----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.850576635414862 -2.677343650000000 0.000000000000000 b 4.850576635414862 2.677343650000000 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): *1 Na 0.84554674898814 0.30734638249813 0.06612105573008 22.990 *2 Na 0.39075499214612 0.03722092341619 0.82439868534049 22.990 3 Na 0.96277907658381 0.60924500785388 0.67560131465951 22.990 4 Na 0.69265361750187 0.15445325101186 0.43387894426992 22.990 5 Na 0.15445325101186 0.69265361750187 0.93387894426992 22.990 6 Na 0.03722092341619 0.39075499214612 0.32439868534049 22.990 *7 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 8 Na 0.60924500785388 0.96277907658381 0.17560131465951 22.990 9 Na 0.30734638249813 0.84554674898814 0.56612105573008 22.990 10 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 *11 P 0.35430035930179 0.80828177734571 0.40073905104518 30.974 12 P 0.80828177734571 0.35430035930179 0.90073905104518 30.974 *13 P 0.39905236191060 0.60094763808940 0.25000000000000 30.974 14 P 0.60094763808940 0.39905236191060 0.75000000000000 30.974 15 P 0.19171822265429 0.64569964069821 0.09926094895482 30.974 16 P 0.64569964069821 0.19171822265429 0.59926094895482 30.974 *17 O 0.33374836614240 0.43538291569868 0.59718054666740 15.999 *18 O 0.76187088935504 0.15459493582451 0.68641452882408 15.999 *19 O 0.66854226580172 0.58293722996139 0.23350250231602 15.999 *20 O 0.74384144379398 0.16112124508745 0.93678155275038 15.999 *21 O 0.69327810374764 0.89827265310982 0.57569848753086 15.999 22 O 0.58293722996139 0.66854226580172 0.73350250231602 15.999 23 O 0.30672189625236 0.10172734689018 0.42430151246914 15.999 24 O 0.89827265310982 0.69327810374764 0.07569848753086 15.999 25 O 0.56461708430132 0.66625163385760 0.90281945333260 15.999 26 O 0.10172734689018 0.30672189625236 0.92430151246914 15.999 27 O 0.83887875491255 0.25615855620602 0.56321844724962 15.999 28 O 0.66625163385760 0.56461708430132 0.40281945333260 15.999 29 O 0.43538291569868 0.33374836614240 0.09718054666740 15.999 30 O 0.41706277003861 0.33145773419828 0.26649749768398 15.999 31 O 0.16112124508745 0.74384144379398 0.43678155275038 15.999 32 O 0.25615855620602 0.83887875491255 0.06321844724962 15.999 33 O 0.23812911064496 0.84540506417549 0.31358547117592 15.999 34 O 0.33145773419828 0.41706277003861 0.76649749768398 15.999 35 O 0.15459493582451 0.76187088935504 0.18641452882408 15.999 36 O 0.84540506417549 0.23812911064496 0.81358547117592 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.701153270829725 0.000000000000000 0.000000000000000 b 0.000000000000000 5.354687299999999 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): *1 Na 0.07644656574313 0.23089981675499 0.06612105573008 22.990 > 1 *2 Na 0.21398795778116 0.82323296563504 0.82439868534049 22.990 > 2 3 Na 0.28601204221884 0.32323296563504 0.67560131465951 22.990 > 3 4 Na 0.42355343425687 0.73089981675499 0.43387894426992 22.990 > 4 5 Na 0.42355343425687 0.26910018324501 0.93387894426992 22.990 > 5 6 Na 0.21398795778116 0.17676703436496 0.32439868534049 22.990 > 6 *7 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 7 8 Na 0.28601204221884 0.67676703436496 0.17560131465951 22.990 > 8 9 Na 0.07644656574313 0.76910018324501 0.56612105573008 22.990 > 9 10 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 10 11 Na 0.57644656574313 0.73089981675499 0.06612105573008 22.990 > 1 12 Na 0.71398795778116 0.32323296563504 0.82439868534049 22.990 > 2 13 Na 0.78601204221884 0.82323296563504 0.67560131465951 22.990 > 3 14 Na 0.92355343425687 0.23089981675499 0.43387894426992 22.990 > 4 15 Na 0.92355343425687 0.76910018324501 0.93387894426992 22.990 > 5 16 Na 0.71398795778116 0.67676703436496 0.32439868534049 22.990 > 6 17 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 7 18 Na 0.78601204221884 0.17676703436496 0.17560131465951 22.990 > 8 19 Na 0.57644656574313 0.26910018324501 0.56612105573008 22.990 > 9 20 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 10 *21 P 0.08129106832375 0.72699070902196 0.40073905104518 30.974 > 11 22 P 0.08129106832375 0.27300929097804 0.90073905104518 30.974 > 12 *23 P 0.00000000000000 0.60094763808940 0.25000000000000 30.974 > 13 24 P 0.00000000000000 0.39905236191060 0.75000000000000 30.974 > 14 25 P 0.41870893167625 0.22699070902196 0.09926094895482 30.974 > 15 26 P 0.41870893167625 0.77300929097804 0.59926094895482 30.974 > 16 27 P 0.58129106832375 0.22699070902196 0.40073905104518 30.974 > 11 28 P 0.58129106832375 0.77300929097804 0.90073905104518 30.974 > 12 29 P 0.50000000000000 0.10094763808941 0.25000000000000 30.974 > 13 30 P 0.50000000000000 0.89905236191060 0.75000000000000 30.974 > 14 31 P 0.91870893167625 0.72699070902196 0.09926094895482 30.974 > 15 32 P 0.91870893167625 0.27300929097804 0.59926094895482 30.974 > 16 *33 O 0.38456564092054 0.05081727477814 0.59718054666740 15.999 > 17 *34 O 0.45823291258977 0.69636202323473 0.68641452882408 15.999 > 18 *35 O 0.12573974788156 0.45719748207984 0.23350250231602 15.999 > 19 *36 O 0.45248134444072 0.70863990064673 0.93678155275038 15.999 > 20 *37 O 0.29577537842873 0.60249727468109 0.57569848753086 15.999 > 21 38 O 0.12573974788156 0.54280251792016 0.73350250231602 15.999 > 22 39 O 0.20422462157127 0.89750272531891 0.42430151246914 15.999 > 23 40 O 0.29577537842873 0.39750272531891 0.07569848753086 15.999 > 24 41 O 0.11543435907946 0.55081727477814 0.90281945333260 15.999 > 25 42 O 0.20422462157127 0.10249727468109 0.92430151246914 15.999 > 26 43 O 0.04751865555928 0.20863990064673 0.56321844724962 15.999 > 27 44 O 0.11543435907946 0.44918272522186 0.40281945333260 15.999 > 28 45 O 0.38456564092054 0.94918272522186 0.09718054666740 15.999 > 29 46 O 0.37426025211844 0.95719748207984 0.26649749768398 15.999 > 30 47 O 0.45248134444072 0.29136009935327 0.43678155275038 15.999 > 31 48 O 0.04751865555928 0.79136009935327 0.06321844724962 15.999 > 32 49 O 0.04176708741023 0.80363797676527 0.31358547117592 15.999 > 33 50 O 0.37426025211844 0.04280251792016 0.76649749768398 15.999 > 34 51 O 0.45823291258977 0.30363797676526 0.18641452882408 15.999 > 35 52 O 0.04176708741023 0.19636202323474 0.81358547117592 15.999 > 36 53 O 0.88456564092054 0.55081727477814 0.59718054666740 15.999 > 17 54 O 0.95823291258977 0.19636202323474 0.68641452882408 15.999 > 18 55 O 0.62573974788155 0.95719748207984 0.23350250231602 15.999 > 19 56 O 0.95248134444072 0.20863990064673 0.93678155275038 15.999 > 20 57 O 0.79577537842873 0.10249727468109 0.57569848753086 15.999 > 21 58 O 0.62573974788155 0.04280251792016 0.73350250231602 15.999 > 22 59 O 0.70422462157127 0.39750272531891 0.42430151246914 15.999 > 23 60 O 0.79577537842873 0.89750272531891 0.07569848753086 15.999 > 24 61 O 0.61543435907946 0.05081727477814 0.90281945333260 15.999 > 25 62 O 0.70422462157127 0.60249727468109 0.92430151246914 15.999 > 26 63 O 0.54751865555928 0.70863990064673 0.56321844724962 15.999 > 27 64 O 0.61543435907946 0.94918272522186 0.40281945333260 15.999 > 28 65 O 0.88456564092054 0.44918272522186 0.09718054666740 15.999 > 29 66 O 0.87426025211845 0.45719748207984 0.26649749768398 15.999 > 30 67 O 0.95248134444072 0.79136009935327 0.43678155275038 15.999 > 31 68 O 0.54751865555928 0.29136009935327 0.06321844724962 15.999 > 32 69 O 0.54176708741023 0.30363797676526 0.31358547117592 15.999 > 33 70 O 0.87426025211845 0.54280251792016 0.76649749768398 15.999 > 34 71 O 0.95823291258977 0.80363797676527 0.18641452882408 15.999 > 35 72 O 0.54176708741023 0.69636202323473 0.81358547117592 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.701153270829725 0.000000000000000 0.000000000000000 b 0.000000000000000 10.709374599999999 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): *1 Na 0.07644656574313 0.11544990837750 0.06612105573008 22.990 > 1 2 Na 0.07644656574313 0.61544990837750 0.06612105573008 22.990 > 1 *3 Na 0.21398795778116 0.41161648281752 0.82439868534049 22.990 > 2 4 Na 0.21398795778116 0.91161648281752 0.82439868534049 22.990 > 2 5 Na 0.28601204221884 0.16161648281752 0.67560131465951 22.990 > 3 6 Na 0.28601204221884 0.66161648281752 0.67560131465951 22.990 > 3 7 Na 0.42355343425687 0.36544990837750 0.43387894426992 22.990 > 4 8 Na 0.42355343425687 0.86544990837750 0.43387894426992 22.990 > 4 9 Na 0.42355343425687 0.13455009162250 0.93387894426992 22.990 > 5 10 Na 0.42355343425687 0.63455009162250 0.93387894426992 22.990 > 5 11 Na 0.21398795778116 0.08838351718248 0.32439868534049 22.990 > 6 12 Na 0.21398795778116 0.58838351718248 0.32439868534049 22.990 > 6 *13 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 7 14 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 7 15 Na 0.28601204221884 0.33838351718248 0.17560131465951 22.990 > 8 16 Na 0.28601204221884 0.83838351718248 0.17560131465951 22.990 > 8 17 Na 0.07644656574313 0.38455009162250 0.56612105573008 22.990 > 9 18 Na 0.07644656574313 0.88455009162250 0.56612105573008 22.990 > 9 19 Na 0.25000000000000 0.12500000000000 0.50000000000000 22.990 > 10 20 Na 0.25000000000000 0.62500000000000 0.50000000000000 22.990 > 10 21 Na 0.57644656574313 0.36544990837750 0.06612105573008 22.990 > 1 22 Na 0.57644656574313 0.86544990837750 0.06612105573008 22.990 > 1 23 Na 0.71398795778116 0.16161648281752 0.82439868534049 22.990 > 2 24 Na 0.71398795778116 0.66161648281752 0.82439868534049 22.990 > 2 25 Na 0.78601204221884 0.41161648281752 0.67560131465951 22.990 > 3 26 Na 0.78601204221884 0.91161648281752 0.67560131465951 22.990 > 3 27 Na 0.92355343425687 0.11544990837750 0.43387894426992 22.990 > 4 28 Na 0.92355343425687 0.61544990837750 0.43387894426992 22.990 > 4 29 Na 0.92355343425687 0.38455009162250 0.93387894426992 22.990 > 5 30 Na 0.92355343425687 0.88455009162250 0.93387894426992 22.990 > 5 31 Na 0.71398795778116 0.33838351718248 0.32439868534049 22.990 > 6 32 Na 0.71398795778116 0.83838351718248 0.32439868534049 22.990 > 6 33 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 7 34 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 7 35 Na 0.78601204221884 0.08838351718248 0.17560131465951 22.990 > 8 36 Na 0.78601204221884 0.58838351718248 0.17560131465951 22.990 > 8 37 Na 0.57644656574313 0.13455009162250 0.56612105573008 22.990 > 9 38 Na 0.57644656574313 0.63455009162250 0.56612105573008 22.990 > 9 39 Na 0.75000000000000 0.37500000000000 0.50000000000000 22.990 > 10 40 Na 0.75000000000000 0.87500000000000 0.50000000000000 22.990 > 10 *41 P 0.08129106832375 0.36349535451098 0.40073905104518 30.974 > 11 42 P 0.08129106832375 0.86349535451098 0.40073905104518 30.974 > 11 43 P 0.08129106832375 0.13650464548902 0.90073905104518 30.974 > 12 44 P 0.08129106832375 0.63650464548902 0.90073905104518 30.974 > 12 *45 P 0.00000000000000 0.30047381904470 0.25000000000000 30.974 > 13 46 P 0.00000000000000 0.80047381904470 0.25000000000000 30.974 > 13 47 P 0.00000000000000 0.19952618095530 0.75000000000000 30.974 > 14 48 P 0.00000000000000 0.69952618095530 0.75000000000000 30.974 > 14 49 P 0.41870893167625 0.11349535451098 0.09926094895482 30.974 > 15 50 P 0.41870893167625 0.61349535451098 0.09926094895482 30.974 > 15 51 P 0.41870893167625 0.38650464548902 0.59926094895482 30.974 > 16 52 P 0.41870893167625 0.88650464548902 0.59926094895482 30.974 > 16 53 P 0.58129106832375 0.11349535451098 0.40073905104518 30.974 > 11 54 P 0.58129106832375 0.61349535451098 0.40073905104518 30.974 > 11 55 P 0.58129106832375 0.38650464548902 0.90073905104518 30.974 > 12 56 P 0.58129106832375 0.88650464548902 0.90073905104518 30.974 > 12 57 P 0.50000000000000 0.05047381904470 0.25000000000000 30.974 > 13 58 P 0.50000000000000 0.55047381904470 0.25000000000000 30.974 > 13 59 P 0.50000000000000 0.44952618095530 0.75000000000000 30.974 > 14 60 P 0.50000000000000 0.94952618095530 0.75000000000000 30.974 > 14 61 P 0.91870893167625 0.36349535451098 0.09926094895482 30.974 > 15 62 P 0.91870893167625 0.86349535451098 0.09926094895482 30.974 > 15 63 P 0.91870893167625 0.13650464548902 0.59926094895482 30.974 > 16 64 P 0.91870893167625 0.63650464548902 0.59926094895482 30.974 > 16 *65 O 0.38456564092054 0.02540863738907 0.59718054666740 15.999 > 17 66 O 0.38456564092054 0.52540863738907 0.59718054666740 15.999 > 17 *67 O 0.45823291258977 0.34818101161737 0.68641452882408 15.999 > 18 68 O 0.45823291258977 0.84818101161737 0.68641452882408 15.999 > 18 *69 O 0.12573974788156 0.22859874103992 0.23350250231602 15.999 > 19 70 O 0.12573974788156 0.72859874103992 0.23350250231602 15.999 > 19 *71 O 0.45248134444072 0.35431995032337 0.93678155275038 15.999 > 20 72 O 0.45248134444072 0.85431995032337 0.93678155275038 15.999 > 20 *73 O 0.29577537842873 0.30124863734054 0.57569848753086 15.999 > 21 74 O 0.29577537842873 0.80124863734054 0.57569848753086 15.999 > 21 75 O 0.12573974788156 0.27140125896008 0.73350250231602 15.999 > 22 76 O 0.12573974788156 0.77140125896008 0.73350250231602 15.999 > 22 77 O 0.20422462157127 0.44875136265946 0.42430151246914 15.999 > 23 78 O 0.20422462157127 0.94875136265946 0.42430151246914 15.999 > 23 79 O 0.29577537842873 0.19875136265946 0.07569848753086 15.999 > 24 80 O 0.29577537842873 0.69875136265946 0.07569848753086 15.999 > 24 81 O 0.11543435907946 0.27540863738907 0.90281945333260 15.999 > 25 82 O 0.11543435907946 0.77540863738907 0.90281945333260 15.999 > 25 83 O 0.20422462157127 0.05124863734054 0.92430151246914 15.999 > 26 84 O 0.20422462157127 0.55124863734054 0.92430151246914 15.999 > 26 85 O 0.04751865555928 0.10431995032337 0.56321844724962 15.999 > 27 86 O 0.04751865555928 0.60431995032337 0.56321844724962 15.999 > 27 87 O 0.11543435907946 0.22459136261093 0.40281945333260 15.999 > 28 88 O 0.11543435907946 0.72459136261093 0.40281945333260 15.999 > 28 89 O 0.38456564092054 0.47459136261093 0.09718054666740 15.999 > 29 90 O 0.38456564092054 0.97459136261093 0.09718054666740 15.999 > 29 91 O 0.37426025211844 0.47859874103992 0.26649749768398 15.999 > 30 92 O 0.37426025211844 0.97859874103992 0.26649749768398 15.999 > 30 93 O 0.45248134444072 0.14568004967663 0.43678155275038 15.999 > 31 94 O 0.45248134444072 0.64568004967663 0.43678155275038 15.999 > 31 95 O 0.04751865555928 0.39568004967663 0.06321844724962 15.999 > 32 96 O 0.04751865555928 0.89568004967663 0.06321844724962 15.999 > 32 97 O 0.04176708741023 0.40181898838263 0.31358547117592 15.999 > 33 98 O 0.04176708741023 0.90181898838263 0.31358547117592 15.999 > 33 99 O 0.37426025211844 0.02140125896008 0.76649749768398 15.999 > 34 100 O 0.37426025211844 0.52140125896008 0.76649749768398 15.999 > 34 101 O 0.45823291258977 0.15181898838263 0.18641452882408 15.999 > 35 102 O 0.45823291258977 0.65181898838263 0.18641452882408 15.999 > 35 103 O 0.04176708741023 0.09818101161737 0.81358547117592 15.999 > 36 104 O 0.04176708741023 0.59818101161737 0.81358547117592 15.999 > 36 105 O 0.88456564092054 0.27540863738907 0.59718054666740 15.999 > 17 106 O 0.88456564092054 0.77540863738907 0.59718054666740 15.999 > 17 107 O 0.95823291258977 0.09818101161737 0.68641452882408 15.999 > 18 108 O 0.95823291258977 0.59818101161737 0.68641452882408 15.999 > 18 109 O 0.62573974788155 0.47859874103992 0.23350250231602 15.999 > 19 110 O 0.62573974788155 0.97859874103992 0.23350250231602 15.999 > 19 111 O 0.95248134444072 0.10431995032337 0.93678155275038 15.999 > 20 112 O 0.95248134444072 0.60431995032337 0.93678155275038 15.999 > 20 113 O 0.79577537842873 0.05124863734054 0.57569848753086 15.999 > 21 114 O 0.79577537842873 0.55124863734054 0.57569848753086 15.999 > 21 115 O 0.62573974788155 0.02140125896008 0.73350250231602 15.999 > 22 116 O 0.62573974788155 0.52140125896008 0.73350250231602 15.999 > 22 117 O 0.70422462157127 0.19875136265946 0.42430151246914 15.999 > 23 118 O 0.70422462157127 0.69875136265946 0.42430151246914 15.999 > 23 119 O 0.79577537842873 0.44875136265946 0.07569848753086 15.999 > 24 120 O 0.79577537842873 0.94875136265946 0.07569848753086 15.999 > 24 121 O 0.61543435907946 0.02540863738907 0.90281945333260 15.999 > 25 122 O 0.61543435907946 0.52540863738907 0.90281945333260 15.999 > 25 123 O 0.70422462157127 0.30124863734054 0.92430151246914 15.999 > 26 124 O 0.70422462157127 0.80124863734054 0.92430151246914 15.999 > 26 125 O 0.54751865555928 0.35431995032337 0.56321844724962 15.999 > 27 126 O 0.54751865555928 0.85431995032337 0.56321844724962 15.999 > 27 127 O 0.61543435907946 0.47459136261093 0.40281945333260 15.999 > 28 128 O 0.61543435907946 0.97459136261093 0.40281945333260 15.999 > 28 129 O 0.88456564092054 0.22459136261093 0.09718054666740 15.999 > 29 130 O 0.88456564092054 0.72459136261093 0.09718054666740 15.999 > 29 131 O 0.87426025211845 0.22859874103992 0.26649749768398 15.999 > 30 132 O 0.87426025211845 0.72859874103992 0.26649749768398 15.999 > 30 133 O 0.95248134444072 0.39568004967663 0.43678155275038 15.999 > 31 134 O 0.95248134444072 0.89568004967663 0.43678155275038 15.999 > 31 135 O 0.54751865555928 0.14568004967663 0.06321844724962 15.999 > 32 136 O 0.54751865555928 0.64568004967663 0.06321844724962 15.999 > 32 137 O 0.54176708741023 0.15181898838263 0.31358547117592 15.999 > 33 138 O 0.54176708741023 0.65181898838263 0.31358547117592 15.999 > 33 139 O 0.87426025211845 0.27140125896008 0.76649749768398 15.999 > 34 140 O 0.87426025211845 0.77140125896008 0.76649749768398 15.999 > 34 141 O 0.95823291258977 0.40181898838263 0.18641452882408 15.999 > 35 142 O 0.95823291258977 0.90181898838263 0.18641452882408 15.999 > 35 143 O 0.54176708741023 0.34818101161737 0.81358547117592 15.999 > 36 144 O 0.54176708741023 0.84818101161737 0.81358547117592 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2817885 0.0000000 0.0095194 0.0000000 2.2495386 0.0000000 0.0095140 0.0000000 2.3825671 -------------------------- Born effective charges -------------------------- 1 Na 1.0712426 0.0248089 -0.0342076 -0.0404407 1.0983057 0.0645439 -0.0104748 0.0261628 1.1064002 2 Na 1.1349158 0.0630106 -0.0256626 0.0353092 1.1319851 0.0687729 -0.0219554 0.0081697 0.9783918 3 Na 1.1349158 -0.0630106 -0.0256626 -0.0353092 1.1319851 -0.0687729 -0.0219554 -0.0081697 0.9783918 4 Na 1.0712426 -0.0248089 -0.0342076 0.0404407 1.0983057 -0.0645439 -0.0104748 -0.0261628 1.1064002 5 Na 1.0712426 0.0248089 -0.0342076 -0.0404407 1.0983057 0.0645439 -0.0104748 0.0261628 1.1064002 6 Na 1.1349158 -0.0630106 -0.0256626 -0.0353092 1.1319851 -0.0687729 -0.0219554 -0.0081697 0.9783918 7 Na 1.1590144 -0.0593675 0.0406966 0.0825246 1.1418127 0.0410816 -0.0385117 -0.0241637 1.1542973 8 Na 1.1349158 0.0630106 -0.0256626 0.0353092 1.1319851 0.0687729 -0.0219554 0.0081697 0.9783918 9 Na 1.0712426 -0.0248089 -0.0342076 0.0404407 1.0983057 -0.0645439 -0.0104748 -0.0261628 1.1064002 10 Na 1.1590144 0.0593675 0.0406966 -0.0825246 1.1418127 -0.0410816 -0.0385117 0.0241637 1.1542973 11 P 2.8463613 0.0445848 0.0384610 0.1286043 2.7096655 0.3613486 0.0120712 0.0289407 3.3260746 12 P 2.8463613 -0.0445848 0.0384610 -0.1286043 2.7096655 -0.3613486 0.0120712 -0.0289407 3.3260746 13 P 2.7546162 0.0000000 0.1191339 0.0000000 2.5852291 0.0000000 0.2029981 0.0000000 3.8581890 14 P 2.7546162 0.0000000 0.1191339 0.0000000 2.5852291 0.0000000 0.2029981 0.0000000 3.8581890 15 P 2.8463613 -0.0445848 0.0384610 -0.1286043 2.7096655 -0.3613486 0.0120712 -0.0289407 3.3260746 16 P 2.8463613 0.0445848 0.0384610 0.1286043 2.7096655 0.3613486 0.0120712 0.0289407 3.3260746 17 O -1.1128733 0.1871026 -0.0296232 0.1940785 -1.8697287 0.0157148 -0.0283005 0.1039450 -1.2254531 18 O -0.8822731 -0.1332854 -0.2919977 -0.1349085 -1.2208172 -0.3634719 -0.3199403 -0.4321749 -2.8664853 19 O -1.5922613 0.3020080 0.1215913 0.3445266 -1.1170485 -0.0377251 0.1156240 -0.0173883 -1.2112645 20 O -1.7762706 -0.1752245 0.3162792 -0.1652708 -1.1667592 0.1386875 0.4437473 0.1579616 -1.3670545 21 O -1.6456567 -0.4187652 -0.1747557 -0.4303281 -1.4291237 -0.1534140 -0.2730147 -0.2139541 -1.2468523 22 O -1.5922613 -0.3020080 0.1215913 -0.3445266 -1.1170485 0.0377251 0.1156240 0.0173883 -1.2112645 23 O -1.6456567 -0.4187652 -0.1747557 -0.4303281 -1.4291237 -0.1534140 -0.2730147 -0.2139541 -1.2468523 24 O -1.6456567 0.4187652 -0.1747557 0.4303281 -1.4291237 0.1534140 -0.2730147 0.2139541 -1.2468523 25 O -1.1128733 -0.1871026 -0.0296232 -0.1940785 -1.8697287 -0.0157148 -0.0283005 -0.1039450 -1.2254531 26 O -1.6456567 0.4187652 -0.1747557 0.4303281 -1.4291237 0.1534140 -0.2730147 0.2139541 -1.2468523 27 O -1.7762706 0.1752245 0.3162792 0.1652708 -1.1667592 -0.1386875 0.4437473 -0.1579616 -1.3670545 28 O -1.1128733 0.1871026 -0.0296232 0.1940785 -1.8697287 0.0157148 -0.0283005 0.1039450 -1.2254531 29 O -1.1128733 -0.1871026 -0.0296232 -0.1940785 -1.8697287 -0.0157148 -0.0283005 -0.1039450 -1.2254531 30 O -1.5922613 -0.3020080 0.1215913 -0.3445266 -1.1170485 0.0377251 0.1156240 0.0173883 -1.2112645 31 O -1.7762706 0.1752245 0.3162792 0.1652708 -1.1667592 -0.1386875 0.4437473 -0.1579616 -1.3670545 32 O -1.7762706 -0.1752245 0.3162792 -0.1652708 -1.1667592 0.1386875 0.4437473 0.1579616 -1.3670545 33 O -0.8822731 -0.1332854 -0.2919977 -0.1349085 -1.2208172 -0.3634719 -0.3199403 -0.4321749 -2.8664853 34 O -1.5922613 0.3020080 0.1215913 0.3445266 -1.1170485 -0.0377251 0.1156240 -0.0173883 -1.2112645 35 O -0.8822731 0.1332854 -0.2919977 0.1349085 -1.2208172 0.3634719 -0.3199403 0.4321749 -2.8664853 36 O -0.8822731 0.1332854 -0.2919977 0.1349085 -1.2208172 0.3634719 -0.3199403 0.4321749 -2.8664853 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 28260/28260 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 277 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 277 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 277), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 277), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1302, 1283), data: False |-- (1302, 28), data: (1302, 47) @ (47, 28) |-- (302, 291), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 1120 - Time: 3.011 Solver_block: 200 / 1120 - Time: 2.614 Solver_block: 300 / 1120 - Time: 2.854 Solver_block: 400 / 1120 - Time: 3.075 Solver_block: 500 / 1120 - Time: 2.456 Solver_block: 600 / 1120 - Time: 2.330 Solver_block: 700 / 1120 - Time: 2.814 Solver_block: 800 / 1120 - Time: 2.799 Solver_block: 900 / 1120 - Time: 2.770 Solver_block: 1000 / 1120 - Time: 2.348 Solver_block: 1100 / 1120 - Time: 3.166 Solver_block: 1120 / 1120 - Time: 0.626 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 32.004 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 28260/28260 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 277 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 277 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 277), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 277), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1302, 1283), data: False |-- (1302, 28), data: (1302, 47) @ (47, 28) |-- (302, 291), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 13:36:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:36:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.850576635414862 -2.677343650000000 0.000000000000000 b 4.850576635414862 2.677343650000000 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): 1 Na 0.84554674898814 0.30734638249813 0.06612105573008 22.990 2 Na 0.39075499214612 0.03722092341619 0.82439868534049 22.990 3 Na 0.96277907658381 0.60924500785388 0.67560131465951 22.990 4 Na 0.69265361750187 0.15445325101186 0.43387894426992 22.990 5 Na 0.15445325101186 0.69265361750187 0.93387894426992 22.990 6 Na 0.03722092341619 0.39075499214612 0.32439868534049 22.990 7 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 8 Na 0.60924500785388 0.96277907658381 0.17560131465951 22.990 9 Na 0.30734638249813 0.84554674898814 0.56612105573008 22.990 10 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 11 P 0.35430035930179 0.80828177734571 0.40073905104518 30.974 12 P 0.80828177734571 0.35430035930179 0.90073905104518 30.974 13 P 0.39905236191060 0.60094763808940 0.25000000000000 30.974 14 P 0.60094763808940 0.39905236191060 0.75000000000000 30.974 15 P 0.19171822265429 0.64569964069821 0.09926094895482 30.974 16 P 0.64569964069821 0.19171822265429 0.59926094895482 30.974 17 O 0.33374836614240 0.43538291569868 0.59718054666740 15.999 18 O 0.76187088935504 0.15459493582451 0.68641452882408 15.999 19 O 0.66854226580172 0.58293722996139 0.23350250231602 15.999 20 O 0.74384144379398 0.16112124508745 0.93678155275038 15.999 21 O 0.69327810374764 0.89827265310982 0.57569848753086 15.999 22 O 0.58293722996139 0.66854226580172 0.73350250231602 15.999 23 O 0.30672189625236 0.10172734689018 0.42430151246914 15.999 24 O 0.89827265310982 0.69327810374764 0.07569848753086 15.999 25 O 0.56461708430132 0.66625163385760 0.90281945333260 15.999 26 O 0.10172734689018 0.30672189625236 0.92430151246914 15.999 27 O 0.83887875491255 0.25615855620602 0.56321844724962 15.999 28 O 0.66625163385760 0.56461708430132 0.40281945333260 15.999 29 O 0.43538291569868 0.33374836614240 0.09718054666740 15.999 30 O 0.41706277003861 0.33145773419828 0.26649749768398 15.999 31 O 0.16112124508745 0.74384144379398 0.43678155275038 15.999 32 O 0.25615855620602 0.83887875491255 0.06321844724962 15.999 33 O 0.23812911064496 0.84540506417549 0.31358547117592 15.999 34 O 0.33145773419828 0.41706277003861 0.76649749768398 15.999 35 O 0.15459493582451 0.76187088935504 0.18641452882408 15.999 36 O 0.84540506417549 0.23812911064496 0.81358547117592 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.701153270829725 0.000000000000000 0.000000000000000 b 0.000000000000000 10.709374599999999 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): 1 Na 0.07644656574313 0.11544990837750 0.06612105573008 22.990 > 1 2 Na 0.07644656574313 0.61544990837750 0.06612105573008 22.990 > 1 3 Na 0.21398795778116 0.41161648281752 0.82439868534049 22.990 > 3 4 Na 0.21398795778116 0.91161648281752 0.82439868534049 22.990 > 3 5 Na 0.28601204221884 0.16161648281752 0.67560131465951 22.990 > 5 6 Na 0.28601204221884 0.66161648281752 0.67560131465951 22.990 > 5 7 Na 0.42355343425687 0.36544990837750 0.43387894426992 22.990 > 7 8 Na 0.42355343425687 0.86544990837750 0.43387894426992 22.990 > 7 9 Na 0.42355343425687 0.13455009162250 0.93387894426992 22.990 > 9 10 Na 0.42355343425687 0.63455009162250 0.93387894426992 22.990 > 9 11 Na 0.21398795778116 0.08838351718248 0.32439868534049 22.990 > 11 12 Na 0.21398795778116 0.58838351718248 0.32439868534049 22.990 > 11 13 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 13 14 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 13 15 Na 0.28601204221884 0.33838351718248 0.17560131465951 22.990 > 15 16 Na 0.28601204221884 0.83838351718248 0.17560131465951 22.990 > 15 17 Na 0.07644656574313 0.38455009162250 0.56612105573008 22.990 > 17 18 Na 0.07644656574313 0.88455009162250 0.56612105573008 22.990 > 17 19 Na 0.25000000000000 0.12500000000000 0.50000000000000 22.990 > 19 20 Na 0.25000000000000 0.62500000000000 0.50000000000000 22.990 > 19 21 Na 0.57644656574313 0.36544990837750 0.06612105573008 22.990 > 1 22 Na 0.57644656574313 0.86544990837750 0.06612105573008 22.990 > 1 23 Na 0.71398795778116 0.16161648281752 0.82439868534049 22.990 > 3 24 Na 0.71398795778116 0.66161648281752 0.82439868534049 22.990 > 3 25 Na 0.78601204221884 0.41161648281752 0.67560131465951 22.990 > 5 26 Na 0.78601204221884 0.91161648281752 0.67560131465951 22.990 > 5 27 Na 0.92355343425687 0.11544990837750 0.43387894426992 22.990 > 7 28 Na 0.92355343425687 0.61544990837750 0.43387894426992 22.990 > 7 29 Na 0.92355343425687 0.38455009162250 0.93387894426992 22.990 > 9 30 Na 0.92355343425687 0.88455009162250 0.93387894426992 22.990 > 9 31 Na 0.71398795778116 0.33838351718248 0.32439868534049 22.990 > 11 32 Na 0.71398795778116 0.83838351718248 0.32439868534049 22.990 > 11 33 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 13 34 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 13 35 Na 0.78601204221884 0.08838351718248 0.17560131465951 22.990 > 15 36 Na 0.78601204221884 0.58838351718248 0.17560131465951 22.990 > 15 37 Na 0.57644656574313 0.13455009162250 0.56612105573008 22.990 > 17 38 Na 0.57644656574313 0.63455009162250 0.56612105573008 22.990 > 17 39 Na 0.75000000000000 0.37500000000000 0.50000000000000 22.990 > 19 40 Na 0.75000000000000 0.87500000000000 0.50000000000000 22.990 > 19 41 P 0.08129106832375 0.36349535451098 0.40073905104518 30.974 > 41 42 P 0.08129106832375 0.86349535451098 0.40073905104518 30.974 > 41 43 P 0.08129106832375 0.13650464548902 0.90073905104518 30.974 > 43 44 P 0.08129106832375 0.63650464548902 0.90073905104518 30.974 > 43 45 P 0.00000000000000 0.30047381904470 0.25000000000000 30.974 > 45 46 P 0.00000000000000 0.80047381904470 0.25000000000000 30.974 > 45 47 P 0.00000000000000 0.19952618095530 0.75000000000000 30.974 > 47 48 P 0.00000000000000 0.69952618095530 0.75000000000000 30.974 > 47 49 P 0.41870893167625 0.11349535451098 0.09926094895482 30.974 > 49 50 P 0.41870893167625 0.61349535451098 0.09926094895482 30.974 > 49 51 P 0.41870893167625 0.38650464548902 0.59926094895482 30.974 > 51 52 P 0.41870893167625 0.88650464548902 0.59926094895482 30.974 > 51 53 P 0.58129106832375 0.11349535451098 0.40073905104518 30.974 > 41 54 P 0.58129106832375 0.61349535451098 0.40073905104518 30.974 > 41 55 P 0.58129106832375 0.38650464548902 0.90073905104518 30.974 > 43 56 P 0.58129106832375 0.88650464548902 0.90073905104518 30.974 > 43 57 P 0.50000000000000 0.05047381904470 0.25000000000000 30.974 > 45 58 P 0.50000000000000 0.55047381904470 0.25000000000000 30.974 > 45 59 P 0.50000000000000 0.44952618095530 0.75000000000000 30.974 > 47 60 P 0.50000000000000 0.94952618095530 0.75000000000000 30.974 > 47 61 P 0.91870893167625 0.36349535451098 0.09926094895482 30.974 > 49 62 P 0.91870893167625 0.86349535451098 0.09926094895482 30.974 > 49 63 P 0.91870893167625 0.13650464548902 0.59926094895482 30.974 > 51 64 P 0.91870893167625 0.63650464548902 0.59926094895482 30.974 > 51 65 O 0.38456564092054 0.02540863738907 0.59718054666740 15.999 > 65 66 O 0.38456564092054 0.52540863738907 0.59718054666740 15.999 > 65 67 O 0.45823291258977 0.34818101161737 0.68641452882408 15.999 > 67 68 O 0.45823291258977 0.84818101161737 0.68641452882408 15.999 > 67 69 O 0.12573974788156 0.22859874103992 0.23350250231602 15.999 > 69 70 O 0.12573974788156 0.72859874103992 0.23350250231602 15.999 > 69 71 O 0.45248134444072 0.35431995032337 0.93678155275038 15.999 > 71 72 O 0.45248134444072 0.85431995032337 0.93678155275038 15.999 > 71 73 O 0.29577537842873 0.30124863734054 0.57569848753086 15.999 > 73 74 O 0.29577537842873 0.80124863734054 0.57569848753086 15.999 > 73 75 O 0.12573974788156 0.27140125896008 0.73350250231602 15.999 > 75 76 O 0.12573974788156 0.77140125896008 0.73350250231602 15.999 > 75 77 O 0.20422462157127 0.44875136265946 0.42430151246914 15.999 > 77 78 O 0.20422462157127 0.94875136265946 0.42430151246914 15.999 > 77 79 O 0.29577537842873 0.19875136265946 0.07569848753086 15.999 > 79 80 O 0.29577537842873 0.69875136265946 0.07569848753086 15.999 > 79 81 O 0.11543435907946 0.27540863738907 0.90281945333260 15.999 > 81 82 O 0.11543435907946 0.77540863738907 0.90281945333260 15.999 > 81 83 O 0.20422462157127 0.05124863734054 0.92430151246914 15.999 > 83 84 O 0.20422462157127 0.55124863734054 0.92430151246914 15.999 > 83 85 O 0.04751865555928 0.10431995032337 0.56321844724962 15.999 > 85 86 O 0.04751865555928 0.60431995032337 