ( 0.000 0.000 0.000) 0.000 27.925 ( 0.000 0.000 0.000) 0.000 27.964 ( 0.000 0.000 0.000) 0.000 28.083 ( 0.000 0.000 0.000) 0.000 28.232 ( 0.000 0.000 0.000) 0.000 28.254 ( 0.000 0.000 0.000) 0.000 28.271 ( 0.000 0.000 0.000) 0.000 28.907 ( 0.000 0.000 0.000) 0.000 29.135 ( 0.000 0.000 0.000) 0.000 29.148 ( 0.000 0.000 0.000) 0.000 29.150 ( 0.000 0.000 0.000) 0.000 29.211 ( 0.000 0.000 0.000) 0.000 29.242 ( 0.000 0.000 0.000) 0.000 29.309 ( 0.000 0.000 0.000) 0.000 29.885 ( 0.000 0.000 0.000) 0.000 29.892 ( 0.000 0.000 0.000) 0.000 29.934 ( 0.000 0.000 0.000) 0.000 29.978 ( 0.000 0.000 0.000) 0.000 30.056 ( 0.000 0.000 0.000) 0.000 30.148 ( 0.000 0.000 0.000) 0.000 30.257 ( 0.000 0.000 0.000) 0.000 30.486 ( 0.000 0.000 0.000) 0.000 30.521 ( 0.000 0.000 0.000) 0.000 30.595 ( 0.000 0.000 0.000) 0.000 30.766 ( 0.000 0.000 0.000) 0.000 31.121 ( 0.000 0.000 0.000) 0.000 31.968 ( 0.000 0.000 0.000) 0.000 32.225 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 27.496 0.000 0.000) 27.496 0.691 ( 26.643 0.000 0.000) 26.643 0.796 ( -13.402 0.000 0.000) 13.402 1.059 ( 32.712 0.000 0.000) 32.712 1.169 ( 17.312 0.000 0.000) 17.312 1.228 ( 0.725 0.000 0.000) 0.725 1.351 ( 11.135 0.000 0.000) 11.135 1.409 ( 11.011 0.000 0.000) 11.011 1.484 ( 6.302 0.000 0.000) 6.302 1.512 ( -2.087 0.000 0.000) 2.087 1.537 ( 2.508 0.000 0.000) 2.508 1.576 ( 4.487 0.000 0.000) 4.487 1.613 ( 1.191 0.000 0.000) 1.191 1.649 ( 11.166 0.000 0.000) 11.166 1.697 ( 6.401 0.000 0.000) 6.401 1.791 ( 15.594 0.000 0.000) 15.594 1.883 ( 2.648 0.000 0.000) 2.648 1.895 ( 4.921 0.000 0.000) 4.921 1.941 ( 1.031 0.000 0.000) 1.031 2.048 ( -0.408 0.000 0.000) 0.408 2.072 ( 0.225 0.000 0.000) 0.225 2.161 ( 3.291 0.000 0.000) 3.291 2.198 ( -2.020 0.000 0.000) 2.020 2.220 ( 3.116 0.000 0.000) 3.116 2.300 ( -0.453 0.000 0.000) 0.453 2.391 ( 0.779 0.000 0.000) 0.779 2.437 ( 13.217 0.000 0.000) 13.217 2.471 ( 4.312 0.000 0.000) 4.312 2.581 ( 12.182 0.000 0.000) 12.182 2.617 ( 9.206 0.000 0.000) 9.206 2.809 ( 2.942 0.000 0.000) 2.942 2.859 ( 15.669 0.000 0.000) 15.669 2.985 ( 2.976 0.000 0.000) 2.976 3.111 ( 21.648 0.000 0.000) 21.648 3.152 ( 13.776 0.000 0.000) 13.776 3.413 ( 16.475 0.000 0.000) 16.475 3.655 ( -0.722 0.000 0.000) 0.722 3.817 ( -5.301 0.000 0.000) 5.301 4.204 ( -7.108 0.000 0.000) 7.108 4.311 ( 12.087 0.000 0.000) 12.087 4.332 ( -5.901 0.000 0.000) 5.901 4.388 ( -0.792 0.000 0.000) 0.792 4.701 ( -9.903 0.000 0.000) 9.903 4.811 ( 3.447 0.000 0.000) 3.447 4.966 ( -1.908 0.000 0.000) 1.908 5.018 ( -10.814 0.000 0.000) 10.814 5.136 ( 3.143 0.000 0.000) 3.143 5.199 ( -6.738 0.000 0.000) 6.738 5.222 ( -14.754 0.000 0.000) 14.754 5.499 ( 0.391 0.000 0.000) 0.391 5.531 ( -2.916 0.000 0.000) 2.916 5.675 ( 8.508 0.000 0.000) 8.508 5.704 ( -7.009 0.000 0.000) 7.009 5.736 ( -3.460 0.000 0.000) 3.460 5.809 ( -4.423 0.000 0.000) 4.423 5.935 ( 1.617 0.000 0.000) 1.617 5.956 ( -0.813 0.000 0.000) 0.813 5.998 ( 3.022 0.000 0.000) 3.022 6.011 ( 0.279 0.000 0.000) 0.279 6.283 ( -4.408 0.000 0.000) 4.408 6.443 ( -0.405 0.000 0.000) 0.405 6.503 ( -7.509 0.000 0.000) 7.509 6.542 ( 3.738 0.000 0.000) 3.738 6.679 ( 5.396 0.000 0.000) 5.396 6.718 ( -0.929 0.000 0.000) 0.929 6.931 ( -4.505 0.000 0.000) 4.505 7.037 ( -7.928 0.000 0.000) 7.928 7.133 ( -1.920 0.000 0.000) 1.920 7.324 ( 5.635 0.000 0.000) 5.635 7.552 ( -1.292 0.000 0.000) 1.292 7.930 ( -7.518 0.000 0.000) 7.518 8.028 ( -4.820 0.000 0.000) 4.820 8.070 ( -14.387 0.000 0.000) 14.387 8.420 ( -14.310 0.000 0.000) 14.310 8.507 ( -4.333 0.000 0.000) 4.333 8.562 ( 8.770 0.000 0.000) 8.770 8.589 ( 1.287 0.000 0.000) 1.287 8.607 ( -0.558 0.000 0.000) 0.558 8.743 ( 2.419 0.000 0.000) 2.419 8.794 ( 5.080 0.000 0.000) 5.080 8.975 ( -3.972 0.000 0.000) 3.972 9.008 ( -3.368 0.000 0.000) 3.368 9.071 ( 3.895 0.000 0.000) 3.895 9.197 ( 4.322 0.000 0.000) 4.322 9.418 ( -0.189 0.000 0.000) 0.189 9.473 ( 0.433 0.000 0.000) 0.433 9.510 ( 3.316 0.000 0.000) 3.316 9.645 ( -0.637 0.000 0.000) 0.637 9.765 ( -1.430 0.000 0.000) 1.430 9.829 ( 3.825 0.000 0.000) 3.825 9.879 ( 4.789 0.000 0.000) 4.789 9.922 ( 5.920 0.000 0.000) 5.920 9.976 ( 0.785 0.000 0.000) 0.785 10.076 ( -0.730 0.000 0.000) 0.730 10.208 ( 1.426 0.000 0.000) 1.426 10.220 ( -1.679 0.000 0.000) 1.679 10.438 ( -2.316 0.000 0.000) 2.316 10.441 ( 0.247 0.000 0.000) 0.247 11.443 ( 0.112 0.000 0.000) 0.112 11.635 ( 2.340 0.000 0.000) 2.340 11.782 ( 0.941 0.000 0.000) 0.941 11.971 ( -2.835 0.000 0.000) 2.835 13.012 ( -2.498 0.000 0.000) 2.498 13.048 ( -9.338 0.000 0.000) 9.338 13.339 ( -2.440 0.000 0.000) 2.440 13.565 ( -0.813 0.000 0.000) 0.813 13.632 ( 2.283 0.000 0.000) 2.283 13.644 ( 4.505 0.000 0.000) 4.505 13.850 ( -4.217 0.000 0.000) 4.217 13.978 ( -11.265 0.000 0.000) 11.265 14.097 ( -0.023 0.000 0.000) 0.023 14.155 ( -2.424 0.000 0.000) 2.424 14.330 ( 0.977 0.000 0.000) 0.977 14.340 ( 5.784 0.000 0.000) 5.784 14.522 ( -0.821 0.000 0.000) 0.821 14.536 ( 1.938 0.000 0.000) 1.938 14.538 ( -2.234 0.000 0.000) 2.234 14.653 ( 2.738 0.000 0.000) 2.738 14.690 ( 1.109 0.000 0.000) 1.109 14.770 ( 7.758 0.000 0.000) 7.758 15.013 ( -1.872 0.000 0.000) 1.872 15.079 ( -0.279 0.000 0.000) 0.279 15.080 ( 2.479 0.000 0.000) 2.479 15.187 ( 0.271 0.000 0.000) 0.271 15.193 ( 2.284 0.000 0.000) 2.284 15.339 ( -3.469 0.000 0.000) 3.469 15.424 ( 2.092 0.000 0.000) 2.092 15.456 ( -3.276 0.000 0.000) 3.276 15.535 ( -0.330 0.000 0.000) 0.330 15.737 ( 12.213 0.000 0.000) 12.213 15.907 ( 6.984 0.000 0.000) 6.984 16.165 ( -9.184 0.000 0.000) 9.184 19.341 ( 2.427 0.000 0.000) 2.427 19.500 ( 0.195 0.000 0.000) 0.195 19.684 ( -3.651 0.000 0.000) 3.651 19.704 ( -2.525 0.000 0.000) 2.525 19.997 ( 3.457 0.000 0.000) 3.457 20.110 ( 1.046 0.000 0.000) 1.046 20.884 ( 0.124 0.000 0.000) 0.124 21.080 ( 0.487 0.000 0.000) 0.487 21.139 ( -2.117 0.000 0.000) 2.117 21.227 ( -1.346 0.000 0.000) 1.346 22.225 ( 1.407 0.000 0.000) 1.407 22.447 ( -2.831 0.000 0.000) 2.831 26.396 ( -5.579 0.000 0.000) 5.579 26.768 ( -9.330 0.000 0.000) 9.330 26.815 ( 11.063 0.000 0.000) 11.063 26.860 ( 4.579 0.000 0.000) 4.579 27.370 ( 7.851 0.000 0.000) 7.851 27.492 ( 0.945 0.000 0.000) 0.945 27.639 ( 0.904 0.000 0.000) 0.904 27.745 ( -4.548 0.000 0.000) 4.548 27.994 ( 5.728 0.000 0.000) 5.728 28.011 ( 3.103 0.000 0.000) 3.103 28.084 ( 0.080 0.000 0.000) 0.080 28.186 ( 0.727 0.000 0.000) 0.727 28.275 ( 2.919 0.000 0.000) 2.919 28.377 ( 6.793 0.000 0.000) 6.793 28.630 ( -4.026 0.000 0.000) 4.026 28.897 ( -1.555 0.000 0.000) 1.555 29.090 ( -5.904 0.000 0.000) 5.904 29.093 ( -5.078 0.000 0.000) 5.078 29.127 ( -6.776 0.000 0.000) 6.776 29.130 ( -0.797 0.000 0.000) 0.797 29.289 ( -0.701 0.000 0.000) 0.701 29.680 ( -9.831 0.000 0.000) 9.831 29.894 ( -0.767 0.000 0.000) 0.767 29.905 ( 1.186 0.000 0.000) 1.186 30.008 ( 2.665 0.000 0.000) 2.665 30.078 ( 5.991 0.000 0.000) 5.991 30.126 ( -0.282 0.000 0.000) 0.282 30.286 ( 2.325 0.000 0.000) 2.325 30.481 ( -0.230 0.000 0.000) 0.230 30.519 ( -4.151 0.000 0.000) 4.151 30.571 ( 3.576 0.000 0.000) 3.576 30.719 ( 3.704 0.000 0.000) 3.704 31.258 ( 11.650 0.000 0.000) 11.650 31.347 ( 1.865 0.000 0.000) 1.865 31.903 ( -5.860 0.000 0.000) 5.860 32.160 ( -5.954 0.000 0.000) 5.954 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 3.988 0.000 0.000) 3.988 0.971 ( 4.168 0.000 0.000) 4.168 1.124 ( 15.067 0.000 0.000) 15.067 1.251 ( 1.318 0.000 0.000) 1.318 1.358 ( 3.682 0.000 0.000) 3.682 1.372 ( 5.789 0.000 0.000) 5.789 1.428 ( 0.029 0.000 0.000) 0.029 1.454 ( -1.472 0.000 0.000) 1.472 1.472 ( -1.189 0.000 0.000) 1.189 1.588 ( 1.072 0.000 0.000) 1.072 1.592 ( 0.871 0.000 0.000) 0.871 1.623 ( 0.331 0.000 0.000) 0.331 1.678 ( 5.223 0.000 0.000) 5.223 1.846 ( 3.199 0.000 0.000) 3.199 1.908 ( 0.933 0.000 0.000) 0.933 1.961 ( 1.123 0.000 0.000) 1.123 1.976 ( 7.632 0.000 0.000) 7.632 2.024 ( 3.650 0.000 0.000) 3.650 2.051 ( 1.456 0.000 0.000) 1.456 2.073 ( 11.080 0.000 0.000) 11.080 2.106 ( 4.906 0.000 0.000) 4.906 2.149 ( -1.593 0.000 0.000) 1.593 2.208 ( 0.944 0.000 0.000) 0.944 2.258 ( 1.026 0.000 0.000) 1.026 2.300 ( 0.642 0.000 0.000) 0.642 2.447 ( 0.790 0.000 0.000) 0.790 2.595 ( 11.062 0.000 0.000) 11.062 2.805 ( 5.715 0.000 0.000) 5.715 2.809 ( 6.654 0.000 0.000) 6.654 2.845 ( 22.358 0.000 0.000) 22.358 3.046 ( 12.594 0.000 0.000) 12.594 3.172 ( 30.940 0.000 0.000) 30.940 3.365 ( 11.008 0.000 0.000) 11.008 3.463 ( 5.893 0.000 0.000) 5.893 3.570 ( 25.015 0.000 0.000) 25.015 3.656 ( -6.949 0.000 0.000) 6.949 3.679 ( 13.776 0.000 0.000) 13.776 3.981 ( 18.318 0.000 0.000) 18.318 4.031 ( -7.434 0.000 0.000) 7.434 4.175 ( -9.380 0.000 0.000) 9.380 4.204 ( -4.859 0.000 0.000) 4.859 4.351 ( -7.512 0.000 0.000) 7.512 4.586 ( -1.887 0.000 0.000) 1.887 4.784 ( -17.381 0.000 0.000) 17.381 4.860 ( -21.272 0.000 0.000) 21.272 4.885 ( -2.246 0.000 0.000) 2.246 5.003 ( 4.169 0.000 0.000) 4.169 5.052 ( 3.103 0.000 0.000) 3.103 5.281 ( 13.673 0.000 0.000) 13.673 5.450 ( 0.287 0.000 0.000) 0.287 5.494 ( 0.884 0.000 0.000) 0.884 5.673 ( -6.705 0.000 0.000) 6.705 5.690 ( 5.223 0.000 0.000) 5.223 5.778 ( 3.954 0.000 0.000) 3.954 5.842 ( 4.216 0.000 0.000) 4.216 5.898 ( -5.128 0.000 0.000) 5.128 5.965 ( 2.757 0.000 0.000) 2.757 5.975 ( -1.988 0.000 0.000) 1.988 6.073 ( 3.094 0.000 0.000) 3.094 6.160 ( -5.981 0.000 0.000) 5.981 6.352 ( -7.833 0.000 0.000) 7.833 6.398 ( -5.663 0.000 0.000) 5.663 6.580 ( -1.061 0.000 0.000) 1.061 6.710 ( 4.170 0.000 0.000) 4.170 6.741 ( -2.522 0.000 0.000) 2.522 6.845 ( -5.810 0.000 0.000) 5.810 6.924 ( 2.825 0.000 0.000) 2.825 7.086 ( -2.495 0.000 0.000) 2.495 7.418 ( -1.009 0.000 0.000) 1.009 7.444 ( -9.519 0.000 0.000) 9.519 7.727 ( -11.515 0.000 0.000) 11.515 7.754 ( -13.956 0.000 0.000) 13.956 7.800 ( -8.025 0.000 0.000) 8.025 8.054 ( -14.441 0.000 0.000) 14.441 8.522 ( 3.175 0.000 0.000) 3.175 8.608 ( 0.746 0.000 0.000) 0.746 8.616 ( 0.565 0.000 0.000) 0.565 8.738 ( -1.828 0.000 0.000) 1.828 8.790 ( 3.457 0.000 0.000) 3.457 8.874 ( 1.700 0.000 0.000) 1.700 8.914 ( 3.929 0.000 0.000) 3.929 8.991 ( 1.566 0.000 0.000) 1.566 9.178 ( 5.718 0.000 0.000) 5.718 9.309 ( 5.860 0.000 0.000) 5.860 9.405 ( -0.793 0.000 0.000) 0.793 9.528 ( -1.401 0.000 0.000) 1.401 9.531 ( 3.680 0.000 0.000) 3.680 9.615 ( -1.970 0.000 0.000) 1.970 9.724 ( -1.372 0.000 0.000) 1.372 9.857 ( -2.387 0.000 0.000) 2.387 9.936 ( 1.731 0.000 0.000) 1.731 10.007 ( 2.534 0.000 0.000) 2.534 10.076 ( 4.431 0.000 0.000) 4.431 10.077 ( 0.498 0.000 0.000) 0.498 10.195 ( 1.053 0.000 0.000) 1.053 10.254 ( 2.266 0.000 0.000) 2.266 10.389 ( -1.328 0.000 0.000) 1.328 10.437 ( -0.827 0.000 0.000) 0.827 11.483 ( 4.250 0.000 0.000) 4.250 11.680 ( 0.681 0.000 0.000) 0.681 11.808 ( 1.489 0.000 0.000) 1.489 11.891 ( -4.162 0.000 0.000) 4.162 12.894 ( -4.640 0.000 0.000) 4.640 12.936 ( -4.454 0.000 0.000) 4.454 13.315 ( 0.830 0.000 0.000) 0.830 13.504 ( -5.334 0.000 0.000) 5.334 13.596 ( -3.625 0.000 0.000) 3.625 13.645 ( -5.542 0.000 0.000) 5.542 13.861 ( 4.187 0.000 0.000) 4.187 13.867 ( 2.530 0.000 0.000) 2.530 14.067 ( -2.120 0.000 0.000) 2.120 14.092 ( -3.359 0.000 0.000) 3.359 14.367 ( 2.604 0.000 0.000) 2.604 14.426 ( 1.818 0.000 0.000) 1.818 14.485 ( -1.836 0.000 0.000) 1.836 14.491 ( -2.419 0.000 0.000) 2.419 14.571 ( 1.230 0.000 0.000) 1.230 14.643 ( -1.646 0.000 0.000) 1.646 14.806 ( 7.399 0.000 0.000) 7.399 14.942 ( 7.543 0.000 0.000) 7.543 14.995 ( -0.581 0.000 0.000) 0.581 15.075 ( -0.179 0.000 0.000) 0.179 15.130 ( 1.709 0.000 0.000) 1.709 15.192 ( -1.833 0.000 0.000) 1.833 15.195 ( 0.363 0.000 0.000) 0.363 15.267 ( -3.667 0.000 0.000) 3.667 15.383 ( -0.123 0.000 0.000) 0.123 15.512 ( -2.154 0.000 0.000) 2.154 15.544 ( 6.979 0.000 0.000) 6.979 15.912 ( -6.578 0.000 0.000) 6.578 16.009 ( 4.918 0.000 0.000) 4.918 16.049 ( 5.636 0.000 0.000) 5.636 19.403 ( 3.351 0.000 0.000) 3.351 19.505 ( 0.104 0.000 0.000) 0.104 19.603 ( -3.535 0.000 0.000) 3.535 19.637 ( -3.512 0.000 0.000) 3.512 20.069 ( 3.160 0.000 0.000) 3.160 20.129 ( 0.418 0.000 0.000) 0.418 20.899 ( 1.555 0.000 0.000) 1.555 21.038 ( -4.056 0.000 0.000) 4.056 21.131 ( 1.144 0.000 0.000) 1.144 21.193 ( -1.749 0.000 0.000) 1.749 22.264 ( 2.282 0.000 0.000) 2.282 22.379 ( -3.282 0.000 0.000) 3.282 26.335 ( -0.019 0.000 0.000) 0.019 26.554 ( -9.516 0.000 0.000) 9.516 27.019 ( 8.759 0.000 0.000) 8.759 27.040 ( 9.747 0.000 0.000) 9.747 27.443 ( -1.031 0.000 0.000) 1.031 27.474 ( -3.654 0.000 0.000) 3.654 27.670 ( -1.324 0.000 0.000) 1.324 27.679 ( 1.805 0.000 0.000) 1.805 28.053 ( 1.122 0.000 0.000) 1.122 28.082 ( -0.362 0.000 0.000) 0.362 28.126 ( 7.131 0.000 0.000) 7.131 28.284 ( 7.792 0.000 0.000) 7.792 28.420 ( 10.746 0.000 0.000) 10.746 28.472 ( -3.501 0.000 0.000) 3.501 28.577 ( 5.221 0.000 0.000) 5.221 28.768 ( -10.932 0.000 0.000) 10.932 28.937 ( -9.780 0.000 0.000) 9.780 28.938 ( -7.730 0.000 0.000) 7.730 29.039 ( -0.709 0.000 0.000) 0.709 29.106 ( -1.625 0.000 0.000) 1.625 29.291 ( 1.021 0.000 0.000) 1.021 29.479 ( -8.603 0.000 0.000) 8.603 29.885 ( -0.111 0.000 0.000) 0.111 29.908 ( -0.784 0.000 0.000) 0.784 30.077 ( 3.620 0.000 0.000) 3.620 30.161 ( 1.530 0.000 0.000) 1.530 30.177 ( 4.618 0.000 0.000) 4.618 30.324 ( 0.314 0.000 0.000) 0.314 30.455 ( -1.278 0.000 0.000) 1.278 30.479 ( -0.147 0.000 0.000) 0.147 30.646 ( 3.661 0.000 0.000) 3.661 30.760 ( -0.062 0.000 0.000) 0.062 31.417 ( 5.011 0.000 0.000) 5.011 31.529 ( 12.798 0.000 0.000) 12.798 31.746 ( -8.334 0.000 0.000) 8.334 31.999 ( -9.032 0.000 0.000) 9.032 ======================= Grid point 3 (4/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -11.530 0.000 0.000) 11.530 0.857 ( 11.530 0.000 0.000) 11.530 1.266 ( -0.710 0.000 0.000) 0.710 1.266 ( 0.710 0.000 0.000) 0.710 1.402 ( -1.205 0.000 0.000) 1.205 1.402 ( 1.205 0.000 0.000) 1.205 1.438 ( -1.635 0.000 0.000) 1.635 1.438 ( 1.635 0.000 0.000) 1.635 1.548 ( -6.178 0.000 0.000) 6.178 1.548 ( 6.178 0.000 0.000) 6.178 1.600 ( -0.584 0.000 0.000) 0.584 1.600 ( 0.584 0.000 0.000) 0.584 1.796 ( -5.211 0.000 0.000) 5.211 1.796 ( 5.211 0.000 0.000) 5.211 1.947 ( -1.955 0.000 0.000) 1.955 1.947 ( 1.955 0.000 0.000) 1.955 2.039 ( -1.041 0.000 0.000) 1.041 2.039 ( 1.041 0.000 0.000) 1.041 2.093 ( -3.408 0.000 0.000) 3.408 2.093 ( 3.408 0.000 0.000) 3.408 2.181 ( -1.808 0.000 0.000) 1.808 2.181 ( 1.808 0.000 0.000) 1.808 2.264 ( -1.661 0.000 0.000) 1.661 2.264 ( 1.661 0.000 0.000) 1.661 2.366 ( -6.246 0.000 0.000) 6.246 2.366 ( 6.246 0.000 0.000) 6.246 2.805 ( -5.369 0.000 0.000) 5.369 2.805 ( 5.369 0.000 0.000) 5.369 3.044 ( -12.772 0.000 0.000) 12.772 3.044 ( 12.772 0.000 0.000) 12.772 3.309 ( -10.811 0.000 0.000) 10.811 3.309 ( 10.811 0.000 0.000) 10.811 3.535 ( -20.183 0.000 0.000) 20.183 3.535 ( 20.183 0.000 0.000) 20.183 3.759 ( -11.055 0.000 0.000) 11.055 3.759 ( 11.055 0.000 0.000) 11.055 3.842 ( -13.612 0.000 0.000) 13.612 3.842 ( 13.612 0.000 0.000) 13.612 4.126 ( -22.937 0.000 0.000) 22.937 4.126 ( 22.937 0.000 0.000) 22.937 4.308 ( -22.057 0.000 0.000) 22.057 4.308 ( 22.057 0.000 0.000) 22.057 4.410 ( -7.017 0.000 0.000) 7.017 4.410 ( 7.017 0.000 0.000) 7.017 4.793 ( -15.719 0.000 0.000) 15.719 4.793 ( 15.719 0.000 0.000) 15.719 5.067 ( -3.025 0.000 0.000) 3.025 5.067 ( 3.025 0.000 0.000) 3.025 5.486 ( -4.859 0.000 0.000) 4.859 5.486 ( 4.859 0.000 0.000) 4.859 5.672 ( -15.572 0.000 0.000) 15.572 5.672 ( 15.572 0.000 0.000) 15.572 5.727 ( -10.363 0.000 0.000) 10.363 5.727 ( 10.363 0.000 0.000) 10.363 5.833 ( -5.014 0.000 0.000) 5.014 5.833 ( 5.014 0.000 0.000) 5.014 5.969 ( -2.408 0.000 0.000) 2.408 5.969 ( 2.408 0.000 0.000) 2.408 6.084 ( -0.204 0.000 0.000) 0.204 6.084 ( 0.204 0.000 0.000) 0.204 6.284 ( -2.720 0.000 0.000) 2.720 6.284 ( 2.720 0.000 0.000) 2.720 6.615 ( -5.242 0.000 0.000) 5.242 6.615 ( 5.242 0.000 0.000) 5.242 6.806 ( -2.604 0.000 0.000) 2.604 6.806 ( 2.604 0.000 0.000) 2.604 7.016 ( -5.011 0.000 0.000) 5.011 7.016 ( 5.011 0.000 0.000) 5.011 7.328 ( -2.215 0.000 0.000) 2.215 7.328 ( 2.215 0.000 0.000) 2.215 7.526 ( -2.982 0.000 0.000) 2.982 7.526 ( 2.982 0.000 0.000) 2.982 7.875 ( -6.046 0.000 0.000) 6.046 7.875 ( 6.046 0.000 0.000) 6.046 8.600 ( -5.733 0.000 0.000) 5.733 8.600 ( 5.733 0.000 0.000) 5.733 8.622 ( -0.310 0.000 0.000) 0.310 8.622 ( 0.310 0.000 0.000) 0.310 8.866 ( -2.248 0.000 0.000) 2.248 8.866 ( 2.248 0.000 0.000) 2.248 9.006 ( -1.674 0.000 0.000) 1.674 9.006 ( 1.674 0.000 0.000) 1.674 9.309 ( -5.762 0.000 0.000) 5.762 9.309 ( 5.762 0.000 0.000) 5.762 9.457 ( -4.995 0.000 0.000) 4.995 9.457 ( 4.995 0.000 0.000) 4.995 9.580 ( -1.361 0.000 0.000) 1.361 9.580 ( 1.361 0.000 0.000) 1.361 9.767 ( -4.967 0.000 0.000) 4.967 9.767 ( 4.967 0.000 0.000) 4.967 9.991 ( -3.107 0.000 0.000) 3.107 9.991 ( 3.107 0.000 0.000) 3.107 10.089 ( -0.727 0.000 0.000) 0.727 10.089 ( 0.727 0.000 0.000) 0.727 10.261 ( -2.203 0.000 0.000) 2.203 10.261 ( 2.203 0.000 0.000) 2.203 10.404 ( -2.030 0.000 0.000) 2.030 10.404 ( 2.030 0.000 0.000) 2.030 11.610 ( -6.655 0.000 0.000) 6.655 11.610 ( 6.655 0.000 0.000) 6.655 11.837 ( -1.286 0.000 0.000) 1.286 11.837 ( 1.286 0.000 0.000) 1.286 12.863 ( -1.571 0.000 0.000) 1.571 12.863 ( 1.571 0.000 0.000) 1.571 13.381 ( -5.179 0.000 0.000) 5.179 13.381 ( 5.179 0.000 0.000) 5.179 13.562 ( -1.011 0.000 0.000) 1.011 13.562 ( 1.011 0.000 0.000) 1.011 13.927 ( -0.150 0.000 0.000) 0.150 13.927 ( 0.150 0.000 0.000) 0.150 14.035 ( -0.662 0.000 0.000) 0.662 14.035 ( 0.662 0.000 0.000) 0.662 14.428 ( -2.682 0.000 0.000) 2.682 14.428 ( 2.682 0.000 0.000) 2.682 14.455 ( -0.710 0.000 0.000) 0.710 14.455 ( 0.710 0.000 0.000) 0.710 14.602 ( -1.903 0.000 0.000) 1.903 14.602 ( 1.903 0.000 0.000) 1.903 14.946 ( -4.936 0.000 0.000) 4.936 14.946 ( 4.936 0.000 0.000) 4.936 15.053 ( -2.852 0.000 0.000) 2.852 15.053 ( 2.852 0.000 0.000) 2.852 15.153 ( -1.266 0.000 0.000) 1.266 15.153 ( 1.266 0.000 0.000) 1.266 15.203 ( -1.435 0.000 0.000) 1.435 15.203 ( 1.435 0.000 0.000) 1.435 15.443 ( -4.213 0.000 0.000) 4.213 15.443 ( 4.213 0.000 0.000) 4.213 15.714 ( -9.214 0.000 0.000) 9.214 15.714 ( 9.214 0.000 0.000) 9.214 16.105 ( -0.955 0.000 0.000) 0.955 16.105 ( 0.955 0.000 0.000) 0.955 19.475 ( -3.165 0.000 0.000) 3.165 19.475 ( 3.165 0.000 0.000) 3.165 19.578 ( -1.539 0.000 0.000) 1.539 19.578 ( 1.539 0.000 0.000) 1.539 20.119 ( -1.469 0.000 0.000) 1.469 20.119 ( 1.469 0.000 0.000) 1.469 20.953 ( -3.572 0.000 0.000) 3.572 20.953 ( 3.572 0.000 0.000) 3.572 21.159 ( -1.460 0.000 0.000) 1.460 21.159 ( 1.460 0.000 0.000) 1.460 22.317 ( -2.731 0.000 0.000) 2.731 22.317 ( 2.731 0.000 0.000) 2.731 26.394 ( -5.493 0.000 0.000) 5.493 26.394 ( 5.493 0.000 0.000) 5.493 27.155 ( -1.357 0.000 0.000) 1.357 27.155 ( 1.357 0.000 0.000) 1.357 27.401 ( -0.072 0.000 0.000) 0.072 27.401 ( 0.072 0.000 0.000) 0.072 27.680 ( -1.160 0.000 0.000) 1.160 27.680 ( 1.160 0.000 0.000) 1.160 28.071 ( -0.659 0.000 0.000) 0.659 28.071 ( 0.659 0.000 0.000) 0.659 28.297 ( -8.349 0.000 0.000) 8.349 28.297 ( 8.349 0.000 0.000) 8.349 28.507 ( -9.970 0.000 0.000) 9.970 28.507 ( 9.970 0.000 0.000) 9.970 28.697 ( -11.541 0.000 0.000) 11.541 28.697 ( 11.541 0.000 0.000) 11.541 28.756 ( -8.967 0.000 0.000) 8.967 28.756 ( 8.967 0.000 0.000) 8.967 29.065 ( -2.106 0.000 0.000) 2.106 29.065 ( 2.106 0.000 0.000) 2.106 29.343 ( -4.321 0.000 0.000) 4.321 29.343 ( 4.321 0.000 0.000) 4.321 29.890 ( -0.661 0.000 0.000) 0.661 29.890 ( 0.661 0.000 0.000) 0.661 30.145 ( -2.546 0.000 0.000) 2.546 30.145 ( 2.546 0.000 0.000) 2.546 30.278 ( -4.230 0.000 0.000) 4.230 30.278 ( 4.230 0.000 0.000) 4.230 30.466 ( -1.185 0.000 0.000) 1.185 30.466 ( 1.185 0.000 0.000) 1.185 30.721 ( -3.211 0.000 0.000) 3.211 30.721 ( 3.211 0.000 0.000) 3.211 31.554 ( -7.764 0.000 0.000) 7.764 31.554 ( 7.764 0.000 0.000) 7.764 31.794 ( -10.626 0.000 0.000) 10.626 31.794 ( 10.626 0.000 0.000) 10.626 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 18.862 0.000) 18.862 0.596 ( 0.000 30.507 0.000) 30.507 0.879 ( 0.000 -5.301 0.000) 5.301 0.991 ( 0.000 42.033 0.000) 42.033 1.013 ( 0.000 17.163 0.000) 17.163 1.210 ( 0.000 2.920 0.000) 2.920 1.247 ( 0.000 12.992 0.000) 12.992 1.285 ( 0.000 4.445 0.000) 4.445 1.427 ( 0.000 2.447 0.000) 2.447 1.513 ( 0.000 0.163 0.000) 0.163 1.531 ( 0.000 0.200 0.000) 0.200 1.571 ( 0.000 3.044 0.000) 3.044 1.590 ( 0.000 4.140 0.000) 4.140 1.613 ( 0.000 -0.681 0.000) 0.681 1.621 ( 0.000 2.742 0.000) 2.742 1.763 ( 0.000 7.899 0.000) 7.899 1.819 ( 0.000 0.499 0.000) 0.499 1.841 ( 0.000 -0.788 0.000) 0.788 1.882 ( 0.000 -4.958 0.000) 4.958 2.045 ( 0.000 -3.269 0.000) 3.269 2.059 ( 0.000 0.826 0.000) 0.826 2.143 ( 0.000 0.349 0.000) 0.349 2.199 ( 0.000 0.885 0.000) 0.885 2.233 ( 0.000 -2.104 0.000) 2.104 2.320 ( 0.000 0.726 0.000) 0.726 2.344 ( 0.000 1.339 0.000) 1.339 2.413 ( 0.000 4.548 0.000) 4.548 2.488 ( 0.000 10.108 0.000) 10.108 2.595 ( 0.000 4.415 0.000) 4.415 2.604 ( 0.000 4.548 0.000) 4.548 2.716 ( 0.000 2.252 0.000) 2.252 2.808 ( 0.000 -1.165 0.000) 1.165 2.919 ( 0.000 21.983 0.000) 21.983 3.032 ( 0.000 6.224 0.000) 6.224 3.068 ( 0.000 0.823 0.000) 0.823 3.227 ( 0.000 10.099 0.000) 10.099 3.704 ( 0.000 -2.229 0.000) 2.229 3.820 ( 0.000 -4.347 0.000) 4.347 4.019 ( 0.000 -19.361 0.000) 19.361 4.108 ( 0.000 -5.039 0.000) 5.039 4.341 ( 0.000 -5.151 0.000) 5.151 4.398 ( 0.000 0.193 0.000) 0.193 4.627 ( 0.000 -22.770 0.000) 22.770 4.705 ( 0.000 -6.511 0.000) 6.511 4.877 ( 0.000 -14.018 0.000) 14.018 4.920 ( 0.000 -8.530 0.000) 8.530 5.149 ( 0.000 -4.507 0.000) 4.507 5.164 ( 0.000 -17.358 0.000) 17.358 5.289 ( 0.000 2.660 0.000) 2.660 5.397 ( 0.000 -4.554 0.000) 4.554 5.515 ( 0.000 -3.902 0.000) 3.902 5.585 ( 0.000 0.503 0.000) 0.503 5.780 ( 0.000 -1.526 0.000) 1.526 5.790 ( 0.000 0.256 0.000) 0.256 5.900 ( 0.000 4.066 0.000) 4.066 5.902 ( 0.000 5.654 0.000) 5.654 5.957 ( 0.000 1.793 0.000) 1.793 6.026 ( 0.000 -2.082 0.000) 2.082 6.128 ( 0.000 -1.511 0.000) 1.511 6.267 ( 0.000 -1.225 0.000) 1.225 6.476 ( 0.000 -0.167 0.000) 0.167 6.550 ( 0.000 2.576 0.000) 2.576 6.571 ( 0.000 -1.738 0.000) 1.738 6.697 ( 0.000 0.025 0.000) 0.025 6.824 ( 0.000 1.750 0.000) 1.750 6.969 ( 0.000 -2.888 0.000) 2.888 7.194 ( 0.000 6.564 0.000) 6.564 7.212 ( 0.000 5.311 0.000) 5.311 7.226 ( 0.000 5.870 0.000) 5.870 7.531 ( 0.000 -1.924 0.000) 1.924 7.947 ( 0.000 3.049 0.000) 3.049 8.214 ( 0.000 -4.825 0.000) 4.825 8.245 ( 0.000 10.372 0.000) 10.372 8.396 ( 0.000 -0.972 0.000) 0.972 8.523 ( 0.000 -1.694 0.000) 1.694 8.637 ( 0.000 3.617 0.000) 3.617 8.686 ( 0.000 1.562 0.000) 1.562 8.753 ( 0.000 2.032 0.000) 2.032 8.778 ( 0.000 5.506 0.000) 5.506 8.833 ( 0.000 4.808 0.000) 4.808 8.994 ( 0.000 2.457 0.000) 2.457 9.038 ( 0.000 -2.367 0.000) 2.367 9.120 ( 0.000 -2.985 0.000) 2.985 9.161 ( 0.000 1.158 0.000) 1.158 9.381 ( 0.000 -4.151 0.000) 4.151 9.471 ( 0.000 1.871 0.000) 1.871 9.535 ( 0.000 -3.555 0.000) 3.555 9.599 ( 0.000 2.850 0.000) 2.850 9.719 ( 0.000 -3.315 0.000) 3.315 9.805 ( 0.000 1.773 0.000) 1.773 9.816 ( 0.000 1.243 0.000) 1.243 9.869 ( 0.000 0.395 0.000) 0.395 9.995 ( 0.000 2.369 0.000) 2.369 10.077 ( 0.000 -1.114 0.000) 1.114 10.103 ( 0.000 1.563 0.000) 1.563 10.243 ( 0.000 -0.081 0.000) 0.081 10.454 ( 0.000 1.445 0.000) 1.445 10.463 ( 0.000 0.264 0.000) 0.264 11.455 ( 0.000 0.901 0.000) 0.901 11.620 ( 0.000 0.948 0.000) 0.948 11.788 ( 0.000 -1.734 0.000) 1.734 11.855 ( 0.000 -6.362 0.000) 6.362 13.043 ( 0.000 0.026 0.000) 0.026 13.106 ( 0.000 -5.784 0.000) 5.784 13.363 ( 0.000 -0.491 0.000) 0.491 13.524 ( 0.000 -1.732 0.000) 1.732 13.610 ( 0.000 4.079 0.000) 4.079 13.623 ( 0.000 2.098 0.000) 2.098 13.958 ( 0.000 2.227 0.000) 2.227 14.011 ( 0.000 1.915 0.000) 1.915 14.077 ( 0.000 -2.012 0.000) 2.012 14.141 ( 0.000 -0.544 0.000) 0.544 14.252 ( 0.000 -2.468 0.000) 2.468 14.324 ( 0.000 -0.584 0.000) 0.584 14.484 ( 0.000 -2.386 0.000) 2.386 14.508 ( 0.000 2.747 0.000) 2.747 14.637 ( 0.000 3.546 0.000) 3.546 14.637 ( 0.000 -2.321 0.000) 2.321 14.699 ( 0.000 -0.182 0.000) 0.182 14.930 ( 0.000 -0.445 0.000) 0.445 15.050 ( 0.000 -0.528 0.000) 0.528 15.060 ( 0.000 0.919 0.000) 0.919 15.078 ( 0.000 0.427 0.000) 0.427 15.140 ( 0.000 0.417 0.000) 0.417 15.142 ( 0.000 -3.445 0.000) 3.445 15.271 ( 0.000 -1.145 0.000) 1.145 15.381 ( 0.000 -6.236 0.000) 6.236 15.392 ( 0.000 -2.101 0.000) 2.101 15.572 ( 0.000 2.229 0.000) 2.229 15.617 ( 0.000 4.495 0.000) 4.495 15.739 ( 0.000 2.484 0.000) 2.484 15.788 ( 0.000 -2.551 0.000) 2.551 19.350 ( 0.000 3.589 0.000) 3.589 19.531 ( 0.000 2.827 0.000) 2.827 19.639 ( 0.000 -4.247 0.000) 4.247 19.737 ( 0.000 -0.535 0.000) 0.535 19.958 ( 0.000 -0.333 0.000) 0.333 20.021 ( 0.000 -2.722 0.000) 2.722 20.935 ( 0.000 4.631 0.000) 4.631 21.079 ( 0.000 0.974 0.000) 0.974 21.157 ( 0.000 -0.954 0.000) 0.954 21.220 ( 0.000 -2.075 0.000) 2.075 22.478 ( 0.000 0.516 0.000) 0.516 22.498 ( 0.000 -0.017 0.000) 0.017 26.518 ( 0.000 2.139 0.000) 2.139 26.660 ( 0.000 1.877 0.000) 1.877 26.809 ( 0.000 2.892 0.000) 2.892 26.894 ( 0.000 -5.352 0.000) 5.352 27.159 ( 0.000 -5.949 0.000) 5.949 27.368 ( 0.000 -9.082 0.000) 9.082 27.757 ( 0.000 0.480 0.000) 0.480 27.816 ( 0.000 -2.259 0.000) 2.259 27.927 ( 0.000 10.360 0.000) 10.360 28.013 ( 0.000 2.810 0.000) 2.810 28.084 ( 0.000 0.263 0.000) 0.263 28.165 ( 0.000 3.419 0.000) 3.419 28.249 ( 0.000 2.220 0.000) 2.220 28.373 ( 0.000 10.470 0.000) 10.470 28.412 ( 0.000 9.091 0.000) 9.091 28.923 ( 0.000 1.135 0.000) 1.135 29.000 ( 0.000 -13.543 0.000) 13.543 29.131 ( 0.000 -0.657 0.000) 0.657 29.161 ( 0.000 -5.048 0.000) 5.048 29.166 ( 0.000 -7.594 0.000) 7.594 29.315 ( 0.000 1.183 0.000) 1.183 29.711 ( 0.000 -9.907 0.000) 9.907 29.914 ( 0.000 2.171 0.000) 2.171 29.959 ( 0.000 1.874 0.000) 1.874 30.019 ( 0.000 4.206 0.000) 4.206 30.063 ( 0.000 0.665 0.000) 0.665 30.159 ( 0.000 1.052 0.000) 1.052 30.246 ( 0.000 -1.121 0.000) 1.121 30.478 ( 0.000 -0.756 0.000) 0.756 30.489 ( 0.000 -2.308 0.000) 2.308 30.602 ( 0.000 0.656 0.000) 0.656 30.734 ( 0.000 -2.969 0.000) 2.969 31.246 ( 0.000 11.100 0.000) 11.100 31.444 ( 0.000 9.974 0.000) 9.974 31.901 ( 0.000 -6.774 0.000) 6.774 32.160 ( 0.000 -6.679 0.000) 6.679 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 8.203 16.270 0.000) 18.221 0.872 ( 20.453 16.836 0.000) 26.491 0.941 ( 7.374 9.838 0.000) 12.295 1.223 ( 3.280 1.350 0.000) 3.547 1.241 ( 14.263 12.866 0.000) 19.209 1.286 ( 8.811 7.575 0.000) 11.620 1.337 ( 7.987 4.365 0.000) 9.102 1.457 ( 4.752 2.110 0.000) 5.200 1.501 ( 8.295 2.804 0.000) 8.756 1.521 ( 1.339 0.853 0.000) 1.587 1.550 ( 1.951 1.402 0.000) 2.403 1.586 ( 2.560 1.442 0.000) 2.938 1.600 ( 1.280 2.351 0.000) 2.677 1.668 ( 8.249 0.462 0.000) 8.262 1.709 ( 10.195 5.081 0.000) 11.391 1.840 ( 3.379 0.113 0.000) 3.381 1.855 ( 2.790 -2.803 0.000) 3.955 1.927 ( 10.115 4.516 0.000) 11.077 1.946 ( 3.851 -0.231 0.000) 3.858 2.035 ( -0.003 -1.007 0.000) 1.007 2.092 ( 1.126 0.851 0.000) 1.412 2.158 ( 0.831 -1.533 0.000) 1.744 2.196 ( -1.267 -0.820 0.000) 1.509 2.231 ( 3.295 0.615 0.000) 3.352 2.321 ( 0.121 2.368 0.000) 2.371 2.418 ( 2.259 5.530 0.000) 5.973 2.429 ( 4.653 -0.795 0.000) 4.721 2.585 ( 1.982 5.121 0.000) 5.491 2.646 ( 15.126 6.172 0.000) 16.336 2.723 ( 9.966 2.411 0.000) 10.254 2.826 ( 10.012 5.803 0.000) 11.572 2.901 ( 4.342 5.746 0.000) 7.203 3.063 ( 15.497 10.732 0.000) 18.850 3.086 ( 12.527 -0.644 0.000) 12.544 3.214 ( 13.813 7.343 0.000) 15.643 3.448 ( 14.321 3.866 0.000) 14.834 3.678 ( 3.372 -0.103 0.000) 3.374 3.804 ( -3.527 -2.865 0.000) 4.544 4.000 ( -1.831 -15.706 0.000) 15.813 4.107 ( -6.794 -12.790 0.000) 14.483 4.349 ( -4.010 -1.733 0.000) 4.369 4.438 ( 7.784 0.050 0.000) 7.784 4.597 ( 4.905 -10.004 0.000) 11.141 4.729 ( -6.928 -9.314 0.000) 11.609 4.845 ( -0.423 -12.170 0.000) 12.178 4.893 ( 1.694 -9.768 0.000) 9.914 5.024 ( -6.028 -4.063 0.000) 7.269 5.107 ( -6.519 -3.272 0.000) 7.294 5.226 ( 0.696 -6.123 0.000) 6.163 5.473 ( -4.621 -2.467 0.000) 5.239 5.545 ( 1.020 1.666 0.000) 1.953 5.615 ( 0.953 -2.325 0.000) 2.513 5.667 ( -2.800 -5.637 0.000) 6.294 5.790 ( -3.097 3.661 0.000) 4.796 5.878 ( -1.000 1.733 0.000) 2.001 5.893 ( 0.153 1.859 0.000) 1.865 5.930 ( 1.212 2.665 0.000) 2.928 6.083 ( -2.735 1.086 0.000) 2.943 6.096 ( 1.909 1.714 0.000) 2.565 6.287 ( 0.350 -2.427 0.000) 2.452 6.436 ( -3.742 3.461 0.000) 5.097 6.479 ( -2.943 -0.094 0.000) 2.944 6.558 ( -2.587 -2.819 0.000) 3.826 6.652 ( -6.530 1.129 0.000) 6.626 6.773 ( 0.390 3.019 0.000) 3.045 6.901 ( -1.404 -2.369 0.000) 2.754 7.123 ( -4.260 5.373 0.000) 6.857 7.179 ( -3.572 6.576 0.000) 7.483 7.342 ( 6.484 2.765 0.000) 7.049 7.575 ( 1.009 1.986 0.000) 2.228 7.948 ( -5.443 1.331 0.000) 5.603 8.067 ( -10.572 0.981 0.000) 10.618 8.127 ( -11.843 5.637 0.000) 13.116 8.419 ( -12.209 -2.164 0.000) 12.399 8.454 ( -5.776 -2.583 0.000) 6.327 8.515 ( -0.204 0.697 0.000) 0.727 8.643 ( -0.705 1.646 0.000) 1.790 8.697 ( -0.879 3.958 0.000) 4.054 8.740 ( -0.538 0.293 0.000) 0.613 8.812 ( 1.669 1.979 0.000) 2.589 8.955 ( -4.700 -0.571 0.000) 4.735 9.039 ( 1.235 2.588 0.000) 2.867 9.132 ( 0.994 3.126 0.000) 3.280 9.203 ( 5.340 1.005 0.000) 5.434 9.407 ( 1.423 -3.790 0.000) 4.048 9.445 ( 1.156 2.746 0.000) 2.980 9.544 ( -0.414 1.940 0.000) 1.984 9.663 ( -2.694 0.543 0.000) 2.748 9.705 ( 2.081 -7.387 0.000) 7.674 9.818 ( 7.172 -1.469 0.000) 7.321 9.849 ( 1.841 0.441 0.000) 1.893 9.923 ( 3.567 -1.486 0.000) 3.864 9.999 ( -1.627 2.824 0.000) 3.260 10.078 ( 1.894 0.158 0.000) 1.901 10.165 ( 2.603 -1.044 0.000) 2.804 10.220 ( -1.759 0.093 0.000) 1.761 10.440 ( -1.553 0.059 0.000) 1.554 10.452 ( -0.890 0.725 0.000) 1.148 11.445 ( -0.338 0.540 0.000) 0.636 11.646 ( 1.882 0.391 0.000) 1.923 11.772 ( -0.524 -1.888 0.000) 1.959 11.891 ( 1.799 -5.099 0.000) 5.407 12.999 ( -4.576 -1.519 0.000) 4.822 13.035 ( -4.766 -1.003 0.000) 4.870 13.334 ( -1.675 0.380 0.000) 1.718 13.546 ( 0.385 -2.442 0.000) 2.472 13.626 ( 2.176 0.776 0.000) 2.310 13.662 ( 0.719 1.061 0.000) 1.282 13.905 ( -3.106 4.159 0.000) 5.191 13.972 ( -9.301 -0.480 0.000) 9.314 14.064 ( 1.632 -1.831 0.000) 2.453 14.125 ( -1.205 -1.363 0.000) 1.819 14.323 ( 5.866 -1.043 0.000) 5.958 14.353 ( 2.685 1.138 0.000) 2.916 14.474 ( -0.575 -2.111 0.000) 2.188 14.542 ( 0.774 0.631 0.000) 0.998 14.581 ( -1.522 1.589 0.000) 2.200 14.675 ( -0.258 -1.368 0.000) 1.392 14.712 ( 1.448 2.411 0.000) 2.813 14.839 ( 2.728 6.302 0.000) 6.867 14.992 ( -0.115 -1.182 0.000) 1.187 15.076 ( 0.674 -0.161 0.000) 0.692 15.110 ( 0.808 0.644 0.000) 1.033 15.160 ( 0.495 -1.084 0.000) 1.192 15.201 ( 2.594 -0.245 0.000) 2.606 15.293 ( -2.331 -10.198 0.000) 10.461 15.348 ( -2.720 -0.383 0.000) 2.747 15.379 ( -1.601 -3.475 0.000) 3.826 15.617 ( 2.421 4.522 0.000) 5.130 15.767 ( 11.974 3.066 0.000) 12.360 15.837 ( 4.373 -5.402 0.000) 6.950 16.030 ( 10.934 -6.325 0.000) 12.631 19.344 ( 0.868 1.716 0.000) 1.923 19.525 ( -0.536 2.307 0.000) 2.368 19.617 ( -2.409 -4.910 0.000) 5.469 19.698 ( -3.272 -1.144 0.000) 3.466 20.006 ( 3.649 0.275 0.000) 3.659 20.067 ( 3.020 -2.939 0.000) 4.214 20.927 ( -0.741 3.755 0.000) 3.827 21.082 ( -0.596 0.047 0.000) 0.597 21.132 ( -1.275 -0.388 0.000) 1.333 21.215 ( -0.743 -1.259 0.000) 1.462 22.341 ( -6.058 6.379 0.000) 8.797 22.447 ( -3.080 -0.004 0.000) 3.080 26.418 ( -5.253 2.417 0.000) 5.783 26.703 ( -6.579 -5.048 0.000) 8.293 26.854 ( 8.839 3.090 0.000) 9.363 26.899 ( 4.949 3.276 0.000) 5.935 27.282 ( 7.876 -6.917 0.000) 10.483 27.409 ( 3.821 -7.795 0.000) 8.681 27.683 ( -1.606 3.765 0.000) 4.093 27.832 ( -5.665 7.390 0.000) 9.311 27.923 ( 3.179 -4.793 0.000) 5.752 28.051 ( 2.071 1.665 0.000) 2.657 28.083 ( -0.083 -0.113 0.000) 0.140 28.186 ( -3.064 2.416 0.000) 3.902 28.313 ( 3.629 -11.836 0.000) 12.380 28.462 ( 6.241 12.659 0.000) 14.114 28.508 ( 9.461 11.576 0.000) 14.950 28.799 ( -9.925 -11.918 0.000) 15.510 28.995 ( 0.526 -0.240 0.000) 0.578 29.124 ( -0.537 -0.530 0.000) 0.754 29.184 ( -0.005 -0.785 0.000) 0.785 29.216 ( 1.271 -1.385 0.000) 1.879 29.307 ( -0.844 1.785 0.000) 1.975 29.608 ( -8.196 -6.543 0.000) 10.487 29.906 ( -0.817 1.683 0.000) 1.871 29.961 ( -1.167 2.469 0.000) 2.731 30.020 ( 1.387 1.739 0.000) 2.224 30.080 ( 2.133 -0.363 0.000) 2.164 30.142 ( 0.214 1.924 0.000) 1.935 30.284 ( 2.585 -0.436 0.000) 2.622 30.479 ( 0.082 -0.189 0.000) 0.206 30.506 ( -1.266 -1.067 0.000) 1.655 30.589 ( 1.661 1.470 0.000) 2.218 30.761 ( 1.634 0.546 0.000) 1.723 31.293 ( 0.169 2.522 0.000) 2.528 31.381 ( 4.688 9.538 0.000) 10.628 31.835 ( -6.053 -6.842 0.000) 9.135 32.093 ( -5.888 -6.882 0.000) 9.057 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 6.749 20.435 0.000) 21.521 1.176 ( 5.479 13.080 0.000) 14.181 1.182 ( 9.346 5.049 0.000) 10.622 1.269 ( 1.422 2.999 0.000) 3.319 1.343 ( 1.303 1.107 0.000) 1.710 1.408 ( 3.217 1.035 0.000) 3.379 1.415 ( -0.215 -0.325 0.000) 0.390 1.458 ( -1.754 0.043 0.000) 1.755 1.482 ( 0.157 1.625 0.000) 1.632 1.577 ( 0.987 0.248 0.000) 1.018 1.596 ( 0.959 0.463 0.000) 1.065 1.629 ( 0.695 0.428 0.000) 0.816 1.682 ( 4.560 1.223 0.000) 4.721 1.836 ( 0.553 -2.144 0.000) 2.214 1.907 ( 1.984 -0.789 0.000) 2.135 1.923 ( 4.808 -0.696 0.000) 4.858 1.951 ( 6.811 -0.627 0.000) 6.839 2.025 ( 0.992 -0.097 0.000) 0.997 2.072 ( 5.931 0.035 0.000) 5.931 2.087 ( -0.221 1.302 0.000) 1.320 2.115 ( 5.110 1.106 0.000) 5.228 2.144 ( -0.588 -0.885 0.000) 1.063 2.201 ( 2.325 -0.317 0.000) 2.347 2.284 ( 1.043 -0.373 0.000) 1.108 2.327 ( 1.513 4.778 0.000) 5.012 2.512 ( 0.449 5.917 0.000) 5.934 2.572 ( 12.784 0.120 0.000) 12.785 2.711 ( 9.747 -4.146 0.000) 10.592 2.840 ( 7.777 1.820 0.000) 7.987 2.941 ( 0.077 3.264 0.000) 3.265 3.026 ( 10.821 3.318 0.000) 11.318 3.193 ( 15.775 -7.841 0.000) 17.617 3.374 ( 5.358 -2.775 0.000) 6.034 3.426 ( 15.020 5.930 0.000) 16.149 3.536 ( 12.490 -7.709 0.000) 14.678 3.698 ( 15.107 1.926 0.000) 15.229 3.766 ( -11.816 -10.613 0.000) 15.883 3.836 ( 9.344 8.434 0.000) 12.587 3.952 ( -7.450 -6.450 0.000) 9.855 4.111 ( 29.379 7.325 0.000) 30.278 4.235 ( 2.540 -2.794 0.000) 3.776 4.470 ( -15.425 -1.025 0.000) 15.459 4.586 ( 3.457 4.142 0.000) 5.395 4.742 ( 0.332 2.796 0.000) 2.816 4.870 ( -6.427 5.464 0.000) 8.435 4.900 ( 1.485 -6.697 0.000) 6.860 4.996 ( 0.694 -3.956 0.000) 4.017 5.140 ( -1.373 3.705 0.000) 3.951 5.150 ( 0.654 -3.405 0.000) 3.467 5.274 ( 1.394 -12.673 0.000) 12.749 5.525 ( -0.232 -1.085 0.000) 1.109 5.583 ( -1.581 -5.637 0.000) 5.855 5.729 ( 2.417 1.674 0.000) 2.940 5.795 ( 3.475 -0.427 0.000) 3.501 5.864 ( -0.121 3.935 0.000) 3.937 5.885 ( -0.348 -1.769 0.000) 1.803 5.974 ( 0.567 0.801 0.000) 0.981 6.034 ( -1.470 3.429 0.000) 3.731 6.122 ( 1.547 2.106 0.000) 2.613 6.226 ( -4.164 4.439 0.000) 6.086 6.352 ( -6.856 0.459 0.000) 6.871 6.381 ( -7.680 -3.270 0.000) 8.347 6.500 ( 1.161 -5.436 0.000) 5.559 6.578 ( 0.139 -2.840 0.000) 2.843 6.799 ( 0.703 0.680 0.000) 0.979 6.862 ( -5.189 1.363 0.000) 5.365 7.052 ( -0.481 9.112 0.000) 9.124 7.117 ( -1.832 3.476 0.000) 3.929 7.429 ( -0.547 1.047 0.000) 1.182 7.471 ( -11.069 2.992 0.000) 11.466 7.719 ( -15.081 -1.519 0.000) 15.157 7.753 ( -16.184 0.198 0.000) 16.185 7.872 ( -6.015 6.488 0.000) 8.848 8.089 ( -12.359 3.415 0.000) 12.822 8.412 ( 1.749 -8.680 0.000) 8.855 8.528 ( -0.781 -6.316 0.000) 6.364 8.633 ( -1.272 -0.830 0.000) 1.519 8.710 ( -3.327 -2.874 0.000) 4.396 8.824 ( 6.324 2.861 0.000) 6.942 8.883 ( 5.152 1.115 0.000) 5.271 8.904 ( 1.323 0.405 0.000) 1.383 9.033 ( -0.153 2.494 0.000) 2.498 9.207 ( 5.041 2.641 0.000) 5.691 9.308 ( 4.231 -0.224 0.000) 4.236 9.408 ( 0.017 0.217 0.000) 0.218 9.515 ( 3.171 -0.712 0.000) 3.250 9.534 ( -1.367 0.088 0.000) 1.370 9.590 ( -2.933 -2.525 0.000) 3.870 9.728 ( 0.428 -0.078 0.000) 0.435 9.851 ( -2.541 -1.068 0.000) 2.756 9.915 ( 1.471 -1.321 0.000) 1.977 9.983 ( 0.314 -1.287 0.000) 1.325 10.036 ( 6.898 -3.910 0.000) 7.929 10.121 ( 1.234 2.071 0.000) 2.411 10.175 ( -1.426 -0.587 0.000) 1.542 10.213 ( 1.083 -2.758 0.000) 2.963 10.399 ( -1.044 0.774 0.000) 1.300 10.440 ( -0.730 0.130 0.000) 0.741 11.467 ( 2.831 -0.975 0.000) 2.994 11.643 ( -2.758 -4.721 0.000) 5.467 11.807 ( 3.925 1.957 0.000) 4.386 11.915 ( 0.300 1.338 0.000) 1.372 12.897 ( -3.620 0.412 0.000) 3.644 12.941 ( -4.499 0.182 0.000) 4.503 13.328 ( 1.502 1.613 0.000) 2.204 13.507 ( -4.176 -0.355 0.000) 4.191 13.607 ( -3.426 0.901 0.000) 3.543 13.643 ( -3.678 -0.230 0.000) 3.685 13.848 ( 1.708 0.943 0.000) 1.951 13.921 ( 2.066 2.729 0.000) 3.423 14.063 ( -1.273 -0.261 0.000) 1.299 14.076 ( -2.791 -1.072 0.000) 2.990 14.390 ( 2.283 1.484 0.000) 2.723 14.426 ( 2.071 0.061 0.000) 2.072 14.455 ( -0.983 -1.345 0.000) 1.666 14.519 ( -2.039 1.198 0.000) 2.365 14.577 ( 0.636 0.601 0.000) 0.875 14.660 ( -1.818 1.348 0.000) 2.263 14.785 ( 6.066 -1.655 0.000) 6.288 14.958 ( 5.701 1.498 0.000) 5.895 14.997 ( 0.004 0.169 0.000) 0.169 15.075 ( -1.022 -0.224 0.000) 1.046 15.155 ( 1.746 1.668 0.000) 2.415 15.163 ( 0.410 -3.455 0.000) 3.479 15.196 ( -1.714 -2.172 0.000) 2.767 15.234 ( -3.439 -2.026 0.000) 3.992 15.303 ( 0.168 -4.630 0.000) 4.633 15.372 ( 0.206 -6.022 0.000) 6.026 15.678 ( 3.864 6.178 0.000) 7.287 15.872 ( -1.694 -2.729 0.000) 3.212 16.018 ( 9.739 2.901 0.000) 10.162 16.131 ( 2.155 3.747 0.000) 4.322 19.389 ( 3.117 -0.707 0.000) 3.196 19.509 ( -1.160 0.240 0.000) 1.185 19.559 ( -2.358 -3.702 0.000) 4.389 19.618 ( -4.006 -1.764 0.000) 4.377 20.081 ( 3.140 0.784 0.000) 3.236 20.118 ( 1.632 -0.856 0.000) 1.843 20.919 ( 0.409 1.848 0.000) 1.892 21.025 ( -3.821 -1.207 0.000) 4.007 21.138 ( 1.056 0.739 0.000) 1.289 21.190 ( -1.420 -0.331 0.000) 1.458 22.293 ( 0.280 2.486 0.000) 2.501 22.378 ( -3.196 -0.223 0.000) 3.204 26.355 ( -0.507 1.962 0.000) 2.027 26.531 ( -7.990 -2.290 0.000) 8.312 27.043 ( 7.661 2.308 0.000) 8.001 27.066 ( 9.439 2.515 0.000) 9.768 27.383 ( 1.614 -4.061 0.000) 4.370 27.486 ( 0.551 -1.236 0.000) 1.354 27.678 ( 0.950 1.941 0.000) 2.161 27.731 ( -2.480 4.003 0.000) 4.709 27.975 ( 2.557 -7.191 0.000) 7.632 28.074 ( -0.039 -0.525 0.000) 0.526 28.080 ( -0.194 -0.211 0.000) 0.287 28.195 ( 4.613 -3.889 0.000) 6.033 28.256 ( -6.401 -14.678 0.000) 16.013 28.560 ( -9.280 -10.631 0.000) 14.112 28.675 ( 9.841 13.603 0.000) 16.790 28.732 ( 11.507 14.527 0.000) 18.533 29.017 ( 1.329 2.719 0.000) 3.026 29.106 ( -1.792 1.233 0.000) 2.175 29.117 ( -6.184 8.342 0.000) 10.384 29.165 ( -5.727 8.799 0.000) 10.498 29.293 ( 0.016 0.568 0.000) 0.568 29.433 ( -7.472 -3.955 0.000) 8.454 29.890 ( -0.435 0.668 0.000) 0.797 29.922 ( -1.891 1.054 0.000) 2.165 30.073 ( 2.842 -0.300 0.000) 2.857 30.122 ( 1.376 -2.499 0.000) 2.853 30.193 ( 3.962 0.769 0.000) 4.036 30.320 ( 0.181 -0.621 0.000) 0.646 30.462 ( -1.102 0.630 0.000) 1.269 30.483 ( -0.226 0.314 0.000) 0.387 30.654 ( 3.689 0.991 0.000) 3.820 30.775 ( -0.725 1.389 0.000) 1.567 31.332 ( 4.554 -6.286 0.000) 7.762 31.562 ( 8.712 2.885 0.000) 9.177 31.673 ( -7.913 -7.022 0.000) 10.579 31.945 ( -7.792 -5.390 0.000) 9.475 ======================= Grid point 10 (8/36) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -9.746 19.060 0.000) 21.407 1.102 ( 9.746 19.060 0.000) 21.407 1.270 ( -0.369 0.669 0.000) 0.764 1.270 ( 0.369 0.669 0.000) 0.764 1.386 ( -1.730 -1.263 0.000) 2.142 1.386 ( 1.730 -1.263 0.000) 2.142 1.433 ( -1.188 -0.680 0.000) 1.369 1.433 ( 1.188 -0.680 0.000) 1.369 1.565 ( -3.838 1.278 0.000) 4.045 1.565 ( 3.838 1.278 0.000) 4.045 1.604 ( -0.818 0.961 0.000) 1.262 1.604 ( 0.818 0.961 0.000) 1.262 1.791 ( -4.557 -0.155 0.000) 4.560 1.791 ( 4.557 -0.155 0.000) 4.560 1.938 ( -1.119 -1.112 0.000) 1.577 1.938 ( 1.119 -1.112 0.000) 1.577 2.023 ( -0.939 -0.667 0.000) 1.152 2.023 ( 0.939 -0.667 0.000) 1.152 2.103 ( -1.638 0.629 0.000) 1.754 2.103 ( 1.638 0.629 0.000) 1.754 2.147 ( -1.065 -2.577 0.000) 2.789 2.147 ( 1.065 -2.577 0.000) 2.789 2.281 ( -1.826 0.347 0.000) 1.859 2.281 ( 1.826 0.347 0.000) 1.859 2.428 ( -6.953 6.707 0.000) 9.661 2.428 ( 6.953 6.707 0.000) 9.661 2.823 ( -3.546 1.486 0.000) 3.845 2.823 ( 3.546 1.486 0.000) 3.845 2.952 ( -15.647 -8.589 0.000) 17.849 2.952 ( 15.647 -8.589 0.000) 17.849 3.191 ( -14.658 -10.343 0.000) 17.940 3.191 ( 14.658 -10.343 0.000) 17.940 3.382 ( -6.332 -7.022 0.000) 9.456 3.382 ( 6.332 -7.022 0.000) 9.456 3.739 ( -8.630 -6.659 0.000) 10.900 3.739 ( 8.630 -6.659 0.000) 10.900 3.896 ( -6.705 3.990 0.000) 7.802 3.896 ( 6.705 3.990 0.000) 7.802 4.201 ( -8.163 6.973 0.000) 10.736 4.201 ( 8.163 6.973 0.000) 10.736 4.395 ( -17.341 5.448 0.000) 18.176 4.395 ( 17.341 5.448 0.000) 18.176 4.609 ( -1.823 18.996 0.000) 19.084 4.609 ( 1.823 18.996 0.000) 19.084 4.802 ( -14.476 0.587 0.000) 14.488 4.802 ( 14.476 0.587 0.000) 14.488 5.010 ( -2.536 -5.468 0.000) 6.027 5.010 ( 2.536 -5.468 0.000) 6.027 5.375 ( -4.148 -6.249 0.000) 7.501 5.375 ( 4.148 -6.249 0.000) 7.501 5.550 ( -5.013 -8.590 0.000) 9.946 5.550 ( 5.013 -8.590 0.000) 9.946 5.795 ( -5.016 4.171 0.000) 6.524 5.795 ( 5.016 4.171 0.000) 6.524 5.899 ( -3.407 1.050 0.000) 3.565 5.899 ( 3.407 1.050 0.000) 3.565 5.951 ( -7.572 -0.093 0.000) 7.573 5.951 ( 7.572 -0.093 0.000) 7.573 6.170 ( -1.758 6.747 0.000) 6.972 6.170 ( 1.758 6.747 0.000) 6.972 6.266 ( -3.099 -2.213 0.000) 3.808 6.266 ( 3.099 -2.213 0.000) 3.808 6.558 ( -3.385 -4.909 0.000) 5.963 6.558 ( 3.385 -4.909 0.000) 5.963 6.792 ( -0.539 0.678 0.000) 0.866 6.792 ( 0.539 0.678 0.000) 0.866 7.083 ( -2.126 4.777 0.000) 5.228 7.083 ( 2.126 4.777 0.000) 5.228 7.341 ( -3.241 1.685 0.000) 3.653 7.341 ( 3.241 1.685 0.000) 3.653 7.515 ( -2.471 -1.348 0.000) 2.815 7.515 ( 2.471 -1.348 0.000) 2.815 7.928 ( -5.799 5.080 0.000) 7.710 7.928 ( 5.799 5.080 0.000) 7.710 8.470 ( -3.885 -9.454 0.000) 10.221 8.470 ( 3.885 -9.454 0.000) 10.221 8.640 ( -2.391 -0.781 0.000) 2.515 8.640 ( 2.391 -0.781 0.000) 2.515 8.890 ( -0.948 1.747 0.000) 1.988 8.890 ( 0.948 1.747 0.000) 1.988 9.016 ( -2.893 0.882 0.000) 3.024 9.016 ( 2.893 0.882 0.000) 3.024 9.316 ( -4.275 0.607 0.000) 4.318 9.316 ( 4.275 0.607 0.000) 4.318 9.456 ( -4.589 0.040 0.000) 4.589 9.456 ( 4.589 0.040 0.000) 4.589 9.555 ( -0.575 -2.380 0.000) 2.448 9.555 ( 0.575 -2.380 0.000) 2.448 9.771 ( -3.891 0.162 0.000) 3.895 9.771 ( 3.891 0.162 0.000) 3.895 9.960 ( -2.343 -1.733 0.000) 2.914 9.960 ( 2.343 -1.733 0.000) 2.914 10.116 ( -1.046 1.094 0.000) 1.514 10.116 ( 1.046 1.094 0.000) 1.514 10.196 ( -2.559 -5.306 0.000) 5.891 10.196 ( 2.559 -5.306 0.000) 5.891 10.413 ( -1.666 0.881 0.000) 1.885 10.413 ( 1.666 0.881 0.000) 1.885 11.555 ( -4.971 -4.125 0.000) 6.460 11.555 ( 4.971 -4.125 0.000) 6.460 11.889 ( -2.984 3.911 0.000) 4.919 11.889 ( 2.984 3.911 0.000) 4.919 12.872 ( -1.356 0.783 0.000) 1.566 12.872 ( 1.356 0.783 0.000) 1.566 13.399 ( -5.000 1.700 0.000) 5.281 13.399 ( 5.000 1.700 0.000) 5.281 13.576 ( -0.966 1.067 0.000) 1.439 13.576 ( 0.966 1.067 0.000) 1.439 13.925 ( -3.058 0.190 0.000) 3.064 13.925 ( 3.058 0.190 0.000) 3.064 14.040 ( -0.826 0.245 0.000) 0.861 14.040 ( 0.826 0.245 0.000) 0.861 14.426 ( -1.140 -0.832 0.000) 1.411 14.426 ( 1.140 -0.832 0.000) 1.411 14.473 ( -2.152 2.018 0.000) 2.951 14.473 ( 2.152 2.018 0.000) 2.951 14.608 ( -2.419 0.872 0.000) 2.571 14.608 ( 2.419 0.872 0.000) 2.571 14.925 ( -6.271 -2.606 0.000) 6.791 14.925 ( 6.271 -2.606 0.000) 6.791 15.045 ( -2.059 -0.674 0.000) 2.167 15.045 ( 2.059 -0.674 0.000) 2.167 15.166 ( -1.535 0.740 0.000) 1.704 15.166 ( 1.535 0.740 0.000) 1.704 15.183 ( -0.137 -1.146 0.000) 1.154 15.183 ( 0.137 -1.146 0.000) 1.154 15.349 ( -2.638 -6.302 0.000) 6.832 15.349 ( 2.638 -6.302 0.000) 6.832 15.782 ( -5.622 4.177 0.000) 7.004 15.782 ( 5.622 4.177 0.000) 7.004 16.142 ( -2.116 3.323 0.000) 3.940 16.142 ( 2.116 3.323 0.000) 3.940 19.460 ( -3.310 -1.383 0.000) 3.587 19.460 ( 3.310 -1.383 0.000) 3.587 19.552 ( -1.771 -2.135 0.000) 2.774 19.552 ( 1.771 -2.135 0.000) 2.774 20.126 ( -0.987 0.548 0.000) 1.129 20.126 ( 0.987 0.548 0.000) 1.129 20.952 ( -2.739 -0.067 0.000) 2.740 20.952 ( 2.739 -0.067 0.000) 2.740 21.162 ( -1.223 0.255 0.000) 1.249 21.162 ( 1.223 0.255 0.000) 1.249 22.322 ( -2.125 0.455 0.000) 2.173 22.322 ( 2.125 0.455 0.000) 2.173 26.398 ( -4.463 0.300 0.000) 4.473 26.398 ( 4.463 0.300 0.000) 4.473 27.164 ( -1.886 0.803 0.000) 2.050 27.164 ( 1.886 0.803 0.000) 2.050 27.420 ( -3.961 1.960 0.000) 4.420 27.420 ( 3.961 1.960 0.000) 4.420 27.705 ( -1.510 2.289 0.000) 2.742 27.705 ( 1.510 2.289 0.000) 2.742 28.065 ( -2.487 -2.483 0.000) 3.514 28.065 ( 2.487 -2.483 0.000) 3.514 28.098 ( -5.517 -11.018 0.000) 12.322 28.098 ( 5.517 -11.018 0.000) 12.322 28.353 ( -9.210 -10.116 0.000) 13.681 28.353 ( 9.210 -10.116 0.000) 13.681 28.914 ( -11.083 14.840 0.000) 18.522 28.914 ( 11.083 14.840 0.000) 18.522 28.965 ( -9.233 14.133 0.000) 16.882 28.965 ( 9.233 14.133 0.000) 16.882 29.080 ( -0.893 1.863 0.000) 2.065 29.080 ( 0.893 1.863 0.000) 2.065 29.322 ( -3.129 -1.783 0.000) 3.602 29.322 ( 3.129 -1.783 0.000) 3.602 29.893 ( -0.769 0.299 0.000) 0.825 29.893 ( 0.769 0.299 0.000) 0.825 30.121 ( -1.486 -1.950 0.000) 2.452 30.121 ( 1.486 -1.950 0.000) 2.452 30.279 ( -3.706 -0.339 0.000) 3.721 30.279 ( 3.706 -0.339 0.000) 3.721 30.469 ( -1.069 0.279 0.000) 1.105 30.469 ( 1.069 0.279 0.000) 1.105 30.730 ( -3.289 1.181 0.000) 3.494 30.730 ( 3.289 1.181 0.000) 3.494 31.469 ( -8.196 -7.928 0.000) 11.403 31.469 ( 8.196 -7.928 0.000) 11.403 31.774 ( -8.697 -1.755 0.000) 8.872 31.774 ( 8.697 -1.755 0.000) 8.872 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 9.065 0.000) 9.065 0.829 ( 0.000 -0.115 0.000) 0.115 1.058 ( 0.000 15.734 0.000) 15.734 1.214 ( 0.000 -2.502 0.000) 2.502 1.291 ( 0.000 9.236 0.000) 9.236 1.355 ( 0.000 3.439 0.000) 3.439 1.414 ( 0.000 -2.734 0.000) 2.734 1.428 ( 0.000 0.832 0.000) 0.832 1.495 ( 0.000 1.983 0.000) 1.983 1.518 ( 0.000 -2.068 0.000) 2.068 1.559 ( 0.000 6.556 0.000) 6.556 1.640 ( 0.000 5.707 0.000) 5.707 1.672 ( 0.000 3.056 0.000) 3.056 1.733 ( 0.000 3.624 0.000) 3.624 1.746 ( 0.000 0.763 0.000) 0.763 1.767 ( 0.000 8.653 0.000) 8.653 1.817 ( 0.000 -0.142 0.000) 0.142 1.867 ( 0.000 -1.582 0.000) 1.582 1.900 ( 0.000 9.812 0.000) 9.812 2.016 ( 0.000 4.634 0.000) 4.634 2.083 ( 0.000 1.596 0.000) 1.596 2.119 ( 0.000 -2.043 0.000) 2.043 2.153 ( 0.000 -5.749 0.000) 5.749 2.194 ( 0.000 -2.733 0.000) 2.733 2.338 ( 0.000 2.623 0.000) 2.623 2.379 ( 0.000 2.082 0.000) 2.082 2.523 ( 0.000 2.140 0.000) 2.140 2.531 ( 0.000 -5.880 0.000) 5.880 2.634 ( 0.000 3.866 0.000) 3.866 2.695 ( 0.000 -2.197 0.000) 2.197 2.781 ( 0.000 7.264 0.000) 7.264 2.874 ( 0.000 5.377 0.000) 5.377 3.119 ( 0.000 4.002 0.000) 4.002 3.165 ( 0.000 4.783 0.000) 4.783 3.442 ( 0.000 18.649 0.000) 18.649 3.514 ( 0.000 17.072 0.000) 17.072 3.648 ( 0.000 -3.159 0.000) 3.159 3.748 ( 0.000 5.637 0.000) 5.637 3.824 ( 0.000 11.065 0.000) 11.065 3.865 ( 0.000 -21.695 0.000) 21.695 4.063 ( 0.000 -23.665 0.000) 23.665 4.309 ( 0.000 -8.232 0.000) 8.232 4.366 ( 0.000 -2.829 0.000) 2.829 4.445 ( 0.000 -27.515 0.000) 27.515 4.617 ( 0.000 -0.049 0.000) 0.049 4.716 ( 0.000 -9.064 0.000) 9.064 4.962 ( 0.000 -2.364 0.000) 2.364 5.030 ( 0.000 -7.305 0.000) 7.305 5.286 ( 0.000 -0.536 0.000) 0.536 5.311 ( 0.000 -3.065 0.000) 3.065 5.546 ( 0.000 5.756 0.000) 5.756 5.610 ( 0.000 0.902 0.000) 0.902 5.745 ( 0.000 -0.699 0.000) 0.699 5.820 ( 0.000 -2.838 0.000) 2.838 5.868 ( 0.000 -2.970 0.000) 2.970 5.919 ( 0.000 -3.391 0.000) 3.391 5.992 ( 0.000 3.469 0.000) 3.469 6.004 ( 0.000 2.561 0.000) 2.561 6.172 ( 0.000 2.106 0.000) 2.106 6.219 ( 0.000 -3.133 0.000) 3.133 6.503 ( 0.000 2.394 0.000) 2.394 6.543 ( 0.000 -1.549 0.000) 1.549 6.607 ( 0.000 3.103 0.000) 3.103 6.664 ( 0.000 -2.670 0.000) 2.670 6.874 ( 0.000 2.731 0.000) 2.731 6.921 ( 0.000 -2.268 0.000) 2.268 7.289 ( 0.000 3.180 0.000) 3.180 7.307 ( 0.000 1.615 0.000) 1.615 7.359 ( 0.000 8.280 0.000) 8.280 7.485 ( 0.000 -4.057 0.000) 4.057 8.015 ( 0.000 4.467 0.000) 4.467 8.114 ( 0.000 -5.317 0.000) 5.317 8.330 ( 0.000 2.684 0.000) 2.684 8.433 ( 0.000 -6.824 0.000) 6.824 8.565 ( 0.000 13.106 0.000) 13.106 8.701 ( 0.000 -1.057 0.000) 1.057 8.721 ( 0.000 4.195 0.000) 4.195 8.779 ( 0.000 -0.354 0.000) 0.354 8.869 ( 0.000 4.016 0.000) 4.016 8.910 ( 0.000 3.039 0.000) 3.039 8.979 ( 0.000 -3.471 0.000) 3.471 8.995 ( 0.000 -8.837 0.000) 8.837 9.075 ( 0.000 5.468 0.000) 5.468 9.166 ( 0.000 -2.894 0.000) 2.894 9.387 ( 0.000 4.613 0.000) 4.613 9.466 ( 0.000 -3.586 0.000) 3.586 9.552 ( 0.000 6.753 0.000) 6.753 9.645 ( 0.000 2.927 0.000) 2.927 9.652 ( 0.000 -3.449 0.000) 3.449 9.774 ( 0.000 -7.935 0.000) 7.935 9.840 ( 0.000 1.334 0.000) 1.334 9.848 ( 0.000 0.158 0.000) 0.158 10.040 ( 0.000 1.288 0.000) 1.288 10.057 ( 0.000 -0.842 0.000) 0.842 10.163 ( 0.000 4.376 0.000) 4.376 10.228 ( 0.000 -1.923 0.000) 1.923 10.476 ( 0.000 0.721 0.000) 0.721 10.477 ( 0.000 0.684 0.000) 0.684 11.505 ( 0.000 4.725 0.000) 4.725 11.611 ( 0.000 -3.799 0.000) 3.799 11.737 ( 0.000 -2.870 0.000) 2.870 11.748 ( 0.000 -2.061 0.000) 2.061 13.025 ( 0.000 -1.944 0.000) 1.944 13.027 ( 0.000 -1.347 0.000) 1.347 13.388 ( 0.000 3.140 0.000) 3.140 13.464 ( 0.000 -4.077 0.000) 4.077 13.662 ( 0.000 1.527 0.000) 1.527 13.667 ( 0.000 1.316 0.000) 1.316 13.997 ( 0.000 1.855 0.000) 1.855 14.036 ( 0.000 -2.154 0.000) 2.154 14.073 ( 0.000 3.592 0.000) 3.592 14.120 ( 0.000 -1.526 0.000) 1.526 14.223 ( 0.000 0.397 0.000) 0.397 14.274 ( 0.000 -3.913 0.000) 3.913 14.494 ( 0.000 2.857 0.000) 2.857 14.550 ( 0.000 -1.071 0.000) 1.071 14.603 ( 0.000 1.266 0.000) 1.266 14.655 ( 0.000 -2.220 0.000) 2.220 14.749 ( 0.000 6.106 0.000) 6.106 14.879 ( 0.000 -5.683 0.000) 5.683 15.038 ( 0.000 -0.329 0.000) 0.329 15.054 ( 0.000 -2.281 0.000) 2.281 15.090 ( 0.000 0.577 0.000) 0.577 15.093 ( 0.000 -0.021 0.000) 0.021 15.152 ( 0.000 0.981 0.000) 0.981 15.192 ( 0.000 -3.685 0.000) 3.685 15.352 ( 0.000 0.559 0.000) 0.559 15.365 ( 0.000 -0.868 0.000) 0.868 15.625 ( 0.000 3.211 0.000) 3.211 15.674 ( 0.000 -0.206 0.000) 0.206 15.745 ( 0.000 -0.323 0.000) 0.323 15.761 ( 0.000 -0.320 0.000) 0.320 19.439 ( 0.000 5.354 0.000) 5.354 19.545 ( 0.000 -5.380 0.000) 5.380 19.607 ( 0.000 4.779 0.000) 4.779 19.695 ( 0.000 -3.756 0.000) 3.756 19.955 ( 0.000 0.176 0.000) 0.176 19.973 ( 0.000 -1.814 0.000) 1.814 21.032 ( 0.000 4.689 0.000) 4.689 21.093 ( 0.000 -0.800 0.000) 0.800 21.138 ( 0.000 0.080 0.000) 0.080 21.172 ( 0.000 -2.598 0.000) 2.598 22.489 ( 0.000 0.544 0.000) 0.544 22.496 ( 0.000 -0.237 0.000) 0.237 26.582 ( 0.000 4.428 0.000) 4.428 26.667 ( 0.000 -2.864 0.000) 2.864 26.823 ( 0.000 0.044 0.000) 0.044 26.851 ( 0.000 -0.114 0.000) 0.114 27.090 ( 0.000 0.754 0.000) 0.754 27.191 ( 0.000 -8.328 0.000) 8.328 27.766 ( 0.000 0.548 0.000) 0.548 27.782 ( 0.000 -1.255 0.000) 1.255 28.049 ( 0.000 1.079 0.000) 1.079 28.056 ( 0.000 0.788 0.000) 0.788 28.133 ( 0.000 4.498 0.000) 4.498 28.181 ( 0.000 -0.990 0.000) 0.990 28.373 ( 0.000 12.220 0.000) 12.220 28.608 ( 0.000 4.727 0.000) 4.727 28.653 ( 0.000 13.112 0.000) 13.112 28.724 ( 0.000 -5.338 0.000) 5.338 28.876 ( 0.000 -8.387 0.000) 8.387 28.958 ( 0.000 -13.545 0.000) 13.545 29.086 ( 0.000 -0.420 0.000) 0.420 29.110 ( 0.000 -1.525 0.000) 1.525 29.370 ( 0.000 4.853 0.000) 4.853 29.510 ( 0.000 -9.547 0.000) 9.547 29.959 ( 0.000 1.934 0.000) 1.934 29.976 ( 0.000 0.111 0.000) 0.111 30.083 ( 0.000 1.334 0.000) 1.334 30.089 ( 0.000 1.664 0.000) 1.664 30.184 ( 0.000 1.500 0.000) 1.500 30.216 ( 0.000 -1.807 0.000) 1.807 30.453 ( 0.000 -0.791 0.000) 0.791 30.459 ( 0.000 -1.036 0.000) 1.036 30.622 ( 0.000 1.625 0.000) 1.625 30.670 ( 0.000 -3.235 0.000) 3.235 31.482 ( 0.000 12.780 0.000) 12.780 31.700 ( 0.000 15.070 0.000) 15.070 31.721 ( 0.000 -11.429 0.000) 11.429 31.973 ( 0.000 -12.442 0.000) 12.442 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 15.725 5.686 0.000) 16.722 1.077 ( 14.213 4.315 0.000) 14.854 1.160 ( 6.917 8.270 0.000) 10.781 1.240 ( 1.885 -1.079 0.000) 2.172 1.352 ( 3.679 4.180 0.000) 5.569 1.415 ( -0.282 -1.001 0.000) 1.040 1.434 ( 0.816 3.514 0.000) 3.607 1.506 ( -0.072 -2.757 0.000) 2.758 1.526 ( 0.126 4.338 0.000) 4.340 1.558 ( 4.017 2.711 0.000) 4.846 1.572 ( 6.028 4.385 0.000) 7.454 1.642 ( 1.048 3.689 0.000) 3.835 1.681 ( 0.347 4.721 0.000) 4.734 1.749 ( 0.653 -3.649 0.000) 3.707 1.817 ( 7.106 6.548 0.000) 9.663 1.850 ( 7.194 3.577 0.000) 8.034 1.899 ( 1.975 3.252 0.000) 3.805 1.922 ( 5.710 -1.738 0.000) 5.968 1.949 ( 8.593 1.755 0.000) 8.770 2.058 ( 2.495 4.261 0.000) 4.938 2.092 ( 0.259 -2.985 0.000) 2.996 2.121 ( 0.696 -1.064 0.000) 1.271 2.161 ( 0.319 -0.817 0.000) 0.877 2.223 ( 2.383 -2.128 0.000) 3.195 2.359 ( 2.797 1.980 0.000) 3.427 2.422 ( 2.352 -2.507 0.000) 3.438 2.572 ( 4.928 3.184 0.000) 5.867 2.613 ( 8.578 4.544 0.000) 9.707 2.725 ( 8.068 4.143 0.000) 9.069 2.787 ( 8.832 4.590 0.000) 9.954 2.935 ( 6.257 5.801 0.000) 8.532 2.952 ( 15.293 -2.944 0.000) 15.573 3.120 ( 0.302 4.140 0.000) 4.151 3.221 ( 6.229 -4.129 0.000) 7.473 3.402 ( -1.286 2.283 0.000) 2.620 3.570 ( 3.641 -3.349 0.000) 4.947 3.664 ( -1.364 18.773 0.000) 18.822 3.691 ( 5.819 1.040 0.000) 5.911 3.826 ( 1.159 -4.505 0.000) 4.652 3.986 ( -1.042 -3.111 0.000) 3.281 4.214 ( 17.564 -13.299 0.000) 22.031 4.273 ( 0.731 -10.576 0.000) 10.601 4.447 ( 7.008 0.424 0.000) 7.021 4.559 ( 9.104 -8.492 0.000) 12.449 4.716 ( 9.365 -3.062 0.000) 9.853 4.742 ( 3.091 -4.340 0.000) 5.328 4.937 ( -2.319 -2.289 0.000) 3.259 5.008 ( -3.691 -6.487 0.000) 7.464 5.170 ( -4.776 2.914 0.000) 5.595 5.317 ( 0.737 -10.944 0.000) 10.969 5.569 ( -4.090 0.433 0.000) 4.113 5.593 ( -8.499 -2.108 0.000) 8.757 5.659 ( 2.507 7.146 0.000) 7.573 5.805 ( 1.187 -5.534 0.000) 5.660 5.897 ( 0.769 3.204 0.000) 3.295 5.943 ( 0.017 0.383 0.000) 0.384 5.973 ( -0.898 1.682 0.000) 1.907 6.008 ( 0.543 -2.818 0.000) 2.870 6.157 ( -1.164 2.440 0.000) 2.703 6.215 ( -0.022 -3.854 0.000) 3.854 6.485 ( -2.764 1.142 0.000) 2.991 6.511 ( -4.745 -1.423 0.000) 4.953 6.549 ( -5.065 5.315 0.000) 7.342 6.633 ( -4.467 -3.004 0.000) 5.383 6.829 ( -1.185 2.477 0.000) 2.746 6.866 ( -0.327 -1.497 0.000) 1.532 7.223 ( -3.013 4.520 0.000) 5.433 7.268 ( -2.963 0.742 0.000) 3.055 7.455 ( 5.082 8.384 0.000) 9.804 7.583 ( 3.860 -3.025 0.000) 4.904 7.974 ( -6.323 2.368 0.000) 6.752 8.041 ( -8.300 -3.306 0.000) 8.935 8.243 ( -9.679 5.910 0.000) 11.341 8.368 ( -9.514 -6.180 0.000) 11.345 8.432 ( -10.345 4.218 0.000) 11.171 8.523 ( -11.857 -2.753 0.000) 12.173 8.659 ( -1.959 1.857 0.000) 2.700 8.702 ( -3.794 -1.509 0.000) 4.083 8.806 ( -2.597 5.803 0.000) 6.358 8.877 ( -2.249 1.494 0.000) 2.700 8.942 ( 0.067 0.967 0.000) 0.969 9.039 ( 1.388 -5.248 0.000) 5.428 9.161 ( 5.496 3.172 0.000) 6.346 9.220 ( 3.834 -1.416 0.000) 4.087 9.397 ( 1.684 4.105 0.000) 4.437 9.524 ( -0.085 -4.113 0.000) 4.114 9.540 ( -0.020 0.413 0.000) 0.413 9.572 ( -2.150 0.251 0.000) 2.165 9.675 ( 0.942 2.643 0.000) 2.806 9.793 ( 1.069 -6.492 0.000) 6.580 9.842 ( 2.892 1.834 0.000) 3.425 9.878 ( 1.966 -1.783 0.000) 2.655 10.056 ( -0.864 2.414 0.000) 2.564 10.083 ( 2.299 -0.230 0.000) 2.310 10.183 ( 1.312 2.306 0.000) 2.653 10.219 ( -0.956 -0.758 0.000) 1.220 10.445 ( -1.906 0.582 0.000) 1.993 10.457 ( -1.808 -0.327 0.000) 1.838 11.483 ( -1.394 3.866 0.000) 4.110 11.588 ( -2.236 -6.072 0.000) 6.471 11.763 ( 3.812 2.125 0.000) 4.364 11.819 ( 4.906 -3.123 0.000) 5.816 12.979 ( -3.281 0.076 0.000) 3.282 13.004 ( -2.670 -2.058 0.000) 3.371 13.379 ( -0.585 4.185 0.000) 4.226 13.473 ( 0.335 -4.865 0.000) 4.877 13.653 ( 0.254 1.481 0.000) 1.503 13.671 ( -0.628 -0.241 0.000) 0.672 13.959 ( -3.436 0.985 0.000) 3.575 13.965 ( -5.697 -0.193 0.000) 5.701 14.069 ( 0.422 2.050 0.000) 2.093 14.103 ( -0.676 -1.189 0.000) 1.368 14.310 ( 6.097 0.227 0.000) 6.101 14.339 ( 4.407 -2.269 0.000) 4.957 14.486 ( -0.513 3.044 0.000) 3.087 14.543 ( -0.744 -1.695 0.000) 1.851 14.597 ( -0.378 1.367 0.000) 1.418 14.638 ( -0.930 -2.286 0.000) 2.468 14.782 ( 2.511 5.692 0.000) 6.221 14.899 ( 2.724 -2.952 0.000) 4.016 14.984 ( -1.059 0.996 0.000) 1.453 15.030 ( -1.452 -4.630 0.000) 4.852 15.093 ( -0.077 0.906 0.000) 0.909 15.133 ( 0.079 -3.054 0.000) 3.055 15.173 ( 1.466 0.331 0.000) 1.503 15.191 ( 1.029 -1.178 0.000) 1.565 15.344 ( -2.500 0.248 0.000) 2.512 15.353 ( -1.913 -0.363 0.000) 1.947 15.686 ( 3.888 3.064 0.000) 4.951 15.748 ( 4.172 -3.475 0.000) 5.430 15.852 ( 11.787 4.634 0.000) 12.665 15.938 ( 13.118 -4.264 0.000) 13.793 19.412 ( -1.677 4.828 0.000) 5.111 19.513 ( -2.508 -5.408 0.000) 5.961 19.586 ( -1.906 3.589 0.000) 4.064 19.655 ( -3.278 -3.190 0.000) 4.574 20.007 ( 4.128 0.193 0.000) 4.132 20.023 ( 3.996 -1.521 0.000) 4.276 21.003 ( -2.231 3.724 0.000) 4.341 21.062 ( -2.839 -2.231 0.000) 3.611 21.144 ( 0.762 1.659 0.000) 1.826 21.182 ( 0.314 -2.006 0.000) 2.031 22.418 ( -5.217 2.217 0.000) 5.668 22.443 ( -3.825 -0.578 0.000) 3.868 26.488 ( -5.399 4.746 0.000) 7.188 26.594 ( -6.123 -5.949 0.000) 8.538 26.926 ( 9.085 3.852 0.000) 9.868 26.960 ( 6.711 1.609 0.000) 6.901 27.179 ( 7.364 -1.892 0.000) 7.603 27.248 ( 5.422 -7.608 0.000) 9.342 27.754 ( -0.362 3.595 0.000) 3.613 27.828 ( 2.305 -4.229 0.000) 4.816 27.988 ( -6.478 6.949 0.000) 9.501 28.061 ( 0.079 -0.903 0.000) 0.906 28.088 ( -1.339 1.084 0.000) 1.723 28.149 ( -3.530 -5.416 0.000) 6.465 28.297 ( -5.692 8.795 0.000) 10.476 28.523 ( -9.287 -13.551 0.000) 16.428 28.749 ( 8.152 14.464 0.000) 16.603 28.795 ( 10.818 15.240 0.000) 18.690 28.998 ( 5.975 -4.590 0.000) 7.534 29.061 ( 6.655 -9.315 0.000) 11.448 29.106 ( 2.906 -4.851 0.000) 5.655 29.112 ( 0.561 -1.971 0.000) 2.050 29.354 ( -1.359 3.781 0.000) 4.017 29.464 ( -3.951 -7.377 0.000) 8.368 29.945 ( -1.529 2.051 0.000) 2.558 29.973 ( -1.210 -0.678 0.000) 1.387 30.055 ( -0.858 1.217 0.000) 1.489 30.070 ( 0.016 -0.539 0.000) 0.539 30.203 ( 1.270 3.788 0.000) 3.995 30.262 ( 2.477 -2.037 0.000) 3.207 30.477 ( 1.037 0.078 0.000) 1.040 30.486 ( 1.120 -0.872 0.000) 1.420 30.628 ( 1.617 2.850 0.000) 3.277 30.703 ( 3.233 -4.677 0.000) 5.685 31.438 ( -6.177 10.782 0.000) 12.426 31.627 ( -2.796 11.733 0.000) 12.062 31.661 ( -5.443 -7.982 0.000) 9.661 31.903 ( -5.200 -12.525 0.000) 13.561 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.586 9.241 0.000) 10.798 1.255 ( 3.792 2.174 0.000) 4.371 1.292 ( 3.015 1.911 0.000) 3.570 1.314 ( 4.398 1.423 0.000) 4.622 1.373 ( -0.584 -1.314 0.000) 1.438 1.407 ( -0.386 -1.748 0.000) 1.790 1.435 ( -1.480 3.127 0.000) 3.460 1.471 ( -3.355 0.255 0.000) 3.365 1.550 ( 2.742 5.142 0.000) 5.828 1.614 ( 1.135 1.153 0.000) 1.618 1.622 ( 0.875 0.190 0.000) 0.895 1.641 ( -0.779 1.797 0.000) 1.958 1.740 ( 3.976 3.997 0.000) 5.638 1.785 ( 2.458 -2.504 0.000) 3.509 1.886 ( 0.217 0.536 0.000) 0.578 1.916 ( 0.780 -1.642 0.000) 1.818 1.990 ( 5.216 4.503 0.000) 6.890 2.033 ( 2.130 0.629 0.000) 2.221 2.065 ( 3.020 -0.389 0.000) 3.045 2.102 ( -0.118 -0.103 0.000) 0.157 2.110 ( 1.623 -2.056 0.000) 2.620 2.127 ( -1.007 -1.825 0.000) 2.084 2.198 ( 3.978 2.001 0.000) 4.453 2.258 ( 1.157 -2.608 0.000) 2.852 2.435 ( 5.205 5.221 0.000) 7.373 2.513 ( 7.344 -3.011 0.000) 7.937 2.700 ( 5.803 4.498 0.000) 7.342 2.765 ( 4.056 12.612 0.000) 13.248 2.869 ( 5.067 -0.932 0.000) 5.152 2.959 ( 0.131 -0.598 0.000) 0.612 3.027 ( 1.185 -0.429 0.000) 1.260 3.103 ( -3.043 1.603 0.000) 3.440 3.237 ( 1.044 -13.969 0.000) 14.008 3.332 ( 3.898 -15.445 0.000) 15.929 3.416 ( 1.175 4.944 0.000) 5.082 3.579 ( 6.344 -7.677 0.000) 9.960 3.791 ( 12.143 4.869 0.000) 13.083 3.854 ( 6.609 -0.783 0.000) 6.655 4.088 ( 22.253 7.921 0.000) 23.621 4.192 ( 22.107 -1.314 0.000) 22.146 4.284 ( 1.148 8.202 0.000) 8.282 4.406 ( -3.543 -1.935 0.000) 4.036 4.676 ( 10.790 1.766 0.000) 10.933 4.750 ( 12.189 -6.106 0.000) 13.633 4.833 ( 3.068 5.683 0.000) 6.458 4.932 ( 4.254 0.371 0.000) 4.270 4.990 ( 1.622 -2.749 0.000) 3.192 5.041 ( 14.639 -0.023 0.000) 14.639 5.086 ( -1.349 -1.712 0.000) 2.180 5.207 ( -9.224 -1.708 0.000) 9.380 5.452 ( -3.288 -4.654 0.000) 5.698 5.469 ( -2.728 -6.197 0.000) 6.771 5.754 ( 5.221 4.305 0.000) 6.768 5.842 ( 0.303 -0.082 0.000) 0.314 5.857 ( -2.348 2.284 0.000) 3.275 5.948 ( -0.524 4.036 0.000) 4.070 5.951 ( -1.006 -3.638 0.000) 3.775 6.032 ( 2.167 -5.075 0.000) 5.518 6.129 ( -1.459 3.088 0.000) 3.415 6.215 ( -0.689 -5.205 0.000) 5.250 6.339 ( -8.002 1.022 0.000) 8.067 6.364 ( -6.551 -0.624 0.000) 6.581 6.495 ( -1.022 2.763 0.000) 2.945 6.545 ( -3.235 -1.600 0.000) 3.609 6.840 ( 0.500 3.167 0.000) 3.206 6.879 ( -0.690 -0.265 0.000) 0.739 7.179 ( -1.764 3.508 0.000) 3.927 7.190 ( -4.164 2.652 0.000) 4.937 7.474 ( -3.807 3.750 0.000) 5.344 7.524 ( -9.012 0.509 0.000) 9.027 7.694 ( -17.907 0.436 0.000) 17.912 7.739 ( -19.222 -2.318 0.000) 19.361 8.012 ( -4.991 7.665 0.000) 9.147 8.140 ( -6.078 -2.259 0.000) 6.484 8.277 ( -3.716 -0.479 0.000) 3.747 8.388 ( -4.867 -7.945 0.000) 9.317 8.611 ( -1.812 0.316 0.000) 1.839 8.652 ( -1.914 -3.220 0.000) 3.746 8.872 ( 5.516 2.223 0.000) 5.948 8.901 ( 3.728 -0.636 0.000) 3.782 8.950 ( 1.280 4.921 0.000) 5.084 9.038 ( -0.356 -2.748 0.000) 2.771 9.261 ( 4.163 2.647 0.000) 4.934 9.298 ( 2.896 -0.961 0.000) 3.052 9.427 ( 0.962 2.438 0.000) 2.621 9.492 ( -0.317 -2.861 0.000) 2.879 9.530 ( -1.965 -0.606 0.000) 2.056 9.541 ( -1.530 -1.285 0.000) 1.998 9.728 ( 2.654 1.465 0.000) 3.032 9.796 ( -1.154 -4.387 0.000) 4.536 9.906 ( 2.358 0.688 0.000) 2.456 9.941 ( 4.104 -2.928 0.000) 5.041 10.023 ( -1.562 3.384 0.000) 3.727 10.102 ( -0.753 -3.772 0.000) 3.847 10.183 ( -1.524 0.769 0.000) 1.707 10.190 ( -1.504 -0.012 0.000) 1.505 10.418 ( -0.136 1.158 0.000) 1.166 10.436 ( -0.222 -0.611 0.000) 0.650 11.470 ( 0.290 1.682 0.000) 1.707 11.537 ( -2.393 -5.101 0.000) 5.635 11.869 ( 5.392 3.500 0.000) 6.428 11.918 ( 3.813 -1.256 0.000) 4.014 12.911 ( -2.698 1.085 0.000) 2.908 12.933 ( -3.500 -0.961 0.000) 3.629 13.385 ( 1.433 4.155 0.000) 4.395 13.467 ( -0.832 -3.690 0.000) 3.782 13.625 ( -3.196 0.865 0.000) 3.311 13.637 ( -2.744 -0.412 0.000) 2.775 13.892 ( 0.754 3.112 0.000) 3.202 13.940 ( 0.935 -1.143 0.000) 1.476 14.064 ( -1.153 0.600 0.000) 1.300 14.071 ( -2.250 0.135 0.000) 2.254 14.388 ( 1.270 -0.560 0.000) 1.388 14.402 ( 0.773 -1.869 0.000) 2.023 14.490 ( 1.148 3.325 0.000) 3.517 14.529 ( -0.749 -0.450 0.000) 0.873 14.596 ( 0.939 1.795 0.000) 2.026 14.651 ( 2.022 -2.905 0.000) 3.539 14.803 ( -0.498 4.931 0.000) 4.956 14.954 ( -4.271 -9.408 0.000) 10.332 14.989 ( 3.217 1.343 0.000) 3.486 15.005 ( 2.330 -0.767 0.000) 2.453 15.118 ( 2.458 1.274 0.000) 2.768 15.151 ( 1.912 -1.690 0.000) 2.552 15.192 ( 0.437 1.028 0.000) 1.117 15.215 ( 0.198 -1.241 0.000) 1.257 15.271 ( -3.431 0.453 0.000) 3.461 15.296 ( -2.591 -2.195 0.000) 3.396 15.768 ( 3.922 3.484 0.000) 5.246 15.824 ( 2.593 -2.487 0.000) 3.592 16.094 ( 9.062 4.188 0.000) 9.983 16.153 ( 6.179 -1.363 0.000) 6.328 19.401 ( 0.837 2.120 0.000) 2.279 19.465 ( -1.791 -4.085 0.000) 4.460 19.539 ( -2.227 1.415 0.000) 2.639 19.577 ( -3.867 -2.292 0.000) 4.495 20.092 ( 3.441 0.490 0.000) 3.476 20.103 ( 3.084 -0.682 0.000) 3.158 20.959 ( -1.561 2.078 0.000) 2.599 20.996 ( -3.025 -1.725 0.000) 3.482 21.158 ( 0.460 1.153 0.000) 1.242 21.178 ( -0.552 -0.898 0.000) 1.054 22.340 ( -1.955 2.028 0.000) 2.817 22.368 ( -2.871 -0.906 0.000) 3.011 26.407 ( -2.126 3.257 0.000) 3.889 26.473 ( -4.870 -3.457 0.000) 5.973 27.094 ( 6.104 2.573 0.000) 6.624 27.114 ( 7.078 1.292 0.000) 7.195 27.334 ( 7.247 0.347 0.000) 7.256 27.407 ( 8.122 -5.748 0.000) 9.950 27.743 ( -0.672 4.613 0.000) 4.662 27.816 ( -5.505 1.453 0.000) 5.694 27.879 ( -0.419 -0.033 0.000) 0.421 28.009 ( -6.226 -9.521 0.000) 11.375 28.075 ( -0.620 0.334 0.000) 0.704 28.083 ( -1.073 -0.755 0.000) 1.312 28.194 ( -2.835 3.884 0.000) 4.809 28.335 ( -8.130 -10.238 0.000) 13.074 28.950 ( 9.812 12.556 0.000) 15.935 29.025 ( 9.708 12.257 0.000) 15.636 29.073 ( 2.231 3.368 0.000) 4.040 29.103 ( 0.300 -0.729 0.000) 0.788 29.168 ( 3.090 -4.326 0.000) 5.316 29.198 ( 1.938 -3.301 0.000) 3.828 29.324 ( -1.448 1.757 0.000) 2.276 29.371 ( -4.217 -2.719 0.000) 5.018 29.910 ( -1.356 1.252 0.000) 1.846 29.930 ( -2.115 -0.493 0.000) 2.172 30.071 ( 1.318 0.180 0.000) 1.331 30.084 ( 0.800 -1.320 0.000) 1.543 30.225 ( 1.118 2.968 0.000) 3.171 30.288 ( -0.181 -2.804 0.000) 2.810 30.476 ( -0.726 0.722 0.000) 1.024 30.486 ( -0.433 -0.180 0.000) 0.469 30.697 ( 4.077 3.637 0.000) 5.464 30.772 ( 2.183 -2.799 0.000) 3.550 31.298 ( -4.081 4.748 0.000) 6.261 31.472 ( -9.575 -10.858 0.000) 14.476 31.669 ( 3.399 6.222 0.000) 7.090 31.811 ( -3.524 -7.881 0.000) 8.633 ======================= Grid point 17 (12/36) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.395 2.543 0.000) 2.574 1.300 ( 0.395 2.543 0.000) 2.574 1.351 ( -0.631 0.849 0.000) 1.058 1.351 ( 0.631 0.849 0.000) 1.058 1.366 ( -2.679 2.232 0.000) 3.487 1.366 ( 2.679 2.232 0.000) 3.487 1.415 ( -1.238 -0.530 0.000) 1.346 1.415 ( 1.238 -0.530 0.000) 1.346 1.602 ( -1.976 2.233 0.000) 2.982 1.602 ( 1.976 2.233 0.000) 2.982 1.630 ( -0.273 0.856 0.000) 0.898 1.630 ( 0.273 0.856 0.000) 0.898 1.805 ( -1.310 1.313 0.000) 1.855 1.805 ( 1.310 1.313 0.000) 1.855 1.906 ( -1.204 -1.685 0.000) 2.071 1.906 ( 1.204 -1.685 0.000) 2.071 2.042 ( -1.058 2.485 0.000) 2.701 2.042 ( 1.058 2.485 0.000) 2.701 2.101 ( -0.939 -1.703 0.000) 1.945 2.101 ( 0.939 -1.703 0.000) 1.945 2.117 ( -0.815 0.609 0.000) 1.017 2.117 ( 0.815 0.609 0.000) 1.017 2.261 ( -1.460 -1.957 0.000) 2.442 2.261 ( 1.460 -1.957 0.000) 2.442 2.604 ( -8.251 9.387 0.000) 12.498 2.604 ( 8.251 9.387 0.000) 12.498 2.765 ( -7.069 -6.140 0.000) 9.364 2.765 ( 7.069 -6.140 0.000) 9.364 2.908 ( -5.027 3.816 0.000) 6.311 2.908 ( 5.027 3.816 0.000) 6.311 3.022 ( -2.139 -2.977 0.000) 3.666 3.022 ( 2.139 -2.977 0.000) 3.666 3.216 ( -4.476 -12.803 0.000) 13.563 3.216 ( 4.476 -12.803 0.000) 13.563 3.669 ( -11.486 0.417 0.000) 11.493 3.669 ( 11.486 0.417 0.000) 11.493 3.904 ( -9.095 -1.326 0.000) 9.191 3.904 ( 9.095 -1.326 0.000) 9.191 4.274 ( -2.194 0.902 0.000) 2.372 4.274 ( 2.194 0.902 0.000) 2.372 4.566 ( -13.219 9.031 0.000) 16.009 4.566 ( 13.219 9.031 0.000) 16.009 4.763 ( -10.015 -5.066 0.000) 11.223 4.763 ( 10.015 -5.066 0.000) 11.223 4.915 ( -3.280 6.802 0.000) 7.551 4.915 ( 3.280 6.802 0.000) 7.551 4.964 ( -5.460 4.437 0.000) 7.036 4.964 ( 5.460 4.437 0.000) 7.036 5.309 ( -3.064 -0.252 0.000) 3.074 5.309 ( 3.064 -0.252 0.000) 3.074 5.408 ( -3.893 -6.019 0.000) 7.168 5.408 ( 3.893 -6.019 0.000) 7.168 5.823 ( -2.939 -0.849 0.000) 3.059 5.823 ( 2.939 -0.849 0.000) 3.059 5.865 ( -2.903 -1.432 0.000) 3.237 5.865 ( 2.903 -1.432 0.000) 3.237 6.015 ( -6.354 4.899 0.000) 8.023 6.015 ( 6.354 4.899 0.000) 8.023 6.168 ( -4.914 -5.973 0.000) 7.734 6.168 ( 4.914 -5.973 0.000) 7.734 6.260 ( -2.057 0.939 0.000) 2.261 6.260 ( 2.057 0.939 0.000) 2.261 6.503 ( -1.354 -0.334 0.000) 1.395 6.503 ( 1.354 -0.334 0.000) 1.395 6.840 ( -0.930 2.788 0.000) 2.939 6.840 ( 0.930 2.788 0.000) 2.939 7.141 ( -0.727 1.026 0.000) 1.257 7.141 ( 0.727 1.026 0.000) 1.257 7.398 ( -2.283 3.802 0.000) 4.435 7.398 ( 2.283 3.802 0.000) 4.435 7.472 ( -2.431 -2.995 0.000) 3.857 7.472 ( 2.431 -2.995 0.000) 3.857 8.051 ( -4.854 6.906 0.000) 8.441 8.051 ( 4.854 6.906 0.000) 8.441 8.279 ( -4.239 -9.102 0.000) 10.040 8.279 ( 4.239 -9.102 0.000) 10.040 8.617 ( -1.623 -0.928 0.000) 1.869 8.617 ( 1.623 -0.928 0.000) 1.869 8.915 ( -0.162 0.715 0.000) 0.733 8.915 ( 0.162 0.715 0.000) 0.733 9.034 ( -2.067 0.700 0.000) 2.183 9.034 ( 2.067 0.700 0.000) 2.183 9.323 ( -0.951 -0.017 0.000) 0.951 9.323 ( 0.951 -0.017 0.000) 0.951 9.467 ( -3.154 1.242 0.000) 3.390 9.467 ( 3.154 1.242 0.000) 3.390 9.504 ( -1.810 -2.524 0.000) 3.105 9.504 ( 1.810 -2.524 0.000) 3.105 9.766 ( -1.354 -0.527 0.000) 1.453 9.766 ( 1.354 -0.527 0.000) 1.453 9.958 ( -2.279 1.576 0.000) 2.771 9.958 ( 2.279 1.576 0.000) 2.771 10.051 ( -3.523 -5.100 0.000) 6.199 10.051 ( 3.523 -5.100 0.000) 6.199 10.165 ( -0.302 0.485 0.000) 0.571 10.165 ( 0.302 0.485 0.000) 0.571 10.430 ( -0.657 0.556 0.000) 0.861 10.430 ( 0.657 0.556 0.000) 0.861 11.493 ( -1.746 -1.821 0.000) 2.523 11.493 ( 1.746 -1.821 0.000) 2.523 11.948 ( -1.378 1.740 0.000) 2.219 11.948 ( 1.378 1.740 0.000) 2.219 12.886 ( -0.576 0.426 0.000) 0.716 12.886 ( 0.576 0.426 0.000) 0.716 13.432 ( -2.521 1.249 0.000) 2.813 13.432 ( 2.521 1.249 0.000) 2.814 13.588 ( -0.599 0.137 0.000) 0.615 13.588 ( 0.599 0.137 0.000) 0.615 13.943 ( -2.142 1.262 0.000) 2.486 13.943 ( 2.142 1.262 0.000) 2.486 14.039 ( -0.635 -0.263 0.000) 0.687 14.039 ( 0.635 -0.263 0.000) 0.687 14.398 ( -0.364 -1.351 0.000) 1.399 14.398 ( 0.364 -1.351 0.000) 1.399 14.511 ( -0.817 1.196 0.000) 1.448 14.511 ( 0.817 1.196 0.000) 1.448 14.646 ( -2.829 2.686 0.000) 3.901 14.646 ( 2.829 2.686 0.000) 3.901 14.843 ( -4.853 -4.613 0.000) 6.696 14.843 ( 4.853 -4.613 0.000) 6.696 15.036 ( -0.305 -0.157 0.000) 0.343 15.036 ( 0.305 -0.157 0.000) 0.343 15.167 ( -1.495 0.360 0.000) 1.538 15.167 ( 1.495 0.360 0.000) 1.538 15.193 ( -0.464 0.993 0.000) 1.095 15.193 ( 0.464 0.993 0.000) 1.095 15.257 ( -1.469 -3.085 0.000) 3.417 15.257 ( 1.469 -3.085 0.000) 3.417 15.834 ( -1.732 1.231 0.000) 2.125 15.834 ( 1.732 1.231 0.000) 2.125 16.201 ( -1.323 1.955 0.000) 2.361 16.201 ( 1.323 1.955 0.000) 2.361 19.434 ( -1.683 -0.943 0.000) 1.929 19.434 ( 1.683 -0.943 0.000) 1.929 19.518 ( -0.984 -1.023 0.000) 1.419 19.518 ( 0.984 -1.023 0.000) 1.419 20.134 ( -0.323 0.229 0.000) 0.395 20.134 ( 0.323 0.229 0.000) 0.395 20.952 ( -0.965 -0.015 0.000) 0.966 20.952 ( 0.965 -0.015 0.000) 0.966 21.166 ( -0.486 0.143 0.000) 0.507 21.166 ( 0.486 0.143 0.000) 0.507 22.330 ( -0.763 0.277 0.000) 0.812 22.330 ( 0.763 0.277 0.000) 0.812 26.403 ( -1.714 0.172 0.000) 1.723 26.403 ( 1.714 0.172 0.000) 1.723 27.178 ( -1.100 0.484 0.000) 1.202 27.178 ( 1.100 0.484 0.000) 1.202 27.468 ( -3.778 2.326 0.000) 4.436 27.468 ( 3.778 2.326 0.000) 4.436 27.742 ( -1.450 0.705 0.000) 1.612 27.742 ( 1.450 0.705 0.000) 1.612 27.895 ( -2.806 -5.384 0.000) 6.071 27.895 ( 2.806 -5.384 0.000) 6.071 28.068 ( -0.433 -0.357 0.000) 0.561 28.068 ( 0.433 -0.357 0.000) 0.561 28.205 ( -3.740 -4.299 0.000) 5.698 28.205 ( 3.740 -4.299 0.000) 5.698 29.086 ( -1.535 1.816 0.000) 2.378 29.086 ( 1.535 1.816 0.000) 2.378 29.141 ( -5.715 6.583 0.000) 8.718 29.141 ( 5.715 6.583 0.000) 8.718 29.184 ( -3.146 3.201 0.000) 4.488 29.184 ( 3.146 3.201 0.000) 4.488 29.312 ( -1.573 1.826 0.000) 2.410 29.312 ( 1.573 1.826 0.000) 2.410 29.900 ( -0.544 0.317 0.000) 0.629 29.900 ( 0.544 0.317 0.000) 0.629 30.090 ( -0.345 -0.949 0.000) 1.009 30.090 ( 0.345 -0.949 0.000) 1.009 30.260 ( -2.018 -1.140 0.000) 2.318 30.260 ( 2.018 -1.140 0.000) 2.318 30.473 ( -0.488 0.141 0.000) 0.507 30.473 ( 0.488 0.141 0.000) 0.507 30.769 ( -2.330 2.194 0.000) 3.201 30.769 ( 2.330 2.194 0.000) 3.201 31.311 ( -4.914 -6.216 0.000) 7.924 31.311 ( 4.914 -6.216 0.000) 7.924 31.742 ( -3.355 -1.099 0.000) 3.530 31.742 ( 3.355 -1.099 0.000) 3.530 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 0.000 20.362) 20.362 0.632 ( 0.000 0.000 22.897) 22.897 0.829 ( 0.000 0.000 1.914) 1.914 0.996 ( 0.000 0.000 5.268) 5.268 1.040 ( 0.000 0.000 41.785) 41.785 1.172 ( 0.000 0.000 0.390) 0.390 1.256 ( 0.000 0.000 1.267) 1.267 1.315 ( 0.000 0.000 10.603) 10.603 1.422 ( 0.000 0.000 9.014) 9.014 1.477 ( 0.000 0.000 0.540) 0.540 1.518 ( 0.000 0.000 -0.945) 0.945 1.567 ( 0.000 0.000 1.565) 1.565 1.583 ( 0.000 0.000 0.193) 0.193 1.625 ( 0.000 0.000 -0.471) 0.471 1.663 ( 0.000 0.000 4.839) 4.839 1.669 ( 0.000 0.000 0.463) 0.463 1.748 ( 0.000 0.000 -5.625) 5.625 1.864 ( 0.000 0.000 4.415) 4.415 1.932 ( 0.000 0.000 0.171) 0.171 2.005 ( 0.000 0.000 -1.362) 1.362 2.075 ( 0.000 0.000 -2.472) 2.472 2.076 ( 0.000 0.000 -0.735) 0.735 2.248 ( 0.000 0.000 5.364) 5.364 2.274 ( 0.000 0.000 -0.343) 0.343 2.276 ( 0.000 0.000 0.684) 0.684 2.329 ( 0.000 0.000 2.086) 2.086 2.375 ( 0.000 0.000 0.305) 0.305 2.410 ( 0.000 0.000 -2.721) 2.721 2.642 ( 0.000 0.000 10.789) 10.789 2.715 ( 0.000 0.000 -7.132) 7.132 2.806 ( 0.000 0.000 9.393) 9.393 2.845 ( 0.000 0.000 5.335) 5.335 2.952 ( 0.000 0.000 12.724) 12.724 2.997 ( 0.000 0.000 13.044) 13.044 3.138 ( 0.000 0.000 -6.579) 6.579 3.462 ( 0.000 0.000 21.689) 21.689 3.683 ( 0.000 0.000 -8.110) 8.110 3.781 ( 0.000 0.000 6.661) 6.661 3.874 ( 0.000 0.000 0.335) 0.335 3.963 ( 0.000 0.000 -22.200) 22.200 4.278 ( 0.000 0.000 -5.914) 5.914 4.470 ( 0.000 0.000 -28.882) 28.882 4.604 ( 0.000 0.000 6.894) 6.894 4.775 ( 0.000 0.000 -20.009) 20.009 4.937 ( 0.000 0.000 -8.347) 8.347 4.981 ( 0.000 0.000 -15.561) 15.561 5.068 ( 0.000 0.000 1.098) 1.098 5.180 ( 0.000 0.000 -5.820) 5.820 5.223 ( 0.000 0.000 -0.888) 0.888 5.416 ( 0.000 0.000 -1.143) 1.143 5.512 ( 0.000 0.000 -9.359) 9.359 5.540 ( 0.000 0.000 -2.282) 2.282 5.810 ( 0.000 0.000 4.582) 4.582 5.851 ( 0.000 0.000 4.519) 4.519 5.889 ( 0.000 0.000 0.402) 0.402 5.892 ( 0.000 0.000 3.556) 3.556 5.995 ( 0.000 0.000 -0.388) 0.388 6.016 ( 0.000 0.000 1.424) 1.424 6.215 ( 0.000 0.000 2.831) 2.831 6.247 ( 0.000 0.000 -2.657) 2.657 6.341 ( 0.000 0.000 -7.573) 7.573 6.412 ( 0.000 0.000 -9.016) 9.016 6.525 ( 0.000 0.000 4.029) 4.029 6.587 ( 0.000 0.000 -1.394) 1.394 6.840 ( 0.000 0.000 -5.036) 5.036 6.877 ( 0.000 0.000 6.365) 6.365 7.158 ( 0.000 0.000 5.629) 5.629 7.223 ( 0.000 0.000 6.277) 6.277 7.469 ( 0.000 0.000 18.371) 18.371 7.831 ( 0.000 0.000 12.737) 12.737 7.972 ( 0.000 0.000 2.361) 2.361 8.081 ( 0.000 0.000 -0.222) 0.222 8.131 ( 0.000 0.000 -8.927) 8.927 8.289 ( 0.000 0.000 -9.097) 9.097 8.544 ( 0.000 0.000 0.144) 0.144 8.587 ( 0.000 0.000 1.764) 1.764 8.639 ( 0.000 0.000 2.617) 2.617 8.681 ( 0.000 0.000 -1.341) 1.341 8.732 ( 0.000 0.000 -0.920) 0.920 8.764 ( 0.000 0.000 0.215) 0.215 8.926 ( 0.000 0.000 0.003) 0.003 9.040 ( 0.000 0.000 -1.313) 1.313 9.096 ( 0.000 0.000 4.222) 4.222 9.296 ( 0.000 0.000 9.518) 9.518 9.390 ( 0.000 0.000 -2.900) 2.900 9.436 ( 0.000 0.000 -0.158) 0.158 9.507 ( 0.000 0.000 1.426) 1.426 9.614 ( 0.000 0.000 1.689) 1.689 9.661 ( 0.000 0.000 1.355) 1.355 9.749 ( 0.000 0.000 -4.488) 4.488 9.798 ( 0.000 0.000 2.746) 2.746 9.854 ( 0.000 0.000 1.028) 1.028 9.937 ( 0.000 0.000 -4.158) 4.158 10.027 ( 0.000 0.000 -5.163) 5.163 10.092 ( 0.000 0.000 -0.469) 0.469 10.173 ( 0.000 0.000 -5.223) 5.223 10.553 ( 0.000 0.000 9.420) 9.420 10.989 ( 0.000 0.000 4.457) 4.457 11.102 ( 0.000 0.000 -16.962) 16.962 11.413 ( 0.000 0.000 -16.128) 16.128 12.038 ( 0.000 0.000 23.434) 23.434 12.376 ( 0.000 0.000 25.451) 25.451 12.884 ( 0.000 0.000 -13.252) 13.252 13.117 ( 0.000 0.000 -5.844) 5.844 13.436 ( 0.000 0.000 0.557) 0.557 13.439 ( 0.000 0.000 -3.929) 3.929 13.633 ( 0.000 0.000 2.403) 2.403 13.679 ( 0.000 0.000 6.666) 6.666 13.860 ( 0.000 0.000 -3.059) 3.059 13.882 ( 0.000 0.000 -7.861) 7.861 14.035 ( 0.000 0.000 -3.116) 3.116 14.041 ( 0.000 0.000 -7.514) 7.514 14.359 ( 0.000 0.000 3.020) 3.020 14.441 ( 0.000 0.000 2.057) 2.057 14.488 ( 0.000 0.000 -0.250) 0.250 14.542 ( 0.000 0.000 -4.432) 4.432 14.631 ( 0.000 0.000 5.393) 5.393 14.636 ( 0.000 0.000 6.331) 6.331 14.716 ( 0.000 0.000 0.935) 0.935 14.777 ( 0.000 0.000 1.111) 1.111 14.947 ( 0.000 0.000 -0.424) 0.424 14.948 ( 0.000 0.000 -7.823) 7.823 15.095 ( 0.000 0.000 -2.356) 2.356 15.146 ( 0.000 0.000 -6.649) 6.649 15.278 ( 0.000 0.000 6.126) 6.126 15.431 ( 0.000 0.000 0.746) 0.746 15.447 ( 0.000 0.000 3.931) 3.931 15.527 ( 0.000 0.000 0.712) 0.712 15.587 ( 0.000 0.000 2.601) 2.601 15.671 ( 0.000 0.000 -1.557) 1.557 15.854 ( 0.000 0.000 3.352) 3.352 16.069 ( 0.000 0.000 -4.354) 4.354 19.335 ( 0.000 0.000 1.972) 1.972 19.458 ( 0.000 0.000 -3.011) 3.011 19.724 ( 0.000 0.000 1.783) 1.783 19.737 ( 0.000 0.000 0.467) 0.467 20.018 ( 0.000 0.000 7.149) 7.149 20.145 ( 0.000 0.000 8.146) 8.146 20.624 ( 0.000 0.000 -18.439) 18.439 20.738 ( 0.000 0.000 -19.942) 19.942 21.454 ( 0.000 0.000 19.444) 19.444 21.695 ( 0.000 0.000 21.803) 21.803 22.110 ( 0.000 0.000 -9.222) 9.222 22.379 ( 0.000 0.000 -8.787) 8.787 26.507 ( 0.000 0.000 0.925) 0.925 26.600 ( 0.000 0.000 -2.937) 2.937 26.957 ( 0.000 0.000 1.691) 1.691 27.036 ( 0.000 0.000 2.447) 2.447 27.192 ( 0.000 0.000 -1.327) 1.327 27.469 ( 0.000 0.000 -9.775) 9.775 27.551 ( 0.000 0.000 5.566) 5.566 27.782 ( 0.000 0.000 -3.212) 3.212 27.843 ( 0.000 0.000 4.345) 4.345 27.958 ( 0.000 0.000 -0.705) 0.705 28.014 ( 0.000 0.000 7.366) 7.366 28.235 ( 0.000 0.000 3.460) 3.460 28.251 ( 0.000 0.000 -2.336) 2.336 28.386 ( 0.000 0.000 9.225) 9.225 28.472 ( 0.000 0.000 -4.277) 4.277 28.953 ( 0.000 0.000 -13.442) 13.442 29.149 ( 0.000 0.000 0.052) 0.052 29.149 ( 0.000 0.000 0.055) 0.055 29.181 ( 0.000 0.000 0.426) 0.426 29.231 ( 0.000 0.000 -0.980) 0.980 29.289 ( 0.000 0.000 3.325) 3.325 29.656 ( 0.000 0.000 -13.186) 13.186 29.916 ( 0.000 0.000 2.541) 2.541 29.967 ( 0.000 0.000 1.895) 1.895 29.992 ( 0.000 0.000 0.399) 0.399 30.010 ( 0.000 0.000 -0.280) 0.280 30.186 ( 0.000 0.000 6.892) 6.892 30.244 ( 0.000 0.000 -0.045) 0.045 30.451 ( 0.000 0.000 2.130) 2.130 30.498 ( 0.000 0.000 -1.801) 1.801 30.606 ( 0.000 0.000 1.537) 1.537 30.737 ( 0.000 0.000 -2.635) 2.635 31.135 ( 0.000 0.000 1.135) 1.135 31.149 ( 0.000 0.000 0.989) 0.989 32.081 ( 0.000 0.000 2.229) 2.229 32.202 ( 0.000 0.000 -2.091) 2.091 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 16.142 0.000 15.456) 22.349 0.880 ( 19.894 0.000 11.994) 23.230 1.050 ( 6.772 0.000 9.897) 11.992 1.063 ( 10.423 0.000 11.078) 15.211 1.263 ( 4.020 0.000 2.302) 4.633 1.293 ( 7.438 0.000 10.875) 13.175 1.379 ( 5.956 0.000 1.667) 6.185 1.400 ( 6.954 0.000 -1.417) 7.097 1.483 ( 2.774 0.000 1.477) 3.142 1.517 ( 2.488 0.000 -0.240) 2.500 1.560 ( 1.063 0.000 2.676) 2.879 1.594 ( 0.598 0.000 -0.553) 0.814 1.615 ( 4.054 0.000 1.580) 4.351 1.683 ( 10.535 0.000 2.637) 10.860 1.733 ( 9.033 0.000 -1.735) 9.199 1.773 ( 8.192 0.000 3.791) 9.026 1.836 ( 9.502 0.000 -3.439) 10.105 1.936 ( 2.290 0.000 2.964) 3.745 1.964 ( 4.885 0.000 1.074) 5.002 2.026 ( 2.583 0.000 1.557) 3.016 2.072 ( 0.794 0.000 -0.598) 0.994 2.122 ( 2.441 0.000 -1.533) 2.883 2.253 ( -1.619 0.000 3.039) 3.443 2.276 ( 0.360 0.000 -1.276) 1.326 2.293 ( 3.634 0.000 3.070) 4.757 2.410 ( 5.875 0.000 -0.703) 5.917 2.426 ( 5.081 0.000 0.904) 5.160 2.453 ( 7.419 0.000 -0.046) 7.419 2.589 ( -9.031 0.000 4.352) 10.025 2.607 ( -2.164 0.000 9.624) 9.864 2.907 ( 9.939 0.000 -4.582) 10.944 2.968 ( 12.193 0.000 -1.781) 12.323 3.108 ( 18.788 0.000 -0.265) 18.789 3.211 ( 12.115 0.000 6.704) 13.846 3.366 ( 20.754 0.000 24.105) 31.809 3.409 ( 5.086 0.000 4.304) 6.663 3.729 ( 2.681 0.000 1.460) 3.052 3.780 ( -2.571 0.000 -8.625) 9.000 3.905 ( -4.081 0.000 -17.510) 17.980 4.012 ( 6.682 0.000 6.636) 9.417 4.218 ( -9.452 0.000 -15.902) 18.499 4.418 ( 1.604 0.000 -9.390) 9.526 4.616 ( 2.646 0.000 1.970) 3.299 4.749 ( -3.797 0.000 -22.563) 22.880 4.796 ( -6.686 0.000 -1.255) 6.803 5.046 ( 0.539 0.000 -2.451) 2.510 5.078 ( -1.059 0.000 -5.122) 5.230 5.142 ( 1.442 0.000 0.576) 1.553 5.303 ( -6.838 0.000 -2.154) 7.170 5.427 ( 4.755 0.000 -11.683) 12.613 5.488 ( 2.124 0.000 -0.685) 2.232 5.595 ( 7.190 0.000 -2.561) 7.632 5.725 ( -6.927 0.000 10.640) 12.696 5.765 ( -5.219 0.000 2.884) 5.962 5.879 ( -1.727 0.000 0.553) 1.813 5.932 ( 1.713 0.000 3.051) 3.499 5.981 ( -0.677 0.000 -0.471) 0.824 6.031 ( 0.968 0.000 2.096) 2.309 6.160 ( -2.169 0.000 6.812) 7.149 6.231 ( -2.505 0.000 -4.811) 5.424 6.331 ( -1.363 0.000 -8.470) 8.579 6.399 ( -0.689 0.000 -7.803) 7.833 6.511 ( 0.507 0.000 -0.300) 0.589 6.618 ( -0.280 0.000 -1.326) 1.356 6.794 ( -3.963 0.000 1.581) 4.267 6.914 ( 3.323 0.000 -2.174) 3.972 7.111 ( -4.816 0.000 7.300) 8.745 7.169 ( -3.740 0.000 5.963) 7.039 7.469 ( 1.580 0.000 16.882) 16.956 7.733 ( -7.563 0.000 10.845) 13.222 7.929 ( -7.113 0.000 -0.429) 7.126 8.008 ( -10.440 0.000 -1.859) 10.605 8.084 ( -9.155 0.000 -1.531) 9.282 8.292 ( 2.502 0.000 -11.794) 12.057 8.475 ( -6.547 0.000 -1.033) 6.628 8.554 ( -3.014 0.000 0.867) 3.136 8.611 ( -4.093 0.000 1.643) 4.410 8.681 ( 3.190 0.000 2.670) 4.160 8.703 ( 0.406 0.000 -4.921) 4.938 8.822 ( 5.031 0.000 -0.222) 5.035 8.931 ( -1.483 0.000 0.419) 1.542 9.007 ( -3.149 0.000 0.820) 3.254 9.078 ( 1.096 0.000 3.322) 3.498 9.317 ( 2.438 0.000 6.551) 6.990 9.386 ( -0.636 0.000 -2.870) 2.940 9.473 ( 1.551 0.000 -0.947) 1.818 9.516 ( 2.696 0.000 0.497) 2.741 9.638 ( -1.805 0.000 -0.375) 1.844 9.665 ( 0.737 0.000 -2.903) 2.995 9.804 ( 5.491 0.000 -2.881) 6.201 9.866 ( 4.211 0.000 -0.587) 4.251 9.894 ( 2.276 0.000 -3.281) 3.993 9.958 ( 4.966 0.000 2.520) 5.569 10.038 ( 0.124 0.000 -3.153) 3.155 10.121 ( 2.601 0.000 -1.772) 3.147 10.190 ( 1.223 0.000 -3.981) 4.165 10.546 ( -0.601 0.000 8.782) 8.803 10.758 ( -13.007 0.000 14.903) 19.780 11.099 ( -0.126 0.000 -17.464) 17.464 11.379 ( -3.315 0.000 -18.569) 18.862 12.049 ( 1.477 0.000 22.073) 22.123 12.403 ( 0.449 0.000 23.534) 23.538 12.823 ( -4.662 0.000 -13.092) 13.897 13.058 ( -4.455 0.000 -2.836) 5.281 13.356 ( -4.093 0.000 0.130) 4.095 13.490 ( 0.995 0.000 -5.793) 5.878 13.645 ( 0.664 0.000 2.374) 2.465 13.715 ( 0.621 0.000 2.395) 2.475 13.853 ( 2.665 0.000 4.789) 5.481 13.950 ( -4.129 0.000 -4.099) 5.818 14.022 ( 8.044 0.000 -6.730) 10.488 14.121 ( 3.423 0.000 -2.155) 4.045 14.353 ( -0.918 0.000 2.696) 2.848 14.384 ( -1.423 0.000 3.870) 4.123 14.503 ( -2.068 0.000 -2.398) 3.167 14.530 ( 0.853 0.000 -1.695) 1.897 14.599 ( -0.697 0.000 1.029) 1.243 14.662 ( 0.933 0.000 6.608) 6.674 14.717 ( 1.549 0.000 2.372) 2.833 14.788 ( -1.666 0.000 3.763) 4.115 14.906 ( -0.543 0.000 -7.468) 7.488 15.001 ( 1.406 0.000 -6.618) 6.766 15.029 ( -2.478 0.000 -4.782) 5.386 15.172 ( 2.010 0.000 -4.593) 5.013 15.289 ( -0.548 0.000 4.361) 4.395 15.445 ( -2.958 0.000 2.174) 3.671 15.459 ( 0.795 0.000 3.821) 3.903 15.466 ( -1.414 0.000 3.834) 4.087 15.608 ( -2.412 0.000 6.071) 6.533 15.703 ( 9.478 0.000 -3.666) 10.162 15.801 ( 2.687 0.000 -1.201) 2.943 16.128 ( -1.276 0.000 -5.103) 5.260 19.361 ( 2.282 0.000 2.085) 3.091 19.497 ( 1.655 0.000 -2.237) 2.783 19.697 ( -2.977 0.000 0.853) 3.096 19.707 ( -2.339 0.000 1.013) 2.549 20.052 ( 2.797 0.000 5.976) 6.599 20.162 ( 1.195 0.000 6.755) 6.860 20.606 ( -0.685 0.000 -15.494) 15.509 20.712 ( -1.742 0.000 -19.375) 19.453 21.462 ( 0.875 0.000 20.163) 20.182 21.666 ( -2.538 0.000 21.728) 21.876 22.124 ( 1.354 0.000 -9.281) 9.379 22.350 ( -2.637 0.000 -8.921) 9.302 26.425 ( -3.430 0.000 3.337) 4.786 26.687 ( 4.850 0.000 -7.405) 8.852 26.828 ( -9.233 0.000 4.815) 10.413 27.029 ( 3.695 0.000 6.296) 7.300 27.239 ( 2.801 0.000 -4.053) 4.926 27.601 ( 4.248 0.000 -5.893) 7.264 27.624 ( 6.550 0.000 4.593) 8.000 27.771 ( -3.636 0.000 1.425) 3.905 27.915 ( 7.881 0.000 -3.858) 8.774 27.992 ( 2.613 0.000 -1.810) 3.179 28.075 ( 3.862 0.000 5.377) 6.620 28.250 ( 2.905 0.000 4.620) 5.457 28.314 ( 4.028 0.000 0.827) 4.112 28.389 ( 2.187 0.000 3.670) 4.272 28.528 ( 2.922 0.000 -4.971) 5.766 28.951 ( -0.971 0.000 -10.134) 10.181 29.028 ( -10.089 0.000 1.826) 10.253 29.091 ( -6.362 0.000 -0.024) 6.362 29.095 ( -5.260 0.000 -0.099) 5.261 29.106 ( -7.361 0.000 -1.421) 7.497 29.296 ( -0.025 0.000 2.189) 2.189 29.662 ( 0.242 0.000 -13.349) 13.351 29.705 ( -10.491 0.000 2.606) 10.810 29.869 ( -4.478 0.000 -2.836) 5.301 30.069 ( 4.857 0.000 1.547) 5.097 30.091 ( 2.622 0.000 -0.750) 2.727 30.187 ( 0.458 0.000 5.875) 5.893 30.279 ( 2.449 0.000 -0.058) 2.450 30.480 ( 1.470 0.000 1.106) 1.840 30.538 ( -0.620 0.000 0.083) 0.625 30.559 ( 0.310 0.000 1.229) 1.267 30.735 ( 0.796 0.000 -2.302) 2.435 31.240 ( 10.287 0.000 2.401) 10.564 31.369 ( 10.954 0.000 -0.366) 10.961 31.991 ( -7.151 0.000 4.749) 8.584 32.139 ( -5.670 0.000 -1.958) 5.998 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 2.523 0.000 17.520) 17.700 1.130 ( 0.107 0.000 12.592) 12.593 1.209 ( 8.867 0.000 7.059) 11.334 1.282 ( 7.259 0.000 0.132) 7.260 1.328 ( 4.758 0.000 1.964) 5.148 1.363 ( 2.820 0.000 -2.159) 3.552 1.421 ( -0.009 0.000 -0.637) 0.637 1.434 ( -0.391 0.000 0.769) 0.862 1.507 ( -0.089 0.000 -0.589) 0.595 1.556 ( 1.869 0.000 -1.636) 2.484 1.582 ( 0.417 0.000 -0.404) 0.580 1.623 ( 0.448 0.000 -0.415) 0.611 1.676 ( 4.093 0.000 3.555) 5.421 1.845 ( 1.189 0.000 -1.643) 2.028 1.896 ( 3.895 0.000 -1.205) 4.077 1.915 ( 4.299 0.000 0.116) 4.301 1.988 ( 0.352 0.000 -0.833) 0.905 2.001 ( 4.979 0.000 -1.671) 5.252 2.033 ( 1.055 0.000 0.522) 1.177 2.102 ( 6.585 0.000 0.732) 6.626 2.135 ( -0.745 0.000 -1.720) 1.875 2.168 ( 3.841 0.000 3.735) 5.358 2.221 ( 0.519 0.000 2.368) 2.424 2.301 ( 1.454 0.000 1.837) 2.343 2.343 ( 0.767 0.000 -0.436) 0.883 2.402 ( -2.827 0.000 -2.638) 3.867 2.552 ( 4.080 0.000 -6.523) 7.694 2.635 ( 14.932 0.000 2.590) 15.155 2.713 ( 12.167 0.000 -3.899) 12.777 2.781 ( 16.743 0.000 -1.526) 16.813 2.984 ( 3.211 0.000 0.460) 3.243 3.233 ( 4.448 0.000 -1.844) 4.816 3.348 ( 10.751 0.000 -9.408) 14.287 3.510 ( -13.482 0.000 -20.343) 24.405 3.576 ( -4.200 0.000 -9.725) 10.593 3.710 ( 15.040 0.000 6.676) 16.456 3.757 ( 4.967 0.000 4.402) 6.637 3.934 ( 9.021 0.000 2.471) 9.353 4.014 ( 11.545 0.000 5.633) 12.846 4.053 ( 17.350 0.000 6.861) 18.657 4.195 ( 20.058 0.000 16.125) 25.737 4.361 ( -8.244 0.000 0.730) 8.276 4.600 ( -1.330 0.000 -10.421) 10.506 4.715 ( 4.599 0.000 -11.194) 12.102 4.830 ( -14.154 0.000 -4.603) 14.883 4.939 ( 5.412 0.000 1.410) 5.593 5.090 ( 1.318 0.000 -9.948) 10.035 5.110 ( -3.833 0.000 8.730) 9.534 5.225 ( -0.440 0.000 -0.358) 0.567 5.369 ( -14.912 0.000 10.241) 18.090 5.545 ( 6.705 0.000 8.830) 11.087 5.689 ( 3.129 0.000 -0.010) 3.129 5.701 ( 4.560 0.000 5.474) 7.124 5.807 ( 7.880 0.000 -4.134) 8.898 5.844 ( -0.493 0.000 0.241) 0.549 5.957 ( 0.084 0.000 -1.413) 1.415 5.988 ( 2.510 0.000 3.364) 4.197 6.072 ( 2.492 0.000 0.244) 2.504 6.094 ( -3.854 0.000 6.523) 7.576 6.160 ( -3.876 0.000 -0.300) 3.888 6.305 ( -2.692 0.000 -6.438) 6.978 6.374 ( -1.928 0.000 -4.068) 4.502 6.505 ( -1.696 0.000 -5.134) 5.407 6.597 ( 0.100 0.000 -6.094) 6.095 6.716 ( -2.391 0.000 4.290) 4.911 6.883 ( -9.119 0.000 6.967) 11.476 7.054 ( 3.041 0.000 -3.816) 4.879 7.126 ( -1.615 0.000 5.680) 5.905 7.431 ( -6.334 0.000 4.547) 7.797 7.516 ( -11.880 0.000 4.198) 12.600 7.685 ( -15.970 0.000 -2.800) 16.214 7.741 ( -15.644 0.000 -1.818) 15.749 7.879 ( -0.553 0.000 8.702) 8.720 8.167 ( -10.963 0.000 9.800) 14.705 8.427 ( 1.748 0.000 -3.982) 4.349 8.517 ( -2.608 0.000 -4.299) 5.029 8.618 ( 3.384 0.000 -7.969) 8.658 8.719 ( 1.798 0.000 -9.745) 9.910 8.757 ( 2.695 0.000 1.688) 3.180 8.842 ( -3.279 0.000 3.639) 4.898 8.932 ( 1.237 0.000 0.982) 1.579 8.986 ( 2.267 0.000 -3.580) 4.238 9.111 ( 1.653 0.000 -1.186) 2.034 9.326 ( -3.360 0.000 -4.705) 5.781 9.421 ( 4.004 0.000 3.782) 5.508 9.499 ( 0.754 0.000 -1.991) 2.129 9.533 ( -1.281 0.000 -3.471) 3.700 9.586 ( -3.022 0.000 -2.254) 3.770 9.694 ( 4.419 0.000 2.614) 5.134 9.871 ( 0.424 0.000 1.995) 2.040 9.959 ( 4.501 0.000 0.264) 4.509 10.000 ( 4.777 0.000 -2.694) 5.484 10.046 ( 3.633 0.000 -1.091) 3.793 10.076 ( 2.719 0.000 1.748) 3.232 10.160 ( 1.027 0.000 -2.240) 2.464 10.219 ( 1.380 0.000 -2.421) 2.787 10.529 ( -1.080 0.000 7.997) 8.069 10.562 ( -5.767 0.000 12.877) 14.110 11.111 ( 1.635 0.000 -19.451) 19.520 11.286 ( -5.255 0.000 -21.871) 22.493 12.119 ( 5.361 0.000 20.167) 20.867 12.371 ( -3.622 0.000 22.624) 22.912 12.757 ( -0.527 0.000 -9.648) 9.662 12.943 ( -6.499 0.000 -2.417) 6.933 13.310 ( -0.219 0.000 0.213) 0.306 13.437 ( -4.825 0.000 -3.848) 6.171 13.638 ( 0.005 0.000 3.462) 3.462 13.730 ( -1.983 0.000 3.811) 4.296 13.896 ( 3.552 0.000 6.360) 7.285 13.962 ( 3.858 0.000 4.715) 6.093 14.103 ( -0.337 0.000 0.918) 0.978 14.145 ( -1.084 0.000 3.983) 4.128 14.353 ( 1.480 0.000 -2.433) 2.848 14.394 ( 1.378 0.000 1.245) 1.857 14.450 ( -2.596 0.000 -2.783) 3.806 14.499 ( -3.002 0.000 1.118) 3.203 14.662 ( 3.114 0.000 0.693) 3.190 14.667 ( 1.523 0.000 1.353) 2.037 14.737 ( 0.026 0.000 0.471) 0.471 14.793 ( 3.326 0.000 -2.965) 4.456 14.889 ( -1.237 0.000 -10.299) 10.373 14.993 ( -1.777 0.000 -6.076) 6.330 15.028 ( 1.301 0.000 -6.917) 7.038 15.175 ( -4.113 0.000 -10.487) 11.265 15.262 ( 0.948 0.000 6.055) 6.129 15.360 ( -2.795 0.000 4.826) 5.577 15.452 ( 0.646 0.000 5.127) 5.167 15.526 ( 0.331 0.000 2.050) 2.076 15.610 ( 4.210 0.000 5.416) 6.860 15.828 ( -1.402 0.000 -1.420) 1.995 15.920 ( 9.150 0.000 -5.515) 10.684 16.088 ( -0.916 0.000 -2.089) 2.281 19.419 ( 3.178 0.000 1.735) 3.620 19.514 ( 0.240 0.000 -0.323) 0.402 19.621 ( -3.714 0.000 1.147) 3.887 19.642 ( -3.457 0.000 0.489) 3.491 20.116 ( 2.964 0.000 4.946) 5.766 20.179 ( 0.232 0.000 5.396) 5.401 20.608 ( 0.787 0.000 -15.010) 15.030 20.673 ( -1.941 0.000 -17.941) 18.046 21.490 ( 1.755 0.000 20.655) 20.729 21.601 ( -3.372 0.000 21.408) 21.672 22.163 ( 2.323 0.000 -9.291) 9.577 22.284 ( -3.379 0.000 -8.935) 9.553 26.401 ( 1.256 0.000 6.066) 6.195 26.629 ( -8.667 0.000 6.691) 10.949 26.819 ( 7.109 0.000 -10.926) 13.035 27.074 ( -1.854 0.000 -8.237) 8.443 27.332 ( 7.012 0.000 4.767) 8.479 27.613 ( -3.785 0.000 3.765) 5.339 27.702 ( 1.642 0.000 -0.196) 1.654 27.766 ( 2.085 0.000 3.916) 4.437 28.037 ( 4.140 0.000 0.251) 4.148 28.075 ( 3.291 0.000 1.022) 3.446 28.142 ( 4.482 0.000 2.536) 5.149 28.347 ( 5.609 0.000 5.623) 7.942 28.439 ( 4.495 0.000 0.280) 4.503 28.445 ( 4.032 0.000 -1.020) 4.159 28.582 ( 5.281 0.000 0.030) 5.281 28.785 ( -11.522 0.000 1.576) 11.630 28.917 ( -8.382 0.000 -2.355) 8.706 28.940 ( -6.894 0.000 -1.460) 7.047 28.965 ( -2.817 0.000 -7.753) 8.249 28.991 ( -3.113 0.000 -6.412) 7.128 29.310 ( 1.593 0.000 2.787) 3.210 29.505 ( -8.142 0.000 2.710) 8.581 29.684 ( 1.314 0.000 -13.082) 13.148 29.784 ( -3.608 0.000 -8.866) 9.572 30.153 ( 3.138 0.000 2.519) 4.024 30.175 ( 4.578 0.000 0.749) 4.639 30.205 ( 1.200 0.000 3.446) 3.649 30.313 ( 0.086 0.000 -0.894) 0.898 30.483 ( -0.661 0.000 2.984) 3.056 30.506 ( -0.246 0.000 2.711) 2.722 30.622 ( 3.378 0.000 -2.310) 4.092 30.738 ( -1.031 0.000 -3.786) 3.924 31.452 ( 9.035 0.000 4.576) 10.128 31.581 ( 10.083 0.000 2.102) 10.299 31.821 ( -8.533 0.000 5.469) 10.135 31.988 ( -8.348 0.000 -1.353) 8.457 ======================= Grid point 38 (16/36) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -2.724 0.000 14.108) 14.368 1.073 ( 2.724 0.000 14.108) 14.368 1.302 ( -1.097 0.000 2.461) 2.695 1.302 ( 1.097 0.000 2.461) 2.695 1.402 ( -1.948 0.000 -0.806) 2.108 1.402 ( 1.948 0.000 -0.806) 2.108 1.431 ( -0.875 0.000 0.039) 0.876 1.431 ( 0.875 0.000 0.039) 0.876 1.563 ( -3.822 0.000 0.476) 3.851 1.563 ( 3.822 0.000 0.476) 3.851 1.587 ( -1.652 0.000 -1.139) 2.007 1.587 ( 1.652 0.000 -1.139) 2.007 1.800 ( -5.490 0.000 1.102) 5.600 1.800 ( 5.490 0.000 1.102) 5.600 1.935 ( -0.815 0.000 -1.355) 1.581 1.935 ( 0.815 0.000 -1.355) 1.581 2.016 ( -2.410 0.000 -3.658) 4.380 2.016 ( 2.410 0.000 -3.658) 4.380 2.077 ( -2.219 0.000 -0.420) 2.259 2.077 ( 2.219 0.000 -0.420) 2.259 2.186 ( -1.930 0.000 1.721) 2.586 2.186 ( 1.930 0.000 1.721) 2.586 2.272 ( -2.833 0.000 -0.076) 2.834 2.272 ( 2.833 0.000 -0.076) 2.834 2.361 ( -1.094 0.000 -1.027) 1.500 2.361 ( 1.094 0.000 -1.027) 1.500 2.748 ( -8.865 0.000 -9.053) 12.671 2.748 ( 8.865 0.000 -9.053) 12.671 3.001 ( -6.289 0.000 5.255) 8.196 3.001 ( 6.289 0.000 5.255) 8.196 3.105 ( -2.768 0.000 -16.160) 16.395 3.105 ( 2.768 0.000 -16.160) 16.395 3.292 ( -12.264 0.000 -7.098) 14.170 3.292 ( 12.264 0.000 -7.098) 14.170 3.644 ( -11.474 0.000 -5.099) 12.556 3.644 ( 11.474 0.000 -5.099) 12.556 3.967 ( -6.333 0.000 2.794) 6.923 3.967 ( 6.333 0.000 2.794) 6.923 4.171 ( -19.236 0.000 2.796) 19.438 4.171 ( 19.236 0.000 2.796) 19.438 4.516 ( -8.148 0.000 0.526) 8.165 4.516 ( 8.148 0.000 0.526) 8.165 4.720 ( -15.300 0.000 12.527) 19.774 4.720 ( 15.300 0.000 12.527) 19.774 4.774 ( -18.380 0.000 12.067) 21.987 4.774 ( 18.380 0.000 12.067) 21.987 5.051 ( -7.116 0.000 0.025) 7.116 5.051 ( 7.116 0.000 0.025) 7.116 5.202 ( -1.463 0.000 -9.700) 9.810 5.202 ( 1.463 0.000 -9.700) 9.810 5.742 ( -5.550 0.000 6.108) 8.253 5.742 ( 5.550 0.000 6.108) 8.253 5.794 ( -3.196 0.000 0.305) 3.210 5.794 ( 3.196 0.000 0.305) 3.210 5.933 ( -3.828 0.000 0.899) 3.932 5.933 ( 3.828 0.000 0.899) 3.932 6.002 ( -0.588 0.000 2.371) 2.443 6.002 ( 0.588 0.000 2.371) 2.443 6.115 ( -0.831 0.000 4.210) 4.291 6.115 ( 0.831 0.000 4.210) 4.291 6.286 ( -3.594 0.000 -0.298) 3.607 6.286 ( 3.594 0.000 -0.298) 3.607 6.566 ( -5.063 0.000 -11.194) 12.286 6.566 ( 5.063 0.000 -11.194) 12.286 6.717 ( -3.680 0.000 6.248) 7.251 6.717 ( 3.680 0.000 6.248) 7.251 7.103 ( -1.684 0.000 -0.440) 1.740 7.103 ( 1.684 0.000 -0.440) 1.740 7.359 ( -2.118 0.000 2.511) 3.285 7.359 ( 2.118 0.000 2.511) 3.285 7.485 ( -3.437 0.000 -3.174) 4.678 7.485 ( 3.437 0.000 -3.174) 4.678 7.987 ( -7.241 0.000 11.646) 13.714 7.987 ( 7.241 0.000 11.646) 13.714 8.457 ( -2.108 0.000 -3.265) 3.886 8.457 ( 2.108 0.000 -3.265) 3.886 8.702 ( -3.685 0.000 -9.906) 10.569 8.702 ( 3.685 0.000 -9.906) 10.569 8.798 ( -1.228 0.000 3.610) 3.813 8.798 ( 1.228 0.000 3.610) 3.813 8.977 ( -2.743 0.000 -4.967) 5.674 8.977 ( 2.743 0.000 -4.967) 5.674 9.206 ( -6.875 0.000 -5.847) 9.025 9.206 ( 6.875 0.000 -5.847) 9.025 9.483 ( -2.285 0.000 -0.387) 2.318 9.483 ( 2.285 0.000 -0.387) 2.318 9.534 ( -1.862 0.000 -2.921) 3.463 9.534 ( 1.862 0.000 -2.921) 3.463 9.822 ( -5.568 0.000 5.748) 8.003 9.822 ( 5.568 0.000 5.748) 8.003 10.020 ( -2.104 0.000 2.126) 2.991 10.020 ( 2.104 0.000 2.126) 2.991 10.098 ( -0.714 0.000 -0.323) 0.784 10.098 ( 0.714 0.000 -0.323) 0.784 10.210 ( -2.804 0.000 -3.375) 4.387 10.210 ( 2.804 0.000 -3.375) 4.387 10.511 ( -0.379 0.000 9.141) 9.149 10.511 ( 0.379 0.000 9.141) 9.149 11.177 ( -4.650 0.000 -22.132) 22.616 11.177 ( 4.650 0.000 -22.132) 22.616 12.256 ( -6.931 0.000 20.459) 21.601 12.256 ( 6.931 0.000 20.459) 21.601 12.812 ( -5.268 0.000 -5.015) 7.274 12.812 ( 5.268 0.000 -5.015) 7.274 13.344 ( -3.384 0.000 -0.872) 3.494 13.344 ( 3.384 0.000 -0.872) 3.494 13.666 ( -2.732 0.000 6.196) 6.772 13.666 ( 2.732 0.000 6.196) 6.772 13.988 ( -3.171 0.000 5.602) 6.437 13.988 ( 3.171 0.000 5.602) 6.437 14.099 ( -2.134 0.000 4.738) 5.197 14.099 ( 2.134 0.000 4.738) 5.197 14.395 ( -2.296 0.000 -3.630) 4.295 14.395 ( 2.296 0.000 -3.630) 4.295 14.438 ( -2.533 0.000 0.656) 2.617 14.438 ( 2.533 0.000 0.656) 2.617 14.677 ( -1.384 0.000 5.567) 5.736 14.677 ( 1.384 0.000 5.567) 5.736 14.808 ( -3.714 0.000 -10.116) 10.776 14.808 ( 3.714 0.000 -10.116) 10.776 14.916 ( -4.688 0.000 -7.769) 9.074 14.916 ( 4.688 0.000 -7.769) 9.074 15.080 ( -3.615 0.000 -7.083) 7.952 15.080 ( 3.615 0.000 -7.083) 7.952 15.303 ( -2.477 0.000 4.117) 4.805 15.303 ( 2.477 0.000 4.117) 4.805 15.491 ( -2.445 0.000 3.015) 3.881 15.491 ( 2.445 0.000 3.015) 3.881 15.738 ( -6.228 0.000 4.198) 7.510 15.738 ( 6.228 0.000 4.198) 7.510 16.057 ( -3.532 0.000 -4.935) 6.069 16.057 ( 3.532 0.000 -4.935) 6.069 19.489 ( -3.069 0.000 1.187) 3.291 19.489 ( 3.069 0.000 1.187) 3.291 19.586 ( -1.190 0.000 0.284) 1.224 19.586 ( 1.190 0.000 0.284) 1.224 20.165 ( -1.607 0.000 4.744) 5.009 20.165 ( 1.607 0.000 4.744) 5.009 20.635 ( -1.663 0.000 -16.039) 16.125 20.635 ( 1.663 0.000 -16.039) 16.125 21.536 ( -2.701 0.000 21.051) 21.223 21.536 ( 2.701 0.000 21.051) 21.223 22.218 ( -2.886 0.000 -9.148) 9.592 22.218 ( 2.886 0.000 -9.148) 9.592 26.476 ( -5.723 0.000 7.413) 9.365 26.476 ( 5.723 0.000 7.413) 9.365 26.971 ( -6.876 0.000 -12.898) 14.617 26.971 ( 6.876 0.000 -12.898) 14.617 27.491 ( -7.228 0.000 6.353) 9.623 27.491 ( 7.228 0.000 6.353) 9.623 27.753 ( -2.428 0.000 1.783) 3.012 27.753 ( 2.428 0.000 1.783) 3.012 28.088 ( -0.951 0.000 4.264) 4.369 28.088 ( 0.951 0.000 4.264) 4.369 28.297 ( -8.326 0.000 -0.631) 8.349 28.297 ( 8.326 0.000 -0.631) 8.349 28.534 ( -8.907 0.000 2.968) 9.388 28.534 ( 8.907 0.000 2.968) 9.388 28.695 ( -9.920 0.000 -0.216) 9.922 28.695 ( 9.920 0.000 -0.216) 9.922 28.757 ( -8.418 0.000 0.016) 8.418 28.757 ( 8.418 0.000 0.016) 8.418 28.960 ( -0.973 0.000 -9.418) 9.468 28.960 ( 0.973 0.000 -9.418) 9.468 29.372 ( -4.551 0.000 3.163) 5.542 29.372 ( 4.551 0.000 3.163) 5.542 29.721 ( -2.367 0.000 -11.945) 12.177 29.721 ( 2.367 0.000 -11.945) 12.177 30.199 ( -1.093 0.000 3.370) 3.543 30.199 ( 1.093 0.000 3.370) 3.543 30.274 ( -3.538 0.000 -0.391) 3.560 30.274 ( 3.538 0.000 -0.391) 3.560 30.492 ( -1.037 0.000 2.801) 2.986 30.492 ( 1.037 0.000 2.801) 2.986 30.691 ( -3.115 0.000 -3.469) 4.662 30.691 ( 3.115 0.000 -3.469) 4.662 31.626 ( -7.895 0.000 5.980) 9.904 31.626 ( 7.895 0.000 5.980) 9.904 31.804 ( -8.952 0.000 0.085) 8.953 31.804 ( 8.952 0.000 0.085) 8.953 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 14.397 11.224) 18.255 0.878 ( 0.000 11.773 14.718) 18.848 0.961 ( 0.000 9.947 0.592) 9.965 1.048 ( 0.000 4.938 11.742) 12.738 1.173 ( 0.000 6.125 0.965) 6.201 1.274 ( 0.000 12.141 10.154) 15.828 1.320 ( 0.000 7.826 5.159) 9.374 1.367 ( 0.000 11.033 12.803) 16.901 1.471 ( 0.000 1.205 3.753) 3.942 1.485 ( 0.000 0.233 -0.769) 0.804 1.553 ( 0.000 1.939 0.643) 2.043 1.576 ( 0.000 0.997 1.002) 1.414 1.593 ( 0.000 1.811 1.280) 2.218 1.629 ( 0.000 1.006 2.191) 2.411 1.699 ( 0.000 4.515 2.672) 5.246 1.713 ( 0.000 4.166 2.281) 4.750 1.805 ( 0.000 6.007 -2.029) 6.341 1.871 ( 0.000 0.797 4.308) 4.382 1.925 ( 0.000 -0.651 3.914) 3.968 2.014 ( 0.000 0.735 -1.390) 1.572 2.048 ( 0.000 -1.443 -0.980) 1.744 2.106 ( 0.000 1.084 -2.504) 2.728 2.209 ( 0.000 -0.992 0.621) 1.171 2.266 ( 0.000 -1.879 1.978) 2.728 2.303 ( 0.000 0.713 -0.617) 0.943 2.370 ( 0.000 1.665 -0.459) 1.727 2.411 ( 0.000 6.565 1.012) 6.642 2.524 ( 0.000 8.032 -1.134) 8.111 2.623 ( 0.000 0.791 7.336) 7.379 2.669 ( 0.000 -6.116 -5.451) 8.193 2.787 ( 0.000 -0.208 8.079) 8.081 2.919 ( 0.000 7.135 10.088) 12.356 3.006 ( 0.000 9.535 6.465) 11.520 3.108 ( 0.000 7.082 12.971) 14.779 3.168 ( 0.000 3.137 -11.881) 12.289 3.428 ( 0.000 -1.432 8.425) 8.546 3.584 ( 0.000 -4.093 4.361) 5.981 3.674 ( 0.000 -6.817 -0.858) 6.871 3.917 ( 0.000 1.046 9.860) 9.915 4.062 ( 0.000 4.279 -16.252) 16.806 4.264 ( 0.000 0.417 -3.235) 3.262 4.465 ( 0.000 -5.313 -11.480) 12.650 4.529 ( 0.000 -5.236 0.125) 5.237 4.695 ( 0.000 -14.879 -14.382) 20.694 4.783 ( 0.000 -6.574 -2.293) 6.963 4.929 ( 0.000 -2.459 -17.895) 18.063 4.957 ( 0.000 -9.231 -2.514) 9.567 5.095 ( 0.000 -14.922 -3.753) 15.387 5.168 ( 0.000 -4.384 -0.947) 4.486 5.266 ( 0.000 -6.303 -5.504) 8.368 5.454 ( 0.000 -4.850 -5.360) 7.229 5.560 ( 0.000 -2.673 -5.666) 6.265 5.807 ( 0.000 -4.580 2.394) 5.168 5.833 ( 0.000 0.642 2.676) 2.752 5.846 ( 0.000 0.348 1.571) 1.609 5.940 ( 0.000 3.573 2.653) 4.451 5.949 ( 0.000 1.086 1.179) 1.603 6.079 ( 0.000 -0.882 -4.730) 4.812 6.191 ( 0.000 0.379 3.862) 3.880 6.279 ( 0.000 -0.370 1.484) 1.529 6.340 ( 0.000 1.506 -6.296) 6.474 6.447 ( 0.000 3.350 -7.295) 8.027 6.615 ( 0.000 3.163 1.197) 3.382 6.620 ( 0.000 0.977 2.417) 2.607 6.826 ( 0.000 0.937 -4.335) 4.435 6.906 ( 0.000 1.569 -1.108) 1.921 7.059 ( 0.000 -2.493 -3.117) 3.992 7.240 ( 0.000 -2.457 -2.018) 3.179 7.530 ( 0.000 4.446 20.970) 21.436 7.787 ( 0.000 -2.597 14.182) 14.418 7.996 ( 0.000 1.942 2.292) 3.004 8.131 ( 0.000 0.538 -4.858) 4.888 8.206 ( 0.000 1.610 -8.491) 8.642 8.295 ( 0.000 10.043 0.425) 10.052 8.560 ( 0.000 -0.745 3.001) 3.092 8.639 ( 0.000 2.970 -0.861) 3.093 8.705 ( 0.000 8.172 -0.114) 8.173 8.717 ( 0.000 2.183 -0.108) 2.185 8.798 ( 0.000 4.378 -0.987) 4.488 8.828 ( 0.000 5.821 -0.237) 5.826 8.950 ( 0.000 1.995 0.598) 2.083 9.020 ( 0.000 -0.870 -0.094) 0.875 9.158 ( 0.000 4.915 0.207) 4.919 9.255 ( 0.000 -4.686 7.672) 8.989 9.381 ( 0.000 -0.708 -4.188) 4.248 9.423 ( 0.000 -1.731 2.525) 3.061 9.481 ( 0.000 -1.175 -1.462) 1.875 9.605 ( 0.000 -0.161 1.061) 1.073 9.699 ( 0.000 1.730 -0.156) 1.737 9.770 ( 0.000 0.627 0.422) 0.755 9.796 ( 0.000 1.848 -0.329) 1.877 9.855 ( 0.000 -2.507 -2.728) 3.705 9.956 ( 0.000 2.763 -2.109) 3.476 10.030 ( 0.000 -1.165 -3.165) 3.373 10.110 ( 0.000 3.254 -1.347) 3.522 10.184 ( 0.000 1.014 -4.885) 4.989 10.566 ( 0.000 1.324 9.624) 9.715 10.823 ( 0.000 -10.999 14.394) 18.116 11.119 ( 0.000 1.625 -16.527) 16.606 11.381 ( 0.000 -3.801 -17.083) 17.500 12.053 ( 0.000 1.628 23.426) 23.482 12.325 ( 0.000 -4.898 25.212) 25.683 12.887 ( 0.000 0.455 -12.324) 12.332 13.075 ( 0.000 -3.957 -5.227) 6.556 13.425 ( 0.000 0.741 1.198) 1.409 13.482 ( 0.000 2.375 -2.934) 3.775 13.618 ( 0.000 -1.124 1.257) 1.686 13.667 ( 0.000 -1.255 2.542) 2.835 13.850 ( 0.000 -0.050 -6.335) 6.335 13.947 ( 0.000 4.457 -2.777) 5.252 13.996 ( 0.000 -3.060 -5.122) 5.966 14.055 ( 0.000 0.932 -5.532) 5.610 14.364 ( 0.000 0.186 3.732) 3.736 14.395 ( 0.000 -3.239 5.506) 6.388 14.493 ( 0.000 0.162 1.047) 1.059 14.568 ( 0.000 1.439 -0.126) 1.444 14.648 ( 0.000 0.024 4.781) 4.781 14.684 ( 0.000 3.994 -0.416) 4.015 14.706 ( 0.000 0.284 1.056) 1.094 14.760 ( 0.000 -0.237 -3.060) 3.070 14.929 ( 0.000 -1.377 -2.027) 2.450 14.955 ( 0.000 0.369 -5.615) 5.627 15.071 ( 0.000 -2.627 -3.965) 4.756 15.093 ( 0.000 -5.318 -6.295) 8.240 15.268 ( 0.000 -0.951 5.493) 5.575 15.362 ( 0.000 -5.479 6.338) 8.378 15.420 ( 0.000 -0.799 3.296) 3.392 15.563 ( 0.000 1.965 1.866) 2.710 15.613 ( 0.000 1.803 0.100) 1.806 15.685 ( 0.000 -0.229 -3.762) 3.769 15.739 ( 0.000 -12.540 9.517) 15.743 15.844 ( 0.000 -4.291 3.427) 5.491 19.363 ( 0.000 3.256 1.716) 3.680 19.489 ( 0.000 2.669 -3.115) 4.102 19.674 ( 0.000 -3.937 2.174) 4.497 19.730 ( 0.000 -1.693 -0.582) 1.791 20.040 ( 0.000 1.358 7.797) 7.915 20.129 ( 0.000 -1.773 8.680) 8.859 20.624 ( 0.000 1.133 -16.343) 16.382 20.717 ( 0.000 -1.210 -19.853) 19.890 21.474 ( 0.000 2.609 20.949) 21.111 21.672 ( 0.000 -2.145 21.756) 21.862 22.253 ( 0.000 7.582 -15.614) 17.357 22.381 ( 0.000 0.087 -9.282) 9.283 26.540 ( 0.000 2.633 1.079) 2.846 26.609 ( 0.000 1.667 -2.449) 2.962 26.907 ( 0.000 -4.547 1.692) 4.851 26.967 ( 0.000 -4.128 5.355) 6.761 27.149 ( 0.000 -2.657 1.847) 3.236 27.445 ( 0.000 -8.645 6.226) 10.654 27.551 ( 0.000 4.560 -13.820) 14.553 27.741 ( 0.000 -3.418 -5.552) 6.519 27.942 ( 0.000 8.526 2.219) 8.810 28.002 ( 0.000 3.017 -0.135) 3.020 28.056 ( 0.000 2.706 6.145) 6.714 28.292 ( 0.000 6.495 1.763) 6.730 28.386 ( 0.000 5.725 3.432) 6.675 28.410 ( 0.000 5.537 4.057) 6.864 28.450 ( 0.000 2.748 2.723) 3.868 28.931 ( 0.000 -2.079 -6.191) 6.531 28.982 ( 0.000 -10.376 -1.693) 10.513 29.020 ( 0.000 -7.196 -2.767) 7.710 29.133 ( 0.000 -5.778 -1.223) 5.906 29.158 ( 0.000 -7.406 -0.764) 7.445 29.325 ( 0.000 2.361 2.671) 3.565 29.690 ( 0.000 3.213 -12.306) 12.718 29.787 ( 0.000 -9.965 5.302) 11.288 29.961 ( 0.000 -1.789 -1.890) 2.602 30.048 ( 0.000 4.544 1.840) 4.902 30.109 ( 0.000 4.469 -2.415) 5.080 30.184 ( 0.000 -0.363 5.847) 5.859 30.233 ( 0.000 -1.052 -0.089) 1.055 30.474 ( 0.000 0.774 1.174) 1.406 30.525 ( 0.000 2.109 -0.174) 2.117 30.597 ( 0.000 -0.920 0.534) 1.064 30.695 ( 0.000 -2.662 -2.675) 3.774 31.264 ( 0.000 11.533 1.431) 11.621 31.335 ( 0.000 14.477 -3.568) 14.910 31.994 ( 0.000 -7.832 4.447) 9.007 32.137 ( 0.000 -6.614 -2.089) 6.936 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 9.204 10.180 6.645) 15.248 1.007 ( 8.852 8.187 10.694) 16.117 1.082 ( 4.991 4.035 8.288) 10.483 1.182 ( 7.242 4.020 2.937) 8.789 1.290 ( 5.786 5.293 2.264) 8.162 1.358 ( 3.541 1.039 3.394) 5.014 1.399 ( 4.791 4.230 3.961) 7.519 1.429 ( 2.635 2.459 -0.893) 3.713 1.489 ( 0.872 0.872 -1.092) 1.647 1.541 ( 0.606 0.548 1.407) 1.627 1.560 ( 3.873 0.901 0.953) 4.089 1.600 ( 2.615 1.477 1.275) 3.262 1.638 ( 2.378 4.194 3.895) 6.198 1.694 ( 7.870 1.201 0.376) 7.970 1.790 ( 4.917 0.607 0.851) 5.027 1.798 ( 9.365 5.894 2.383) 11.319 1.850 ( 4.756 0.990 1.293) 5.028 1.932 ( 4.369 -0.185 0.600) 4.414 1.982 ( 4.694 2.312 -0.094) 5.233 2.025 ( 0.247 0.278 -0.488) 0.613 2.090 ( 2.885 0.341 -0.352) 2.926 2.112 ( 2.276 0.020 1.920) 2.977 2.223 ( 0.743 -2.251 0.415) 2.407 2.253 ( -0.099 -0.063 1.575) 1.579 2.318 ( 1.752 0.234 -1.147) 2.107 2.398 ( 3.617 1.680 0.785) 4.065 2.443 ( 0.225 1.748 -2.211) 2.827 2.591 ( 1.722 7.091 2.048) 7.579 2.608 ( 1.925 2.158 5.628) 6.327 2.727 ( 6.581 9.404 0.937) 11.516 2.943 ( 10.343 -0.578 0.912) 10.399 2.959 ( 10.578 4.702 -5.405) 12.776 3.142 ( 13.003 1.944 2.345) 13.355 3.267 ( 14.734 8.302 0.538) 16.921 3.356 ( 17.576 -2.154 20.847) 27.352 3.462 ( 5.340 4.025 4.210) 7.902 3.625 ( -0.232 -12.177 -5.232) 13.255 3.687 ( 4.964 0.063 -2.681) 5.642 3.887 ( -1.489 1.537 2.961) 3.653 4.124 ( -1.579 4.746 -5.635) 7.534 4.234 ( -6.914 -3.123 -8.058) 11.067 4.364 ( -2.137 -3.242 -5.120) 6.426 4.528 ( 5.030 -5.376 -2.796) 7.876 4.652 ( -1.466 -10.994 -2.926) 11.471 4.732 ( -2.580 -4.080 -11.573) 12.540 4.971 ( 1.283 -8.492 -1.550) 8.727 5.006 ( 2.657 -5.724 0.538) 6.333 5.074 ( -0.755 -4.244 1.892) 4.708 5.218 ( 10.053 -6.086 -2.881) 12.100 5.425 ( 4.720 -2.026 -9.594) 10.883 5.509 ( 1.647 -1.640 -4.021) 4.644 5.575 ( 5.778 -0.778 -4.620) 7.439 5.711 ( -8.249 -2.544 8.608) 12.191 5.774 ( -5.137 0.537 0.724) 5.215 5.848 ( -0.390 -0.783 0.152) 0.888 5.916 ( -1.132 -1.874 1.578) 2.699 5.969 ( 1.249 1.935 1.786) 2.915 6.060 ( -0.904 0.184 -1.728) 1.959 6.182 ( -0.416 2.236 3.985) 4.588 6.263 ( -1.653 0.450 -1.860) 2.529 6.333 ( -0.566 1.729 -5.996) 6.266 6.438 ( -1.419 2.489 -6.039) 6.684 6.557 ( -3.070 3.480 0.808) 4.710 6.633 ( -1.082 0.762 1.027) 1.675 6.776 ( -4.850 -1.048 0.318) 4.972 6.888 ( -0.517 -3.522 -1.030) 3.706 7.038 ( -0.216 -0.490 -3.293) 3.337 7.207 ( -3.318 -0.428 -0.376) 3.367 7.530 ( -0.172 4.877 16.226) 16.944 7.714 ( -6.544 -0.867 9.689) 11.724 7.943 ( -7.851 1.147 -0.784) 7.973 8.045 ( -8.799 0.589 -2.408) 9.141 8.135 ( -10.800 5.621 0.483) 12.185 8.313 ( 2.585 2.640 -8.117) 8.919 8.454 ( -9.824 -0.293 1.931) 10.016 8.552 ( -4.854 0.104 1.928) 5.224 8.629 ( -3.838 1.014 -0.774) 4.044 8.737 ( -1.107 4.487 -0.702) 4.675 8.765 ( 0.156 4.916 1.004) 5.020 8.830 ( 1.766 -0.535 0.278) 1.866 8.947 ( -3.095 -1.611 0.603) 3.541 8.981 ( -0.665 3.588 0.625) 3.702 9.155 ( 0.233 5.407 0.853) 5.479 9.284 ( 2.664 -3.260 4.018) 5.820 9.396 ( 0.631 -0.076 -1.178) 1.339 9.457 ( 1.310 -0.688 -0.742) 1.655 9.483 ( 1.937 -2.576 -1.969) 3.777 9.632 ( -0.863 -1.140 -2.545) 2.919 9.667 ( -0.085 0.102 0.574) 0.589 9.815 ( 4.498 0.831 -1.750) 4.898 9.845 ( 2.317 -1.392 -0.402) 2.733 9.899 ( 4.080 -0.068 -2.263) 4.666 9.965 ( 1.321 1.091 0.046) 1.713 10.056 ( 2.215 -0.358 -2.229) 3.163 10.125 ( 1.230 1.899 -1.002) 2.474 10.198 ( 0.980 0.825 -3.368) 3.603 10.556 ( -0.910 0.898 8.997) 9.087 10.691 ( -8.653 -5.134 15.136) 18.175 11.112 ( -0.448 1.386 -17.217) 17.279 11.342 ( -3.388 -3.780 -18.663) 19.342 12.070 ( 2.026 2.268 22.204) 22.411 12.352 ( 1.402 -4.698 24.287) 24.777 12.833 ( -4.015 1.165 -11.972) 12.681 13.030 ( -3.691 -2.974 -3.701) 6.014 13.379 ( -3.297 2.498 1.801) 4.512 13.498 ( 0.874 0.672 -4.717) 4.844 13.633 ( -0.349 -1.493 -0.125) 1.538 13.682 ( 1.568 -2.142 3.000) 4.006 13.903 ( 0.693 1.914 1.515) 2.538 13.933 ( -0.376 -0.600 -2.203) 2.314 14.025 ( 5.499 1.240 -4.386) 7.142 14.123 ( 3.568 -0.037 -3.133) 4.748 14.352 ( -1.464 -0.832 4.322) 4.638 14.384 ( 1.001 0.454 4.005) 4.153 14.482 ( -1.373 -1.012 1.142) 2.052 14.552 ( -0.975 1.277 -0.961) 1.872 14.644 ( -0.896 2.689 0.905) 2.975 14.673 ( 0.380 0.609 1.003) 1.233 14.705 ( 0.933 0.670 0.536) 1.267 14.777 ( -1.018 -0.480 2.060) 2.347 14.908 ( -0.380 0.001 -6.802) 6.812 14.984 ( 1.033 -1.239 -5.973) 6.187 15.015 ( -1.401 -1.872 -5.879) 6.327 15.122 ( 0.656 -5.993 -7.481) 9.607 15.279 ( 0.021 -0.473 5.670) 5.690 15.381 ( 0.205 -3.360 5.166) 6.165 15.421 ( -0.476 -1.840 4.579) 4.958 15.496 ( -3.356 -0.850 7.904) 8.629 15.626 ( 1.127 2.377 1.007) 2.817 15.725 ( 7.717 1.686 -4.643) 9.162 15.781 ( 5.232 -0.830 -0.086) 5.298 16.020 ( 6.519 -7.500 -2.999) 10.380 19.372 ( 1.168 1.720 2.402) 3.177 19.502 ( 0.562 1.004 -2.387) 2.650 19.644 ( -2.673 -4.039 2.043) 5.257 19.697 ( -2.947 -1.881 -0.187) 3.501 20.072 ( 2.700 1.412 6.613) 7.281 20.149 ( 1.608 -1.255 7.538) 7.809 20.620 ( -0.192 1.538 -15.686) 15.762 20.703 ( -1.224 -0.754 -19.291) 19.345 21.483 ( 0.715 2.213 20.851) 20.981 21.648 ( -2.183 -1.776 21.656) 21.838 22.206 ( -2.411 5.824 -11.410) 13.035 22.348 ( -2.862 -0.293 -9.191) 9.631 26.457 ( -3.658 3.033 3.637) 5.984 26.685 ( 2.523 -0.826 -3.892) 4.711 26.813 ( -5.150 -0.613 1.729) 5.466 27.016 ( 4.105 -1.751 2.206) 4.979 27.209 ( 4.749 -1.655 0.648) 5.071 27.518 ( 6.189 -8.472 6.458) 12.320 27.615 ( 3.517 1.167 -8.280) 9.071 27.788 ( 0.864 -2.196 -5.813) 6.274 27.897 ( -0.182 3.342 1.526) 3.678 28.027 ( 1.209 2.291 -1.982) 3.261 28.079 ( 1.487 0.203 5.599) 5.797 28.290 ( -0.910 3.713 7.367) 8.299 28.374 ( -1.325 -5.126 0.526) 5.320 28.488 ( 7.204 13.583 1.596) 15.458 28.528 ( 6.868 7.752 2.222) 10.592 28.813 ( -9.887 -12.159 1.240) 15.720 28.930 ( -2.218 -2.995 -6.087) 7.137 28.982 ( -0.789 -0.971 -11.014) 11.085 29.177 ( 0.963 -0.755 0.122) 1.230 29.210 ( 1.134 -0.642 -0.511) 1.400 29.319 ( -0.509 2.343 2.684) 3.599 29.655 ( -8.937 -5.024 3.011) 10.686 29.694 ( -0.715 2.450 -11.465) 11.745 29.886 ( -5.654 0.623 -5.466) 7.889 30.070 ( 2.420 0.658 1.981) 3.196 30.128 ( 1.573 3.472 -0.728) 3.881 30.176 ( -0.053 -0.951 5.186) 5.273 30.274 ( 2.582 -0.606 -0.395) 2.681 30.492 ( 0.844 0.900 1.442) 1.898 30.533 ( -1.005 -0.071 1.497) 1.804 30.574 ( 0.876 1.265 -0.370) 1.583 30.720 ( 1.519 -1.700 -3.769) 4.405 31.317 ( 4.154 7.081 3.068) 8.764 31.414 ( 7.181 6.157 0.891) 9.501 31.916 ( -6.603 -7.111 5.246) 11.031 32.074 ( -5.552 -6.623 -1.818) 8.832 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 3.613 -0.178 7.812) 8.609 1.115 ( 1.290 5.271 1.514) 5.633 1.215 ( 8.796 0.315 1.062) 8.865 1.293 ( 2.681 0.913 1.157) 3.059 1.360 ( 0.813 0.603 -1.003) 1.425 1.386 ( 0.290 1.427 0.362) 1.500 1.415 ( -0.422 -0.414 -0.831) 1.019 1.445 ( -0.606 -0.106 1.221) 1.367 1.503 ( 1.630 0.324 -1.422) 2.187 1.574 ( 1.634 2.004 1.275) 2.883 1.591 ( 0.752 0.717 -0.381) 1.107 1.637 ( -0.306 0.335 -0.090) 0.463 1.696 ( 4.184 3.240 3.820) 6.527 1.812 ( 1.389 -3.055 -1.510) 3.680 1.881 ( 2.577 -0.765 -2.947) 3.989 1.914 ( 3.830 -0.955 -0.497) 3.978 1.923 ( 1.637 -3.002 -1.167) 3.613 2.024 ( 0.398 0.049 0.004) 0.401 2.040 ( 1.839 -0.152 -2.068) 2.772 2.062 ( 2.201 -1.062 -1.653) 2.951 2.116 ( 2.075 -0.593 -0.569) 2.232 2.177 ( 0.545 -0.680 3.645) 3.748 2.239 ( 1.596 1.028 1.839) 2.642 2.285 ( 3.151 -1.857 0.157) 3.661 2.341 ( 0.058 0.177 -3.845) 3.850 2.404 ( -0.099 0.570 -0.814) 0.998 2.546 ( -0.557 1.894 -3.432) 3.960 2.601 ( 6.685 -2.214 -5.685) 9.050 2.721 ( 10.272 1.796 -3.767) 11.088 2.931 ( 5.153 3.187 -7.728) 9.820 3.065 ( 9.783 11.193 3.355) 15.239 3.236 ( -0.398 -5.427 -5.476) 7.720 3.343 ( 1.302 -0.285 2.577) 2.901 3.398 ( -7.531 -8.662 -7.478) 13.699 3.576 ( 6.270 3.690 -10.110) 12.455 3.685 ( 12.823 -0.033 5.742) 14.050 3.856 ( 5.675 6.430 0.150) 8.578 3.886 ( 19.873 -1.613 13.815) 24.257 4.036 ( 3.318 2.336 8.580) 9.491 4.113 ( 18.870 3.431 -1.523) 19.240 4.194 ( 18.301 1.462 7.746) 19.926 4.361 ( -4.626 -1.548 3.598) 6.061 4.603 ( 4.873 -0.319 -2.608) 5.536 4.637 ( 3.259 -1.663 -13.220) 13.717 4.839 ( 1.618 -2.437 -1.967) 3.525 4.993 ( 2.772 0.713 5.381) 6.094 5.042 ( -1.471 3.395 -0.346) 3.716 5.159 ( 5.248 0.061 -0.501) 5.272 5.259 ( -3.845 2.004 3.968) 5.877 5.398 ( -8.991 0.922 12.160) 15.151 5.547 ( 3.083 -0.222 1.390) 3.389 5.633 ( 0.320 -3.682 2.372) 4.392 5.653 ( 5.579 -3.934 1.708) 7.037 5.758 ( 3.937 -2.838 -3.341) 5.892 5.857 ( 1.925 0.415 -0.919) 2.173 5.908 ( 0.253 -3.877 -0.482) 3.915 5.998 ( 2.114 0.430 1.004) 2.380 6.057 ( -0.006 0.317 2.074) 2.098 6.160 ( -1.510 3.395 2.727) 4.609 6.215 ( -2.908 4.065 -1.649) 5.263 6.305 ( -2.859 0.314 -4.115) 5.021 6.380 ( -3.761 0.408 -2.764) 4.685 6.509 ( -1.454 0.546 -0.410) 1.606 6.583 ( -1.987 -1.019 -1.988) 2.990 6.699 ( -1.318 -1.447 1.080) 2.235 6.848 ( -5.511 -2.730 2.956) 6.824 7.059 ( 1.806 0.040 -6.786) 7.022 7.129 ( -3.116 -0.140 0.128) 3.121 7.458 ( -7.075 2.062 3.702) 8.247 7.502 ( -12.572 0.648 3.184) 12.985 7.683 ( -15.475 -0.423 -2.358) 15.659 7.738 ( -17.984 -1.084 -2.406) 18.176 7.950 ( -1.338 6.361 8.045) 10.343 8.191 ( -10.465 1.826 9.446) 14.215 8.378 ( 1.632 -3.878 -2.875) 5.096 8.469 ( -3.103 -2.647 -0.122) 4.081 8.646 ( 3.035 1.821 -10.020) 10.627 8.729 ( 0.208 -0.624 -4.696) 4.742 8.771 ( -0.822 0.606 4.374) 4.492 8.832 ( -3.241 -2.111 0.842) 3.958 8.909 ( 3.731 1.153 -1.727) 4.270 9.016 ( 2.409 2.947 -1.120) 3.968 9.157 ( 0.017 3.295 -2.293) 4.014 9.300 ( -2.281 -2.417 -4.332) 5.460 9.428 ( 2.245 0.177 2.043) 3.041 9.482 ( 1.264 -1.446 -2.988) 3.552 9.500 ( -0.613 -2.387 -3.028) 3.904 9.584 ( -2.664 -0.798 -2.348) 3.639 9.702 ( 3.580 0.658 2.345) 4.330 9.854 ( -0.198 -1.846 1.532) 2.407 9.943 ( 3.902 -1.173 -1.347) 4.291 9.979 ( 3.677 -1.533 0.054) 3.984 10.022 ( 4.277 -1.085 -0.258) 4.420 10.107 ( 1.942 -0.388 -0.079) 1.981 10.144 ( 0.443 0.120 -1.246) 1.328 10.212 ( -0.034 -0.399 -1.106) 1.176 10.530 ( -1.660 0.073 8.610) 8.769 10.553 ( -3.785 -0.549 11.754) 12.360 11.115 ( 1.128 0.609 -19.168) 19.210 11.256 ( -4.550 -2.876 -21.147) 21.821 12.149 ( 5.457 2.968 20.344) 21.271 12.354 ( -1.673 -1.809 22.751) 22.884 12.777 ( -0.459 2.041 -9.037) 9.277 12.931 ( -5.556 -1.363 -3.103) 6.508 13.344 ( 0.077 3.408 1.290) 3.644 13.459 ( -3.963 1.973 -3.340) 5.546 13.620 ( 0.150 -1.775 1.949) 2.640 13.697 ( -1.779 -3.228 3.300) 4.947 13.909 ( 3.492 1.507 5.375) 6.585 13.990 ( 3.126 2.100 4.936) 6.209 14.091 ( 0.194 -0.614 1.163) 1.329 14.145 ( -1.521 -0.214 4.012) 4.296 14.356 ( 1.595 0.154 -1.745) 2.369 14.415 ( 1.537 1.646 1.291) 2.596 14.444 ( -1.908 -0.054 -0.758) 2.054 14.512 ( -2.640 1.314 -0.653) 3.021 14.654 ( -0.034 -0.709 4.621) 4.675 14.685 ( 1.667 1.498 -2.307) 3.216 14.728 ( 1.898 -1.205 -0.666) 2.345 14.787 ( 2.635 0.090 -4.939) 5.599 14.888 ( -1.503 -0.096 -9.691) 9.808 14.980 ( -2.367 -1.845 -6.612) 7.261 15.013 ( 0.820 -1.267 -7.067) 7.226 15.093 ( -2.872 -6.907 -8.961) 11.673 15.286 ( 1.260 2.050 5.936) 6.405 15.361 ( -1.769 -0.010 4.739) 5.058 15.417 ( 0.788 -2.320 6.923) 7.343 15.474 ( -0.479 -3.436 7.035) 7.844 15.683 ( 4.423 5.017 1.223) 6.799 15.832 ( 1.122 -0.042 -1.098) 1.570 15.944 ( 8.539 2.353 -5.974) 10.684 16.085 ( 1.047 -0.605 -4.811) 4.961 19.412 ( 2.637 -0.292 2.025) 3.338 19.505 ( -0.172 -0.547 -0.868) 1.040 19.578 ( -3.133 -3.640 1.519) 5.038 19.621 ( -3.951 -2.212 0.061) 4.528 20.133 ( 2.819 1.428 5.340) 6.205 20.180 ( 0.936 -0.027 5.889) 5.963 20.622 ( 0.421 1.218 -15.238) 15.293 20.671 ( -1.649 -0.204 -17.579) 17.657 21.502 ( 1.165 1.180 20.885) 20.950 21.591 ( -2.970 -0.990 21.389) 21.617 22.190 ( 0.684 2.331 -9.516) 9.821 22.280 ( -3.235 -0.375 -9.074) 9.641 26.424 ( 0.635 2.278 6.336) 6.763 26.606 ( -6.845 -2.274 6.645) 9.808 26.853 ( 6.061 3.188 -10.667) 12.676 27.059 ( -1.047 -1.622 -9.310) 9.508 27.344 ( 7.970 1.461 5.713) 9.915 27.602 ( -0.707 -2.014 4.199) 4.710 