0.56321844724962 15.999 > 85 87 O 0.11543435907946 0.22459136261093 0.40281945333260 15.999 > 87 88 O 0.11543435907946 0.72459136261093 0.40281945333260 15.999 > 87 89 O 0.38456564092054 0.47459136261093 0.09718054666740 15.999 > 89 90 O 0.38456564092054 0.97459136261093 0.09718054666740 15.999 > 89 91 O 0.37426025211844 0.47859874103992 0.26649749768398 15.999 > 91 92 O 0.37426025211844 0.97859874103992 0.26649749768398 15.999 > 91 93 O 0.45248134444072 0.14568004967663 0.43678155275038 15.999 > 93 94 O 0.45248134444072 0.64568004967663 0.43678155275038 15.999 > 93 95 O 0.04751865555928 0.39568004967663 0.06321844724962 15.999 > 95 96 O 0.04751865555928 0.89568004967663 0.06321844724962 15.999 > 95 97 O 0.04176708741023 0.40181898838263 0.31358547117592 15.999 > 97 98 O 0.04176708741023 0.90181898838263 0.31358547117592 15.999 > 97 99 O 0.37426025211844 0.02140125896008 0.76649749768398 15.999 > 99 100 O 0.37426025211844 0.52140125896008 0.76649749768398 15.999 > 99 101 O 0.45823291258977 0.15181898838263 0.18641452882408 15.999 > 101 102 O 0.45823291258977 0.65181898838263 0.18641452882408 15.999 > 101 103 O 0.04176708741023 0.09818101161737 0.81358547117592 15.999 > 103 104 O 0.04176708741023 0.59818101161737 0.81358547117592 15.999 > 103 105 O 0.88456564092054 0.27540863738907 0.59718054666740 15.999 > 65 106 O 0.88456564092054 0.77540863738907 0.59718054666740 15.999 > 65 107 O 0.95823291258977 0.09818101161737 0.68641452882408 15.999 > 67 108 O 0.95823291258977 0.59818101161737 0.68641452882408 15.999 > 67 109 O 0.62573974788155 0.47859874103992 0.23350250231602 15.999 > 69 110 O 0.62573974788155 0.97859874103992 0.23350250231602 15.999 > 69 111 O 0.95248134444072 0.10431995032337 0.93678155275038 15.999 > 71 112 O 0.95248134444072 0.60431995032337 0.93678155275038 15.999 > 71 113 O 0.79577537842873 0.05124863734054 0.57569848753086 15.999 > 73 114 O 0.79577537842873 0.55124863734054 0.57569848753086 15.999 > 73 115 O 0.62573974788155 0.02140125896008 0.73350250231602 15.999 > 75 116 O 0.62573974788155 0.52140125896008 0.73350250231602 15.999 > 75 117 O 0.70422462157127 0.19875136265946 0.42430151246914 15.999 > 77 118 O 0.70422462157127 0.69875136265946 0.42430151246914 15.999 > 77 119 O 0.79577537842873 0.44875136265946 0.07569848753086 15.999 > 79 120 O 0.79577537842873 0.94875136265946 0.07569848753086 15.999 > 79 121 O 0.61543435907946 0.02540863738907 0.90281945333260 15.999 > 81 122 O 0.61543435907946 0.52540863738907 0.90281945333260 15.999 > 81 123 O 0.70422462157127 0.30124863734054 0.92430151246914 15.999 > 83 124 O 0.70422462157127 0.80124863734054 0.92430151246914 15.999 > 83 125 O 0.54751865555928 0.35431995032337 0.56321844724962 15.999 > 85 126 O 0.54751865555928 0.85431995032337 0.56321844724962 15.999 > 85 127 O 0.61543435907946 0.47459136261093 0.40281945333260 15.999 > 87 128 O 0.61543435907946 0.97459136261093 0.40281945333260 15.999 > 87 129 O 0.88456564092054 0.22459136261093 0.09718054666740 15.999 > 89 130 O 0.88456564092054 0.72459136261093 0.09718054666740 15.999 > 89 131 O 0.87426025211845 0.22859874103992 0.26649749768398 15.999 > 91 132 O 0.87426025211845 0.72859874103992 0.26649749768398 15.999 > 91 133 O 0.95248134444072 0.39568004967663 0.43678155275038 15.999 > 93 134 O 0.95248134444072 0.89568004967663 0.43678155275038 15.999 > 93 135 O 0.54751865555928 0.14568004967663 0.06321844724962 15.999 > 95 136 O 0.54751865555928 0.64568004967663 0.06321844724962 15.999 > 95 137 O 0.54176708741023 0.15181898838263 0.31358547117592 15.999 > 97 138 O 0.54176708741023 0.65181898838263 0.31358547117592 15.999 > 97 139 O 0.87426025211845 0.27140125896008 0.76649749768398 15.999 > 99 140 O 0.87426025211845 0.77140125896008 0.76649749768398 15.999 > 99 141 O 0.95823291258977 0.40181898838263 0.18641452882408 15.999 > 101 142 O 0.95823291258977 0.90181898838263 0.18641452882408 15.999 > 101 143 O 0.54176708741023 0.34818101161737 0.81358547117592 15.999 > 103 144 O 0.54176708741023 0.84818101161737 0.81358547117592 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2817885 0.0000000 0.0095194 0.0000000 2.2495386 0.0000000 0.0095140 0.0000000 2.3825671 -------------------------- Born effective charges -------------------------- 1 Na 1.0712426 0.0248089 -0.0342076 -0.0404407 1.0983057 0.0645439 -0.0104748 0.0261628 1.1064002 2 Na 1.1349158 0.0630106 -0.0256626 0.0353092 1.1319851 0.0687729 -0.0219554 0.0081697 0.9783918 3 Na 1.1349158 -0.0630106 -0.0256626 -0.0353092 1.1319851 -0.0687729 -0.0219554 -0.0081697 0.9783918 4 Na 1.0712426 -0.0248089 -0.0342076 0.0404407 1.0983057 -0.0645439 -0.0104748 -0.0261628 1.1064002 5 Na 1.0712426 0.0248089 -0.0342076 -0.0404407 1.0983057 0.0645439 -0.0104748 0.0261628 1.1064002 6 Na 1.1349158 -0.0630106 -0.0256626 -0.0353092 1.1319851 -0.0687729 -0.0219554 -0.0081697 0.9783918 7 Na 1.1590144 -0.0593675 0.0406966 0.0825246 1.1418127 0.0410816 -0.0385117 -0.0241637 1.1542973 8 Na 1.1349158 0.0630106 -0.0256626 0.0353092 1.1319851 0.0687729 -0.0219554 0.0081697 0.9783918 9 Na 1.0712426 -0.0248089 -0.0342076 0.0404407 1.0983057 -0.0645439 -0.0104748 -0.0261628 1.1064002 10 Na 1.1590144 0.0593675 0.0406966 -0.0825246 1.1418127 -0.0410816 -0.0385117 0.0241637 1.1542973 11 P 2.8463613 0.0445848 0.0384610 0.1286043 2.7096655 0.3613486 0.0120712 0.0289407 3.3260746 12 P 2.8463613 -0.0445848 0.0384610 -0.1286043 2.7096655 -0.3613486 0.0120712 -0.0289407 3.3260746 13 P 2.7546162 0.0000000 0.1191339 0.0000000 2.5852291 0.0000000 0.2029981 0.0000000 3.8581890 14 P 2.7546162 0.0000000 0.1191339 0.0000000 2.5852291 0.0000000 0.2029981 0.0000000 3.8581890 15 P 2.8463613 -0.0445848 0.0384610 -0.1286043 2.7096655 -0.3613486 0.0120712 -0.0289407 3.3260746 16 P 2.8463613 0.0445848 0.0384610 0.1286043 2.7096655 0.3613486 0.0120712 0.0289407 3.3260746 17 O -1.1128733 0.1871026 -0.0296232 0.1940785 -1.8697287 0.0157148 -0.0283005 0.1039450 -1.2254531 18 O -0.8822731 -0.1332854 -0.2919977 -0.1349085 -1.2208172 -0.3634719 -0.3199403 -0.4321749 -2.8664853 19 O -1.5922613 0.3020080 0.1215913 0.3445266 -1.1170485 -0.0377251 0.1156240 -0.0173883 -1.2112645 20 O -1.7762706 -0.1752245 0.3162792 -0.1652708 -1.1667592 0.1386875 0.4437473 0.1579616 -1.3670545 21 O -1.6456567 -0.4187652 -0.1747557 -0.4303281 -1.4291237 -0.1534140 -0.2730147 -0.2139541 -1.2468523 22 O -1.5922613 -0.3020080 0.1215913 -0.3445266 -1.1170485 0.0377251 0.1156240 0.0173883 -1.2112645 23 O -1.6456567 -0.4187652 -0.1747557 -0.4303281 -1.4291237 -0.1534140 -0.2730147 -0.2139541 -1.2468523 24 O -1.6456567 0.4187652 -0.1747557 0.4303281 -1.4291237 0.1534140 -0.2730147 0.2139541 -1.2468523 25 O -1.1128733 -0.1871026 -0.0296232 -0.1940785 -1.8697287 -0.0157148 -0.0283005 -0.1039450 -1.2254531 26 O -1.6456567 0.4187652 -0.1747557 0.4303281 -1.4291237 0.1534140 -0.2730147 0.2139541 -1.2468523 27 O -1.7762706 0.1752245 0.3162792 0.1652708 -1.1667592 -0.1386875 0.4437473 -0.1579616 -1.3670545 28 O -1.1128733 0.1871026 -0.0296232 0.1940785 -1.8697287 0.0157148 -0.0283005 0.1039450 -1.2254531 29 O -1.1128733 -0.1871026 -0.0296232 -0.1940785 -1.8697287 -0.0157148 -0.0283005 -0.1039450 -1.2254531 30 O -1.5922613 -0.3020080 0.1215913 -0.3445266 -1.1170485 0.0377251 0.1156240 0.0173883 -1.2112645 31 O -1.7762706 0.1752245 0.3162792 0.1652708 -1.1667592 -0.1386875 0.4437473 -0.1579616 -1.3670545 32 O -1.7762706 -0.1752245 0.3162792 -0.1652708 -1.1667592 0.1386875 0.4437473 0.1579616 -1.3670545 33 O -0.8822731 -0.1332854 -0.2919977 -0.1349085 -1.2208172 -0.3634719 -0.3199403 -0.4321749 -2.8664853 34 O -1.5922613 0.3020080 0.1215913 0.3445266 -1.1170485 -0.0377251 0.1156240 -0.0173883 -1.2112645 35 O -0.8822731 0.1332854 -0.2919977 0.1349085 -1.2208172 0.3634719 -0.3199403 0.4321749 -2.8664853 36 O -0.8822731 0.1332854 -0.2919977 0.1349085 -1.2208172 0.3634719 -0.3199403 0.4321749 -2.8664853 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 3, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 45, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 67, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 71, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 13:38:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:38:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.850576635414862 -2.677343650000000 0.000000000000000 b 4.850576635414862 2.677343650000000 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): 1 Na 0.84554674898814 0.30734638249813 0.06612105573008 22.990 2 Na 0.39075499214612 0.03722092341619 0.82439868534049 22.990 3 Na 0.96277907658381 0.60924500785388 0.67560131465951 22.990 4 Na 0.69265361750187 0.15445325101186 0.43387894426992 22.990 5 Na 0.15445325101186 0.69265361750187 0.93387894426992 22.990 6 Na 0.03722092341619 0.39075499214612 0.32439868534049 22.990 7 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 8 Na 0.60924500785388 0.96277907658381 0.17560131465951 22.990 9 Na 0.30734638249813 0.84554674898814 0.56612105573008 22.990 10 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 11 P 0.35430035930179 0.80828177734571 0.40073905104518 30.974 12 P 0.80828177734571 0.35430035930179 0.90073905104518 30.974 13 P 0.39905236191060 0.60094763808940 0.25000000000000 30.974 14 P 0.60094763808940 0.39905236191060 0.75000000000000 30.974 15 P 0.19171822265429 0.64569964069821 0.09926094895482 30.974 16 P 0.64569964069821 0.19171822265429 0.59926094895482 30.974 17 O 0.33374836614240 0.43538291569868 0.59718054666740 15.999 18 O 0.76187088935504 0.15459493582451 0.68641452882408 15.999 19 O 0.66854226580172 0.58293722996139 0.23350250231602 15.999 20 O 0.74384144379398 0.16112124508745 0.93678155275038 15.999 21 O 0.69327810374764 0.89827265310982 0.57569848753086 15.999 22 O 0.58293722996139 0.66854226580172 0.73350250231602 15.999 23 O 0.30672189625236 0.10172734689018 0.42430151246914 15.999 24 O 0.89827265310982 0.69327810374764 0.07569848753086 15.999 25 O 0.56461708430132 0.66625163385760 0.90281945333260 15.999 26 O 0.10172734689018 0.30672189625236 0.92430151246914 15.999 27 O 0.83887875491255 0.25615855620602 0.56321844724962 15.999 28 O 0.66625163385760 0.56461708430132 0.40281945333260 15.999 29 O 0.43538291569868 0.33374836614240 0.09718054666740 15.999 30 O 0.41706277003861 0.33145773419828 0.26649749768398 15.999 31 O 0.16112124508745 0.74384144379398 0.43678155275038 15.999 32 O 0.25615855620602 0.83887875491255 0.06321844724962 15.999 33 O 0.23812911064496 0.84540506417549 0.31358547117592 15.999 34 O 0.33145773419828 0.41706277003861 0.76649749768398 15.999 35 O 0.15459493582451 0.76187088935504 0.18641452882408 15.999 36 O 0.84540506417549 0.23812911064496 0.81358547117592 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.701153270829725 0.000000000000000 0.000000000000000 b 0.000000000000000 10.709374599999999 0.000000000000000 c -2.281414364462311 0.000000000000000 18.404186689867164 Atomic positions (fractional): 1 Na 0.07644656574313 0.11544990837750 0.06612105573008 22.990 > 1 2 Na 0.07644656574313 0.61544990837750 0.06612105573008 22.990 > 1 3 Na 0.21398795778116 0.41161648281752 0.82439868534049 22.990 > 3 4 Na 0.21398795778116 0.91161648281752 0.82439868534049 22.990 > 3 5 Na 0.28601204221884 0.16161648281752 0.67560131465951 22.990 > 5 6 Na 0.28601204221884 0.66161648281752 0.67560131465951 22.990 > 5 7 Na 0.42355343425687 0.36544990837750 0.43387894426992 22.990 > 7 8 Na 0.42355343425687 0.86544990837750 0.43387894426992 22.990 > 7 9 Na 0.42355343425687 0.13455009162250 0.93387894426992 22.990 > 9 10 Na 0.42355343425687 0.63455009162250 0.93387894426992 22.990 > 9 11 Na 0.21398795778116 0.08838351718248 0.32439868534049 22.990 > 11 12 Na 0.21398795778116 0.58838351718248 0.32439868534049 22.990 > 11 13 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 13 14 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 13 15 Na 0.28601204221884 0.33838351718248 0.17560131465951 22.990 > 15 16 Na 0.28601204221884 0.83838351718248 0.17560131465951 22.990 > 15 17 Na 0.07644656574313 0.38455009162250 0.56612105573008 22.990 > 17 18 Na 0.07644656574313 0.88455009162250 0.56612105573008 22.990 > 17 19 Na 0.25000000000000 0.12500000000000 0.50000000000000 22.990 > 19 20 Na 0.25000000000000 0.62500000000000 0.50000000000000 22.990 > 19 21 Na 0.57644656574313 0.36544990837750 0.06612105573008 22.990 > 1 22 Na 0.57644656574313 0.86544990837750 0.06612105573008 22.990 > 1 23 Na 0.71398795778116 0.16161648281752 0.82439868534049 22.990 > 3 24 Na 0.71398795778116 0.66161648281752 0.82439868534049 22.990 > 3 25 Na 0.78601204221884 0.41161648281752 0.67560131465951 22.990 > 5 26 Na 0.78601204221884 0.91161648281752 0.67560131465951 22.990 > 5 27 Na 0.92355343425687 0.11544990837750 0.43387894426992 22.990 > 7 28 Na 0.92355343425687 0.61544990837750 0.43387894426992 22.990 > 7 29 Na 0.92355343425687 0.38455009162250 0.93387894426992 22.990 > 9 30 Na 0.92355343425687 0.88455009162250 0.93387894426992 22.990 > 9 31 Na 0.71398795778116 0.33838351718248 0.32439868534049 22.990 > 11 32 Na 0.71398795778116 0.83838351718248 0.32439868534049 22.990 > 11 33 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 13 34 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 13 35 Na 0.78601204221884 0.08838351718248 0.17560131465951 22.990 > 15 36 Na 0.78601204221884 0.58838351718248 0.17560131465951 22.990 > 15 37 Na 0.57644656574313 0.13455009162250 0.56612105573008 22.990 > 17 38 Na 0.57644656574313 0.63455009162250 0.56612105573008 22.990 > 17 39 Na 0.75000000000000 0.37500000000000 0.50000000000000 22.990 > 19 40 Na 0.75000000000000 0.87500000000000 0.50000000000000 22.990 > 19 41 P 0.08129106832375 0.36349535451098 0.40073905104518 30.974 > 41 42 P 0.08129106832375 0.86349535451098 0.40073905104518 30.974 > 41 43 P 0.08129106832375 0.13650464548902 0.90073905104518 30.974 > 43 44 P 0.08129106832375 0.63650464548902 0.90073905104518 30.974 > 43 45 P 0.00000000000000 0.30047381904470 0.25000000000000 30.974 > 45 46 P 0.00000000000000 0.80047381904470 0.25000000000000 30.974 > 45 47 P 0.00000000000000 0.19952618095530 0.75000000000000 30.974 > 47 48 P 0.00000000000000 0.69952618095530 0.75000000000000 30.974 > 47 49 P 0.41870893167625 0.11349535451098 0.09926094895482 30.974 > 49 50 P 0.41870893167625 0.61349535451098 0.09926094895482 30.974 > 49 51 P 0.41870893167625 0.38650464548902 0.59926094895482 30.974 > 51 52 P 0.41870893167625 0.88650464548902 0.59926094895482 30.974 > 51 53 P 0.58129106832375 0.11349535451098 0.40073905104518 30.974 > 41 54 P 0.58129106832375 0.61349535451098 0.40073905104518 30.974 > 41 55 P 0.58129106832375 0.38650464548902 0.90073905104518 30.974 > 43 56 P 0.58129106832375 0.88650464548902 0.90073905104518 30.974 > 43 57 P 0.50000000000000 0.05047381904470 0.25000000000000 30.974 > 45 58 P 0.50000000000000 0.55047381904470 0.25000000000000 30.974 > 45 59 P 0.50000000000000 0.44952618095530 0.75000000000000 30.974 > 47 60 P 0.50000000000000 0.94952618095530 0.75000000000000 30.974 > 47 61 P 0.91870893167625 0.36349535451098 0.09926094895482 30.974 > 49 62 P 0.91870893167625 0.86349535451098 0.09926094895482 30.974 > 49 63 P 0.91870893167625 0.13650464548902 0.59926094895482 30.974 > 51 64 P 0.91870893167625 0.63650464548902 0.59926094895482 30.974 > 51 65 O 0.38456564092054 0.02540863738907 0.59718054666740 15.999 > 65 66 O 0.38456564092054 0.52540863738907 0.59718054666740 15.999 > 65 67 O 0.45823291258977 0.34818101161737 0.68641452882408 15.999 > 67 68 O 0.45823291258977 0.84818101161737 0.68641452882408 15.999 > 67 69 O 0.12573974788156 0.22859874103992 0.23350250231602 15.999 > 69 70 O 0.12573974788156 0.72859874103992 0.23350250231602 15.999 > 69 71 O 0.45248134444072 0.35431995032337 0.93678155275038 15.999 > 71 72 O 0.45248134444072 0.85431995032337 0.93678155275038 15.999 > 71 73 O 0.29577537842873 0.30124863734054 0.57569848753086 15.999 > 73 74 O 0.29577537842873 0.80124863734054 0.57569848753086 15.999 > 73 75 O 0.12573974788156 0.27140125896008 0.73350250231602 15.999 > 75 76 O 0.12573974788156 0.77140125896008 0.73350250231602 15.999 > 75 77 O 0.20422462157127 0.44875136265946 0.42430151246914 15.999 > 77 78 O 0.20422462157127 0.94875136265946 0.42430151246914 15.999 > 77 79 O 0.29577537842873 0.19875136265946 0.07569848753086 15.999 > 79 80 O 0.29577537842873 0.69875136265946 0.07569848753086 15.999 > 79 81 O 0.11543435907946 0.27540863738907 0.90281945333260 15.999 > 81 82 O 0.11543435907946 0.77540863738907 0.90281945333260 15.999 > 81 83 O 0.20422462157127 0.05124863734054 0.92430151246914 15.999 > 83 84 O 0.20422462157127 0.55124863734054 0.92430151246914 15.999 > 83 85 O 0.04751865555928 0.10431995032337 0.56321844724962 15.999 > 85 86 O 0.04751865555928 0.60431995032337 0.56321844724962 15.999 > 85 87 O 0.11543435907946 0.22459136261093 0.40281945333260 15.999 > 87 88 O 0.11543435907946 0.72459136261093 0.40281945333260 15.999 > 87 89 O 0.38456564092054 0.47459136261093 0.09718054666740 15.999 > 89 90 O 0.38456564092054 0.97459136261093 0.09718054666740 15.999 > 89 91 O 0.37426025211844 0.47859874103992 0.26649749768398 15.999 > 91 92 O 0.37426025211844 0.97859874103992 0.26649749768398 15.999 > 91 93 O 0.45248134444072 0.14568004967663 0.43678155275038 15.999 > 93 94 O 0.45248134444072 0.64568004967663 0.43678155275038 15.999 > 93 95 O 0.04751865555928 0.39568004967663 0.06321844724962 15.999 > 95 96 O 0.04751865555928 0.89568004967663 0.06321844724962 15.999 > 95 97 O 0.04176708741023 0.40181898838263 0.31358547117592 15.999 > 97 98 O 0.04176708741023 0.90181898838263 0.31358547117592 15.999 > 97 99 O 0.37426025211844 0.02140125896008 0.76649749768398 15.999 > 99 100 O 0.37426025211844 0.52140125896008 0.76649749768398 15.999 > 99 101 O 0.45823291258977 0.15181898838263 0.18641452882408 15.999 > 101 102 O 0.45823291258977 0.65181898838263 0.18641452882408 15.999 > 101 103 O 0.04176708741023 0.09818101161737 0.81358547117592 15.999 > 103 104 O 0.04176708741023 0.59818101161737 0.81358547117592 15.999 > 103 105 O 0.88456564092054 0.27540863738907 0.59718054666740 15.999 > 65 106 O 0.88456564092054 0.77540863738907 0.59718054666740 15.999 > 65 107 O 0.95823291258977 0.09818101161737 0.68641452882408 15.999 > 67 108 O 0.95823291258977 0.59818101161737 0.68641452882408 15.999 > 67 109 O 0.62573974788155 0.47859874103992 0.23350250231602 15.999 > 69 110 O 0.62573974788155 0.97859874103992 0.23350250231602 15.999 > 69 111 O 0.95248134444072 0.10431995032337 0.93678155275038 15.999 > 71 112 O 0.95248134444072 0.60431995032337 0.93678155275038 15.999 > 71 113 O 0.79577537842873 0.05124863734054 0.57569848753086 15.999 > 73 114 O 0.79577537842873 0.55124863734054 0.57569848753086 15.999 > 73 115 O 0.62573974788155 0.02140125896008 0.73350250231602 15.999 > 75 116 O 0.62573974788155 0.52140125896008 0.73350250231602 15.999 > 75 117 O 0.70422462157127 0.19875136265946 0.42430151246914 15.999 > 77 118 O 0.70422462157127 0.69875136265946 0.42430151246914 15.999 > 77 119 O 0.79577537842873 0.44875136265946 0.07569848753086 15.999 > 79 120 O 0.79577537842873 0.94875136265946 0.07569848753086 15.999 > 79 121 O 0.61543435907946 0.02540863738907 0.90281945333260 15.999 > 81 122 O 0.61543435907946 0.52540863738907 0.90281945333260 15.999 > 81 123 O 0.70422462157127 0.30124863734054 0.92430151246914 15.999 > 83 124 O 0.70422462157127 0.80124863734054 0.92430151246914 15.999 > 83 125 O 0.54751865555928 0.35431995032337 0.56321844724962 15.999 > 85 126 O 0.54751865555928 0.85431995032337 0.56321844724962 15.999 > 85 127 O 0.61543435907946 0.47459136261093 0.40281945333260 15.999 > 87 128 O 0.61543435907946 0.97459136261093 0.40281945333260 15.999 > 87 129 O 0.88456564092054 0.22459136261093 0.09718054666740 15.999 > 89 130 O 0.88456564092054 0.72459136261093 0.09718054666740 15.999 > 89 131 O 0.87426025211845 0.22859874103992 0.26649749768398 15.999 > 91 132 O 0.87426025211845 0.72859874103992 0.26649749768398 15.999 > 91 133 O 0.95248134444072 0.39568004967663 0.43678155275038 15.999 > 93 134 O 0.95248134444072 0.89568004967663 0.43678155275038 15.999 > 93 135 O 0.54751865555928 0.14568004967663 0.06321844724962 15.999 > 95 136 O 0.54751865555928 0.64568004967663 0.06321844724962 15.999 > 95 137 O 0.54176708741023 0.15181898838263 0.31358547117592 15.999 > 97 138 O 0.54176708741023 0.65181898838263 0.31358547117592 15.999 > 97 139 O 0.87426025211845 0.27140125896008 0.76649749768398 15.999 > 99 140 O 0.87426025211845 0.77140125896008 0.76649749768398 15.999 > 99 141 O 0.95823291258977 0.40181898838263 0.18641452882408 15.999 > 101 142 O 0.95823291258977 0.90181898838263 0.18641452882408 15.999 > 101 143 O 0.54176708741023 0.34818101161737 0.81358547117592 15.999 > 103 144 O 0.54176708741023 0.84818101161737 0.81358547117592 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2817885 0.0000000 0.0095194 0.0000000 2.2495386 0.0000000 0.0095140 0.0000000 2.3825671 -------------------------- Born effective charges -------------------------- 1 Na 1.0712426 0.0248089 -0.0342076 -0.0404407 1.0983057 0.0645439 -0.0104748 0.0261628 1.1064002 2 Na 1.1349158 0.0630106 -0.0256626 0.0353092 1.1319851 0.0687729 -0.0219554 0.0081697 0.9783918 3 Na 1.1349158 -0.0630106 -0.0256626 -0.0353092 1.1319851 -0.0687729 -0.0219554 -0.0081697 0.9783918 4 Na 1.0712426 -0.0248089 -0.0342076 0.0404407 1.0983057 -0.0645439 -0.0104748 -0.0261628 1.1064002 5 Na 1.0712426 0.0248089 -0.0342076 -0.0404407 1.0983057 0.0645439 -0.0104748 0.0261628 1.1064002 6 Na 1.1349158 -0.0630106 -0.0256626 -0.0353092 1.1319851 -0.0687729 -0.0219554 -0.0081697 0.9783918 7 Na 1.1590144 -0.0593675 0.0406966 0.0825246 1.1418127 0.0410816 -0.0385117 -0.0241637 1.1542973 8 Na 1.1349158 0.0630106 -0.0256626 0.0353092 1.1319851 0.0687729 -0.0219554 0.0081697 0.9783918 9 Na 1.0712426 -0.0248089 -0.0342076 0.0404407 1.0983057 -0.0645439 -0.0104748 -0.0261628 1.1064002 10 Na 1.1590144 0.0593675 0.0406966 -0.0825246 1.1418127 -0.0410816 -0.0385117 0.0241637 1.1542973 11 P 2.8463613 0.0445848 0.0384610 0.1286043 2.7096655 0.3613486 0.0120712 0.0289407 3.3260746 12 P 2.8463613 -0.0445848 0.0384610 -0.1286043 2.7096655 -0.3613486 0.0120712 -0.0289407 3.3260746 13 P 2.7546162 0.0000000 0.1191339 0.0000000 2.5852291 0.0000000 0.2029981 0.0000000 3.8581890 14 P 2.7546162 0.0000000 0.1191339 0.0000000 2.5852291 0.0000000 0.2029981 0.0000000 3.8581890 15 P 2.8463613 -0.0445848 0.0384610 -0.1286043 2.7096655 -0.3613486 0.0120712 -0.0289407 3.3260746 16 P 2.8463613 0.0445848 0.0384610 0.1286043 2.7096655 0.3613486 0.0120712 0.0289407 3.3260746 17 O -1.1128733 0.1871026 -0.0296232 0.1940785 -1.8697287 0.0157148 -0.0283005 0.1039450 -1.2254531 18 O -0.8822731 -0.1332854 -0.2919977 -0.1349085 -1.2208172 -0.3634719 -0.3199403 -0.4321749 -2.8664853 19 O -1.5922613 0.3020080 0.1215913 0.3445266 -1.1170485 -0.0377251 0.1156240 -0.0173883 -1.2112645 20 O -1.7762706 -0.1752245 0.3162792 -0.1652708 -1.1667592 0.1386875 0.4437473 0.1579616 -1.3670545 21 O -1.6456567 -0.4187652 -0.1747557 -0.4303281 -1.4291237 -0.1534140 -0.2730147 -0.2139541 -1.2468523 22 O -1.5922613 -0.3020080 0.1215913 -0.3445266 -1.1170485 0.0377251 0.1156240 0.0173883 -1.2112645 23 O -1.6456567 -0.4187652 -0.1747557 -0.4303281 -1.4291237 -0.1534140 -0.2730147 -0.2139541 -1.2468523 24 O -1.6456567 0.4187652 -0.1747557 0.4303281 -1.4291237 0.1534140 -0.2730147 0.2139541 -1.2468523 25 O -1.1128733 -0.1871026 -0.0296232 -0.1940785 -1.8697287 -0.0157148 -0.0283005 -0.1039450 -1.2254531 26 O -1.6456567 0.4187652 -0.1747557 0.4303281 -1.4291237 0.1534140 -0.2730147 0.2139541 -1.2468523 27 O -1.7762706 0.1752245 0.3162792 0.1652708 -1.1667592 -0.1386875 0.4437473 -0.1579616 -1.3670545 28 O -1.1128733 0.1871026 -0.0296232 0.1940785 -1.8697287 0.0157148 -0.0283005 0.1039450 -1.2254531 29 O -1.1128733 -0.1871026 -0.0296232 -0.1940785 -1.8697287 -0.0157148 -0.0283005 -0.1039450 -1.2254531 30 O -1.5922613 -0.3020080 0.1215913 -0.3445266 -1.1170485 0.0377251 0.1156240 0.0173883 -1.2112645 31 O -1.7762706 0.1752245 0.3162792 0.1652708 -1.1667592 -0.1386875 0.4437473 -0.1579616 -1.3670545 32 O -1.7762706 -0.1752245 0.3162792 -0.1652708 -1.1667592 0.1386875 0.4437473 0.1579616 -1.3670545 33 O -0.8822731 -0.1332854 -0.2919977 -0.1349085 -1.2208172 -0.3634719 -0.3199403 -0.4321749 -2.8664853 34 O -1.5922613 0.3020080 0.1215913 0.3445266 -1.1170485 -0.0377251 0.1156240 -0.0173883 -1.2112645 35 O -0.8822731 0.1332854 -0.2919977 0.1349085 -1.2208172 0.3634719 -0.3199403 0.4321749 -2.8664853 36 O -0.8822731 0.1332854 -0.2919977 0.1349085 -1.2208172 0.3634719 -0.3199403 0.4321749 -2.8664853 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 11 11 3 ] 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: 0.53, Number of G-points: 283, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 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 0.712 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.859 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.207 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 11.957 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 14.008 ( 0.000 0.000 0.000) 0.000 14.023 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 15.157 ( 0.000 0.000 0.000) 0.000 15.376 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.660 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 17.021 ( 0.000 0.000 0.000) 0.000 17.098 ( 0.000 0.000 0.000) 0.000 17.443 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 20.232 ( 0.000 0.000 0.000) 0.000 20.826 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.527 ( 0.000 0.000 0.000) 0.000 25.419 ( 0.000 0.000 0.000) 0.000 28.209 ( 0.000 0.000 0.000) 0.000 28.275 ( 0.000 0.000 0.000) 0.000 28.285 ( 0.000 0.000 0.000) 0.000 29.083 ( 0.000 0.000 0.000) 0.000 29.089 ( 0.000 0.000 0.000) 0.000 29.302 ( 0.000 0.000 0.000) 0.000 29.328 ( 0.000 0.000 0.000) 0.000 31.617 ( 0.000 0.000 0.000) 0.000 31.620 ( 0.000 0.000 0.000) 0.000 32.656 ( 0.000 0.000 0.000) 0.000 32.705 ( 0.000 0.000 0.000) 0.000 32.738 ( 0.000 0.000 0.000) 0.000 32.752 ( 0.000 0.000 0.000) 0.000 33.138 ( 0.000 0.000 0.000) 0.000 33.153 ( 0.000 0.000 0.000) 0.000 33.160 ( 0.000 0.000 0.000) 0.000 33.262 ( 0.000 0.000 0.000) 0.000 35.163 ( 0.000 0.000 0.000) 0.000 35.238 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 23.495 -1.190 20.491) 31.198 0.519 ( 3.487 -26.512 1.325) 26.773 0.924 ( 10.038 -16.481 10.360) 21.902 1.076 ( 28.203 -32.017 0.647) 42.672 1.179 ( -1.096 -9.739 3.376) 10.366 1.496 ( 21.753 -10.362 -12.578) 27.181 1.676 ( 6.290 -2.556 -0.064) 6.790 1.819 ( 2.814 -10.097 0.655) 10.502 1.923 ( 12.009 -4.850 3.654) 13.457 2.000 ( 4.113 -9.412 0.137) 10.273 2.342 ( -7.509 -4.172 3.346) 9.219 2.552 ( -6.305 -0.849 -1.786) 6.608 2.668 ( 3.591 -5.900 -2.592) 7.377 2.875 ( -8.244 -1.609 7.173) 11.046 2.965 ( 2.877 -3.175 -16.853) 17.389 3.356 ( 0.348 3.025 6.629) 7.295 3.389 ( -0.563 0.291 -3.047) 3.112 3.568 ( 5.313 1.998 8.705) 10.392 3.626 ( -0.458 -5.435 -0.700) 5.499 3.678 ( 2.551 3.049 5.356) 6.670 3.881 ( -8.322 -0.006 4.215) 9.329 4.028 ( 2.026 0.789 -6.961) 7.292 4.088 ( -1.695 1.804 3.888) 4.609 4.214 ( 9.130 6.136 2.581) 11.299 4.271 ( -5.032 5.984 2.401) 8.179 4.490 ( -4.478 2.329 -1.540) 5.277 4.768 ( 2.452 12.017 -0.806) 12.291 5.029 ( -3.483 21.555 0.195) 21.835 5.075 ( -0.950 2.369 -1.000) 2.741 5.106 ( -1.109 8.558 1.625) 8.781 5.178 ( -3.909 7.491 1.694) 8.618 5.352 ( 11.474 5.346 -0.230) 12.661 5.541 ( -0.847 8.601 -0.253) 8.646 5.684 ( -3.093 5.598 -0.224) 6.400 5.777 ( -0.924 2.315 -2.060) 3.233 5.904 ( -0.694 4.467 -2.223) 5.038 6.108 ( -5.888 -10.234 2.780) 12.130 6.141 ( -4.498 -6.812 -3.917) 9.054 6.234 ( -2.242 -10.401 1.265) 10.715 6.363 ( 4.441 -8.547 -1.300) 9.719 6.370 ( -3.672 -12.958 -1.051) 13.509 6.505 ( -1.387 1.498 3.514) 4.065 6.606 ( -0.570 -4.755 -3.911) 6.183 6.639 ( -0.453 -1.847 3.672) 4.135 6.755 ( 5.723 -0.565 2.516) 6.278 6.942 ( 3.653 -2.136 -1.285) 4.423 6.975 ( 5.217 1.974 1.473) 5.769 7.002 ( 1.231 0.576 -0.228) 1.378 7.135 ( 3.159 -2.424 -1.434) 4.232 7.222 ( -2.375 -6.197 3.656) 7.578 7.333 ( -4.466 -7.870 -0.481) 9.061 7.472 ( -1.389 -0.121 0.306) 1.428 7.554 ( 2.319 -1.010 2.251) 3.386 7.915 ( -5.789 -5.325 -23.843) 25.106 8.242 ( 8.503 11.403 7.266) 15.973 8.581 ( -7.322 13.220 -4.860) 15.875 8.907 ( -0.976 -1.441 1.156) 2.089 9.060 ( -4.757 -3.131 -3.350) 6.607 9.483 ( -0.703 0.006 3.094) 3.173 9.695 ( -2.164 -0.296 -0.800) 2.326 10.149 ( -0.341 -0.772 0.029) 0.844 10.245 ( -2.589 -4.285 -2.881) 5.776 10.427 ( 5.678 1.046 1.841) 6.060 10.624 ( -0.282 -0.451 -1.545) 1.634 11.967 ( -0.360 -0.227 0.064) 0.431 12.034 ( -0.124 -0.113 -0.196) 0.258 13.756 ( -2.648 -1.012 -3.210) 4.282 13.806 ( 1.163 -0.406 -3.570) 3.777 13.930 ( -4.264 1.142 23.188) 23.604 14.022 ( 1.759 0.028 1.577) 2.362 14.024 ( -0.063 1.039 10.903) 10.952 14.437 ( -0.110 1.147 -0.463) 1.242 14.619 ( 1.169 0.462 -0.546) 1.371 15.106 ( -3.260 3.824 -2.531) 5.626 15.400 ( -2.685 -0.175 0.936) 2.848 15.432 ( -1.559 -0.447 0.352) 1.660 15.669 ( 1.312 -0.184 0.777) 1.536 15.730 ( 1.159 -0.936 -0.622) 1.615 16.019 ( 0.005 -0.238 -0.022) 0.240 16.121 ( 15.844 7.810 -1.630) 17.739 16.939 ( -2.357 9.275 -0.392) 9.578 17.051 ( -2.552 3.987 -2.541) 5.372 17.448 ( -0.825 -0.771 1.305) 1.725 17.655 ( -2.528 0.774 0.340) 2.666 20.240 ( 0.416 0.596 8.509) 8.540 20.806 ( -1.205 1.788 -0.556) 2.226 21.505 ( -1.915 -1.047 0.545) 2.249 21.723 ( -10.480 -5.789 -2.580) 12.247 25.404 ( 0.634 8.666 29.390) 30.647 27.583 ( -28.887 44.159 -9.550) 53.625 28.233 ( -1.734 5.081 1.269) 5.517 28.287 ( -1.901 2.264 -0.483) 2.995 28.996 ( -3.161 7.776 1.118) 8.468 29.020 ( -3.259 4.890 -1.207) 6.000 29.298 ( 0.133 0.393 0.122) 0.432 29.325 ( -0.435 -0.117 -0.179) 0.485 31.693 ( 0.248 -7.206 -0.381) 7.220 31.765 ( -5.558 -7.078 0.858) 9.040 32.700 ( 8.113 6.844 -0.678) 10.636 32.719 ( 7.548 0.730 1.186) 7.675 32.798 ( 11.408 3.572 -0.740) 11.977 32.817 ( 8.239 -0.035 -0.214) 8.242 33.195 ( 1.115 -7.198 0.435) 7.297 33.277 ( 0.364 -12.927 -2.247) 13.126 33.482 ( 4.605 -27.045 3.388) 27.642 34.579 ( -45.798 -27.082 6.119) 53.557 35.294 ( 8.947 -0.832 3.674) 9.708 35.622 ( 43.909 23.108 -25.321) 55.706 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 15.706 -7.988 7.239) 19.050 0.955 ( 3.701 -20.585 5.006) 21.506 1.075 ( 0.126 -0.452 7.279) 7.294 1.338 ( 3.772 -9.802 4.204) 11.313 1.761 ( 13.127 -7.138 -10.370) 18.189 1.862 ( 8.058 -10.225 -3.282) 13.425 2.024 ( 18.894 -22.242 -4.503) 29.529 2.074 ( 13.866 -16.131 4.853) 21.818 2.205 ( 18.843 -15.300 -2.196) 24.372 2.253 ( 3.464 -12.434 -1.552) 13.000 2.410 ( 0.454 -7.504 7.131) 10.362 2.559 ( -5.177 -8.598 3.664) 10.684 2.771 ( -1.197 -1.933 4.681) 5.203 2.922 ( -3.042 -12.289 -5.619) 13.851 3.058 ( 2.288 -6.752 -9.355) 11.762 3.313 ( 0.130 2.688 -0.761) 2.796 3.365 ( -0.773 1.335 -4.955) 5.189 3.558 ( -1.544 5.006 8.028) 9.586 3.630 ( 2.631 3.357 2.557) 4.973 3.715 ( -7.290 -1.019 -0.936) 7.420 3.830 ( -0.239 -5.250 -4.538) 6.944 3.915 ( -1.069 9.998 2.047) 10.261 4.078 ( -0.226 4.769 2.288) 5.294 4.108 ( 0.150 4.818 -0.674) 4.867 4.254 ( 9.308 3.555 4.874) 11.092 4.357 ( -3.150 7.811 -1.651) 8.583 4.575 ( 2.356 8.167 -2.181) 8.776 4.620 ( -3.562 18.141 0.468) 18.493 4.756 ( -9.889 17.069 -1.241) 19.766 5.019 ( -0.626 8.715 4.211) 9.699 5.095 ( -1.786 -0.489 -1.409) 2.327 5.333 ( 4.459 6.536 -1.471) 8.048 5.531 ( -1.657 -0.951 1.688) 2.549 5.562 ( 0.205 -0.043 3.279) 3.285 5.706 ( -3.289 2.148 -0.876) 4.025 