27.693 ( 3.215 -1.144 -1.280) 3.645 27.757 ( 0.041 -0.179 1.067) 1.082 27.957 ( 4.301 -5.725 -0.403) 7.172 28.062 ( 2.010 -0.751 -1.534) 2.637 28.100 ( 0.453 -1.549 4.371) 4.659 28.274 ( -2.863 -7.465 4.203) 9.032 28.304 ( -1.745 -5.497 6.266) 8.516 28.581 ( -8.265 -8.933 2.253) 12.377 28.688 ( 8.643 12.924 0.480) 15.555 28.729 ( 10.904 13.483 -0.210) 17.341 28.915 ( 0.525 1.330 -9.454) 9.561 28.979 ( -0.080 0.721 -11.031) 11.055 29.124 ( -6.282 9.071 0.629) 11.052 29.152 ( -6.198 9.870 -0.682) 11.674 29.317 ( 0.573 0.859 3.144) 3.309 29.466 ( -7.607 -3.405 3.484) 9.033 29.696 ( 0.487 1.247 -12.856) 12.926 29.780 ( -4.092 -0.368 -9.960) 10.774 30.130 ( 2.905 -1.527 2.333) 4.027 30.177 ( 1.204 -0.755 3.291) 3.584 30.193 ( 3.031 -0.362 0.719) 3.136 30.306 ( -0.033 -0.882 -1.269) 1.545 30.491 ( -0.662 0.706 2.968) 3.122 30.509 ( -0.402 0.299 2.536) 2.585 30.629 ( 3.228 0.933 -2.347) 4.099 30.733 ( -0.621 -0.468 -4.565) 4.631 31.423 ( 6.006 -2.209 7.160) 9.603 31.589 ( 8.416 1.371 1.290) 8.624 31.753 ( -8.142 -6.506 6.006) 12.029 31.935 ( -7.316 -5.262 -1.313) 9.107 ======================= Grid point 45 (20/36) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.826 2.421 3.247) 4.443 1.095 ( 1.826 2.421 3.247) 4.443 1.318 ( -0.641 1.470 1.249) 2.033 1.318 ( 0.641 1.470 1.249) 2.033 1.370 ( -1.878 -2.318 -1.864) 3.518 1.370 ( 1.878 -2.318 -1.864) 3.518 1.430 ( -1.072 -0.781 0.009) 1.326 1.430 ( 1.072 -0.781 0.009) 1.326 1.570 ( -3.147 0.113 -0.658) 3.217 1.570 ( 3.147 0.113 -0.658) 3.217 1.606 ( -1.334 1.473 0.028) 1.987 1.606 ( 1.334 1.473 0.028) 1.987 1.801 ( -3.769 0.578 0.752) 3.887 1.801 ( 3.769 0.578 0.752) 3.887 1.907 ( -1.313 -2.446 -2.666) 3.849 1.907 ( 1.313 -2.446 -2.666) 3.849 1.985 ( -3.151 -3.223 -3.756) 5.867 1.985 ( 3.151 -3.223 -3.756) 5.867 2.073 ( -0.521 -0.018 -1.456) 1.547 2.073 ( 0.521 -0.018 -1.456) 1.547 2.155 ( -1.683 -2.439 1.418) 3.286 2.155 ( 1.683 -2.439 1.418) 3.286 2.288 ( -2.223 0.197 -0.349) 2.259 2.288 ( 2.223 0.197 -0.349) 2.259 2.386 ( -2.379 2.610 -3.666) 5.090 2.386 ( 2.379 2.610 -3.666) 5.090 2.621 ( -7.654 -8.941 -12.663) 17.288 2.621 ( 7.654 -8.941 -12.663) 17.288 2.923 ( -9.061 -5.754 -6.142) 12.366 2.923 ( 9.061 -5.754 -6.142) 12.366 3.113 ( -8.158 -1.757 -2.401) 8.683 3.113 ( 8.158 -1.757 -2.401) 8.683 3.356 ( -5.870 6.317 0.151) 8.625 3.356 ( 5.870 6.317 0.151) 8.625 3.696 ( -5.409 4.241 0.327) 6.881 3.696 ( 5.409 4.241 0.327) 6.881 3.992 ( -7.014 1.395 7.930) 10.679 3.992 ( 7.014 1.395 7.930) 10.679 4.244 ( -14.034 5.454 -0.057) 15.057 4.244 ( 14.034 5.454 -0.057) 15.057 4.469 ( -8.638 -2.436 -2.121) 9.222 4.469 ( 8.638 -2.436 -2.121) 9.222 4.730 ( -6.235 0.503 0.743) 6.299 4.730 ( 6.235 0.503 0.743) 6.299 4.878 ( -10.976 9.553 17.576) 22.818 4.878 ( 10.976 9.553 17.576) 22.818 5.039 ( -8.549 0.594 3.691) 9.331 5.039 ( 8.549 0.594 3.691) 9.331 5.286 ( -2.760 5.410 -5.035) 7.889 5.286 ( 2.760 5.410 -5.035) 7.889 5.675 ( -3.622 -5.882 5.221) 8.659 5.675 ( 3.622 -5.882 5.221) 8.659 5.749 ( -6.197 -2.932 0.461) 6.872 5.749 ( 6.197 -2.932 0.461) 6.872 5.907 ( -1.735 -1.905 0.278) 2.592 5.907 ( 1.735 -1.905 0.278) 2.592 6.026 ( -1.776 1.088 3.286) 3.890 6.026 ( 1.776 1.088 3.286) 3.890 6.167 ( -2.092 3.737 -0.453) 4.306 6.167 ( 2.092 3.737 -0.453) 4.306 6.281 ( -3.488 -0.037 0.943) 3.613 6.281 ( 3.488 -0.037 0.943) 3.613 6.548 ( -3.357 -2.381 -4.551) 6.136 6.548 ( 3.357 -2.381 -4.551) 6.136 6.715 ( -3.823 0.504 1.620) 4.183 6.715 ( 3.823 0.504 1.620) 4.183 7.086 ( -1.164 -1.544 -3.977) 4.422 7.086 ( 1.164 -1.544 -3.977) 4.422 7.356 ( -1.216 0.137 1.078) 1.631 7.356 ( 1.216 0.137 1.078) 1.631 7.483 ( -2.485 -0.644 -2.296) 3.444 7.483 ( 2.485 -0.644 -2.296) 3.444 8.027 ( -6.186 3.624 9.638) 12.012 8.027 ( 6.186 3.624 9.638) 12.012 8.410 ( -2.036 -3.700 -0.563) 4.261 8.410 ( 2.036 -3.700 -0.563) 4.261 8.711 ( -2.788 -0.214 -8.163) 8.628 8.711 ( 2.788 -0.214 -8.163) 8.628 8.771 ( -2.307 -1.521 1.598) 3.192 8.771 ( 2.307 -1.521 1.598) 3.192 9.009 ( -3.629 2.569 -3.225) 5.493 9.009 ( 3.629 2.569 -3.225) 5.493 9.206 ( -5.024 -0.040 -6.299) 8.057 9.206 ( 5.024 -0.040 -6.299) 8.057 9.467 ( -1.855 -1.387 -1.554) 2.789 9.467 ( 1.855 -1.387 -1.554) 2.789 9.529 ( -2.648 -0.547 -2.084) 3.413 9.529 ( 2.648 -0.547 -2.084) 3.413 9.803 ( -4.726 -1.876 4.558) 6.829 9.803 ( 4.726 -1.876 4.558) 6.829 9.997 ( -1.556 -1.578 1.351) 2.595 9.997 ( 1.556 -1.578 1.351) 2.595 10.106 ( -2.170 -0.448 -0.903) 2.393 10.106 ( 2.170 -0.448 -0.903) 2.393 10.178 ( -2.973 -2.090 -0.854) 3.733 10.178 ( 2.973 -2.090 -0.854) 3.733 10.515 ( -0.745 0.450 9.001) 9.043 10.515 ( 0.745 0.450 9.001) 9.043 11.166 ( -3.660 -0.962 -21.312) 21.645 11.166 ( 3.660 -0.962 -21.312) 21.645 12.274 ( -5.681 1.629 20.483) 21.319 12.274 ( 5.681 1.629 20.483) 21.319 12.821 ( -4.292 0.821 -4.997) 6.638 12.821 ( 4.292 0.821 -4.997) 6.638 13.378 ( -3.115 3.312 -0.387) 4.563 13.378 ( 3.115 3.312 -0.387) 4.563 13.645 ( -2.223 -2.258 4.405) 5.427 13.645 ( 2.223 -2.258 4.405) 5.427 14.000 ( -3.441 1.293 6.139) 7.155 14.000 ( 3.441 1.293 6.139) 7.155 14.096 ( -2.120 -0.354 4.463) 4.953 14.096 ( 2.120 -0.354 4.463) 4.953 14.396 ( -2.104 0.050 -2.243) 3.076 14.396 ( 2.104 0.050 -2.243) 3.076 14.460 ( -2.245 2.159 -0.534) 3.160 14.460 ( 2.245 2.159 -0.534) 3.160 14.668 ( -1.667 -0.817 4.424) 4.798 14.668 ( 1.667 -0.817 4.424) 4.798 14.815 ( -3.419 0.506 -9.438) 10.051 14.815 ( 3.419 0.506 -9.438) 10.051 14.889 ( -4.336 -2.899 -7.860) 9.433 14.889 ( 4.336 -2.899 -7.860) 9.433 15.044 ( -1.846 -2.668 -6.905) 7.629 15.044 ( 1.846 -2.668 -6.905) 7.629 15.319 ( -1.910 1.416 4.889) 5.436 15.319 ( 1.910 1.416 4.889) 5.436 15.450 ( -1.755 -3.096 6.078) 7.043 15.450 ( 1.755 -3.096 6.078) 7.043 15.787 ( -4.563 3.630 1.869) 6.123 15.787 ( 4.563 3.630 1.869) 6.123 16.070 ( -3.120 1.238 -6.350) 7.183 16.070 ( 3.120 1.238 -6.350) 7.183 19.475 ( -2.963 -1.251 1.201) 3.433 19.475 ( 2.963 -1.251 1.201) 3.433 19.556 ( -1.639 -2.591 0.064) 3.067 19.556 ( 1.639 -2.591 0.064) 3.067 20.177 ( -1.203 1.035 5.070) 5.313 20.177 ( 1.203 1.035 5.070) 5.313 20.640 ( -1.286 0.426 -15.861) 15.919 20.640 ( 1.286 0.426 -15.861) 15.919 21.536 ( -2.175 -0.020 21.093) 21.205 21.536 ( 2.175 -0.020 21.093) 21.205 22.222 ( -2.255 0.402 -9.215) 9.496 22.222 ( 2.255 0.402 -9.215) 9.496 26.481 ( -4.635 0.480 7.603) 8.917 26.481 ( 4.635 0.480 7.603) 8.917 26.982 ( -5.648 0.991 -12.900) 14.117 26.982 ( 5.648 0.991 -12.900) 14.117 27.507 ( -6.981 1.696 5.806) 9.236 27.507 ( 6.981 1.696 5.806) 9.236 27.746 ( -2.247 -0.777 0.314) 2.398 27.746 ( 2.247 -0.777 0.314) 2.398 28.069 ( -3.160 -3.755 2.568) 5.539 28.069 ( 3.160 -3.755 2.568) 5.539 28.133 ( -5.556 -8.581 1.685) 10.361 28.133 ( 5.556 -8.581 1.685) 10.361 28.399 ( -7.637 -7.919 5.373) 12.244 28.399 ( 7.637 -7.919 5.373) 12.244 28.886 ( -6.426 10.347 -6.006) 13.580 28.886 ( 6.426 10.347 -6.006) 13.580 28.953 ( -7.946 11.959 -1.237) 14.411 28.953 ( 7.946 11.959 -1.237) 14.411 29.001 ( -3.942 8.027 -3.855) 9.738 29.001 ( 3.942 8.027 -3.855) 9.738 29.354 ( -3.319 -1.541 3.519) 5.077 29.354 ( 3.319 -1.541 3.519) 5.077 29.719 ( -1.873 -0.184 -12.232) 12.376 29.719 ( 1.873 -0.184 -12.232) 12.376 30.175 ( -1.109 -2.084 3.365) 4.111 30.175 ( 1.109 -2.084 3.365) 4.111 30.269 ( -3.195 -0.804 -0.922) 3.421 30.269 ( 3.195 -0.804 -0.922) 3.421 30.495 ( -0.836 0.270 2.797) 2.931 30.495 ( 0.836 0.270 2.797) 2.931 30.695 ( -2.803 0.483 -3.811) 4.755 30.695 ( 2.803 0.483 -3.811) 4.755 31.565 ( -7.481 -5.683 7.611) 12.091 31.565 ( 7.481 -5.683 7.611) 12.091 31.779 ( -7.633 -2.287 -0.403) 7.979 31.779 ( 7.633 -2.287 -0.403) 7.979 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 6.786 10.823) 12.774 1.013 ( 0.000 3.193 7.090) 7.776 1.138 ( 0.000 6.379 5.125) 8.183 1.199 ( 0.000 6.001 -0.627) 6.033 1.247 ( 0.000 1.521 -3.783) 4.077 1.329 ( 0.000 -3.317 -0.630) 3.376 1.402 ( 0.000 3.542 1.815) 3.980 1.457 ( 0.000 -1.356 1.953) 2.378 1.498 ( 0.000 2.135 -0.619) 2.223 1.533 ( 0.000 -0.161 0.409) 0.440 1.578 ( 0.000 0.176 -1.754) 1.762 1.598 ( 0.000 -0.184 -3.135) 3.141 1.693 ( 0.000 11.141 1.859) 11.295 1.752 ( 0.000 4.725 1.971) 5.120 1.773 ( 0.000 3.237 6.381) 7.155 1.824 ( 0.000 -1.411 4.770) 4.974 1.868 ( 0.000 1.331 3.736) 3.966 1.899 ( 0.000 1.311 3.513) 3.750 1.975 ( 0.000 6.545 4.805) 8.120 2.042 ( 0.000 3.345 2.410) 4.123 2.066 ( 0.000 0.703 -2.583) 2.677 2.113 ( 0.000 3.424 1.492) 3.735 2.180 ( 0.000 -7.269 2.818) 7.796 2.197 ( 0.000 -2.415 0.329) 2.437 2.318 ( 0.000 0.609 -1.983) 2.074 2.405 ( 0.000 -9.965 -7.129) 12.252 2.480 ( 0.000 10.437 0.982) 10.483 2.578 ( 0.000 4.806 7.803) 9.164 2.634 ( 0.000 2.412 -0.262) 2.426 2.738 ( 0.000 8.523 -2.055) 8.767 2.764 ( 0.000 -5.304 8.209) 9.773 2.952 ( 0.000 -12.133 -11.699) 16.855 3.085 ( 0.000 10.127 13.011) 16.487 3.270 ( 0.000 0.715 12.982) 13.002 3.424 ( 0.000 16.258 -4.397) 16.842 3.505 ( 0.000 5.377 -3.610) 6.477 3.547 ( 0.000 8.302 -1.266) 8.398 3.712 ( 0.000 10.424 3.129) 10.884 3.940 ( 0.000 1.811 9.837) 10.002 4.034 ( 0.000 -3.597 4.928) 6.101 4.162 ( 0.000 -20.097 6.852) 21.233 4.268 ( 0.000 -14.635 -6.789) 16.133 4.328 ( 0.000 0.883 -1.721) 1.935 4.493 ( 0.000 -19.476 0.884) 19.496 4.608 ( 0.000 1.886 -3.821) 4.261 4.744 ( 0.000 -10.026 -0.095) 10.027 4.893 ( 0.000 1.473 -8.919) 9.040 4.958 ( 0.000 -0.612 -20.266) 20.275 5.094 ( 0.000 -1.407 2.572) 2.932 5.171 ( 0.000 -5.573 -2.933) 6.297 5.378 ( 0.000 0.642 -8.221) 8.247 5.471 ( 0.000 -6.177 -10.983) 12.601 5.755 ( 0.000 -0.701 -0.127) 0.713 5.778 ( 0.000 -3.211 -0.377) 3.233 5.905 ( 0.000 4.160 1.554) 4.441 5.983 ( 0.000 -1.394 -1.470) 2.025 6.004 ( 0.000 2.442 0.710) 2.543 6.025 ( 0.000 -1.231 1.287) 1.781 6.212 ( 0.000 1.242 4.067) 4.252 6.249 ( 0.000 -2.322 4.143) 4.750 6.395 ( 0.000 3.956 -5.041) 6.408 6.473 ( 0.000 -2.640 -2.212) 3.444 6.611 ( 0.000 1.515 0.668) 1.655 6.642 ( 0.000 -0.360 3.534) 3.552 6.873 ( 0.000 3.566 -6.703) 7.593 6.927 ( 0.000 -0.734 -3.967) 4.035 7.082 ( 0.000 3.205 -13.538) 13.913 7.158 ( 0.000 -4.805 -13.447) 14.279 7.606 ( 0.000 4.291 18.664) 19.151 7.708 ( 0.000 -5.685 15.816) 16.807 8.046 ( 0.000 3.001 1.201) 3.232 8.102 ( 0.000 -2.699 -1.642) 3.159 8.298 ( 0.000 8.648 0.719) 8.678 8.450 ( 0.000 -3.128 2.697) 4.131 8.603 ( 0.000 8.886 1.821) 9.071 8.678 ( 0.000 1.228 0.256) 1.255 8.739 ( 0.000 1.234 -3.221) 3.449 8.827 ( 0.000 -3.618 -0.829) 3.711 8.851 ( 0.000 4.535 1.765) 4.866 8.883 ( 0.000 0.661 -2.069) 2.171 8.991 ( 0.000 3.099 3.522) 4.691 9.043 ( 0.000 -0.439 1.866) 1.917 9.165 ( 0.000 0.137 6.244) 6.246 9.228 ( 0.000 -1.421 4.473) 4.693 9.376 ( 0.000 0.954 -0.818) 1.256 9.395 ( 0.000 -1.026 -1.722) 2.004 9.503 ( 0.000 5.408 -6.117) 8.165 9.603 ( 0.000 -1.392 -2.143) 2.555 9.693 ( 0.000 -0.499 2.145) 2.202 9.748 ( 0.000 -6.309 -0.716) 6.350 9.808 ( 0.000 1.878 -0.837) 2.056 9.826 ( 0.000 -0.058 -1.621) 1.622 9.999 ( 0.000 1.223 -2.119) 2.447 10.012 ( 0.000 -0.386 -1.213) 1.273 10.179 ( 0.000 2.816 -2.494) 3.761 10.202 ( 0.000 0.351 -3.883) 3.899 10.602 ( 0.000 2.382 10.863) 11.121 10.668 ( 0.000 -5.118 13.888) 14.801 11.174 ( 0.000 4.273 -16.403) 16.950 11.279 ( 0.000 -6.090 -16.944) 18.005 12.108 ( 0.000 4.231 23.777) 24.150 12.212 ( 0.000 -6.192 24.576) 25.344 12.912 ( 0.000 2.484 -9.298) 9.624 12.985 ( 0.000 -4.776 -6.305) 7.910 13.465 ( 0.000 2.993 3.834) 4.864 13.507 ( 0.000 -0.434 1.643) 1.700 13.606 ( 0.000 0.339 -3.963) 3.978 13.634 ( 0.000 -2.026 -2.509) 3.225 13.863 ( 0.000 1.472 -6.262) 6.432 13.912 ( 0.000 -3.678 -5.515) 6.629 14.040 ( 0.000 3.239 -2.832) 4.303 14.068 ( 0.000 0.053 -4.030) 4.030 14.343 ( 0.000 -0.976 6.304) 6.379 14.354 ( 0.000 -1.568 6.539) 6.725 14.521 ( 0.000 3.027 1.476) 3.367 14.589 ( 0.000 -2.642 -0.067) 2.643 14.619 ( 0.000 1.859 2.850) 3.402 14.680 ( 0.000 -3.003 1.978) 3.596 14.759 ( 0.000 4.762 1.674) 5.047 14.829 ( 0.000 2.457 -9.394) 9.710 14.889 ( 0.000 -1.157 -2.707) 2.944 14.964 ( 0.000 -2.709 -4.715) 5.438 14.973 ( 0.000 -2.239 -7.945) 8.254 15.009 ( 0.000 -3.082 -4.470) 5.430 15.257 ( 0.000 0.344 6.253) 6.262 15.285 ( 0.000 -2.516 6.791) 7.242 15.431 ( 0.000 1.791 2.469) 3.050 15.496 ( 0.000 -5.395 4.921) 7.302 15.626 ( 0.000 2.656 0.480) 2.699 15.675 ( 0.000 -1.997 -0.049) 1.997 15.719 ( 0.000 3.804 0.022) 3.804 15.784 ( 0.000 -2.927 0.623) 2.993 19.450 ( 0.000 5.321 1.274) 5.472 19.533 ( 0.000 -0.802 -1.279) 1.510 19.608 ( 0.000 -0.167 0.590) 0.614 19.671 ( 0.000 -4.102 -1.654) 4.423 20.063 ( 0.000 1.218 9.274) 9.353 20.091 ( 0.000 -1.799 9.630) 9.797 20.660 ( 0.000 2.059 -17.516) 17.636 20.694 ( 0.000 -1.390 -19.124) 19.175 21.542 ( 0.000 4.020 21.631) 22.001 21.617 ( 0.000 -3.507 21.749) 22.030 22.344 ( 0.000 2.674 -12.799) 13.076 22.375 ( 0.000 -0.811 -10.556) 10.587 26.598 ( 0.000 3.403 1.049) 3.561 26.644 ( 0.000 0.094 -1.438) 1.441 26.832 ( 0.000 -1.049 1.115) 1.530 26.884 ( 0.000 -4.695 0.627) 4.737 27.158 ( 0.000 3.909 7.168) 8.164 27.278 ( 0.000 -8.011 7.395) 10.902 27.617 ( 0.000 2.860 -11.702) 12.047 27.675 ( 0.000 -3.230 -8.730) 9.308 28.044 ( 0.000 1.414 1.672) 2.190 28.050 ( 0.000 1.130 3.492) 3.671 28.160 ( 0.000 8.053 0.648) 8.079 28.285 ( 0.000 -4.827 1.775) 5.143 28.475 ( 0.000 8.539 8.366) 11.954 28.633 ( 0.000 8.951 1.757) 9.122 28.661 ( 0.000 13.303 0.962) 13.338 28.730 ( 0.000 -7.694 1.190) 7.785 28.876 ( 0.000 -6.763 -0.964) 6.831 28.950 ( 0.000 -11.239 -2.311) 11.474 28.977 ( 0.000 -2.560 -8.842) 9.206 29.002 ( 0.000 -4.702 -6.098) 7.700 29.406 ( 0.000 6.371 4.417) 7.752 29.571 ( 0.000 -10.464 5.706) 11.919 29.786 ( 0.000 5.583 -10.531) 11.919 29.893 ( 0.000 -5.006 -6.778) 8.426 30.128 ( 0.000 3.076 2.009) 3.674 30.169 ( 0.000 -0.541 2.514) 2.571 30.169 ( 0.000 1.544 0.277) 1.569 30.207 ( 0.000 -1.628 -0.074) 1.630 30.494 ( 0.000 1.527 3.222) 3.566 30.527 ( 0.000 -1.570 3.812) 4.123 30.603 ( 0.000 1.762 -1.507) 2.319 30.647 ( 0.000 -2.499 -1.910) 3.145 31.507 ( 0.000 12.566 2.004) 12.724 31.607 ( 0.000 10.017 -3.462) 10.599 31.827 ( 0.000 -6.146 4.662) 7.715 31.957 ( 0.000 -11.586 -1.561) 11.690 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 5.398 7.160 3.787) 9.733 1.146 ( 5.672 3.716 3.817) 7.781 1.190 ( 3.348 3.977 3.278) 6.146 1.230 ( 3.042 1.637 -1.076) 3.618 1.353 ( 4.756 1.707 -0.229) 5.058 1.383 ( 1.530 0.216 -1.088) 1.889 1.442 ( 0.008 1.107 2.209) 2.471 1.472 ( -0.017 -0.743 -1.627) 1.789 1.509 ( 1.185 4.422 -2.865) 5.401 1.561 ( 3.635 1.294 0.351) 3.875 1.582 ( 0.896 0.537 -1.028) 1.466 1.603 ( 1.752 1.347 0.565) 2.281 1.684 ( 0.492 0.629 -1.498) 1.698 1.765 ( -0.610 1.039 3.215) 3.433 1.800 ( 2.460 0.800 -0.726) 2.687 1.854 ( 4.134 -1.100 1.208) 4.445 1.901 ( 2.303 2.467 1.447) 3.673 1.929 ( 3.428 -0.207 0.983) 3.572 2.031 ( 3.671 2.851 1.675) 4.941 2.052 ( -0.325 2.012 -0.144) 2.043 2.073 ( 1.084 0.233 -1.560) 1.914 2.151 ( 1.818 0.042 3.974) 4.370 2.190 ( 2.731 0.706 1.680) 3.283 2.243 ( 1.898 -1.578 1.589) 2.935 2.325 ( 1.321 1.643 -2.337) 3.147 2.404 ( -1.726 -5.018 -1.072) 5.414 2.520 ( 4.359 8.872 -5.997) 11.562 2.659 ( 5.319 -3.015 -7.902) 9.991 2.712 ( 3.619 8.590 5.068) 10.610 2.799 ( 5.710 4.331 -2.079) 7.462 2.902 ( 8.268 -2.563 1.855) 8.852 3.013 ( 10.482 -11.196 2.854) 15.601 3.173 ( 10.188 7.519 12.000) 17.445 3.327 ( 6.399 -3.647 10.664) 12.961 3.453 ( 0.735 4.654 -2.093) 5.156 3.534 ( 7.430 1.690 -3.829) 8.528 3.610 ( 8.634 18.976 -1.874) 20.932 3.743 ( 5.000 3.656 2.488) 6.675 3.872 ( -4.094 -5.566 6.038) 9.176 4.067 ( -4.766 -13.222 2.241) 14.233 4.179 ( 3.421 3.196 -1.543) 4.930 4.287 ( 5.641 -4.893 -3.573) 8.278 4.434 ( 9.275 0.066 0.824) 9.312 4.567 ( 6.183 -4.410 -2.290) 7.932 4.642 ( 1.162 1.529 -4.236) 4.651 4.781 ( 7.306 -9.045 2.687) 11.934 4.903 ( 3.164 -3.676 -0.250) 4.857 4.959 ( 4.024 -7.468 5.606) 10.169 5.178 ( 7.261 3.838 -0.598) 8.234 5.328 ( 6.940 -9.515 -1.248) 11.844 5.453 ( 6.157 1.545 -9.492) 11.419 5.532 ( 4.516 -4.397 -9.943) 11.773 5.697 ( -5.129 1.712 2.609) 6.004 5.747 ( -2.585 -3.150 -1.426) 4.317 5.863 ( -3.323 3.025 -1.281) 4.673 5.917 ( -3.572 -1.016 -1.735) 4.099 6.010 ( 0.029 2.161 1.400) 2.575 6.042 ( 0.673 -1.212 0.670) 1.539 6.213 ( -0.042 1.026 4.553) 4.667 6.243 ( -0.614 -1.906 3.255) 3.822 6.396 ( 0.122 4.499 -5.285) 6.942 6.472 ( -0.898 -1.380 -1.479) 2.213 6.584 ( -3.224 1.393 1.351) 3.763 6.626 ( -2.176 -1.190 2.499) 3.521 6.789 ( -6.404 2.084 -3.270) 7.487 6.834 ( -4.352 -2.237 -2.953) 5.716 7.082 ( -0.213 3.668 -12.793) 13.311 7.157 ( -1.433 -3.824 -11.543) 12.244 7.616 ( -0.554 3.957 13.168) 13.761 7.685 ( -3.215 -2.844 9.980) 10.864 7.975 ( -8.466 2.353 -0.729) 8.817 8.024 ( -8.960 -2.249 -1.956) 9.442 8.264 ( -7.136 7.313 2.616) 10.547 8.360 ( -8.281 -0.318 0.272) 8.292 8.480 ( -8.824 2.419 3.565) 9.820 8.535 ( -8.610 -2.426 2.849) 9.388 8.667 ( -2.983 3.135 -4.168) 6.008 8.734 ( -4.005 -3.400 -1.735) 5.533 8.843 ( -3.915 2.632 3.343) 5.782 8.856 ( -3.213 2.157 3.326) 5.102 8.969 ( -0.101 3.607 1.593) 3.945 9.034 ( 0.699 -0.489 0.170) 0.870 9.216 ( 1.988 -0.184 3.366) 3.913 9.238 ( 0.516 0.002 0.429) 0.671 9.380 ( 1.464 -0.018 -0.289) 1.492 9.417 ( 1.423 -3.103 -3.780) 5.093 9.501 ( -0.822 4.249 -4.785) 6.452 9.587 ( -1.590 -3.597 -3.112) 5.015 9.685 ( 1.124 2.796 3.082) 4.310 9.774 ( 1.644 -5.067 -0.074) 5.328 9.857 ( 4.345 2.024 -0.497) 4.819 9.887 ( 4.227 -0.993 -0.671) 4.394 9.996 ( -0.397 1.670 -1.698) 2.414 10.027 ( 1.076 -1.711 -2.120) 2.929 10.180 ( 0.171 2.695 -1.701) 3.191 10.209 ( 0.307 -0.220 -2.510) 2.539 10.577 ( -1.980 1.254 10.218) 10.484 10.612 ( -4.169 -2.772 12.748) 13.696 11.159 ( -1.188 3.630 -17.195) 17.614 11.248 ( -2.520 -5.309 -18.009) 18.944 12.138 ( 2.942 4.780 22.835) 23.515 12.245 ( 2.775 -5.959 23.940) 24.826 12.874 ( -2.797 3.216 -9.005) 9.963 12.953 ( -2.633 -4.546 -5.921) 7.916 13.450 ( -1.677 4.351 4.164) 6.251 13.505 ( 0.074 -0.646 0.480) 0.809 13.603 ( -0.888 -0.788 -4.463) 4.618 13.629 ( 0.278 -3.124 -0.753) 3.225 13.909 ( 1.036 0.673 -2.051) 2.394 13.928 ( 3.446 -0.901 -0.820) 3.655 14.077 ( 2.767 2.972 -1.704) 4.403 14.115 ( 3.010 -0.968 -2.623) 4.108 14.342 ( 0.394 0.488 5.345) 5.381 14.371 ( 1.572 -1.895 4.487) 5.118 14.501 ( -1.112 2.683 1.540) 3.287 14.551 ( -1.336 -1.672 0.278) 2.158 14.654 ( 0.867 -0.161 1.635) 1.858 14.666 ( -1.354 -0.382 3.192) 3.489 14.768 ( 0.296 3.806 -1.376) 4.058 14.815 ( -2.766 3.477 -5.245) 6.874 14.887 ( 1.430 -2.621 -6.321) 6.990 14.932 ( -1.844 -5.671 -7.699) 9.739 14.975 ( 0.663 0.297 -5.652) 5.698 15.008 ( -0.453 -3.383 -6.227) 7.100 15.285 ( 1.827 1.151 6.277) 6.638 15.322 ( 2.074 -2.602 6.627) 7.415 15.421 ( -1.197 1.398 4.454) 4.819 15.458 ( -2.009 -2.245 6.135) 6.835 15.679 ( 3.618 2.606 -0.455) 4.482 15.722 ( 4.239 -1.714 -1.828) 4.925 15.818 ( 8.631 3.862 -2.349) 9.743 15.902 ( 8.952 -4.930 -3.268) 10.729 19.434 ( -1.042 4.473 1.985) 5.003 19.517 ( -1.492 -2.163 -0.361) 2.653 19.581 ( -2.247 0.333 0.248) 2.285 19.640 ( -2.807 -3.738 -1.283) 4.847 20.097 ( 2.800 1.202 8.007) 8.568 20.121 ( 2.513 -1.408 8.390) 8.871 20.656 ( -0.391 1.845 -16.932) 17.036 20.685 ( -0.787 -1.164 -18.373) 18.427 21.539 ( -0.314 3.323 21.441) 21.699 21.601 ( -1.396 -2.958 21.599) 21.845 22.294 ( -3.637 3.171 -11.093) 12.097 22.335 ( -3.300 -1.261 -9.966) 10.573 26.533 ( -3.652 4.662 3.850) 7.064 26.627 ( -3.029 -4.723 2.477) 6.134 26.849 ( 2.747 4.138 -4.013) 6.385 26.945 ( 3.975 -5.146 -4.144) 7.711 27.231 ( 6.581 4.134 7.068) 10.505 27.352 ( 6.604 -7.946 7.335) 12.671 27.650 ( 2.269 2.470 -9.101) 9.699 27.712 ( 2.691 -3.966 -8.569) 9.819 28.010 ( -3.312 5.053 2.376) 6.492 28.054 ( -0.065 -0.226 2.216) 2.228 28.109 ( -2.814 4.426 1.646) 5.497 28.233 ( -4.838 -6.978 1.994) 8.722 28.394 ( -5.248 6.307 8.182) 11.587 28.563 ( -8.368 -10.963 3.998) 14.359 28.751 ( 7.382 12.455 -1.240) 14.531 28.798 ( 9.889 14.872 0.591) 17.870 28.908 ( 1.277 -1.431 -8.845) 9.050 28.982 ( 1.651 1.191 -9.175) 9.398 29.066 ( 7.126 -9.927 -0.145) 12.221 29.095 ( 7.049 -9.113 -0.353) 11.526 29.386 ( -1.686 5.071 4.110) 6.741 29.516 ( -4.734 -7.956 5.120) 10.580 29.766 ( -1.660 4.485 -11.127) 12.111 29.851 ( -3.720 -3.823 -8.543) 10.072 30.107 ( -0.279 2.466 2.781) 3.727 30.148 ( -0.556 -1.703 4.004) 4.387 30.202 ( 1.235 3.411 -0.787) 3.712 30.252 ( 2.292 -1.766 -0.883) 3.025 30.509 ( 0.623 0.948 2.504) 2.749 30.527 ( -0.399 -0.733 2.930) 3.047 30.611 ( 1.434 2.568 -1.496) 3.299 30.669 ( 2.079 -3.249 -2.910) 4.832 31.487 ( -2.858 10.147 3.758) 11.191 31.589 ( 0.032 7.606 -1.066) 7.681 31.760 ( -5.636 -5.508 5.440) 9.576 31.896 ( -4.700 -11.296 -0.891) 12.267 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.435 6.454 -4.911) 8.122 1.213 ( 2.569 0.081 -4.873) 5.509 1.248 ( 1.195 4.278 -4.110) 6.052 1.294 ( 2.778 -0.757 -1.660) 3.323 1.362 ( -1.839 -0.059 -1.896) 2.642 1.383 ( -1.206 -1.480 -0.861) 2.094 1.417 ( -1.834 0.704 -1.290) 2.350 1.432 ( -2.151 -0.805 0.538) 2.359 1.530 ( 0.741 3.038 -2.091) 3.762 1.586 ( 1.144 -0.774 -1.245) 1.860 1.616 ( -1.110 0.270 -0.801) 1.395 1.630 ( 0.371 -0.128 -1.513) 1.563 1.735 ( 3.895 -0.589 -1.261) 4.136 1.760 ( 1.875 -1.950 0.625) 2.777 1.865 ( 0.701 -0.845 -0.687) 1.295 1.877 ( 0.314 -0.966 -2.954) 3.123 1.940 ( 0.969 3.744 -2.227) 4.462 2.003 ( 0.544 -1.645 -0.593) 1.831 2.041 ( -0.733 0.526 -1.743) 1.963 2.063 ( 0.405 -0.726 -2.418) 2.557 2.121 ( 1.480 0.810 -0.613) 1.795 2.142 ( -1.381 -1.746 2.168) 3.107 2.240 ( 1.683 -0.296 2.784) 3.267 2.257 ( 0.150 -1.319 0.066) 1.329 2.366 ( 2.666 1.967 -4.845) 5.870 2.400 ( 2.090 -1.317 -3.893) 4.610 2.576 ( -1.790 3.223 -9.067) 9.787 2.639 ( -5.167 1.382 -13.073) 14.125 2.770 ( 3.767 3.833 -5.777) 7.890 2.859 ( -0.593 -4.555 -10.624) 11.574 3.061 ( 0.065 -5.566 -6.869) 8.841 3.118 ( -2.241 -11.729 -4.169) 12.648 3.372 ( 8.494 7.612 18.885) 22.062 3.424 ( 8.851 5.244 12.819) 16.437 3.601 ( 3.377 2.836 7.611) 8.796 3.733 ( 1.026 -3.220 2.809) 4.394 3.908 ( 21.814 3.739 7.235) 23.285 3.967 ( 11.268 0.599 8.006) 13.835 4.021 ( 18.256 4.451 2.712) 18.985 4.177 ( 9.056 -5.429 3.117) 11.009 4.250 ( 12.730 7.005 0.248) 14.533 4.351 ( 1.435 -0.242 -2.846) 3.196 4.549 ( 7.351 2.732 -6.056) 9.908 4.677 ( 4.662 -6.185 -2.942) 8.285 4.845 ( 13.180 9.825 1.568) 16.514 5.018 ( 8.537 0.604 2.339) 8.872 5.051 ( 10.316 -3.370 7.889) 13.417 5.129 ( 8.215 -4.133 7.578) 11.916 5.264 ( 0.638 2.879 4.688) 5.538 5.413 ( -1.902 -4.995 7.362) 9.097 5.447 ( -2.678 -1.616 4.863) 5.782 5.534 ( -2.021 -5.880 5.688) 8.426 5.686 ( 4.832 5.300 -6.224) 9.496 5.764 ( 3.205 0.777 -7.478) 8.173 5.814 ( -0.104 -0.787 -2.770) 2.881 5.876 ( -0.241 -2.432 -3.377) 4.169 6.011 ( 0.764 1.635 1.829) 2.569 6.049 ( 0.022 -1.487 2.172) 2.633 6.193 ( -2.317 0.960 3.751) 4.512 6.226 ( -1.447 -2.228 0.889) 2.801 6.376 ( -3.790 4.672 -0.555) 6.042 6.395 ( -5.123 1.516 2.890) 6.074 6.495 ( -3.382 -0.990 2.086) 4.095 6.542 ( -3.807 -3.714 1.469) 5.518 6.727 ( 0.476 4.564 -5.974) 7.533 6.805 ( -0.681 -2.499 -3.710) 4.525 7.057 ( -1.929 0.517 -11.617) 11.788 7.097 ( -3.576 -2.821 -9.045) 10.127 7.504 ( -9.822 2.904 2.809) 10.621 7.537 ( -10.382 0.644 2.891) 10.796 7.672 ( -17.874 0.369 -1.942) 17.983 7.706 ( -18.776 -2.140 -2.733) 19.094 8.078 ( -3.910 6.329 5.003) 8.965 8.179 ( -6.613 -3.706 4.278) 8.704 8.363 ( -2.169 2.863 5.851) 6.865 8.426 ( -4.221 -2.582 5.458) 7.367 8.662 ( 0.896 0.246 -6.231) 6.300 8.691 ( -0.842 -2.878 1.289) 3.264 8.774 ( -2.837 0.717 0.856) 3.049 8.792 ( -0.900 -1.057 -4.480) 4.690 8.992 ( 2.458 5.247 0.188) 5.798 9.055 ( 1.269 -0.211 0.665) 1.448 9.208 ( -1.394 1.916 -3.382) 4.129 9.248 ( -1.333 -2.533 -4.428) 5.272 9.415 ( 1.371 -0.499 -1.971) 2.452 9.438 ( 0.948 -2.572 -3.667) 4.579 9.499 ( 0.632 2.090 -2.114) 3.039 9.551 ( -1.582 -2.615 -2.630) 4.032 9.724 ( 1.968 2.278 2.570) 3.958 9.794 ( -0.257 -4.206 1.683) 4.538 9.941 ( 2.457 1.317 -3.886) 4.782 9.962 ( 2.637 -0.439 1.118) 2.898 10.011 ( 2.624 0.135 2.024) 3.317 10.049 ( 1.271 -3.608 -0.359) 3.842 10.176 ( -0.778 1.775 -0.422) 1.983 10.202 ( -1.223 -0.881 -0.499) 1.588 10.536 ( -1.634 0.531 9.583) 9.736 10.546 ( -1.693 -0.392 9.887) 10.039 11.140 ( -0.354 2.013 -18.888) 18.998 11.192 ( -2.569 -3.293 -19.655) 20.094 12.223 ( 4.672 4.349 21.032) 21.980 12.302 ( 1.991 -3.560 22.146) 22.519 12.829 ( -1.095 3.163 -7.197) 7.937 12.889 ( -3.185 -2.836 -4.901) 6.497 13.430 ( 0.113 4.980 3.181) 5.911 13.490 ( -1.525 0.029 0.784) 1.715 13.584 ( -0.574 -0.978 -1.723) 2.062 13.619 ( -1.475 -4.051 -0.352) 4.326 13.954 ( 3.586 2.872 4.520) 6.445 14.000 ( 3.231 -1.361 4.238) 5.500 14.103 ( -0.740 1.688 2.233) 2.895 14.133 ( -1.468 -1.112 3.245) 3.731 14.368 ( 1.627 1.301 0.244) 2.097 14.402 ( 0.711 -1.886 1.324) 2.411 14.492 ( 0.215 3.273 0.040) 3.280 14.528 ( -1.320 -0.233 -0.937) 1.636 14.644 ( -0.467 -0.115 3.529) 3.561 14.667 ( 1.488 -2.517 1.576) 3.322 14.746 ( -1.148 3.669 -4.344) 5.801 14.811 ( 1.250 0.969 -8.668) 8.811 14.876 ( -1.958 -2.027 -7.401) 7.920 14.888 ( -2.606 -4.882 -6.807) 8.773 14.994 ( 0.879 -0.229 -7.126) 7.184 15.009 ( 0.402 -1.729 -7.681) 7.884 15.325 ( 1.751 1.742 6.687) 7.129 15.353 ( 0.953 -1.101 6.500) 6.662 15.394 ( -1.097 0.311 6.979) 7.071 15.420 ( -1.508 -2.106 7.443) 7.881 15.766 ( 4.515 3.465 0.209) 5.695 15.816 ( 3.618 -1.682 -0.212) 3.996 16.002 ( 7.352 3.273 -7.357) 10.903 16.057 ( 4.852 -2.276 -7.613) 9.310 19.426 ( 0.505 1.984 2.067) 2.909 19.482 ( -1.513 -3.058 1.065) 3.574 19.530 ( -2.254 0.474 -0.487) 2.354 19.569 ( -3.596 -2.811 -0.792) 4.632 20.159 ( 2.710 1.118 6.233) 6.888 20.175 ( 2.116 -0.522 6.467) 6.824 20.647 ( -0.354 1.206 -15.865) 15.915 20.664 ( -1.064 -0.604 -16.731) 16.775 21.531 ( -0.288 1.760 21.184) 21.259 21.565 ( -1.839 -1.641 21.325) 21.467 22.236 ( -1.528 2.125 -9.605) 9.956 22.267 ( -2.716 -1.109 -9.377) 9.825 26.481 ( -1.067 3.434 6.740) 7.639 26.549 ( -3.721 -3.419 6.800) 8.472 26.928 ( 4.217 4.345 -10.565) 12.177 27.008 ( 1.546 -3.640 -10.428) 11.153 27.400 ( 8.676 4.484 6.469) 11.715 27.510 ( 7.026 -6.460 5.908) 11.225 27.693 ( 1.718 1.626 -4.688) 5.251 27.740 ( -0.561 -2.488 -5.021) 5.632 27.932 ( -2.551 3.688 3.432) 5.647 28.037 ( -2.710 -4.446 2.545) 5.795 28.078 ( -0.648 0.268 -0.342) 0.780 28.116 ( -4.361 -4.577 1.401) 6.475 28.304 ( -2.848 2.692 10.551) 11.255 28.400 ( -6.797 -7.478 6.679) 12.113 28.902 ( 5.069 5.032 -8.871) 11.389 28.934 ( 2.053 0.832 -12.128) 12.328 29.011 ( 7.568 11.286 -0.881) 13.617 29.056 ( 7.227 10.213 -1.004) 12.551 29.178 ( 3.297 -4.004 0.998) 5.282 29.217 ( 2.790 -3.196 0.750) 4.308 29.348 ( -1.690 2.239 3.406) 4.412 29.403 ( -5.380 -3.124 3.772) 7.275 29.729 ( -1.539 2.059 -12.246) 12.513 29.766 ( -3.765 -1.389 -11.454) 12.137 30.118 ( 0.953 0.529 2.719) 2.930 30.145 ( -0.090 -1.896 3.819) 4.265 30.216 ( 0.641 2.571 -1.187) 2.904 30.272 ( -0.464 -2.626 -1.621) 3.121 30.505 ( -0.713 0.649 2.773) 2.936 30.512 ( -0.704 -0.082 2.557) 2.654 30.663 ( 2.908 2.537 -3.160) 4.987 30.712 ( 1.332 -2.001 -4.996) 5.545 31.429 ( -1.216 4.030 9.408) 10.306 31.563 ( -5.189 -7.800 6.506) 11.406 31.683 ( 1.076 3.979 0.957) 4.231 31.806 ( -3.655 -7.406 -0.972) 8.316 ======================= Grid point 52 (24/36) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -4.179 6.006 -9.229) 11.778 1.177 ( 4.179 6.006 -9.229) 11.778 1.299 ( -3.378 -4.683 -6.759) 8.889 1.299 ( 3.378 -4.683 -6.759) 8.889 1.362 ( -2.457 1.793 -0.296) 3.056 1.362 ( 2.457 1.793 -0.296) 3.056 1.399 ( -1.868 -1.943 -0.256) 2.707 1.399 ( 1.868 -1.943 -0.256) 2.707 1.557 ( -2.434 -1.214 -3.586) 4.501 1.557 ( 2.434 -1.215 -3.586) 4.501 1.622 ( -0.978 0.303 -1.170) 1.555 1.622 ( 0.978 0.303 -1.170) 1.555 1.805 ( -0.682 -0.961 -0.405) 1.246 1.805 ( 0.682 -0.961 -0.405) 1.246 1.864 ( -0.628 -1.185 -4.173) 4.383 1.864 ( 0.628 -1.185 -4.173) 4.383 1.960 ( -2.346 2.182 -2.653) 4.160 1.960 ( 2.346 2.182 -2.653) 4.160 2.045 ( -1.100 -3.625 -2.211) 4.386 2.045 ( 1.100 -3.625 -2.211) 4.386 2.132 ( -0.259 0.563 0.503) 0.798 2.132 ( 0.259 0.563 0.503) 0.798 2.259 ( -0.504 -2.151 0.159) 2.215 2.259 ( 0.504 -2.151 0.159) 2.215 2.448 ( -1.780 3.055 -8.718) 9.408 2.448 ( 1.780 3.055 -8.718) 9.408 2.512 ( -3.069 -2.713 -9.376) 10.232 2.512 ( 3.069 -2.713 -9.376) 10.232 2.828 ( -1.629 -2.721 -6.452) 7.190 2.828 ( 1.629 -2.721 -6.452) 7.190 3.059 ( -2.577 -2.712 -13.885) 14.380 3.059 ( 2.577 -2.712 -13.885) 14.380 3.507 ( -3.512 7.692 21.181) 22.807 3.507 ( 3.512 7.692 21.181) 22.807 3.706 ( -3.832 -3.246 9.599) 10.833 3.706 ( 3.832 -3.246 9.599) 10.833 4.016 ( -3.683 1.057 10.134) 10.834 4.016 ( 3.683 1.057 10.134) 10.834 4.292 ( -3.514 -0.488 -2.064) 4.105 4.292 ( 3.514 -0.488 -2.064) 4.105 4.525 ( -8.657 8.049 -2.263) 12.035 4.525 ( 8.657 8.049 -2.263) 12.035 4.686 ( -8.432 -5.545 -3.164) 10.576 4.686 ( 8.432 -5.545 -3.164) 10.576 5.054 ( -6.399 6.260 8.344) 12.238 5.054 ( 6.399 6.260 8.344) 12.238 5.105 ( -4.480 3.927 9.033) 10.821 5.105 ( 4.480 3.927 9.033) 10.821 5.336 ( -3.396 1.738 2.358) 4.485 5.336 ( 3.396 1.738 2.358) 4.485 5.542 ( -2.678 -7.729 8.066) 11.488 5.542 ( 2.678 -7.729 8.066) 11.488 5.760 ( -3.476 4.878 -4.319) 7.385 5.760 ( 3.476 4.878 -4.319) 7.385 5.858 ( -2.765 -3.751 -0.737) 4.718 5.858 ( 2.765 -3.751 -0.737) 4.718 6.048 ( -1.476 1.310 2.260) 3.000 6.048 ( 1.476 1.310 2.260) 3.000 6.165 ( -3.111 -2.611 -0.407) 4.082 6.165 ( 3.111 -2.611 -0.407) 4.082 6.317 ( -1.484 2.083 4.715) 5.364 6.317 ( 1.484 2.083 4.715) 5.364 6.489 ( -1.713 -2.233 -0.339) 2.835 6.489 ( 1.713 -2.233 -0.339) 2.835 6.757 ( -2.500 2.929 -4.896) 6.229 6.757 ( 2.500 2.929 -4.896) 6.229 7.041 ( -1.013 -2.659 -9.761) 10.168 7.041 ( 1.013 -2.659 -9.761) 10.168 7.382 ( -1.696 2.490 -0.297) 3.028 7.382 ( 1.696 2.490 -0.297) 3.028 7.450 ( -1.516 -2.614 -1.208) 3.254 7.450 ( 1.516 -2.614 -1.208) 3.254 8.093 ( -2.940 2.304 3.929) 5.421 8.093 ( 2.940 2.304 3.929) 5.421 8.356 ( -1.721 -1.505 6.486) 6.877 8.356 ( 1.721 -1.505 6.486) 6.877 8.679 ( -0.953 -1.766 3.045) 3.647 8.679 ( 0.953 -1.766 3.045) 3.647 8.763 ( -1.623 -0.006 -10.039) 10.170 8.763 ( 1.623 -0.006 -10.039) 10.170 9.062 ( -2.330 2.449 0.365) 3.400 9.062 ( 2.330 2.449 0.365) 3.400 9.195 ( -1.777 -1.104 -7.631) 7.912 9.195 ( 1.777 -1.104 -7.631) 7.912 9.446 ( -1.176 -0.530 -2.695) 2.987 9.446 ( 1.176 -0.530 -2.695) 2.987 9.516 ( -1.515 -0.593 -1.802) 2.428 9.516 ( 1.515 -0.593 -1.802) 2.428 9.766 ( -1.981 -1.370 3.157) 3.971 9.766 ( 1.981 -1.370 3.157) 3.971 9.975 ( -1.026 -0.609 -2.786) 3.031 9.975 ( 1.026 -0.609 -2.786) 3.031 10.067 ( -1.017 -2.018 3.874) 4.485 10.067 ( 1.017 -2.018 3.874) 4.485 10.167 ( -1.027 0.184 -0.037) 1.045 10.167 ( 1.028 0.184 -0.037) 1.045 10.525 ( -0.424 0.419 8.689) 8.710 10.525 ( 0.424 0.419 8.689) 8.710 11.150 ( -1.340 -0.522 -20.063) 20.114 11.150 ( 1.340 -0.522 -20.063) 20.114 12.303 ( -2.214 0.951 20.561) 20.702 12.303 ( 2.214 0.951 20.561) 20.702 12.835 ( -1.640 0.448 -5.000) 5.281 12.835 ( 1.640 0.448 -5.000) 5.281 13.452 ( -1.763 3.486 1.705) 4.262 13.452 ( 1.763 3.486 1.705) 4.262 13.588 ( -1.048 -2.969 0.414) 3.176 13.588 ( 1.048 -2.969 0.414) 3.176 14.032 ( -2.554 1.593 6.535) 7.195 14.032 ( 2.554 1.593 6.535) 7.195 14.085 ( -1.821 -0.731 3.785) 4.263 14.085 ( 1.821 -0.731 3.785) 4.263 14.396 ( -1.004 -0.044 0.122) 1.013 14.396 ( 1.004 -0.044 0.122) 1.013 14.503 ( -0.895 1.512 -1.258) 2.161 14.503 ( 0.895 1.512 -1.258) 2.161 14.665 ( -2.065 1.035 1.676) 2.854 14.665 ( 2.065 1.035 1.676) 2.854 14.776 ( -4.134 -4.129 -5.574) 8.076 14.776 ( 4.134 -4.129 -5.574) 8.076 14.860 ( -1.334 0.468 -9.026) 9.136 14.860 ( 1.334 0.468 -9.026) 9.136 15.008 ( -0.448 -0.994 -7.843) 7.919 15.008 ( 0.448 -0.994 -7.843) 7.919 15.351 ( -0.916 1.721 6.551) 6.835 15.351 ( 0.916 1.721 6.551) 6.835 15.396 ( -1.013 -2.304 7.536) 7.946 15.396 ( 1.013 -2.304 7.536) 7.946 15.839 ( -1.620 1.414 0.951) 2.351 15.839 ( 1.620 1.414 0.951) 2.351 16.093 ( -1.358 0.839 -8.705) 8.850 16.093 ( 1.358 0.839 -8.705) 8.850 19.452 ( -1.603 -0.780 1.487) 2.321 19.452 ( 1.603 -0.780 1.487) 2.321 19.513 ( -1.136 -1.381 -0.573) 1.878 19.513 ( 1.136 -1.381 -0.573) 1.878 20.194 ( -0.433 0.519 5.618) 5.659 20.194 ( 0.433 0.519 5.618) 5.659 20.647 ( -0.459 0.247 -15.618) 15.627 20.647 ( 0.459 0.247 -15.618) 15.627 21.536 ( -0.822 -0.008 21.150) 21.166 21.536 ( 0.822 -0.008 21.150) 21.166 22.230 ( -0.816 0.245 -9.322) 9.361 22.230 ( 0.816 0.245 -9.322) 9.361 26.489 ( -1.773 0.278 7.905) 8.106 26.489 ( 1.773 0.278 7.905) 8.106 27.000 ( -2.218 0.612 -12.947) 13.150 27.000 ( 2.218 0.612 -12.947) 13.150 27.550 ( -4.301 2.196 4.877) 6.864 27.550 ( 4.301 2.196 4.877) 6.864 27.719 ( -1.041 -1.759 -2.212) 3.012 27.719 ( 1.041 -1.759 -2.212) 3.012 27.942 ( -3.739 -4.361 3.764) 6.868 27.942 ( 3.739 -4.361 3.764) 6.868 28.079 ( -0.657 -0.794 -0.774) 1.289 28.079 ( 0.657 -0.794 -0.774) 1.289 28.298 ( -2.559 -2.538 10.248) 10.863 28.298 ( 2.559 -2.538 10.248) 10.863 28.951 ( -0.573 0.738 -12.616) 12.650 28.951 ( 0.573 0.738 -12.616) 12.650 29.158 ( -5.830 7.494 1.338) 9.589 29.158 ( 5.830 7.494 1.338) 9.589 29.199 ( -3.944 5.638 0.897) 6.939 29.199 ( 3.944 5.638 0.897) 6.939 29.332 ( -0.943 -0.068 2.929) 3.078 29.332 ( 0.943 -0.068 2.929) 3.078 29.717 ( -0.704 -0.024 -12.951) 12.970 29.717 ( 0.704 -0.024 -12.951) 12.970 30.137 ( -0.725 -1.347 2.996) 3.364 30.137 ( 0.725 -1.347 2.996) 3.364 30.243 ( -1.817 -1.315 -1.527) 2.713 30.243 ( 1.817 -1.315 -1.527) 2.713 30.499 ( -0.334 0.146 2.816) 2.840 30.499 ( 0.334 0.146 2.816) 2.840 30.711 ( -1.386 0.873 -5.044) 5.303 30.711 ( 1.386 0.873 -5.044) 5.303 31.456 ( -3.664 -4.022 10.809) 12.101 31.456 ( 3.664 -4.022 10.809) 12.101 31.738 ( -3.062 -1.383 -1.153) 3.552 31.738 ( 3.062 -1.383 -1.153) 3.552 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.000 0.000 -5.538) 5.538 0.801 ( 0.000 0.000 5.538) 5.538 1.064 ( 0.000 0.000 -16.465) 16.465 1.064 ( 0.000 0.000 16.465) 16.465 1.134 ( 0.000 0.000 -4.340) 4.340 1.134 ( 0.000 0.000 4.340) 4.340 1.469 ( 0.000 0.000 -0.056) 0.056 1.469 ( 0.000 0.000 0.056) 0.056 1.505 ( 0.000 0.000 -0.984) 0.984 1.505 ( 0.000 0.000 0.984) 0.984 1.572 ( 0.000 0.000 -1.522) 1.522 1.572 ( 0.000 0.000 1.522) 1.522 1.588 ( 0.000 0.000 -2.018) 2.018 1.588 ( 0.000 0.000 2.018) 2.018 1.677 ( 0.000 0.000 -0.225) 0.225 1.677 ( 0.000 0.000 0.225) 0.225 1.933 ( 0.000 0.000 -3.011) 3.011 1.933 ( 0.000 0.000 3.011) 3.011 2.022 ( 0.000 0.000 -14.399) 14.399 2.022 ( 0.000 0.000 14.399) 14.399 2.058 ( 0.000 0.000 -3.154) 3.154 2.058 ( 0.000 0.000 3.154) 3.154 2.239 ( 0.000 0.000 -15.705) 15.705 2.239 ( 0.000 0.000 15.705) 15.705 2.326 ( 0.000 0.000 -2.004) 2.004 2.326 ( 0.000 0.000 2.004) 2.004 2.402 ( 0.000 0.000 -2.529) 2.529 2.402 ( 0.000 0.000 2.529) 2.529 2.555 ( 0.000 0.000 -2.139) 2.139 2.555 ( 0.000 0.000 2.139) 2.139 2.859 ( 0.000 0.000 -1.371) 1.371 2.859 ( 0.000 0.000 1.371) 1.371 3.186 ( 0.000 0.000 -25.794) 25.794 3.186 ( 0.000 0.000 25.794) 25.794 3.450 ( 0.000 0.000 -5.817) 5.817 3.450 ( 0.000 0.000 5.817) 5.817 3.633 ( 0.000 0.000 -0.580) 0.580 3.633 ( 0.000 0.000 0.580) 0.580 4.012 ( 0.000 0.000 -17.153) 17.153 4.012 ( 0.000 0.000 17.153) 17.153 4.174 ( 0.000 0.000 -2.278) 2.278 4.174 ( 0.000 0.000 2.278) 2.278 4.563 ( 0.000 0.000 -15.307) 15.307 4.563 ( 0.000 0.000 15.307) 15.307 4.631 ( 0.000 0.000 -3.366) 3.366 4.631 ( 0.000 0.000 3.366) 3.366 5.130 ( 0.000 0.000 -6.064) 6.064 5.130 ( 0.000 0.000 6.064) 6.064 5.290 ( 0.000 0.000 -6.874) 6.874 5.290 ( 0.000 0.000 6.874) 6.874 5.481 ( 0.000 0.000 -3.061) 3.061 5.481 ( 0.000 0.000 3.061) 3.061 5.877 ( 0.000 0.000 -1.650) 1.650 5.877 ( 0.000 0.000 1.650) 1.650 5.959 ( 0.000 0.000 -3.720) 3.720 5.959 ( 0.000 0.000 3.720) 3.720 5.968 ( 0.000 0.000 -1.579) 1.579 5.968 ( 0.000 0.000 1.579) 1.579 6.209 ( 0.000 0.000 -2.899) 2.899 6.209 ( 0.000 0.000 2.899) 2.899 6.285 ( 0.000 0.000 -0.355) 0.355 6.285 ( 0.000 0.000 0.355) 0.355 6.571 ( 0.000 0.000 -0.640) 0.640 6.571 ( 0.000 0.000 0.640) 0.640 6.895 ( 0.000 0.000 -3.941) 3.941 6.895 ( 0.000 0.000 3.941) 3.941 7.286 ( 0.000 0.000 -2.939) 2.939 7.286 ( 0.000 0.000 2.939) 2.939 7.847 ( 0.000 0.000 -16.242) 16.242 7.847 ( 0.000 0.000 16.242) 16.242 7.972 ( 0.000 0.000 -1.328) 1.328 7.972 ( 0.000 0.000 1.328) 1.328 8.141 ( 0.000 0.000 -3.858) 3.858 8.141 ( 0.000 0.000 3.858) 3.858 8.578 ( 0.000 0.000 -2.546) 2.546 8.578 ( 0.000 0.000 2.546) 2.546 8.655 ( 0.000 0.000 -0.707) 0.707 8.655 ( 0.000 0.000 0.707) 0.707 8.732 ( 0.000 0.000 -2.075) 2.075 8.732 ( 0.000 0.000 2.075) 2.075 8.989 ( 0.000 0.000 -3.338) 3.338 8.989 ( 0.000 0.000 3.338) 3.338 9.256 ( 0.000 0.000 -8.648) 8.648 9.256 ( 0.000 0.000 8.648) 8.648 9.425 ( 0.000 0.000 -1.980) 1.980 9.425 ( 0.000 0.000 1.980) 1.980 9.602 ( 0.000 0.000 -4.580) 4.580 9.602 ( 0.000 0.000 4.580) 4.580 9.687 ( 0.000 0.000 -1.151) 1.151 9.687 ( 0.000 0.000 1.151) 1.151 9.825 ( 0.000 0.000 -1.366) 1.366 9.825 ( 0.000 0.000 1.366) 1.366 9.936 ( 0.000 0.000 -2.601) 2.601 9.936 ( 0.000 0.000 2.601) 2.601 10.087 ( 0.000 0.000 -1.433) 1.433 10.087 ( 0.000 0.000 1.433) 1.433 10.791 ( 0.000 0.000 -12.792) 12.792 10.791 ( 0.000 0.000 12.792) 12.792 11.138 ( 0.000 0.000 -9.853) 9.853 11.138 ( 0.000 0.000 9.853) 9.853 12.516 ( 0.000 0.000 -20.834) 20.834 12.516 ( 0.000 0.000 20.834) 20.834 12.868 ( 0.000 0.000 -18.909) 18.909 12.868 ( 0.000 0.000 18.909) 18.909 13.395 ( 0.000 0.000 -0.644) 0.644 13.395 ( 0.000 0.000 0.644) 0.644 13.720 ( 0.000 0.000 -5.871) 5.871 13.720 ( 0.000 0.000 5.871) 5.871 13.825 ( 0.000 0.000 -5.149) 5.149 13.825 ( 0.000 0.000 5.149) 5.149 13.955 ( 0.000 0.000 -2.598) 2.598 13.955 ( 0.000 0.000 2.598) 2.598 14.438 ( 0.000 0.000 -4.298) 4.298 14.438 ( 0.000 0.000 4.298) 4.298 14.475 ( 0.000 0.000 -1.368) 1.368 14.475 ( 0.000 0.000 1.368) 1.368 14.719 ( 0.000 0.000 -0.647) 0.647 14.719 ( 0.000 0.000 0.647) 0.647 14.782 ( 0.000 0.000 -7.461) 7.461 14.782 ( 0.000 0.000 7.461) 7.461 14.857 ( 0.000 0.000 -6.300) 6.300 14.857 ( 0.000 0.000 6.300) 6.300 15.073 ( 0.000 0.000 -0.550) 0.550 15.073 ( 0.000 0.000 0.550) 0.550 15.390 ( 0.000 0.000 -4.160) 4.160 15.390 ( 0.000 0.000 4.160) 4.160 15.515 ( 0.000 0.000 -2.040) 2.040 15.515 ( 0.000 0.000 2.040) 2.040 15.640 ( 0.000 0.000 -1.895) 1.895 15.640 ( 0.000 0.000 1.895) 1.895 15.954 ( 0.000 0.000 -5.795) 5.795 15.954 ( 0.000 0.000 5.795) 5.795 19.391 ( 0.000 0.000 -3.107) 3.107 19.391 ( 0.000 0.000 3.107) 3.107 19.743 ( 0.000 0.000 -0.095) 0.095 19.743 ( 0.000 0.000 0.095) 0.095 20.260 ( 0.000 0.000 -15.143) 15.143 20.260 ( 0.000 0.000 15.143) 15.143 20.380 ( 0.000 0.000 -13.959) 13.959 20.380 ( 0.000 0.000 13.959) 13.959 21.836 ( 0.000 0.000 -16.090) 16.090 21.836 ( 0.000 0.000 16.090) 16.090 22.107 ( 0.000 0.000 -16.606) 16.606 22.107 ( 0.000 0.000 16.606) 16.606 26.541 ( 0.000 0.000 -2.317) 2.317 26.541 ( 0.000 0.000 2.317) 2.317 27.012 ( 0.000 0.000 -3.153) 3.153 27.012 ( 0.000 0.000 3.153) 3.153 27.277 ( 0.000 0.000 -7.865) 7.865 27.277 ( 0.000 0.000 7.865) 7.865 27.676 ( 0.000 0.000 -5.874) 5.874 27.676 ( 0.000 0.000 5.874) 5.874 27.925 ( 0.000 0.000 -2.683) 2.683 27.925 ( 0.000 0.000 2.683) 2.683 28.160 ( 0.000 0.000 -6.019) 6.019 28.160 ( 0.000 0.000 6.019) 6.019 28.355 ( 0.000 0.000 -6.421) 6.421 28.355 ( 0.000 0.000 6.421) 6.421 28.639 ( 0.000 0.000 -14.539) 14.539 28.639 ( 0.000 0.000 14.539) 14.539 29.150 ( 0.000 0.000 -0.031) 0.031 29.150 ( 0.000 0.000 0.031) 0.031 29.203 ( 0.000 0.000 -1.502) 1.502 29.203 ( 0.000 0.000 1.502) 1.502 29.414 ( 0.000 0.000 -8.918) 8.918 29.414 ( 0.000 0.000 8.918) 8.918 29.970 ( 0.000 0.000 -1.836) 1.836 29.970 ( 0.000 0.000 1.836) 1.836 30.000 ( 0.000 0.000 -0.476) 0.476 30.000 ( 0.000 0.000 0.476) 0.476 30.258 ( 0.000 0.000 -0.010) 0.010 30.258 ( 0.000 0.000 0.010) 0.010 30.471 ( 0.000 0.000 -0.463) 0.463 30.471 ( 0.000 0.000 0.463) 0.463 30.666 ( 0.000 0.000 -3.641) 3.641 30.666 ( 0.000 0.000 3.641) 3.641 31.155 ( 0.000 0.000 -0.495) 0.495 31.155 ( 0.000 0.000 0.495) 0.495 32.143 ( 0.000 0.000 -3.215) 3.215 32.143 ( 0.000 0.000 3.215) 3.215 ======================= Grid point 72 (26/36) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 14.644 0.000 -5.489) 15.639 1.046 ( 14.644 0.000 5.489) 15.639 1.163 ( 7.731 0.000 -9.398) 12.169 1.163 ( 7.731 0.000 9.398) 12.169 1.355 ( 4.043 0.000 -4.572) 6.104 1.355 ( 4.043 0.000 4.572) 6.104 1.414 ( -0.792 0.000 -2.624) 2.741 1.414 ( -0.792 0.000 2.624) 2.741 1.530 ( 1.986 0.000 -2.663) 3.322 1.530 ( 1.986 0.000 2.663) 3.322 1.582 ( 1.121 0.000 -0.994) 1.498 1.582 ( 1.121 0.000 0.994) 1.498 1.689 ( 11.161 0.000 -0.941) 11.200 1.689 ( 11.161 0.000 0.941) 11.200 1.758 ( 6.087 0.000 -4.332) 7.472 1.758 ( 6.087 0.000 4.332) 7.472 1.914 ( 0.140 0.000 -7.913) 7.914 1.914 ( 0.140 0.000 7.913) 7.914 2.018 ( 2.596 0.000 -6.028) 6.563 2.018 ( 2.596 0.000 6.028) 6.563 2.117 ( 2.501 0.000 -4.248) 4.930 2.117 ( 2.501 0.000 4.248) 4.930 2.244 ( -0.161 0.000 -12.271) 12.272 2.244 ( -0.161 0.000 12.271) 12.272 2.324 ( 1.255 0.000 -0.990) 1.599 2.324 ( 1.255 0.000 0.990) 1.599 2.464 ( 6.096 0.000 -0.613) 6.127 2.464 ( 6.096 0.000 0.613) 6.127 2.678 ( 8.921 0.000 -10.345) 13.661 2.678 ( 8.921 0.000 10.345) 13.661 2.952 ( -3.672 0.000 -4.720) 5.981 2.952 ( -3.672 0.000 4.720) 5.981 3.247 ( 20.110 0.000 -4.734) 20.659 3.247 ( 20.110 0.000 4.734) 20.659 3.334 ( -5.104 0.000 -20.255) 20.888 3.334 ( -5.104 0.000 20.255) 20.888 3.749 ( 2.069 0.000 -5.764) 6.124 3.749 ( 2.069 0.000 5.764) 6.124 3.943 ( 3.622 0.000 -30.011) 30.228 3.943 ( 3.622 0.000 30.011) 30.228 4.299 ( 2.462 0.000 -4.987) 5.561 4.299 ( 2.462 0.000 4.987) 5.561 4.533 ( 0.319 0.000 -14.351) 14.355 4.533 ( 0.319 0.000 14.351) 14.355 4.764 ( 10.937 0.000 -14.532) 18.187 4.764 ( 10.937 0.000 14.532) 18.187 5.119 ( -6.728 0.000 -8.485) 10.829 5.119 ( -6.728 0.000 8.485) 10.829 5.261 ( 3.795 0.000 -5.355) 6.563 5.261 ( 3.795 0.000 5.355) 6.563 5.564 ( 7.170 0.000 -3.069) 7.800 5.564 ( 7.170 0.000 3.069) 7.800 5.834 ( -3.105 0.000 -3.649) 4.792 5.834 ( -3.105 0.000 3.649) 4.792 5.897 ( -4.604 0.000 -5.479) 7.156 5.897 ( -4.604 0.000 5.479) 7.156 6.009 ( 2.211 0.000 -2.317) 3.203 6.009 ( 2.211 0.000 2.317) 3.203 6.195 ( -0.492 0.000 -4.472) 4.499 6.195 ( -0.492 0.000 4.472) 4.499 6.258 ( -2.120 0.000 -1.386) 2.533 6.258 ( -2.120 0.000 1.386) 2.533 6.558 ( -1.836 0.000 -3.692) 4.123 6.558 ( -1.836 0.000 3.692) 4.123 6.869 ( -1.750 0.000 -4.755) 5.066 6.869 ( -1.750 0.000 4.755) 5.066 7.250 ( -3.671 0.000 -1.875) 4.123 7.250 ( -3.671 0.000 1.875) 4.123 7.813 ( -9.304 0.000 -9.872) 13.565 7.813 ( -9.304 0.000 9.872) 13.565 7.940 ( -2.826 0.000 -5.161) 5.884 7.940 ( -2.826 0.000 5.161) 5.884 8.061 ( -2.919 0.000 -5.565) 6.284 8.061 ( -2.919 0.000 5.565) 6.284 8.513 ( -3.900 0.000 -4.730) 6.130 8.513 ( -3.900 0.000 4.730) 6.130 8.626 ( -4.165 0.000 -0.930) 4.268 8.626 ( -4.165 0.000 0.930) 4.268 8.754 ( 2.131 0.000 -4.164) 4.678 8.754 ( 2.131 0.000 4.164) 4.678 9.017 ( 1.042 0.000 -2.793) 2.981 9.017 ( 1.042 0.000 2.793) 2.981 9.200 ( -3.184 0.000 -9.330) 9.858 9.200 ( -3.184 0.000 9.330) 9.858 9.458 ( 2.188 0.000 -2.206) 3.107 9.458 ( 2.188 0.000 2.206) 3.107 9.555 ( -3.225 0.000 -5.094) 6.029 9.555 ( -3.225 0.000 5.094) 6.029 9.715 ( 2.281 0.000 -4.705) 5.229 9.715 ( 2.281 0.000 4.705) 5.229 9.854 ( 3.792 0.000 -2.105) 4.337 9.854 ( 3.792 0.000 2.105) 4.337 10.015 ( 5.323 0.000 -1.293) 5.478 10.015 ( 5.323 0.000 1.293) 5.478 10.106 ( 1.750 0.000 -2.216) 2.824 10.106 ( 1.750 0.000 2.216) 2.824 10.778 ( -1.085 0.000 -12.841) 12.887 10.778 ( -1.085 0.000 12.841) 12.887 11.044 ( -7.627 0.000 -13.566) 15.563 11.044 ( -7.627 0.000 13.566) 15.563 12.484 ( -1.976 0.000 -18.354) 18.460 12.484 ( -1.976 0.000 18.354) 18.460 12.855 ( -1.770 0.000 -16.802) 16.895 12.855 ( -1.770 0.000 16.802) 16.895 13.381 ( -1.101 0.000 -3.672) 3.834 13.381 ( -1.101 0.000 3.672) 3.834 13.721 ( -0.265 0.000 -3.909) 3.918 13.721 ( -0.265 0.000 3.909) 3.918 13.890 ( 6.230 0.000 -2.918) 6.880 13.890 ( 6.230 0.000 2.918) 6.880 14.020 ( 4.869 0.000 -6.845) 8.400 14.020 ( 4.869 0.000 6.845) 8.400 14.428 ( -1.188 0.000 -3.427) 3.627 14.428 ( -1.188 0.000 3.427) 3.627 14.467 ( -0.780 0.000 -3.180) 3.274 14.467 ( -0.780 0.000 3.180) 3.274 14.703 ( -1.977 0.000 -5.855) 6.179 14.703 ( -1.977 0.000 5.855) 6.179 14.806 ( 2.548 0.000 -3.280) 4.154 14.806 ( 2.548 0.000 3.280) 4.154 14.857 ( -0.009 0.000 -6.029) 6.029 14.857 ( -0.009 0.000 6.029) 6.029 15.009 ( -5.409 0.000 -6.289) 8.295 15.009 ( -5.409 0.000 6.289) 8.295 15.395 ( -0.552 0.000 -4.564) 4.597 15.395 ( -0.552 0.000 4.564) 4.597 15.537 ( 1.007 0.000 -2.578) 2.768 15.537 ( 1.007 0.000 2.578) 2.768 15.632 ( 1.971 0.000 -2.336) 3.056 15.632 ( 1.971 0.000 2.336) 3.056 15.957 ( 0.365 0.000 -10.301) 10.308 15.957 ( 0.365 0.000 10.301) 10.308 19.425 ( 2.468 0.000 -3.672) 4.424 19.425 ( 2.468 0.000 3.672) 4.424 19.715 ( -2.622 0.000 -0.458) 2.662 19.715 ( -2.622 0.000 0.458) 2.662 20.271 ( 0.858 0.000 -13.546) 13.573 20.271 ( 0.858 0.000 13.546) 13.573 20.379 ( 0.017 0.000 -12.014) 12.014 20.379 ( 0.017 0.000 12.014) 12.014 21.850 ( 1.249 0.000 -16.098) 16.146 21.850 ( 1.249 0.000 16.098) 16.146 22.078 ( -2.615 0.000 -16.579) 16.784 22.078 ( -2.615 0.000 16.579) 16.784 26.534 ( 0.318 0.000 -6.588) 6.595 26.534 ( 0.318 0.000 6.588) 6.595 26.960 ( -4.757 0.000 -7.241) 8.663 26.960 ( -4.757 0.000 7.241) 8.663 27.371 ( 7.451 0.000 -11.402) 13.621 27.371 ( 7.451 0.000 11.402) 13.621 27.734 ( 3.475 0.000 -4.172) 5.429 27.734 ( 3.475 0.000 4.172) 5.429 27.937 ( 2.771 0.000 -3.126) 4.177 27.937 ( 2.771 0.000 3.126) 4.177 28.222 ( 4.755 0.000 -6.544) 8.089 28.222 ( 4.755 0.000 6.544) 8.089 28.377 ( 2.304 0.000 -5.511) 5.974 28.377 ( 2.304 0.000 5.511) 5.974 28.646 ( 0.743 0.000 -14.544) 14.562 28.646 ( 0.743 0.000 14.544) 14.562 29.076 ( -10.636 0.000 -1.342) 10.720 29.076 ( -10.636 0.000 1.342) 10.720 29.094 ( -5.467 0.000 -0.023) 5.467 29.094 ( -5.467 0.000 0.023) 5.467 29.414 ( 0.340 0.000 -9.089) 9.095 29.414 ( 0.340 0.000 9.089) 9.095 29.787 ( -9.836 0.000 -4.485) 10.810 29.787 ( -9.836 0.000 4.485) 10.810 30.087 ( 4.105 0.000 -0.490) 4.134 30.087 ( 4.105 0.000 0.490) 4.134 30.267 ( 0.758 0.000 -1.928) 2.071 30.267 ( 0.758 0.000 1.928) 2.071 30.510 ( 2.455 0.000 -1.626) 2.945 30.510 ( 2.455 0.000 1.626) 2.945 30.643 ( -1.424 0.000 -5.168) 5.361 30.643 ( -1.424 0.000 5.168) 5.361 31.321 ( 12.152 0.000 -3.855) 12.748 31.321 ( 12.152 0.000 3.855) 12.748 32.079 ( -5.730 0.000 -3.647) 6.792 32.079 ( -5.730 0.000 3.647) 6.792 ======================= Grid point 74 (27/36) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.462 0.000 -2.512) 3.518 1.232 ( 2.462 0.000 2.512) 3.518 1.278 ( 3.641 0.000 -0.638) 3.696 1.278 ( 3.641 0.000 0.638) 3.696 1.343 ( 3.294 0.000 -2.733) 4.280 1.343 ( 3.294 0.000 2.733) 4.280 1.428 ( -0.115 0.000 -1.302) 1.308 1.428 ( -0.115 0.000 1.303) 1.308 1.551 ( -0.166 0.000 -2.222) 2.228 1.551 ( -0.166 0.000 2.222) 2.228 1.594 ( -0.994 0.000 -2.743) 2.917 1.594 ( -0.994 0.000 2.743) 2.917 1.825 ( 2.551 0.000 -4.426) 5.108 1.825 ( 2.551 0.000 4.426) 5.108 1.883 ( 2.216 0.000 -1.059) 2.456 1.883 ( 2.216 0.000 1.059) 2.456 1.964 ( 1.459 0.000 -0.805) 1.666 1.964 ( 1.459 0.000 0.805) 1.666 2.079 ( 0.291 0.000 -3.058) 3.072 2.079 ( 0.291 0.000 3.058) 3.072 2.158 ( 3.262 0.000 -5.797) 6.652 2.158 ( 3.262 0.000 5.797) 6.652 2.244 ( 1.038 0.000 -2.504) 2.711 2.244 ( 1.038 0.000 2.504) 2.711 2.386 ( 3.165 0.000 -5.435) 6.289 2.386 ( 3.165 0.000 5.435) 6.289 2.640 ( 0.548 0.000 -4.276) 4.311 2.640 ( 0.548 0.000 4.276) 4.311 2.684 ( 5.779 0.000 -8.712) 10.454 2.684 ( 5.779 0.000 8.712) 10.454 3.056 ( 12.197 0.000 -16.881) 20.827 3.056 ( 12.197 0.000 16.881) 20.827 3.233 ( -5.497 0.000 -5.267) 7.613 3.233 ( -5.497 0.000 5.267) 7.613 3.632 ( 1.904 0.000 -16.385) 16.495 3.632 ( 1.904 0.000 16.385) 16.495 3.879 ( 18.614 0.000 -7.573) 20.095 3.879 ( 18.614 0.000 7.573) 20.095 4.188 ( 4.264 0.000 -13.864) 14.505 4.188 ( 4.264 0.000 13.864) 14.505 4.285 ( 7.591 0.000 -2.697) 8.056 4.285 ( 7.591 0.000 2.697) 8.056 4.551 ( 3.681 0.000 -8.279) 9.061 4.551 ( 3.681 0.000 8.279) 9.061 4.854 ( -4.267 0.000 -8.193) 9.237 4.854 ( -4.267 0.000 8.193) 9.237 5.100 ( 7.746 0.000 -10.054) 12.692 5.100 ( 7.746 0.000 10.054) 12.692 5.395 ( 5.820 0.000 -17.249) 18.204 5.395 ( 5.820 0.000 17.249) 18.204 5.667 ( -3.423 0.000 -7.231) 8.000 5.667 ( -3.423 0.000 7.231) 8.000 5.803 ( 2.389 0.000 -1.888) 3.045 5.803 ( 2.389 0.000 1.888) 3.045 5.852 ( 4.449 0.000 -7.292) 8.542 5.852 ( 4.449 0.000 7.292) 8.542 6.035 ( -0.447 0.000 -1.627) 1.687 6.035 ( -0.447 0.000 1.627) 1.687 6.187 ( -0.434 0.000 -3.119) 3.149 6.187 ( -0.434 0.000 3.119) 3.149 6.236 ( 0.738 0.000 -3.394) 3.473 6.236 ( 0.738 0.000 3.394) 3.473 6.488 ( -4.222 0.000 -2.353) 4.833 6.488 ( -4.222 0.000 2.353) 4.833 6.851 ( -0.041 0.000 -6.706) 6.706 6.851 ( -0.041 0.000 6.706) 6.706 7.131 ( -7.078 0.000 -5.311) 8.850 7.131 ( -7.078 0.000 5.311) 8.850 7.523 ( -14.239 0.000 -3.307) 14.618 7.523 ( -14.239 0.000 3.307) 14.618 7.682 ( -16.270 0.000 -2.573) 16.472 7.682 ( -16.270 0.000 2.573) 16.472 8.171 ( 7.800 0.000 -15.481) 17.335 8.171 ( 7.800 0.000 15.481) 17.335 8.443 ( -3.997 0.000 -11.416) 12.096 8.443 ( -3.997 0.000 11.416) 12.096 8.535 ( -2.023 0.000 -3.692) 4.210 8.535 ( -2.023 0.000 3.692) 4.210 8.797 ( 1.627 0.000 -4.555) 4.836 8.797 ( 1.627 0.000 4.555) 4.836 8.963 ( -5.297 0.000 -2.959) 6.068 8.963 ( -5.297 0.000 2.959) 6.068 9.159 ( -1.474 0.000 -7.894) 8.030 9.159 ( -1.474 0.000 7.894) 8.030 9.484 ( -0.409 0.000 -0.720) 0.828 9.484 ( -0.409 0.000 0.720) 0.828 9.506 ( -0.850 0.000 -3.818) 3.912 9.506 ( -0.850 0.000 3.818) 3.912 9.825 ( 8.114 0.000 -7.569) 11.096 9.825 ( 8.114 0.000 7.569) 11.096 9.949 ( 4.062 0.000 -3.884) 5.620 9.949 ( 4.062 0.000 3.884) 5.620 10.091 ( 1.718 0.000 -4.136) 4.479 10.091 ( 1.718 0.000 4.136) 4.479 10.153 ( 1.948 0.000 -3.891) 4.351 10.153 ( 1.948 0.000 3.891) 4.351 10.754 ( -0.931 0.000 -12.388) 12.422 10.754 ( -0.931 0.000 12.388) 12.422 10.884 ( -6.612 0.000 -15.567) 16.913 10.884 ( -6.612 0.000 15.567) 16.913 12.482 ( 2.280 0.000 -13.752) 13.940 12.482 ( 2.280 0.000 13.752) 13.940 12.781 ( -5.160 0.000 -12.797) 13.799 12.781 ( -5.160 0.000 12.797) 13.799 13.358 ( -0.899 0.000 -3.861) 3.964 13.358 ( -0.899 0.000 3.861) 3.964 13.724 ( 0.634 0.000 -3.747) 3.801 13.724 ( 0.634 0.000 3.747) 3.801 14.030 ( 6.124 0.000 -2.285) 6.536 14.030 ( 6.124 0.000 2.285) 6.536 14.114 ( 3.332 0.000 -3.091) 4.545 14.114 ( 3.332 0.000 3.091) 4.545 14.389 ( -1.952 0.000 -2.171) 2.920 14.389 ( -1.952 0.000 2.171) 2.920 14.449 ( -1.046 0.000 -5.409) 5.509 14.449 ( -1.046 0.000 5.409) 5.509 14.661 ( -0.930 0.000 -7.076) 7.137 14.661 ( -0.930 0.000 7.076) 7.137 14.818 ( -3.449 0.000 -0.614) 3.503 14.818 ( -3.449 0.000 0.614) 3.503 14.866 ( 0.166 0.000 -7.548) 7.550 14.866 ( 0.166 0.000 7.548) 7.550 14.915 ( -0.844 0.000 -7.536) 7.583 14.915 ( -0.844 0.000 7.536) 7.583 15.367 ( -1.512 0.000 -3.270) 3.602 15.367 ( -1.512 0.000 3.270) 3.602 15.526 ( -0.927 0.000 -2.914) 3.058 15.526 ( -0.927 0.000 2.914) 3.058 15.759 ( 7.842 0.000 -8.326) 11.438 15.759 ( 7.842 0.000 8.326) 11.438 15.958 ( -0.826 0.000 -8.787) 8.826 15.958 ( -0.826 0.000 8.787) 8.826 19.473 ( 2.176 0.000 -2.932) 3.651 19.473 ( 2.176 0.000 2.932) 3.651 19.642 ( -3.920 0.000 -0.694) 3.981 19.642 ( -3.920 0.000 0.694) 3.981 20.288 ( 0.594 0.000 -7.842) 7.865 20.288 ( 0.594 0.000 7.842) 7.865 20.383 ( 0.316 0.000 -6.707) 6.715 20.383 ( 0.316 0.000 6.707) 6.715 21.886 ( 2.109 0.000 -15.932) 16.071 21.886 ( 2.109 0.000 15.932) 16.071 22.012 ( -3.359 0.000 -16.181) 16.526 22.012 ( -3.359 0.000 16.181) 16.526 26.578 ( 3.875 0.000 -10.122) 10.839 26.578 ( 3.875 0.000 10.122) 10.839 26.836 ( -6.607 0.000 -11.238) 13.036 26.836 ( -6.607 0.000 11.238) 13.036 27.523 ( 6.367 0.000 -9.976) 11.835 27.523 ( 6.367 0.000 9.976) 11.835 27.746 ( -1.764 0.000 -4.028) 4.397 27.746 ( -1.764 0.000 4.028) 4.397 28.074 ( 8.733 0.000 -1.639) 8.885 28.074 ( 8.733 0.000 1.639) 8.885 28.290 ( 0.517 0.000 -8.919) 8.934 28.290 ( 0.517 0.000 8.919) 8.934 28.477 ( 7.525 0.000 -1.381) 7.650 28.477 ( 7.525 0.000 1.381) 7.650 28.676 ( 2.342 0.000 -12.725) 12.938 28.676 ( 2.342 0.000 12.725) 12.938 28.836 ( -10.500 0.000 -3.433) 11.047 28.836 ( -10.500 0.000 3.433) 11.047 28.948 ( -8.393 0.000 -0.366) 8.400 28.948 ( -8.393 0.000 0.366) 8.400 29.434 ( 1.660 0.000 -8.945) 9.098 29.434 ( 1.660 0.000 8.945) 9.098 29.612 ( -6.936 0.000 -6.720) 9.658 29.612 ( -6.936 0.000 6.720) 9.658 30.179 ( 4.432 0.000 -0.449) 4.454 30.179 ( 4.432 0.000 0.449) 4.454 30.278 ( -0.055 0.000 -2.634) 2.635 30.278 ( -0.055 0.000 2.634) 2.635 30.553 ( 1.703 0.000 -3.324) 3.735 30.553 ( 1.703 0.000 3.324) 3.735 30.616 ( -1.294 0.000 -6.432) 6.561 30.616 ( -1.294 0.000 6.432) 6.561 31.561 ( 10.224 0.000 -4.028) 10.989 31.561 ( 10.224 0.000 4.028) 10.989 31.929 ( -8.004 0.000 -4.231) 9.054 31.929 ( -8.004 0.000 4.231) 9.054 ======================= Grid point 76 (28/36) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 -0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 -0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.474 ( -0.000 0.000 -0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 -0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 -0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 -0.000) 0.000 2.244 ( 0.000 0.000 -0.000) 0.000 2.404 ( 0.000 0.000 -0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.974 ( -0.000 0.000 -0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.014 ( -0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.234 ( -0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 -0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 -0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 -0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.938 ( -0.000 0.000 -0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.476 ( -0.000 0.000 -0.000) 0.000 5.476 ( 0.000 0.000 -0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.876 ( -0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 -0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 -0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 -0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 -0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.857 ( -0.000 0.000 -0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 8.286 ( -0.000 0.000 -0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 -0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 -0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.950 ( -0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 -0.000) 0.000 9.987 ( 0.000 0.000 -0.000) 0.000 10.113 ( -0.000 0.000 -0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 -0.000) 0.000 10.745 ( 0.000 0.000 -0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 -0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 14.118 ( -0.000 0.000 -0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.130 ( -0.000 0.000 0.000) 0.000 14.371 ( 0.000 0.000 0.000) 0.000 14.371 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 -0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.672 ( 0.000 0.000 -0.000) 0.000 14.672 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.862 ( 0.000 0.000 -0.000) 0.000 14.862 ( 0.000 0.000 -0.000) 0.000 14.925 ( 0.000 0.000 0.000) 0.000 14.925 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.516 ( 0.000 0.000 0.000) 0.000 15.516 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 0.000 -0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 15.909 ( -0.000 0.000 -0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 19.508 ( 0.000 0.000 -0.000) 0.000 19.508 ( 0.000 0.000 0.000) 0.000 19.584 ( 0.000 0.000 0.000) 0.000 19.584 ( 0.000 0.000 0.000) 0.000 20.294 ( 0.000 0.000 0.000) 0.000 20.294 ( 0.000 0.000 0.000) 0.000 20.387 ( 0.000 0.000 -0.000) 0.000 20.387 ( 0.000 0.000 0.000) 0.000 21.925 ( 0.000 0.000 -0.000) 0.000 21.925 ( -0.000 0.000 0.000) 0.000 21.958 ( -0.000 0.000 -0.000) 0.000 21.958 ( 0.000 0.000 0.000) 0.000 26.662 ( 0.000 0.000 -0.000) 0.000 26.662 ( 0.000 0.000 0.000) 0.000 26.723 ( 0.000 0.000 -0.000) 0.000 26.723 ( 0.000 0.000 0.000) 0.000 27.606 ( 0.000 0.000 -0.000) 0.000 27.606 ( 0.000 0.000 0.000) 0.000 27.710 ( -0.000 0.000 -0.000) 0.000 27.710 ( 0.000 0.000 0.000) 0.000 28.225 ( -0.000 0.000 0.000) 0.000 28.225 ( 0.000 0.000 0.000) 0.000 28.243 ( -0.000 0.000 -0.000) 0.000 28.243 ( 0.000 0.000 -0.000) 0.000 28.630 ( 0.000 0.000 -0.000) 0.000 28.630 ( 0.000 0.000 -0.000) 0.000 28.672 ( 0.000 0.000 0.000) 0.000 28.672 ( -0.000 0.000 0.000) 0.000 28.753 ( 0.000 0.000 -0.000) 0.000 28.753 ( 0.000 0.000 0.000) 0.000 28.788 ( -0.000 0.000 0.000) 0.000 28.788 ( 0.000 0.000 0.000) 0.000 29.477 ( -0.000 0.000 -0.000) 0.000 29.477 ( 0.000 0.000 -0.000) 0.000 29.512 ( 0.000 0.000 0.000) 0.000 29.512 ( 0.000 0.000 0.000) 0.000 30.251 ( -0.000 0.000 -0.000) 0.000 30.251 ( 0.000 0.000 0.000) 0.000 30.257 ( -0.000 0.000 -0.000) 0.000 30.257 ( 0.000 0.000 0.000) 0.000 30.585 ( 0.000 0.000 -0.000) 0.000 30.585 ( 0.000 0.000 0.000) 0.000 30.586 ( -0.000 0.000 -0.000) 0.000 30.586 ( -0.000 0.000 0.000) 0.000 31.733 ( -0.000 0.000 0.000) 0.000 31.733 ( 0.000 0.000 0.000) 0.000 31.777 ( -0.000 0.000 -0.000) 0.000 31.777 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 84 (29/36) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 9.877 -4.139) 10.709 0.919 ( 0.000 9.877 4.139) 10.709 1.109 ( 0.000 1.237 -6.002) 6.128 1.109 ( 0.000 1.237 6.002) 6.128 1.285 ( 0.000 9.994 -7.450) 12.466 1.285 ( 0.000 9.994 7.450) 12.466 1.429 ( 0.000 -0.896 -4.007) 4.106 1.429 ( 0.000 -0.896 4.007) 4.106 1.523 ( 0.000 0.245 -1.734) 1.752 1.523 ( 0.000 0.245 1.734) 1.752 1.570 ( 0.000 -1.620 -0.993) 1.900 1.570 ( 0.000 -1.620 0.993) 1.900 1.624 ( 0.000 4.009 -2.924) 4.962 1.624 ( 0.000 4.009 2.924) 4.962 1.748 ( 0.000 8.135 -3.255) 8.762 1.748 ( 0.000 8.135 3.255) 8.762 1.934 ( 0.000 0.300 -1.888) 1.911 1.934 ( 0.000 0.300 1.888) 1.911 2.029 ( 0.000 -0.352 -2.683) 2.706 2.029 ( 0.000 -0.352 2.683) 2.706 2.095 ( 0.000 4.063 -7.086) 8.168 2.095 ( 0.000 4.063 7.086) 8.168 2.252 ( 0.000 0.252 -16.278) 16.280 2.252 ( 0.000 0.252 16.278) 16.280 2.309 ( 0.000 -1.613 -6.036) 6.248 2.309 ( 0.000 -1.613 6.036) 6.248 2.395 ( 0.000 1.178 -3.746) 3.927 2.395 ( 0.000 1.178 3.746) 3.927 2.602 ( 0.000 4.559 -3.522) 5.761 2.602 ( 0.000 4.559 3.522) 5.761 2.955 ( 0.000 10.051 -2.992) 10.487 2.955 ( 0.000 10.051 2.992) 10.487 3.109 ( 0.000 -5.810 -19.739) 20.576 3.109 ( 0.000 -5.810 19.739) 20.576 3.406 ( 0.000 -0.773 -11.735) 11.761 3.406 ( 0.000 -0.773 11.735) 11.761 3.686 ( 0.000 2.191 -19.432) 19.555 3.686 ( 0.000 2.191 19.432) 19.555 4.054 ( 0.000 0.356 -11.807) 11.812 4.054 ( 0.000 0.356 11.807) 11.812 4.213 ( 0.000 5.196 -10.410) 11.635 4.213 ( 0.000 5.196 10.410) 11.635 4.507 ( 0.000 -7.886 -11.698) 14.108 4.507 ( 0.000 -7.886 11.698) 14.108 4.595 ( 0.000 -0.330 -6.618) 6.626 4.595 ( 0.000 -0.330 6.618) 6.626 5.015 ( 0.000 -13.825 -6.249) 15.172 5.015 ( 0.000 -13.825 6.249) 15.172 5.208 ( 0.000 -4.068 -3.228) 5.193 5.208 ( 0.000 -4.068 3.228) 5.193 5.418 ( 0.000 -5.582 -3.898) 6.809 5.418 ( 0.000 -5.582 3.898) 6.809 5.849 ( 0.000 -3.372 -0.733) 3.450 5.849 ( 0.000 -3.372 0.733) 3.450 5.945 ( 0.000 -1.462 -4.136) 4.386 5.945 ( 0.000 -1.462 4.136) 4.386 5.982 ( 0.000 1.960 -1.865) 2.705 5.982 ( 0.000 1.960 1.865) 2.705 6.232 ( 0.000 4.126 -5.453) 6.838 6.232 ( 0.000 4.126 5.453) 6.838 6.319 ( 0.000 1.719 -1.407) 2.221 6.319 ( 0.000 1.719 1.407) 2.221 6.657 ( 0.000 7.222 -1.689) 7.417 6.657 ( 0.000 7.222 1.689) 7.417 6.870 ( 0.000 -2.891 -4.833) 5.632 6.870 ( 0.000 -2.891 4.833) 5.632 7.097 ( 0.000 -14.941 -7.762) 16.836 7.097 ( 0.000 -14.941 7.762) 16.836 7.895 ( 0.000 2.935 -12.387) 12.730 7.895 ( 0.000 2.935 12.387) 12.730 8.009 ( 0.000 1.037 -4.072) 4.202 8.009 ( 0.000 1.037 4.072) 4.202 8.226 ( 0.000 9.453 -5.776) 11.078 8.226 ( 0.000 9.453 5.776) 11.078 8.603 ( 0.000 1.855 -1.378) 2.311 8.603 ( 0.000 1.855 1.378) 2.311 8.726 ( 0.000 7.043 -1.771) 7.262 8.726 ( 0.000 7.043 1.771) 7.262 8.776 ( 0.000 2.507 -3.737) 4.500 8.776 ( 0.000 2.507 3.737) 4.500 9.013 ( 0.000 2.984 -1.999) 3.591 9.013 ( 0.000 2.984 1.999) 3.591 9.219 ( 0.000 -2.465 -6.013) 6.499 9.219 ( 0.000 -2.465 6.013) 6.499 9.413 ( 0.000 -1.373 -2.624) 2.962 9.413 ( 0.000 -1.373 2.624) 2.962 9.572 ( 0.000 -2.760 -5.397) 6.062 9.572 ( 0.000 -2.760 5.397) 6.062 9.725 ( 0.000 2.406 -2.435) 3.423 9.725 ( 0.000 2.406 2.435) 3.423 9.817 ( 0.000 -0.746 -1.262) 1.466 9.817 ( 0.000 -0.746 1.262) 1.466 9.957 ( 0.000 1.889 -3.247) 3.756 9.957 ( 0.000 1.889 3.247) 3.756 10.100 ( 0.000 1.354 -1.254) 1.845 10.100 ( 0.000 1.354 1.254) 1.845 10.808 ( 0.000 1.775 -12.719) 12.842 10.808 ( 0.000 1.775 12.719) 12.842 11.080 ( 0.000 -5.408 -11.796) 12.977 11.080 ( 0.000 -5.408 11.796) 12.977 12.529 ( 0.000 1.487 -20.342) 20.396 12.529 ( 0.000 1.487 20.342) 20.396 12.823 ( 0.000 -4.473 -18.966) 19.486 12.823 ( 0.000 -4.473 18.966) 19.486 13.420 ( 0.000 2.615 -1.689) 3.113 13.420 ( 0.000 2.615 1.689) 3.113 13.676 ( 0.000 -3.807 -3.532) 5.193 13.676 ( 0.000 -3.807 3.532) 5.193 13.833 ( 0.000 0.180 -6.630) 6.633 13.833 ( 0.000 0.180 6.630) 6.633 13.977 ( 0.000 2.120 -3.146) 3.794 13.977 ( 0.000 2.120 3.146) 3.794 14.454 ( 0.000 0.609 -3.697) 3.747 14.454 ( 0.000 0.609 3.697) 3.747 14.492 ( 0.000 2.361 -4.079) 4.713 14.492 ( 0.000 2.361 4.079) 4.713 14.685 ( 0.000 -2.473 -1.146) 2.725 14.685 ( 0.000 -2.473 1.146) 2.725 14.806 ( 0.000 1.474 -6.448) 6.614 14.806 ( 0.000 1.474 6.448) 6.614 14.840 ( 0.000 -1.683 -6.623) 6.833 14.840 ( 0.000 -1.683 6.623) 6.833 15.027 ( 0.000 -4.339 -0.880) 4.427 15.027 ( 0.000 -4.339 0.880) 4.427 15.367 ( 0.000 -1.187 -3.352) 3.556 15.367 ( 0.000 -1.187 3.352) 3.556 15.548 ( 0.000 0.069 -5.409) 5.410 15.548 ( 0.000 0.069 5.409) 5.410 15.611 ( 0.000 -1.032 -0.721) 1.259 15.611 ( 0.000 -1.032 0.721) 1.259 15.854 ( 0.000 -6.858 -2.634) 7.346 15.854 ( 0.000 -6.858 2.634) 7.346 19.419 ( 0.000 2.892 -3.277) 4.370 19.419 ( 0.000 2.892 3.277) 4.370 19.711 ( 0.000 -3.134 -1.295) 3.391 19.711 ( 0.000 -3.134 1.295) 3.391 20.277 ( 0.000 1.344 -12.590) 12.662 20.277 ( 0.000 1.344 12.590) 12.662 20.373 ( 0.000 -0.561 -11.382) 11.396 20.373 ( 0.000 -0.561 11.382) 11.396 21.885 ( 0.000 3.890 -16.812) 17.256 21.885 ( 0.000 3.890 16.812) 17.256 22.104 ( 0.000 -0.297 -15.697) 15.700 22.104 ( 0.000 -0.297 15.697) 15.700 26.566 ( 0.000 2.417 -1.580) 2.888 26.566 ( 0.000 2.417 1.580) 2.888 26.959 ( 0.000 -4.871 -2.920) 5.680 26.959 ( 0.000 -4.871 2.920) 5.680 27.298 ( 0.000 2.311 -10.153) 10.413 27.298 ( 0.000 2.311 10.153) 10.413 27.597 ( 0.000 -6.546 -7.454) 9.920 27.597 ( 0.000 -6.546 7.454) 9.920 27.986 ( 0.000 5.437 -1.454) 5.628 27.986 ( 0.000 5.437 1.454) 5.628 28.224 ( 0.000 2.764 -7.532) 8.023 28.224 ( 0.000 2.764 7.532) 8.023 28.415 ( 0.000 8.090 -2.060) 8.348 28.415 ( 0.000 8.090 2.060) 8.348 28.655 ( 0.000 1.714 -13.796) 13.902 28.655 ( 0.000 1.714 13.796) 13.902 29.001 ( 0.000 -11.527 -1.138) 11.583 29.001 ( 0.000 -11.527 1.138) 11.583 29.137 ( 0.000 -6.818 -1.059) 6.900 29.137 ( 0.000 -6.818 1.059) 6.900 29.452 ( 0.000 3.795 -9.197) 9.949 29.452 ( 0.000 3.795 9.197) 9.949 29.897 ( 0.000 -6.843 -4.261) 8.061 29.897 ( 0.000 -6.843 4.261) 8.061 30.078 ( 0.000 5.070 -0.973) 5.163 30.078 ( 0.000 5.070 0.973) 5.163 30.243 ( 0.000 -1.427 -0.383) 1.478 30.243 ( 0.000 -1.427 0.383) 1.478 30.499 ( 0.000 2.631 -1.336) 2.951 30.499 ( 0.000 2.631 1.336) 2.951 30.637 ( 0.000 -2.034 -2.676) 3.361 30.637 ( 0.000 -2.034 2.676) 3.361 31.295 ( 0.000 12.426 -1.356) 12.500 31.295 ( 0.000 12.426 1.356) 12.500 32.076 ( 0.000 -6.685 -3.517) 7.553 32.076 ( 0.000 -6.685 3.517) 7.553 ======================= Grid point 86 (30/36) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 7.220 3.578 -5.421) 9.712 1.057 ( 7.220 3.578 5.421) 9.712 1.228 ( 5.842 2.559 -5.101) 8.167 1.228 ( 5.842 2.559 5.101) 8.167 1.358 ( 0.690 -0.140 -4.802) 4.853 1.358 ( 0.690 -0.140 4.802) 4.853 1.445 ( -0.106 2.758 -2.833) 3.955 1.445 ( -0.106 2.758 2.833) 3.955 1.532 ( 3.498 0.194 -3.664) 5.069 1.532 ( 3.498 0.194 3.664) 5.069 1.594 ( 0.889 0.995 -1.115) 1.739 1.594 ( 0.889 0.995 1.115) 1.739 1.678 ( 6.166 -1.573 -1.772) 6.606 1.678 ( 6.166 -1.573 1.772) 6.606 1.826 ( 4.560 6.099 -2.676) 8.072 1.826 ( 4.560 6.099 2.676) 8.072 1.916 ( 1.718 1.004 -6.219) 6.530 1.916 ( 1.718 1.004 6.219) 6.530 2.023 ( 0.541 -0.375 -1.422) 1.567 2.023 ( 0.541 -0.375 1.422) 1.567 2.100 ( 1.628 0.709 -10.191) 10.345 2.100 ( 1.628 0.709 10.191) 10.345 2.255 ( -0.929 -0.435 -4.408) 4.526 2.255 ( -0.929 -0.435 4.408) 4.526 2.322 ( 1.658 0.605 -4.460) 4.797 2.322 ( 1.658 0.605 4.460) 4.797 2.504 ( 8.155 1.106 -10.753) 13.541 2.504 ( 8.155 1.106 10.753) 13.541 2.687 ( 2.696 1.819 -3.747) 4.961 2.687 ( 2.696 1.819 3.747) 4.961 3.006 ( 0.663 4.436 -8.034) 9.201 3.006 ( 0.663 4.436 8.034) 9.201 3.178 ( 13.109 2.061 -7.850) 15.418 3.178 ( 13.109 2.061 7.850) 15.418 3.422 ( 2.899 2.649 -12.266) 12.880 3.422 ( 2.899 2.649 12.266) 12.880 3.712 ( 6.647 -2.408 -6.930) 9.900 3.712 ( 6.647 -2.408 6.930) 9.900 4.016 ( 0.398 5.478 -24.299) 24.912 4.016 ( 0.398 5.478 24.299) 24.912 4.339 ( -0.882 -3.292 -12.156) 12.625 4.339 ( -0.882 -3.292 12.156) 12.625 4.417 ( 2.110 -2.616 -19.435) 19.723 4.417 ( 2.110 -2.616 19.435) 19.723 4.747 ( 12.205 -2.802 -13.326) 18.286 4.747 ( 12.205 -2.802 13.326) 18.286 5.091 ( 3.006 -2.607 -4.565) 6.055 5.091 ( 3.006 -2.607 4.565) 6.055 5.240 ( 3.429 -1.822 -7.438) 8.391 5.240 ( 3.429 -1.822 7.438) 8.391 5.477 ( 6.643 -7.392 -2.953) 10.368 5.477 ( 6.643 -7.392 2.953) 10.368 5.799 ( -3.752 -3.355 -1.944) 5.396 5.799 ( -3.752 -3.355 1.944) 5.396 5.897 ( -3.725 -0.815 -4.137) 5.626 5.897 ( -3.725 -0.815 4.137) 5.626 6.012 ( 1.875 0.587 -2.185) 2.938 6.012 ( 1.875 0.587 2.185) 2.938 6.229 ( 0.077 4.644 -5.050) 6.861 6.229 ( 0.077 4.644 5.050) 6.861 6.301 ( -1.885 2.343 -3.251) 4.429 6.301 ( -1.885 2.343 3.251) 4.429 6.608 ( -4.014 4.911 -3.539) 7.263 6.608 ( -4.014 4.911 3.539) 7.263 6.848 ( -1.602 -2.481 -5.613) 6.342 6.848 ( -1.602 -2.481 5.613) 6.342 7.097 ( -0.719 -12.897 -8.102) 15.248 7.097 ( -0.719 -12.897 8.102) 15.248 7.823 ( -9.414 1.856 -5.932) 11.281 7.823 ( -9.414 1.856 5.932) 11.281 7.952 ( -6.848 -0.264 -4.534) 8.217 7.952 ( -6.848 -0.264 4.534) 8.217 8.172 ( -2.454 9.473 -4.414) 10.735 8.172 ( -2.454 9.473 4.414) 10.735 8.522 ( -4.490 1.185 -4.756) 6.647 8.522 ( -4.490 1.185 4.756) 6.647 8.645 ( -7.396 1.156 -4.853) 8.921 8.645 ( -7.396 1.156 4.853) 8.921 8.804 ( 2.470 4.520 -2.548) 5.746 8.804 ( 2.470 4.520 2.548) 5.746 9.030 ( -0.249 1.054 -1.463) 1.820 9.030 ( -0.249 1.054 1.463) 1.820 9.192 ( -2.002 0.090 -6.536) 6.836 9.192 ( -2.002 0.090 6.536) 6.836 9.431 ( 1.628 -2.548 -1.931) 3.587 9.431 ( 1.628 -2.548 1.931) 3.587 9.536 ( -2.526 -2.007 -5.627) 6.486 9.536 ( -2.526 -2.007 5.627) 6.486 9.739 ( 1.358 1.917 -4.704) 5.258 9.739 ( 1.358 1.917 4.704) 5.258 9.851 ( 3.720 -0.484 -2.746) 4.649 9.851 ( 3.720 -0.484 2.746) 4.649 10.012 ( 3.780 -0.025 -3.399) 5.083 10.012 ( 3.780 -0.025 3.399) 5.083 10.126 ( 2.231 1.617 -2.076) 3.450 10.126 ( 2.231 1.617 2.076) 3.450 10.790 ( -1.457 1.289 -12.687) 12.835 10.790 ( -1.457 1.289 12.687) 12.835 10.999 ( -6.525 -4.131 -14.143) 16.114 10.999 ( -6.525 -4.131 14.143) 16.114 12.506 ( -1.229 2.444 -18.115) 18.320 12.506 ( -1.229 2.444 18.115) 18.321 12.814 ( -1.139 -4.070 -16.987) 17.505 12.814 ( -1.139 -4.070 16.987) 17.505 13.409 ( -0.848 2.905 -2.812) 4.131 13.409 ( -0.848 2.905 2.812) 4.131 13.683 ( 0.306 -3.650 -3.698) 5.205 13.683 ( 0.306 -3.650 3.698) 5.205 13.902 ( 6.007 0.772 -3.861) 7.183 13.902 ( 6.007 0.772 3.861) 7.183 14.031 ( 4.278 1.253 -5.297) 6.923 14.031 ( 4.278 1.253 5.297) 6.923 14.444 ( -0.900 0.857 -3.401) 3.621 14.444 ( -0.900 0.857 3.401) 3.621 14.490 ( -0.782 2.804 -3.905) 4.871 14.490 ( -0.782 2.804 3.905) 4.871 14.677 ( -0.957 -2.379 -3.900) 4.668 14.677 ( -0.957 -2.379 3.900) 4.668 14.806 ( -0.092 -0.189 -2.973) 2.980 14.806 ( -0.092 -0.189 2.973) 2.980 14.840 ( 0.445 -1.615 -5.928) 6.160 14.840 ( 0.445 -1.615 5.928) 6.160 14.969 ( -4.546 -3.542 -4.270) 7.173 14.969 ( -4.546 -3.542 4.270) 7.173 15.385 ( 0.740 -0.460 -3.450) 3.559 15.385 ( 0.740 -0.460 3.450) 3.559 15.540 ( -0.924 -1.219 -4.430) 4.686 15.540 ( -0.924 -1.219 4.430) 4.686 15.643 ( 4.141 1.772 -2.883) 5.348 15.643 ( 4.141 1.772 2.883) 5.348 15.894 ( 2.936 -4.886 -8.013) 9.833 15.894 ( 2.936 -4.886 8.013) 9.833 19.436 ( 1.301 1.453 -3.412) 3.930 19.436 ( 1.301 1.453 3.412) 3.930 19.682 ( -2.695 -3.196 -1.325) 4.385 19.682 ( -2.695 -3.196 1.325) 4.385 20.286 ( 0.831 1.315 -11.154) 11.262 20.286 ( 0.831 1.315 11.154) 11.262 20.377 ( 0.355 -0.201 -9.850) 9.858 20.377 ( 0.355 -0.201 9.850) 9.858 21.887 ( 0.344 3.129 -16.237) 16.539 21.887 ( 0.344 3.129 16.237) 16.539 22.072 ( -2.724 -0.486 -15.809) 16.049 22.072 ( -2.724 -0.486 15.809) 16.049 26.564 ( 0.471 2.847 -6.095) 6.744 26.564 ( 0.471 2.847 6.095) 6.744 26.919 ( -3.668 -3.878 -6.758) 8.612 26.919 ( -3.668 -3.878 6.758) 8.612 27.382 ( 6.700 1.331 -11.364) 13.259 27.382 ( 6.700 1.331 11.364) 13.259 27.657 ( 4.764 -6.734 -6.262) 10.357 27.657 ( 4.764 -6.734 6.262) 10.357 27.966 ( -0.860 3.752 -3.605) 5.274 27.966 ( -0.860 3.752 3.605) 5.274 28.249 ( 1.233 -0.643 -8.198) 8.315 28.249 ( 1.233 -0.643 8.198) 8.315 28.463 ( 4.292 8.909 -4.402) 10.825 28.463 ( 4.292 8.909 4.402) 10.825 28.674 ( 2.119 3.596 -12.162) 12.858 28.674 ( 2.119 3.596 12.162) 12.858 28.862 ( -8.816 -10.486 -2.724) 13.968 28.862 ( -8.816 -10.486 2.724) 13.968 29.193 ( 1.234 -0.479 -1.032) 1.679 29.193 ( 1.234 -0.479 1.032) 1.679 29.447 ( -0.329 3.276 -9.323) 9.888 29.447 ( -0.329 3.276 9.323) 9.888 29.769 ( -9.453 -2.835 -5.571) 11.333 29.769 ( -9.453 -2.835 5.571) 11.333 30.107 ( 2.277 2.303 -1.355) 3.510 30.107 ( 2.277 2.303 1.355) 3.510 30.253 ( 0.753 -1.405 -2.182) 2.702 30.253 ( 0.753 -1.405 2.182) 2.702 30.525 ( 1.904 1.545 -1.439) 2.843 30.525 ( 1.904 1.545 1.439) 2.843 30.627 ( -0.779 -1.324 -4.371) 4.633 30.627 ( -0.779 -1.324 4.371) 4.633 31.391 ( 7.696 6.869 -2.897) 10.715 31.391 ( 7.696 6.869 2.897) 10.715 32.014 ( -5.525 -6.466 -3.846) 9.335 32.014 ( -5.525 -6.466 3.846) 9.335 ======================= Grid point 88 (31/36) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 2.454 -5.094 -3.637) 6.723 1.145 ( 2.454 -5.094 3.637) 6.723 1.275 ( 0.973 -0.781 -2.628) 2.909 1.275 ( 0.973 -0.781 2.628) 2.909 1.350 ( -0.135 -0.509 -2.961) 3.008 1.350 ( -0.135 -0.509 2.961) 3.008 1.445 ( 0.097 1.016 -2.625) 2.816 1.445 ( 0.097 1.016 2.625) 2.816 1.556 ( -1.087 0.512 -4.723) 4.873 1.556 ( -1.087 0.512 4.723) 4.873 1.613 ( 0.180 0.886 -1.844) 2.054 1.613 ( 0.180 0.886 1.844) 2.054 1.777 ( 2.893 -4.215 -3.938) 6.453 1.777 ( 2.893 -4.215 3.938) 6.453 1.863 ( 0.232 -1.646 -2.911) 3.352 1.863 ( 0.232 -1.646 2.911) 3.352 1.970 ( -0.768 -0.242 -5.058) 5.122 1.970 ( -0.768 -0.242 5.058) 5.122 2.040 ( 0.943 -0.681 -0.896) 1.468 2.040 ( 0.943 -0.681 0.896) 1.468 2.164 ( 2.773 -0.146 -5.546) 6.202 2.164 ( 2.773 -0.146 5.546) 6.202 2.247 ( 0.590 -0.428 -3.359) 3.437 2.247 ( 0.590 -0.428 3.359) 3.437 2.355 ( 2.079 -1.833 -4.220) 5.049 2.355 ( 2.079 -1.833 4.220) 5.049 2.547 ( -5.909 -5.413 -2.285) 8.333 2.547 ( -5.909 -5.413 2.285) 8.333 2.724 ( 6.426 0.809 -5.950) 8.795 2.724 ( 6.426 0.809 5.950) 8.795 3.052 ( -5.064 -6.026 -10.570) 13.179 3.052 ( -5.064 -6.026 10.570) 13.179 3.339 ( 12.602 15.173 -8.325) 21.409 3.339 ( 12.602 15.173 8.325) 21.409 3.682 ( 10.125 4.073 -10.954) 15.463 3.682 ( 10.125 4.073 10.954) 15.463 3.975 ( 13.025 6.605 -8.511) 16.903 3.975 ( 13.025 6.605 8.511) 16.903 4.105 ( 5.479 -3.815 -9.060) 11.255 4.105 ( 5.479 -3.815 9.060) 11.255 4.359 ( 5.826 1.496 -6.641) 8.960 4.359 ( 5.826 1.496 6.641) 8.960 4.493 ( 8.271 0.719 -3.964) 9.200 4.493 ( 8.271 0.719 3.964) 9.200 4.930 ( 1.571 2.781 -6.609) 7.340 4.930 ( 1.571 2.781 6.609) 7.340 5.153 ( 6.196 5.731 -3.974) 9.328 5.153 ( 6.196 5.731 3.974) 9.328 5.359 ( 5.846 -2.622 -13.308) 14.770 5.359 ( 5.846 -2.622 13.308) 14.770 5.611 ( 0.357 -4.747 -1.544) 5.004 5.611 ( 0.357 -4.747 1.544) 5.004 5.757 ( 2.751 -4.328 -2.369) 5.649 5.757 ( 2.751 -4.328 2.369) 5.649 5.843 ( 0.648 -1.462 -4.231) 4.523 5.843 ( 0.648 -1.462 4.231) 4.523 6.049 ( 1.586 0.502 -2.659) 3.136 6.049 ( 1.586 0.502 2.659) 3.136 6.212 ( -3.312 2.855 -3.539) 5.625 6.212 ( -3.312 2.855 3.539) 5.625 6.270 ( 0.701 3.459 -5.253) 6.328 6.270 ( 0.701 3.459 5.253) 6.328 6.516 ( -4.214 2.845 -2.296) 5.579 6.516 ( -4.214 2.845 2.296) 5.579 6.829 ( 0.137 -2.740 -8.116) 8.567 6.829 ( 0.137 -2.740 8.116) 8.567 7.038 ( -5.210 -8.628 -7.220) 12.399 7.038 ( -5.210 -8.628 7.220) 12.399 7.534 ( -14.581 1.712 -1.866) 14.800 7.534 ( -14.581 1.712 1.866) 14.800 7.673 ( -16.507 -0.874 -2.312) 16.691 7.673 ( -16.507 -0.874 2.312) 16.691 8.207 ( 4.228 2.727 -14.222) 15.086 8.207 ( 4.228 2.727 14.222) 15.086 8.434 ( -5.661 -1.094 -10.522) 11.998 8.434 ( -5.661 -1.094 10.522) 11.998 8.538 ( -0.664 1.356 -5.945) 6.134 8.538 ( -0.664 1.356 5.945) 6.134 8.832 ( -0.257 2.039 -3.435) 4.003 8.832 ( -0.257 2.039 3.435) 4.003 8.975 ( -3.839 1.669 -5.415) 6.844 8.975 ( -3.839 1.669 5.415) 6.844 9.153 ( -1.621 -0.323 -5.738) 5.971 9.153 ( -1.621 -0.323 5.738) 5.971 9.453 ( 0.195 -2.787 -0.929) 2.944 9.453 ( 0.195 -2.787 0.929) 2.944 9.498 ( -0.933 -0.963 -3.673) 3.910 9.498 ( -0.933 -0.963 3.673) 3.910 9.819 ( 6.046 -0.489 -6.615) 8.975 9.819 ( 6.046 -0.489 6.615) 8.975 9.932 ( 2.897 -1.798 -4.286) 5.477 9.932 ( 2.897 -1.798 4.286) 5.477 10.079 ( 2.607 -0.574 -3.798) 4.642 10.079 ( 2.607 -0.574 3.798) 4.642 10.168 ( 0.970 0.795 -2.869) 3.131 10.168 ( 0.970 0.795 2.869) 3.131 10.760 ( -1.066 0.644 -12.097) 12.161 10.760 ( -1.066 0.644 12.097) 12.161 10.864 ( -5.446 -1.723 -14.831) 15.893 10.864 ( -5.446 -1.723 14.831) 15.893 12.515 ( 2.413 3.340 -13.621) 14.231 12.515 ( 2.413 3.340 13.621) 14.231 12.763 ( -3.823 -2.067 -12.850) 13.565 12.763 ( -3.823 -2.067 12.850) 13.565 13.392 ( -0.655 3.435 -3.171) 4.721 13.392 ( -0.655 3.435 3.171) 4.721 13.690 ( 0.461 -3.518 -3.647) 5.089 13.690 ( 0.461 -3.518 3.647) 5.089 14.036 ( 5.925 0.658 -4.779) 7.640 14.036 ( 5.925 0.658 4.779) 7.640 14.116 ( 3.024 0.190 -3.872) 4.917 14.116 ( 3.024 0.190 3.872) 4.917 14.415 ( -1.641 2.019 -2.418) 3.552 14.415 ( -1.641 2.019 2.418) 3.552 14.461 ( -1.739 1.475 -4.687) 5.212 14.461 ( -1.739 1.475 4.687) 5.212 14.650 ( -0.828 -1.007 -6.318) 6.451 14.650 ( -0.828 -1.007 6.318) 6.451 14.783 ( -3.106 -2.835 -1.279) 4.396 14.783 ( -3.106 -2.835 1.279) 4.396 14.850 ( 0.498 -1.768 -5.456) 5.757 14.850 ( 0.498 -1.768 5.456) 5.757 14.903 ( -0.777 -1.040 -3.553) 3.783 14.903 ( -0.777 -1.040 3.553) 3.783 15.383 ( -0.591 1.555 -2.522) 3.021 15.383 ( -0.591 1.555 2.522) 3.021 15.519 ( -0.807 -0.897 -2.569) 2.839 15.519 ( -0.807 -0.897 2.569) 2.839 15.776 ( 7.392 1.629 -6.960) 10.283 15.776 ( 7.392 1.629 6.960) 10.283 15.939 ( 0.734 -1.631 -7.584) 7.792 15.939 ( 0.734 -1.631 7.584) 7.792 19.465 ( 1.549 -0.426 -2.603) 3.059 19.465 ( 1.549 -0.426 2.603) 3.059 19.610 ( -3.840 -3.074 -1.188) 5.060 19.610 ( -3.840 -3.074 1.188) 5.060 20.305 ( 0.795 1.570 -6.745) 6.971 20.305 ( 0.795 1.570 6.745) 6.971 20.385 ( 0.367 0.104 -5.840) 5.852 20.385 ( 0.367 0.104 5.840) 5.852 21.903 ( 1.250 1.571 -15.591) 15.720 21.903 ( 1.250 1.571 15.591) 15.720 22.006 ( -3.232 -0.508 -15.640) 15.979 22.006 ( -3.232 -0.508 15.640) 15.979 26.604 ( 3.365 2.470 -9.839) 10.688 26.604 ( 3.365 2.470 9.839) 10.688 26.821 ( -5.356 -1.556 -10.796) 12.152 26.821 ( -5.356 -1.556 10.796) 12.152 27.524 ( 6.171 0.345 -9.028) 10.941 27.524 ( 6.171 0.345 9.028) 10.941 27.723 ( 0.306 -3.041 -3.354) 4.538 27.723 ( 0.306 -3.041 3.354) 4.538 28.002 ( 4.920 -3.262 -3.437) 6.831 28.002 ( 4.920 -3.262 3.437) 6.831 28.237 ( -2.795 -5.557 -5.707) 8.442 28.237 ( -2.795 -5.557 5.707) 8.442 28.556 ( 3.601 3.574 -11.950) 12.983 28.556 ( 3.601 3.574 11.950) 12.983 28.700 ( -4.856 -4.768 -7.437) 10.081 28.700 ( -4.856 -4.768 7.437) 10.081 28.775 ( 6.749 10.404 -4.642) 13.242 28.775 ( 6.749 10.404 4.642) 13.242 29.139 ( -6.310 9.790 -0.682) 11.667 29.139 ( -6.310 9.790 0.682) 11.667 29.448 ( 0.621 1.434 -9.159) 9.291 29.448 ( 0.621 1.434 9.159) 9.291 29.589 ( -6.875 -2.129 -7.460) 10.366 29.589 ( -6.875 -2.129 7.460) 10.366 30.170 ( 3.550 -0.642 -1.379) 3.862 30.170 ( 3.550 -0.642 1.379) 3.862 30.262 ( -0.183 -1.596 -2.986) 3.391 30.262 ( -0.183 -1.596 2.986) 3.391 30.561 ( 1.436 0.810 -3.241) 3.636 30.561 ( 1.436 0.810 3.241) 3.636 30.609 ( -0.940 -0.569 -5.972) 6.072 30.609 ( -0.940 -0.569 5.972) 6.072 31.560 ( 7.927 0.335 -4.477) 9.110 31.560 ( 7.927 0.335 4.477) 9.110 31.873 ( -7.365 -5.485 -4.631) 10.284 31.873 ( -7.365 -5.485 4.631) 10.284 ======================= Grid point 90 (32/36) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -5.376 0.000) 5.376 1.204 ( 0.000 -5.376 0.000) 5.376 1.271 ( 0.000 -5.986 -0.000) 5.986 1.271 ( 0.000 -5.986 0.000) 5.986 1.359 ( 0.000 -1.127 -0.000) 1.127 1.359 ( 0.000 -1.127 0.000) 1.127 1.444 ( 0.000 -3.092 -0.000) 3.092 1.444 ( 0.000 -3.092 0.000) 3.092 1.518 ( -0.000 2.311 0.000) 2.311 1.518 ( 0.000 2.311 0.000) 2.311 1.608 ( 0.000 1.121 0.000) 1.121 1.608 ( 0.000 1.121 0.000) 1.121 1.820 ( 0.000 -3.332 0.000) 3.332 1.820 ( 0.000 -3.332 0.000) 3.332 1.854 ( 0.000 -3.214 0.000) 3.214 1.854 ( 0.000 -3.214 0.000) 3.214 1.937 ( 0.000 0.352 0.000) 0.352 1.937 ( 0.000 0.352 0.000) 0.352 2.055 ( 0.000 -1.764 0.000) 1.764 2.055 ( 0.000 -1.764 0.000) 1.764 2.192 ( 0.000 -1.997 0.000) 1.997 2.192 ( 0.000 -1.997 0.000) 1.997 2.246 ( 0.000 -0.201 0.000) 0.201 2.246 ( 0.000 -0.201 0.000) 0.201 2.401 ( -0.000 -0.556 -0.000) 0.556 2.401 ( 0.000 -0.556 0.000) 0.556 2.461 ( 0.000 -7.726 0.000) 7.726 2.461 ( 0.000 -7.726 0.000) 7.726 2.853 ( -0.000 -8.227 -0.000) 8.227 2.853 ( 0.000 -8.227 0.000) 8.227 2.919 ( 0.000 -5.069 0.000) 5.069 2.919 ( 0.000 -5.069 0.000) 5.069 3.529 ( 0.000 19.527 -0.000) 19.527 3.529 ( -0.000 19.527 0.000) 19.527 3.776 ( 0.000 7.572 -0.000) 7.572 3.776 ( 0.000 7.572 0.000) 7.572 4.115 ( 0.000 4.330 -0.000) 4.330 4.115 ( 0.000 4.330 0.000) 4.330 4.118 ( -0.000 0.132 -0.000) 0.132 4.118 ( 0.000 0.132 0.000) 0.132 4.399 ( 0.000 4.431 -0.000) 4.431 4.399 ( 0.000 4.431 0.000) 4.431 4.695 ( 0.000 -1.747 0.000) 1.747 4.695 ( 0.000 -1.747 0.000) 1.747 5.027 ( -0.000 8.155 -0.000) 8.155 5.027 ( 0.000 8.155 0.000) 8.155 5.183 ( 0.000 4.721 0.000) 4.721 5.183 ( 0.000 4.721 0.000) 4.721 5.440 ( 0.000 -2.632 -0.000) 2.632 5.440 ( 0.000 -2.632 -0.000) 2.632 5.518 ( 0.000 -1.525 0.000) 1.525 5.518 ( 0.000 -1.525 0.000) 1.525 5.847 ( -0.000 -2.925 -0.000) 2.925 5.847 ( -0.000 -2.925 0.000) 2.925 5.879 ( 0.000 -3.845 -0.000) 3.845 5.879 ( 0.000 -3.845 0.000) 3.845 6.057 ( 0.000 3.069 -0.000) 3.069 6.057 ( 0.000 3.069 0.000) 3.069 6.171 ( 0.000 -2.311 -0.000) 2.311 6.171 ( 0.000 -2.311 0.000) 2.311 6.295 ( 0.000 3.924 0.000) 3.924 6.295 ( 0.000 3.924 0.000) 3.924 6.457 ( 0.000 2.557 0.000) 2.557 6.457 ( 0.000 2.557 0.000) 2.557 6.848 ( -0.000 -1.447 -0.000) 1.447 6.848 ( 0.000 -1.447 0.000) 1.447 6.938 ( 0.000 -8.023 0.000) 8.023 6.938 ( 0.000 -8.023 0.000) 8.023 7.370 ( 0.000 0.300 0.000) 0.300 7.370 ( 0.000 0.300 0.000) 0.300 7.454 ( 0.000 -0.363 0.000) 0.363 7.454 ( 0.000 -0.363 0.000) 0.363 8.295 ( -0.000 0.449 -0.000) 0.449 8.295 ( 0.000 0.449 0.000) 0.449 8.326 ( 0.000 -2.896 0.000) 2.896 8.326 ( 0.000 -2.896 0.000) 2.896 8.555 ( 0.000 2.184 0.000) 2.184 8.555 ( 0.000 2.184 0.000) 2.184 8.812 ( 0.000 -1.629 0.000) 1.629 8.812 ( 0.000 -1.629 0.000) 1.629 8.929 ( 0.000 4.927 -0.000) 4.927 8.929 ( 0.000 4.927 0.000) 4.927 9.134 ( 0.000 -0.615 0.000) 0.615 9.134 ( 0.000 -0.615 0.000) 0.615 9.458 ( 0.000 -1.565 -0.000) 1.565 9.458 ( 0.000 -1.565 0.000) 1.565 9.485 ( 0.000 -1.382 0.000) 1.382 9.485 ( 0.000 -1.382 0.000) 1.382 9.921 ( 0.000 -2.618 0.000) 2.618 9.921 ( 0.000 -2.618 0.000) 2.618 9.942 ( -0.000 -3.814 -0.000) 3.814 9.942 ( 0.000 -3.814 0.000) 3.814 10.121 ( -0.000 0.689 -0.000) 0.689 10.121 ( 0.000 0.689 0.000) 0.689 10.161 ( 0.000 -0.065 0.000) 0.065 10.161 ( 0.000 -0.065 0.000) 0.065 10.752 ( 0.000 0.714 -0.000) 0.714 10.752 ( 0.000 0.714 -0.000) 0.714 10.800 ( 0.000 -0.597 0.000) 0.597 10.800 ( 0.000 -0.597 0.000) 0.597 12.569 ( 0.000 2.884 -0.000) 2.884 12.569 ( 0.000 2.884 0.000) 2.884 12.694 ( 0.000 -0.074 -0.000) 0.074 12.694 ( 0.000 -0.074 0.000) 0.074 13.385 ( 0.000 3.665 0.000) 3.665 13.385 ( 0.000 3.665 0.000) 3.665 13.697 ( 0.000 -3.837 0.000) 3.837 13.697 ( 0.000 -3.837 0.000) 3.837 14.119 ( -0.000 0.224 -0.000) 0.224 14.119 ( 0.000 0.224 0.000) 0.224 14.134 ( 0.000 0.281 0.000) 0.281 14.134 ( 0.000 0.281 0.000) 0.281 14.399 ( 0.000 2.489 0.000) 2.489 14.399 ( 0.000 2.489 0.000) 2.489 14.432 ( 0.000 0.393 -0.000) 0.393 14.432 ( 0.000 0.393 0.000) 0.393 14.654 ( 0.000 -1.206 -0.000) 1.206 14.654 ( 0.000 -1.206 0.000) 1.206 14.727 ( 0.000 -1.646 0.000) 1.646 14.727 ( 0.000 -1.646 0.000) 1.646 14.857 ( 0.000 -0.552 -0.000) 0.552 14.857 ( 0.000 -0.552 -0.000) 0.552 14.902 ( 0.000 -2.205 0.000) 2.205 14.902 ( 0.000 -2.205 0.000) 2.205 15.375 ( 0.000 2.392 0.000) 2.392 15.375 ( 0.000 2.392 0.000) 2.392 15.511 ( 0.000 -0.745 0.000) 0.745 15.511 ( 0.000 -0.745 0.000) 0.745 15.897 ( 0.000 0.625 -0.000) 0.625 15.897 ( 0.000 0.625 0.000) 0.625 15.912 ( -0.000 0.251 -0.000) 0.251 15.912 ( 0.000 0.251 0.000) 0.251 19.494 ( 0.000 -1.205 -0.000) 1.205 19.494 ( 0.000 -1.205 0.000) 1.205 19.553 ( 0.000 -2.819 0.000) 2.819 19.553 ( 0.000 -2.819 0.000) 2.819 20.314 ( 0.000 1.860 0.000) 1.860 20.314 ( 0.000 1.860 0.000) 1.860 20.389 ( 0.000 0.059 -0.000) 0.059 20.389 ( 0.000 0.059 0.000) 0.059 21.931 ( 0.000 0.580 -0.000) 0.580 21.931 ( 0.000 0.580 0.000) 0.580 21.957 ( -0.000 -0.172 -0.000) 0.172 21.957 ( 0.000 -0.172 0.000) 0.172 26.676 ( 0.000 1.336 -0.000) 1.336 26.676 ( 0.000 1.336 0.000) 1.336 26.728 ( 0.000 0.289 -0.000) 0.289 26.728 ( 0.000 0.289 0.000) 0.289 27.606 ( 0.000 0.225 -0.000) 0.225 27.606 ( 0.000 0.225 0.000) 0.225 27.703 ( 0.000 -0.837 0.000) 0.837 27.703 ( 0.000 -0.837 0.000) 0.837 28.118 ( -0.000 -7.696 0.000) 7.696 28.118 ( 0.000 -7.696 0.000) 7.696 28.151 ( -0.000 -7.098 0.000) 7.098 28.151 ( 0.000 -7.098 -0.000) 7.098 28.602 ( 0.000 -0.729 -0.000) 0.729 28.602 ( 0.000 -0.729 0.000) 0.729 28.637 ( 0.000 -1.271 -0.000) 1.271 28.637 ( 0.000 -1.271 0.000) 1.271 28.948 ( 0.000 14.160 0.000) 14.160 28.948 ( 0.000 14.160 0.000) 14.160 28.975 ( -0.000 13.839 0.000) 13.839 28.975 ( 0.000 13.839 0.000) 13.839 29.473 ( -0.000 -0.399 -0.000) 0.399 29.473 ( 0.000 -0.399 -0.000) 0.399 29.499 ( 0.000 -1.257 0.000) 1.257 29.499 ( 0.000 -1.257 0.000) 1.257 30.233 ( -0.000 -1.725 -0.000) 1.725 30.233 ( 0.000 -1.725 -0.000) 1.725 30.239 ( -0.000 -1.808 0.000) 1.808 30.239 ( 0.000 -1.808 0.000) 1.808 30.587 ( 0.000 0.166 -0.000) 0.166 30.587 ( 0.000 0.166 0.000) 0.166 30.587 ( -0.000 0.123 -0.000) 0.123 30.587 ( -0.000 0.123 0.000) 0.123 31.701 ( -0.000 -2.861 -0.000) 2.861 31.701 ( 0.000 -2.861 0.000) 2.861 31.736 ( 0.000 -3.766 -0.000) 3.766 31.736 ( 0.000 -3.766 0.000) 3.766 ======================= Grid point 98 (33/36) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 5.984 -3.298) 6.833 1.087 ( 0.000 5.984 3.298) 6.833 1.131 ( 0.000 0.823 -6.302) 6.355 1.131 ( 0.000 0.823 6.302) 6.355 1.312 ( 0.000 -2.518 -2.647) 3.654 1.312 ( 0.000 -2.518 2.647) 3.654 1.444 ( 0.000 -0.167 -1.901) 1.908 1.444 ( 0.000 -0.167 1.901) 1.908 1.520 ( 0.000 -0.031 -1.969) 1.970 1.520 ( 0.000 -0.031 1.969) 1.970 1.552 ( 0.000 -0.137 -1.625) 1.630 1.552 ( 0.000 -0.137 1.625) 1.630 1.745 ( 0.000 6.922 -2.158) 7.251 1.745 ( 0.000 6.922 2.158) 7.251 1.883 ( 0.000 3.085 -2.406) 3.912 1.883 ( 0.000 3.085 2.406) 3.912 1.942 ( 0.000 0.553 -2.727) 2.783 1.942 ( 0.000 0.553 2.727) 2.783 1.996 ( 0.000 -2.750 -3.328) 4.317 1.996 ( 0.000 -2.750 3.328) 4.317 2.165 ( 0.000 2.378 -4.399) 5.001 2.165 ( 0.000 2.378 4.399) 5.001 2.229 ( 0.000 -0.957 -8.123) 8.179 2.229 ( 0.000 -0.957 8.123) 8.179 2.254 ( 0.000 -3.114 -4.114) 5.160 2.254 ( 0.000 -3.114 4.114) 5.160 2.514 ( 0.000 6.164 -5.562) 8.302 2.514 ( 0.000 6.164 5.562) 8.302 2.702 ( 0.000 5.628 -2.075) 5.998 2.702 ( 0.000 5.628 2.075) 5.998 2.943 ( 0.000 -5.531 -1.591) 5.755 2.943 ( 0.000 -5.531 1.591) 5.755 3.243 ( 0.000 6.507 -4.112) 7.697 3.243 ( 0.000 6.507 4.112) 7.697 3.523 ( 0.000 16.521 -1.650) 16.603 3.523 ( 0.000 16.521 1.650) 16.603 3.709 ( 0.000 2.618 -7.758) 8.188 3.709 ( 0.000 2.618 7.758) 8.188 3.969 ( 0.000 -10.942 -3.728) 11.559 3.969 ( 0.000 -10.942 3.728) 11.559 4.226 ( 0.000 -4.194 -9.615) 10.490 4.226 ( 0.000 -4.194 9.615) 10.490 4.358 ( 0.000 -8.333 -7.809) 11.420 4.358 ( 0.000 -8.333 7.809) 11.420 4.616 ( 0.000 3.572 -7.949) 8.715 4.616 ( 0.000 3.572 7.949) 8.715 4.729 ( 0.000 -9.425 -3.536) 10.066 4.729 ( 0.000 -9.425 3.536) 10.066 5.194 ( 0.000 1.514 -0.987) 1.808 5.194 ( 0.000 1.514 0.987) 1.808 5.316 ( 0.000 -4.120 -3.185) 5.208 5.316 ( 0.000 -4.120 3.185) 5.208 5.771 ( 0.000 -3.191 -1.277) 3.437 5.771 ( 0.000 -3.191 1.277) 3.437 5.919 ( 0.000 -1.001 -2.300) 2.508 5.919 ( 0.000 -1.001 2.300) 2.508 6.023 ( 0.000 1.673 -0.638) 1.790 6.023 ( 0.000 1.673 0.638) 1.790 6.309 ( 0.000 0.600 -1.479) 1.596 6.309 ( 0.000 0.600 1.479) 1.596 6.390 ( 0.000 7.760 -6.353) 10.029 6.390 ( 0.000 7.760 6.353) 10.029 6.722 ( 0.000 -11.125 -10.951) 15.611 6.722 ( 0.000 -11.125 10.951) 15.611 6.785 ( 0.000 4.569 -6.045) 7.577 6.785 ( 0.000 4.569 6.045) 7.577 6.896 ( 0.000 -4.190 -7.169) 8.304 6.896 ( 0.000 -4.190 7.169) 8.304 7.945 ( 0.000 2.346 -11.510) 11.746 7.945 ( 0.000 2.346 11.510) 11.746 7.989 ( 0.000 -2.149 -8.665) 8.927 7.989 ( 0.000 -2.149 8.665) 8.927 8.435 ( 0.000 