5.831 ( -1.579 3.482 -3.110) 4.928 6.189 ( -5.889 -5.099 -0.583) 7.811 6.237 ( -5.378 -5.888 1.074) 8.047 6.301 ( -4.573 -2.513 -1.223) 5.360 6.394 ( -1.925 2.947 8.090) 8.822 6.499 ( -1.016 -3.514 -5.887) 6.930 6.613 ( 0.594 -9.191 -0.782) 9.244 6.668 ( -2.445 -6.186 0.445) 6.667 6.706 ( 5.404 -7.574 2.011) 9.519 6.884 ( 2.402 -3.286 0.997) 4.190 6.956 ( 3.466 3.058 0.926) 4.714 7.019 ( 5.889 -1.057 0.013) 5.983 7.033 ( 1.686 -2.569 -0.017) 3.073 7.245 ( 5.125 -5.048 -4.010) 8.236 7.271 ( -2.401 -1.933 -0.017) 3.082 7.374 ( 4.708 2.859 1.113) 5.619 7.545 ( 1.005 -7.388 -0.712) 7.490 7.611 ( 0.433 -2.937 0.119) 2.971 7.896 ( -2.473 1.347 -7.210) 7.741 8.090 ( -0.061 11.474 5.771) 12.844 8.284 ( -7.027 10.764 -5.297) 13.903 8.901 ( -1.775 0.006 0.183) 1.784 9.068 ( -0.961 -1.100 -1.331) 1.976 9.478 ( -1.490 0.003 4.255) 4.508 9.667 ( -3.714 0.246 -0.394) 3.743 10.168 ( -0.099 -1.337 0.999) 1.671 10.263 ( -4.566 -2.433 -5.642) 7.655 10.479 ( 4.146 -0.653 4.562) 6.199 10.623 ( -1.081 -0.412 -2.799) 3.028 11.969 ( 0.050 -0.137 0.528) 0.548 12.034 ( -0.199 -0.115 -0.380) 0.445 13.748 ( -1.380 -0.579 -0.631) 1.624 13.812 ( 0.327 0.201 -2.319) 2.351 13.906 ( -0.554 1.248 12.458) 12.533 14.014 ( 0.498 1.494 5.162) 5.397 14.037 ( 2.110 0.482 1.036) 2.400 14.405 ( -0.665 2.135 -1.445) 2.663 14.617 ( 1.645 1.335 -1.698) 2.715 14.978 ( -5.230 5.157 -5.351) 9.087 15.376 ( -0.606 1.159 1.561) 2.036 15.429 ( -3.066 -1.835 1.001) 3.711 15.692 ( 2.370 -0.348 1.663) 2.916 15.765 ( 2.090 -1.377 -1.359) 2.848 16.029 ( 0.311 -0.958 -0.083) 1.010 16.139 ( 7.635 3.040 -0.051) 8.218 16.732 ( -1.866 10.160 0.612) 10.348 16.956 ( -2.226 4.541 -4.292) 6.633 17.453 ( -1.408 -0.890 0.402) 1.714 17.612 ( -3.462 0.819 0.808) 3.648 20.246 ( 0.580 0.262 7.070) 7.098 20.739 ( -2.756 3.623 -3.287) 5.615 21.523 ( -1.476 -2.859 2.100) 3.842 21.719 ( -5.481 -3.039 -2.876) 6.896 25.268 ( -1.752 8.912 13.080) 15.924 26.526 ( -25.079 42.370 -11.152) 50.483 28.095 ( -3.497 7.808 2.781) 8.996 28.197 ( -3.473 5.272 -1.529) 6.496 28.846 ( -3.221 5.391 1.525) 6.463 28.892 ( -3.520 5.344 -1.420) 6.555 29.295 ( 0.043 0.134 0.074) 0.159 29.322 ( -0.335 0.094 -0.068) 0.355 31.816 ( -0.699 -7.009 -0.048) 7.044 31.849 ( -2.084 -6.434 0.080) 6.764 32.676 ( 4.979 3.048 -0.205) 5.841 32.798 ( 10.398 0.893 0.364) 10.443 32.848 ( 6.799 0.343 -0.174) 6.810 32.907 ( 7.992 -1.673 0.101) 8.166 33.375 ( 1.233 -11.823 1.014) 11.931 33.527 ( -0.811 -15.754 -3.669) 16.196 33.969 ( 4.039 -22.099 4.316) 22.876 34.623 ( -20.385 -13.741 1.920) 24.658 35.412 ( 11.718 -0.239 5.210) 12.826 35.612 ( 20.921 11.149 -11.542) 26.366 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.325 -8.589 -19.460) 21.312 1.091 ( 1.911 -1.263 15.229) 15.400 1.321 ( 8.222 -15.083 13.829) 22.053 1.502 ( 1.441 -5.754 6.467) 8.775 1.886 ( 0.299 -2.120 -9.789) 10.021 2.067 ( 5.881 -4.593 -3.250) 8.139 2.186 ( 6.534 -4.366 -6.676) 10.311 2.453 ( 1.693 -9.045 -4.220) 10.124 2.541 ( 4.429 -6.864 3.362) 8.833 2.575 ( 10.953 -2.391 3.863) 11.858 2.604 ( 5.972 -7.314 4.111) 10.299 2.739 ( 3.300 -11.659 1.565) 12.218 2.919 ( 4.164 -16.917 0.052) 17.422 3.108 ( 4.575 -4.948 -1.141) 6.834 3.191 ( -2.531 -7.629 0.967) 8.095 3.212 ( -1.570 4.704 -2.928) 5.759 3.353 ( 0.223 -2.084 -6.627) 6.950 3.434 ( -3.684 1.750 0.094) 4.079 3.563 ( 0.807 5.920 4.461) 7.456 3.633 ( -4.960 1.431 1.679) 5.429 3.739 ( 1.964 8.021 -0.771) 8.294 3.957 ( -3.355 5.297 0.510) 6.291 3.993 ( 7.515 3.189 1.173) 8.247 4.012 ( 5.290 5.658 -2.775) 8.227 4.217 ( -4.088 0.798 -1.255) 4.350 4.247 ( 1.305 1.771 -1.118) 2.467 4.403 ( 1.390 4.586 3.254) 5.792 4.517 ( 5.387 1.904 2.711) 6.324 4.651 ( 0.108 -7.357 -5.556) 9.220 4.841 ( 1.134 10.822 1.725) 11.017 5.086 ( -0.619 0.415 -0.262) 0.790 5.260 ( -1.855 4.233 0.856) 4.701 5.444 ( -4.113 0.594 -3.112) 5.192 5.596 ( -4.294 4.393 -2.841) 6.768 5.708 ( -2.394 -6.341 3.954) 7.847 5.808 ( 1.444 -3.382 2.288) 4.331 6.130 ( -2.243 8.396 3.667) 9.433 6.209 ( -2.695 0.114 2.724) 3.833 6.247 ( -7.030 0.173 -1.143) 7.125 6.460 ( 0.104 -8.087 2.612) 8.499 6.515 ( -0.660 -0.110 -2.674) 2.757 6.699 ( -0.827 -0.830 -5.896) 6.012 6.764 ( -3.190 -5.977 3.612) 7.678 6.842 ( 1.998 0.775 -1.628) 2.691 6.915 ( 2.262 0.578 1.428) 2.737 6.956 ( 6.201 -2.301 0.789) 6.661 7.077 ( 1.455 0.168 2.778) 3.140 7.092 ( 0.373 -2.126 -2.488) 3.294 7.272 ( -2.885 -3.435 -1.260) 4.659 7.378 ( 4.369 1.406 -0.614) 4.630 7.390 ( 5.909 -4.393 -1.870) 7.597 7.585 ( 2.659 3.261 -5.817) 7.180 7.678 ( -1.006 -3.022 5.034) 5.957 7.821 ( -5.547 2.771 -0.877) 6.262 7.894 ( -2.862 7.621 3.266) 8.771 8.114 ( -2.847 4.149 -3.375) 6.059 8.889 ( -1.159 -0.380 -0.300) 1.256 9.072 ( -0.064 0.051 0.024) 0.085 9.460 ( -2.052 0.638 2.173) 3.056 9.623 ( -3.847 0.545 0.629) 3.936 10.190 ( 0.251 -0.785 2.364) 2.503 10.243 ( -4.450 -1.364 -5.658) 7.326 10.519 ( 2.193 0.222 3.790) 4.385 10.615 ( -1.385 -0.498 -2.966) 3.312 11.975 ( 0.325 -0.246 0.879) 0.969 12.032 ( -0.264 0.053 -0.618) 0.674 13.748 ( -0.318 -0.494 -0.481) 0.760 13.803 ( -0.178 0.546 -0.747) 0.942 13.905 ( 1.127 0.844 10.332) 10.427 13.997 ( 0.670 1.523 2.516) 3.017 14.050 ( 1.860 0.247 0.542) 1.953 14.341 ( -1.717 3.862 -4.646) 6.281 14.598 ( 1.072 1.963 -2.782) 3.570 14.853 ( -4.244 2.924 -4.451) 6.810 15.359 ( -0.088 0.595 1.961) 2.051 15.440 ( -3.129 -2.688 0.974) 4.239 15.727 ( 2.747 -0.592 2.578) 3.814 15.807 ( 2.430 -1.118 -2.069) 3.382 16.059 ( 1.012 -1.790 -0.093) 2.059 16.158 ( 4.459 1.469 0.515) 4.723 16.593 ( -0.103 5.385 2.459) 5.921 16.844 ( -2.536 5.282 -5.290) 7.894 17.450 ( -1.678 -0.476 -0.595) 1.843 17.572 ( -2.888 0.454 1.345) 3.218 20.259 ( 0.897 -0.070 7.026) 7.083 20.632 ( -3.500 4.564 -5.537) 7.984 21.573 ( -0.513 -3.443 2.926) 4.548 21.717 ( -3.324 -1.909 -2.867) 4.787 25.123 ( -1.579 7.281 7.846) 10.819 25.740 ( -15.094 26.593 -8.537) 31.747 27.936 ( -3.377 6.912 3.112) 8.298 28.050 ( -4.406 6.858 -2.183) 8.439 28.760 ( -1.877 2.381 1.026) 3.201 28.791 ( -2.021 3.186 -1.013) 3.907 29.294 ( 0.026 0.028 0.033) 0.051 29.315 ( -0.376 0.303 -0.032) 0.484 31.914 ( -0.853 -5.327 0.273) 5.401 31.930 ( -1.415 -4.832 -0.252) 5.041 32.685 ( 3.801 0.896 -0.130) 3.907 32.873 ( 7.880 0.358 0.017) 7.888 32.910 ( 6.042 -0.202 0.154) 6.047 33.017 ( 7.842 -2.314 0.024) 8.176 33.596 ( 1.310 -12.052 1.393) 12.203 33.764 ( -1.300 -13.550 -3.608) 14.082 34.296 ( 1.530 -13.170 3.602) 13.739 34.656 ( -12.177 -7.901 -0.145) 14.516 35.517 ( 9.795 0.589 4.268) 10.701 35.612 ( 12.651 6.108 -6.078) 15.307 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -12.711 3.439 -11.237) 17.311 1.187 ( 1.828 -6.524 -0.365) 6.785 1.523 ( 1.399 0.822 10.574) 10.698 1.646 ( 4.682 -2.716 9.451) 10.891 1.857 ( -4.733 -2.214 -7.494) 9.136 2.079 ( -1.051 5.036 2.877) 5.894 2.278 ( 2.031 -1.485 -11.294) 11.570 2.490 ( -4.174 5.318 6.367) 9.286 2.577 ( 3.121 0.045 6.175) 6.919 2.635 ( 2.061 -4.402 -6.058) 7.766 2.726 ( 2.677 -3.208 -0.685) 4.234 2.944 ( 6.352 -3.121 -3.549) 7.917 3.081 ( 1.304 -0.611 7.834) 7.966 3.168 ( 0.893 -1.099 -3.189) 3.489 3.176 ( 4.942 -2.316 -0.524) 5.483 3.355 ( 1.361 -3.212 -3.395) 4.868 3.407 ( -4.497 -4.805 -0.643) 6.613 3.468 ( 1.163 -5.704 -0.936) 5.896 3.510 ( 2.310 -0.285 4.706) 5.250 3.560 ( -6.314 1.335 -2.137) 6.799 3.741 ( 8.538 -1.514 -1.420) 8.786 3.807 ( 0.614 4.669 2.759) 5.458 3.923 ( 3.309 3.588 1.050) 4.993 4.093 ( 2.911 -3.272 -2.676) 5.132 4.144 ( 0.392 3.759 0.278) 3.790 4.398 ( 0.729 1.941 -0.328) 2.100 4.409 ( 5.759 -9.592 -2.919) 11.562 4.555 ( 4.258 -0.980 6.058) 7.469 4.714 ( 1.221 5.701 0.185) 5.833 4.826 ( 1.052 -8.411 -2.046) 8.720 5.068 ( 1.061 2.274 6.316) 6.796 5.165 ( -1.881 1.828 -4.978) 5.626 5.456 ( -2.619 -4.752 -8.703) 10.256 5.483 ( -1.897 1.782 -1.251) 2.888 5.778 ( -4.897 -6.291 6.049) 10.007 5.917 ( 2.099 -2.357 -2.355) 3.938 6.001 ( -0.822 2.259 7.797) 8.159 6.114 ( -3.051 3.638 -1.660) 5.030 6.236 ( -2.679 0.854 4.792) 5.556 6.461 ( -2.406 5.809 -7.042) 9.441 6.609 ( -2.716 -6.358 1.925) 7.177 6.626 ( 0.205 0.161 -2.550) 2.563 6.757 ( 0.445 4.373 2.692) 5.154 6.882 ( 2.074 -3.471 -0.826) 4.126 6.916 ( 2.475 0.624 -0.608) 2.624 7.043 ( 1.540 4.157 3.001) 5.353 7.077 ( 2.294 -2.743 2.571) 4.404 7.112 ( 1.180 -0.462 -2.369) 2.687 7.293 ( -6.825 -3.630 -3.782) 8.606 7.382 ( 1.481 3.062 -0.658) 3.465 7.489 ( 5.219 -1.350 1.372) 5.563 7.574 ( 1.369 1.193 -2.272) 2.908 7.615 ( -2.193 1.732 1.570) 3.205 7.765 ( -5.306 -1.771 -1.631) 5.826 7.817 ( -0.175 3.102 3.764) 4.881 8.037 ( -1.190 2.823 -2.190) 3.766 8.892 ( -0.431 -0.772 -0.371) 0.959 9.065 ( -0.035 0.734 0.564) 0.927 9.427 ( -1.868 1.026 0.046) 2.132 9.586 ( -2.617 0.283 1.096) 2.851 10.197 ( -0.229 0.389 1.890) 1.943 10.225 ( -2.556 -1.389 -3.361) 4.445 10.525 ( 0.525 0.680 1.731) 1.932 10.610 ( -0.734 -0.452 -1.700) 1.906 11.985 ( 0.481 -0.406 1.110) 1.276 12.026 ( -0.346 0.293 -0.884) 0.993 13.758 ( 0.434 -0.624 -0.666) 1.011 13.792 ( -0.171 0.456 -0.180) 0.519 13.918 ( 1.511 0.604 10.210) 10.339 13.984 ( 0.609 0.762 0.369) 1.043 14.064 ( 1.261 -0.027 0.499) 1.356 14.235 ( -2.732 4.762 -7.651) 9.418 14.574 ( 0.461 1.125 -1.909) 2.263 14.792 ( -1.992 0.736 -1.779) 2.770 15.357 ( -0.167 -0.147 1.370) 1.388 15.460 ( -2.144 -2.298 0.463) 3.177 15.768 ( 2.230 -0.989 3.397) 4.182 15.836 ( 1.790 -0.176 -2.903) 3.415 16.104 ( 1.469 -2.030 -0.237) 2.517 16.172 ( 2.425 0.821 0.821) 2.689 16.543 ( 0.746 1.625 3.900) 4.291 16.725 ( -2.567 4.926 -5.572) 7.867 17.439 ( -1.357 -0.134 -1.001) 1.692 17.546 ( -1.761 0.218 1.336) 2.222 20.283 ( 1.272 -0.662 6.667) 6.820 20.516 ( -3.245 4.298 -6.125) 8.155 21.627 ( -0.025 -2.665 2.425) 3.603 21.715 ( -1.844 -1.055 -2.238) 3.086 25.023 ( -0.301 4.072 5.983) 7.244 25.292 ( -7.945 13.677 -6.556) 17.122 27.818 ( -2.010 4.256 2.829) 5.492 27.899 ( -3.726 5.587 -2.342) 7.113 28.722 ( -0.923 0.928 0.596) 1.438 28.739 ( -0.842 1.438 -0.595) 1.770 29.294 ( 0.032 -0.011 0.013) 0.036 29.306 ( -0.318 0.319 -0.012) 0.450 31.978 ( -0.667 -2.960 -0.179) 3.040 31.986 ( -0.941 -3.254 0.204) 3.393 32.709 ( 2.592 -0.006 -0.088) 2.593 32.933 ( 4.469 -0.533 -0.064) 4.501 32.960 ( 4.695 0.356 0.169) 4.712 33.120 ( 5.840 -1.883 0.002) 6.136 33.790 ( 1.038 -8.745 1.273) 8.898 33.948 ( -0.672 -9.498 -2.721) 9.903 34.465 ( -0.376 -5.766 3.100) 6.558 34.667 ( -7.047 -4.465 -1.329) 8.448 35.584 ( 6.218 0.723 2.435) 6.717 35.625 ( 7.290 2.915 -2.884) 8.364 ======================= Grid point 5 (6/102) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -12.199 9.433 -2.774) 15.668 1.349 ( 1.604 -10.396 -6.244) 12.232 1.474 ( -1.003 4.374 9.553) 10.555 1.591 ( -1.324 4.098 -1.675) 4.621 1.738 ( -2.762 11.125 -1.791) 11.602 2.105 ( 1.215 -5.884 4.801) 7.690 2.247 ( -1.293 2.720 -4.912) 5.762 2.433 ( -1.248 0.043 4.078) 4.265 2.609 ( 1.927 -0.564 -0.219) 2.020 2.718 ( 1.867 -2.465 -2.461) 3.952 2.801 ( 1.627 -3.122 -0.488) 3.554 2.994 ( 1.887 -0.551 -2.665) 3.312 3.063 ( -1.748 3.317 5.075) 6.309 3.184 ( 1.530 -0.906 0.806) 1.952 3.243 ( 2.273 -0.554 -2.033) 3.099 3.376 ( -0.487 0.280 -0.465) 0.729 3.400 ( 1.277 0.283 0.243) 1.330 3.450 ( -6.178 2.030 -4.284) 7.787 3.508 ( 0.496 -1.094 1.805) 2.168 3.677 ( 2.554 -5.702 1.808) 6.504 3.812 ( 2.114 -2.548 -1.109) 3.491 3.891 ( 0.647 -4.472 -1.894) 4.899 3.931 ( 7.819 -0.217 5.569) 9.602 4.076 ( -2.149 -0.432 -0.463) 2.240 4.140 ( -0.927 3.734 -1.132) 4.010 4.338 ( 2.197 3.153 -1.368) 4.079 4.526 ( 0.192 -0.044 -0.383) 0.431 4.638 ( 2.232 -3.349 -2.394) 4.683 4.687 ( 1.796 -1.803 -0.276) 2.560 4.803 ( -6.263 4.909 4.518) 9.151 5.097 ( 3.805 -0.875 5.156) 6.467 5.192 ( 1.089 -2.707 -4.188) 5.104 5.448 ( -1.072 -0.733 -1.056) 1.674 5.566 ( 0.721 -6.059 -5.809) 8.425 5.836 ( -0.801 1.569 2.395) 2.973 5.883 ( 1.120 -1.637 3.793) 4.280 6.039 ( -1.715 -1.613 -2.594) 3.503 6.126 ( -1.194 -8.068 3.465) 8.862 6.146 ( -0.419 7.403 3.179) 8.068 6.284 ( -2.245 8.415 -7.509) 11.499 6.593 ( -3.895 -2.107 2.290) 4.986 6.668 ( 1.481 4.202 -2.700) 5.210 6.766 ( 0.271 -4.648 1.504) 4.892 6.929 ( 1.126 0.297 0.465) 1.254 6.958 ( 3.596 -0.630 2.316) 4.323 7.009 ( 4.140 1.957 4.897) 6.704 7.079 ( -0.739 0.456 -1.617) 1.835 7.126 ( -2.859 -0.250 -3.610) 4.612 7.274 ( -1.596 -0.763 -2.740) 3.261 7.305 ( -3.961 2.050 -0.437) 4.481 7.555 ( -0.488 -1.200 3.409) 3.647 7.568 ( 5.881 -0.423 -1.043) 5.988 7.656 ( 1.977 -1.534 1.740) 3.048 7.705 ( -4.856 1.760 -2.365) 5.681 7.782 ( -0.898 0.944 0.629) 1.446 7.993 ( -0.266 1.219 -0.758) 1.460 8.901 ( -0.040 -0.460 -0.168) 0.492 9.052 ( -0.096 0.501 0.280) 0.582 9.400 ( -0.727 0.460 -0.174) 0.878 9.567 ( -0.905 0.078 0.420) 1.001 10.187 ( -0.465 0.183 0.074) 0.505 10.227 ( -0.496 -0.453 -0.413) 0.789 10.519 ( 0.004 0.277 0.388) 0.476 10.610 ( -0.198 -0.138 -0.489) 0.545 11.999 ( 0.479 -0.478 1.123) 1.311 12.014 ( -0.414 0.442 -1.035) 1.199 13.773 ( 0.498 -0.503 -0.446) 0.837 13.784 ( -0.220 0.292 -0.068) 0.371 13.932 ( 0.794 0.241 5.573) 5.635 13.985 ( 0.539 -0.045 0.321) 0.629 14.073 ( 0.277 -0.100 -0.084) 0.306 14.138 ( -1.605 2.449 -4.772) 5.598 14.565 ( 0.156 0.280 -0.567) 0.651 14.774 ( -0.551 0.096 -0.425) 0.703 15.360 ( -0.108 -0.183 0.450) 0.498 15.474 ( -0.739 -0.885 0.080) 1.156 15.807 ( 1.034 -1.209 3.681) 4.011 15.837 ( 0.442 0.821 -3.487) 3.610 16.145 ( 0.823 -1.209 -0.426) 1.524 16.176 ( 0.707 0.560 0.704) 1.144 16.554 ( 1.294 -1.060 4.505) 4.806 16.624 ( -2.033 3.340 -5.044) 6.382 17.430 ( -0.511 -0.019 -0.472) 0.696 17.533 ( -0.588 0.080 0.555) 0.812 20.320 ( 1.337 -1.202 4.881) 5.201 20.422 ( -2.061 2.606 -4.734) 5.784 21.662 ( 0.076 -1.043 1.049) 1.482 21.713 ( -0.629 -0.285 -0.980) 1.199 24.999 ( 1.411 0.022 5.476) 5.655 25.075 ( -3.826 5.370 -5.664) 8.692 27.765 ( -0.251 1.068 2.122) 2.389 27.799 ( -1.818 2.436 -1.972) 3.623 28.708 ( -0.276 0.232 0.214) 0.419 28.719 ( -0.218 0.410 -0.214) 0.511 29.295 ( 0.018 -0.010 -0.006) 0.021 29.300 ( -0.126 0.134 0.007) 0.184 32.005 ( -0.285 -0.925 -0.139) 0.977 32.019 ( -0.305 -1.160 0.150) 1.208 32.728 ( 0.939 -0.095 -0.032) 0.944 32.971 ( 1.224 -0.644 -0.056) 1.384 32.984 ( 1.988 0.544 0.087) 2.063 33.181 ( 2.168 -0.718 0.001) 2.283 33.901 ( 0.375 -3.165 0.517) 3.229 34.058 ( 0.007 -3.665 -1.072) 3.819 34.509 ( -1.007 -0.921 1.289) 1.877 34.680 ( -1.922 -1.832 -0.678) 2.740 35.616 ( 2.123 0.301 0.751) 2.272 35.638 ( 2.421 0.834 -0.829) 2.691 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 23.133 0.000 6.846) 24.124 0.537 ( 27.327 0.000 7.718) 28.396 0.858 ( 34.221 0.000 15.186) 37.439 1.151 ( 8.217 0.000 -1.173) 8.300 1.211 ( 24.078 0.000 -0.959) 24.097 1.661 ( 31.061 0.000 -13.072) 33.700 1.747 ( 5.321 0.000 4.947) 7.265 1.813 ( 13.059 0.000 -0.462) 13.067 1.914 ( 8.352 0.000 4.201) 9.349 2.085 ( 17.157 0.000 4.563) 17.753 2.184 ( -4.408 -0.000 11.742) 12.542 2.527 ( -0.962 -0.000 -8.388) 8.443 2.610 ( -0.736 -0.000 -0.871) 1.140 2.796 ( -6.924 -0.000 6.630) 9.587 2.924 ( 0.606 0.000 -24.364) 24.372 3.357 ( -3.364 -0.000 -4.251) 5.421 3.425 ( 1.031 0.000 4.840) 4.949 3.566 ( -1.803 -0.000 3.445) 3.889 3.612 ( -4.132 -0.000 3.874) 5.664 3.770 ( -9.872 -0.000 3.338) 10.421 3.776 ( 1.710 0.000 22.458) 22.523 4.040 ( 1.668 0.000 -9.974) 10.113 4.092 ( -1.793 -0.000 2.747) 3.280 4.264 ( -5.673 -0.000 -1.321) 5.825 4.394 ( 10.729 0.000 12.293) 16.316 4.549 ( 0.614 0.000 -4.367) 4.410 4.894 ( 6.102 0.000 2.056) 6.439 5.112 ( 2.130 0.000 -0.919) 2.320 5.146 ( -9.992 -0.000 -1.819) 10.156 5.183 ( -9.146 -0.000 -0.458) 9.158 5.269 ( -7.880 -0.000 3.054) 8.451 5.593 ( -4.406 -0.000 0.660) 4.455 5.617 ( -0.227 -0.000 7.335) 7.339 5.684 ( -3.522 -0.000 -0.592) 3.571 5.710 ( -4.601 -0.000 -3.920) 6.044 5.896 ( -5.223 -0.000 -6.642) 8.450 5.939 ( -7.214 -0.000 -0.151) 7.215 5.997 ( -11.789 -0.000 0.894) 11.822 6.027 ( -5.973 -0.000 0.608) 6.004 6.221 ( 4.723 0.000 -1.623) 4.994 6.397 ( 3.259 0.000 -17.943) 18.236 6.484 ( 0.861 0.000 7.215) 7.266 6.512 ( -3.076 -0.000 5.962) 6.709 6.768 ( 2.920 0.000 -2.151) 3.627 6.771 ( 8.568 0.000 0.472) 8.581 6.864 ( -0.186 -0.000 -2.425) 2.432 6.929 ( 0.288 0.000 1.684) 1.709 7.053 ( 7.435 0.000 0.641) 7.463 7.117 ( 7.701 0.000 2.146) 7.994 7.148 ( -1.719 -0.000 4.000) 4.353 7.193 ( 7.785 0.000 -1.376) 7.905 7.562 ( 6.851 0.000 2.687) 7.360 7.572 ( 3.187 0.000 3.331) 4.610 7.782 ( 2.167 0.000 -29.869) 29.948 8.443 ( -5.706 -0.000 -5.028) 7.606 8.638 ( -6.665 -0.000 -3.429) 7.495 8.900 ( 2.670 0.000 7.853) 8.294 8.948 ( -0.466 -0.000 1.100) 1.194 9.468 ( -1.937 -0.000 0.564) 2.018 9.658 ( -4.334 -0.000 -2.159) 4.843 10.141 ( -0.433 -0.000 0.370) 0.570 10.179 ( -2.440 -0.000 -0.804) 2.569 10.495 ( 2.324 0.000 -3.232) 3.981 10.615 ( -0.405 -0.000 -3.035) 3.062 11.962 ( 0.353 0.000 0.740) 0.820 12.034 ( -0.009 -0.000 0.317) 0.317 13.723 ( 0.275 0.000 0.009) 0.275 13.796 ( -0.198 -0.000 3.843) 3.848 13.961 ( -2.570 -0.000 37.625) 37.713 14.016 ( 0.774 0.000 -0.356) 0.852 14.039 ( -1.197 -0.000 15.009) 15.056 14.448 ( -0.295 -0.000 -0.106) 0.314 14.613 ( -0.391 -0.000 -0.009) 0.391 15.087 ( -6.759 -0.000 -5.867) 8.950 15.376 ( -0.098 -0.000 -0.161) 0.188 15.447 ( 1.068 0.000 -0.077) 1.071 15.688 ( 2.754 0.000 1.490) 3.131 15.737 ( 2.309 0.000 -1.138) 2.574 16.021 ( 0.600 0.000 1.452) 1.571 16.402 ( 0.236 0.000 -6.239) 6.243 16.994 ( -2.368 -0.000 -3.833) 4.505 17.021 ( -7.146 -0.000 -1.486) 7.299 17.431 ( -1.722 -0.000 2.465) 3.007 17.626 ( -4.898 -0.000 0.716) 4.950 20.267 ( -1.651 -0.000 18.241) 18.316 20.804 ( -2.610 -0.000 -0.703) 2.703 21.473 ( -4.529 -0.000 -0.114) 4.531 21.501 ( -0.576 -0.000 -1.809) 1.898 25.539 ( -12.536 -0.000 58.824) 60.145 27.535 ( -52.789 -0.000 -17.227) 55.529 28.257 ( -2.821 -0.000 -1.666) 3.276 28.271 ( -4.623 -0.000 1.291) 4.799 29.013 ( -6.273 -0.000 -2.424) 6.725 29.024 ( -8.312 -0.000 1.951) 8.538 29.308 ( -0.001 -0.000 0.693) 0.693 29.312 ( -0.760 -0.000 -0.793) 1.098 31.634 ( 1.801 0.000 -0.184) 1.811 31.638 ( 1.695 0.000 0.204) 1.707 32.783 ( 8.271 0.000 -0.743) 8.305 32.815 ( 6.337 0.000 1.064) 6.426 33.045 ( 20.959 0.000 5.329) 21.626 33.137 ( 1.005 0.000 -3.401) 3.546 33.178 ( 6.519 0.000 0.356) 6.528 33.180 ( 2.550 0.000 0.492) 2.597 33.267 ( 2.058 0.000 -1.976) 2.853 33.796 ( 4.694 0.000 0.347) 4.707 35.416 ( 15.538 0.000 7.478) 17.244 36.174 ( 5.454 0.000 -38.811) 39.193 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 20.070 1.985 -5.169) 20.820 0.835 ( 20.169 -5.991 8.905) 22.846 1.182 ( 12.329 0.202 11.631) 16.951 1.301 ( 15.933 -8.525 1.894) 18.169 1.715 ( 28.202 -21.995 -0.432) 35.767 1.850 ( 10.387 -1.886 -7.162) 12.757 1.907 ( 15.422 -2.668 -5.782) 16.685 1.989 ( 19.872 -7.589 5.258) 21.912 2.090 ( 4.627 -9.539 4.852) 11.659 2.256 ( 5.396 -6.139 11.287) 13.935 2.305 ( 17.163 -5.652 -1.783) 18.157 2.508 ( 4.829 1.327 -2.889) 5.782 2.675 ( -2.296 -8.855 -4.414) 10.157 2.765 ( -1.275 -0.357 5.986) 6.131 2.967 ( 5.479 -5.641 -19.432) 20.963 3.316 ( -4.202 -0.235 -6.363) 7.629 3.394 ( 1.610 3.824 -1.050) 4.280 3.559 ( -5.579 -1.689 2.002) 6.163 3.615 ( -2.220 -2.660 -0.013) 3.465 3.705 ( -8.140 2.314 7.225) 11.128 3.767 ( 2.025 0.241 6.394) 6.711 4.024 ( -2.132 2.703 -5.616) 6.588 4.093 ( 0.658 -0.605 3.305) 3.424 4.192 ( -1.844 2.286 2.237) 3.692 4.429 ( 4.914 7.701 -3.196) 9.678 4.452 ( 4.682 6.986 6.621) 10.704 4.786 ( -2.740 15.751 -2.473) 16.178 4.900 ( -7.350 17.995 0.346) 19.441 5.006 ( -6.452 12.033 1.679) 13.757 5.071 ( -6.684 6.340 0.976) 9.264 5.108 ( 1.385 1.818 -2.644) 3.495 5.429 ( -3.699 3.793 4.727) 7.101 5.511 ( -0.774 1.957 2.059) 2.944 5.637 ( -0.617 3.068 2.362) 3.921 5.748 ( -0.892 2.695 -2.185) 3.582 5.840 ( -4.796 0.599 -3.683) 6.076 5.998 ( -5.985 -7.653 2.401) 10.007 6.027 ( -6.404 -10.914 -2.856) 12.972 6.106 ( -9.840 -11.275 -1.632) 15.054 6.346 ( 3.149 -7.702 -2.753) 8.764 6.435 ( -0.142 -8.609 -5.896) 10.435 6.467 ( -3.433 2.756 5.131) 6.761 6.570 ( -0.648 -4.977 5.792) 7.664 6.701 ( 2.647 -1.870 1.245) 3.472 6.790 ( -0.338 1.887 -0.532) 1.989 6.987 ( -2.684 -1.209 -0.516) 2.989 7.010 ( 0.394 -7.480 -3.747) 8.375 7.085 ( 5.120 1.829 1.672) 5.688 7.197 ( 6.008 -2.235 2.482) 6.874 7.266 ( 4.759 -1.347 -1.204) 5.091 7.329 ( 5.700 -13.175 -0.937) 14.385 7.558 ( 6.695 6.512 0.173) 9.342 7.616 ( 4.553 -0.131 2.161) 5.041 7.825 ( -0.699 -4.550 -13.981) 14.720 8.263 ( -5.867 11.374 -1.023) 12.839 8.447 ( -5.700 11.263 -0.575) 12.636 8.892 ( -0.309 1.063 3.340) 3.519 9.022 ( 0.189 -3.560 0.435) 3.592 9.456 ( -2.871 -0.774 3.538) 4.622 9.615 ( -5.715 -0.771 -2.041) 6.117 10.145 ( -0.366 -0.997 0.910) 1.399 10.177 ( -3.436 -2.190 -2.363) 4.710 10.511 ( 2.730 -0.038 0.866) 2.864 10.605 ( -1.051 -0.019 -4.145) 4.276 11.968 ( 0.321 -0.155 0.922) 0.989 12.033 ( 0.080 0.090 0.226) 0.256 13.731 ( 0.108 -0.425 -0.055) 0.442 13.807 ( -0.141 -0.473 2.173) 2.229 13.952 ( 0.805 2.119 14.682) 14.856 14.032 ( 0.773 0.153 -1.431) 1.633 14.058 ( -0.478 -0.811 14.049) 14.080 14.430 ( -0.433 1.564 -0.875) 1.844 14.624 ( -0.399 -1.087 -0.474) 1.251 14.975 ( -8.739 2.907 -9.312) 13.097 15.367 ( -0.630 0.407 0.370) 0.836 15.438 ( 0.999 1.936 0.109) 2.181 15.721 ( 3.565 0.029 1.906) 4.043 15.769 ( 3.204 -0.808 -1.763) 3.745 16.033 ( 1.682 0.059 3.388) 3.783 16.304 ( 4.606 7.595 -2.465) 9.219 16.857 ( -5.662 7.734 -0.863) 9.624 16.972 ( -4.327 1.183 -5.883) 7.398 17.422 ( -2.100 -0.765 0.948) 2.428 17.576 ( -5.476 -0.070 1.132) 5.592 20.268 ( -0.060 0.525 11.929) 11.941 20.750 ( -4.393 2.103 -3.677) 6.103 21.457 ( -2.824 -2.611 1.974) 4.323 21.569 ( -4.556 -6.718 -3.461) 8.824 25.403 ( -7.320 7.741 26.484) 28.547 26.777 ( -44.946 25.223 -18.292) 54.690 28.164 ( -6.305 4.937 2.765) 8.472 28.215 ( -5.489 1.937 -1.705) 6.065 28.891 ( -7.301 4.590 2.740) 9.048 28.918 ( -6.192 3.069 -2.496) 7.348 29.299 ( -0.127 0.320 -0.049) 0.348 29.315 ( -0.583 -0.396 0.039) 0.705 31.704 ( 1.238 -5.399 -0.157) 5.541 31.720 ( 0.145 -6.213 0.189) 6.218 32.830 ( 7.351 5.511 -0.194) 9.190 32.893 ( 10.068 -0.694 0.210) 10.094 33.008 ( 10.950 5.883 0.663) 12.448 33.060 ( 10.525 10.232 -0.478) 14.687 33.228 ( 2.067 -6.261 -0.190) 6.596 33.305 ( 3.346 -9.203 -1.503) 9.907 33.647 ( 11.410 -22.649 3.041) 25.542 34.136 ( -8.905 -22.771 0.919) 24.468 35.567 ( 15.756 1.478 8.724) 18.071 36.015 ( 11.611 15.547 -18.552) 26.846 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 11.460 2.327 -17.528) 21.071 1.092 ( 12.255 -4.290 -0.781) 13.007 1.338 ( 15.520 -3.976 26.608) 31.059 1.533 ( 12.824 0.432 7.241) 14.733 1.890 ( 4.121 -0.226 -3.808) 5.615 2.057 ( 11.630 -7.555 -17.146) 22.053 2.173 ( 5.887 -3.343 -2.562) 7.239 2.308 ( 3.268 -12.338 4.115) 13.411 2.428 ( 3.123 -8.342 9.937) 13.345 2.496 ( 14.576 -16.407 -0.074) 21.947 2.571 ( 13.984 -12.083 -2.882) 18.705 2.647 ( 16.386 -6.112 5.770) 18.416 2.787 ( 4.561 -2.174 1.662) 5.318 2.880 ( 1.233 -14.962 -4.728) 15.740 3.131 ( 8.326 -4.404 -3.453) 10.032 3.265 ( -3.718 1.524 -6.269) 7.447 3.351 ( 1.406 2.448 -4.052) 4.938 3.494 ( -5.843 6.202 5.338) 10.055 3.504 ( -10.936 2.226 0.527) 11.173 3.679 ( -1.027 -2.507 -2.698) 3.823 3.869 ( -0.067 2.723 -6.015) 6.603 3.889 ( 1.195 -3.061 4.304) 5.414 4.098 ( -4.134 1.444 1.126) 4.522 4.154 ( 0.846 5.616 8.921) 10.576 4.247 ( 0.915 12.834 -7.506) 14.896 4.367 ( -2.339 9.203 0.512) 9.509 4.561 ( -1.029 4.013 -0.576) 4.183 4.598 ( 2.553 8.389 1.431) 8.884 4.705 ( 4.968 13.252 2.503) 14.372 4.960 ( -5.213 3.910 -0.784) 6.563 5.112 ( 3.129 0.624 -3.556) 4.777 5.389 ( 1.477 2.758 5.310) 6.163 5.426 ( -4.603 5.736 -1.984) 7.618 5.596 ( -0.508 7.224 -1.724) 7.444 5.684 ( 1.378 -2.683 4.486) 5.406 5.782 ( -2.572 1.204 -1.140) 3.060 6.079 ( -5.658 -7.187 5.468) 10.657 6.119 ( -7.602 -6.022 -1.584) 9.826 6.170 ( -8.408 -5.057 -1.611) 9.943 6.373 ( -3.118 0.521 6.362) 7.104 6.482 ( 1.166 -3.506 -8.369) 9.148 6.559 ( -3.936 -8.192 -0.604) 9.109 6.635 ( -1.276 -5.211 0.645) 5.403 6.819 ( 2.287 -4.172 -1.029) 4.868 6.870 ( -2.473 -10.707 0.875) 11.023 6.967 ( -1.862 -2.248 4.174) 5.094 7.031 ( -0.733 2.906 -1.773) 3.482 7.124 ( 4.405 -0.250 -1.600) 4.693 7.285 ( 3.140 2.915 0.657) 4.334 7.323 ( 3.202 -5.642 -0.114) 6.488 7.504 ( 6.524 6.055 0.900) 8.947 7.562 ( 0.313 -9.026 -2.851) 9.470 7.654 ( 4.753 0.857 -0.743) 4.887 7.852 ( -1.148 -0.489 -3.448) 3.667 7.985 ( -6.717 12.477 -2.989) 14.482 8.228 ( -1.908 9.757 2.843) 10.340 8.878 ( -0.335 0.362 1.066) 1.174 9.062 ( 0.108 -1.279 -0.276) 1.313 9.442 ( -3.166 -0.305 3.809) 4.962 9.573 ( -5.782 -0.978 -0.747) 5.912 10.165 ( -1.863 -1.911 -0.938) 2.828 10.176 ( -2.003 -1.524 -0.459) 2.559 10.538 ( 1.210 -0.211 1.354) 1.828 10.589 ( -1.492 -0.317 -3.852) 4.143 11.976 ( 0.425 -0.179 1.152) 1.241 12.032 ( 0.089 0.151 -0.016) 0.176 13.741 ( 0.720 -0.411 -0.179) 0.848 13.809 ( -0.026 0.326 1.663) 1.695 13.949 ( 1.778 1.395 8.405) 8.703 14.026 ( 0.481 1.088 0.201) 1.206 14.074 ( 0.395 0.215 7.556) 7.569 14.382 ( -1.093 3.171 -3.670) 4.972 14.624 ( -0.575 0.689 -2.563) 2.715 14.839 ( -7.026 2.114 -7.502) 10.494 15.360 ( -0.823 -0.247 1.151) 1.437 15.412 ( 0.424 1.479 0.325) 1.573 15.755 ( 3.405 0.064 1.948) 3.923 15.815 ( 3.480 -0.929 -2.318) 4.283 16.061 ( 2.911 -0.314 4.402) 5.286 16.248 ( 3.898 4.036 -0.822) 5.670 16.688 ( -2.917 6.558 1.076) 7.258 16.883 ( -4.031 3.545 -6.895) 8.739 17.417 ( -2.322 -0.980 -0.583) 2.587 17.537 ( -4.426 -0.671 1.826) 4.835 20.277 ( 0.548 0.164 9.790) 9.806 20.652 ( -5.043 3.269 -6.748) 9.036 21.503 ( -1.171 -4.201 3.649) 5.686 21.620 ( -3.864 -4.701 -3.791) 7.169 25.236 ( -4.814 7.525 12.868) 15.665 25.979 ( -26.916 24.400 -12.921) 38.559 28.008 ( -6.319 6.059 3.926) 9.595 28.096 ( -6.569 4.762 -2.765) 8.572 28.781 ( -3.645 2.655 1.769) 4.845 28.815 ( -3.734 2.797 -1.699) 4.965 29.295 ( -0.091 0.065 -0.057) 0.126 29.313 ( -0.630 -0.047 0.062) 0.635 31.811 ( 0.340 -5.935 0.258) 5.950 31.825 ( -0.312 -5.972 -0.254) 5.986 32.793 ( 7.060 5.469 -0.090) 8.930 32.987 ( 9.258 1.033 0.258) 9.318 33.021 ( 10.328 5.741 -0.011) 11.816 33.080 ( 9.762 -0.258 0.001) 9.765 33.405 ( 1.713 -11.570 0.303) 11.701 33.522 ( 1.131 -13.065 -1.834) 13.241 34.065 ( 4.891 -17.006 2.422) 17.860 34.356 ( -9.173 -14.052 0.086) 16.781 35.667 ( 12.357 3.409 6.943) 14.578 35.876 ( 10.911 11.583 -9.411) 18.488 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.300 4.494 -16.837) 17.949 1.214 ( 11.110 2.035 1.140) 11.352 1.597 ( 6.275 -0.511 2.380) 6.730 1.649 ( 14.354 -8.628 27.287) 32.016 1.858 ( 0.477 6.532 -6.710) 9.377 2.202 ( 8.404 4.285 -6.544) 11.481 2.251 ( 5.038 -2.577 -11.167) 12.519 2.502 ( 2.021 -2.940 5.313) 6.399 2.554 ( 0.375 -4.841 1.026) 4.962 2.641 ( 3.110 -2.063 4.160) 5.589 2.748 ( 5.066 1.575 -1.652) 5.556 2.922 ( 5.907 -7.212 2.278) 9.597 3.035 ( 6.552 -9.817 0.340) 11.807 3.120 ( -4.490 -10.897 -2.906) 12.138 3.180 ( 1.001 2.050 0.150) 2.286 3.241 ( 6.677 -1.830 0.714) 6.960 3.324 ( -0.637 -0.527 -2.845) 2.963 3.372 ( -2.131 -0.803 -1.804) 2.905 3.453 ( -2.252 -3.243 0.065) 3.949 3.665 ( 0.022 5.623 0.666) 5.662 3.768 ( -1.545 -0.620 -4.075) 4.402 3.919 ( -4.451 7.971 2.427) 9.447 3.957 ( -6.088 3.176 0.287) 6.873 4.082 ( -3.334 -5.633 1.932) 6.825 4.169 ( 1.846 6.062 2.353) 6.760 4.301 ( 10.242 -3.500 -4.635) 11.774 4.533 ( 7.068 6.521 2.678) 9.983 4.645 ( 8.269 -0.888 -2.098) 8.577 4.674 ( 2.132 -4.691 2.515) 5.733 4.859 ( 1.541 4.667 -0.901) 4.997 5.127 ( 3.300 1.063 1.850) 3.930 5.239 ( -1.256 8.745 -6.404) 10.912 5.396 ( 1.822 0.523 0.974) 2.131 5.504 ( -3.486 2.631 -1.548) 4.634 5.655 ( -2.338 -1.321 2.291) 3.530 5.854 ( 0.908 -5.199 1.660) 5.533 6.043 ( -8.548 2.229 6.480) 10.956 6.114 ( -5.818 0.939 -2.832) 6.538 6.173 ( -1.127 -4.840 3.629) 6.154 6.421 ( -5.584 -5.497 -3.325) 8.512 6.515 ( 1.513 -1.870 -1.557) 2.865 6.643 ( -3.281 0.668 -2.138) 3.972 6.677 ( -5.001 -7.082 2.911) 9.145 6.845 ( -0.866 -3.421 -4.876) 6.019 6.954 ( -0.342 2.804 3.127) 4.214 7.030 ( 1.286 -5.624 -2.587) 6.323 7.063 ( -2.160 -6.132 2.316) 6.902 7.155 ( 3.211 -0.403 0.950) 3.373 7.229 ( 2.174 6.027 1.122) 6.505 7.393 ( -4.447 -1.535 -2.264) 5.221 7.488 ( 5.110 1.324 3.282) 6.216 7.633 ( -3.475 -1.212 -4.120) 5.524 7.671 ( 1.424 1.849 -3.259) 4.009 7.751 ( 4.364 7.702 3.214) 9.418 7.843 ( -2.478 1.035 -1.354) 3.008 8.092 ( -1.235 5.202 1.407) 5.529 8.878 ( 0.231 -0.393 0.138) 0.477 9.072 ( -0.161 0.020 0.012) 0.163 9.416 ( -2.900 0.237 1.254) 3.169 9.544 ( -4.515 -1.339 0.807) 4.777 10.160 ( -3.089 -1.400 -3.594) 4.942 10.203 ( 0.331 -1.424 3.612) 3.896 10.531 ( -1.061 0.562 -2.577) 2.843 10.590 ( -0.580 -0.986 -0.168) 1.156 11.985 ( 0.481 -0.293 1.344) 1.457 12.028 ( 0.023 0.363 -0.288) 0.464 13.757 ( 1.335 -0.351 -0.639) 1.522 13.803 ( 0.256 0.704 1.323) 1.521 13.953 ( 1.285 0.929 6.242) 6.441 14.008 ( 0.376 1.357 -0.263) 1.433 14.080 ( 0.280 0.307 4.955) 4.973 14.288 ( -1.912 5.157 -7.140) 9.013 14.591 ( -1.131 1.216 -2.301) 2.838 14.773 ( -3.040 -0.167 -2.732) 4.091 15.358 ( -0.270 0.089 0.863) 0.909 15.410 ( -0.325 -1.195 0.639) 1.394 15.786 ( 2.643 -0.066 2.111) 3.383 15.852 ( 2.694 -0.140 -2.995) 4.031 16.106 ( 3.531 -0.651 3.849) 5.263 16.226 ( 2.612 2.368 0.004) 3.526 16.590 ( -0.923 3.269 2.862) 4.442 16.769 ( -3.697 4.394 -6.832) 8.925 17.411 ( -2.045 -0.975 -1.565) 2.754 17.519 ( -2.922 -0.991 2.141) 3.755 20.295 ( 0.879 -0.228 8.450) 8.498 20.539 ( -4.543 3.537 -7.495) 9.451 21.572 ( -0.358 -3.990 3.491) 5.314 21.653 ( -2.506 -3.336 -3.240) 5.282 25.101 ( -2.553 5.369 7.691) 9.721 25.438 ( -13.878 15.835 -8.311) 22.637 27.868 ( -4.456 4.619 3.437) 7.280 27.943 ( -5.990 5.216 -2.827) 8.430 28.728 ( -1.606 1.083 0.939) 2.153 28.753 ( -1.640 1.531 -0.934) 2.430 29.294 ( -0.052 -0.038 -0.042) 0.077 29.307 ( -0.527 0.134 0.045) 0.545 31.906 ( 0.058 -4.869 0.273) 4.877 31.912 ( -0.310 -4.607 -0.267) 4.625 32.780 ( 5.980 3.511 -0.049) 6.935 33.017 ( 6.907 3.371 0.030) 7.686 33.045 ( 8.006 2.833 0.116) 8.493 33.172 ( 8.295 -0.031 -0.004) 8.295 33.624 ( 1.273 -11.745 0.242) 11.816 33.748 ( 0.199 -12.700 -1.200) 12.759 34.328 ( 0.963 -10.564 2.284) 10.851 34.469 ( -7.766 -9.550 -1.071) 12.356 35.703 ( 8.277 4.330 4.307) 10.286 35.792 ( 8.041 8.166 -4.883) 12.457 ======================= Grid point 16 (11/102) ======================= q-point: ( 0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 5.940 10.635 -4.652) 13.040 1.287 ( 10.328 -0.685 -2.856) 10.737 1.623 ( 6.959 5.756 7.212) 11.557 1.691 ( -1.953 8.067 -11.073) 13.838 1.946 ( 12.201 -1.745 16.291) 20.428 2.057 ( -2.055 9.536 4.372) 10.690 2.271 ( 2.054 2.848 -14.177) 14.605 2.438 ( -3.231 3.394 3.207) 5.678 2.626 ( 0.828 -1.378 2.408) 2.895 2.715 ( 7.959 -2.057 -1.064) 8.289 2.800 ( 4.790 -1.547 -0.082) 5.034 3.025 ( 1.537 -0.398 2.483) 2.947 3.110 ( 0.673 0.757 1.530) 1.835 3.157 ( -1.349 -0.739 -0.439) 1.599 3.199 ( -5.123 -3.002 -5.064) 7.804 3.261 ( -5.207 -3.346 -2.588) 6.708 3.387 ( 3.193 -3.773 -2.330) 5.464 3.452 ( -1.493 1.269 -4.635) 5.032 3.518 ( 0.209 -2.430 6.196) 6.659 3.629 ( 9.657 -3.282 3.456) 10.769 3.787 ( -2.482 -5.618 -1.824) 6.407 3.811 ( -3.486 0.752 0.448) 3.594 3.981 ( -1.035 -5.874 -1.649) 6.188 4.049 ( -0.488 6.949 4.068) 8.067 4.150 ( -0.858 -3.845 -1.045) 4.076 4.395 ( -1.178 4.028 3.076) 5.203 4.534 ( 6.655 0.611 -6.009) 8.987 4.645 ( 0.678 2.380 0.434) 2.513 4.736 ( 3.198 2.117 -0.356) 3.852 4.877 ( 5.538 2.152 4.822) 7.652 5.093 ( -0.547 1.532 -4.649) 4.925 5.199 ( 4.575 -1.502 2.570) 5.459 5.418 ( 0.270 -0.959 -2.751) 2.926 5.480 ( 2.899 -3.025 -0.932) 4.293 5.739 ( -1.538 -7.984 2.975) 8.659 5.898 ( -3.325 0.259 -1.977) 3.877 5.991 ( -1.081 -3.380 6.624) 7.514 6.040 ( -4.148 0.862 -3.545) 5.524 6.242 ( 2.542 -0.210 5.332) 5.911 6.339 ( -6.397 4.784 -10.086) 12.866 6.519 ( -6.024 0.103 6.723) 9.028 6.644 ( 0.001 -5.639 -4.423) 7.167 6.733 ( -1.975 -0.945 1.884) 2.888 6.910 ( 1.235 -1.960 2.663) 