9.359 -7.475) 11.978 8.435 ( 0.000 9.359 7.475) 11.978 8.641 ( 0.000 2.241 -3.060) 3.793 8.641 ( 0.000 2.241 3.060) 3.793 8.735 ( 0.000 -5.443 -4.052) 6.786 8.735 ( 0.000 -5.443 4.052) 6.786 8.875 ( 0.000 5.306 -0.488) 5.328 8.875 ( 0.000 5.306 0.488) 5.328 9.051 ( 0.000 -0.160 -2.174) 2.180 9.051 ( 0.000 -0.160 2.174) 2.180 9.256 ( 0.000 5.240 -2.552) 5.828 9.256 ( 0.000 5.240 2.552) 5.828 9.389 ( 0.000 0.923 -3.186) 3.317 9.389 ( 0.000 0.923 3.186) 3.317 9.490 ( 0.000 -6.086 -6.903) 9.203 9.490 ( 0.000 -6.086 6.903) 9.203 9.745 ( 0.000 -0.040 -2.125) 2.125 9.745 ( 0.000 -0.040 2.125) 2.125 9.803 ( 0.000 -0.550 -1.783) 1.866 9.803 ( 0.000 -0.550 1.783) 1.866 9.994 ( 0.000 1.482 -1.429) 2.059 9.994 ( 0.000 1.482 1.429) 2.059 10.128 ( 0.000 1.026 -0.421) 1.109 10.128 ( 0.000 1.026 0.421) 1.109 10.858 ( 0.000 3.345 -11.802) 12.267 10.858 ( 0.000 3.345 11.802) 12.267 10.966 ( 0.000 -5.446 -12.225) 13.384 10.966 ( 0.000 -5.446 12.225) 13.384 12.579 ( 0.000 3.376 -16.397) 16.741 12.579 ( 0.000 3.376 16.397) 16.741 12.719 ( 0.000 -5.229 -15.970) 16.804 12.719 ( 0.000 -5.229 15.970) 16.804 13.491 ( 0.000 4.498 -2.547) 5.169 13.491 ( 0.000 4.498 2.547) 5.169 13.590 ( 0.000 -4.875 -2.890) 5.667 13.590 ( 0.000 -4.875 2.890) 5.667 13.831 ( 0.000 -0.154 -2.539) 2.544 13.831 ( 0.000 -0.154 2.539) 2.544 14.016 ( 0.000 1.285 -1.062) 1.668 14.016 ( 0.000 1.285 1.062) 1.668 14.471 ( 0.000 1.602 -5.692) 5.913 14.471 ( 0.000 1.602 5.692) 5.913 14.514 ( 0.000 -1.470 -7.200) 7.349 14.514 ( 0.000 -1.470 7.200) 7.349 14.672 ( 0.000 2.089 -3.022) 3.674 14.672 ( 0.000 2.089 3.022) 3.674 14.773 ( 0.000 -3.805 -5.408) 6.613 14.773 ( 0.000 -3.805 5.408) 6.613 14.842 ( 0.000 0.985 -3.511) 3.646 14.842 ( 0.000 0.985 3.511) 3.646 14.947 ( 0.000 -2.709 -1.667) 3.180 14.947 ( 0.000 -2.709 1.667) 3.180 15.361 ( 0.000 0.347 -2.347) 2.373 15.361 ( 0.000 0.347 2.347) 2.373 15.473 ( 0.000 -3.689 -4.149) 5.552 15.473 ( 0.000 -3.689 4.149) 5.552 15.657 ( 0.000 2.776 -1.701) 3.256 15.657 ( 0.000 2.776 1.701) 3.256 15.766 ( 0.000 -2.598 -2.474) 3.588 15.766 ( 0.000 -2.598 2.474) 3.588 19.492 ( 0.000 3.935 -2.341) 4.579 19.492 ( 0.000 3.935 2.341) 4.579 19.635 ( 0.000 -4.006 -1.709) 4.355 19.635 ( 0.000 -4.006 1.709) 4.355 20.299 ( 0.000 0.695 -5.516) 5.559 20.299 ( 0.000 0.695 5.516) 5.559 20.364 ( 0.000 -0.268 -4.953) 4.961 20.364 ( 0.000 -0.268 4.953) 4.961 21.945 ( 0.000 1.767 -8.846) 9.021 21.945 ( 0.000 1.767 8.846) 9.021 22.098 ( 0.000 -0.168 -7.911) 7.912 22.098 ( 0.000 -0.168 7.911) 7.912 26.618 ( 0.000 2.290 -0.989) 2.495 26.618 ( 0.000 2.290 0.989) 2.495 26.864 ( 0.000 -3.683 -1.710) 4.061 26.864 ( 0.000 -3.683 1.710) 4.061 27.365 ( 0.000 4.507 -11.408) 12.266 27.365 ( 0.000 4.507 11.408) 12.266 27.469 ( 0.000 -6.239 -9.951) 11.745 27.469 ( 0.000 -6.239 9.951) 11.745 28.095 ( 0.000 4.862 -1.851) 5.202 28.095 ( 0.000 4.862 1.851) 5.202 28.217 ( 0.000 -2.222 -5.967) 6.368 28.217 ( 0.000 -2.222 5.967) 6.368 28.638 ( 0.000 11.302 -2.718) 11.624 28.638 ( 0.000 11.302 2.718) 11.624 28.721 ( 0.000 6.683 -8.288) 10.646 28.721 ( 0.000 6.683 8.288) 10.646 28.806 ( 0.000 -7.952 -5.038) 9.414 28.806 ( 0.000 -7.952 5.038) 9.414 28.950 ( 0.000 -12.020 -0.176) 12.021 28.950 ( 0.000 -12.020 0.176) 12.021 29.560 ( 0.000 7.283 -9.454) 11.934 29.560 ( 0.000 7.283 9.454) 11.934 29.732 ( 0.000 -9.232 -7.966) 12.194 29.732 ( 0.000 -9.232 7.966) 12.194 30.155 ( 0.000 3.083 -0.756) 3.174 30.155 ( 0.000 3.083 0.756) 3.174 30.207 ( 0.000 -2.189 -0.599) 2.270 30.207 ( 0.000 -2.189 0.599) 2.270 30.552 ( 0.000 2.447 -1.991) 3.154 30.552 ( 0.000 2.447 1.991) 3.154 30.602 ( 0.000 -1.688 -2.093) 2.688 30.602 ( 0.000 -1.688 2.093) 2.688 31.553 ( 0.000 12.029 -2.163) 12.222 31.553 ( 0.000 12.029 2.163) 12.222 31.908 ( 0.000 -9.326 -3.037) 9.808 31.908 ( 0.000 -9.326 3.037) 9.808 ======================= Grid point 100 (34/36) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 2.729 4.615 -1.222) 5.499 1.150 ( 2.729 4.615 1.222) 5.499 1.238 ( 2.895 -1.647 -2.950) 4.449 1.238 ( 2.895 -1.647 2.950) 4.449 1.360 ( 2.000 0.874 -2.839) 3.582 1.360 ( 2.000 0.874 2.839) 3.582 1.462 ( 0.676 -1.355 -1.277) 1.981 1.462 ( 0.676 -1.355 1.277) 1.981 1.538 ( 2.458 0.645 -3.161) 4.056 1.538 ( 2.458 0.645 3.161) 4.056 1.580 ( 1.811 -1.461 -1.093) 2.570 1.580 ( 1.811 -1.461 1.093) 2.570 1.731 ( -0.720 6.733 -4.601) 8.187 1.731 ( -0.720 6.733 4.601) 8.187 1.852 ( -2.510 -3.792 -2.261) 5.079 1.852 ( -2.510 -3.792 2.261) 5.079 1.944 ( 0.667 0.046 -1.346) 1.503 1.944 ( 0.667 0.046 1.346) 1.503 2.038 ( 3.298 2.595 -1.425) 4.431 2.038 ( 3.298 2.595 1.425) 4.431 2.145 ( 0.041 2.369 -5.765) 6.233 2.145 ( 0.041 2.369 5.765) 6.233 2.216 ( -0.841 -2.703 -1.913) 3.417 2.216 ( -0.841 -2.703 1.913) 3.417 2.353 ( 5.717 1.776 -5.755) 8.304 2.353 ( 5.717 1.776 5.755) 8.304 2.463 ( -2.114 -3.156 -4.065) 5.564 2.463 ( -2.114 -3.156 4.065) 5.564 2.806 ( -0.334 10.365 -3.588) 10.974 2.806 ( -0.334 10.365 3.588) 10.974 2.998 ( 3.717 -6.365 -10.876) 13.138 2.998 ( 3.717 -6.365 10.876) 13.138 3.298 ( 9.442 2.619 -2.782) 10.186 3.298 ( 9.442 2.619 2.782) 10.186 3.512 ( 2.593 7.826 -2.916) 8.745 3.512 ( 2.593 7.826 2.916) 8.745 3.710 ( 8.407 5.921 -9.265) 13.841 3.710 ( 8.407 5.921 9.265) 13.841 3.994 ( 2.857 -12.197 -11.566) 17.050 3.994 ( 2.857 -12.197 11.566) 17.050 4.253 ( 3.073 5.802 -9.434) 11.494 4.253 ( 3.073 5.802 9.434) 11.494 4.423 ( 3.891 -6.481 -12.233) 14.380 4.423 ( 3.891 -6.481 12.233) 14.380 4.730 ( 10.860 3.805 -12.163) 16.743 4.730 ( 10.860 3.805 12.163) 16.743 4.977 ( 17.511 -7.833 -7.189) 20.486 4.977 ( 17.511 -7.833 7.189) 20.486 5.256 ( 2.896 3.834 -7.736) 9.107 5.256 ( 2.896 3.834 7.736) 9.107 5.350 ( 6.025 -5.314 -2.735) 8.486 5.350 ( 6.025 -5.314 2.735) 8.486 5.729 ( -3.338 -2.820 -1.736) 4.702 5.729 ( -3.338 -2.820 1.736) 4.702 5.863 ( -4.555 -1.630 -2.095) 5.272 5.863 ( -4.555 -1.630 2.095) 5.272 6.035 ( 0.808 1.151 -0.869) 1.653 6.035 ( 0.808 1.151 0.869) 1.653 6.296 ( -1.254 0.362 -0.518) 1.405 6.296 ( -1.254 0.362 0.518) 1.405 6.394 ( 0.226 8.318 -6.234) 10.398 6.394 ( 0.226 8.318 6.234) 10.398 6.666 ( -4.583 -4.223 -5.871) 8.562 6.666 ( -4.583 -4.223 5.871) 8.562 6.772 ( -1.509 -1.116 -7.459) 7.692 6.772 ( -1.509 -1.116 7.459) 7.692 6.899 ( 0.176 -5.213 -6.868) 8.624 6.899 ( 0.176 -5.213 6.868) 8.624 7.870 ( -8.736 2.560 -5.224) 10.496 7.870 ( -8.736 2.560 5.224) 10.496 7.925 ( -7.367 -2.199 -5.118) 9.236 7.925 ( -7.367 -2.199 5.118) 9.236 8.347 ( -7.405 7.030 -3.262) 10.719 8.347 ( -7.405 7.030 3.262) 10.719 8.546 ( -7.064 0.091 -2.223) 7.406 8.546 ( -7.064 0.091 2.223) 7.406 8.643 ( -4.929 -0.717 -4.151) 6.483 8.643 ( -4.929 -0.717 4.151) 6.483 8.881 ( -1.060 2.097 -1.622) 2.855 8.881 ( -1.060 2.097 1.622) 2.855 9.043 ( -0.454 0.653 -3.480) 3.570 9.043 ( -0.454 0.653 3.480) 3.570 9.237 ( -2.887 3.129 -2.277) 4.828 9.237 ( -2.887 3.129 2.277) 4.828 9.388 ( 0.208 -0.416 -2.245) 2.293 9.388 ( 0.208 -0.416 2.245) 2.293 9.472 ( -0.675 -4.351 -5.420) 6.983 9.472 ( -0.675 -4.351 5.420) 6.983 9.780 ( 1.741 2.431 -4.878) 5.721 9.780 ( 1.741 2.431 4.878) 5.721 9.827 ( 3.040 -2.095 -4.114) 5.528 9.827 ( 3.040 -2.095 4.114) 5.528 10.017 ( 2.004 0.331 -1.522) 2.538 10.017 ( 2.004 0.331 1.522) 2.538 10.152 ( 1.770 0.764 -0.960) 2.153 10.152 ( 1.770 0.764 0.960) 2.153 10.825 ( -2.671 2.046 -10.605) 11.126 10.825 ( -2.671 2.046 10.605) 11.126 10.916 ( -4.015 -3.607 -11.654) 12.843 10.916 ( -4.015 -3.607 11.654) 12.843 12.578 ( 0.245 4.694 -16.062) 16.736 12.578 ( 0.245 4.694 16.062) 16.736 12.712 ( -0.476 -5.748 -15.676) 16.704 12.712 ( -0.476 -5.748 15.676) 16.704 13.488 ( -0.254 5.051 -1.249) 5.209 13.488 ( -0.254 5.051 1.249) 5.209 13.593 ( 0.231 -5.384 -2.741) 6.046 13.593 ( 0.231 -5.384 2.741) 6.046 13.910 ( 6.437 0.170 -1.746) 6.671 13.910 ( 6.437 0.170 1.746) 6.671 14.058 ( 3.312 1.012 -1.555) 3.796 14.058 ( 3.312 1.012 1.555) 3.796 14.467 ( -0.462 2.002 -4.537) 4.981 14.467 ( -0.462 2.002 4.537) 4.981 14.518 ( -0.402 -1.734 -4.894) 5.208 14.518 ( -0.402 -1.734 4.894) 5.208 14.663 ( -0.289 2.614 -2.057) 3.339 14.663 ( -0.289 2.614 2.057) 3.339 14.762 ( -1.479 -4.255 -5.279) 6.940 14.762 ( -1.479 -4.255 5.279) 6.940 14.828 ( -1.124 0.350 -2.864) 3.096 14.828 ( -1.124 0.350 2.864) 3.096 14.911 ( -2.207 -1.807 -1.947) 3.454 14.911 ( -2.207 -1.807 1.947) 3.454 15.388 ( 1.834 0.568 -2.020) 2.787 15.388 ( 1.834 0.568 2.020) 2.787 15.493 ( 0.966 -2.294 -2.700) 3.672 15.493 ( 0.966 -2.294 2.700) 3.672 15.690 ( 3.757 2.120 -1.640) 4.616 15.690 ( 3.757 2.120 1.640) 4.616 15.820 ( 4.582 -2.296 -3.354) 6.125 15.820 ( 4.582 -2.296 3.354) 6.125 19.484 ( -0.676 3.024 -2.354) 3.891 19.484 ( -0.676 3.024 2.354) 3.891 19.607 ( -2.517 -3.824 -1.695) 4.882 19.607 ( -2.517 -3.824 1.695) 4.882 20.310 ( 0.995 0.795 -4.939) 5.100 20.310 ( 0.995 0.795 4.939) 5.100 20.372 ( 0.648 -0.192 -4.401) 4.452 20.372 ( 0.648 -0.192 4.401) 4.452 21.938 ( -0.485 1.625 -8.970) 9.129 21.938 ( -0.485 1.625 8.970) 9.129 22.063 ( -3.010 -0.368 -8.488) 9.013 22.063 ( -3.010 -0.368 8.488) 9.013 26.624 ( 0.767 2.619 -3.662) 4.567 26.624 ( 0.767 2.619 3.662) 4.567 26.840 ( -2.159 -3.266 -3.979) 5.582 26.840 ( -2.159 -3.266 3.979) 5.582 27.429 ( 5.330 3.603 -10.365) 12.199 27.429 ( 5.330 3.603 10.365) 12.199 27.527 ( 4.989 -6.059 -8.468) 11.546 27.527 ( 4.989 -6.059 8.468) 11.546 28.063 ( -2.688 5.272 -1.798) 6.185 28.063 ( -2.688 5.272 1.798) 6.185 28.192 ( -2.534 -4.269 -4.861) 6.948 28.192 ( -2.534 -4.269 4.861) 6.948 28.601 ( -1.595 4.249 -9.696) 10.706 28.601 ( -1.595 4.249 9.696) 10.706 28.705 ( -4.559 -5.066 -7.371) 10.039 28.705 ( -4.559 -5.066 7.371) 10.039 28.843 ( 8.326 12.373 -3.176) 15.248 28.843 ( 8.326 12.373 3.176) 15.248 29.081 ( 7.877 -10.220 -1.032) 12.944 29.081 ( 7.877 -10.220 1.032) 12.944 29.536 ( -2.056 5.871 -9.445) 11.310 29.536 ( -2.056 5.871 9.445) 11.310 29.669 ( -5.407 -6.734 -8.198) 11.908 29.669 ( -5.407 -6.734 8.198) 11.908 30.164 ( 0.528 3.110 -2.449) 3.994 30.164 ( 0.528 3.110 2.449) 3.994 30.217 ( 0.634 -2.261 -2.468) 3.406 30.217 ( 0.634 -2.261 2.468) 3.406 30.562 ( 0.832 1.924 -1.929) 2.849 30.562 ( 0.832 1.924 1.929) 2.849 30.600 ( -0.113 -1.388 -2.906) 3.223 30.600 ( -0.113 -1.388 2.906) 3.223 31.559 ( 0.795 8.982 -2.429) 9.338 31.559 ( 0.795 8.982 2.429) 9.338 31.854 ( -4.597 -8.664 -3.224) 10.324 31.854 ( -4.597 -8.664 3.224) 10.324 ======================= Grid point 102 (35/36) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.736 2.424 -3.896) 6.594 1.118 ( -4.736 2.424 3.896) 6.594 1.232 ( -2.484 -3.823 -2.167) 5.048 1.232 ( -2.484 -3.823 2.167) 5.048 1.341 ( -1.814 -0.032 -2.218) 2.865 1.341 ( -1.814 -0.032 2.218) 2.865 1.448 ( -1.993 -0.677 -1.233) 2.439 1.448 ( -1.993 -0.677 1.233) 2.439 1.556 ( -0.883 -0.031 -4.001) 4.097 1.556 ( -0.883 -0.031 4.001) 4.097 1.587 ( -0.605 -2.983 -2.153) 3.728 1.587 ( -0.605 -2.983 2.153) 3.728 1.743 ( 2.504 1.389 -2.772) 3.985 1.743 ( 2.504 1.389 2.772) 3.985 1.834 ( -0.561 -1.403 -2.149) 2.627 1.834 ( -0.561 -1.403 2.149) 2.627 1.965 ( 0.592 0.103 -3.306) 3.361 1.965 ( 0.592 0.103 3.306) 3.361 2.049 ( -2.043 -0.133 -1.459) 2.514 2.049 ( -2.043 -0.133 1.459) 2.514 2.169 ( 1.378 1.641 -5.746) 6.133 2.169 ( 1.378 1.641 5.746) 6.133 2.220 ( 0.559 -2.073 -4.465) 4.954 2.220 ( 0.559 -2.073 4.465) 4.954 2.339 ( -1.371 0.036 -2.726) 3.052 2.339 ( -1.371 0.036 2.726) 3.052 2.461 ( -3.198 -2.969 -1.763) 4.706 2.461 ( -3.198 -2.969 1.763) 4.706 2.760 ( -0.275 3.536 -1.687) 3.927 2.760 ( -0.275 3.536 1.687) 3.927 2.897 ( -6.809 -7.751 -4.699) 11.337 2.897 ( -6.809 -7.751 4.699) 11.337 3.637 ( 14.850 11.329 -4.806) 19.287 3.637 ( 14.850 11.329 4.806) 19.287 3.747 ( 11.845 1.032 -6.238) 13.427 3.747 ( 11.845 1.032 6.238) 13.427 3.993 ( 15.216 -0.192 -3.449) 15.603 3.993 ( 15.216 -0.192 3.449) 15.603 4.109 ( 6.282 -0.224 -7.640) 9.893 4.109 ( 6.282 -0.224 7.640) 9.893 4.411 ( 11.036 5.477 -9.802) 15.744 4.411 ( 11.036 5.477 9.802) 15.744 4.519 ( 6.706 -1.636 -11.193) 13.150 4.519 ( 6.706 -1.636 11.193) 13.150 4.948 ( 10.205 0.644 -8.257) 13.143 4.948 ( 10.205 0.644 8.257) 13.143 5.229 ( 0.567 -0.404 -3.839) 3.901 5.229 ( 0.567 -0.404 3.839) 3.901 5.352 ( 11.431 2.904 -8.554) 14.570 5.352 ( 11.431 2.904 8.554) 14.570 5.538 ( 5.752 -2.355 -5.463) 8.275 5.538 ( 5.752 -2.355 5.463) 8.275 5.683 ( 0.901 -1.819 -3.333) 3.902 5.683 ( 0.901 -1.819 3.333) 3.902 5.781 ( -0.929 -3.895 -3.405) 5.257 5.781 ( -0.929 -3.895 3.405) 5.257 6.057 ( 1.629 0.397 -1.532) 2.271 6.057 ( 1.629 0.397 1.532) 2.271 6.241 ( -4.811 0.277 -1.142) 4.952 6.241 ( -4.811 0.277 1.142) 4.952 6.395 ( -0.044 8.045 -3.160) 8.643 6.395 ( -0.044 8.045 3.160) 8.643 6.560 ( -5.041 -0.630 -2.578) 5.697 6.560 ( -5.041 -0.630 2.578) 5.697 6.745 ( -0.105 -3.985 -8.587) 9.467 6.745 ( -0.105 -3.985 8.587) 9.467 6.882 ( -2.593 -5.400 -6.448) 8.801 6.882 ( -2.593 -5.400 6.448) 8.801 7.587 ( -15.639 3.282 -2.809) 16.225 7.587 ( -15.639 3.282 2.809) 16.225 7.644 ( -16.498 -2.259 -2.444) 16.831 7.644 ( -16.498 -2.259 2.444) 16.831 8.251 ( -0.842 1.661 -7.477) 7.705 8.251 ( -0.842 1.661 7.477) 7.705 8.397 ( -6.423 -1.997 -4.990) 8.375 8.397 ( -6.423 -1.997 4.990) 8.375 8.608 ( 0.738 4.522 -6.673) 8.094 8.608 ( 0.738 4.522 6.673) 8.094 8.815 ( -4.616 -3.059 -2.900) 6.251 8.815 ( -4.616 -3.059 2.900) 6.251 9.036 ( -0.198 3.172 -4.092) 5.182 9.036 ( -0.198 3.172 4.092) 5.182 9.157 ( -3.806 0.500 -2.603) 4.638 9.157 ( -3.806 0.500 2.603) 4.638 9.399 ( 1.286 -2.088 -0.777) 2.572 9.399 ( 1.286 -2.088 0.777) 2.572 9.471 ( -0.296 -1.440 -2.081) 2.548 9.471 ( -0.296 -1.440 2.081) 2.548 9.823 ( 2.615 1.123 -4.846) 5.620 9.823 ( 2.615 1.123 4.846) 5.620 9.885 ( 1.373 -2.619 -4.379) 5.284 9.885 ( 1.373 -2.619 4.379) 5.284 10.074 ( 3.398 -0.042 -1.492) 3.712 10.074 ( 3.398 -0.042 1.492) 3.712 10.175 ( 0.023 0.098 -1.216) 1.220 10.175 ( 0.023 0.098 1.216) 1.220 10.777 ( -1.403 0.838 -8.360) 8.518 10.777 ( -1.403 0.838 8.360) 8.518 10.832 ( -3.496 -1.245 -9.464) 10.165 10.832 ( -3.496 -1.245 9.464) 10.165 12.600 ( 1.824 5.018 -12.954) 14.012 12.600 ( 1.824 5.018 12.954) 14.012 12.699 ( -0.909 -4.346 -12.634) 13.391 12.699 ( -0.909 -4.346 12.634) 13.391 13.482 ( -0.249 5.653 -1.557) 5.869 13.482 ( -0.249 5.653 1.557) 5.869 13.597 ( 0.090 -5.845 -2.251) 6.264 13.597 ( 0.090 -5.845 2.251) 6.264 14.049 ( 5.976 0.488 -2.847) 6.637 14.049 ( 5.976 0.488 2.847) 6.637 14.121 ( 2.208 0.200 -2.088) 3.046 14.121 ( 2.208 0.200 2.088) 3.046 14.449 ( -1.125 1.697 -2.991) 3.618 14.449 ( -1.125 1.697 2.991) 3.618 14.484 ( -2.503 -0.426 -2.062) 3.271 14.484 ( -2.503 -0.426 2.062) 3.271 14.653 ( -0.764 2.196 -1.326) 2.677 14.653 ( -0.764 2.196 1.326) 2.677 14.729 ( -1.778 -2.977 -2.644) 4.360 14.729 ( -1.778 -2.977 2.644) 4.360 14.810 ( 0.551 -1.545 -0.724) 1.793 14.810 ( 0.551 -1.545 0.724) 1.793 14.883 ( -0.973 -0.755 -0.421) 1.302 14.883 ( -0.973 -0.755 0.421) 1.302 15.418 ( 1.006 1.726 -1.072) 2.267 15.418 ( 1.006 1.726 1.072) 2.267 15.492 ( -0.712 -1.571 -1.318) 2.171 15.492 ( -0.712 -1.571 1.318) 2.171 15.809 ( 6.484 1.290 -3.246) 7.365 15.809 ( 6.484 1.290 3.246) 7.365 15.910 ( 2.901 -1.076 -3.577) 4.730 15.910 ( 2.901 -1.076 3.577) 4.730 19.472 ( -0.226 1.151 -1.860) 2.199 19.472 ( -0.226 1.151 1.860) 2.199 19.544 ( -3.119 -3.043 -1.422) 4.584 19.544 ( -3.119 -3.043 1.422) 4.584 20.336 ( 1.338 1.217 -3.740) 4.154 20.336 ( 1.338 1.217 3.740) 4.154 20.383 ( 0.208 -0.303 -3.388) 3.408 20.383 ( 0.208 -0.303 3.388) 3.408 21.932 ( 0.057 1.039 -9.433) 9.490 21.932 ( 0.057 1.039 9.433) 9.490 21.995 ( -3.001 -0.468 -9.376) 9.856 21.995 ( -3.001 -0.468 9.376) 9.856 26.656 ( 2.295 2.281 -6.537) 7.294 26.656 ( 2.295 2.281 6.537) 7.294 26.784 ( -3.049 -1.797 -6.936) 7.787 26.784 ( -3.049 -1.797 6.936) 7.787 27.549 ( 5.565 2.421 -6.628) 8.987 27.549 ( 5.565 2.421 6.628) 8.987 27.636 ( 4.215 -4.833 -4.421) 7.789 27.636 ( 4.215 -4.833 4.421) 7.789 28.010 ( -1.611 3.341 -3.504) 5.102 28.010 ( -1.611 3.341 3.504) 5.102 28.114 ( -4.528 -6.203 -1.720) 7.870 28.114 ( -4.528 -6.203 1.720) 7.870 28.588 ( 0.369 0.653 -8.741) 8.773 28.588 ( 0.369 0.653 8.741) 8.773 28.643 ( -1.739 -1.365 -6.733) 7.087 28.643 ( -1.739 -1.365 6.733) 7.087 29.032 ( 9.063 13.146 -1.571) 16.045 29.032 ( 9.063 13.146 1.571) 16.045 29.207 ( 3.396 -3.512 -1.365) 5.072 29.207 ( 3.396 -3.512 1.365) 5.072 29.488 ( -2.200 2.667 -9.292) 9.914 29.488 ( -2.200 2.667 9.292) 9.914 29.543 ( -5.777 -2.629 -8.708) 10.776 29.543 ( -5.777 -2.629 8.708) 10.776 30.175 ( 0.702 1.544 -2.509) 3.028 30.175 ( 0.702 1.544 2.509) 3.028 30.220 ( -0.523 -2.607 -3.168) 4.136 30.220 ( -0.523 -2.607 3.168) 4.136 30.580 ( 0.740 1.025 -3.668) 3.880 30.580 ( 0.740 1.025 3.668) 3.880 30.597 ( -0.209 -0.650 -4.838) 4.886 30.597 ( -0.209 -0.650 4.838) 4.886 31.593 ( 2.466 3.005 -4.662) 6.070 31.593 ( 2.466 3.005 4.662) 6.070 31.748 ( -4.968 -6.179 -4.502) 9.117 31.748 ( -4.968 -6.179 4.502) 9.117 ======================= Grid point 104 (36/36) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 -3.903 0.000) 3.903 1.095 ( 0.000 -3.903 0.000) 3.903 1.122 ( 0.000 -6.807 -0.000) 6.807 1.122 ( 0.000 -6.807 0.000) 6.807 1.362 ( 0.000 1.133 0.000) 1.133 1.362 ( 0.000 1.133 0.000) 1.133 1.395 ( 0.000 -2.121 -0.000) 2.121 1.395 ( 0.000 -2.121 0.000) 2.121 1.544 ( 0.000 1.072 -0.000) 1.072 1.544 ( 0.000 1.072 0.000) 1.072 1.580 ( 0.000 -2.679 0.000) 2.679 1.580 ( 0.000 -2.679 0.000) 2.679 1.797 ( -0.000 0.677 0.000) 0.677 1.797 ( 0.000 0.677 0.000) 0.677 1.813 ( 0.000 -0.986 0.000) 0.986 1.813 ( 0.000 -0.986 0.000) 0.986 1.961 ( 0.000 2.314 0.000) 2.314 1.961 ( 0.000 2.314 0.000) 2.314 2.017 ( 0.000 -2.792 0.000) 2.792 2.017 ( 0.000 -2.792 0.000) 2.792 2.177 ( 0.000 1.308 -0.000) 1.308 2.177 ( 0.000 1.308 0.000) 1.308 2.223 ( 0.000 -2.322 0.000) 2.322 2.223 ( 0.000 -2.322 0.000) 2.322 2.372 ( -0.000 -1.760 -0.000) 1.760 2.372 ( -0.000 -1.760 0.000) 1.760 2.375 ( 0.000 -1.608 -0.000) 1.608 2.375 ( 0.000 -1.608 0.000) 1.608 2.770 ( 0.000 0.110 -0.000) 0.110 2.770 ( 0.000 0.110 0.000) 0.110 2.825 ( 0.000 -4.584 0.000) 4.584 2.825 ( 0.000 -4.584 0.000) 4.584 3.802 ( 0.000 7.409 -0.000) 7.409 3.802 ( 0.000 7.409 0.000) 7.409 3.854 ( 0.000 0.744 -0.000) 0.744 3.854 ( 0.000 0.744 0.000) 0.744 4.165 ( 0.000 4.397 -0.000) 4.397 4.165 ( 0.000 4.397 0.000) 4.397 4.202 ( 0.000 2.178 -0.000) 2.178 4.202 ( 0.000 2.178 0.000) 2.178 4.515 ( 0.000 7.004 -0.000) 7.004 4.515 ( 0.000 7.004 0.000) 7.004 4.634 ( 0.000 -4.705 -0.000) 4.705 4.634 ( 0.000 -4.705 0.000) 4.705 5.162 ( -0.000 4.137 -0.000) 4.137 5.162 ( 0.000 4.137 0.000) 4.137 5.218 ( -0.000 -1.698 -0.000) 1.698 5.218 ( 0.000 -1.698 0.000) 1.698 5.448 ( 0.000 4.476 -0.000) 4.476 5.448 ( 0.000 4.476 0.000) 4.476 5.512 ( 0.000 -0.108 -0.000) 0.108 5.512 ( 0.000 -0.108 0.000) 0.108 5.782 ( -0.000 -2.453 -0.000) 2.453 5.782 ( -0.000 -2.453 0.000) 2.453 5.801 ( 0.000 -3.650 -0.000) 3.650 5.801 ( 0.000 -3.650 0.000) 3.650 6.104 ( 0.000 1.713 -0.000) 1.713 6.104 ( 0.000 1.713 0.000) 1.713 6.132 ( 0.000 -1.574 0.000) 1.574 6.132 ( 0.000 -1.574 0.000) 1.574 6.401 ( 0.000 6.436 -0.000) 6.436 6.401 ( 0.000 6.436 0.000) 6.436 6.487 ( 0.000 -0.891 0.000) 0.891 6.487 ( 0.000 -0.891 0.000) 0.891 6.790 ( -0.000 -4.865 -0.000) 4.865 6.790 ( -0.000 -4.865 0.000) 4.865 6.794 ( 0.000 -3.421 -0.000) 3.421 6.794 ( 0.000 -3.421 0.000) 3.421 7.393 ( 0.000 2.094 0.000) 2.094 7.393 ( 0.000 2.094 0.000) 2.094 7.434 ( 0.000 -1.741 0.000) 1.741 7.434 ( 0.000 -1.741 0.000) 1.741 8.285 ( -0.000 -0.815 -0.000) 0.815 8.285 ( -0.000 -0.815 0.000) 0.815 8.290 ( -0.000 -0.788 -0.000) 0.788 8.290 ( 0.000 -0.788 0.000) 0.788 8.633 ( 0.000 5.596 0.000) 5.596 8.633 ( 0.000 5.596 0.000) 5.596 8.745 ( 0.000 -5.243 0.000) 5.243 8.745 ( 0.000 -5.243 0.000) 5.243 9.036 ( 0.000 5.333 0.000) 5.333 9.036 ( 0.000 5.333 0.000) 5.333 9.110 ( 0.000 -2.252 0.000) 2.252 9.110 ( 0.000 -2.252 0.000) 2.252 9.433 ( -0.000 -0.437 -0.000) 0.437 9.433 ( 0.000 -0.437 0.000) 0.437 9.450 ( 0.000 -1.882 0.000) 1.882 9.450 ( 0.000 -1.882 0.000) 1.882 9.874 ( 0.000 -1.606 -0.000) 1.606 9.874 ( 0.000 -1.606 0.000) 1.606 9.877 ( -0.000 -2.106 -0.000) 2.106 9.877 ( 0.000 -2.106 0.000) 2.106 10.136 ( -0.000 0.872 -0.000) 0.872 10.136 ( 0.000 0.872 0.000) 0.872 10.153 ( 0.000 -0.752 -0.000) 0.752 10.153 ( 0.000 -0.752 0.000) 0.752 10.770 ( 0.000 0.977 -0.000) 0.977 10.770 ( 0.000 0.977 -0.000) 0.977 10.787 ( 0.000 -0.766 0.000) 0.766 10.787 ( 0.000 -0.766 0.000) 0.766 12.632 ( 0.000 3.199 -0.000) 3.199 12.632 ( 0.000 3.199 0.000) 3.199 12.680 ( 0.000 -1.595 -0.000) 1.595 12.680 ( 0.000 -1.595 0.000) 1.595 13.479 ( 0.000 5.831 0.000) 5.831 13.479 ( 0.000 5.831 0.000) 5.831 13.597 ( 0.000 -6.090 0.000) 6.090 13.597 ( 0.000 -6.090 0.000) 6.090 14.128 ( -0.000 0.605 -0.000) 0.605 14.128 ( 0.000 0.605 0.000) 0.605 14.136 ( 0.000 -0.160 -0.000) 0.160 14.136 ( 0.000 -0.160 0.000) 0.160 14.440 ( -0.000 1.109 -0.000) 1.109 14.440 ( -0.000 1.109 0.000) 1.109 14.442 ( 0.000 0.484 -0.000) 0.484 14.442 ( 0.000 0.484 0.000) 0.484 14.653 ( 0.000 1.457 -0.000) 1.457 14.653 ( 0.000 1.457 0.000) 1.457 14.692 ( 0.000 -1.974 0.000) 1.974 14.692 ( 0.000 -1.974 0.000) 1.974 14.843 ( 0.000 -0.528 -0.000) 0.528 14.843 ( 0.000 -0.528 -0.000) 0.528 14.856 ( 0.000 -1.986 0.000) 1.986 14.856 ( 0.000 -1.986 0.000) 1.986 15.429 ( 0.000 3.002 0.000) 3.002 15.429 ( 0.000 3.002 0.000) 3.002 15.482 ( 0.000 -2.251 -0.000) 2.251 15.482 ( 0.000 -2.251 0.000) 2.251 15.910 ( -0.000 0.605 -0.000) 0.605 15.910 ( 0.000 0.605 -0.000) 0.605 15.916 ( -0.000 0.015 0.000) 0.015 15.916 ( 0.000 0.015 0.000) 0.015 19.478 ( 0.000 -0.056 -0.000) 0.056 19.478 ( 0.000 -0.056 0.000) 0.056 19.499 ( 0.000 -2.241 0.000) 2.241 19.499 ( 0.000 -2.241 0.000) 2.241 20.354 ( 0.000 1.967 0.000) 1.967 20.354 ( 0.000 1.967 0.000) 1.967 20.382 ( 0.000 -0.913 -0.000) 0.913 20.382 ( 0.000 -0.913 0.000) 0.913 21.943 ( 0.000 0.585 -0.000) 0.585 21.943 ( 0.000 0.585 0.000) 0.585 21.952 ( -0.000 -0.340 -0.000) 0.340 21.952 ( 0.000 -0.340 0.000) 0.340 26.706 ( 0.000 1.499 -0.000) 1.499 26.706 ( 0.000 1.499 0.000) 1.499 26.727 ( 0.000 -0.545 -0.000) 0.545 26.727 ( 0.000 -0.545 0.000) 0.545 27.625 ( 0.000 1.896 -0.000) 1.896 27.625 ( 0.000 1.896 0.000) 1.896 27.671 ( 0.000 -2.424 0.000) 2.424 27.671 ( 0.000 -2.424 0.000) 2.424 28.015 ( 0.000 -2.143 -0.000) 2.143 28.015 ( 0.000 -2.143 0.000) 2.143 28.037 ( 0.000 -3.979 0.000) 3.979 28.037 ( 0.000 -3.979 0.000) 3.979 28.603 ( 0.000 0.562 -0.000) 0.562 28.603 ( 0.000 0.562 0.000) 0.562 28.618 ( 0.000 -0.890 -0.000) 0.890 28.618 ( 0.000 -0.890 0.000) 0.890 29.183 ( -0.000 8.095 0.000) 8.095 29.183 ( 0.000 8.095 0.000) 8.095 29.197 ( -0.000 6.937 0.000) 6.937 29.197 ( 0.000 6.937 0.000) 6.937 29.464 ( -0.000 -0.370 -0.000) 0.370 29.464 ( 0.000 -0.370 -0.000) 0.370 29.471 ( 0.000 -1.249 0.000) 1.249 29.471 ( 0.000 -1.249 0.000) 1.249 30.197 ( -0.000 -1.434 -0.000) 1.434 30.197 ( 0.000 -1.434 -0.000) 1.434 30.199 ( -0.000 -1.678 0.000) 1.678 30.199 ( 0.000 -1.678 0.000) 1.678 30.591 ( -0.000 0.206 -0.000) 0.206 30.591 ( 0.000 0.206 0.000) 0.206 30.591 ( 0.000 0.191 -0.000) 0.191 30.591 ( -0.000 0.191 0.000) 0.191 31.651 ( -0.000 -1.476 -0.000) 1.476 31.651 ( -0.000 -1.476 0.000) 1.476 31.664 ( 0.000 -2.798 -0.000) 2.798 31.664 ( 0.000 -2.798 0.000) 2.798 =================== 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 3/21600 10.0 11.892 17.062 7.907 0.000 0.000 0.000 3/21600 20.0 2.727 3.132 2.011 0.000 0.000 0.000 3/21600 30.0 1.617 1.637 1.199 0.000 0.000 0.000 3/21600 40.0 1.282 1.188 0.979 0.000 0.000 0.000 3/21600 50.0 1.142 0.990 0.901 0.000 0.000 0.000 3/21600 60.0 1.061 0.876 0.864 0.000 0.000 0.000 3/21600 70.0 1.001 0.797 0.841 0.000 0.000 0.000 3/21600 80.0 0.949 0.735 0.824 0.000 0.000 0.000 3/21600 90.0 0.902 0.683 0.811 0.000 0.000 0.000 3/21600 100.0 0.857 0.639 0.800 0.000 0.000 0.000 3/21600 110.0 0.815 0.600 0.790 0.000 0.000 0.000 3/21600 120.0 0.776 0.565 0.779 0.000 0.000 0.000 3/21600 130.0 0.739 0.534 0.769 0.000 0.000 0.000 3/21600 140.0 0.705 0.506 0.758 0.000 0.000 0.000 3/21600 150.0 0.673 0.481 0.746 0.000 0.000 0.000 3/21600 160.0 0.644 0.458 0.734 0.000 0.000 0.000 3/21600 170.0 0.616 0.437 0.721 0.000 0.000 0.000 3/21600 180.0 0.591 0.418 0.709 0.000 0.000 0.000 3/21600 190.0 0.567 0.401 0.695 0.000 0.000 0.000 3/21600 200.0 0.546 0.385 0.682 0.000 0.000 0.000 3/21600 210.0 0.525 0.370 0.669 0.000 0.000 0.000 3/21600 220.0 0.507 0.357 0.656 0.000 0.000 0.000 3/21600 230.0 0.489 0.345 0.643 0.000 0.000 0.000 3/21600 240.0 0.473 0.333 0.631 0.000 0.000 0.000 3/21600 250.0 0.458 0.323 0.618 0.000 0.000 0.000 3/21600 260.0 0.443 0.313 0.606 0.000 0.000 0.000 3/21600 270.0 0.430 0.304 0.594 0.000 0.000 0.000 3/21600 280.0 0.417 0.295 0.583 0.000 0.000 0.000 3/21600 290.0 0.406 0.287 0.571 0.000 0.000 0.000 3/21600 300.0 0.394 0.279 0.560 0.000 0.000 0.000 3/21600 310.0 0.384 0.272 0.550 0.000 0.000 0.000 3/21600 320.0 0.374 0.266 0.539 0.000 0.000 0.000 3/21600 330.0 0.364 0.259 0.529 0.000 0.000 0.000 3/21600 340.0 0.356 0.253 0.519 0.000 0.000 0.000 3/21600 350.0 0.347 0.248 0.509 0.000 0.000 0.000 3/21600 360.0 0.339 0.242 0.500 0.000 0.000 0.000 3/21600 370.0 0.331 0.237 0.491 0.000 0.000 0.000 3/21600 380.0 0.324 0.232 0.482 0.000 0.000 0.000 3/21600 390.0 0.317 0.228 0.474 0.000 0.000 0.000 3/21600 400.0 0.310 0.223 0.465 0.000 0.000 0.000 3/21600 410.0 0.304 0.219 0.457 0.000 0.000 0.000 3/21600 420.0 0.297 0.215 0.449 0.000 0.000 0.000 3/21600 430.0 0.291 0.211 0.442 0.000 0.000 0.000 3/21600 440.0 0.286 0.207 0.434 0.000 0.000 0.000 3/21600 450.0 0.280 0.203 0.427 0.000 0.000 0.000 3/21600 460.0 0.275 0.200 0.420 0.000 0.000 0.000 3/21600 470.0 0.270 0.196 0.413 0.000 0.000 0.000 3/21600 480.0 0.265 0.193 0.407 0.000 0.000 0.000 3/21600 490.0 0.260 0.190 0.400 0.000 0.000 0.000 3/21600 500.0 0.256 0.186 0.394 0.000 0.000 0.000 3/21600 510.0 0.251 0.183 0.388 0.000 0.000 0.000 3/21600 520.0 0.247 0.181 0.382 0.000 0.000 0.000 3/21600 530.0 0.243 0.178 0.376 0.000 0.000 0.000 3/21600 540.0 0.239 0.175 0.371 0.000 0.000 0.000 3/21600 550.0 0.235 0.172 0.365 0.000 0.000 0.000 3/21600 560.0 0.231 0.170 0.360 0.000 0.000 0.000 3/21600 570.0 0.228 0.167 0.355 0.000 0.000 0.000 3/21600 580.0 0.224 0.165 0.350 0.000 0.000 0.000 3/21600 590.0 0.221 0.163 0.345 0.000 0.000 0.000 3/21600 600.0 0.218 0.160 0.340 0.000 0.000 0.000 3/21600 610.0 0.214 0.158 0.335 0.000 0.000 0.000 3/21600 620.0 0.211 0.156 0.331 0.000 0.000 0.000 3/21600 630.0 0.208 0.154 0.326 0.000 0.000 0.000 3/21600 640.0 0.205 0.152 0.322 0.000 0.000 0.000 3/21600 650.0 0.202 0.150 0.318 0.000 0.000 0.000 3/21600 660.0 0.200 0.148 0.314 0.000 0.000 0.000 3/21600 670.0 0.197 0.146 0.310 0.000 0.000 0.000 3/21600 680.0 0.194 0.144 0.306 0.000 0.000 0.000 3/21600 690.0 0.192 0.142 0.302 0.000 0.000 0.000 3/21600 700.0 0.189 0.140 0.298 0.000 0.000 0.000 3/21600 710.0 0.187 0.139 0.295 0.000 0.000 0.000 3/21600 720.0 0.184 0.137 0.291 0.000 0.000 0.000 3/21600 730.0 0.182 0.135 0.287 0.000 0.000 0.000 3/21600 740.0 0.180 0.134 0.284 0.000 0.000 0.000 3/21600 750.0 0.177 0.132 0.281 0.000 0.000 0.000 3/21600 760.0 0.175 0.131 0.277 0.000 0.000 0.000 3/21600 770.0 0.173 0.129 0.274 0.000 0.000 0.000 3/21600 780.0 0.171 0.128 0.271 0.000 0.000 0.000 3/21600 790.0 0.169 0.126 0.268 0.000 0.000 0.000 3/21600 800.0 0.167 0.125 0.265 0.000 0.000 0.000 3/21600 810.0 0.165 0.123 0.262 0.000 0.000 0.000 3/21600 820.0 0.163 0.122 0.259 0.000 0.000 0.000 3/21600 830.0 0.162 0.121 0.256 0.000 0.000 0.000 3/21600 840.0 0.160 0.119 0.254 0.000 0.000 0.000 3/21600 850.0 0.158 0.118 0.251 0.000 0.000 0.000 3/21600 860.0 0.156 0.117 0.248 0.000 0.000 0.000 3/21600 870.0 0.155 0.116 0.246 0.000 0.000 0.000 3/21600 880.0 0.153 0.115 0.243 0.000 0.000 0.000 3/21600 890.0 0.151 0.113 0.241 0.000 0.000 0.000 3/21600 900.0 0.150 0.112 0.238 0.000 0.000 0.000 3/21600 910.0 0.148 0.111 0.236 0.000 0.000 0.000 3/21600 920.0 0.147 0.110 0.233 0.000 0.000 0.000 3/21600 930.0 0.145 0.109 0.231 0.000 0.000 0.000 3/21600 940.0 0.144 0.108 0.229 0.000 0.000 0.000 3/21600 950.0 0.142 0.107 0.227 0.000 0.000 0.000 3/21600 960.0 0.141 0.106 0.225 0.000 0.000 0.000 3/21600 970.0 0.139 0.105 0.222 0.000 0.000 0.000 3/21600 980.0 0.138 0.104 0.220 0.000 0.000 0.000 3/21600 990.0 0.137 0.103 0.218 0.000 0.000 0.000 3/21600 1000.0 0.136 0.102 0.216 0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m654.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:19:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|