3.530 6.942 ( -3.379 -4.044 -4.136) 6.699 7.063 ( -0.815 1.579 1.799) 2.528 7.098 ( 0.435 1.195 -0.332) 1.314 7.138 ( 0.158 1.926 -2.328) 3.026 7.232 ( 2.167 -2.027 1.210) 3.205 7.322 ( -0.969 3.580 0.446) 3.735 7.534 ( 1.301 -1.754 2.494) 3.315 7.562 ( -5.975 -0.787 -2.369) 6.476 7.692 ( 4.585 0.689 -1.923) 5.019 7.724 ( 3.186 3.223 1.408) 4.746 7.800 ( -0.769 1.708 -0.033) 1.873 8.016 ( -1.521 2.581 0.556) 3.047 8.893 ( 0.730 -0.681 -0.045) 1.000 9.061 ( -0.496 0.698 -0.035) 0.857 9.392 ( -1.743 -0.080 0.303) 1.771 9.536 ( -2.863 -1.680 0.825) 3.420 10.155 ( -2.031 -1.344 -3.174) 4.001 10.231 ( 0.938 -0.665 4.474) 4.619 10.510 ( -1.436 -0.070 -3.888) 4.145 10.601 ( -0.429 -0.695 0.924) 1.233 11.997 ( 0.378 -0.398 1.323) 1.432 12.020 ( -0.034 0.584 -0.428) 0.724 13.775 ( 1.505 -0.222 -0.743) 1.693 13.794 ( 0.391 0.787 0.862) 1.230 13.945 ( -1.009 0.949 0.914) 1.659 13.995 ( 0.508 0.634 -0.795) 1.137 14.082 ( 0.146 0.199 5.158) 5.164 14.179 ( -0.818 4.514 -4.893) 6.707 14.568 ( -0.786 0.360 -0.207) 0.889 14.762 ( -0.994 -0.690 -1.024) 1.585 15.357 ( 0.111 -0.113 0.187) 0.245 15.439 ( -0.170 -2.202 0.465) 2.257 15.812 ( 1.584 -0.254 2.646) 3.094 15.858 ( 1.216 1.146 -3.726) 4.084 16.149 ( 2.748 -0.238 2.096) 3.464 16.210 ( 1.416 1.871 0.775) 2.472 16.561 ( 0.159 0.373 3.623) 3.645 16.658 ( -2.849 3.929 -5.791) 7.555 17.411 ( -1.251 -1.065 -1.482) 2.213 17.517 ( -1.590 -0.956 1.654) 2.485 20.322 ( 0.996 -0.751 6.525) 6.643 20.437 ( -3.336 2.831 -6.300) 7.670 21.632 ( -0.045 -2.740 2.183) 3.503 21.680 ( -1.299 -2.284 -2.025) 3.318 25.030 ( -0.441 2.131 5.749) 6.147 25.136 ( -6.626 8.207 -5.967) 12.119 27.783 ( -2.266 2.050 2.428) 3.903 27.818 ( -3.985 3.237 -2.242) 5.602 28.708 ( -0.610 0.299 0.453) 0.816 28.724 ( -0.541 0.645 -0.454) 0.957 29.294 ( -0.034 -0.046 -0.044) 0.072 29.301 ( -0.297 0.104 0.042) 0.318 31.971 ( 0.077 -2.855 -0.262) 2.868 31.979 ( 0.115 -3.300 0.264) 3.313 32.777 ( 4.374 2.830 -0.004) 5.210 33.016 ( 3.714 2.709 -0.046) 4.597 33.053 ( 5.344 3.689 0.090) 6.494 33.223 ( 4.933 1.566 0.005) 5.176 33.806 ( 0.537 -8.272 -0.443) 8.301 33.943 ( 0.329 -9.605 0.190) 9.612 34.446 ( -2.113 -4.581 0.810) 5.110 34.566 ( -3.453 -8.146 -0.523) 8.863 35.690 ( 4.219 4.399 2.217) 6.486 35.728 ( 4.395 5.959 -2.333) 7.763 ======================= Grid point 17 (12/102) ======================= q-point: ( 0.55 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 20.932 3.778 1.389) 21.315 1.433 ( 9.177 -4.031 -6.195) 11.783 1.525 ( 2.893 8.716 6.862) 11.464 1.649 ( 7.373 -1.156 -5.326) 9.169 1.760 ( 4.780 13.297 2.900) 14.425 2.149 ( 2.422 -0.667 5.087) 5.673 2.220 ( 0.404 0.276 -5.652) 5.673 2.414 ( -1.233 -2.268 2.465) 3.569 2.624 ( 0.077 2.698 1.088) 2.910 2.781 ( 4.351 2.976 3.096) 6.114 2.879 ( 5.236 0.332 -1.828) 5.556 3.011 ( -1.780 -1.059 0.376) 2.105 3.038 ( -0.309 4.660 2.105) 5.123 3.151 ( -4.465 1.043 -4.985) 6.773 3.197 ( -3.027 -2.858 -1.031) 4.289 3.308 ( -4.005 -6.639 -4.925) 9.185 3.352 ( -3.059 1.852 0.764) 3.656 3.476 ( 4.981 -1.665 1.111) 5.369 3.532 ( -1.188 0.743 -0.196) 1.415 3.736 ( -1.346 0.983 2.072) 2.659 3.815 ( -0.322 -0.770 2.887) 3.005 3.852 ( -1.885 -0.894 -2.006) 2.895 3.992 ( -0.545 3.891 0.545) 3.966 4.021 ( -3.006 -5.043 0.414) 5.886 4.153 ( 2.584 4.480 0.916) 5.253 4.293 ( -5.959 2.612 -1.169) 6.611 4.467 ( -5.796 -2.039 1.811) 6.405 4.643 ( -1.794 -0.279 -1.984) 2.690 4.810 ( 9.409 2.465 -3.393) 10.302 4.831 ( 6.940 3.277 3.443) 8.412 5.069 ( -2.450 1.468 -6.198) 6.824 5.246 ( 0.758 1.423 6.502) 6.698 5.449 ( 1.268 -1.759 0.003) 2.168 5.581 ( 1.273 -3.775 -0.102) 3.986 5.817 ( -1.393 -0.838 -0.109) 1.629 5.878 ( -1.975 -1.523 -0.698) 2.590 5.999 ( -2.268 -4.233 -2.448) 5.390 6.130 ( 0.897 -3.460 1.226) 3.779 6.156 ( 0.807 0.841 5.432) 5.555 6.268 ( 2.604 5.402 -3.490) 6.938 6.521 ( -5.007 -6.411 5.342) 9.732 6.672 ( -0.814 1.191 -2.267) 2.687 6.768 ( 0.228 -5.418 -0.745) 5.474 6.864 ( -7.033 5.768 -5.579) 10.671 6.949 ( -1.358 -1.125 0.349) 1.798 7.036 ( -0.178 4.150 -1.539) 4.429 7.072 ( 0.331 -2.197 2.375) 3.253 7.151 ( 3.071 0.078 -2.686) 4.081 7.245 ( -2.999 -2.251 1.230) 3.947 7.344 ( 6.499 0.250 4.904) 8.146 7.519 ( -5.545 -0.424 -2.627) 6.150 7.569 ( 1.293 -0.687 0.260) 1.487 7.686 ( 0.526 2.470 -0.953) 2.699 7.717 ( 1.858 -0.252 -0.035) 1.875 7.798 ( 3.652 0.320 0.774) 3.747 7.978 ( -1.504 0.068 1.158) 1.900 8.908 ( 0.741 -0.053 0.144) 0.757 9.047 ( -0.385 0.132 -0.387) 0.562 9.390 ( -0.354 -0.908 0.390) 1.050 9.549 ( -1.067 -1.920 0.295) 2.216 10.161 ( -1.091 -1.477 -2.926) 3.454 10.254 ( 1.817 0.120 4.966) 5.289 10.499 ( -1.398 -0.742 -4.410) 4.686 10.609 ( -0.145 -0.496 1.521) 1.607 12.002 ( -0.382 0.339 -0.400) 0.649 12.015 ( 0.522 -0.098 1.059) 1.185 13.783 ( 0.399 0.737 0.426) 0.941 13.789 ( 0.897 0.272 0.531) 1.077 13.909 ( -2.539 0.417 -7.520) 7.948 13.985 ( -0.334 0.507 -1.176) 1.324 14.089 ( 0.629 0.977 4.742) 4.882 14.132 ( 0.987 0.003 2.352) 2.551 14.559 ( -0.699 -0.017 0.846) 1.097 14.770 ( 0.138 -0.816 -0.152) 0.841 15.362 ( 0.316 -0.115 -0.475) 0.582 15.475 ( 0.661 -1.505 0.163) 1.652 15.825 ( -0.008 1.336 -0.552) 1.446 15.833 ( 0.083 0.601 -0.527) 0.804 16.163 ( 0.910 0.852 0.649) 1.406 16.187 ( 0.274 1.885 1.127) 2.213 16.560 ( -1.577 1.521 -3.827) 4.410 16.601 ( 0.779 -1.203 2.990) 3.316 17.421 ( -0.300 -1.144 -0.731) 1.391 17.525 ( -0.413 -0.953 0.713) 1.260 20.326 ( -1.404 1.424 -2.602) 3.282 20.401 ( 0.540 -1.681 2.512) 3.070 21.664 ( -0.096 -0.752 0.117) 0.767 21.704 ( -0.157 -1.585 -0.095) 1.595 24.994 ( -2.886 2.554 -4.642) 6.033 25.042 ( 1.411 -2.053 4.777) 5.387 27.749 ( -1.547 0.197 -1.789) 2.373 27.777 ( -0.375 -1.190 1.691) 2.102 28.705 ( -0.059 -0.185 0.120) 0.228 28.716 ( 0.008 -0.006 -0.120) 0.120 29.295 ( -0.049 -0.017 -0.027) 0.058 29.299 ( -0.027 -0.092 0.020) 0.098 32.008 ( 0.500 -1.099 -0.034) 1.208 32.022 ( 0.489 -1.285 0.022) 1.375 32.761 ( 2.526 2.844 0.054) 3.804 32.990 ( -0.094 2.393 -0.073) 2.396 33.023 ( 2.976 4.310 0.043) 5.238 33.208 ( 0.641 3.229 0.007) 3.292 33.902 ( -0.197 -2.659 -1.184) 2.918 34.062 ( 0.190 -3.529 1.849) 3.988 34.491 ( -0.731 -2.877 -1.408) 3.285 34.660 ( -0.344 -4.949 0.708) 5.011 35.640 ( 0.275 4.038 0.849) 4.136 35.661 ( 0.345 4.532 -0.836) 4.621 ======================= Grid point 18 (13/102) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 20.787 -3.666 4.361) 21.553 1.360 ( 0.732 12.434 3.359) 12.900 1.532 ( 8.523 -0.321 -11.281) 14.143 1.725 ( 9.809 3.067 5.618) 11.712 1.873 ( 10.278 -9.545 0.111) 14.028 2.106 ( 4.315 5.079 -2.902) 7.269 2.249 ( -2.143 -3.051 0.835) 3.821 2.458 ( 1.680 -0.883 -0.934) 2.115 2.548 ( -3.464 2.321 -0.834) 4.252 2.727 ( 1.230 5.769 7.502) 9.544 2.817 ( 1.631 7.198 0.878) 7.432 2.974 ( -1.246 4.438 0.943) 4.705 3.069 ( 0.500 0.783 -6.993) 7.054 3.083 ( -6.279 -5.194 -0.752) 8.184 3.205 ( -1.672 0.031 3.302) 3.701 3.326 ( -4.034 -3.066 -0.642) 5.107 3.356 ( -4.686 -1.922 -2.427) 5.616 3.495 ( -1.927 -0.102 -5.975) 6.279 3.546 ( -1.292 0.660 2.715) 3.079 3.634 ( -3.236 4.560 3.414) 6.552 3.741 ( -3.116 5.242 0.246) 6.103 3.816 ( 2.133 4.902 0.715) 5.394 3.859 ( -2.294 1.277 -1.775) 3.169 4.049 ( -11.143 -0.295 0.172) 11.148 4.094 ( -1.179 0.092 1.612) 1.999 4.288 ( -1.825 -5.809 -0.191) 6.092 4.543 ( 0.111 0.821 6.297) 6.352 4.605 ( 0.451 3.270 -3.780) 5.019 4.671 ( -1.398 6.026 -0.660) 6.221 4.907 ( -1.767 2.313 -4.270) 5.167 5.056 ( 8.086 -0.868 -5.019) 9.556 5.208 ( 2.819 2.327 4.119) 5.507 5.484 ( 1.710 -0.523 2.008) 2.689 5.584 ( -0.424 4.403 8.273) 9.381 5.834 ( -0.413 -3.551 -0.108) 3.576 5.858 ( 0.688 0.568 -4.166) 4.260 6.077 ( 0.050 -2.972 0.355) 2.994 6.106 ( -0.685 5.562 -2.251) 6.039 6.180 ( 2.959 -2.032 -5.182) 6.304 6.343 ( 2.185 -9.696 6.625) 11.945 6.619 ( -6.068 -4.938 3.623) 8.621 6.648 ( -3.166 -0.072 -5.790) 6.600 6.675 ( -3.789 3.127 2.845) 5.677 6.844 ( 1.606 -1.644 -3.339) 4.054 6.946 ( -0.842 -0.213 1.246) 1.519 6.997 ( 2.010 0.496 -2.469) 3.222 7.105 ( 1.425 1.111 -0.397) 1.850 7.130 ( -2.770 2.188 -1.949) 4.032 7.278 ( -2.113 -4.441 -0.568) 4.951 7.360 ( -1.996 0.852 3.595) 4.199 7.490 ( 1.457 1.875 1.329) 2.721 7.575 ( -2.161 2.483 2.804) 4.324 7.671 ( 7.557 -0.473 -2.977) 8.136 7.760 ( 0.326 -2.383 -3.123) 3.942 7.827 ( 3.498 0.578 1.196) 3.742 7.997 ( -0.383 -3.117 2.445) 3.980 8.908 ( 0.561 0.600 0.346) 0.891 9.050 ( -0.133 -0.722 -0.661) 0.988 9.416 ( 0.736 -1.693 0.531) 1.921 9.581 ( 0.654 -1.989 -0.416) 2.135 10.175 ( -0.571 -1.361 -2.615) 3.003 10.276 ( 3.053 0.522 5.511) 6.322 10.495 ( -1.787 -0.990 -4.976) 5.379 10.619 ( 0.358 -0.353 2.065) 2.125 11.988 ( -0.435 0.541 -0.755) 1.026 12.026 ( 0.461 -0.309 1.148) 1.275 13.771 ( 0.114 0.934 0.782) 1.224 13.792 ( 0.344 0.144 1.383) 1.433 13.879 ( -1.878 -0.637 -10.822) 11.002 13.973 ( -0.569 0.174 -0.733) 0.944 14.067 ( -0.589 1.396 1.498) 2.131 14.193 ( 2.039 -3.758 6.389) 7.688 14.557 ( -0.845 -0.402 1.465) 1.739 14.793 ( 1.129 -1.158 0.870) 1.836 15.362 ( 0.264 0.348 -1.409) 1.475 15.500 ( 1.848 -0.065 0.084) 1.851 15.775 ( -1.392 2.329 -3.417) 4.364 15.832 ( -0.736 0.310 2.374) 2.505 16.138 ( -0.175 2.371 1.446) 2.783 16.157 ( -1.113 1.260 -0.257) 1.701 16.518 ( -1.313 0.445 -4.049) 4.279 16.671 ( 1.621 -4.214 4.068) 6.077 17.441 ( 0.487 -1.038 0.009) 1.147 17.544 ( 0.584 -1.105 -0.169) 1.261 20.280 ( -1.455 1.254 -4.707) 5.084 20.472 ( 1.852 -4.192 4.412) 6.362 21.657 ( -0.134 1.173 -1.187) 1.674 21.729 ( 0.790 -0.943 1.111) 1.658 24.964 ( -1.014 -1.623 -4.303) 4.709 25.158 ( 3.475 -8.717 4.701) 10.496 27.762 ( 0.059 -2.934 -2.102) 3.609 27.836 ( 1.483 -4.709 1.789) 5.251 28.714 ( 0.393 -0.700 -0.210) 0.830 28.725 ( 0.326 -0.845 0.211) 0.930 29.294 ( -0.056 0.003 -0.046) 0.073 29.303 ( 0.160 -0.319 0.039) 0.359 32.017 ( 0.767 0.777 0.183) 1.107 32.031 ( 0.915 0.914 -0.213) 1.311 32.728 ( 0.976 2.887 0.126) 3.050 32.930 ( -3.405 2.693 -0.058) 4.342 32.969 ( 0.946 4.037 -0.062) 4.147 33.131 ( -3.118 4.305 0.013) 5.316 33.887 ( -0.770 3.635 -1.502) 4.008 34.068 ( 0.492 3.240 2.927) 4.394 34.515 ( 0.179 0.286 -2.816) 2.836 34.737 ( 3.697 -2.480 1.240) 4.621 35.562 ( -3.312 3.495 -0.012) 4.815 35.578 ( -3.719 3.315 0.191) 4.986 ======================= Grid point 19 (14/102) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 10.526 5.372 14.811) 18.948 1.128 ( -3.606 11.813 -13.682) 18.433 1.556 ( 9.766 7.537 -7.143) 14.255 1.679 ( 7.048 11.829 -0.481) 13.778 1.992 ( 4.042 4.154 6.738) 8.888 2.096 ( 3.756 4.086 -5.764) 8.002 2.255 ( -1.254 3.470 8.040) 8.846 2.470 ( -4.357 0.224 -4.490) 6.261 2.542 ( -1.164 -4.373 -3.266) 5.581 2.621 ( -2.227 8.921 8.206) 12.324 2.699 ( -3.516 9.429 2.265) 10.315 2.853 ( 0.965 4.417 -3.071) 5.465 3.045 ( 0.269 -0.033 -7.632) 7.637 3.112 ( -7.825 2.203 6.046) 10.131 3.141 ( 2.463 -0.570 -4.182) 4.886 3.307 ( -7.642 -0.576 8.071) 11.130 3.343 ( -5.661 -0.891 -5.056) 7.642 3.437 ( -0.318 1.402 4.275) 4.510 3.510 ( 3.399 -0.089 -8.214) 8.890 3.597 ( -4.166 -0.740 1.083) 4.367 3.699 ( 3.077 0.334 2.896) 4.239 3.845 ( 0.712 -6.936 -5.154) 8.671 3.865 ( -1.639 -2.725 5.161) 6.062 3.936 ( -4.727 0.767 -0.957) 4.884 4.133 ( -4.878 -6.150 0.993) 7.912 4.233 ( -10.444 6.510 -1.127) 12.358 4.399 ( 1.097 1.844 3.148) 3.809 4.558 ( 2.309 5.719 -6.271) 8.796 4.705 ( 0.690 -2.389 1.119) 2.727 4.794 ( -2.116 5.752 4.531) 7.622 5.129 ( 8.273 1.062 -1.062) 8.408 5.272 ( 7.687 -0.986 -2.998) 8.310 5.467 ( -2.709 2.270 3.710) 5.124 5.562 ( 3.912 -2.138 6.111) 7.564 5.834 ( -6.210 5.998 0.618) 8.656 5.891 ( 6.096 1.526 -4.206) 7.562 5.994 ( 0.867 -3.263 -5.890) 6.789 6.146 ( 0.247 -4.929 -0.554) 4.966 6.275 ( 1.512 -2.880 -1.566) 3.610 6.479 ( -1.055 -4.110 0.747) 4.309 6.514 ( -4.480 -0.481 -0.052) 4.506 6.660 ( -4.456 -2.938 4.784) 7.168 6.741 ( -0.405 -3.741 3.164) 4.916 6.858 ( 1.751 -0.122 -2.481) 3.039 6.943 ( 3.102 2.996 1.707) 4.638 6.981 ( -3.775 6.392 -4.516) 8.690 7.044 ( -0.129 -2.995 -5.483) 6.249 7.114 ( 0.103 1.374 1.859) 2.314 7.310 ( -2.607 0.918 0.041) 2.764 7.334 ( -4.005 -2.309 3.322) 5.693 7.458 ( 2.318 3.779 1.406) 4.651 7.497 ( -3.372 0.897 4.395) 5.612 7.755 ( 0.193 2.168 -3.011) 3.716 7.795 ( 5.326 -3.934 -6.261) 9.113 7.857 ( 3.777 -0.062 1.751) 4.164 8.079 ( 2.097 -5.239 3.919) 6.870 8.905 ( 0.706 0.408 0.379) 0.899 9.063 ( 0.022 -0.864 -0.413) 0.958 9.455 ( 1.032 -1.570 -0.216) 1.891 9.626 ( 1.761 -2.010 -0.729) 2.770 10.185 ( -0.317 -0.592 -1.869) 1.986 10.308 ( 4.196 0.590 6.270) 7.568 10.482 ( -2.834 -0.632 -5.689) 6.387 10.632 ( 0.789 -0.141 2.079) 2.228 11.976 ( -0.298 0.347 -0.610) 0.762 12.035 ( 0.349 -0.153 0.798) 0.885 13.762 ( 0.642 0.477 0.805) 1.135 13.796 ( -0.200 -0.318 1.741) 1.781 13.869 ( -0.785 -1.073 -9.899) 9.988 13.967 ( -0.904 -0.454 -1.182) 1.556 14.042 ( -1.043 0.813 1.328) 1.874 14.290 ( 1.387 -4.485 4.205) 6.302 14.562 ( -1.061 -1.116 1.777) 2.352 14.839 ( 2.056 -2.547 2.243) 3.968 15.354 ( -0.053 0.349 -2.110) 2.139 15.510 ( 2.883 1.508 -0.340) 3.271 15.722 ( -1.667 1.619 -2.193) 3.195 15.811 ( -1.234 1.156 1.625) 2.345 16.094 ( -0.085 2.622 1.599) 3.073 16.120 ( -2.614 0.994 -0.707) 2.884 16.519 ( -0.853 -2.363 -2.673) 3.668 16.774 ( 1.435 -5.493 3.330) 6.582 17.462 ( 0.825 -0.584 0.206) 1.032 17.573 ( 1.271 -1.368 -0.538) 1.943 20.249 ( -0.888 0.518 -4.175) 4.300 20.578 ( 1.955 -5.308 3.651) 6.732 21.623 ( 0.020 2.484 -1.613) 2.961 21.753 ( 1.529 -0.406 1.514) 2.189 25.015 ( 0.068 -5.246 -3.970) 6.579 25.441 ( 5.822 -19.735 4.512) 21.065 27.842 ( 1.150 -5.983 -1.895) 6.380 27.960 ( 2.179 -7.271 1.410) 7.720 28.737 ( 0.777 -1.596 -0.456) 1.832 28.756 ( 0.698 -2.338 0.456) 2.483 29.294 ( -0.042 -0.006 -0.053) 0.068 29.312 ( 0.203 -0.433 0.050) 0.481 31.993 ( 0.753 2.961 0.037) 3.055 32.008 ( 1.166 2.891 -0.068) 3.118 32.686 ( 0.138 2.563 0.187) 2.573 32.840 ( -5.183 2.980 -0.072) 5.979 32.906 ( -0.680 3.441 -0.155) 3.511 33.015 ( -5.122 4.474 0.029) 6.801 33.767 ( -0.885 9.027 -1.292) 9.162 33.976 ( 1.287 8.833 3.121) 9.456 34.454 ( -0.426 6.706 -2.913) 7.324 34.820 ( 8.251 -0.455 0.395) 8.273 35.463 ( -5.957 2.966 -0.589) 6.680 35.480 ( -7.725 1.997 1.414) 8.103 ======================= Grid point 20 (15/102) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -9.310 23.785 -11.266) 27.917 1.095 ( 3.919 2.745 2.166) 5.252 1.417 ( 10.342 20.943 2.692) 23.512 1.541 ( 6.657 10.039 -4.759) 12.952 1.873 ( -2.270 12.829 5.875) 14.292 1.974 ( -5.218 4.820 -3.759) 8.037 2.090 ( -2.905 13.845 4.660) 14.895 2.288 ( -13.361 15.427 1.697) 20.479 2.372 ( -7.393 14.604 -3.089) 16.657 2.436 ( -2.651 10.609 3.577) 11.505 2.503 ( -1.516 6.736 -1.409) 7.047 2.838 ( 6.864 11.795 -6.525) 15.126 2.888 ( 0.117 12.381 0.352) 12.387 3.075 ( 0.555 4.028 3.499) 5.364 3.185 ( -3.196 6.099 -0.515) 6.905 3.249 ( 1.607 -4.803 -3.462) 6.135 3.280 ( -5.765 -4.645 7.176) 10.310 3.502 ( 4.151 -3.163 -3.288) 6.169 3.547 ( 1.552 -3.741 -2.327) 4.671 3.676 ( 0.543 -9.995 -0.619) 10.029 3.771 ( -7.082 -9.574 1.943) 12.066 3.866 ( 3.438 -0.497 4.199) 5.450 3.967 ( 2.436 -2.471 -0.126) 3.472 4.059 ( 6.564 -8.730 -0.954) 10.964 4.107 ( -8.088 -2.948 -4.935) 9.922 4.222 ( -7.388 -10.103 2.928) 12.854 4.423 ( 1.626 -3.631 -1.079) 4.122 4.488 ( 1.059 2.140 0.048) 2.388 4.709 ( 4.592 -1.037 6.308) 7.871 4.798 ( -2.885 -8.451 -4.099) 9.826 5.175 ( 7.852 2.618 0.776) 8.313 5.292 ( -0.355 2.209 -1.499) 2.693 5.505 ( 1.756 -6.363 -0.859) 6.657 5.616 ( -5.879 8.224 -0.555) 10.124 5.666 ( 1.181 -3.750 1.881) 4.358 5.864 ( 3.329 4.890 -1.154) 6.027 6.145 ( 0.367 -11.104 -0.795) 11.138 6.255 ( 3.204 -4.331 -0.367) 5.400 6.315 ( -0.759 -2.867 0.779) 3.067 6.475 ( 2.099 4.912 -3.074) 6.163 6.518 ( -0.826 -0.569 2.433) 2.632 6.690 ( -3.567 -3.674 3.032) 5.951 6.731 ( 0.393 3.991 -3.069) 5.049 6.821 ( -4.648 6.196 -1.627) 7.915 6.886 ( 3.497 3.072 1.697) 4.955 6.915 ( 1.468 0.567 0.209) 1.587 7.003 ( -5.201 6.053 -3.583) 8.748 7.081 ( -2.358 0.011 1.532) 2.812 7.266 ( -2.147 4.506 -1.308) 5.160 7.301 ( -0.184 -0.143 1.830) 1.845 7.398 ( 1.168 4.934 3.633) 6.237 7.570 ( 1.059 -5.234 3.741) 6.521 7.687 ( -1.024 4.329 -1.748) 4.780 7.851 ( -0.265 -4.184 -2.542) 4.902 7.922 ( 1.192 -3.469 -3.654) 5.177 8.221 ( 4.464 -6.860 4.312) 9.251 8.911 ( 0.754 -0.195 0.234) 0.813 9.078 ( 0.404 -0.635 0.367) 0.837 9.479 ( 0.544 -0.514 -1.469) 1.649 9.675 ( 1.565 -1.726 -0.208) 2.340 10.183 ( -0.060 0.479 -0.789) 0.925 10.345 ( 4.661 1.093 6.880) 8.382 10.445 ( -4.120 0.473 -6.431) 7.653 10.641 ( 0.636 0.223 1.317) 1.479 11.970 ( -0.081 0.108 -0.305) 0.334 12.039 ( 0.205 0.057 0.399) 0.452 13.769 ( 1.522 0.091 0.639) 1.653 13.800 ( -1.172 -0.436 1.614) 2.041 13.881 ( 0.762 -1.592 -6.991) 7.210 13.969 ( -1.370 -1.116 -1.903) 2.597 14.025 ( -0.791 0.311 1.360) 1.604 14.368 ( 0.466 -3.182 1.292) 3.466 14.577 ( -1.085 -1.532 1.197) 2.227 14.926 ( 2.029 -5.019 2.423) 5.931 15.352 ( -0.190 -0.776 -1.512) 1.710 15.503 ( 2.771 2.287 -0.706) 3.661 15.687 ( -0.931 0.908 -0.747) 1.499 15.778 ( -0.898 1.613 0.800) 2.012 16.055 ( -0.122 2.008 0.815) 2.171 16.075 ( -3.097 1.036 -0.347) 3.284 16.587 ( -0.154 -6.869 -1.035) 6.949 16.885 ( 0.876 -5.731 2.002) 6.134 17.473 ( 0.609 0.200 -0.032) 0.642 17.611 ( 1.274 -1.635 -0.362) 2.104 20.234 ( -0.422 0.084 -2.814) 2.847 20.687 ( 1.284 -5.034 1.984) 5.561 21.576 ( 0.288 2.763 -1.154) 3.008 21.775 ( 1.819 -0.126 1.224) 2.196 25.125 ( 0.341 -7.741 -3.620) 8.553 25.980 ( 7.129 -36.715 3.870) 37.601 27.975 ( 1.197 -8.192 -1.324) 8.384 28.110 ( 1.547 -7.607 0.809) 7.805 28.786 ( 0.883 -3.487 -0.468) 3.628 28.823 ( 1.013 -4.746 0.460) 4.874 29.293 ( -0.026 -0.031 -0.043) 0.059 29.320 ( 0.126 -0.366 0.041) 0.389 31.930 ( 0.629 5.244 -0.114) 5.282 31.955 ( 0.913 4.466 0.103) 4.559 32.649 ( -0.057 1.735 0.198) 1.748 32.741 ( -5.107 2.641 -0.169) 5.752 32.841 ( -1.188 3.185 -0.074) 3.400 32.897 ( -4.300 3.674 0.009) 5.656 33.575 ( -0.570 12.203 -0.731) 12.238 33.800 ( 1.226 13.629 2.372) 13.888 34.264 ( -0.875 14.991 -2.291) 15.190 34.911 ( 13.253 1.110 -1.640) 13.400 35.353 ( -8.665 2.023 1.288) 8.991 35.367 ( -9.837 1.743 1.387) 10.086 ======================= Grid point 21 (16/102) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 0.000 20.828 0.000) 20.828 0.982 ( 0.000 19.604 0.000) 19.604 1.095 ( 0.000 15.403 0.000) 15.403 1.404 ( 0.000 12.382 0.000) 12.382 1.604 ( 0.000 13.555 0.000) 13.555 1.708 ( 0.000 41.049 0.000) 41.049 1.802 ( 0.000 14.678 0.000) 14.678 1.897 ( 0.000 2.161 0.000) 2.161 2.053 ( 0.000 17.493 0.000) 17.493 2.219 ( 0.000 14.658 0.000) 14.658 2.399 ( 0.000 3.433 0.000) 3.433 2.654 ( 0.000 4.621 0.000) 4.621 2.755 ( 0.000 9.357 0.000) 9.357 2.975 ( 0.000 5.217 0.000) 5.217 3.046 ( 0.000 7.618 0.000) 7.618 3.305 ( -0.000 -2.998 -0.000) 2.998 3.369 ( -0.000 -3.536 -0.000) 3.536 3.530 ( 0.000 0.399 0.000) 0.399 3.606 ( -0.000 -3.584 -0.000) 3.584 3.763 ( 0.000 6.124 0.000) 6.124 3.928 ( 0.000 0.184 0.000) 0.184 3.935 ( -0.000 -10.864 -0.000) 10.864 4.013 ( -0.000 -5.075 -0.000) 5.075 4.084 ( -0.000 -3.668 -0.000) 3.668 4.207 ( -0.000 -4.340 -0.000) 4.340 4.386 ( -0.000 -12.173 -0.000) 12.173 4.538 ( -0.000 -10.089 -0.000) 10.089 4.652 ( -0.000 -19.740 -0.000) 19.740 4.943 ( -0.000 -13.254 -0.000) 13.254 4.950 ( -0.000 -14.933 -0.000) 14.933 5.196 ( 0.000 1.423 0.000) 1.423 5.222 ( 0.000 1.895 0.000) 1.895 5.464 ( 0.000 3.449 0.000) 3.449 5.620 ( -0.000 -4.627 -0.000) 4.627 5.735 ( -0.000 -3.266 -0.000) 3.266 5.850 ( -0.000 -2.002 -0.000) 2.002 6.254 ( 0.000 4.534 0.000) 4.534 6.308 ( -0.000 -3.906 -0.000) 3.906 6.352 ( 0.000 11.218 0.000) 11.218 6.390 ( -0.000 -4.439 -0.000) 4.439 6.526 ( -0.000 -2.725 -0.000) 2.725 6.608 ( 0.000 9.202 0.000) 9.202 6.614 ( 0.000 11.983 0.000) 11.983 6.706 ( 0.000 6.141 0.000) 6.141 6.858 ( 0.000 3.982 0.000) 3.982 6.883 ( -0.000 -3.017 -0.000) 3.017 6.964 ( -0.000 -2.786 -0.000) 2.786 7.007 ( 0.000 8.166 0.000) 8.166 7.164 ( 0.000 3.354 0.000) 3.354 7.313 ( 0.000 1.385 0.000) 1.385 7.348 ( 0.000 1.057 0.000) 1.057 7.551 ( 0.000 4.545 0.000) 4.545 7.601 ( 0.000 5.556 0.000) 5.556 7.960 ( -0.000 -2.092 -0.000) 2.092 8.029 ( -0.000 -12.124 -0.000) 12.124 8.395 ( -0.000 -11.011 -0.000) 11.011 8.920 ( -0.000 -0.218 -0.000) 0.218 9.091 ( -0.000 -0.419 -0.000) 0.419 9.483 ( 0.000 0.044 0.000) 0.044 9.704 ( -0.000 -0.631 -0.000) 0.631 10.168 ( 0.000 1.096 0.000) 1.096 10.346 ( 0.000 4.106 0.000) 4.106 10.395 ( 0.000 0.307 0.000) 0.307 10.637 ( 0.000 0.616 0.000) 0.616 11.969 ( -0.000 -0.036 -0.000) 0.036 12.038 ( 0.000 0.175 0.000) 0.175 13.783 ( 0.000 0.016 0.000) 0.016 13.793 ( -0.000 -0.127 -0.000) 0.127 13.917 ( -0.000 -2.123 -0.000) 2.123 13.977 ( -0.000 -1.251 -0.000) 1.251 14.020 ( -0.000 -0.065 -0.000) 0.065 14.413 ( -0.000 -1.914 -0.000) 1.914 14.595 ( -0.000 -1.204 -0.000) 1.204 15.036 ( -0.000 -5.907 -0.000) 5.907 15.376 ( -0.000 -2.031 -0.000) 2.031 15.482 ( 0.000 2.009 0.000) 2.009 15.670 ( 0.000 0.583 0.000) 0.583 15.747 ( 0.000 1.526 0.000) 1.526 16.027 ( 0.000 1.031 0.000) 1.031 16.037 ( 0.000 1.173 0.000) 1.173 16.750 ( -0.000 -11.953 -0.000) 11.953 16.983 ( -0.000 -5.051 -0.000) 5.051 17.466 ( 0.000 0.860 0.000) 0.860 17.646 ( -0.000 -1.528 -0.000) 1.528 20.230 ( -0.000 -0.062 -0.000) 0.062 20.768 ( -0.000 -3.507 -0.000) 3.507 21.537 ( 0.000 1.933 0.000) 1.933 21.789 ( -0.000 -0.042 -0.000) 0.042 25.260 ( -0.000 -7.830 -0.000) 7.830 26.808 ( -0.000 -53.747 -0.000) 53.747 28.124 ( -0.000 -8.213 -0.000) 8.213 28.231 ( -0.000 -5.369 -0.000) 5.369 28.877 ( -0.000 -6.703 -0.000) 6.703 28.930 ( -0.000 -6.681 -0.000) 6.681 29.294 ( -0.000 -0.095 -0.000) 0.095 29.326 ( -0.000 -0.196 -0.000) 0.196 31.825 ( 0.000 7.408 0.000) 7.408 31.878 ( 0.000 4.999 0.000) 4.999 32.629 ( 0.000 0.470 0.000) 0.470 32.676 ( 0.000 1.228 0.000) 1.228 32.780 ( 0.000 2.736 0.000) 2.736 32.823 ( 0.000 2.554 0.000) 2.554 33.361 ( 0.000 11.989 0.000) 11.989 33.546 ( 0.000 16.686 0.000) 16.686 33.919 ( 0.000 24.555 0.000) 24.555 35.026 ( -0.000 -1.709 -0.000) 1.709 35.217 ( 0.000 3.186 0.000) 3.186 35.281 ( 0.000 2.532 0.000) 2.532 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 17.477 0.000 -5.622) 18.360 1.033 ( 21.682 0.000 6.370) 22.598 1.310 ( 10.444 0.000 -16.691) 19.690 1.337 ( 18.554 0.000 13.224) 22.785 1.775 ( 23.060 0.000 6.655) 24.001 1.971 ( 2.096 0.000 -8.883) 9.127 1.974 ( 17.943 0.000 0.709) 17.957 2.024 ( -0.712 -0.000 20.710) 20.722 2.167 ( 20.093 0.000 8.749) 21.915 2.293 ( 17.362 0.000 -13.172) 21.793 2.376 ( 5.398 0.000 3.805) 6.604 2.593 ( 12.854 0.000 -3.091) 13.221 2.690 ( 14.733 0.000 3.317) 15.102 2.755 ( 2.360 0.000 -1.611) 2.858 2.983 ( 15.599 0.000 -13.930) 20.913 3.254 ( -5.478 -0.000 -8.019) 9.712 3.469 ( 3.387 0.000 -3.220) 4.673 3.485 ( -8.335 -0.000 2.826) 8.801 3.544 ( -3.455 -0.000 -1.785) 3.889 3.660 ( -2.505 -0.000 5.855) 6.368 3.797 ( -4.130 -0.000 13.183) 13.815 3.976 ( -6.623 -0.000 -12.699) 14.323 4.136 ( -6.377 -0.000 0.171) 6.379 4.140 ( 4.958 0.000 7.544) 9.027 4.529 ( -0.418 -0.000 -8.074) 8.085 4.624 ( 7.963 0.000 10.354) 13.062 4.876 ( -16.916 -0.000 -5.408) 17.759 4.982 ( -0.054 -0.000 3.153) 3.154 5.003 ( -8.034 -0.000 -2.165) 8.321 5.118 ( -5.459 -0.000 1.676) 5.711 5.134 ( 1.132 0.000 -0.782) 1.375 5.505 ( -2.919 -0.000 2.372) 3.761 5.608 ( -4.918 -0.000 3.444) 6.004 5.610 ( -3.422 -0.000 2.928) 4.504 5.615 ( -4.404 -0.000 -1.705) 4.723 5.772 ( -6.430 -0.000 3.436) 7.290 5.836 ( -3.858 -0.000 -8.879) 9.681 5.854 ( -2.262 -0.000 3.311) 4.010 5.937 ( -2.991 -0.000 3.667) 4.732 6.306 ( 2.446 0.000 -8.945) 9.273 6.334 ( -3.819 -0.000 -7.560) 8.470 6.489 ( -0.801 -0.000 7.152) 7.197 6.521 ( 1.338 0.000 6.853) 6.982 6.747 ( -3.525 -0.000 -2.967) 4.607 6.872 ( 1.123 0.000 -2.559) 2.795 6.893 ( 2.831 0.000 -3.073) 4.178 6.963 ( 4.428 0.000 -2.334) 5.005 7.059 ( -5.537 -0.000 6.411) 8.471 7.222 ( 6.110 0.000 -0.789) 6.161 7.259 ( 5.946 0.000 1.800) 6.213 7.384 ( 10.939 0.000 0.935) 10.979 7.669 ( 5.695 0.000 0.158) 5.698 7.703 ( 6.473 0.000 3.178) 7.211 7.748 ( 0.254 0.000 -13.617) 13.619 8.304 ( -8.021 -0.000 0.926) 8.075 8.447 ( -11.744 -0.000 -3.761) 12.332 8.955 ( 0.988 0.000 -3.888) 4.011 8.972 ( 2.261 0.000 11.617) 11.835 9.419 ( -3.254 -0.000 2.613) 4.174 9.543 ( -6.785 -0.000 -3.342) 7.564 10.128 ( -2.556 -0.000 -0.654) 2.638 10.134 ( -0.575 -0.000 1.153) 1.289 10.527 ( 1.233 0.000 -0.545) 1.349 10.590 ( -1.209 -0.000 -4.900) 5.047 11.973 ( 0.486 0.000 1.247) 1.339 12.037 ( 0.301 0.000 0.655) 0.721 13.734 ( 1.091 0.000 -0.335) 1.142 13.809 ( 0.609 0.000 4.915) 4.952 14.009 ( 1.146 0.000 12.281) 12.334 14.026 ( 0.295 0.000 -1.762) 1.787 14.059 ( -0.141 -0.000 14.134) 14.135 14.441 ( -0.388 -0.000 0.002) 0.388 14.604 ( -0.515 -0.000 -0.362) 0.629 14.893 ( -10.475 -0.000 -13.460) 17.055 15.372 ( -0.137 -0.000 -0.344) 0.371 15.470 ( 1.355 0.000 0.056) 1.357 15.760 ( 4.016 0.000 1.391) 4.251 15.793 ( 3.947 0.000 -2.199) 4.518 16.065 ( 3.317 0.000 7.528) 8.226 16.387 ( -0.533 -0.000 -3.789) 3.826 16.866 ( -8.115 -0.000 -1.842) 8.322 16.917 ( -4.396 -0.000 -6.462) 7.816 17.395 ( -2.428 -0.000 0.732) 2.536 17.520 ( -5.953 -0.000 1.349) 6.104 20.284 ( -0.402 -0.000 12.844) 12.850 20.714 ( -6.042 -0.000 -5.221) 7.985 21.406 ( -2.241 -0.000 2.143) 3.101 21.481 ( -0.817 -0.000 -3.177) 3.281 25.411 ( -10.965 -0.000 24.689) 27.015 26.517 ( -45.941 -0.000 -19.406) 49.872 28.140 ( -9.376 -0.000 4.107) 10.236 28.166 ( -6.296 -0.000 -3.197) 7.061 28.856 ( -8.278 -0.000 3.106) 8.842 28.877 ( -6.546 -0.000 -2.794) 7.118 29.302 ( -0.284 -0.000 -1.440) 1.468 29.303 ( -0.740 -0.000 1.425) 1.606 31.679 ( 2.921 0.000 -0.280) 2.934 31.680 ( 2.659 0.000 0.270) 2.673 32.951 ( 8.657 0.000 -1.035) 8.718 32.970 ( 8.990 0.000 1.315) 9.086 33.157 ( 1.727 0.000 -1.584) 2.343 33.219 ( 6.149 0.000 1.298) 6.285 33.252 ( 5.317 0.000 -0.005) 5.317 33.254 ( 0.820 0.000 0.472) 0.946 33.592 ( 22.072 0.000 -1.851) 22.150 33.902 ( 5.576 0.000 2.733) 6.210 35.742 ( 15.006 0.000 10.075) 18.075 36.192 ( 3.359 0.000 -16.866) 17.197 ======================= Grid point 25 (18/102) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 10.007 6.359 -13.646) 18.077 1.204 ( 15.492 -1.506 -0.053) 15.565 1.434 ( 13.840 -2.196 5.579) 15.083 1.650 ( 17.797 -9.879 4.663) 20.882 1.917 ( 0.158 2.293 -5.384) 5.854 1.984 ( 5.419 -3.569 5.096) 8.251 2.126 ( 9.166 -10.982 10.280) 17.615 2.189 ( 9.125 -5.819 -0.908) 10.861 2.395 ( 3.193 -4.317 2.229) 5.814 2.415 ( 7.768 -4.087 -5.667) 10.448 2.561 ( 21.977 -9.783 1.600) 24.109 2.708 ( 5.708 0.187 1.287) 5.854 2.796 ( 19.518 -1.611 -2.778) 19.780 2.884 ( 13.568 0.602 4.883) 14.432 3.194 ( 18.159 -2.425 -5.345) 19.084 3.214 ( -2.189 -1.588 -8.008) 8.452 3.392 ( -6.338 0.513 1.077) 6.449 3.459 ( 1.893 4.220 -2.581) 5.296 3.529 ( -5.446 -1.267 -0.715) 5.637 3.619 ( -3.767 3.418 4.561) 6.832 3.801 ( -0.514 -4.966 5.354) 7.320 3.873 ( -9.878 1.359 -8.757) 13.271 4.112 ( 0.076 -0.056 -0.466) 0.476 4.169 ( -4.048 0.243 6.965) 8.059 4.452 ( 3.696 8.607 -9.609) 13.419 4.551 ( -1.928 12.115 5.731) 13.540 4.640 ( -9.076 7.183 0.631) 11.591 4.801 ( -2.323 12.384 -2.332) 12.814 4.937 ( -3.606 2.738 -2.047) 4.969 4.975 ( 1.822 10.601 3.790) 11.405 5.145 ( 3.002 0.658 -4.439) 5.399 5.420 ( 2.047 2.261 6.794) 7.448 5.488 ( -1.408 2.947 -0.719) 3.345 5.671 ( 1.437 -0.357 6.348) 6.519 5.716 ( -3.099 0.111 2.345) 3.887 5.739 ( -4.108 -3.710 -5.667) 7.922 5.866 ( -8.232 -12.713 -2.356) 15.328 5.904 ( -6.604 -7.169 6.199) 11.551 5.974 ( -1.736 -3.234 -1.636) 4.019 6.282 ( -10.776 -4.492 -3.390) 12.157 6.409 ( 2.703 -6.191 -9.521) 11.674 6.474 ( 1.082 0.964 6.387) 6.549 6.583 ( -0.327 -2.851 3.345) 4.407 6.687 ( -2.076 -2.167 -0.392) 3.026 6.837 ( 4.033 3.250 -1.836) 5.495 6.919 ( -3.688 -0.604 4.080) 5.533 6.984 ( -2.510 -6.510 -2.360) 7.366 7.149 ( 1.391 -1.553 -0.181) 2.093 7.266 ( 0.433 -3.493 0.613) 3.573 7.339 ( 3.541 -1.808 0.210) 3.981 7.481 ( 7.897 -1.080 0.890) 8.020 7.659 ( 3.271 5.010 -5.090) 7.855 7.719 ( 5.581 0.880 0.040) 5.650 7.808 ( 1.514 -2.340 -3.340) 4.350 8.130 ( -6.861 9.943 1.259) 12.146 8.308 ( -8.919 3.921 -0.996) 9.794 8.915 ( 1.372 2.899 1.084) 3.386 9.034 ( 0.429 -2.065 2.888) 3.576 9.403 ( -3.341 -0.883 3.777) 5.119 9.488 ( -6.750 -1.484 -2.671) 7.409 10.114 ( -2.286 -0.947 -1.057) 2.691 10.142 ( -0.694 -1.435 1.784) 2.392 10.539 ( 0.219 -0.449 -0.225) 0.548 10.569 ( -1.462 0.186 -4.790) 5.012 11.979 ( 0.477 -0.081 1.354) 1.438 12.039 ( 0.480 0.250 0.617) 0.821 13.748 ( 1.644 -0.162 -0.602) 1.758 13.821 ( 0.962 0.288 3.885) 4.012 13.998 ( 1.077 1.657 3.180) 3.744 14.041 ( 0.543 -0.009 -2.129) 2.197 14.082 ( -0.317 -0.310 15.703) 15.710 14.419 ( -0.375 2.124 -1.347) 2.542 14.608 ( -1.062 -0.756 -1.805) 2.227 14.774 ( -8.775 0.550 -11.450) 14.436 15.363 ( -0.046 0.738 -0.094) 0.745 15.461 ( 1.300 2.324 0.198) 2.670 15.794 ( 3.600 0.360 0.830) 3.712 15.835 ( 4.097 -0.545 -2.533) 4.848 16.108 ( 4.624 0.479 9.481) 10.560 16.341 ( 0.763 3.662 -2.577) 4.542 16.745 ( -5.719 4.537 -0.666) 7.330 16.866 ( -5.302 0.616 -7.418) 9.139 17.378 ( -2.493 -0.692 -0.305) 2.605 17.478 ( -4.928 -1.001 1.779) 5.334 20.295 ( 0.122 0.106 11.222) 11.224 20.632 ( -6.313 1.666 -7.530) 9.966 21.427 ( -0.988 -3.489 3.690) 5.173 21.507 ( -1.738 -3.960 -3.818) 5.769 25.295 ( -8.502 4.453 14.939) 17.756 25.998 ( -32.343 12.408 -14.595) 37.591 28.023 ( -8.890 3.350 4.311) 10.433 28.081 ( -7.876 2.020 -3.291) 8.772 28.778 ( -4.922 1.454 2.280) 5.616 28.808 ( -4.483 1.248 -2.155) 5.129 29.294 ( -0.389 0.084 0.010) 0.398 29.303 ( -0.747 -0.348 0.006) 0.824 31.739 ( 2.265 -3.638 0.215) 4.291 31.744 ( 2.047 -3.931 -0.231) 4.438 32.968 ( 6.985 5.945 -0.128) 9.174 33.075 ( 8.155 -1.150 0.662) 8.262 33.170 ( 6.155 0.318 -0.688) 6.201 33.221 ( 8.156 4.852 0.306) 9.495 33.276 ( 3.599 -3.945 -0.308) 5.349 33.382 ( 5.005 -6.189 -0.115) 7.960 33.876 ( 11.334 -11.662 -0.864) 16.285 34.079 ( -0.006 -11.773 1.740) 11.900 35.852 ( 11.788 3.224 8.352) 14.802 36.125 ( 5.184 8.558 -10.593) 14.571 ======================= Grid point 26 (19/102) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 4.068 5.754 -16.344) 17.799 1.374 ( 12.651 -1.698 3.292) 13.182 1.605 ( 10.968 -1.557 9.331) 14.484 1.812 ( 13.179 5.255 11.458) 18.237 1.917 ( 1.412 -0.564 -11.136) 11.240 2.227 ( 10.820 -12.413 -4.091) 16.967 2.330 ( 10.062 -0.122 -8.929) 13.453 2.420 ( 6.918 -10.991 11.480) 17.333 2.505 ( 4.137 -3.028 -1.968) 5.491 2.527 ( -2.461 -10.101 4.075) 11.166 2.815 ( 6.213 -5.629 -1.903) 8.597 2.909 ( 10.141 1.891 5.087) 11.502 2.923 ( 5.030 -4.928 -0.562) 7.064 2.978 ( 4.776 -3.562 0.604) 5.989 3.197 ( -1.430 0.580 -4.810) 5.052 3.326 ( 8.535 1.922 0.521) 8.765 3.364 ( -3.404 -1.800 2.985) 4.873 3.382 ( 0.782 5.887 1.701) 6.178 3.452 ( 5.487 4.821 -0.174) 7.306 3.607 ( -2.443 -5.188 -5.997) 8.298 3.755 ( -6.278 2.474 -4.535) 8.130 3.889 ( -6.868 -4.989 1.557) 8.630 3.997 ( -7.923 7.437 -3.596) 11.446 4.048 ( -6.349 9.529 8.564) 14.299 4.352 ( 1.728 7.637 3.602) 8.619 4.371 ( 9.218 0.711 -6.491) 11.297 4.594 ( 4.344 -0.078 1.315) 4.539 4.699 ( 6.146 1.778 -0.857) 6.455 4.828 ( 4.306 8.643 -1.819) 9.826 4.896 ( 2.489 1.987 1.208) 3.406 5.157 ( 1.778 0.080 -2.433) 3.015 5.369 ( -1.090 8.284 -3.589) 9.094 5.460 ( 5.389 0.005 5.138) 7.447 5.579 ( -0.366 7.538 0.600) 7.571 5.677 ( -2.634 4.239 -2.718) 5.683 5.773 ( -0.417 -4.475 4.521) 6.375 5.945 ( -7.665 -3.652 6.414) 10.641 5.997 ( -8.823 -7.640 -2.437) 11.922 6.043 ( -1.509 -7.912 -0.766) 8.091 6.253 ( -9.366 -6.211 -1.899) 11.397 6.485 ( -2.113 -2.894 -2.904) 4.613 6.535 ( 1.526 -5.607 -1.207) 5.935 6.595 ( -0.829 -0.840 2.443) 2.713 6.754 ( -3.467 -5.324 -2.823) 6.952 6.869 ( -2.701 -4.646 -0.378) 5.387 6.962 ( 1.316 -3.607 1.966) 4.314 7.030 ( 0.912 -1.654 4.552) 4.928 7.149 ( -0.336 -0.375 -1.066) 1.179 7.321 ( -3.852 -3.406 -1.134) 5.266 7.343 ( 1.407 3.331 0.909) 3.729 7.537 ( 0.961 0.567 -2.258) 2.519 7.612 ( 2.715 3.231 -0.617) 4.265 7.747 ( 4.872 1.519 -1.684) 5.374 7.828 ( -0.596 0.318 -2.303) 2.400 7.923 ( -0.656 8.697 2.630) 9.109 8.159 ( -5.625 4.947 0.513) 7.508 8.893 ( 1.240 1.213 0.297) 1.760 9.062 ( -0.099 -0.886 0.943) 1.298 9.385 ( -3.457 -0.458 1.393) 3.755 9.463 ( -5.491 -2.395 -0.004) 5.991 10.110 ( -1.931 -1.114 -1.517) 2.696 10.173 ( -0.364 -2.346 2.952) 3.789 10.525 ( -1.646 0.769 -4.235) 4.609 10.566 ( -0.725 -1.138 -0.315) 1.386 11.987 ( 0.417 -0.174 1.396) 1.467 12.038 ( 0.524 0.482 0.391) 0.812 13.768 ( 2.147 -0.211 -1.165) 2.452 13.825 ( 1.136 0.892 2.765) 3.120 13.982 ( -0.187 1.147 -0.480) 1.258 14.033 ( 0.475 1.114 -1.246) 1.737 14.093 ( -0.244 0.453 11.768) 11.780 14.355 ( -0.491 4.534 -4.621) 6.492 14.585 ( -2.620 0.596 -3.438) 4.364 14.719 ( -3.873 -1.843 -3.249) 5.381 15.354 ( -0.057 0.122 0.294) 0.324 15.430 ( 1.271 2.259 0.351) 2.615 15.818 ( 2.816 0.507 0.714) 2.949 15.874 ( 3.275 -0.118 -2.929) 4.395 16.156 ( 5.097 0.659 8.425) 9.869 16.292 ( 1.428 2.966 -1.425) 3.587 16.633 ( -3.110 3.479 1.303) 4.845 16.781 ( -4.868 2.492 -7.412) 9.211 17.370 ( -2.234 -1.110 -1.402) 2.862 17.466 ( -3.430 -1.846 2.182) 4.465 20.310 ( 0.461 -0.054 9.407) 9.418 20.532 ( -5.402 2.313 -8.119) 10.022 21.497 ( -0.481 -4.634 3.925) 6.092 21.558 ( -1.903 -4.440 -3.680) 6.072 25.163 ( -5.215 4.698 8.543) 11.057 25.525 ( -18.251 12.837 -9.080) 24.090 27.892 ( -6.622 3.629 3.738) 8.426 27.953 ( -7.463 3.666 -3.130) 8.884 28.728 ( -2.258 0.816 1.288) 2.724 28.755 ( -2.217 1.004 -1.282) 2.751 29.291 ( -0.282 -0.119 0.166) 0.348 29.300 ( -0.674 -0.191 -0.140) 0.714 31.829 ( 1.330 -4.660 0.350) 4.859 31.833 ( 1.127 -4.621 -0.364) 4.771 32.926 ( 6.878 5.917 -0.049) 9.073 33.129 ( 5.350 2.420 0.375) 5.884 33.211 ( 9.901 5.296 -0.058) 11.228 33.256 ( 8.781 -0.258 -0.087) 8.785 33.439 ( 2.062 -10.765 -0.611) 10.978 33.556 ( 2.441 -9.944 0.188) 10.241 34.149 ( 3.395 -12.143 0.035) 12.609 34.241 ( -3.924 -9.377 0.389) 10.172 35.877 ( 8.356 5.691 5.407) 11.465 36.011 ( 5.901 9.561 -5.915) 12.697 ======================= Grid point 27 (20/102) ======================= q-point: ( 0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.346 3.458 -8.646) 9.603 1.475 ( 13.167 4.434 3.383) 14.300 1.692 ( 4.834 -0.291 -4.149) 6.377 1.805 ( 1.538 6.213 -2.540) 6.886 1.995 ( 11.987 -3.005 12.717) 17.732 2.319 ( 4.035 9.199 -3.011) 10.486 2.416 ( 13.006 4.763 -5.522) 14.911 2.503 ( -1.461 7.323 2.036) 7.740 2.568 ( 0.589 -1.973 -1.966) 2.847 2.745 ( 4.316 -10.363 1.934) 11.391 2.814 ( 2.880 1.568 7.624) 8.299 2.946 ( -1.241 -6.007 -1.992) 6.449 3.049 ( 0.855 -3.069 -2.862) 4.283 3.069 ( -3.002 -3.646 1.349) 4.912 3.189 ( -1.230 -1.859 -5.523) 5.956 3.292 ( 4.765 6.287 -1.053) 7.959 3.320 ( -3.551 -5.753 -1.197) 6.866 3.424 ( 4.218 -0.930 7.550) 8.698 3.525 ( 4.747 -0.866 -1.039) 4.936 3.640 ( -8.616 -2.072 -2.126) 9.113 3.700 ( 5.650 0.131 0.079) 5.652 3.804 ( -6.606 4.517 2.308) 8.329 3.845 ( -3.472 -4.543 0.131) 5.719 4.007 ( -3.386 -5.959 -4.145) 8.010 4.226 ( 0.826 9.311 6.733) 11.520 4.471 ( 3.894 1.972 -1.898) 4.760 4.626 ( 3.671 1.283 -3.213) 5.044 4.701 ( 0.603 5.069 -0.627) 5.143 4.803 ( 8.104 0.933 0.077) 8.158 4.950 ( 8.729 -1.061 1.512) 8.922 5.170 ( 0.260 1.702 3.903) 4.266 5.213 ( 1.086 5.429 -6.898) 8.845 5.472 ( 2.786 5.255 0.473) 5.967 5.511 ( 4.901 1.145 2.231) 5.505 5.630 ( -0.732 -2.538 0.189) 2.648 5.826 ( -5.211 -3.123 0.411) 6.089 5.929 ( -2.490 -2.702 4.908) 6.130 5.978 ( -7.006 -1.824 -5.026) 8.814 6.178 ( -0.826 -8.247 2.318) 8.606 6.285 ( -6.605 -3.924 -6.048) 9.778 6.484 ( -4.507 -0.715 3.160) 5.551 6.598 ( 0.830 0.150 -2.255) 2.407 6.661 ( 0.686 -5.753 3.154) 6.596 6.799 ( -2.592 -4.432 -4.023) 6.523 6.875 ( -4.084 -3.020 1.757) 5.375 7.031 ( 0.051 -2.512 -2.797) 3.760 7.106 ( 2.878 -1.357 6.175) 6.946 7.156 ( -2.527 -1.737 -0.120) 3.069 7.262 ( -0.585 4.273 -0.352) 4.327 7.339 ( -3.504 -2.632 -1.356) 4.588 7.503 ( 0.136 2.664 -1.915) 3.284 7.573 ( 0.864 2.705 1.722) 3.321 7.753 ( 3.590 2.307 -1.949) 4.691 7.784 ( -1.509 2.244 0.536) 2.757 7.852 ( 3.046 2.914 1.115) 4.360 8.046 ( -3.757 3.339 0.399) 5.042 8.897 ( 1.578 -0.093 -0.105) 1.585 9.065 ( -0.474 0.327 0.277) 0.638 9.366 ( -2.477 -0.677 0.421) 2.602 9.463 ( -4.183 -2.881 0.447) 5.099 10.112 ( -1.356 -1.209 -1.709) 2.494 10.217 ( 0.262 -2.306 4.102) 4.713 10.491 ( -1.735 0.463 -4.934) 5.251 10.579 ( -0.903 -1.221 0.528) 1.608 11.996 ( 0.253 -0.262 1.273) 1.324 12.033 ( 0.458 0.739 0.222) 0.897 13.790 ( 2.217 -0.033 -1.544) 2.701 13.820 ( 1.141 1.224 1.798) 2.456 13.947 ( -2.519 1.349 -4.140) 5.031 14.014 ( 0.340 1.306 -0.798) 1.568 14.096 ( 0.299 0.425 9.480) 9.494 14.258 ( 0.100 5.436 -3.909) 6.696 14.558 ( -1.801 -0.169 -0.328) 1.839 14.727 ( -1.568 -1.910 -1.228) 2.759 15.357 ( 0.053 -0.235 0.133) 0.275 15.421 ( 1.081 0.006 0.472) 1.179 15.832 ( 1.886 0.460 1.074) 2.219 15.887 ( 1.860 1.054 -3.279) 3.915 16.194 ( 4.158 1.104 5.398) 6.902 16.260 ( 1.236 2.302 -0.384) 2.641 16.574 ( -1.315 1.317 2.454) 3.080 16.683 ( -3.623 3.138 -6.029) 7.702 17.372 ( -1.560 -1.508 -1.647) 2.724 17.476 ( -2.153 -1.991 1.933) 3.512 20.328 ( 0.587 -0.361 7.226) 7.259 20.439 ( -4.031 2.329 -6.900) 8.324 21.575 ( -0.216 -4.174 2.900) 5.087 21.610 ( -1.352 -3.884 -2.721) 4.931 25.069 ( -2.395 2.958 5.458) 6.654 25.205 ( -8.992 9.013 -5.685) 13.943 27.794 ( -3.963 2.283 2.627) 5.275 27.827 ( -5.439 3.222 -2.424) 6.771 28.707 ( -0.911 0.240 0.636) 1.136 28.727 ( -0.861 0.521 -0.648) 1.197 29.292 ( -0.179 -0.155 0.195) 0.306 29.297 ( -0.433 -0.096 -0.181) 0.479 31.914 ( 0.687 -4.047 -0.217) 4.111 31.918 ( 0.811 -4.242 0.204) 4.324 32.896 ( 6.150 5.018 0.008) 7.937 33.111 ( 3.155 4.100 0.069) 5.174 33.204 ( 8.333 5.951 0.046) 10.240 33.316 ( 6.769 2.391 -0.016) 7.179 33.644 ( 0.948 -11.025 -1.077) 11.118 33.761 ( 0.960 -11.814 1.029) 11.897 34.329 ( -2.480 -6.353 -0.026) 6.820 34.363 ( -2.270 -11.339 0.002) 11.564 35.836 ( 5.080 6.880 2.959) 9.050 35.899 ( 4.507 8.871 -3.044) 10.405 ======================= Grid point 28 (21/102) ======================= q-point: ( 0.55 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 7.579 0.066 0.547) 7.599 1.536 ( 14.144 2.031 -1.139) 14.335 1.651 ( 1.571 4.463 -12.826) 13.671 1.748 ( 4.043 5.012 6.497) 9.148 2.066 ( 2.329 15.533 2.697) 15.937 2.200 ( 10.208 -0.964 11.504) 15.410 2.278 ( -1.775 8.474 -4.288) 9.662 2.422 ( 4.214 3.593 -5.138) 7.554 2.624 ( -0.539 -2.810 1.524) 3.241 2.876 ( 2.204 -0.325 3.202) 3.901 2.882 ( 5.776 -0.644 2.446) 6.306 3.019 ( -2.766 -4.138 1.878) 5.319 3.040 ( -2.575 2.645 2.879) 4.681 3.110 ( 1.455 -3.742 -4.052) 5.704 3.176 ( -3.303 -2.588 -8.419) 9.407 3.231 ( 4.830 5.526 -2.664) 7.808 3.365 ( -2.718 1.466 -0.893) 3.214 3.475 ( -2.828 1.973 0.820) 3.545 3.537 ( 4.748 -1.673 3.078) 5.901 3.662 ( -9.428 -4.985 2.103) 10.871 3.702 ( -3.940 -7.754 -3.226) 9.276 3.852 ( 9.305 -2.259 2.265) 9.839 3.958 ( 0.908 -4.547 -0.538) 4.668 4.056 ( 0.036 3.984 0.930) 4.092 4.127 ( -3.340 -7.438 0.995) 8.214 4.350 ( -3.441 9.811 4.228) 11.223 4.502 ( -4.931 12.635 -4.606) 14.324 4.618 ( -3.795 1.541 -0.728) 4.160 4.883 ( 8.555 -0.880 -3.720) 9.370 4.999 ( 5.356 5.088 3.418) 8.139 5.115 ( 5.450 3.361 -3.177) 7.148 5.234 ( -1.801 -2.548 4.531) 5.501 5.448 ( 2.520 0.471 -0.804) 2.686 5.566 ( 4.456 -0.849 2.400) 5.132 5.699 ( -2.929 -6.709 -1.295) 7.434 5.817 ( -4.024 -2.843 0.115) 4.929 5.937 ( -3.882 -1.111 -7.289) 8.333 6.032 ( 3.321 -6.616 3.912) 8.373 6.227 ( -3.671 2.633 -3.022) 5.435 6.313 ( -2.472 -8.663 4.313) 9.988 6.416 ( -0.257 6.112 6.053) 8.606 6.624 ( -1.578 -3.709 -5.189) 6.571 6.727 ( 1.625 -1.587 2.086) 3.084 6.844 ( -2.982 -2.823 -8.153) 9.129 6.920 ( -1.357 -1.931 5.691) 6.161 7.021 ( -2.806 -0.090 -4.200) 5.052 7.088 ( -0.654 3.310 3.047) 4.546 7.155 ( -3.948 -2.680 -0.799) 4.839 7.241 ( 5.391 2.430 0.966) 5.992 7.354 ( -4.625 -3.553 -1.518) 6.027 7.490 ( 4.083 0.325 1.680) 4.427 7.560 ( -0.153 -0.244 0.678) 0.737 7.735 ( 1.347 1.969 -1.311) 2.723 7.739 ( -0.007 2.114 0.834) 2.273 7.850 ( 3.167 1.175 0.540) 3.421 7.971 ( -3.312 1.643 0.437) 3.723 8.917 ( 1.651 -0.161 0.080) 1.661 9.048 ( -0.652 0.654 -0.269) 0.962 9.365 ( -1.190 -1.214 0.503) 1.773 9.485 ( -2.560 -3.470 0.240) 4.319 10.123 ( -0.821 -1.434 -1.882) 2.505 10.263 ( 1.143 -1.611 5.037) 5.411 10.468 ( -1.636 -0.263 -5.393) 5.642 10.592 ( -0.689 -1.177 0.929) 1.651 12.002 ( -0.092 -0.043 0.569) 0.578 12.025 ( 0.478 0.607 0.543) 0.945 13.803 ( 1.237 0.578 -0.042) 1.366 13.811 ( 1.332 1.046 0.438) 1.749 13.887 ( -3.312 1.272 -6.933) 7.788 13.994 ( -0.139 1.034 -0.961) 1.419 14.110 ( 0.813 -0.152 7.933) 7.976 14.177 ( 0.648 3.998 -1.019) 4.176 14.550 ( -1.052 -0.307 0.856) 1.391 14.747 ( -0.452 -1.727 -0.537) 1.864 15.362 ( 0.392 -0.211 -0.215) 0.494 15.449 ( 0.807 -1.885 0.267) 2.067 15.840 ( 0.919 0.416 1.543) 1.843 15.864 ( 0.431 2.393 -3.289) 4.090 16.203 ( 2.131 1.924 2.211) 3.624 16.231 ( 0.680 2.327 0.749) 2.537 16.560 ( -0.997 0.259 -0.408) 1.108 16.607 ( -1.168 1.612 -1.262) 2.357 17.388 ( -0.763 -1.827 -1.198) 2.314 17.496 ( -1.057 -1.844 1.243) 2.462 20.335 ( -1.102 1.200 -0.093) 1.632 20.382 ( -0.802 -0.512 0.068) 0.954 21.635 ( -0.097 -2.609 1.019) 2.803 21.658 ( -0.613 -3.179 -0.961) 3.377 25.018 ( -3.331 3.792 -2.122) 5.475 25.041 ( -0.987 1.190 2.189) 2.680 27.739 ( -2.694 1.225 -1.431) 3.287 27.757 ( -2.000 -0.025 1.392) 2.437 28.701 ( -0.278 -0.112 0.257) 0.394 28.717 ( -0.189 0.136 -0.263) 0.351 29.293 ( -0.109 -0.095 0.121) 0.188 29.296 ( -0.158 -0.138 -0.121) 0.242 31.979 ( 0.640 -2.817 -0.177) 2.895 31.988 ( 0.633 -3.131 0.163) 3.198 32.864 ( 4.678 4.920 0.064) 6.789 33.054 ( 0.493 4.560 -0.048) 4.587 33.162 ( 5.848 6.739 0.030) 8.923 33.297 ( 2.684 5.031 0.010) 5.702 33.810 ( 0.127 -7.690 -1.371) 7.813 33.955 ( 0.505 -9.283 1.885) 9.486 34.402 ( -2.090 -5.591 -1.270) 6.103 34.524 ( -1.422 -9.401 0.701) 9.534 35.751 ( 1.974 7.212 1.407) 7.609 35.783 ( 2.016 8.165 -1.405) 8.527 ======================= Grid point 29 (22/102) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 10.825 -4.928 3.074) 12.285 1.557 ( 2.634 7.111 -2.928) 8.128 1.668 ( 12.871 5.665 -2.540) 14.291 1.761 ( 3.722 -7.724 -4.020) 9.470 1.908 ( 8.295 4.588 6.571) 11.534 2.176 ( -3.326 1.045 1.894) 3.968 2.285 ( 10.526 4.053 -2.937) 11.655 2.439 ( 2.759 -1.463 -0.011) 3.123 2.618 ( -0.917 3.253 2.658) 4.300 2.828 ( -7.599 1.749 1.372) 7.917 2.901 ( 5.571 4.519 2.930) 7.749 2.972 ( -1.948 0.925 4.976) 5.424 3.044 ( 0.875 2.706 -2.151) 3.565 3.137 ( -0.230 2.211 -1.559) 2.715 3.197 ( 6.724 1.367 0.576) 6.885 3.215 ( -3.882 -2.834 -9.113) 10.303 3.319 ( -1.881 0.728 2.851) 3.492 3.405 ( -8.544 -1.278 -9.361) 12.738 3.565 ( -4.579 2.031 4.318) 6.613 3.626 ( 1.170 -1.513 0.230) 1.927 3.788 ( -4.510 -3.281 0.809) 5.635 3.858 ( -1.352 4.374 5.341) 7.035 3.943 ( -0.874 6.161 -1.320) 6.361 4.048 ( 2.302 2.113 -1.202) 3.348 4.130 ( -6.438 11.802 1.647) 13.544 4.221 ( 2.316 0.302 -2.356) 3.317 4.397 ( -1.509 -13.543 1.860) 13.753 4.576 ( -4.715 -1.954 -0.113) 5.106 4.872 ( -1.678 11.326 1.577) 11.558 4.935 ( 1.699 3.966 -4.864) 6.502 5.145 ( 10.611 0.454 -2.488) 10.908 5.248 ( 0.272 -1.124 3.898) 4.066 5.478 ( 1.067 -1.364 -0.278) 1.754 5.590 ( -1.087 0.305 2.850) 3.066 5.783 ( -2.067 -5.946 -1.810) 6.550 5.851 ( 0.483 -1.785 0.514) 1.919 5.962 ( -0.463 -5.316 -3.964) 6.647 6.162 ( 0.491 1.896 1.777) 2.645 6.173 ( -0.288 -4.136 4.304) 5.976 6.331 ( 3.747 3.043 0.534) 4.856 6.425 ( -6.163 -6.764 3.152) 9.679 6.642 ( -0.094 0.165 -3.774) 3.779 6.710 ( -3.469 4.727 -3.989) 7.091 6.839 ( 3.647 -1.926 -0.765) 4.195 6.908 ( -3.409 -0.103 3.068) 4.588 7.023 ( -2.173 -0.332 -1.873) 2.888 7.068 ( 0.044 -2.648 0.889) 2.793 7.147 ( -4.569 0.195 -2.274) 5.107 7.243 ( 2.407 0.859 -1.275) 2.856 7.360 ( 0.109 0.700 0.691) 0.990 7.535 ( 2.708 0.457 1.998) 3.396 7.573 ( -2.231 -1.471 0.982) 2.847 7.715 ( 3.806 0.604 0.051) 3.854 7.749 ( 3.079 -1.116 -0.586) 3.327 7.861 ( 1.688 0.526 0.148) 1.774 7.938 ( -2.993 -1.498 0.828) 3.448 8.926 ( 0.908 0.644 0.234) 1.137 9.039 ( -0.338 -0.237 -0.481) 0.634 9.387 ( -0.170 -1.983 0.473) 2.045 9.531 ( -0.786 -3.649 0.086) 3.734 10.141 ( -0.451 -1.623 -1.715) 2.404 10.306 ( 2.260 -0.953 5.702) 6.207 10.454 ( -1.964 -0.690 -5.892) 6.249 10.609 ( -0.210 -1.136 1.216) 1.678 11.994 ( -0.290 0.608 -0.269) 0.725 12.027 ( 0.424 -0.120 0.933) 1.032 13.792 ( 0.291 1.220 0.749) 1.461 13.807 ( 0.212 0.998 2.333) 2.546 13.843 ( -1.469 -0.196 -9.119) 9.239 13.976 ( -0.284 0.709 -0.790) 1.099 14.102 ( 0.012 2.594 2.100) 3.338 14.165 ( 1.121 -1.784 3.845) 4.385 14.547 ( -0.704 -0.155 0.983) 1.219 14.776 ( 0.320 -1.734 0.150) 1.770 15.368 ( 0.359 0.065 -0.662) 0.756 15.492 ( 0.944 -2.098 0.129) 2.304 15.811 ( -0.506 3.222 -2.507) 4.114 15.838 ( 0.088 0.570 1.369) 1.485 16.178 ( 0.467 2.395 0.650) 2.525 16.192 ( 0.024 2.756 1.018) 2.938 16.521 ( -1.246 1.606 -3.265) 3.846 16.626 ( 0.771 -2.711 2.591) 3.828 17.416 ( -0.108 -1.930 -0.548) 2.009 17.521 ( -0.181 -1.750 0.497) 1.828 20.288 ( -1.355 1.733 -2.983) 3.706 20.424 ( 0.754 -3.243 2.834) 4.372 21.661 ( -0.129 -0.574 -0.325) 0.672 21.704 ( 0.079 -2.479 0.316) 2.500 24.943 ( -1.546 1.079 -2.768) 3.349 25.076 ( 0.984 -4.077 2.980) 5.145 27.719 ( -1.037 -1.273 -1.413) 2.166 27.777 ( -0.104 -3.100 1.255) 3.346 28.705 ( 0.036 -0.497 0.057) 0.501 28.717 ( 0.103 -0.294 -0.057) 0.316 29.293 ( -0.062 -0.028 -0.016) 0.070 29.299 ( 0.027 -0.279 0.010) 0.281 32.020 ( 0.628 -1.220 0.022) 1.372 32.033 ( 0.622 -1.428 -0.041) 1.558 32.816 ( 3.082 4.909 0.121) 5.797 32.968 ( -1.925 4.624 -0.096) 5.009 33.089 ( 3.754 6.959 -0.025) 7.907 33.204 ( -1.163 6.430 0.031) 6.534 33.892 ( -0.369 -2.163 -1.223) 2.512 34.071 ( 0.191 -3.521 2.163) 4.137 34.476 ( -0.399 -4.186 -1.883) 4.608 34.664 ( 0.389 -7.850 0.898) 7.911 35.636 ( -0.638 7.060 0.623) 7.116 35.655 ( -0.479 7.522 -0.589) 7.560 ======================= Grid point 30 (23/102) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 4.471 -2.693 2.242) 5.681 1.379 ( 0.647 14.618 0.559) 14.643 1.710 ( 7.913 3.004 -5.735) 10.224 1.875 ( 5.196 -2.484 2.046) 6.112 2.032 ( 4.552 0.800 0.549) 4.654 2.190 ( -2.754 -6.445 2.674) 7.501 2.322 ( 14.886 3.662 -5.836) 16.403 2.460 ( -0.967 1.332 1.782) 2.426 2.537 ( 3.611 5.154 0.999) 6.372 2.712 ( -7.919 4.602 2.593) 9.519 2.854 ( 2.517 7.869 6.745) 10.666 2.942 ( 0.508 5.763 -4.073) 7.075 2.993 ( -2.914 -3.697 -0.273) 4.715 3.069 ( -3.249 4.228 4.079) 6.713 3.138 ( -6.838 3.174 -7.131) 10.377 3.218 ( -5.499 -4.287 -3.854) 7.967 3.261 ( 0.785 1.236 2.802) 3.161 3.441 ( 0.227 -6.717 -6.119) 9.089 3.517 ( 2.199 2.019 4.371) 5.293 3.620 ( -0.928 3.569 -0.419) 3.712 3.745 ( -5.333 9.205 0.215) 10.640 3.763 ( -5.213 1.426 0.721) 5.453 3.856 ( -1.378 -4.268 -0.824) 4.560 3.911 ( 4.730 2.136 1.562) 5.420 4.083 ( -0.897 1.928 2.116) 3.000 4.218 ( -4.517 0.437 -2.046) 4.978 4.557 ( 0.973 9.342 5.648) 10.960 4.597 ( -1.880 3.450 -3.429) 5.215 4.666 ( 1.684 -8.883 -1.485) 9.162 4.825 ( -3.341 5.839 -1.035) 6.807 5.245 ( 9.734 0.270 -1.556) 9.861 5.318 ( 4.940 -2.169 -0.384) 5.409 5.481 ( -3.180 1.303 2.891) 4.491 5.568 ( -1.245 -0.273 1.377) 1.876 5.866 ( 3.343 1.981 4.281) 5.782 5.871 ( 1.015 -4.183 0.049) 4.305 5.985 ( -6.307 0.976 -4.150) 7.613 6.148 ( 2.962 1.531 0.148) 3.338 6.206 ( 0.048 -3.680 -3.092) 4.807 6.391 ( -3.830 -6.211 -0.009) 7.296 6.446 ( 2.721 -1.267 -3.424) 4.553 6.581 ( -8.139 1.643 7.137) 10.949 6.690 ( 3.483 -3.119 1.466) 4.900 6.866 ( -2.437 -0.280 -1.404) 2.826 6.946 ( 3.426 -3.353 -1.282) 4.962 7.013 ( -1.588 -0.466 -1.824) 2.463 7.054 ( -1.781 3.260 -1.943) 4.192 7.132 ( 1.808 -0.920 -0.211) 2.039 7.244 ( -3.827 -1.254 0.691) 4.086 7.343 ( 3.198 2.889 0.115) 4.312 7.510 ( -2.306 3.455 1.732) 4.500 7.537 ( -0.785 1.564 0.961) 1.996 7.747 ( 0.790 0.651 -1.364) 1.705 7.838 ( 6.289 -1.359 -1.737) 6.664 7.878 ( 2.109 -1.115 1.732) 2.948 7.973 ( -2.813 -6.509 0.997) 7.161 8.919 ( 0.332 0.673 0.172) 0.770 9.047 ( -0.072 -0.878 -0.312) 0.934 9.426 ( 0.266 -2.366 0.266) 2.396 9.589 ( 0.274 -3.290 -0.190) 3.307 10.163 ( -0.201 -1.442 -0.990) 1.761 10.352 ( 3.306 -0.599 6.190) 7.043 10.436 ( -2.834 -0.559 -6.229) 6.866 10.628 ( 0.153 -0.946 0.948) 1.348 11.981 ( -0.187 0.564 -0.267) 0.652 12.035 ( 0.223 -0.256 0.526) 0.626 13.778 ( 0.329 0.664 0.709) 1.025 13.794 ( -0.515 0.358 1.056) 1.228 13.837 ( -0.246 -0.775 -5.384) 5.445 13.963 ( -0.298 0.478 -0.455) 0.724 14.061 ( -0.280 2.033 0.767) 2.191 14.230 ( 0.677 -3.988 2.433) 4.721 14.546 ( -0.460 -0.281 0.724) 0.903 14.813 ( 0.621 -2.153 0.616) 2.324 15.362 ( 0.074 0.682 -0.896) 1.129 15.531 ( 1.049 -1.138 0.062) 1.549 15.748 ( -0.645 2.975 -1.361) 3.334 15.825 ( -0.301 1.042 0.862) 1.385 16.137 ( -0.511 2.477 -0.125) 2.533 16.143 ( -0.054 2.907 0.922) 3.050 16.492 ( -0.578 0.234 -1.661) 1.774 16.699 ( 0.598 -4.601 1.524) 4.884 17.447 ( 0.187 -1.627 -0.111) 1.641 17.552 ( 0.265 -1.798 0.021) 1.818 20.252 ( -0.587 1.076 -1.832) 2.204 20.504 ( 0.700 -4.920 1.679) 5.246 21.653 ( -0.063 1.210 -0.502) 1.311 21.743 ( 0.368 -1.768 0.471) 1.866 24.944 ( -0.363 -2.415 -1.627) 2.935 25.215 ( 1.428 -11.144 1.835) 11.384 27.759 ( 0.011 -4.086 -0.834) 4.170 27.859 ( 0.551 -5.986 0.669) 6.048 28.719 ( 0.193 -1.062 -0.078) 1.082 28.730 ( 0.159 -1.127 0.078) 1.141 29.293 ( -0.030 -0.004 -0.030) 0.043 29.306 ( 0.074 -0.418 0.025) 0.425 32.029 ( 0.394 0.720 0.083) 0.825 32.046 ( 0.516 0.610 -0.101) 0.806 32.759 ( 1.773 4.460 0.148) 4.801 32.867 ( -2.749 4.499 -0.111) 5.274 33.003 ( 2.435 6.415 -0.089) 6.862 33.070 ( -3.096 6.474 0.062) 7.176 33.872 ( -0.398 3.918 -0.702) 4.000 34.084 ( 0.388 2.522 1.526) 2.973 34.508 ( -0.176 0.400 -1.411) 1.477 34.802 ( 2.239 -6.632 0.486) 7.017 35.505 ( -2.190 6.782 0.557) 7.149 35.523 ( -1.616 6.586 -0.439) 6.795 ======================= Grid point 31 (24/102) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 21.409 0.000) 21.409 1.149 ( 0.000 1.646 0.000) 1.646 1.680 ( 0.000 4.287 0.000) 4.287 1.824 ( 0.000 18.215 0.000) 18.215 1.963 ( -0.000 -0.544 -0.000) 0.544 2.155 ( 0.000 14.080 0.000) 14.080 2.309 ( 0.000 8.606 0.000) 8.606 2.442 ( 0.000 5.920 0.000) 5.920 2.501 ( 0.000 6.118 0.000) 6.118 2.521 ( 0.000 4.574 0.000) 4.574 2.664 ( 0.000 12.107 0.000) 12.107 2.931 ( 0.000 0.412 0.000) 0.412 2.974 ( -0.000 -5.153 -0.000) 5.153 3.102 ( -0.000 -1.009 -0.000) 1.009 3.121 ( -0.000 -3.923 -0.000) 3.923 3.222 ( 0.000 1.216 0.000) 1.216 3.279 ( -0.000 -1.790 -0.000) 1.790 3.519 ( 0.000 1.610 0.000) 1.610 3.522 ( 0.000 1.411 0.000) 1.411 3.557 ( 0.000 0.110 0.000) 0.110 3.610 ( -0.000 -5.270 -0.000) 5.270 3.822 ( -0.000 -7.507 -0.000) 7.507 3.939 ( -0.000 -4.460 -0.000) 4.460 3.982 ( -0.000 -6.510 -0.000) 6.510 4.030 ( 0.000 0.519 0.000) 0.519 4.069 ( 0.000 8.555 0.000) 8.555 4.432 ( 0.000 2.163 0.000) 2.163 4.565 ( 0.000 2.747 0.000) 2.747 4.722 ( 0.000 2.042 0.000) 2.042 4.783 ( 0.000 1.063 0.000) 1.063 5.281 ( 0.000 2.487 0.000) 2.487 5.334 ( 0.000 3.216 0.000) 3.216 5.422 ( -0.000 -1.056 -0.000) 1.056 5.608 ( -0.000 -3.768 -0.000) 3.768 5.748 ( 0.000 10.460 0.000) 10.460 5.938 ( -0.000 -4.908 -0.000) 4.908 6.008 ( -0.000 -1.300 -0.000) 1.300 6.143 ( -0.000 -3.653 -0.000) 3.653 6.282 ( -0.000 -3.899 -0.000) 3.899 6.477 ( -0.000 -2.037 -0.000) 2.037 6.479 ( -0.000 -4.458 -0.000) 4.458 6.580 ( -0.000 -4.820 -0.000) 4.820 6.749 ( -0.000 -0.810 -0.000) 0.810 6.872 ( -0.000 -1.806 -0.000) 1.806 6.929 ( 0.000 6.262 0.000) 6.262 7.010 ( 0.000 3.242 0.000) 3.242 7.018 ( -0.000 -1.186 -0.000) 1.186 7.125 ( 0.000 4.713 0.000) 4.713 7.259 ( -0.000 -4.242 -0.000) 4.242 7.312 ( 0.000 2.271 0.000) 2.271 7.474 ( -0.000 -2.362 -0.000) 2.362 7.491 ( 0.000 3.960 0.000) 3.960 7.718 ( 0.000 2.020 0.000) 2.020 7.852 ( 0.000 1.594 0.000) 1.594 7.909 ( -0.000 -0.590 -0.000) 0.590 8.109 ( -0.000 -8.697 -0.000) 8.697 8.913 ( 0.000 0.166 0.000) 0.166 9.064 ( -0.000 -1.075 -0.000) 1.075 9.464 ( -0.000 -1.624 -0.000) 1.624 9.642 ( -0.000 -2.725 -0.000) 2.725 10.180 ( -0.000 -0.671 -0.000) 0.671 10.399 ( -0.000 -0.487 -0.000) 0.487 10.404 ( 0.000 0.299 0.000) 0.299 10.642 ( -0.000 -0.447 -0.000) 0.447 11.972 ( 0.000 0.296 0.000) 0.296 12.039 ( -0.000 -0.130 -0.000) 0.130 13.778 ( -0.000 -0.095 -0.000) 0.095 13.788 ( -0.000 -0.009 -0.000) 0.009 13.851 ( -0.000 -1.433 -0.000) 1.433 13.955 ( 0.000 0.084 0.000) 0.084 14.033 ( 0.000 1.075 0.000) 1.075 14.307 ( -0.000 -4.274 -0.000) 4.274 14.553 ( -0.000 -0.860 -0.000) 0.860 14.864 ( -0.000 -3.438 -0.000) 3.438 15.349 ( 0.000 0.549 0.000) 0.549 15.542 ( 0.000 0.719 0.000) 0.719 15.703 ( 0.000 1.735 0.000) 1.735 15.802 ( 0.000 1.498 0.000) 1.498 16.089 ( 0.000 2.460 0.000) 2.460 16.099 ( 0.000 2.430 0.000) 2.430 16.506 ( -0.000 -2.558 -0.000) 2.558 16.791 ( -0.000 -5.673 -0.000) 5.673 17.470 ( -0.000 -0.833 -0.000) 0.833 17.586 ( -0.000 -1.874 -0.000) 1.874 20.235 ( 0.000 0.488 0.000) 0.488 20.601 ( -0.000 -5.676 -0.000) 5.676 21.621 ( 0.000 2.379 0.000) 2.379 21.771 ( -0.000 -1.149 -0.000) 1.149 25.010 ( -0.000 -5.556 -0.000) 5.556 25.505 ( -0.000 -22.579 -0.000) 22.579 27.851 ( -0.000 -6.604 -0.000) 6.604 27.983 ( -0.000 -7.862 -0.000) 7.862 28.745 ( -0.000 -1.894 -0.000) 1.894 28.763 ( -0.000 -2.779 -0.000) 2.779 29.293 ( -0.000 -0.010 -0.000) 0.010 29.314 ( -0.000 -0.461 -0.000) 0.461 32.001 ( 0.000 2.866 0.000) 2.866 32.021 ( 0.000 2.694 0.000) 2.694 32.700 ( 0.000 3.482 0.000) 3.482 32.776 ( 0.000 4.115 0.000) 4.115 32.917 ( 0.000 5.421 0.000) 5.421 32.949 ( 0.000 5.142 0.000) 5.142 33.757 ( 0.000 9.116 0.000) 9.116 33.995 ( 0.000 8.298 0.000) 8.298 34.445 ( 0.000 7.048 0.000) 7.048 34.919 ( -0.000 -5.033 -0.000) 5.033 35.378 ( 0.000 6.229 0.000) 6.229 35.411 ( 0.000 5.255 0.000) 5.255 ======================= Grid point 36 (25/102) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 6.506 0.000 -10.553) 12.398 1.235 ( 3.549 0.000 -7.500) 8.297 1.587 ( 17.573 0.000 0.762) 17.589 1.648 ( 12.847 0.000 2.932) 13.177 1.896 ( -2.527 -0.000 -14.247) 14.469 2.045 ( 0.362 0.000 15.380) 15.384 2.150 ( 14.861 0.000 17.272) 22.785 2.224 ( 6.850 0.000 -4.321) 8.099 2.372 ( 4.205 0.000 8.520) 9.502 2.470 ( 6.293 0.000 -15.807) 17.014 2.669 ( 20.707 0.000 7.661) 22.079 2.771 ( 4.204 0.000 2.419) 4.851 2.997 ( 18.755 0.000 -2.846) 18.970 3.038 ( 14.340 0.000 2.665) 14.586 3.177 ( 2.874 0.000 -6.791) 7.375 3.308 ( -7.911 -0.000 3.595) 8.690 3.382 ( 19.595 0.000 -0.382) 19.598 3.471 ( -2.635 -0.000 0.300) 2.652 3.557 ( 6.113 0.000 -4.508) 7.595 3.640 ( -1.671 -0.000 6.811) 7.013 3.735 ( -3.450 -0.000 5.131) 6.183 3.770 ( -9.309 -0.000 -10.940) 14.365 4.085 ( 2.484 0.000 -3.150) 4.012 4.159 ( -7.421 -0.000 3.130) 8.054 4.556 ( 0.792 0.000 -8.927) 8.962 4.603 ( -2.406 -0.000 0.644) 2.491 4.624 ( -8.428 -0.000 2.192) 8.708 4.887 ( -4.103 -0.000 -2.741) 4.934 4.939 ( -2.711 -0.000 1.446) 3.073 5.091 ( 1.620 0.000 1.785) 2.411 5.208 ( 4.387 0.000 -0.409) 4.406 5.484 ( -6.420 -0.000 -0.259) 6.425 5.493 ( 1.242 0.000 2.680) 2.954 5.567 ( -0.015 -0.000 -3.188) 3.188 5.574 ( -2.384 -0.000 2.774) 3.658 5.719 ( -1.213 -0.000 2.593) 2.862 5.764 ( -1.575 -0.000 -6.564) 6.751 5.802 ( -4.459 -0.000 6.626) 7.987 5.972 ( 4.391 0.000 9.844) 10.779 6.137 ( -10.890 -0.000 -2.892) 11.267 6.350 ( 0.732 0.000 -14.884) 14.902 6.528 ( 2.716 0.000 9.159) 9.553 6.547 ( -0.230 -0.000 1.424) 1.442 6.670 ( -3.761 -0.000 -4.214) 5.648 6.871 ( -1.285 -0.000 4.438) 4.620 6.882 ( -1.928 -0.000 -0.032) 1.929 6.953 ( -5.726 -0.000 1.868) 6.023 7.058 ( 4.858 0.000 -3.702) 6.107 7.309 ( 3.377 0.000 0.496) 3.413 7.333 ( 1.981 0.000 0.457) 2.034 7.556 ( 6.262 0.000 2.939) 6.918 7.679 ( -1.819 -0.000 -9.537) 9.709 7.805 ( 4.011 0.000 1.187) 4.183 7.808 ( 5.472 0.000 -0.520) 5.496 8.164 ( -7.241 -0.000 4.085) 8.314 8.217 ( -11.231 -0.000 -4.046) 11.938 8.946 ( -0.796 -0.000 -7.455) 7.498 9.032 ( 1.256 0.000 11.760) 11.827 9.373 ( -2.323 -0.000 4.301) 4.889 9.405 ( -6.669 -0.000 -3.972) 7.762 10.090 ( -1.308 -0.000 0.017) 1.308 10.123 ( -1.004 -0.000 1.538) 1.837 10.532 ( -0.523 -0.000 -0.701) 0.875 10.552 ( -1.542 -0.000 -4.936) 5.171 11.985 ( 0.451 0.000 1.373) 1.446 12.048 ( 0.668 0.000 0.853) 1.083 13.762 ( 2.033 0.000 -1.102) 2.313 13.843 ( 1.888 0.000 3.859) 4.296 14.010 ( -1.407 -0.000 -4.362) 4.583 14.046 ( 1.223 0.000 0.167) 1.235 14.104 ( 0.711 0.000 18.408) 18.422 14.435 ( -0.277 -0.000 0.097) 0.293 14.589 ( -1.075 -0.000 -3.314) 3.484 14.684 ( -7.332 -0.000 -10.805) 13.058 15.370 ( -0.034 -0.000 -0.346) 0.347 15.494 ( 1.042 0.000 0.180) 1.058 15.832 ( 3.299 0.000 0.455) 3.330 15.867 ( 4.304 0.000 -2.739) 5.102 16.174 ( 5.394 0.000 11.877) 13.044 16.366 ( -0.858 -0.000 -3.051) 3.169 16.726 ( -6.253 -0.000 -1.340) 6.395 16.806 ( -5.488 -0.000 -7.319) 9.148 17.349 ( -2.305 -0.000 -0.312) 2.326 17.426 ( -4.257 -0.000 1.542) 4.527 20.310 ( 0.105 0.000 10.758) 10.758 20.575 ( -6.499 -0.000 -8.192) 10.457 21.394 ( -0.177 -0.000 3.763) 3.767 21.459 ( -0.653 -0.000 -3.639) 3.697 25.263 ( -8.962 -0.000 11.910) 14.905 25.794 ( -27.490 -0.000 -12.194) 30.073 27.968 ( -9.412 -0.000 4.472) 10.420 28.017 ( -8.179 -0.000 -3.655) 8.958 28.748 ( -4.090 -0.000 2.132) 4.612 28.776 ( -3.566 -0.000 -2.065) 4.121 29.289 ( -1.019 -0.000 1.665) 1.953 29.293 ( -0.269 -0.000 -1.622) 1.644 31.733 ( 2.783 0.000 0.245) 2.794 31.736 ( 3.079 0.000 -0.273) 3.091 33.081 ( 5.361 0.000 -0.269) 5.368 33.120 ( 6.046 0.000 0.603) 6.076 33.190 ( 1.875 0.000 -0.202) 1.886 33.271 ( 1.031 0.000 -0.469) 1.133 33.365 ( 8.612 0.000 1.488) 8.739 33.391 ( 9.547 0.000 -1.065) 9.606 33.912 ( 12.844 0.000 -3.615) 13.343 33.996 ( 3.326 0.000 3.730) 4.998 35.992 ( 9.380 0.000 7.602) 12.074 36.220 ( 2.698 0.000 -8.689) 9.098 ======================= Grid point 37 (26/102) ======================= q-point: ( 0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.630 8.456 -12.196) 14.854 1.353 ( 3.712 -6.937 0.844) 7.912 1.752 ( 14.872 -1.533 7.033) 16.522 1.842 ( 0.588 -6.986 -12.489) 14.322 1.990 ( 12.566 -8.138 -0.394) 14.976 2.065 ( 3.282 -3.679 4.209) 6.483 2.244 ( -2.973 -7.703 -2.495) 8.626 2.395 ( 13.162 -3.410 11.740) 17.964 2.457 ( 5.849 -1.869 -0.311) 6.148 2.520 ( 6.821 -1.057 -5.540) 8.851 2.785 ( 2.503 -2.231 6.084) 6.946 2.867 ( 3.948 -3.479 0.233) 5.267 3.039 ( 6.128 4.766 -1.103) 7.841 3.169 ( 12.297 3.710 2.923) 13.173 3.212 ( 2.282 2.033 -0.452) 3.089 3.259 ( -5.899 -1.350 4.156) 7.341 3.443 ( 3.289 0.972 1.368) 3.693 3.505 ( 1.946 4.236 0.089) 4.663 3.532 ( 6.302 2.527 -1.355) 6.924 3.645 ( 8.361 4.382 1.057) 9.498 3.711 ( -3.827 -2.252 -6.301) 7.709 3.761 ( -1.664 -2.718 0.368) 3.208 4.020 ( -9.327 4.827 -5.073) 11.663 4.114 ( -3.585 2.379 2.561) 5.007 4.438 ( 0.186 7.190 -1.821) 7.420 4.517 ( 3.020 4.277 2.384) 5.753 4.653 ( 4.984 -0.614 -2.674) 5.689 4.770 ( 0.202 5.608 -2.370) 6.091 4.919 ( 1.037 1.359 -0.151) 1.716 5.050 ( 3.894 6.201 0.955) 7.384 5.179 ( 0.712 2.356 -0.819) 2.594 5.461 ( -0.769 2.129 -3.010) 3.766 5.526 ( 7.082 -0.578 2.457) 7.519 5.617 ( -6.759 -2.320 -0.232) 7.150 5.664 ( -1.860 -6.849 -0.513) 7.116 5.694 ( -1.393 1.252 0.312) 1.899 5.746 ( -2.834 -7.008 -1.487) 7.704 5.836 ( -3.081 -5.294 6.736) 9.104 6.009 ( 3.788 2.535 5.384) 7.054 6.054 ( -11.584 -2.751 -2.127) 12.095 6.382 ( -2.232 -5.049 -7.574) 9.372 6.524 ( 1.776 1.333 0.410) 2.258 6.574 ( -0.646 -2.806 -0.336) 2.898 6.655 ( -1.344 -2.267 0.924) 2.793 6.839 ( -3.482 1.642 1.649) 4.188 6.915 ( 1.546 -2.661 2.326) 3.857 6.937 ( -2.083 -6.262 2.947) 7.228 7.147 ( -0.710 -3.811 -2.717) 4.734 7.266 ( 0.671 3.977 -0.677) 4.090 7.379 ( 0.792 -0.176 0.300) 0.865 7.591 ( 3.323 1.390 2.176) 4.208 7.642 ( -2.585 0.673 -5.398) 6.022 7.819 ( 4.439 1.823 0.336) 4.810 7.851 ( 2.765 0.762 -1.171) 3.098 8.025 ( -5.037 6.048 1.677) 8.048 8.134 ( -8.657 0.416 -0.661) 8.692 8.918 ( -0.720 0.806 -4.824) 4.943 9.057 ( 0.891 -0.306 7.499) 7.558 9.340 ( -4.674 -0.347 -2.481) 5.303 9.380 ( -3.346 -1.824 2.560) 4.591 10.084 ( -0.729 -0.407 0.078) 0.839 10.131 ( -0.893 -1.894 1.906) 2.831 10.517 ( -1.583 0.654 -3.273) 3.694 10.539 ( -1.105 -0.807 -1.812) 2.270 11.991 ( 0.378 -0.060 1.290) 1.345 12.053 ( 0.726 0.341 0.748) 1.097 13.784 ( 2.361 -0.252 -1.619) 2.874 13.860 ( 2.145 0.855 2.801) 3.630 13.982 ( -2.170 0.602 -5.087) 5.564 14.051 ( 0.742 0.507 -0.866) 1.249 14.124 ( 0.679 0.868 15.386) 15.425 14.411 ( -0.101 2.557 -1.591) 3.013 14.558 ( -3.468 0.307 -6.811) 7.649 14.647 ( -2.466 -2.015 -1.732) 3.625 15.363 ( 0.066 0.629 -0.225) 0.671 15.483 ( 1.003 2.084 0.268) 2.328 15.855 ( 2.691 0.628 0.329) 2.783 15.903 ( 3.640 0.061 -2.725) 4.547 16.231 ( 5.305 0.836 10.696) 11.968 16.338 ( -0.216 1.789 -2.327) 2.943 16.648 ( -4.362 2.305 -0.234) 4.939 16.746 ( -5.324 0.335 -7.001) 8.802 17.334 ( -1.974 -0.599 -0.891) 2.247 17.407 ( -3.065 -1.547 1.639) 3.805 20.323 ( 0.246 -0.021 9.092) 9.095 20.499 ( -5.479 1.008 -7.935) 9.695 21.428 ( -0.125 -3.269 3.658) 4.907 21.476 ( -0.778 -2.940 -3.441) 4.592 25.176 ( -6.594 2.342 7.569) 10.308 25.506 ( -17.955 6.279 -8.050) 20.655 27.875 ( -7.441 1.705 3.675) 8.473 27.923 ( -7.555 1.728 -3.167) 8.372 28.717 ( -2.341 0.255 1.468) 2.775 28.744 ( -2.041 0.326 -1.480) 2.542 29.284 ( -0.801 -0.241 1.316) 1.560 29.290 ( -0.353 -0.207 -1.257) 1.322 31.782 ( 2.144 -2.674 0.227) 3.435 31.787 ( 2.371 -2.602 -0.256) 3.529 33.082 ( 5.062 4.893 -0.100) 7.041 33.182 ( 3.528 -0.938 0.678) 3.713 33.245 ( 2.650 -4.972 -0.667) 5.673 33.324 ( 2.669 -4.153 -0.111) 4.938 33.411 ( 9.420 3.373 0.538) 10.020 33.501 ( 7.621 -1.986 -0.429) 7.887 34.034 ( 5.107 -4.956 -0.563) 7.138 34.098 ( 1.584 -6.281 0.678) 6.513 36.041 ( 6.842 3.926 5.357) 9.535 36.182 ( 3.128 5.873 -5.637) 8.721 ======================= Grid point 38 (27/102) ======================= q-point: ( 0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -2.365 5.136 -9.899) 11.400 1.503 ( 2.725 -6.099 8.094) 10.494 1.799 ( 3.420 3.617 -9.107) 10.379 1.973 ( 10.266 2.602 -0.852) 10.625 2.070 ( 10.800 -0.274 3.522) 11.363 2.373 ( 3.642 -13.096 0.220) 13.594 2.446 ( 2.606 2.011 -2.989) 4.446 2.479 ( 2.870 -18.428 -1.309) 18.696 2.575 ( 5.576 1.967 5.473) 8.057 2.620 ( 5.748 -9.466 -3.322) 11.562 2.859 ( -4.997 3.998 -1.086) 6.491 2.903 ( -1.551 -5.323 3.815) 6.731 3.033 ( 5.825 2.383 2.380) 6.729 3.078 ( 5.061 10.182 -0.557) 11.384 3.151 ( -7.797 -1.724 0.043) 7.986 3.246 ( 2.251 2.119 3.676) 4.803 3.424 ( 2.502 4.437 1.296) 5.256 3.480 ( -1.596 2.365 2.700) 3.929 3.527 ( -3.375 0.690 -3.741) 5.085 3.617 ( 6.097 2.507 -2.103) 6.920 3.739 ( -1.968 -3.427 -1.403) 4.194 3.749 ( -0.782 4.162 4.001) 5.826 3.880 ( 0.901 4.698 0.727) 4.838 3.973 ( -0.416 4.087 -4.961) 6.441 4.334 ( -5.516 5.900 6.175) 10.167 4.551 ( 8.427 1.770 -4.288) 9.620 4.662 ( 1.918 1.385 -1.196) 2.651 4.782 ( 4.544 0.996 -1.092) 4.778 4.907 ( 6.176 2.051 -2.487) 6.967 5.044 ( 8.554 1.638 2.096) 8.958 5.161 ( -0.862 -0.126 1.545) 1.774 5.364 ( 2.004 8.047 -4.164) 9.279 5.550 ( -1.631 1.089 2.337) 3.051 5.603 ( 0.913 4.714 -3.415) 5.892 5.624 ( 1.286 0.610 1.379) 1.982 5.739 ( -0.566 -2.917 3.758) 4.791 5.821 ( -7.108 -5.138 1.310) 8.868 5.920 ( -0.512 0.437 0.570) 0.882 5.983 ( -6.441 -10.053 -0.574) 11.953 6.086 ( -4.505 -8.295 -2.837) 9.857 6.425 ( -1.964 -2.652 -2.753) 4.298 6.560 ( 1.048 -3.731 -3.166) 5.004 6.634 ( 3.067 -2.824 3.956) 5.747 6.703 ( -1.864 -4.520 1.326) 5.066 6.808 ( -2.359 -0.651 0.247) 2.460 6.974 ( -2.172 -4.013 -0.047) 4.563 7.057 ( 0.779 -6.409 4.996) 8.164 7.163 ( 1.006 0.663 0.791) 1.441 7.204 ( -4.286 0.903 -3.889) 5.857 7.347 ( -0.681 3.200 -0.460) 3.304 7.580 ( 2.274 2.940 0.164) 3.721 7.599 ( -2.761 0.893 -1.044) 3.084 7.818 ( 2.154 2.328 0.667) 3.241 7.833 ( 1.320 3.341 -0.353) 3.610 7.917 ( -0.839 3.161 0.434) 3.299 8.044 ( -5.891 1.689 -0.112) 6.129 8.907 ( 0.386 -0.312 -2.565) 2.613 9.074 ( 0.977 0.469 4.226) 4.363 9.314 ( -4.138 -1.966 -2.711) 5.323 9.384 ( -2.864 -1.763 1.902) 3.863 10.088 ( -0.429 -0.589 -0.184) 0.752 10.172 ( -0.400 -3.132 2.593) 4.085 10.484 ( -1.495 0.929 -3.704) 4.101 10.546 ( -1.152 -1.346 -0.522) 1.847 11.996 ( 0.248 -0.111 1.104) 1.137 12.051 ( 0.638 0.678 0.530) 1.071 13.808 ( 2.286 -0.137 -2.117) 3.119 13.861 ( 1.938 1.541 1.611) 2.954 13.936 ( -2.970 1.207 -5.209) 6.116 14.040 ( 0.300 1.283 -0.535) 1.422 14.127 ( 0.647 1.158 10.884) 10.965 14.344 ( 0.134 4.699 -2.923) 5.535 14.529 ( -2.312 -0.755 -1.596) 2.909 14.672 ( -1.199 -2.537 -0.458) 2.844 15.356 ( 0.124 0.192 -0.074) 0.240 15.455 ( 1.090 2.129 0.363) 2.419 15.863 ( 1.888 0.911 0.385) 2.131 15.920 ( 2.317 0.913 -2.633) 3.624 16.266 ( 4.201 1.596 7.062) 8.371 16.305 ( 0.451 1.983 -1.368) 2.451 16.583 ( -2.341 1.502 1.257) 3.052 16.679 ( -4.000 1.418 -5.603) 7.028 17.332 ( -1.419 -1.268 -1.223) 2.262 17.420 ( -2.017 -2.380 1.549) 3.483 20.336 ( 0.300 -0.133 6.763) 6.770 20.425 ( -3.961 1.449 -6.405) 7.669 21.499 ( -0.235 -4.570 2.828) 5.379 21.527 ( -0.777 -4.106 -2.697) 4.974 25.092 ( -3.671 2.415 4.518) 6.302 25.252 ( -9.543 7.233 -4.741) 12.879 27.791 ( -4.712 1.703 2.550) 5.621 27.820 ( -5.590 2.453 -2.351) 6.541 28.700 ( -1.063 0.007 0.808) 1.335 28.724 ( -0.911 0.219 -0.838) 1.257 29.285 ( -0.554 -0.391 1.057) 1.256 29.290 ( -0.244 -0.231 -1.014) 1.068 31.855 ( 1.254 -3.763 0.015) 3.966 31.859 ( 1.440 -3.689 -0.038) 3.961 33.043 ( 5.407 5.223 -0.028) 7.518 33.194 ( 1.703 2.462 0.267) 3.005 33.356 ( 4.862 -0.735 -0.308) 4.927 33.407 ( 6.911 0.959 0.078) 6.978 33.487 ( 3.452 -6.871 -0.290) 7.695 33.607 ( 2.811 -5.947 0.262) 6.583 34.166 ( -1.932 -8.018 0.774) 8.284 34.213 ( 0.940 -6.566 -0.771) 6.678 36.006 ( 4.508 6.819 3.054) 8.726 36.083 ( 3.123 8.403 -3.081) 9.479 ======================= Grid point 39 (28/102) ======================= q-point: ( 0.55 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.307 -2.304 -3.662) 4.520 1.610 ( 1.511 -2.771 9.311) 9.832 1.727 ( 0.597 4.510 -14.223) 14.933 1.954 ( 12.201 8.649 1.897) 15.075 2.231 ( 9.945 -4.145 4.097) 11.527 2.313 ( -1.816 11.217 -1.633) 11.479 2.448 ( -2.947 10.607 -0.862) 11.042 2.597 ( 2.951 6.248 1.270) 7.025 2.632 ( 6.969 3.587 1.143) 7.921 2.795 ( 1.650 -9.648 -2.925) 10.216 2.862 ( -1.845 -6.283 3.111) 7.250 2.881 ( -2.289 -6.441 -0.623) 6.864 3.061 ( 0.923 0.200 2.493) 2.666 3.090 ( 0.195 -3.642 -3.582) 5.111 3.161 ( 0.751 0.016 0.330) 0.821 3.282 ( 0.937 -3.284 0.813) 3.510 3.344 ( -3.312 2.567 0.485) 4.218 3.434 ( 3.705 -4.417 0.338) 5.775 3.513 ( -2.613 2.765 -5.167) 6.416 3.605 ( -8.748 0.960 4.184) 9.745 3.649 ( 6.243 2.155 2.928) 7.224 3.835 ( 0.210 -6.346 -0.720) 6.390 3.929 ( 9.241 -1.351 1.556) 9.468 3.944 ( -0.734 -2.385 -6.263) 6.741 4.162 ( -7.621 6.592 7.013) 12.277 4.503 ( 1.459 8.555 -2.699) 9.088 4.617 ( -3.663 4.276 0.280) 5.637 4.715 ( 1.838 11.135 -1.320) 11.362 4.949 ( 6.058 0.846 -3.369) 6.983 5.096 ( 3.973 1.114 2.282) 4.715 5.174 ( -0.650 -1.700 3.980) 4.377 5.269 ( 6.906 6.402 -2.614) 9.773 5.495 ( -0.524 2.739 0.100) 2.790 5.585 ( -0.008 -1.701 0.396) 1.746 5.618 ( -0.784 -0.245 -0.517) 0.971 5.747 ( -0.929 0.154 2.912) 3.061 5.841 ( -4.129 -4.996 -3.128) 7.197 5.972 ( 3.750 -4.829 -4.527) 7.608 6.103 ( -6.870 -8.459 6.429) 12.652 6.173 ( -3.675 -5.746 -3.711) 7.765 6.458 ( 0.677 -3.907 -2.344) 4.607 6.603 ( 0.724 1.150 1.332) 1.903 6.713 ( 3.545 -2.099 4.981) 6.464 6.763 ( -0.284 -4.206 -4.629) 6.260 6.848 ( -0.622 -4.710 3.896) 6.144 7.004 ( -2.178 -1.712 -1.576) 3.188 7.069 ( -5.143 1.552 -4.429) 6.962 7.158 ( 0.768 2.058 3.279) 3.947 7.214 ( -3.801 -4.809 -0.981) 6.208 7.301 ( 1.982 0.060 1.559) 2.522 7.546 ( -0.299 1.920 -0.474) 2.000 7.570 ( 1.152 1.369 0.694) 1.919 7.779 ( -0.166 2.885 -0.856) 3.014 7.791 ( 1.908 2.553 1.436) 3.496 7.886 ( 0.758 1.249 -0.216) 1.476 7.968 ( -4.236 1.842 -0.002) 4.620 8.925 ( 1.280 -0.889 -1.005) 1.854 9.065 ( 0.375 1.653 1.562) 2.305 9.322 ( -2.247 -2.541 -0.650) 3.454 9.399 ( -2.369 -3.058 0.294) 3.879 10.096 ( -0.288 -0.868 -0.560) 1.072 10.230 ( 0.196 -3.315 3.020) 4.488 10.453 ( -1.088 0.652 -3.484) 3.708 10.561 ( -0.884 -1.557 0.017) 1.791 12.001 ( 0.082 -0.089 0.722) 0.732 12.043 ( 0.439 0.893 0.383) 1.066 13.823 ( 1.538 0.286 -1.686) 2.301 13.849 ( 1.420 1.724 -0.413) 2.271 13.877 ( -2.784 1.718 -3.292) 4.641 14.015 ( -0.051 1.561 -0.305) 1.592 14.127 ( 0.591 0.558 6.738) 6.787 14.260 ( 0.363 4.991 -1.302) 5.171 14.529 ( -1.139 -1.026 0.396) 1.583 14.705 ( -0.638 -2.419 -0.398) 2.533 15.359 ( 0.187 -0.407 -0.080) 0.455 15.442 ( 0.898 0.312 0.277) 0.991 15.862 ( 1.032 0.900 0.544) 1.474 15.907 ( 0.931 2.138 -2.228) 3.225 16.267 ( 2.078 2.665 2.789) 4.382 16.275 ( 0.724 1.982 0.130) 2.114 16.555 ( -1.114 0.379 0.589) 1.315 16.619 ( -1.839 1.537 -2.430) 3.413 17.347 ( -0.778 -1.867 -0.974) 2.245 17.449 ( -1.112 -2.511 1.060) 2.944 20.344 ( -0.502 0.625 1.937) 2.096 20.369 ( -1.570 0.401 -1.901) 2.498 21.577 ( -0.125 -4.221 1.607) 4.518 21.588 ( -0.537 -4.051 -1.565) 4.376 25.039 ( -1.723 1.616 2.198) 3.227 25.076 ( -3.798 5.269 -2.200) 6.857 27.736 ( -2.713 1.544 -0.587) 3.176 27.742 ( -2.700 0.845 0.601) 2.893 28.696 ( -0.376 -0.163 0.335) 0.530 28.716 ( -0.291 0.058 -0.352) 0.460 29.288 ( -0.299 -0.340 0.683) 0.819 29.291 ( -0.093 -0.209 -0.667) 0.706 31.928 ( 0.688 -3.687 -0.159) 3.754 31.934 ( 0.756 -3.797 0.144) 3.874 33.001 ( 4.717 5.503 0.038) 7.248 33.139 ( 0.059 4.720 0.018) 4.721 33.337 ( 5.380 6.641 0.084) 8.547 33.417 ( 3.828 5.090 -0.080) 6.369 33.656 ( 0.603 -9.923 -0.919) 9.984 33.780 ( 0.700 -11.358 1.097) 11.433 34.267 ( -2.663 -7.193 -0.421) 7.682 34.351 ( -0.287 -9.043 0.171) 9.049 35.909 ( 2.284 8.387 1.415) 8.807 35.953 ( 1.997 9.337 -1.402) 9.651 ======================= Grid point 40 (29/102) ======================= q-point: ( 0.64 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.879 -8.312 0.851) 8.564 1.644 ( 0.573 1.416 -3.069) 3.428 1.689 ( 2.152 -2.051 -1.658) 3.404 1.922 ( 11.655 9.383 0.421) 14.969 2.071 ( -3.991 11.168 3.087) 12.255 2.204 ( -3.244 7.610 -0.592) 8.293 2.385 ( 7.220 -3.006 0.599) 7.844 2.514 ( 4.597 6.912 -1.244) 8.394 2.654 ( 2.343 2.113 2.075) 3.776 2.758 ( -9.587 1.209 -1.453) 9.772 2.958 ( 0.518 -3.346 5.063) 6.091 3.033 ( 1.497 -4.742 0.963) 5.065 3.067 ( 4.014 -0.973 3.516) 5.424 3.129 ( 2.412 2.341 -7.476) 8.196 3.186 ( 3.069 -1.660 -1.394) 3.757 3.277 ( -5.932 -0.558 -2.636) 6.515 3.327 ( 2.775 1.830 0.843) 3.429 3.364 ( -4.310 6.873 -0.660) 8.139 3.518 ( -4.058 -0.649 1.603) 4.411 3.658 ( 2.078 0.757 0.716) 2.324 3.683 ( 3.772 -6.261 -1.553) 7.472 3.866 ( -3.450 0.389 2.360) 4.198 3.966 ( -4.744 -2.146 -1.953) 5.561 4.080 ( 0.389 -14.148 1.111) 14.197 4.113 ( 4.638 2.867 1.489) 5.652 4.341 ( 3.165 8.898 0.306) 9.449 4.423 ( -2.520 16.536 -2.422) 16.901 4.507 ( -7.063 4.210 1.389) 8.339 4.955 ( 1.247 2.968 -2.856) 4.303 5.073 ( 1.819 5.667 1.109) 6.055 5.198 ( -1.677 -2.238 1.964) 3.418 5.258 ( 6.833 2.863 0.089) 7.409 5.473 ( -0.165 -0.081 -0.929) 0.947 5.608 ( -0.157 -0.085 5.519) 5.522 5.646 ( -1.482 -4.672 -5.171) 7.125 5.773 ( -0.810 -4.739 0.472) 4.831 5.919 ( 3.809 -4.542 -4.069) 7.190 6.045 ( -5.778 -2.373 0.084) 6.247 6.169 ( 0.364 -6.895 0.448) 6.919 6.238 ( -2.408 -4.545 4.008) 6.521 6.520 ( 5.013 5.987 3.273) 8.467 6.587 ( -1.130 -3.855 -3.175) 5.120 6.763 ( 0.817 1.591 -1.804) 2.540 6.821 ( 2.153 -2.434 -1.711) 3.672 6.883 ( -4.028 -1.664 3.889) 5.841 6.964 ( -1.343 -0.237 -3.814) 4.051 7.058 ( -1.940 -1.740 0.493) 2.652 7.110 ( -0.967 2.644 0.684) 2.897 7.225 ( -2.948 -2.513 -1.544) 4.170 7.395 ( 5.822 -3.207 2.341) 7.047 7.512 ( -3.134 0.035 -1.191) 3.352 7.567 ( 1.184 0.900 0.985) 1.784 7.748 ( 0.470 0.261 -0.340) 0.636 7.782 ( 3.090 1.627 1.227) 3.701 7.877 ( 0.296 0.589 -0.731) 0.984 7.905 ( -3.244 0.949 0.274) 3.391 8.944 ( 0.927 0.167 -0.070) 0.944 9.040 ( -0.196 0.996 0.054) 1.016 9.349 ( -0.560 -2.151 0.212) 2.232 9.449 ( -1.073 -4.587 -0.036) 4.711 10.111 ( -0.173 -1.280 -0.612) 1.430 10.292 ( 0.689 -2.946 2.844) 4.152 10.432 ( -0.837 0.405 -3.025) 3.165 10.583 ( -0.368 -1.623 0.302) 1.691 12.000 ( -0.064 0.304 0.152) 0.346 12.034 ( 0.239 0.515 0.360) 0.672 13.818 ( -0.153 1.460 1.299) 1.960 13.826 ( -0.952 0.979 -4.119) 4.339 13.835 ( 0.846 1.152 -0.324) 1.466 13.990 ( -0.109 1.203 -0.314) 1.248 14.134 ( 0.267 0.147 3.171) 3.186 14.186 ( 0.315 3.521 -0.099) 3.536 14.537 ( -0.457 -0.591 0.469) 0.882 14.741 ( -0.115 -2.327 -0.111) 2.333 15.368 ( 0.215 -0.308 -0.130) 0.397 15.462 ( 0.448 -1.776 0.081) 1.834 15.854 ( 0.317 0.864 0.542) 1.067 15.863 ( 0.070 3.192 -1.355) 3.468 16.231 ( 0.535 2.915 0.601) 3.024 16.242 ( 0.344 2.749 0.579) 2.830 16.534 ( -0.791 1.186 -1.490) 2.062 16.602 ( 0.033 -0.772 0.887) 1.176 17.377 ( -0.244 -2.229 -0.446) 2.286 17.484 ( -0.363 -2.325 0.447) 2.395 20.305 ( -0.895 1.861 -1.514) 2.561 20.386 ( 0.160 -1.973 1.468) 2.464 21.634 ( -0.076 -2.442 0.025) 2.443 21.651 ( -0.136 -3.697 -0.020) 3.700 24.965 ( -1.306 3.283 -1.293) 3.762 25.041 ( -0.098 -1.000 1.362) 1.692 27.699 ( -1.081 0.256 -0.742) 1.336 27.736 ( -0.642 -1.398 0.695) 1.688 28.698 ( -0.073 -0.307 0.084) 0.326 28.715 ( -0.024 -0.105 -0.088) 0.139 29.292 ( -0.070 -0.150 0.136) 0.214 29.294 ( -0.034 -0.277 -0.135) 0.310 31.989 ( 0.354 -2.816 -0.065) 2.839 31.999 ( 0.338 -3.042 0.056) 3.061 32.940 ( 2.898 5.896 0.072) 6.570 33.043 ( -1.119 5.666 -0.061) 5.776 33.254 ( 3.362 7.750 0.022) 8.448 33.320 ( -0.054 7.768 -0.010) 7.768 33.808 ( -0.006 -7.218 -0.638) 7.246 33.965 ( 0.204 -8.979 0.983) 9.035 34.372 ( -0.757 -6.952 -0.762) 7.034 34.508 ( -0.474 -9.746 0.391) 9.766 35.775 ( 0.510 8.836 0.469) 8.863 35.803 ( 0.539 9.456 -0.460) 9.482 ======================= Grid point 41 (30/102) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 -6.666 -0.000) 6.666 1.578 ( 0.000 7.703 0.000) 7.703 1.781 ( -0.000 -6.527 -0.000) 6.527 1.828 ( 0.000 6.694 0.000) 6.694 1.984 ( -0.000 -3.404 -0.000) 3.404 2.161 ( -0.000 -0.711 -0.000) 0.711 2.430 ( 0.000 4.634 0.000) 4.634 2.454 ( -0.000 -1.727 -0.000) 1.727 2.657 ( 0.000 1.628 0.000) 1.628 2.659 ( 0.000 1.069 0.000) 1.069 3.021 ( 0.000 0.525 0.000) 0.525 3.034 ( 0.000 8.058 0.000) 8.058 3.036 ( 0.000 4.267 0.000) 4.267 3.117 ( 0.000 2.272 0.000) 2.272 3.130 ( 0.000 3.935 0.000) 3.935 3.180 ( 0.000 5.435 0.000) 5.435 3.323 ( -0.000 -5.295 -0.000) 5.295 3.325 ( 0.000 2.277 0.000) 2.277 3.525 ( -0.000 -2.273 -0.000) 2.273 3.630 ( 0.000 1.677 0.000) 1.677 3.742 ( -0.000 -2.187 -0.000) 2.187 3.840 ( 0.000 2.290 0.000) 2.290 3.945 ( 0.000 13.729 0.000) 13.729 4.028 ( -0.000 -6.154 -0.000) 6.154 4.086 ( 0.000 16.421 0.000) 16.421 4.270 ( 0.000 6.450 0.000) 6.450 4.392 ( -0.000 -19.016 -0.000) 19.016 4.511 ( -0.000 -5.860 -0.000) 5.860 4.843 ( 0.000 11.983 0.000) 11.983 4.935 ( 0.000 8.745 0.000) 8.745 5.258 ( -0.000 -5.049 -0.000) 5.049 5.284 ( -0.000 -1.166 -0.000) 1.166 5.476 ( -0.000 -0.128 -0.000) 0.128 5.579 ( 0.000 2.335 0.000) 2.335 5.754 ( -0.000 -8.201 -0.000) 8.201 5.883 ( -0.000 -6.719 -0.000) 6.719 5.947 ( 0.000 2.305 0.000) 2.305 6.113 ( -0.000 -8.833 -0.000) 8.833 6.231 ( 0.000 3.253 0.000) 3.253 6.321 ( -0.000 -4.026 -0.000) 4.026 6.395 ( 0.000 3.450 0.000) 3.450 6.650 ( -0.000 -2.238 -0.000) 2.238 6.679 ( 0.000 7.093 0.000) 7.093 6.840 ( -0.000 -0.094 -0.000) 0.094 6.929 ( -0.000 -3.917 -0.000) 3.917 6.967 ( -0.000 -0.665 -0.000) 0.665 7.066 ( 0.000 0.168 0.000) 0.168 7.096 ( -0.000 -2.562 -0.000) 2.562 7.235 ( 0.000 0.184 0.000) 0.184 7.428 ( 0.000 3.587 0.000) 3.587 7.512 ( -0.000 -1.677 -0.000) 1.677 7.554 ( 0.000 1.131 0.000) 1.131 7.776 ( 0.000 1.376 0.000) 1.376 7.805 ( -0.000 -6.137 -0.000) 6.137 7.867 ( -0.000 -0.079 -0.000) 0.079 7.890 ( -0.000 -0.552 -0.000) 0.552 8.936 ( 0.000 1.045 0.000) 1.045 9.035 ( -0.000 -0.376 -0.000) 0.376 9.386 ( -0.000 -2.417 -0.000) 2.417 9.523 ( -0.000 -4.389 -0.000) 4.389 10.135 ( -0.000 -1.595 -0.000) 1.595 10.346 ( -0.000 -2.478 -0.000) 2.478 10.417 ( 0.000 0.476 0.000) 0.476 10.608 ( -0.000 -1.461 -0.000) 1.461 11.991 ( 0.000 0.696 0.000) 0.696 12.032 ( -0.000 -0.111 -0.000) 0.111 13.792 ( 0.000 1.029 0.000) 1.029 13.804 ( 0.000 1.012 0.000) 1.012 13.829 ( 0.000 0.120 0.000) 0.120 13.972 ( 0.000 0.800 0.000) 0.800 14.104 ( 0.000 2.965 0.000) 2.965 14.181 ( -0.000 -2.079 -0.000) 2.079 14.541 ( -0.000 -0.176 -0.000) 0.176 14.779 ( -0.000 -2.165 -0.000) 2.165 15.371 ( 0.000 0.197 0.000) 0.197 15.503 ( -0.000 -2.401 -0.000) 2.401 15.802 ( 0.000 3.615 0.000) 3.615 15.841 ( 0.000 0.889 0.000) 0.889 16.183 ( 0.000 2.979 0.000) 2.979 16.194 ( 0.000 2.992 0.000) 2.992 16.505 ( 0.000 1.442 0.000) 1.442 16.637 ( -0.000 -3.001 -0.000) 3.001 17.414 ( -0.000 -2.197 -0.000) 2.197 17.520 ( -0.000 -2.060 -0.000) 2.060 20.271 ( 0.000 1.588 0.000) 1.588 20.435 ( -0.000 -3.560 -0.000) 3.560 21.659 ( -0.000 -0.542 -0.000) 0.542 21.706 ( -0.000 -2.776 -0.000) 2.776 24.925 ( 0.000 0.586 0.000) 0.586 25.089 ( -0.000 -4.852 -0.000) 4.852 27.707 ( -0.000 -1.864 -0.000) 1.864 27.777 ( -0.000 -3.752 -0.000) 3.752 28.706 ( -0.000 -0.617 -0.000) 0.617 28.719 ( -0.000 -0.397 -0.000) 0.397 29.293 ( -0.000 -0.034 -0.000) 0.034 29.299 ( -0.000 -0.352 -0.000) 0.352 32.026 ( -0.000 -1.261 -0.000) 1.261 32.040 ( -0.000 -1.514 -0.000) 1.514 32.856 ( 0.000 5.567 0.000) 5.567 32.940 ( 0.000 5.508 0.000) 5.508 33.142 ( 0.000 7.530 0.000) 7.530 33.177 ( 0.000 8.031 0.000) 8.031 33.887 ( -0.000 -1.944 -0.000) 1.944 34.076 ( -0.000 -3.629 -0.000) 3.629 34.470 ( -0.000 -4.450 -0.000) 4.450 34.671 ( -0.000 -9.294 -0.000) 9.294 35.629 ( 0.000 8.375 0.000) 8.375 35.649 ( 0.000 8.700 0.000) 8.700 ======================= Grid point 48 (31/102) ======================= q-point: ( 0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -2.343 -0.000 -9.875) 10.149 1.295 ( 4.165 0.000 3.190) 5.246 1.734 ( 1.315 0.000 -9.331) 9.424 1.829 ( 5.254 0.000 2.665) 5.892 1.949 ( 5.254 0.000 -1.016) 5.352 2.124 ( 6.931 0.000 2.824) 7.484 2.156 ( -2.112 -0.000 -4.250) 4.745 2.485 ( -0.327 -0.000 -12.238) 12.242 2.524 ( 14.201 0.000 15.282) 20.861 2.551 ( 8.871 0.000 5.056) 10.211 2.819 ( -1.073 -0.000 -1.720) 2.027 2.840 ( 1.268 0.000 3.784) 3.991 3.092 ( -10.047 -0.000 2.423) 10.336 3.226 ( 3.910 0.000 0.464) 3.938 3.228 ( 1.901 0.000 6.505) 6.777 3.337 ( 8.015 0.000 -0.123) 8.016 3.461 ( 6.560 0.000 1.071) 6.647 3.583 ( -5.458 -0.000 0.193) 5.462 3.605 ( -1.704 -0.000 0.762) 1.867 3.692 ( 15.341 0.000 0.453) 15.348 3.759 ( 4.830 0.000 -3.907) 6.213 3.779 ( 8.879 0.000 -0.532) 8.895 3.982 ( -4.273 -0.000 -7.747) 8.847 4.096 ( -6.940 -0.000 0.778) 6.984 4.545 ( -1.849 -0.000 10.220) 10.386 4.548 ( 5.532 0.000 -5.990) 8.154 4.684 ( 3.540 0.000 -5.761) 6.762 4.851 ( 2.887 0.000 -0.265) 2.899 4.886 ( -3.385 -0.000 1.334) 3.639 5.115 ( 1.270 0.000 -2.418) 2.731 5.248 ( -1.065 -0.000 2.346) 2.576 5.379 ( -5.019 -0.000 -3.931) 6.375 5.538 ( -0.748 -0.000 -1.854) 1.999 5.560 ( 3.452 0.000 -1.173) 3.646 5.590 ( 3.892 0.000 -0.851) 3.984 5.689 ( -1.406 -0.000 -3.580) 3.846 5.731 ( -4.372 -0.000 5.894) 7.339 5.773 ( 2.163 0.000 -2.324) 3.175 5.958 ( -6.848 -0.000 7.005) 9.796 6.115 ( 7.034 0.000 14.015) 15.681 6.284 ( -3.719 -0.000 -14.236) 14.714 6.526 ( -1.814 -0.000 -2.591) 3.163 6.577 ( -4.027 -0.000 -4.399) 5.964 6.602 ( 2.522 0.000 6.487) 6.960 6.824 ( -4.622 -0.000 1.059) 4.742 6.844 ( -1.951 -0.000 1.750) 2.621 6.914 ( 0.773 0.000 4.519) 4.585 7.112 ( 1.896 0.000 -4.075) 4.494 7.357 ( 1.684 0.000 1.175) 2.053 7.359 ( 1.383 0.000 -0.890) 1.645 7.608 ( -3.895 -0.000 -3.941) 5.541 7.626 ( 0.893 0.000 2.464) 2.621 7.868 ( 2.591 0.000 -0.253) 2.604 7.888 ( 3.299 0.000 -1.132) 3.488 8.019 ( -8.765 -0.000 -3.248) 9.347 8.058 ( -5.005 -0.000 3.663) 6.202 8.899 ( -2.016 -0.000 -6.571) 6.873 9.074 ( 0.774 0.000 8.841) 8.875 9.286 ( -4.878 -0.000 -3.689) 6.116 9.352 ( -1.068 -0.000 3.532) 3.690 10.079 ( 0.036 0.000 0.670) 0.671 10.106 ( -0.973 -0.000 1.218) 1.559 10.509 ( -1.488 -0.000 -1.104) 1.853 10.515 ( -1.251 -0.000 -3.458) 3.677 11.995 ( 0.321 0.000 1.077) 1.124 12.063 ( 0.671 0.000 0.724) 0.987 13.802 ( 2.434 0.000 -1.786) 3.019 13.893 ( 2.428 0.000 1.852) 3.054 13.957 ( -2.643 -0.000 -5.232) 5.861 14.061 ( 0.553 0.000 -0.628) 0.836 14.157 ( 0.713 0.000 13.551) 13.570 14.431 ( -0.113 -0.000 0.215) 0.243 14.516 ( -3.511 -0.000 -8.187) 8.908 14.616 ( -0.488 -0.000 0.324) 0.586 15.369 ( 0.027 0.000 -0.264) 0.265 15.509 ( 0.575 0.000 0.153) 0.595 15.885 ( 2.224 0.000 0.374) 2.255 15.934 ( 3.319 0.000 -2.378) 4.083 16.299 ( 4.570 0.000 9.978) 10.974 16.344 ( -0.786 -0.000 -2.234) 2.369 16.628 ( -3.908 -0.000 -0.732) 3.976 16.691 ( -4.767 -0.000 -5.926) 7.606 17.312 ( -1.528 -0.000 -0.598) 1.641 17.369 ( -2.218 -0.000 1.096) 2.474 20.335 ( 0.201 0.000 7.556) 7.559 20.451 ( -4.605 -0.000 -6.874) 8.274 21.403 ( 0.093 0.000 3.044) 3.045 21.442 ( -0.321 -0.000 -2.894) 2.912 25.143 ( -5.706 -0.000 5.311) 7.795 25.399 ( -13.441 -0.000 -5.691) 14.596 27.826 ( -6.330 -0.000 3.014) 7.011 27.868 ( -6.443 -0.000 -2.670) 6.974 28.700 ( -1.716 -0.000 1.237) 2.115 28.728 ( -1.335 -0.000 -1.274) 1.845 29.275 ( -0.821 -0.000 1.344) 1.575 29.285 ( -0.225 -0.000 -1.269) 1.289 31.780 ( 2.061 0.000 0.160) 2.067 31.788 ( 2.303 0.000 -0.190) 2.311 33.159 ( 3.136 0.000 0.190) 3.142 33.200 ( 2.840 0.000 -1.251) 3.103 33.224 ( 1.570 0.000 1.589) 2.234 33.287 ( 0.735 0.000 -0.586) 0.940 33.523 ( 7.282 0.000 1.401) 7.416 33.577 ( 9.782 0.000 -1.710) 9.931 34.037 ( 0.182 0.000 3.578) 3.583 34.073 ( 5.806 0.000 -3.250) 6.653 36.137 ( 4.897 0.000 4.143) 6.414 36.249 ( 1.902 0.000 -4.210) 4.620 ======================= Grid point 49 (32/102) ======================= q-point: ( 0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -3.325 9.043 -7.423) 12.163 1.432 ( 3.679 -6.957 7.512) 10.880 1.820 ( 1.601 -3.638 -12.235) 12.865 1.924 ( 1.384 -8.204 2.415) 8.663 2.101 ( 0.030 -16.365 -0.566) 16.375 2.159 ( 0.993 -3.094 -1.439) 3.554 2.246 ( 8.407 -3.979 2.388) 9.603 2.491 ( 1.788 -4.115 -7.288) 8.559 2.631 ( 8.017 2.954 6.384) 10.665 2.669 ( 8.176 -1.258 1.894) 8.486 2.798 ( -2.373 -2.297 2.606) 4.207 2.837 ( -6.912 -0.026 -0.814) 6.960 3.010 ( -7.467 -1.846 0.228) 7.695 3.186 ( 8.225 5.618 6.367) 11.821 3.266 ( -2.336 0.048 1.899) 3.011 3.330 ( 2.056 4.929 -0.978) 5.430 3.507 ( 0.464 3.714 1.545) 4.049 3.530 ( -1.794 2.625 3.096) 4.437 3.554 ( 2.777 7.960 -2.860) 8.902 3.705 ( 2.534 1.253 -2.641) 3.869 3.758 ( 5.142 6.400 -2.231) 8.508 3.849 ( 0.042 5.840 2.513) 6.357 3.961 ( 6.346 -0.101 0.802) 6.397 4.017 ( 0.107 0.612 -5.121) 5.158 4.410 ( -6.977 8.603 5.888) 12.544 4.636 ( 7.224 -0.556 -5.348) 9.005 4.688 ( -0.092 0.661 -0.895) 1.116 4.853 ( 5.754 0.505 2.280) 6.210 4.943 ( 3.298 -2.478 -1.641) 4.439 5.113 ( 0.242 2.556 -1.352) 2.902 5.168 ( 0.412 0.246 0.618) 0.782 5.433 ( -2.629 -3.641 -2.948) 5.372 5.514 ( -0.628 0.825 -1.512) 1.834 5.635 ( -1.522 -0.997 -0.650) 1.932 5.654 ( -1.626 -0.001 -0.638) 1.747 5.668 ( 4.300 -5.033 -1.962) 6.904 5.733 ( -0.893 -3.767 3.517) 5.230 5.781 ( -2.693 -1.102 -2.987) 4.170 5.915 ( -1.536 0.985 9.152) 9.332 6.081 ( 1.087 6.411 -0.102) 6.503 6.336 ( -0.398 -6.126 -1.800) 6.397 6.521 ( -1.839 -1.854 -5.188) 5.808 6.556 ( 0.312 -3.510 0.833) 3.621 6.665 ( 1.259 -2.672 4.376) 5.279 6.781 ( -2.814 -0.163 -1.048) 3.007 6.868 ( -3.302 -3.781 0.132) 5.022 6.971 ( 1.510 -4.788 5.083) 7.144 7.125 ( -0.686 -0.562 -2.622) 2.768 7.303 ( 3.080 5.216 -0.182) 6.060 7.381 ( -0.371 1.375 -0.567) 1.533 7.565 ( -4.143 0.066 -1.387) 4.370 7.626 ( 0.362 0.663 1.291) 1.496 7.871 ( 0.917 1.664 -0.824) 2.071 7.892 ( 0.608 2.391 -0.228) 2.478 7.937 ( -2.650 0.991 -0.999) 3.000 8.012 ( -4.376 0.842 1.479) 4.696 8.884 ( -1.237 -1.041 -4.183) 4.485 9.098 ( 1.580 -0.478 7.008) 7.200 9.241 ( -4.270 -0.418 -4.259) 6.045 9.352 ( -0.987 -0.539 2.249) 2.515 10.082 ( 0.187 -0.057 0.481) 0.519 10.121 ( -0.572 -2.318 1.259) 2.699 10.483 ( -1.223 0.855 -2.066) 2.549 10.514 ( -1.016 -1.072 -1.239) 1.928 11.999 ( 0.214 -0.025 0.794) 0.823 12.067 ( 0.514 0.360 0.503) 0.804 13.824 ( 2.233 -0.135 -1.939) 2.961 13.905 ( 1.709 1.186 0.298) 2.101 13.922 ( -2.358 0.671 -3.270) 4.087 14.059 ( 0.227 0.669 -0.352) 0.789 14.166 ( 0.482 1.159 9.176) 9.261 14.406 ( -0.096 2.766 -1.357) 3.082 14.490 ( -2.008 -0.921 -2.965) 3.697 14.629 ( -0.251 -1.556 0.319) 1.608 15.364 ( 0.062 0.532 -0.164) 0.560 15.498 ( 0.498 1.723 0.169) 1.801 15.895 ( 1.514 0.817 0.287) 1.744 15.953 ( 2.191 0.661 -1.851) 2.944 16.325 ( 0.284 0.984 -0.478) 1.130 16.337 ( 2.588 1.071 5.515) 6.185 16.585 ( -2.290 1.145 0.127) 2.563 16.648 ( -3.418 -0.056 -4.272) 5.471 17.303 ( -1.017 -0.585 -0.649) 1.340 17.369 ( -1.383 -1.699 0.883) 2.362 20.344 ( 0.163 -0.022 5.168) 5.170 20.402 ( -3.106 0.597 -4.903) 5.835 21.434 ( -0.046 -2.998 2.089) 3.654 21.460 ( -0.269 -2.622 -2.026) 3.324 25.093 ( -3.476 1.167 3.073) 4.784 25.259 ( -7.621 3.759 -3.260) 9.101 27.772 ( -4.041 0.774 1.967) 4.561 27.802 ( -4.421 1.270 -1.808) 4.942 28.690 ( -0.900 -0.142 0.752) 1.181 28.717 ( -0.655 0.025 -0.790) 1.027 29.273 ( -0.562 -0.385 0.940) 1.161 29.283 ( -0.156 -0.197 -0.884) 0.919 31.816 ( 1.302 -2.147 0.076) 2.512 31.824 ( 1.476 -2.042 -0.099) 2.522 33.156 ( 2.868 3.131 -0.030) 4.246 33.227 ( 1.356 0.326 0.175) 1.406 33.280 ( 1.212 -5.953 -0.080) 6.076 33.355 ( 0.933 -6.365 -0.130) 6.434 33.559 ( 5.629 2.809 0.919) 6.358 33.642 ( 6.709 1.778 -1.248) 7.051 34.062 ( -0.886 -3.166 2.192) 3.952 34.141 ( 2.224 -3.271 -1.832) 4.359 36.142 ( 3.097 4.175 2.436) 5.741 36.218 ( 1.602 4.871 -2.423) 5.671 ======================= Grid point 50 (33/102) ======================= q-point: ( 0.55 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -2.352 4.365 -3.753) 6.219 1.567 ( 1.650 -4.675 7.878) 9.308 1.784 ( -0.266 4.013 -9.456) 10.275 2.080 ( 0.747 -2.742 0.508) 2.887 2.236 ( 5.071 -5.272 -1.000) 7.383 2.423 ( 3.282 -11.118 0.813) 11.621 2.451 ( -0.439 -12.628 1.345) 12.707 2.592 ( 6.547 0.265 -1.358) 6.692 2.671 ( 0.357 -3.614 3.324) 4.923 2.714 ( 5.440 -4.320 0.117) 6.948 2.731 ( -3.992 4.151 -2.097) 6.129 2.820 ( -5.856 -0.349 -2.354) 6.321 2.999 ( -4.644 -1.672 0.963) 5.029 3.151 ( 0.652 9.315 -0.557) 9.354 3.196 ( 8.218 2.939 5.793) 10.476 3.302 ( -2.490 1.743 -2.200) 3.752 3.386 ( -0.362 5.485 0.480) 5.518 3.433 ( -5.269 0.238 -0.923) 5.355 3.482 ( 1.707 1.038 2.009) 2.833 3.644 ( -1.187 6.915 -2.315) 7.389 3.724 ( 1.185 1.600 5.123) 5.496 3.767 ( 0.888 0.860 -2.187) 2.512 4.009 ( 6.967 4.080 -4.730) 9.358 4.030 ( 6.596 1.817 -0.825) 6.891 4.189 ( -10.270 7.254 6.039) 13.949 4.619 ( -0.281 4.569 -3.941) 6.040 4.682 ( 1.674 3.588 1.894) 4.389 4.895 ( 6.141 4.687 0.388) 7.735 4.984 ( 1.019 -0.641 -2.157) 2.471 5.100 ( -1.227 -2.475 0.703) 2.851 5.184 ( 1.719 1.350 0.755) 2.313 5.426 ( 3.692 4.023 -1.132) 5.576 5.505 ( -0.881 -1.160 0.849) 1.687 5.544 ( -2.432 4.406 -2.184) 5.486 5.685 ( -1.340 0.917 4.514) 4.797 5.702 ( -2.629 -0.490 -3.254) 4.212 5.785 ( 1.932 -0.126 2.431) 3.108 5.856 ( -2.016 -11.658 -5.201) 12.924 5.949 ( 0.732 -4.175 4.924) 6.497 6.044 ( -1.093 -3.351 -1.899) 4.004 6.398 ( -0.546 -2.530 -2.528) 3.618 6.581 ( 1.957 -4.351 0.115) 4.772 6.650 ( -2.102 -6.406 0.748) 6.783 6.730 ( 3.335 -2.298 3.478) 5.338 6.783 ( -0.732 -2.821 -1.550) 3.301 6.902 ( -3.594 -4.209 -0.017) 5.535 7.081 ( 0.043 -5.671 1.411) 5.844 7.097 ( -1.827 2.744 -1.591) 3.661 7.257 ( 3.892 3.948 2.124) 5.937 7.322 ( -1.599 2.942 -1.955) 3.877 7.531 ( -2.696 -0.226 -0.157) 2.710 7.617 ( 0.927 1.231 0.758) 1.718 7.817 ( -1.835 2.861 -1.299) 3.639 7.858 ( 1.999 2.579 0.858) 3.374 7.917 ( 0.603 1.454 -0.108) 1.578 7.956 ( -3.298 1.436 0.206) 3.603 8.903 ( -0.045 -2.062 -1.588) 2.603 9.115 ( 1.929 2.237 3.961) 4.941 9.231 ( -3.239 -3.964 -3.110) 5.989 9.356 ( -0.721 -0.818 0.813) 1.360 10.086 ( 0.054 -0.244 0.094) 0.267 10.171 ( -0.144 -3.638 1.072) 3.795 10.457 ( -0.602 0.907 -1.371) 1.751 10.527 ( -0.575 -1.478 -0.373) 1.629 12.002 ( 0.091 -0.045 0.426) 0.438 12.061 ( 0.270 0.739 0.238) 0.822 13.839 ( 1.481 0.246 -1.889) 2.413 13.875 ( -1.604 1.392 -1.999) 2.916 13.897 ( 0.736 1.807 0.860) 2.132 14.041 ( -0.010 1.438 -0.065) 1.439 14.154 ( 0.275 1.291 4.192) 4.394 14.341 ( 0.024 4.396 -0.966) 4.501 14.498 ( -0.771 -1.503 -0.237) 1.705 14.659 ( -0.241 -2.230 0.016) 2.243 15.357 ( 0.068 0.142 -0.064) 0.170 15.470 ( 0.401 1.852 0.143) 1.901 15.888 ( 0.686 1.159 0.172) 1.358 15.946 ( 0.856 1.645 -1.093) 2.153 16.306 ( 0.105 1.361 -0.631) 1.504 16.332 ( 1.425 2.326 2.552) 3.736 16.555 ( -0.887 0.690 0.406) 1.195 16.618 ( -1.421 0.479 -1.798) 2.341 17.312 ( -0.469 -1.367 -0.464) 1.518 17.397 ( -0.655 -2.540 0.532) 2.676 20.350 ( 0.032 0.025 2.291) 2.291 20.363 ( -1.381 0.821 -2.239) 2.756 21.500 ( -0.106 -4.476 0.913) 4.569 21.514 ( -0.180 -3.970 -0.898) 4.074 25.051 ( -1.320 1.290 1.343) 2.282 25.131 ( -2.849 5.019 -1.378) 5.934 27.734 ( -1.686 0.707 0.901) 2.038 27.743 ( -2.023 1.732 -0.866) 2.800 28.689 ( -0.303 -0.281 0.286) 0.503 28.713 ( -0.215 -0.034 -0.304) 0.374 29.278 ( -0.250 -0.530 0.435) 0.730 29.286 ( -0.059 -0.277 -0.413) 0.501 31.872 ( 0.521 -3.355 -0.021) 3.395 31.880 ( 0.600 -3.273 0.010) 3.327 33.122 ( 2.663 4.165 -0.021) 4.944 33.204 ( -0.317 2.935 0.106) 2.954 33.405 ( 1.062 -5.304 -0.226) 5.414 33.487 ( 1.773 -4.520 0.099) 4.856 33.555 ( 2.560 0.317 0.182) 2.586 33.653 ( 1.682 -0.948 -0.214) 1.943 34.131 ( -1.283 -5.917 0.588) 6.083 34.226 ( 0.393 -5.762 -0.527) 5.799 36.065 ( 1.410 7.309 0.956) 7.505 36.117 ( 0.999 7.997 -0.941) 8.114 ======================= Grid point 51 (34/102) ======================= q-point: ( 0.64 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.000 -4.979 -0.000) 4.979 1.635 ( -0.000 -1.926 -0.000) 1.926 1.710 ( 0.000 2.927 0.000) 2.927 2.071 ( 0.000 2.667 0.000) 2.667 2.311 ( 0.000 17.704 0.000) 17.704 2.360 ( -0.000 -4.545 -0.000) 4.545 2.402 ( 0.000 13.611 0.000) 13.611 2.638 ( 0.000 3.670 0.000) 3.670 2.715 ( 0.000 1.087 0.000) 1.087 2.722 ( 0.000 1.335 0.000) 1.335 2.843 ( -0.000 -13.453 -0.000) 13.453 2.914 ( -0.000 -8.703 -0.000) 8.703 3.019 ( -0.000 -4.527 -0.000) 4.527 3.093 ( -0.000 -2.140 -0.000) 2.140 3.207 ( 0.000 1.838 0.000) 1.838 3.230 ( -0.000 -0.925 -0.000) 0.925 3.362 ( 0.000 1.531 0.000) 1.531 3.493 ( 0.000 8.634 0.000) 8.634 3.503 ( -0.000 -4.285 -0.000) 4.285 3.518 ( -0.000 -7.683 -0.000) 7.683 3.720 ( 0.000 2.351 0.000) 2.351 3.795 ( -0.000 -5.326 -0.000) 5.326 3.955 ( 0.000 6.337 0.000) 6.337 4.004 ( 0.000 1.409 0.000) 1.409 4.110 ( -0.000 -2.976 -0.000) 2.976 4.511 ( 0.000 6.896 0.000) 6.896 4.559 ( 0.000 10.664 0.000) 10.664 4.741 ( 0.000 15.220 0.000) 15.220 4.997 ( 0.000 0.615 0.000) 0.615 5.129 ( 0.000 0.169 0.000) 0.169 5.173 ( 0.000 0.169 0.000) 0.169 5.367 ( 0.000 5.273 0.000) 5.273 5.472 ( 0.000 1.507 0.000) 1.507 5.558 ( -0.000 -5.021 -0.000) 5.021 5.615 ( 0.000 2.366 0.000) 2.366 5.739 ( -0.000 -0.931 -0.000) 0.931 5.821 ( -0.000 -5.255 -0.000) 5.255 5.996 ( -0.000 -4.102 -0.000) 4.102 6.046 ( -0.000 -6.404 -0.000) 6.404 6.134 ( -0.000 -6.841 -0.000) 6.841 6.459 ( -0.000 -6.022 -0.000) 6.022 6.632 ( 0.000 0.926 0.000) 0.926 6.738 ( -0.000 -6.481 -0.000) 6.481 6.781 ( -0.000 -0.401 -0.000) 0.401 6.848 ( -0.000 -2.912 -0.000) 2.912 6.970 ( -0.000 -5.919 -0.000) 5.919 6.999 ( 0.000 5.715 0.000) 5.715 7.153 ( -0.000 -3.380 -0.000) 3.380 7.193 ( 0.000 5.565 0.000) 5.565 7.333 ( -0.000 -4.574 -0.000) 4.574 7.520 ( 0.000 0.583 0.000) 0.583 7.598 ( 0.000 1.747 0.000) 1.747 7.764 ( 0.000 1.984 0.000) 1.984 7.831 ( 0.000 2.132 0.000) 2.132 7.897 ( 0.000 1.185 0.000) 1.185 7.908 ( 0.000 1.804 0.000) 1.804 8.936 ( -0.000 -1.592 -0.000) 1.592 9.075 ( 0.000 2.906 0.000) 2.906 9.294 ( -0.000 -4.216 -0.000) 4.216 9.378 ( -0.000 -2.560 -0.000) 2.560 10.093 ( -0.000 -0.695 -0.000) 0.695 10.236 ( -0.000 -3.809 -0.000) 3.809 10.439 ( 0.000 0.815 0.000) 0.815 10.552 ( -0.000 -1.709 -0.000) 1.709 12.003 ( 0.000 0.005 0.000) 0.005 12.048 ( 0.000 0.919 0.000) 0.919 13.837 ( 0.000 0.706 0.000) 0.706 13.840 ( 0.000 1.536 0.000) 1.536 13.868 ( 0.000 1.993 0.000) 1.993 14.014 ( 0.000 1.637 0.000) 1.637 14.141 ( 0.000 0.596 0.000) 0.596 14.262 ( 0.000 4.795 0.000) 4.795 14.519 ( -0.000 -1.264 -0.000) 1.264 14.699 ( -0.000 -2.495 -0.000) 2.495 15.361 ( -0.000 -0.491 -0.000) 0.491 15.451 ( 0.000 0.326 0.000) 0.326 15.872 ( 0.000 1.070 0.000) 1.070 15.913 ( 0.000 2.590 0.000) 2.590 16.277 ( 0.000 2.138 0.000) 2.138 16.294 ( 0.000 2.939 0.000) 2.939 16.542 ( 0.000 0.450 0.000) 0.450 16.601 ( 0.000 0.523 0.000) 0.523 17.339 ( -0.000 -1.991 -0.000) 1.991 17.440 ( -0.000 -2.670 -0.000) 2.670 20.330 ( 0.000 1.588 0.000) 1.588 20.364 ( -0.000 -0.895 -0.000) 0.895 21.577 ( -0.000 -4.264 -0.000) 4.264 21.581 ( -0.000 -4.056 -0.000) 4.056 25.019 ( 0.000 2.981 0.000) 2.981 25.045 ( 0.000 2.317 0.000) 2.317 27.707 ( 0.000 1.341 0.000) 1.341 27.721 ( -0.000 -0.058 -0.000) 0.058 28.693 ( -0.000 -0.279 -0.000) 0.279 28.713 ( -0.000 -0.069 -0.000) 0.069 29.286 ( -0.000 -0.432 -0.000) 0.432 29.290 ( -0.000 -0.234 -0.000) 0.234 31.935 ( -0.000 -3.588 -0.000) 3.588 31.942 ( -0.000 -3.643 -0.000) 3.643 33.054 ( 0.000 5.475 0.000) 5.475 33.131 ( 0.000 5.050 0.000) 5.050 33.390 ( 0.000 5.896 0.000) 5.896 33.454 ( 0.000 7.025 0.000) 7.025 33.661 ( -0.000 -9.297 -0.000) 9.297 33.788 ( -0.000 -11.256 -0.000) 11.256 34.240 ( -0.000 -7.474 -0.000) 7.474 34.348 ( -0.000 -8.448 -0.000) 8.448 35.932 ( 0.000 8.903 0.000) 8.903 35.970 ( 0.000 9.533 0.000) 9.533 ======================= Grid point 61 (35/102) ======================= q-point: ( 0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -2.487 -0.000 -4.273) 4.944 1.372 ( 2.024 0.000 3.881) 4.377 1.756 ( 2.656 0.000 -2.003) 3.327 1.874 ( 0.342 0.000 1.478) 1.517 1.928 ( -3.566 -0.000 -4.680) 5.884 2.144 ( 0.499 0.000 -0.971) 1.092 2.311 ( 10.653 0.000 2.872) 11.033 2.455 ( -1.778 -0.000 -6.129) 6.382 2.666 ( 3.775 0.000 2.699) 4.641 2.743 ( 2.606 0.000 4.496) 5.196 2.744 ( -9.852 -0.000 1.447) 9.957 2.784 ( 0.408 0.000 -2.837) 2.866 2.955 ( -1.567 -0.000 0.275) 1.591 3.198 ( -0.645 -0.000 7.917) 7.944 3.335 ( -4.782 -0.000 -6.742) 8.266 3.409 ( 11.508 0.000 1.734) 11.637 3.507 ( -2.393 -0.000 1.592) 2.874 3.554 ( 0.887 0.000 2.113) 2.292 3.696 ( 6.609 0.000 -1.069) 6.695 3.791 ( -7.386 -0.000 -2.782) 7.893 3.819 ( 2.454 0.000 1.424) 2.837 3.943 ( 2.199 0.000 0.932) 2.388 3.969 ( 3.639 0.000 0.885) 3.745 4.045 ( 9.062 0.000 -6.005) 10.871 4.425 ( -10.425 -0.000 7.190) 12.664 4.681 ( 6.178 0.000 -3.754) 7.229 4.689 ( -0.382 -0.000 -1.698) 1.741 4.831 ( -2.743 -0.000 1.478) 3.116 4.990 ( 6.890 0.000 0.459) 6.906 5.138 ( 1.458 0.000 -2.849) 3.201 5.205 ( -2.561 -0.000 2.339) 3.469 5.271 ( -3.899 -0.000 -4.031) 5.608 5.545 ( 0.870 0.000 -1.315) 1.576 5.589 ( 0.399 0.000 -0.730) 0.832 5.645 ( 0.453 0.000 -0.727) 0.857 5.663 ( -0.642 -0.000 -1.498) 1.630 5.706 ( 0.871 0.000 3.350) 3.462 5.773 ( -0.664 -0.000 -3.115) 3.185 5.958 ( 2.500 0.000 11.119) 11.396 6.166 ( -4.630 -0.000 -10.232) 11.231 6.266 ( 5.035 0.000 9.283) 10.561 6.450 ( -3.452 -0.000 -6.055) 6.970 6.554 ( 0.637 0.000 0.309) 0.708 6.643 ( 0.746 0.000 2.555) 2.662 6.745 ( -2.800 -0.000 -1.700) 3.276 6.823 ( -0.610 -0.000 0.752) 0.968 6.943 ( 0.675 0.000 3.055) 3.129 7.121 ( 0.265 0.000 -1.870) 1.888 7.380 ( 0.561 0.000 0.668) 0.872 7.386 ( 1.491 0.000 -0.879) 1.731 7.531 ( -2.947 -0.000 -0.432) 2.978 7.628 ( -0.342 -0.000 0.637) 0.723 7.873 ( -2.568 -0.000 -1.884) 3.185 7.916 ( -0.361 -0.000 0.404) 0.542 7.934 ( 1.935 0.000 -0.396) 1.975 7.991 ( -2.671 -0.000 1.256) 2.952 8.857 ( -0.993 -0.000 -2.560) 2.746 9.104 ( 0.670 0.000 3.929) 3.986 9.211 ( -2.175 -0.000 -2.197) 3.091 9.345 ( -0.310 -0.000 1.287) 1.324 10.086 ( 0.298 0.000 0.463) 0.551 10.095 ( -0.386 -0.000 0.459) 0.600 10.483 ( -0.828 -0.000 -0.601) 1.023 10.492 ( -0.481 -0.000 -1.224) 1.315 12.001 ( 0.116 0.000 0.411) 0.427 12.074 ( 0.274 0.000 0.282) 0.393 13.841 ( 1.942 0.000 -1.189) 2.277 13.901 ( -2.115 -0.000 -2.022) 2.926 13.932 ( 1.203 0.000 0.352) 1.254 14.066 ( 0.090 0.000 -0.159) 0.183 14.188 ( 0.224 0.000 5.078) 5.082 14.431 ( -0.016 -0.000 0.150) 0.151 14.461 ( -1.114 -0.000 -2.459) 2.700 14.615 ( 0.035 0.000 0.241) 0.243 15.369 ( 0.017 0.000 -0.099) 0.100 15.516 ( 0.173 0.000 0.053) 0.180 15.915 ( 0.831 0.000 0.190) 0.853 15.975 ( 1.270 0.000 -0.976) 1.602 16.329 ( -0.328 -0.000 -0.852) 0.913 16.375 ( 1.625 0.000 3.729) 4.068 16.579 ( -1.234 -0.000 -0.140) 1.242 16.615 ( -1.926 -0.000 -2.292) 2.994 17.291 ( -0.520 -0.000 -0.269) 0.586 17.344 ( -0.662 -0.000 0.370) 0.758 20.350 ( 0.083 0.000 2.748) 2.749 20.379 ( -1.660 -0.000 -2.631) 3.111 21.409 ( 0.015 0.000 1.119) 1.119 21.433 ( -0.079 -0.000 -1.102) 1.105 25.079 ( -1.933 -0.000 1.486) 2.438 25.233 ( -3.939 -0.000 -1.581) 4.244 27.750 ( -2.190 -0.000 1.028) 2.420 27.778 ( -2.370 -0.000 -0.949) 2.553 28.683 ( -0.466 -0.000 0.417) 0.625 28.712 ( -0.305 -0.000 -0.443) 0.538 29.266 ( -0.311 -0.000 0.517) 0.603 29.279 ( -0.090 -0.000 -0.480) 0.488 31.808 ( 0.755 0.000 0.054) 0.757 31.818 ( 0.850 0.000 -0.067) 0.853 33.200 ( 1.145 0.000 0.173) 1.158 33.229 ( 0.753 0.000 -0.762) 1.071 33.251 ( 0.730 0.000 0.880) 1.143 33.295 ( 0.205 0.000 -0.300) 0.364 33.624 ( 2.838 0.000 0.637) 2.909 33.717 ( 4.618 0.000 -1.143) 4.757 34.030 ( -1.026 -0.000 1.804) 2.075 34.133 ( 1.525 0.000 -1.310) 2.010 36.202 ( 1.525 0.000 1.271) 1.985 36.268 ( 0.697 0.000 -1.253) 1.434 ======================= Grid point 62 (36/102) ======================= q-point: ( 0.55 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 9.105 0.000) 9.105 1.485 ( -0.000 -7.225 -0.000) 7.225 1.839 ( 0.000 2.884 0.000) 2.884 1.899 ( -0.000 -13.973 -0.000) 13.973 2.089 ( -0.000 -18.575 -0.000) 18.575 2.165 ( -0.000 -2.439 -0.000) 2.439 2.398 ( -0.000 -0.386 -0.000) 0.386 2.484 ( -0.000 -8.329 -0.000) 8.329 2.689 ( 0.000 0.243 0.000) 0.243 2.731 ( 0.000 1.885 0.000) 1.885 2.740 ( -0.000 -4.524 -0.000) 4.524 2.780 ( 0.000 1.288 0.000) 1.288 2.967 ( -0.000 -1.534 -0.000) 1.534 3.239 ( -0.000 -3.194 -0.000) 3.194 3.271 ( 0.000 3.580 0.000) 3.580 3.385 ( 0.000 9.328 0.000) 9.328 3.478 ( 0.000 2.632 0.000) 2.632 3.514 ( 0.000 4.617 0.000) 4.617 3.562 ( 0.000 14.714 0.000) 14.714 3.721 ( 0.000 1.339 0.000) 1.339 3.775 ( 0.000 4.616 0.000) 4.616 3.873 ( 0.000 7.754 0.000) 7.754 4.048 ( -0.000 -3.103 -0.000) 3.103 4.095 ( 0.000 0.968 0.000) 0.968 4.285 ( 0.000 8.664 0.000) 8.664 4.667 ( 0.000 1.780 0.000) 1.780 4.721 ( -0.000 -0.381 -0.000) 0.381 4.899 ( -0.000 -7.127 -0.000) 7.127 4.999 ( 0.000 2.264 0.000) 2.264 5.087 ( 0.000 4.240 0.000) 4.240 5.192 ( -0.000 -2.701 -0.000) 2.701 5.388 ( -0.000 -7.610 -0.000) 7.610 5.537 ( 0.000 1.312 0.000) 1.312 5.608 ( 0.000 4.101 0.000) 4.101 5.639 ( 0.000 1.136 0.000) 1.136 5.652 ( -0.000 -7.857 -0.000) 7.857 5.756 ( -0.000 -3.845 -0.000) 3.845 5.761 ( 0.000 1.327 0.000) 1.327 5.953 ( 0.000 2.259 0.000) 2.259 6.060 ( 0.000 5.324 0.000) 5.324 6.347 ( -0.000 -3.493 -0.000) 3.493 6.486 ( -0.000 -6.208 -0.000) 6.208 6.570 ( -0.000 -2.146 -0.000) 2.146 6.692 ( -0.000 -3.993 -0.000) 3.993 6.738 ( -0.000 -1.006 -0.000) 1.006 6.836 ( -0.000 -1.805 -0.000) 1.805 6.992 ( -0.000 -4.656 -0.000) 4.656 7.115 ( 0.000 0.726 0.000) 0.726 7.355 ( 0.000 3.215 0.000) 3.215 7.364 ( 0.000 3.283 0.000) 3.283 7.514 ( 0.000 0.065 0.000) 0.065 7.628 ( -0.000 -0.023 -0.000) 0.023 7.844 ( 0.000 1.577 0.000) 1.577 7.904 ( 0.000 1.452 0.000) 1.452 7.939 ( 0.000 0.771 0.000) 0.771 7.965 ( 0.000 1.286 0.000) 1.286 8.866 ( -0.000 -1.685 -0.000) 1.685 9.139 ( -0.000 -3.226 -0.000) 3.226 9.178 ( 0.000 2.261 0.000) 2.261 9.346 ( -0.000 -0.224 -0.000) 0.224 10.086 ( 0.000 0.081 0.000) 0.081 10.117 ( -0.000 -2.467 -0.000) 2.467 10.468 ( 0.000 0.815 0.000) 0.815 10.502 ( -0.000 -1.111 -0.000) 1.111 12.002 ( -0.000 -0.014 -0.000) 0.014 12.072 ( 0.000 0.361 0.000) 0.361 13.851 ( 0.000 0.114 0.000) 0.114 13.881 ( 0.000 0.720 0.000) 0.720 13.928 ( 0.000 1.131 0.000) 1.131 14.060 ( 0.000 0.721 0.000) 0.721 14.181 ( 0.000 1.202 0.000) 1.202 14.403 ( 0.000 2.811 0.000) 2.811 14.469 ( -0.000 -1.289 -0.000) 1.289 14.627 ( -0.000 -1.348 -0.000) 1.348 15.364 ( 0.000 0.496 0.000) 0.496 15.503 ( 0.000 1.571 0.000) 1.571 15.910 ( 0.000 0.902 0.000) 0.902 15.972 ( 0.000 0.908 0.000) 0.908 16.322 ( 0.000 0.586 0.000) 0.586 16.373 ( 0.000 1.344 0.000) 1.344 16.564 ( 0.000 0.833 0.000) 0.833 16.610 ( -0.000 -0.321 -0.000) 0.321 17.293 ( -0.000 -0.592 -0.000) 0.592 17.357 ( -0.000 -1.710 -0.000) 1.710 20.352 ( -0.000 -0.011 -0.000) 0.011 20.366 ( 0.000 0.462 0.000) 0.462 21.436 ( -0.000 -2.895 -0.000) 2.895 21.455 ( -0.000 -2.561 -0.000) 2.561 25.063 ( 0.000 0.798 0.000) 0.798 25.187 ( 0.000 3.078 0.000) 3.078 27.736 ( 0.000 0.490 0.000) 0.490 27.757 ( 0.000 1.073 0.000) 1.073 28.683 ( -0.000 -0.236 -0.000) 0.236 28.711 ( -0.000 -0.041 -0.000) 0.041 29.269 ( -0.000 -0.412 -0.000) 0.412 29.281 ( -0.000 -0.218 -0.000) 0.218 31.829 ( -0.000 -1.990 -0.000) 1.990 31.838 ( -0.000 -1.888 -0.000) 1.888 33.184 ( 0.000 2.002 0.000) 2.002 33.239 ( 0.000 1.425 0.000) 1.425 33.291 ( -0.000 -6.094 -0.000) 6.094 33.363 ( -0.000 -7.024 -0.000) 7.024 33.615 ( 0.000 2.644 0.000) 2.644 33.711 ( 0.000 3.102 0.000) 3.102 34.051 ( -0.000 -2.956 -0.000) 2.956 34.159 ( -0.000 -2.479 -0.000) 2.479 36.173 ( 0.000 4.243 0.000) 4.243 36.230 ( 0.000 4.618 0.000) 4.618 ======================= Grid point 125 (37/102) ======================= q-point: ( 0.00 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -11.307 -0.000 25.159) 27.583 0.491 ( 3.737 0.000 23.941) 24.230 0.765 ( 5.689 0.000 -3.748) 6.813 0.890 ( 14.119 0.000 -18.236) 23.063 1.118 ( 3.571 0.000 56.384) 56.496 1.328 ( -23.438 -0.000 -0.194) 23.439 1.404 ( 14.617 0.000 -13.715) 20.044 1.627 ( 3.311 0.000 -2.119) 3.931 1.816 ( 4.223 0.000 -2.866) 5.104 2.116 ( 2.463 0.000 -27.249) 27.360 2.165 ( 0.118 0.000 18.707) 18.707 2.450 ( -1.850 -0.000 -6.608) 6.862 2.532 ( -5.945 -0.000 -13.755) 14.984 2.572 ( -0.190 -0.000 -5.110) 5.114 3.150 ( -3.808 -0.000 11.384) 12.004 3.316 ( -1.651 -0.000 -6.648) 6.850 3.513 ( 2.451 0.000 -2.295) 3.358 3.533 ( -2.131 -0.000 -1.827) 2.807 3.684 ( 1.147 0.000 4.181) 4.335 3.813 ( 4.500 0.000 -7.499) 8.745 4.106 ( -6.550 -0.000 4.758) 8.096 4.117 ( 2.393 0.000 3.019) 3.852 4.228 ( 29.290 0.000 1.406) 29.323 4.257 ( -7.775 -0.000 -1.398) 7.900 4.426 ( 5.453 0.000 6.563) 8.532 4.511 ( -4.785 -0.000 -3.242) 5.780 5.009 ( -0.055 -0.000 17.745) 17.745 5.063 ( -1.733 -0.000 0.849) 1.930 5.083 ( 1.372 0.000 0.249) 1.394 5.268 ( -5.760 -0.000 -5.694) 8.099 5.293 ( 1.016 0.000 -0.346) 1.073 5.319 ( 2.856 0.000 -2.117) 3.555 5.637 ( 0.102 0.000 4.196) 4.197 5.766 ( -1.332 -0.000 -4.379) 4.577 5.769 ( -0.648 -0.000 1.709) 1.828 5.867 ( 0.400 0.000 -13.301) 13.307 6.064 ( 2.511 0.000 0.970) 2.692 6.099 ( -0.096 -0.000 -2.734) 2.736 6.106 ( -3.927 -0.000 2.862) 4.859 6.152 ( 1.603 0.000 -1.922) 2.502 6.475 ( -14.297 -0.000 3.527) 14.726 6.482 ( 9.222 0.000 1.459) 9.337 6.622 ( 2.685 0.000 2.404) 3.605 6.684 ( -3.569 -0.000 -3.432) 4.951 6.755 ( -3.276 -0.000 3.495) 4.790 6.821 ( 0.483 0.000 -3.242) 3.278 6.940 ( 8.825 0.000 3.867) 9.635 6.980 ( -0.567 -0.000 0.270) 0.628 7.003 ( 1.419 0.000 -0.017) 1.419 7.045 ( -0.072 -0.000 -4.838) 4.839 7.255 ( 2.362 0.000 6.487) 6.904 7.393 ( -13.585 -0.000 -8.238) 15.888 7.503 ( 3.002 0.000 1.861) 3.532 7.535 ( -8.007 -0.000 -1.324) 8.115 8.430 ( 5.332 0.000 11.103) 12.317 8.622 ( -3.010 -0.000 -8.371) 8.896 8.878 ( -1.420 -0.000 2.050) 2.494 8.926 ( 2.501 0.000 -2.897) 3.827 9.547 ( -0.156 -0.000 5.921) 5.923 9.659 ( -0.885 -0.000 -5.452) 5.524 10.149 ( 0.251 0.000 0.427) 0.495 10.171 ( -0.833 -0.000 -2.197) 2.349 10.469 ( 2.533 0.000 6.665) 7.130 10.578 ( -2.195 -0.000 -4.644) 5.137 11.977 ( 0.362 0.000 1.937) 1.970 12.015 ( -0.332 -0.000 -1.875) 1.904 13.737 ( -0.142 -0.000 1.678) 1.684 13.773 ( 0.167 0.000 -2.008) 2.015 13.990 ( 0.618 0.000 0.587) 0.852 14.002 ( -0.123 -0.000 -0.569) 0.582 14.487 ( -0.216 -0.000 4.324) 4.329 14.573 ( 0.507 0.000 -4.349) 4.378 15.175 ( -5.317 -0.000 1.829) 5.623 15.213 ( 18.814 0.000 -1.971) 18.917 15.396 ( -0.219 -0.000 1.775) 1.788 15.425 ( 0.163 0.000 -1.189) 1.200 15.673 ( 1.019 0.000 1.317) 1.665 15.701 ( -0.865 -0.000 -1.481) 1.715 16.019 ( 0.543 0.000 0.141) 0.560 16.021 ( -4.898 -0.000 -0.150) 4.900 17.041 ( 1.193 0.000 1.977) 2.308 17.079 ( -1.146 -0.000 -1.911) 2.228 17.668 ( -1.594 -0.000 0.232) 1.610 17.673 ( 0.734 0.000 -0.220) 0.766 20.832 ( 0.137 0.000 0.649) 0.664 20.846 ( 1.403 0.000 -0.666) 1.553 21.513 ( 0.496 0.000 0.459) 0.676 21.522 ( -0.477 -0.000 -0.441) 0.650 28.213 ( -21.242 -0.000 0.410) 21.246 28.221 ( 65.162 0.000 -0.416) 65.164 28.278 ( -0.507 -0.000 0.246) 0.563 28.282 ( 0.600 0.000 -0.237) 0.645 29.084 ( -0.255 -0.000 0.156) 0.299 29.087 ( 0.268 0.000 -0.161) 0.313 29.330 ( -0.792 -0.000 0.122) 0.801 29.332 ( 0.756 0.000 -0.120) 0.765 31.618 ( -0.233 -0.000 0.089) 0.249 31.620 ( 0.235 0.000 -0.090) 0.252 32.702 ( -30.266 -0.000 0.084) 30.266 32.704 ( 10.781 0.000 -0.134) 10.782 32.742 ( -1.360 -0.000 0.379) 1.412 32.749 ( 1.024 0.000 -0.327) 1.075 33.141 ( -0.122 -0.000 0.325) 0.347 33.148 ( 0.166 0.000 -0.423) 0.454 33.244 ( 3.490 0.000 0.671) 3.554 33.256 ( -1.082 -0.000 -0.575) 1.226 35.237 ( -26.148 -0.000 0.009) 26.148 35.237 ( 8.689 0.000 -0.009) 8.689 ======================= Grid point 126 (38/102) ======================= q-point: ( 0.09 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -2.150 -16.911 17.199) 24.216 0.910 ( 4.352 0.116 18.080) 18.597 1.023 ( 7.122 -24.453 -1.227) 25.498 1.092 ( 5.227 -8.340 -5.888) 11.469 1.198 ( 12.660 -14.749 -8.549) 21.234 1.424 ( 19.415 -12.097 24.694) 33.661 1.545 ( 12.644 -4.883 -17.601) 22.215 1.768 ( 7.021 -9.767 12.197) 17.130 1.910 ( 18.722 -1.946 -3.730) 19.189 2.147 ( -1.972 -5.264 -18.584) 19.415 2.308 ( 4.559 -12.883 6.239) 15.022 2.468 ( 1.317 -3.901 -4.395) 6.022 2.531 ( -7.985 -8.102 -11.367) 16.082 2.589 ( 2.969 -3.103 -3.437) 5.500 3.100 ( -8.096 1.318 12.403) 14.870 3.295 ( -2.988 -1.021 -6.287) 7.035 3.423 ( -3.899 6.374 0.750) 7.509 3.547 ( 5.373 -0.481 -3.910) 6.663 3.659 ( -3.474 -0.200 4.787) 5.918 3.822 ( -2.381 -0.333 -7.725) 8.090 3.983 ( -9.735 3.746 0.978) 10.476 4.062 ( 2.298 11.646 11.099) 16.251 4.150 ( -1.436 6.861 -5.015) 8.619 4.214 ( 7.895 2.867 6.057) 10.356 4.356 ( -5.888 8.165 -0.905) 10.107 4.465 ( 3.639 3.692 0.825) 5.249 4.871 ( -1.884 17.078 9.461) 19.615 5.010 ( -0.320 17.819 -2.318) 17.972 5.053 ( -4.639 7.159 -1.739) 8.706 5.139 ( 1.966 5.897 -0.812) 6.269 5.218 ( -5.272 1.173 3.223) 6.289 5.322 ( 7.869 4.044 -0.792) 8.882 5.573 ( 2.520 4.767 5.789) 7.911 5.692 ( -0.589 5.545 -4.882) 7.411 5.757 ( -3.364 3.440 -1.528) 5.048 5.791 ( -2.503 0.766 -2.451) 3.586 6.024 ( -5.258 -2.361 -3.951) 6.988 6.139 ( 0.587 -8.433 -1.054) 8.519 6.263 ( -5.774 -12.204 1.591) 13.595 6.309 ( -3.736 -8.139 -1.447) 9.072 6.381 ( -4.017 -13.753 2.240) 14.502 6.537 ( 5.217 -4.877 -1.729) 7.348 6.677 ( -1.049 0.851 6.744) 6.878 6.738 ( 1.834 4.687 1.923) 5.388 6.821 ( 1.298 -7.113 5.264) 8.943 6.910 ( 2.282 -1.346 -1.955) 3.293 6.996 ( 4.160 -1.586 0.256) 4.459 7.031 ( -0.574 0.587 1.025) 1.313 7.066 ( 3.930 -3.040 -3.842) 6.281 7.209 ( -7.211 -10.053 -11.512) 16.900 7.316 ( -0.478 -9.410 2.481) 9.743 7.378 ( 5.687 -9.807 -4.652) 12.254 7.536 ( 4.191 -0.407 -1.455) 4.455 7.572 ( 6.357 -2.289 1.093) 6.844 8.361 ( -1.698 10.777 6.925) 12.922 8.465 ( -2.997 10.932 -6.374) 13.004 8.907 ( 1.808 -1.053 -0.348) 2.121 8.939 ( 1.479 -0.488 -3.829) 4.134 9.588 ( -1.442 -3.142 5.828) 6.777 9.657 ( -2.990 -1.794 -3.916) 5.244 10.164 ( 0.864 -1.341 1.998) 2.557 10.177 ( -1.821 -1.602 -3.100) 3.936 10.518 ( 2.725 -1.575 6.642) 7.350 10.563 ( -2.542 -1.084 -5.354) 6.026 11.986 ( 0.373 -0.197 1.899) 1.945 12.013 ( 0.099 -0.167 -1.904) 1.914 13.741 ( -0.410 -0.294 1.089) 1.201 13.775 ( 0.709 -0.083 -1.836) 1.970 13.987 ( 0.185 0.846 0.503) 1.002 14.001 ( 0.460 0.152 -0.879) 1.003 14.472 ( -1.197 1.991 3.761) 4.421 14.564 ( 0.272 0.796 -4.607) 4.684 14.846 ( -7.113 26.436 28.111) 39.239 14.998 ( -11.023 8.736 -10.628) 17.629 15.419 ( -0.565 -0.009 0.381) 0.682 15.434 ( -2.517 -1.956 -0.344) 3.206 15.695 ( 2.389 -0.438 1.827) 3.039 15.704 ( 0.426 -0.724 -1.967) 2.139 16.035 ( 3.126 0.423 2.072) 3.775 16.062 ( 8.349 0.516 -2.997) 8.885 16.931 ( -2.407 8.680 1.059) 9.070 16.953 ( -3.690 8.468 -3.678) 9.942 17.580 ( -4.548 2.731 5.573) 7.694 17.650 ( -1.920 1.247 -1.128) 2.552 20.620 ( -2.976 11.694 16.837) 20.714 20.754 ( -3.945 5.928 -6.125) 9.393 21.535 ( -1.602 -3.302 2.889) 4.671 21.593 ( -4.768 -6.176 -6.623) 10.234 26.764 ( -22.758 77.531 70.222) 107.052 27.202 ( -43.312 51.569 -33.645) 75.281 28.246 ( -3.402 2.584 -0.533) 4.305 28.281 ( -0.882 3.693 0.286) 3.807 28.992 ( -4.899 5.184 -1.342) 7.258 29.017 ( -1.442 6.855 0.993) 7.075 29.306 ( -0.653 0.460 0.419) 0.902 29.319 ( 0.017 -0.052 -0.290) 0.296 31.699 ( -0.938 -7.549 1.083) 7.684 31.751 ( -2.522 -7.501 -2.016) 8.166 32.688 ( 8.609 5.097 -0.340) 10.010 32.741 ( 9.991 3.391 0.288) 10.555 32.777 ( 8.038 -0.599 -0.395) 8.070 32.816 ( 8.500 1.027 0.084) 8.562 33.206 ( 0.169 -8.305 0.170) 8.308 33.229 ( 1.780 -10.088 -0.990) 10.291 33.686 ( 2.597 -34.226 17.853) 38.690 34.140 ( -7.538 -45.133 -39.186) 60.244 35.230 ( 15.581 -0.735 -4.299) 16.179 35.382 ( 18.864 0.450 6.554) 19.976 ======================= Grid point 127 (39/102) ======================= q-point: ( 0.18 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -13.303 9.532 -3.226) 16.681 1.048 ( -2.070 -14.998 6.849) 16.618 1.345 ( 1.209 -13.958 -4.647) 14.761 1.416 ( 15.909 -8.424 4.553) 18.568 1.527 ( 18.364 -6.337 4.516) 19.945 1.846 ( 8.867 -11.986 -3.758) 15.376 1.891 ( 12.123 -11.655 -13.598) 21.627 2.102 ( 8.984 -17.895 12.726) 23.725 2.163 ( 14.903 -10.129 3.193) 18.301 2.277 ( 8.965 -11.410 -4.348) 15.148 2.572 ( -1.363 -8.721 -0.668) 8.852 2.641 ( 6.631 -12.427 12.603) 18.901 2.697 ( 4.272 -13.497 -13.439) 19.520 2.766 ( 7.876 -16.465 -9.319) 20.493 3.032 ( -7.424 -3.360 10.012) 12.909 3.270 ( -3.886 -0.512 -5.704) 6.921 3.311 ( -2.801 2.756 3.070) 4.986 3.580 ( 0.131 4.384 -3.363) 5.527 3.651 ( -3.602 -1.802 1.657) 4.355 3.753 ( -4.341 7.412 -1.767) 8.770 3.785 ( -6.441 1.690 -1.898) 6.924 3.954 ( 0.738 8.776 6.628) 11.023 4.046 ( 5.710 3.832 -5.081) 8.550 4.154 ( -1.021 8.716 2.662) 9.171 4.283 ( 4.924 4.093 -3.941) 7.518 4.371 ( 2.269 9.143 3.169) 9.939 4.579 ( -2.275 10.426 2.730) 11.015 4.657 ( -3.144 15.540 1.463) 15.923 4.748 ( -8.947 17.908 1.321) 20.062 5.026 ( -1.172 4.166 -4.738) 6.417 5.113 ( -1.917 6.291 3.637) 7.515 5.344 ( 2.373 1.184 2.059) 3.358 5.549 ( -6.137 4.197 0.294) 7.441 5.626 ( 1.128 -0.158 -0.759) 1.369 5.731 ( -1.840 4.827 -1.511) 5.383 5.751 ( 4.806 -4.992 2.824) 7.483 6.049 ( -2.674 -4.756 -5.742) 7.920 6.263 ( -1.500 -2.162 -2.754) 3.809 6.354 ( -6.569 -9.267 2.980) 11.744 6.388 ( -4.457 -5.582 -2.491) 7.565 6.534 ( -1.651 1.587 0.619) 2.372 6.616 ( -6.317 -1.264 3.444) 7.305 6.663 ( -0.010 -7.195 3.005) 7.798 6.818 ( 2.867 -7.555 4.333) 9.169 6.873 ( 0.448 -3.719 -1.495) 4.033 6.938 ( 3.575 1.351 -4.057) 5.574 7.015 ( 2.988 2.079 -0.265) 3.650 7.047 ( 0.414 -2.232 -1.917) 2.971 7.185 ( 7.498 -4.052 3.507) 9.216 7.254 ( 3.385 -1.490 -1.079) 3.853 7.455 ( 0.914 -2.729 -2.681) 3.934 7.505 ( 3.776 0.325 7.922) 8.782 7.620 ( 0.502 -7.134 -0.248) 7.156 7.723 ( 3.160 -7.677 -8.664) 12.000 8.086 ( -8.910 13.179 -2.400) 16.089 8.276 ( 1.109 10.471 2.641) 10.856 8.906 ( -0.806 0.242 0.387) 0.926 8.982 ( 2.405 -1.669 -4.314) 5.214 9.596 ( -3.884 0.286 4.198) 5.726 9.644 ( -3.581 -0.986 -1.794) 4.125 10.176 ( -2.704 -1.239 -3.143) 4.328 10.209 ( 1.334 -1.916 4.212) 4.816 10.537 ( -2.702 -0.239 -4.031) 4.859 10.580 ( 1.451 -1.518 3.592) 4.161 11.993 ( 0.277 -0.142 1.560) 1.590 12.016 ( 0.226 -0.044 -1.329) 1.349 13.738 ( -0.721 -0.089 -0.038) 0.727 13.783 ( 1.050 0.098 -1.167) 1.573 13.974 ( 0.017 0.741 0.275) 0.790 14.002 ( 0.591 0.213 -1.286) 1.432 14.379 ( -3.654 6.571 -0.633) 7.545 14.504 ( -3.458 12.833 26.584) 29.721 14.546 ( 0.988 1.331 -4.644) 4.931 14.774 ( -4.892 4.632 -14.209) 15.726 15.409 ( -1.703 -0.132 0.601) 1.811 15.439 ( -2.992 -1.935 -0.065) 3.564 15.724 ( 1.268 -1.049 -1.867) 2.489 15.736 ( 3.132 -0.882 1.794) 3.716 16.063 ( 4.070 0.681 3.384) 5.337 16.115 ( 5.899 0.528 -2.575) 6.458 16.766 ( -1.270 7.297 3.890) 8.366 16.803 ( -2.792 5.507 -7.853) 9.990 17.518 ( -4.157 0.945 3.968) 5.824 17.610 ( -2.234 0.776 -1.230) 2.666 20.501 ( -0.109 4.616 15.908) 16.565 20.596 ( -5.039 5.370 -12.245) 14.289 21.588 ( -1.888 -3.843 2.783) 5.106 21.626 ( -3.542 -3.782 -3.928) 6.502 25.830 ( -11.047 31.521 39.473) 51.708 26.102 ( -23.530 34.324 -32.347) 52.708 28.135 ( -4.556 5.719 -1.590) 7.483 28.172 ( -2.756 6.991 1.418) 7.647 28.858 ( -4.037 4.699 -1.944) 6.492 28.879 ( -2.621 6.029 1.812) 6.820 29.296 ( -0.644 0.054 -0.007) 0.647 29.321 ( 0.294 0.154 -0.017) 0.332 31.821 ( -0.978 -7.334 0.540) 7.419 31.843 ( -1.774 -6.111 -0.588) 6.391 32.675 ( 4.857 2.833 0.140) 5.625 32.801 ( 10.711 1.751 -0.136) 10.854 32.848 ( 6.475 -0.185 0.225) 6.482 32.903 ( 8.247 -1.831 -0.362) 8.456 33.394 ( -0.411 -13.076 -0.208) 13.084 33.462 ( 2.432 -13.907 -0.425) 14.125 34.173 ( -2.874 -21.153 15.207) 26.210 34.474 ( -12.372 -17.140 -17.895) 27.696 35.388 ( 17.637 1.246 -7.923) 19.375 35.532 ( 16.391 3.057 7.809) 18.411 ======================= Grid point 128 (40/102) ======================= q-point: ( 0.27 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -3.945 -8.743 -10.682) 14.356 1.199 ( -4.755 -5.145 5.176) 8.711 1.472 ( 2.401 -3.376 -11.403) 12.132 1.741 ( 11.670 -10.938 6.762) 17.365 1.793 ( 4.721 -6.013 4.668) 8.957 1.955 ( -1.324 -4.701 2.127) 5.327 2.090 ( 3.197 -5.979 -4.808) 8.312 2.340 ( 7.833 -5.634 -0.596) 9.667 2.537 ( 9.519 -7.492 -2.979) 12.474 2.566 ( 9.367 -10.149 -0.277) 13.814 2.776 ( 8.302 -2.815 1.109) 8.836 2.812 ( -0.991 -4.927 -0.110) 5.027 2.889 ( 6.382 -10.744 4.489) 13.279 3.107 ( -1.466 -7.601 0.950) 7.799 3.148 ( 3.315 -7.956 -2.184) 8.892 3.248 ( -3.656 -3.311 -1.287) 5.098 3.268 ( -2.875 2.604 1.651) 4.216 3.444 ( 1.493 -2.396 2.567) 3.816 3.568 ( -8.407 2.261 -0.454) 8.717 3.689 ( 0.948 5.716 -4.495) 7.333 3.717 ( -2.666 0.024 2.927) 3.959 3.837 ( 2.568 4.901 -4.359) 7.043 4.036 ( 2.009 7.837 0.544) 8.108 4.085 ( 9.902 1.413 4.224) 10.857 4.146 ( 1.200 1.862 -2.888) 3.639 4.266 ( -1.485 8.053 4.461) 9.325 4.377 ( 3.425 8.802 -6.218) 11.307 4.544 ( -3.492 -2.401 -3.657) 5.597 4.625 ( 4.404 -3.280 5.336) 7.657 4.889 ( 1.662 10.633 1.337) 10.845 5.064 ( 0.734 -0.643 -0.979) 1.382 5.290 ( -7.401 4.562 1.510) 8.825 5.439 ( -4.907 -0.301 2.713) 5.615 5.608 ( -1.228 5.603 3.515) 6.728 5.698 ( -0.805 -6.543 -4.878) 8.201 5.851 ( 0.305 -1.659 1.260) 2.105 6.106 ( 0.064 -2.701 -2.511) 3.688 6.194 ( -5.032 2.861 -3.963) 7.015 6.378 ( -7.482 4.324 5.524) 10.257 6.419 ( -1.783 -1.429 -1.849) 2.939 6.466 ( -2.090 -4.637 -1.871) 5.419 6.625 ( 0.884 -0.718 -1.510) 1.892 6.781 ( -2.653 -7.273 1.274) 7.846 6.849 ( -0.303 2.638 -0.549) 2.712 6.948 ( 6.346 2.530 0.149) 6.834 6.997 ( 1.353 -5.614 2.153) 6.163 7.043 ( 4.795 0.912 -0.582) 4.916 7.088 ( -4.112 -6.586 -1.175) 7.853 7.300 ( 4.284 0.026 6.624) 7.888 7.312 ( 4.324 -0.599 -4.153) 6.025 7.496 ( 2.152 0.881 -2.715) 3.574 7.505 ( 6.330 0.972 8.925) 10.985 7.716 ( -4.435 -4.692 -3.173) 7.194 7.795 ( -5.713 8.716 -0.563) 10.436 7.829 ( -2.615 -3.341 -5.868) 7.241 8.130 ( 0.047 7.732 3.125) 8.340 8.900 ( -0.974 -0.462 1.380) 1.751 9.017 ( 1.550 -0.670 -3.879) 4.230 9.540 ( -4.349 1.516 3.576) 5.831 9.614 ( -3.393 0.375 -1.817) 3.867 10.164 ( -2.610 -0.816 -2.527) 3.723 10.254 ( 1.286 -1.175 5.301) 5.580 10.505 ( -2.979 0.050 -5.054) 5.867 10.612 ( 0.786 -0.650 2.769) 2.951 12.000 ( 0.374 -0.152 0.688) 0.798 12.015 ( 0.114 0.148 -0.370) 0.415 13.734 ( -0.352 -0.193 -0.713) 0.818 13.784 ( 0.754 0.630 -0.796) 1.264 13.963 ( -0.666 0.174 -1.632) 1.772 13.999 ( 0.085 0.379 -1.411) 1.464 14.226 ( -2.933 6.105 -6.055) 9.085 14.347 ( -0.264 7.310 20.188) 21.472 14.538 ( 0.728 0.279 -1.901) 2.054 14.704 ( -0.313 0.761 -8.177) 8.218 15.398 ( -2.221 -0.730 0.773) 2.463 15.446 ( -2.521 -1.983 -0.481) 3.243 15.754 ( 1.467 -1.047 -2.776) 3.310 15.784 ( 3.010 -0.930 2.568) 4.064 16.096 ( 3.881 0.346 3.138) 5.003 16.153 ( 3.707 0.051 -1.475) 3.990 16.671 ( -1.042 4.243 2.349) 4.960 16.688 ( -1.463 4.188 -4.773) 6.517 17.474 ( -3.582 0.373 2.171) 4.205 17.579 ( -1.795 0.610 -0.859) 2.081 20.461 ( 0.337 2.838 12.221) 12.551 20.462 ( -3.994 3.564 -11.579) 12.756 21.626 ( -2.378 -3.122 -2.697) 4.762 21.660 ( -1.101 -2.689 2.347) 3.736 25.399 ( -6.003 16.065 17.731) 24.668 25.471 ( -11.355 19.431 -16.591) 27.960 27.980 ( -4.759 6.524 -2.841) 8.560 28.017 ( -3.395 7.456 2.627) 8.603 28.765 ( -2.232 2.610 -1.116) 3.610 28.786 ( -1.608 2.968 1.080) 3.544 29.290 ( -0.509 0.006 -0.259) 0.571 29.319 ( 0.121 0.311 0.227) 0.404 31.921 ( -1.201 -4.683 -0.014) 4.834 31.922 ( -1.062 -5.478 -0.016) 5.580 32.686 ( 3.733 0.798 0.193) 3.823 32.871 ( 7.947 0.447 -0.168) 7.962 32.911 ( 5.963 -0.149 -0.057) 5.965 33.017 ( 7.946 -2.340 -0.068) 8.283 33.614 ( -0.478 -12.668 -0.786) 12.701 33.717 ( 2.055 -13.069 0.818) 13.255 34.432 ( -3.337 -11.956 9.386) 15.562 34.564 ( -9.070 -8.489 -9.807) 15.827 35.497 ( 12.279 1.337 -4.718) 13.222 35.607 ( 10.957 3.660 4.865) 12.534 ======================= Grid point 129 (41/102) ======================= q-point: ( 0.36 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -4.577 -6.171 2.229) 8.000 1.192 ( -3.194 -1.728 2.473) 4.394 1.498 ( -2.738 -1.480 -11.927) 12.327 1.778 ( -1.874 5.343 9.401) 10.975 1.951 ( 0.082 -4.438 -11.880) 12.682 2.033 ( 2.185 2.003 9.153) 9.621 2.119 ( -1.314 0.951 -1.013) 1.913 2.491 ( 6.323 -4.470 -2.431) 8.116 2.611 ( -2.264 2.906 0.777) 3.765 2.711 ( 6.756 -3.604 1.729) 7.850 2.765 ( -0.758 2.815 6.980) 7.565 2.877 ( 5.183 -1.140 -3.604) 6.415 3.091 ( 3.223 -3.092 -4.674) 6.465 3.123 ( 0.445 -2.419 1.215) 2.744 3.181 ( -0.790 -0.499 -0.807) 1.235 3.293 ( 5.149 -4.853 -0.964) 7.141 3.374 ( -6.164 -5.423 -3.750) 9.026 3.491 ( -4.031 -3.024 4.959) 7.070 3.561 ( 2.967 -2.746 1.560) 4.333 3.613 ( 1.383 4.969 3.162) 6.050 3.716 ( 2.353 -3.026 -0.460) 3.861 3.796 ( 4.324 3.052 -2.498) 5.852 3.967 ( -0.308 -0.024 -1.207) 1.246 4.136 ( 2.963 1.088 -0.183) 3.161 4.137 ( 4.578 0.641 9.587) 10.643 4.295 ( 3.851 4.565 -8.873) 10.695 4.364 ( 1.016 -8.564 -0.678) 8.651 4.657 ( 3.925 -7.242 0.042) 8.237 4.739 ( 1.112 6.983 1.166) 7.167 4.755 ( 8.100 -5.177 -1.561) 9.739 5.048 ( -8.037 4.747 -6.304) 11.264 5.173 ( 3.457 -0.943 4.859) 6.037 5.442 ( -5.494 -3.977 5.117) 8.496 5.529 ( -0.687 3.164 5.607) 6.474 5.803 ( -1.823 -5.931 -4.833) 7.865 5.869 ( 0.332 -2.324 0.076) 2.349 6.065 ( -4.115 2.260 -0.978) 4.796 6.133 ( -2.118 0.852 -2.452) 3.350 6.273 ( -3.198 2.514 -0.198) 4.073 6.401 ( -3.758 1.225 6.019) 7.201 6.490 ( 1.042 0.366 -9.496) 9.560 6.630 ( 0.476 0.197 0.703) 0.872 6.814 ( -1.271 0.061 1.417) 1.905 6.897 ( 0.602 -3.773 -0.699) 3.884 6.938 ( 3.978 1.080 3.485) 5.398 7.027 ( 2.389 2.344 -2.720) 4.313 7.096 ( 3.394 -1.336 2.216) 4.268 7.160 ( -5.283 -4.729 1.739) 7.300 7.240 ( 0.966 6.265 -1.624) 6.544 7.334 ( -2.593 -0.161 -0.601) 2.667 7.522 ( 2.076 1.026 -1.395) 2.703 7.545 ( 6.526 1.921 1.131) 6.897 7.660 ( -2.650 -2.961 3.002) 4.980 7.734 ( -4.421 -0.427 -1.523) 4.696 7.837 ( -2.528 0.229 -2.094) 3.290 8.028 ( 0.577 4.685 1.699) 5.017 8.905 ( -0.515 -0.752 1.659) 1.893 9.026 ( 0.628 0.218 -3.350) 3.416 9.483 ( -3.008 1.521 4.445) 5.579 9.575 ( -2.321 0.409 -2.690) 3.576 10.151 ( -2.022 -0.511 -2.027) 2.908 10.283 ( 1.331 -0.080 5.159) 5.329 10.473 ( -2.669 -0.172 -5.222) 5.866 10.627 ( 0.339 -0.238 1.919) 1.964 12.003 ( 0.197 0.202 -1.158) 1.192 12.016 ( 0.254 -0.096 1.508) 1.532 13.737 ( 0.040 -0.410 -1.501) 1.557 13.776 ( 0.474 0.842 -0.673) 1.178 13.941 ( -2.785 0.410 -5.495) 6.174 13.988 ( -0.080 0.577 -0.206) 0.618 14.128 ( 0.160 3.092 -2.557) 4.016 14.279 ( 0.770 3.916 16.267) 16.750 14.543 ( 0.842 -0.071 -0.929) 1.256 14.693 ( 0.482 -0.038 -6.099) 6.118 15.395 ( -1.850 -0.952 1.304) 2.455 15.458 ( -1.645 -1.805 -0.659) 2.529 15.773 ( 1.116 -0.096 -3.415) 3.594 15.829 ( 2.025 -1.179 2.862) 3.699 16.129 ( 2.913 -0.025 2.029) 3.550 16.180 ( 2.196 -0.055 -0.451) 2.242 16.580 ( -2.169 3.330 -7.105) 8.141 16.642 ( 0.499 1.768 5.664) 5.954 17.446 ( -2.352 -0.189 1.430) 2.759 17.553 ( -1.162 0.762 -0.845) 1.626 20.363 ( -2.849 2.739 -8.585) 9.451 20.443 ( 0.515 1.428 8.487) 8.622 21.650 ( -1.327 -2.160 -2.568) 3.609 21.692 ( -0.509 -1.607 2.383) 2.919 25.130 ( -5.633 9.887 -9.504) 14.826 25.184 ( -2.438 7.854 10.019) 12.962 27.836 ( -3.592 4.955 -3.045) 6.836 27.883 ( -2.390 5.071 2.742) 6.240 28.719 ( -1.006 1.110 -0.614) 1.619 28.742 ( -0.727 1.253 0.617) 1.575 29.286 ( -0.314 0.013 -0.423) 0.527 29.315 ( 0.005 0.283 0.383) 0.477 31.976 ( -0.822 -2.966 0.008) 3.078 31.988 ( -0.785 -3.233 -0.053) 3.327 32.712 ( 2.552 -0.079 0.241) 2.565 32.931 ( 4.561 -0.522 -0.086) 4.592 32.959 ( 4.651 0.411 -0.199) 4.674 33.120 ( 5.850 -1.884 -0.012) 6.146 33.795 ( -0.447 -8.855 -1.124) 8.938 33.933 ( 1.929 -9.675 1.767) 10.023 34.530 ( -4.983 -3.194 1.278) 6.055 34.617 ( -3.662 -6.511 -1.962) 7.723 35.567 ( 7.344 0.651 -2.240) 7.705 35.637 ( 6.331 2.587 2.362) 7.236 ======================= Grid point 130 (42/102) ======================= q-point: ( 0.45 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -9.607 7.820 4.638) 13.227 1.278 ( 1.320 -5.461 -0.971) 5.702 1.522 ( -0.460 -7.674 -4.313) 8.815 1.643 ( -2.736 6.637 8.556) 11.169 1.800 ( -2.962 14.913 4.701) 15.914 2.044 ( -3.260 -5.817 -14.221) 15.707 2.086 ( 2.613 4.174 -1.768) 5.233 2.542 ( 1.757 0.268 3.615) 4.028 2.624 ( 1.903 1.502 1.317) 2.759 2.781 ( 0.340 -5.460 4.635) 7.170 2.796 ( 2.610 -1.303 3.008) 4.191 2.926 ( 1.527 -0.488 -5.201) 5.443 3.092 ( -0.990 1.138 -2.180) 2.650 3.185 ( 1.712 0.279 0.326) 1.765 3.204 ( 0.079 -2.939 -1.404) 3.258 3.335 ( -5.169 -2.376 -0.333) 5.698 3.392 ( 0.794 -1.171 -2.294) 2.695 3.440 ( -1.424 3.705 1.708) 4.322 3.562 ( 0.117 0.033 4.405) 4.407 3.686 ( 6.408 0.727 -1.223) 6.565 3.781 ( 0.982 -3.805 -1.430) 4.181 3.885 ( 1.948 -5.379 -0.067) 5.721 4.017 ( 3.587 -4.272 -0.177) 5.581 4.097 ( -2.886 2.113 2.016) 4.106 4.141 ( -0.047 5.289 3.049) 6.105 4.304 ( 3.557 -1.316 -1.259) 3.996 4.464 ( 2.815 -2.770 -2.633) 4.747 4.631 ( -1.103 3.426 -0.260) 3.609 4.687 ( -0.653 0.994 0.332) 1.235 4.848 ( -5.381 5.046 -0.726) 7.412 5.020 ( 4.164 -6.870 -5.072) 9.500 5.271 ( 4.229 -1.852 3.727) 5.933 5.483 ( -1.234 -4.792 0.488) 4.972 5.507 ( 0.600 -0.072 5.548) 5.581 5.800 ( -1.180 2.773 -6.406) 7.079 5.914 ( -2.088 -1.875 2.356) 3.664 6.083 ( -0.939 0.514 -7.387) 7.465 6.089 ( -0.890 -5.510 4.485) 7.160 6.255 ( 0.716 -0.375 6.025) 6.079 6.293 ( -1.333 6.943 9.160) 11.571 6.486 ( 0.512 -0.125 -12.009) 12.021 6.646 ( 0.852 -1.452 1.207) 2.071 6.781 ( 0.685 3.042 0.223) 3.126 6.899 ( -5.065 -0.556 -6.955) 8.622 6.966 ( -0.830 -0.280 1.291) 1.560 7.001 ( 1.198 3.462 -2.327) 4.340 7.099 ( 0.248 0.783 2.066) 2.223 7.170 ( -3.951 -3.036 4.308) 6.587 7.238 ( 8.129 -0.158 0.964) 8.187 7.312 ( -0.718 0.065 0.707) 1.010 7.494 ( -2.984 0.364 -4.411) 5.338 7.599 ( 4.838 -0.476 0.506) 4.887 7.669 ( -4.921 1.467 -1.651) 5.394 7.723 ( 1.499 -1.867 4.204) 4.838 7.792 ( -2.069 1.215 -0.465) 2.444 7.989 ( 1.076 1.249 0.572) 1.745 8.916 ( -0.069 -0.486 1.516) 1.593 9.019 ( 0.064 0.356 -2.730) 2.754 9.448 ( -1.218 0.670 3.817) 4.062 9.554 ( -0.620 0.257 -1.860) 1.977 10.141 ( -1.141 -0.478 -1.914) 2.279 10.296 ( 1.789 0.874 4.910) 5.298 10.452 ( -2.186 -0.839 -5.316) 5.809 10.633 ( 0.284 -0.055 1.445) 1.474 11.997 ( -0.080 0.369 -0.739) 0.830 12.024 ( 0.387 -0.181 1.163) 1.239 13.742 ( 0.086 -0.191 -2.908) 2.916 13.767 ( 0.386 0.350 -0.353) 0.629 13.891 ( -2.991 1.029 -3.913) 5.032 13.982 ( -0.159 0.010 -0.023) 0.161 14.103 ( 0.802 0.935 0.280) 1.264 14.263 ( 0.900 0.726 11.863) 11.919 14.552 ( 0.876 -0.094 -0.708) 1.130 14.694 ( 0.538 -0.219 -5.695) 5.724 15.395 ( -1.090 -0.366 1.881) 2.205 15.471 ( -0.498 -0.817 -0.354) 1.021 15.770 ( 0.186 0.671 -2.904) 2.986 15.865 ( 0.676 -1.106 2.093) 2.462 16.153 ( 1.310 -0.189 0.838) 1.566 16.192 ( 0.870 0.472 0.498) 1.108 16.511 ( -1.471 1.786 -4.931) 5.446 16.642 ( 0.792 -0.334 3.688) 3.787 17.439 ( -0.953 -0.592 1.154) 1.610 17.531 ( -0.299 0.805 -0.813) 1.183 20.294 ( -1.715 1.899 -4.731) 5.379 20.447 ( 0.850 -0.348 4.507) 4.599 21.663 ( -0.491 -0.469 -1.033) 1.236 21.711 ( -0.074 -0.825 0.939) 1.252 24.973 ( -2.423 3.723 -4.482) 6.310 25.105 ( 0.159 1.573 4.882) 5.131 27.747 ( -1.624 2.087 -2.022) 3.329 27.814 ( -0.572 1.514 1.737) 2.374 28.701 ( -0.262 0.330 -0.412) 0.590 28.725 ( -0.224 0.313 0.431) 0.578 29.283 ( -0.073 0.006 -0.474) 0.480 29.311 ( -0.044 0.112 0.431) 0.448 32.006 ( -0.263 -1.135 0.221) 1.186 32.018 ( -0.329 -0.935 -0.278) 1.030 32.731 ( 0.926 -0.131 0.257) 0.970 32.970 ( 1.175 -0.771 -0.028) 1.406 32.981 ( 2.069 0.698 -0.233) 2.196 33.181 ( 2.167 -0.718 -0.010) 2.282 33.893 ( -0.480 -3.147 -0.971) 3.328 34.072 ( 1.626 -4.022 1.930) 4.749 34.507 ( -3.095 0.117 -1.430) 3.411 34.677 ( -0.638 -2.472 0.497) 2.601 35.605 ( 2.534 0.255 -0.907) 2.703 35.648 ( 2.043 0.797 0.957) 2.392 ======================= Grid point 131 (43/102) ======================= q-point: (-0.45 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 11.433 -11.030 1.889) 15.998 1.323 ( -0.669 -1.190 -6.013) 6.166 1.457 ( -3.014 12.151 4.377) 13.262 1.678 ( 2.378 -2.370 7.489) 8.207 1.785 ( 3.887 -15.690 2.436) 16.347 1.944 ( 2.227 9.436 -7.440) 12.220 2.179 ( -0.443 -9.633 -8.606) 12.925 2.522 ( 0.285 4.576 9.623) 10.659 2.591 ( -2.512 0.887 -1.786) 3.207 2.801 ( -1.336 1.929 2.353) 3.323 2.825 ( -1.116 2.452 2.950) 3.995 2.927 ( -0.086 -0.240 -6.674) 6.679 3.060 ( -0.386 1.375 1.797) 2.295 3.178 ( -0.112 -0.361 0.538) 0.657 3.252 ( 0.323 -3.030 -2.798) 4.137 3.306 ( -6.672 -0.615 -2.233) 7.063 3.405 ( 2.486 1.027 -0.806) 2.808 3.464 ( 2.479 -2.588 -1.597) 3.923 3.564 ( -1.487 -0.225 5.287) 5.497 3.662 ( 1.108 4.846 0.407) 4.987 3.797 ( -1.284 2.016 -2.486) 3.449 3.882 ( -4.425 2.444 -0.459) 5.075 3.974 ( -3.528 6.881 4.936) 9.174 4.075 ( 0.710 -0.498 0.697) 1.113 4.170 ( 1.065 -4.175 1.421) 4.537 4.327 ( -1.979 -0.747 -2.430) 3.221 4.484 ( -1.032 0.641 -3.181) 3.405 4.637 ( 0.610 -3.492 -1.664) 3.916 4.706 ( 0.475 -1.715 -1.548) 2.358 4.793 ( 3.156 -0.113 4.851) 5.788 4.980 ( -7.615 5.653 -2.616) 9.838 5.285 ( -1.405 1.931 2.137) 3.205 5.529 ( 1.911 -0.354 4.369) 4.781 5.559 ( 3.729 0.223 -4.493) 5.843 5.769 ( 0.328 -2.447 -5.702) 6.213 5.890 ( -0.924 4.051 7.534) 8.604 6.020 ( 1.978 4.399 -4.104) 6.333 6.120 ( -0.076 5.961 2.078) 6.314 6.236 ( -2.198 -4.492 10.399) 11.539 6.352 ( 1.070 -5.888 -2.030) 6.319 6.489 ( 3.867 -0.455 -8.474) 9.325 6.693 ( 0.031 3.295 -1.707) 3.711 6.721 ( 1.655 -2.273 2.210) 3.576 6.886 ( -4.083 -4.484 -4.486) 7.543 6.946 ( -1.682 1.595 0.893) 2.484 6.969 ( 0.412 0.231 2.078) 2.131 7.116 ( 0.524 -1.230 1.275) 1.847 7.173 ( -2.107 -0.416 1.003) 2.370 7.302 ( 4.635 1.990 -0.670) 5.089 7.322 ( -0.153 -0.778 -0.165) 0.810 7.458 ( 1.853 0.062 -2.748) 3.315 7.596 ( -5.680 0.237 0.864) 5.750 7.648 ( 1.794 -0.174 0.478) 1.865 7.755 ( 0.607 -1.225 2.630) 2.965 7.774 ( 0.899 0.944 -0.827) 1.544 8.001 ( 1.123 -1.410 -0.192) 1.813 8.920 ( 0.106 0.277 1.425) 1.455 9.013 ( -0.068 -0.121 -2.530) 2.534 9.452 ( 0.829 -0.908 3.818) 4.011 9.546 ( 0.875 0.707 -1.612) 1.965 10.142 ( -0.162 -0.553 -1.950) 2.033 10.303 ( 2.678 1.332 4.792) 5.649 10.447 ( -1.896 -1.409 -5.218) 5.727 10.638 ( 0.466 0.085 1.059) 1.160 11.989 ( -0.239 0.336 0.045) 0.414 12.031 ( 0.341 -0.089 0.466) 0.584 13.734 ( 0.041 0.610 -2.840) 2.905 13.775 ( 0.413 -0.730 -0.902) 1.231 13.854 ( -1.631 0.422 0.027) 1.685 13.983 ( -0.603 -0.439 -0.038) 0.747 14.095 ( -0.278 0.577 1.121) 1.291 14.302 ( 0.787 -2.920 8.210) 8.749 14.561 ( 0.956 -0.188 -1.272) 1.602 14.697 ( 0.649 -0.390 -6.223) 6.269 15.389 ( -0.402 0.555 2.309) 2.408 15.471 ( 0.818 1.114 -0.259) 1.406 15.753 ( -0.912 0.478 -1.364) 1.709 15.879 ( -0.872 -0.320 0.745) 1.190 16.161 ( -0.583 -0.346 0.226) 0.715 16.179 ( -0.335 1.427 1.389) 2.019 16.484 ( -0.572 -0.237 -2.079) 2.170 16.677 ( 1.101 -2.461 0.299) 2.713 17.449 ( 0.304 -0.650 0.728) 1.022 17.520 ( 0.773 0.539 -0.304) 0.990 20.255 ( -0.665 1.048 -0.984) 1.584 20.484 ( 1.371 -2.438 0.906) 2.940 21.650 ( -0.055 1.642 0.038) 1.643 21.723 ( 0.606 -0.240 -0.063) 0.655 24.937 ( -0.163 -1.070 -0.844) 1.373 25.143 ( 2.623 -4.414 1.056) 5.242 27.733 ( 0.587 -1.172 -0.669) 1.471 27.827 ( 1.453 -2.273 0.533) 2.750 28.700 ( 0.318 -0.174 -0.283) 0.460 28.727 ( 0.164 -0.468 0.302) 0.581 29.283 ( 0.179 -0.012 -0.475) 0.508 29.311 ( -0.059 -0.109 0.433) 0.451 32.010 ( 0.370 0.820 0.197) 0.921 32.014 ( 0.215 1.258 -0.243) 1.299 32.732 ( -0.914 0.115 0.225) 0.948 32.971 ( -1.168 0.752 -0.085) 1.392 32.980 ( -2.062 -0.646 -0.145) 2.166 33.181 ( -2.165 0.718 -0.009) 2.281 33.887 ( -0.580 3.180 -0.479) 3.268 34.088 ( 0.334 3.624 0.885) 3.746 34.488 ( 0.949 0.888 -0.140) 1.308 34.687 ( 1.782 1.902 -0.184) 2.612 35.601 ( -2.199 0.365 -0.450) 2.274 35.654 ( -2.289 -1.531 0.422) 2.786 ======================= Grid point 132 (44/102) ======================= q-point: (-0.36 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 4.944 -2.334 -9.954) 11.356 1.215 ( 0.810 9.596 5.322) 11.003 1.356 ( -2.308 -1.212 -3.842) 4.643 1.660 ( 3.178 11.707 12.232) 17.228 1.913 ( 4.302 -3.303 -4.813) 7.251 2.062 ( 1.925 -9.385 1.559) 9.706 2.313 ( -1.338 -5.470 -11.747) 13.027 2.431 ( -4.542 3.647 5.359) 7.915 2.573 ( 0.270 -0.194 3.623) 3.638 2.710 ( -3.290 6.218 1.477) 7.188 2.748 ( -4.961 2.183 3.048) 6.218 2.920 ( -2.251 -0.921 -5.848) 6.333 3.036 ( -0.911 1.455 2.638) 3.147 3.179 ( 1.159 0.955 -2.170) 2.639 3.209 ( -6.930 6.846 3.739) 10.434 3.289 ( -2.347 -1.907 -10.126) 10.568 3.348 ( 2.890 4.793 -0.869) 5.664 3.515 ( -1.794 -2.421 5.971) 6.688 3.567 ( 4.196 2.485 -0.922) 4.963 3.590 ( 0.305 3.557 4.216) 5.525 3.737 ( -4.146 0.821 -1.281) 4.417 3.777 ( -4.291 -0.322 -0.474) 4.329 3.968 ( -0.521 -5.488 0.723) 5.560 4.109 ( 0.122 0.097 0.554) 0.575 4.151 ( -5.544 -1.312 4.129) 7.036 4.310 ( 0.282 1.058 -6.738) 6.827 4.409 ( -5.596 7.713 -4.206) 10.417 4.562 ( -8.578 6.997 5.790) 12.492 4.733 ( -1.334 -5.922 1.450) 6.241 4.804 ( 0.008 0.586 -3.558) 3.605 4.990 ( 4.990 -5.172 -0.663) 7.218 5.218 ( -3.678 0.735 0.415) 3.774 5.531 ( 3.497 3.115 0.465) 4.706 5.596 ( 7.207 -0.530 -1.611) 7.404 5.735 ( -2.047 6.649 4.204) 8.129 5.892 ( -1.500 7.656 -2.321) 8.140 5.914 ( 4.392 -5.080 3.575) 7.608 6.125 ( 0.921 -2.585 -0.698) 2.832 6.273 ( 2.937 -0.175 6.969) 7.565 6.406 ( 3.318 -0.641 -7.582) 8.301 6.532 ( 0.020 1.570 -4.366) 4.640 6.668 ( -0.913 -4.111 -2.955) 5.144 6.793 ( 2.746 0.032 5.462) 6.113 6.894 ( 2.227 3.123 -1.500) 4.118 6.937 ( -6.520 -3.824 2.623) 8.001 6.993 ( 1.021 -2.512 0.226) 2.721 7.097 ( -6.485 1.539 2.268) 7.041 7.152 ( -0.092 0.500 2.440) 2.493 7.259 ( 2.065 3.423 -5.655) 6.925 7.386 ( 2.639 -4.439 -1.560) 5.395 7.502 ( 0.251 1.607 1.010) 1.915 7.555 ( -0.145 -2.819 -1.309) 3.111 7.655 ( -2.208 -0.497 3.611) 4.261 7.749 ( -0.598 0.780 -2.970) 3.128 7.793 ( 3.253 0.404 1.650) 3.670 8.059 ( 2.235 -3.630 -0.545) 4.298 8.915 ( 0.473 0.804 1.478) 1.748 9.013 ( -0.248 -0.311 -2.972) 2.999 9.491 ( 1.858 -0.706 5.577) 5.921 9.551 ( 2.927 -0.140 -2.682) 3.973 10.150 ( 0.571 -0.285 -1.785) 1.895 10.316 ( 3.828 1.331 4.176) 5.820 10.447 ( -2.151 -1.368 -4.585) 5.246 10.642 ( 0.612 0.153 0.582) 0.859 11.982 ( -0.273 0.213 0.743) 0.820 12.034 ( 0.237 0.049 -0.168) 0.295 13.723 ( 0.581 0.605 -1.601) 1.807 13.791 ( 0.115 -0.856 -1.647) 1.860 13.847 ( -0.044 -0.293 3.315) 3.328 13.985 ( -1.044 -0.702 0.211) 1.276 14.086 ( -0.931 -0.191 1.970) 2.187 14.380 ( -0.419 -4.432 6.369) 7.770 14.578 ( 0.814 -1.233 -2.430) 2.844 14.709 ( 1.407 -1.158 -8.459) 8.653 15.377 ( 0.292 0.922 2.640) 2.811 15.451 ( 1.964 2.472 -0.190) 3.163 15.734 ( -1.629 0.297 0.291) 1.681 15.861 ( -2.214 0.641 -0.353) 2.332 16.142 ( -0.843 2.192 3.067) 3.863 16.157 ( -2.660 -0.865 -0.902) 2.939 16.505 ( 0.209 -2.647 0.387) 2.683 16.742 ( 1.139 -3.915 -3.497) 5.371 17.467 ( 1.429 -0.477 0.387) 1.556 17.527 ( 1.824 0.098 0.530) 1.902 20.244 ( 0.437 0.194 2.821) 2.861 20.553 ( 1.675 -3.971 -2.376) 4.922 21.610 ( 0.562 3.199 0.841) 3.355 21.729 ( 1.332 0.644 -0.838) 1.700 25.000 ( 1.930 -5.269 3.565) 6.648 25.322 ( 6.268 -12.691 -3.623) 14.611 27.795 ( 2.696 -4.203 0.705) 5.043 27.917 ( 3.129 -5.581 -0.520) 6.420 28.713 ( 0.995 -0.836 -0.117) 1.305 28.747 ( 0.738 -1.525 0.121) 1.698 29.286 ( 0.387 -0.019 -0.415) 0.567 29.315 ( -0.071 -0.280 0.376) 0.474 31.978 ( 0.741 3.355 -0.188) 3.441 31.985 ( 0.859 2.839 0.167) 2.971 32.713 ( -2.523 0.080 0.154) 2.529 32.932 ( -4.549 0.539 -0.152) 4.584 32.957 ( -4.670 -0.391 -0.028) 4.687 33.120 ( -5.849 1.887 -0.009) 6.146 33.777 ( -0.656 8.768 0.197) 8.795 33.972 ( -0.130 9.570 -1.012) 9.624 34.469 ( 2.332 4.516 3.774) 6.330 34.652 ( 5.274 5.634 -2.677) 8.168 35.553 ( -6.520 0.371 -0.656) 6.564 35.659 ( -6.777 -4.009 0.329) 7.881 ======================= Grid point 133 (45/102) ======================= q-point: (-0.27 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -11.252 11.191 -23.171) 28.085 1.176 ( 5.018 4.972 17.820) 19.169 1.313 ( -1.742 4.262 -2.765) 5.370 1.485 ( 0.868 12.682 13.280) 18.383 1.925 ( -0.821 5.250 -5.072) 7.346 2.066 ( -7.775 3.323 -3.023) 8.980 2.264 ( -7.636 5.012 -15.495) 17.987 2.337 ( -4.519 4.397 3.337) 7.134 2.459 ( -3.615 10.900 2.688) 11.794 2.564 ( -7.034 8.520 0.275) 11.052 2.678 ( -6.857 4.217 5.238) 9.604 2.767 ( -8.129 11.610 1.948) 14.306 2.986 ( -4.749 11.067 6.774) 13.817 3.099 ( -4.523 -1.486 -5.228) 7.071 3.181 ( 5.211 2.226 0.153) 5.669 3.220 ( -2.278 8.082 -0.919) 8.447 3.295 ( 4.245 -2.018 -6.151) 7.742 3.497 ( -1.935 2.038 2.867) 4.015 3.592 ( -1.031 -5.594 5.941) 8.225 3.598 ( 7.380 0.481 -3.344) 8.116 3.723 ( 0.126 -2.500 -1.339) 2.839 3.868 ( 4.450 -7.316 -5.021) 9.927 4.018 ( -6.738 -3.909 2.263) 8.112 4.073 ( -3.306 -1.098 0.391) 3.505 4.180 ( -11.198 -5.154 -1.338) 12.400 4.264 ( 2.546 -5.150 2.805) 6.394 4.370 ( 0.840 -8.957 -3.985) 9.839 4.498 ( 1.544 -0.989 1.166) 2.173 4.691 ( 0.112 6.341 -1.511) 6.520 4.867 ( -3.299 -7.867 3.030) 9.053 5.063 ( -0.051 -2.442 -1.147) 2.698 5.284 ( 4.511 -5.903 2.152) 7.735 5.513 ( 4.160 3.148 0.200) 5.221 5.596 ( 0.469 6.432 -0.951) 6.519 5.677 ( -0.762 -1.742 -0.131) 1.906 5.818 ( 1.151 -0.762 4.106) 4.332 6.039 ( 5.846 -0.915 0.034) 5.917 6.178 ( 4.546 -2.516 -2.476) 5.755 6.331 ( 5.738 -0.309 5.779) 8.150 6.452 ( -0.029 6.213 1.814) 6.473 6.475 ( 3.036 -3.985 -5.061) 7.122 6.658 ( 0.568 5.007 -4.758) 6.931 6.801 ( 2.084 4.124 3.540) 5.821 6.851 ( -1.540 -1.133 -4.038) 4.467 6.932 ( -5.963 -1.470 1.765) 6.390 6.956 ( -5.249 6.125 3.359) 8.738 7.051 ( -2.779 -2.225 -0.478) 3.592 7.120 ( 2.703 5.906 -0.918) 6.560 7.252 ( -1.409 -1.523 0.605) 2.162 7.419 ( -8.948 0.643 -2.254) 9.249 7.442 ( 0.897 1.441 2.743) 3.226 7.604 ( 2.866 6.375 0.649) 7.020 7.686 ( 0.529 -7.754 1.470) 7.910 7.757 ( -3.849 -4.056 -5.571) 7.893 7.821 ( 5.588 -1.721 -1.048) 5.941 8.166 ( 4.107 -5.576 0.188) 6.928 8.908 ( 1.050 0.971 1.280) 1.919 9.008 ( -0.634 0.141 -3.959) 4.012 9.511 ( 2.860 1.017 5.487) 6.271 9.606 ( 4.157 -1.810 -1.017) 4.647 10.155 ( 0.934 0.353 -1.185) 1.549 10.332 ( 3.847 1.849 1.272) 4.454 10.440 ( -2.179 -0.811 -1.898) 3.002 10.645 ( 0.371 0.100 -0.173) 0.421 11.979 ( -0.160 0.100 1.226) 1.241 12.033 ( 0.112 0.158 -0.648) 0.677 13.721 ( 1.259 0.492 -0.488) 1.437 13.799 ( -0.539 -0.577 -2.176) 2.315 13.873 ( 2.407 -0.828 6.418) 6.904 13.988 ( -1.319 -0.893 0.311) 1.622 14.095 ( -0.577 -1.495 4.892) 5.148 14.441 ( -1.296 -2.724 5.813) 6.549 14.607 ( -0.846 -1.884 -1.502) 2.554 14.763 ( 3.066 -4.936 -13.425) 14.628 15.374 ( 1.209 0.560 2.702) 3.012 15.431 ( 2.563 2.200 0.472) 3.410 15.712 ( -1.692 0.573 1.100) 2.098 15.820 ( -2.929 1.210 -0.808) 3.271 16.099 ( -1.183 2.077 3.476) 4.219 16.141 ( -4.644 -1.537 -1.389) 5.085 16.583 ( 1.123 -5.761 1.753) 6.126 16.816 ( 0.836 -4.275 -6.972) 8.221 17.493 ( 2.269 -0.467 1.657) 2.848 17.551 ( 2.759 -0.280 0.373) 2.798 20.265 ( 1.755 -0.826 7.386) 7.637 20.636 ( 1.467 -4.349 -5.256) 6.978 21.562 ( 1.700 3.752 1.905) 4.539 21.723 ( 2.074 1.818 -2.195) 3.525 25.163 ( 4.717 -9.466 11.601) 15.699 25.717 ( 12.229 -25.739 -11.153) 30.602 27.922 ( 4.398 -6.414 1.805) 7.983 28.061 ( 3.668 -7.180 -1.090) 8.136 28.751 ( 2.071 -2.118 0.158) 2.966 28.799 ( 1.774 -3.432 -0.182) 3.867 29.290 ( 0.509 -0.015 -0.229) 0.558 29.319 ( -0.115 -0.301 0.198) 0.378 31.914 ( 1.026 5.241 0.258) 5.347 31.929 ( 1.238 4.907 -0.267) 5.068 32.688 ( -3.680 -0.790 0.064) 3.765 32.870 ( -8.012 -0.350 -0.151) 8.021 32.909 ( -5.923 0.055 0.096) 5.924 33.016 ( -7.944 2.376 -0.044) 8.292 33.589 ( -0.588 12.233 0.757) 12.271 33.771 ( -0.415 13.319 -2.921) 13.642 34.360 ( 1.458 11.829 9.965) 15.536 34.588 ( 9.238 9.550 -6.946) 14.993 35.465 ( -9.985 0.657 -1.013) 10.058 35.666 ( -11.846 -7.090 -0.653) 13.821 ======================= Grid point 134 (46/102) ======================= q-point: (-0.18 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -0.989 -10.547 4.577) 11.540 1.056 ( -1.758 14.803 14.581) 20.853 1.205 ( 5.213 8.629 2.609) 10.413 1.242 ( -10.815 11.925 7.995) 17.975 1.718 ( -6.249 14.150 -7.890) 17.364 1.840 ( -17.024 11.179 -11.100) 23.195 1.975 ( -12.859 13.246 -11.305) 21.647 2.114 ( -17.134 8.993 9.784) 21.684 2.164 ( -17.030 21.770 4.558) 28.012 2.314 ( 4.085 12.516 -2.734) 13.447 2.464 ( -10.644 13.440 9.513) 19.607 2.548 ( 2.717 5.347 0.737) 6.043 2.648 ( -4.210 10.234 -3.628) 11.646 2.916 ( -3.759 12.154 -8.949) 15.554 3.164 ( 2.384 1.048 2.620) 3.694 3.229 ( 1.939 -1.683 -6.864) 7.329 3.417 ( 3.447 -1.091 -6.396) 7.347 3.478 ( -0.800 -2.243 6.181) 6.624 3.692 ( 5.781 -1.609 -0.688) 6.040 3.716 ( 5.347 -5.427 6.553) 10.049 3.756 ( 0.594 0.581 -6.929) 6.979 3.940 ( -2.170 0.307 4.961) 5.424 4.048 ( 3.047 -8.686 -3.108) 9.716 4.132 ( -2.366 -5.110 3.172) 6.464 4.247 ( -7.743 -8.410 1.043) 11.479 4.389 ( -3.462 -9.122 1.171) 9.827 4.618 ( 5.155 -14.894 -0.257) 15.763 4.645 ( 0.633 -11.917 2.944) 12.292 4.769 ( 12.231 -15.033 -0.024) 19.380 4.968 ( -0.004 -5.616 -0.222) 5.620 5.128 ( -0.542 -4.667 1.839) 5.045 5.373 ( -0.521 0.534 0.640) 0.983 5.506 ( -1.298 0.235 2.650) 2.960 5.559 ( 4.306 -3.860 1.256) 5.918 5.725 ( 0.843 -4.110 0.265) 4.204 5.848 ( -2.419 -1.112 -2.144) 3.418 6.039 ( 7.780 6.398 -5.846) 11.646 6.250 ( -0.798 1.756 -2.926) 3.504 6.345 ( 6.168 5.213 3.000) 8.615 6.370 ( 6.207 5.831 2.253) 8.810 6.527 ( 0.329 0.611 -1.233) 1.415 6.606 ( 4.046 3.823 1.889) 5.878 6.727 ( 0.901 4.429 4.153) 6.138 6.766 ( -5.072 7.048 5.386) 10.218 6.845 ( 2.096 7.838 -2.196) 8.406 6.911 ( -1.636 -3.392 -2.227) 4.376 7.017 ( -8.009 1.079 -0.076) 8.082 7.052 ( -0.366 0.565 -0.551) 0.870 7.249 ( -2.672 0.931 -0.639) 2.901 7.279 ( -9.529 4.719 -1.879) 10.799 7.412 ( -2.918 0.491 1.606) 3.366 7.503 ( 3.035 8.030 1.286) 8.681 7.637 ( -1.707 7.673 1.503) 8.003 7.835 ( -5.251 -5.819 -16.517) 18.283 8.027 ( 6.160 -12.813 4.109) 14.798 8.326 ( 3.736 -9.174 -1.865) 10.080 8.904 ( 1.321 1.009 0.620) 1.774 8.983 ( -1.251 1.201 -5.130) 5.415 9.538 ( 4.159 0.633 6.767) 7.968 9.663 ( 3.488 -0.495 -1.012) 3.665 10.153 ( 0.970 0.823 -0.319) 1.312 10.306 ( 0.155 3.453 -4.057) 5.330 10.441 ( 0.413 -0.153 3.551) 3.578 10.641 ( -0.513 0.359 -1.401) 1.535 11.978 ( 0.026 0.135 1.408) 1.415 12.029 ( -0.101 0.173 -1.040) 1.059 13.728 ( 1.470 0.262 0.270) 1.517 13.794 ( -0.925 0.067 -2.090) 2.287 13.931 ( 4.124 -1.050 6.165) 7.491 13.992 ( -1.165 -0.971 0.143) 1.523 14.164 ( 4.412 -4.997 15.767) 17.118 14.471 ( -0.822 -1.578 5.094) 5.396 14.616 ( -1.120 -0.734 0.200) 1.354 14.906 ( 3.132 -9.819 -13.498) 16.983 15.387 ( 2.035 0.203 2.123) 2.948 15.427 ( 2.277 1.196 0.939) 2.738 15.688 ( -1.236 0.677 1.195) 1.848 15.769 ( -2.876 1.323 -0.963) 3.309 16.060 ( -1.583 1.452 2.872) 3.587 16.120 ( -7.141 -2.771 -2.195) 7.968 16.731 ( 2.409 -9.516 0.899) 9.857 16.884 ( 0.701 -4.174 -8.338) 9.351 17.529 ( 2.338 -0.826 4.812) 5.413 17.590 ( 3.619 -0.805 -1.070) 3.859 20.332 ( 3.783 -3.174 13.906) 14.757 20.712 ( 1.084 -4.017 -6.469) 7.692 21.526 ( 3.021 3.197 2.623) 5.121 21.698 ( 2.883 3.526 -4.541) 6.432 25.465 ( 11.539 -16.285 30.178) 36.181 26.439 ( 20.007 -44.655 -21.124) 53.297 28.086 ( 5.098 -6.738 1.926) 8.666 28.204 ( 2.526 -5.758 -0.845) 6.344 28.834 ( 3.886 -4.631 0.393) 6.058 28.901 ( 2.810 -5.969 -0.421) 6.611 29.295 ( 0.526 -0.036 0.067) 0.531 29.322 ( -0.171 -0.171 -0.086) 0.256 31.823 ( 1.275 6.652 0.536) 6.795 31.842 ( 1.453 6.852 -0.553) 7.026 32.678 ( -4.718 -2.870 -0.066) 5.523 32.796 ( -10.950 -1.376 0.230) 11.038 32.851 ( -6.273 -0.173 0.051) 6.275 32.901 ( -8.276 1.853 -0.262) 8.485 33.372 ( -0.388 12.233 0.830) 12.268 33.514 ( -1.685 14.823 -3.958) 15.435 34.099 ( 0.047 22.367 17.172) 28.199 34.465 ( 13.433 16.949 -13.706) 25.604 35.347 ( -10.909 1.232 -1.659) 11.104 35.666 ( -20.076 -10.197 -4.861) 23.036 ======================= Grid point 135 (47/102) ======================= q-point: (-0.09 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -2.081 7.700 19.574) 21.137 0.733 ( 5.386 12.728 24.889) 28.469 0.958 ( -4.401 10.607 -4.877) 12.477 1.098 ( -6.878 12.149 14.568) 20.177 1.179 ( -20.149 24.539 9.200) 33.058 1.442 ( -7.149 12.724 -20.729) 25.351 1.643 ( -15.495 12.334 2.569) 19.970 1.695 ( -12.220 5.718 -0.660) 13.508 1.854 ( -10.826 3.626 0.706) 11.439 2.176 ( 5.663 8.406 -10.581) 14.652 2.243 ( -2.456 9.120 12.309) 15.514 2.510 ( -2.255 2.525 -13.852) 14.260 2.552 ( 1.065 -1.372 -2.416) 2.976 2.683 ( -3.549 9.215 -12.148) 15.655 3.169 ( -2.186 -0.112 7.198) 7.523 3.295 ( 6.174 -2.299 -7.062) 9.658 3.460 ( 3.435 -2.283 -4.714) 6.264 3.486 ( -1.649 -1.637 3.419) 4.133 3.662 ( -0.175 2.649 7.501) 7.957 3.772 ( 7.375 1.042 -6.134) 9.649 3.872 ( 8.793 -5.350 15.931) 18.967 4.060 ( 5.412 -5.165 1.201) 7.577 4.117 ( -2.444 -1.978 1.536) 3.500 4.243 ( -4.660 -6.845 2.651) 8.695 4.316 ( 2.290 -6.548 3.928) 7.971 4.493 ( -2.434 -5.436 -1.087) 6.054 4.888 ( -1.632 -13.187 10.210) 16.757 5.004 ( 3.941 -20.878 -3.667) 21.561 5.045 ( 2.551 -3.860 -1.832) 4.977 5.117 ( 0.638 -6.825 0.544) 6.876 5.200 ( 3.155 -4.269 4.398) 6.894 5.327 ( -4.141 -1.734 -1.244) 4.658 5.557 ( -0.255 -6.211 3.173) 6.979 5.701 ( 2.904 -6.442 -1.042) 7.143 5.792 ( -0.884 -1.933 -2.925) 3.615 5.830 ( -2.360 -2.192 -7.016) 7.720 6.015 ( 9.542 3.523 -3.609) 10.793 6.128 ( -2.453 5.758 -0.631) 6.291 6.275 ( 3.099 10.779 2.434) 11.476 6.298 ( 7.287 10.829 -2.166) 13.231 6.431 ( 1.389 8.252 -1.436) 8.490 6.494 ( -3.652 7.045 2.450) 8.305 6.706 ( 1.360 4.476 3.777) 6.013 6.722 ( 0.507 -0.096 4.406) 4.436 6.739 ( -0.813 -1.391 6.353) 6.554 6.923 ( -4.443 1.528 -2.216) 5.195 6.961 ( -3.530 -2.770 -0.208) 4.492 7.046 ( -0.826 2.908 2.786) 4.111 7.107 ( -7.375 4.977 -3.716) 9.642 7.155 ( 7.364 9.204 -4.097) 12.479 7.343 ( -0.656 12.862 0.772) 12.902 7.418 ( -0.835 -0.794 -6.537) 6.638 7.506 ( -1.182 2.724 0.089) 2.971 7.762 ( -18.582 0.487 -20.421) 27.614 8.274 ( 5.541 -8.521 9.892) 14.183 8.533 ( 1.213 -11.334 -7.283) 13.527 8.896 ( 0.127 1.050 0.919) 1.402 8.937 ( -0.856 1.729 -4.539) 4.932 9.563 ( 2.779 1.992 5.980) 6.888 9.679 ( 1.659 1.240 -3.377) 3.962 10.147 ( 0.674 0.585 0.375) 0.968 10.225 ( -2.019 3.639 -4.277) 5.968 10.452 ( 1.718 0.756 5.546) 5.855 10.615 ( -1.704 1.113 -3.264) 3.846 11.977 ( 0.149 0.326 1.507) 1.549 12.023 ( -0.436 0.135 -1.561) 1.626 13.737 ( 0.567 0.095 1.028) 1.178 13.779 ( -0.478 0.400 -1.930) 2.029 13.976 ( 1.559 -0.475 1.751) 2.392 13.999 ( -0.439 -0.702 -0.308) 0.884 14.439 ( 9.533 -7.512 13.490) 18.146 14.521 ( 5.200 -5.601 5.870) 9.637 14.664 ( 10.262 -8.339 18.876) 23.046 15.095 ( 1.666 -9.567 -4.705) 10.791 15.405 ( 2.234 0.550 1.248) 2.618 15.428 ( 1.067 0.716 0.092) 1.288 15.672 ( -0.339 0.397 1.160) 1.273 15.724 ( -2.069 0.868 -1.146) 2.519 16.029 ( -1.524 0.629 1.022) 1.940 16.091 ( -10.948 -3.678 -3.594) 12.096 16.923 ( 2.751 -8.223 -0.639) 8.694 16.979 ( 1.906 -7.837 -3.941) 8.977 17.587 ( 2.453 -3.253 6.515) 7.684 17.640 ( 3.303 -1.173 -1.413) 3.779 20.523 ( 8.624 -12.503 20.955) 25.881 20.783 ( 1.259 -3.762 -3.626) 5.374 21.514 ( 3.031 2.039 1.827) 4.085 21.634 ( 3.042 7.212 -7.317) 10.715 26.226 ( 45.761 -50.557 73.048) 99.931 27.528 ( 20.444 -58.350 -18.052) 64.410 28.227 ( 4.052 -3.968 0.805) 5.728 28.290 ( 0.769 -2.609 -0.259) 2.732 28.982 ( 4.966 -7.078 -0.236) 8.650 29.029 ( 1.526 -5.569 -0.201) 5.778 29.303 ( 0.586 -0.369 0.467) 0.835 29.323 ( 0.047 -0.209 -0.396) 0.450 31.712 ( -0.000 7.574 1.724) 7.767 31.731 ( 3.393 8.047 -2.181) 9.001 32.692 ( -7.356 -3.582 -0.773) 8.219 32.725 ( -9.302 -3.613 1.171) 10.047 32.793 ( -5.387 0.964 -1.090) 5.580 32.818 ( -12.216 -4.104 -0.116) 12.887 33.194 ( -0.291 7.640 0.438) 7.658 33.256 ( -2.652 11.278 -2.705) 11.897 33.620 ( -1.787 34.003 17.490) 38.279 34.146 ( 14.080 39.693 -31.019) 52.306 35.239 ( -5.205 1.255 -2.460) 5.892 35.566 ( -37.905 -8.317 -14.407) 41.394 ======================= Grid point 137 (48/102) ======================= q-point: ( 0.09 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 18.157 0.000 16.731) 24.691 0.823 ( 21.612 0.000 15.735) 26.734 0.977 ( 17.469 0.000 -14.898) 22.959 0.988 ( -7.723 -0.000 -13.320) 15.397 1.385 ( 16.900 0.000 23.557) 28.992 1.438 ( 37.428 0.000 -9.733) 38.673 1.761 ( 19.566 0.000 9.221) 21.630 1.800 ( 11.399 0.000 1.098) 11.451 2.080 ( 6.767 0.000 -43.794) 44.314 2.094 ( 21.516 0.000 0.717) 21.528 2.233 ( 4.485 0.000 17.584) 18.147 2.375 ( -5.465 -0.000 -9.387) 10.862 2.461 ( 1.987 0.000 6.085) 6.401 2.572 ( 1.445 0.000 -2.520) 2.904 3.057 ( -7.850 -0.000 12.967) 15.157 3.250 ( -3.272 -0.000 -5.057) 6.023 3.447 ( -5.124 -0.000 0.219) 5.129 3.550 ( 1.101 0.000 -3.542) 3.709 3.622 ( -6.175 -0.000 1.069) 6.267 3.760 ( -6.108 -0.000 -5.663) 8.330 3.934 ( -5.516 -0.000 -2.533) 6.070 4.129 ( -3.461 -0.000 2.565) 4.308 4.186 ( -2.000 -0.000 -6.505) 6.806 4.245 ( -5.477 -0.000 9.153) 10.667 4.465 ( -2.871 -0.000 -1.126) 3.083 4.559 ( 6.565 0.000 3.721) 7.546 5.060 ( 1.537 0.000 11.969) 12.067 5.083 ( -11.866 -0.000 -5.971) 13.284 5.131 ( -0.217 -0.000 2.617) 2.626 5.155 ( -6.229 -0.000 -1.895) 6.511 5.300 ( -4.472 -0.000 0.978) 4.578 5.409 ( 13.329 0.000 -12.473) 18.255 5.666 ( -5.789 -0.000 6.224) 8.500 5.694 ( 0.772 0.000 4.419) 4.486 5.718 ( -2.823 -0.000 -0.683) 2.904 5.801 ( -3.665 -0.000 -10.908) 11.507 5.958 ( -8.533 -0.000 1.953) 8.753 6.014 ( -12.502 -0.000 0.336) 12.506 6.051 ( -2.739 -0.000 1.944) 3.359 6.083 ( -0.125 -0.000 -8.924) 8.925 6.272 ( -3.950 -0.000 4.677) 6.122 6.608 ( -0.476 -0.000 2.600) 2.644 6.663 ( 0.743 0.000 7.178) 7.217 6.700 ( 6.448 0.000 -2.201) 6.814 6.798 ( -2.132 -0.000 -4.051) 4.578 6.810 ( 4.037 0.000 3.280) 5.202 6.967 ( -4.185 -0.000 2.111) 4.687 7.066 ( 8.178 0.000 0.787) 8.215 7.136 ( 10.715 0.000 -5.332) 11.968 7.150 ( 9.377 0.000 0.954) 9.426 7.259 ( -2.491 -0.000 8.063) 8.439 7.333 ( 9.327 0.000 -12.751) 15.798 7.586 ( 5.855 0.000 -2.177) 6.246 7.671 ( 9.932 0.000 10.122) 14.181 8.459 ( -4.308 -0.000 7.176) 8.370 8.496 ( -7.289 -0.000 -11.166) 13.334 8.942 ( -1.200 -0.000 -2.143) 2.456 8.945 ( 7.492 0.000 -0.024) 7.492 9.538 ( -2.153 -0.000 6.337) 6.693 9.593 ( -4.729 -0.000 -4.682) 6.655 10.151 ( -1.301 -0.000 -1.558) 2.029 10.157 ( 0.561 0.000 1.683) 1.774 10.525 ( -1.876 -0.000 -6.189) 6.467 10.534 ( 2.182 0.000 5.958) 6.345 11.992 ( 0.614 0.000 2.222) 2.306 12.012 ( 0.431 0.000 -2.272) 2.313 13.739 ( -0.140 -0.000 1.602) 1.608 13.779 ( 1.002 0.000 -2.218) 2.434 13.999 ( -0.245 -0.000 -1.467) 1.487 14.003 ( 0.859 0.000 0.362) 0.932 14.484 ( -1.063 -0.000 4.260) 4.391 14.564 ( -0.510 -0.000 -5.073) 5.099 14.904 ( -18.997 -0.000 -16.035) 24.860 14.954 ( -23.881 -0.000 25.813) 35.165 15.395 ( -0.231 -0.000 2.002) 2.015 15.431 ( 1.048 0.000 -1.478) 1.812 15.705 ( 1.499 0.000 -2.094) 2.576 15.719 ( 3.127 0.000 1.591) 3.509 16.097 ( 6.552 0.000 7.291) 9.803 16.158 ( 8.494 0.000 -11.872) 14.598 16.971 ( -7.255 -0.000 2.470) 7.664 16.977 ( -7.700 -0.000 -2.745) 8.175 17.551 ( -7.459 -0.000 4.708) 8.820 17.626 ( -4.725 -0.000 -0.882) 4.807 20.683 ( -10.719 -0.000 13.190) 16.997 20.751 ( -8.517 -0.000 -6.354) 10.626 21.472 ( -3.221 -0.000 -0.517) 3.262 21.475 ( -2.603 -0.000 0.563) 2.664 27.042 ( -67.527 -0.000 -39.375) 78.168 27.108 ( -85.875 -0.000 65.667) 108.105 28.227 ( -4.900 -0.000 -1.226) 5.051 28.284 ( -2.230 -0.000 0.221) 2.241 28.976 ( -8.366 -0.000 -1.037) 8.430 29.049 ( -5.799 -0.000 0.701) 5.841 29.299 ( -1.353 -0.000 -0.501) 1.443 29.319 ( 0.437 0.000 0.499) 0.663 31.632 ( 1.655 0.000 -0.021) 1.655 31.640 ( 1.828 0.000 -0.002) 1.828 32.782 ( 6.547 0.000 0.437) 6.562 32.828 ( 7.259 0.000 0.122) 7.260 33.056 ( 10.170 0.000 -5.331) 11.483 33.145 ( 6.829 0.000 2.840) 7.396 33.185 ( 3.147 0.000 -0.001) 3.147 33.215 ( 11.200 0.000 1.139) 11.258 33.264 ( 11.265 0.000 7.471) 13.518 33.534 ( 26.084 0.000 -19.118) 32.340 35.449 ( 27.961 0.000 -19.794) 34.258 35.618 ( 23.296 0.000 15.979) 28.250 ======================= Grid point 138 (49/102) ======================= q-point: ( 0.18 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.189 11.776 3.447) 12.328 0.966 ( 11.650 -2.439 5.451) 13.091 1.201 ( 10.441 -10.059 -4.018) 15.045 1.282 ( 18.914 -17.021 -0.520) 25.450 1.732 ( 27.849 -12.939 -2.719) 30.829 1.798 ( 10.230 3.853 -19.861) 22.671 1.882 ( 15.867 -6.652 -0.162) 17.205 1.936 ( 11.973 -5.628 16.762) 21.354 2.170 ( 14.046 -3.047 -3.144) 14.713 2.330 ( 18.598 -3.258 -0.749) 18.896 2.394 ( 0.268 -7.810 -1.964) 8.058 2.484 ( 12.156 -14.750 2.754) 19.311 2.544 ( 8.203 -8.007 -0.851) 11.495 2.653 ( 7.189 -5.135 -2.345) 9.140 2.999 ( -2.092 1.992 12.558) 12.886 3.216 ( -3.813 -0.412 -2.683) 4.681 3.359 ( -2.274 4.142 -0.528) 4.755 3.551 ( -5.240 -1.420 -0.843) 5.495 3.583 ( -4.147 -1.452 -1.902) 4.788 3.748 ( -0.729 -2.367 -2.499) 3.518 3.837 ( -7.209 6.590 -3.005) 10.219 4.031 ( -5.899 3.300 5.608) 8.782 4.111 ( -1.153 3.436 -4.145) 5.506 4.279 ( -1.446 -0.644 -5.294) 5.526 4.348 ( 4.286 5.714 9.214) 11.658 4.551 ( 4.962 7.354 0.173) 8.873 4.797 ( -7.045 18.015 3.177) 19.603 4.894 ( -8.996 14.339 -1.628) 17.005 5.040 ( -5.323 19.681 -0.176) 20.389 5.067 ( -3.756 5.685 -2.046) 7.114 5.095 ( -4.685 -1.004 3.999) 6.241 5.447 ( 3.071 2.967 -4.482) 6.191 5.584 ( -2.677 2.692 4.686) 6.031 5.670 ( -5.745 -3.665 -6.322) 9.295 5.709 ( -0.324 6.439 -4.176) 7.681 5.757 ( 4.715 1.519 8.487) 9.826 5.962 ( -2.189 -5.812 -3.063) 6.924 6.062 ( -10.060 -15.183 1.078) 18.245 6.117 ( -4.593 -8.123 1.723) 9.489 6.201 ( -4.775 -10.664 -4.889) 12.666 6.380 ( 0.299 -10.683 0.471) 10.697 6.575 ( -1.698 3.674 -0.046) 4.048 6.682 ( -6.899 -3.324 3.326) 8.349 6.720 ( 2.396 0.049 3.286) 4.067 6.764 ( -2.169 -1.631 -2.614) 3.768 6.918 ( 0.171 -4.913 -6.137) 7.863 7.022 ( 2.319 -5.069 5.514) 7.841 7.105 ( 4.931 3.413 -0.199) 6.000 7.238 ( 6.772 -1.419 1.229) 7.027 7.266 ( 13.303 0.379 1.607) 13.405 7.316 ( -0.992 -10.161 0.096) 10.210 7.476 ( 5.283 -6.695 -6.136) 10.506 7.621 ( 5.141 1.936 -2.251) 5.937 7.746 ( 7.173 1.717 8.817) 11.495 8.252 ( -7.018 12.891 -2.080) 14.824 8.407 ( -4.943 5.123 -1.331) 7.243 8.909 ( -1.789 0.842 -1.793) 2.669 9.000 ( 5.463 0.971 -1.232) 5.684 9.541 ( -5.407 -1.347 1.052) 5.671 9.566 ( -4.559 -2.938 -0.010) 5.423 10.138 ( -1.797 -0.422 -1.227) 2.216 10.185 ( 0.368 -2.113 3.345) 3.973 10.505 ( -1.684 -0.157 -5.672) 5.919 10.569 ( 0.949 -1.384 4.821) 5.105 11.999 ( 0.503 0.084 1.598) 1.678 12.016 ( 0.454 -0.113 -1.666) 1.730 13.735 ( -0.264 0.268 0.359) 0.520 13.791 ( 1.364 -0.271 -1.664) 2.168 13.984 ( -0.812 0.741 -2.069) 2.343 14.012 ( 0.993 0.196 -0.049) 1.013 14.433 ( -3.717 4.702 -2.166) 6.373 14.543 ( -1.627 0.507 -2.298) 2.861 14.680 ( -12.405 7.324 11.086) 18.178 14.738 ( -9.579 2.311 -0.333) 9.859 15.396 ( -1.020 -0.279 2.126) 2.374 15.423 ( 0.923 1.655 -1.618) 2.491 15.725 ( 2.332 -0.458 -2.338) 3.334 15.758 ( 3.523 -0.581 1.734) 3.969 16.152 ( 6.870 2.184 8.541) 11.177 16.186 ( 4.954 1.732 -9.277) 10.658 16.852 ( -5.414 4.740 -3.474) 7.990 16.853 ( -5.435 5.268 1.627) 7.742 17.488 ( -5.620 0.411 3.652) 6.714 17.580 ( -4.618 -0.284 -1.068) 4.749 20.576 ( -4.319 3.801 14.455) 15.558 20.608 ( -8.105 4.208 -11.450) 14.646 21.483 ( -3.316 -4.252 -3.301) 6.322 21.516 ( -2.106 -5.173 2.975) 6.328 26.197 ( -37.294 26.046 19.363) 49.439 26.266 ( -40.102 22.358 -8.982) 46.784 28.150 ( -6.391 2.609 -2.840) 7.464 28.227 ( -5.158 3.281 1.644) 6.330 28.871 ( -6.477 2.733 -2.145) 7.350 28.937 ( -6.589 4.679 1.815) 8.282 29.289 ( -0.840 -0.066 -0.493) 0.976 29.324 ( 0.097 -0.061 0.397) 0.413 31.703 ( 1.159 -5.600 0.068) 5.719 31.721 ( 0.206 -6.009 -0.102) 6.013 32.824 ( 7.559 5.013 -0.170) 9.072 32.905 ( 9.543 -0.030 0.601) 9.562 33.007 ( 10.519 5.172 -0.895) 11.756 33.055 ( 11.508 10.871 0.262) 15.833 33.221 ( 2.014 -6.358 -0.204) 6.672 33.292 ( 4.033 -8.798 0.386) 9.686 33.779 ( 4.442 -24.710 9.282) 26.767 34.016 ( 1.686 -23.337 -12.421) 26.490 35.620 ( 20.986 4.375 -16.983) 27.349 35.787 ( 17.044 5.026 15.284) 23.438 ======================= Grid point 139 (50/102) ======================= q-point: ( 0.27 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 8.260 10.820 -3.239) 13.993 1.166 ( 12.385 -3.241 7.258) 14.716 1.447 ( 9.825 -5.994 -8.205) 14.135 1.683 ( 12.466 -6.753 -6.539) 15.613 1.765 ( 1.294 -3.697 -8.320) 9.196 2.003 ( 14.383 -0.142 14.431) 20.375 2.031 ( 5.987 -4.744 -5.079) 9.173 2.267 ( 7.393 -11.339 -2.951) 13.854 2.475 ( 6.100 -9.829 2.237) 11.782 2.531 ( 13.663 -6.539 -1.287) 15.202 2.613 ( 14.130 -14.275 -1.198) 20.121 2.796 ( 3.890 -7.897 4.217) 9.760 2.842 ( 10.549 -10.664 1.482) 15.073 2.891 ( 7.230 -9.404 5.702) 13.161 3.059 ( 11.596 -5.631 1.021) 12.931 3.204 ( -0.581 -3.192 0.209) 3.252 3.280 ( -1.521 4.013 -1.056) 4.420 3.506 ( -7.307 0.795 1.589) 7.520 3.511 ( -6.140 5.883 -3.773) 9.303 3.652 ( -4.211 1.977 2.311) 5.195 3.745 ( -2.118 1.975 -5.739) 6.428 3.963 ( 3.256 3.416 -0.046) 4.720 4.079 ( -5.831 -2.684 -2.244) 6.800 4.160 ( -6.910 7.437 -2.479) 10.450 4.311 ( 8.014 10.359 8.214) 15.460 4.436 ( -3.469 11.819 5.109) 13.335 4.549 ( 1.762 5.939 0.290) 6.201 4.623 ( 0.366 3.799 -0.411) 3.838 4.657 ( 1.898 15.617 -6.862) 17.164 4.956 ( -5.908 1.928 -0.504) 6.235 5.110 ( 2.363 0.180 4.238) 4.855 5.360 ( -1.614 7.753 -2.907) 8.436 5.509 ( 2.751 7.730 3.308) 8.847 5.584 ( -3.595 0.475 1.579) 3.955 5.658 ( -3.577 0.726 -5.869) 6.911 5.831 ( 1.308 -2.414 4.352) 5.146 6.030 ( 0.141 -4.759 -6.613) 8.148 6.152 ( -8.764 -3.204 -0.244) 9.335 6.213 ( -8.129 -8.954 4.820) 13.019 6.306 ( -4.826 -7.817 -5.867) 10.901 6.462 ( -6.232 2.982 2.443) 7.328 6.535 ( -1.362 -6.544 -2.863) 7.272 6.666 ( -1.379 -2.808 3.869) 4.975 6.820 ( 0.538 -9.381 -1.485) 9.513 6.825 ( -3.658 -5.263 -0.164) 6.411 6.979 ( 1.889 -2.420 -4.716) 5.627 7.087 ( 2.346 1.616 -1.371) 3.162 7.112 ( 4.232 0.038 7.603) 8.701 7.317 ( 1.786 -2.671 -0.858) 3.326 7.339 ( 5.302 1.002 4.759) 7.195 7.481 ( 1.603 -5.810 -3.951) 7.206 7.574 ( 2.301 -0.446 2.984) 3.794 7.631 ( 2.563 0.283 0.052) 2.579 7.785 ( 3.388 -0.399 0.204) 3.418 7.968 ( -2.815 13.630 -0.459) 13.925 8.247 ( -4.260 7.323 -0.755) 8.505 8.889 ( -0.949 -0.088 -0.336) 1.011 9.024 ( 2.826 0.372 -2.074) 3.525 9.497 ( -6.322 -0.826 -0.761) 6.421 9.565 ( -4.675 -1.371 0.809) 4.938 10.129 ( -1.786 -0.610 -0.678) 2.006 10.232 ( -0.325 -2.615 4.051) 4.833 10.482 ( -1.451 0.440 -4.345) 4.602 10.600 ( -0.297 -1.252 3.099) 3.355 12.005 ( 0.594 -0.032 0.774) 0.976 12.017 ( 0.156 0.094 -0.891) 0.910 13.730 ( 0.012 0.045 -1.168) 1.169 13.802 ( 1.202 0.384 -0.838) 1.514 13.956 ( -1.723 0.682 -3.968) 4.379 14.014 ( 1.010 0.692 0.065) 1.226 14.288 ( -3.191 5.699 -9.100) 11.201 14.473 ( -4.545 6.342 22.948) 24.239 14.552 ( -0.269 0.885 -2.212) 2.397 14.681 ( -2.534 -0.923 -6.192) 6.753 15.388 ( -0.818 0.588 0.585) 1.165 15.406 ( -0.110 0.067 -0.458) 0.476 15.755 ( 2.606 -0.571 -2.425) 3.605 15.803 ( 3.289 -0.633 2.010) 3.906 16.176 ( 5.614 2.719 4.846) 7.899 16.191 ( 3.297 0.976 -4.630) 5.767 16.723 ( -3.644 4.728 -5.491) 8.110 16.743 ( -2.377 3.726 4.277) 6.151 17.441 ( -4.428 -0.052 2.124) 4.911 17.550 ( -3.606 -0.813 -0.774) 3.777 20.462 ( -5.308 3.187 -12.806) 14.224 20.518 ( -1.679 2.577 13.235) 13.588 21.527 ( -2.751 -4.675 -4.513) 7.056 21.588 ( -1.622 -4.588 4.140) 6.389 25.601 ( -17.039 17.087 -6.050) 24.878 25.650 ( -18.143 18.116 8.456) 26.998 28.018 ( -6.754 4.704 -3.763) 9.050 28.091 ( -6.313 5.911 3.003) 9.155 28.778 ( -3.554 2.195 -1.685) 4.504 28.818 ( -3.773 3.305 1.659) 5.284 29.283 ( -0.572 -0.146 -0.541) 0.801 29.323 ( -0.166 0.134 0.456) 0.504 31.814 ( 0.165 -6.185 -0.189) 6.191 31.822 ( -0.135 -5.724 0.172) 5.728 32.793 ( 7.097 5.362 0.052) 8.895 32.990 ( 9.234 1.386 -0.093) 9.338 33.020 ( 10.289 5.672 -0.044) 11.749 33.079 ( 9.838 -0.396 -0.072) 9.847 33.399 ( 1.197 -11.861 -0.666) 11.939 33.514 ( 2.556 -12.700 1.157) 13.006 34.158 ( -1.031 -17.782 5.932) 18.774 34.290 ( -4.519 -13.342 -6.597) 15.555 35.681 ( 14.610 5.543 -9.326) 18.198 35.821 ( 11.161 7.342 9.077) 16.151 ======================= Grid point 140 (51/102) ======================= q-point: ( 0.36 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 13.149 -2.493 4.594) 14.149 1.265 ( 10.507 5.123 3.244) 12.132 1.499 ( 2.517 3.414 -8.657) 9.640 1.738 ( -3.739 -5.235 -14.126) 15.522 1.954 ( 12.146 -2.279 0.390) 12.364 2.126 ( 3.381 -0.299 -3.060) 4.570 2.160 ( 12.554 0.869 14.966) 19.553 2.464 ( 6.108 -5.864 -3.122) 9.025 2.622 ( -0.308 -0.671 0.950) 1.203 2.686 ( 5.466 -5.764 -0.457) 7.957 2.815 ( 0.512 2.861 6.577) 7.191 2.965 ( 2.073 -7.316 -4.573) 8.873 3.022 ( 4.225 2.624 0.143) 4.975 3.068 ( 4.044 -7.116 1.329) 8.292 3.180 ( 0.714 1.378 -0.012) 1.552 3.206 ( 1.597 -6.148 -0.847) 6.409 3.323 ( 3.781 1.971 -1.484) 4.515 3.374 ( -4.825 -4.899 3.827) 7.869 3.514 ( 3.138 -3.209 5.391) 7.015 3.642 ( -2.907 -4.850 -2.375) 6.133 3.687 ( -1.950 1.950 -3.291) 4.293 3.862 ( -3.280 4.384 -1.302) 5.628 4.038 ( -4.103 6.039 1.101) 7.383 4.107 ( -5.011 -2.140 -3.237) 6.337 4.208 ( 1.421 1.097 0.095) 1.798 4.291 ( 8.073 2.492 9.538) 12.741 4.474 ( 7.852 8.071 -7.342) 13.442 4.614 ( 11.827 -4.029 -1.404) 12.573 4.727 ( 3.368 -4.374 0.344) 5.531 4.866 ( -3.351 4.553 1.514) 5.853 5.114 ( 2.577 5.581 -1.941) 6.447 5.217 ( 0.351 3.310 3.884) 5.115 5.411 ( 1.504 4.791 0.862) 5.095 5.563 ( -3.210 1.234 5.922) 6.848 5.654 ( -1.546 -5.429 -2.052) 6.006 5.846 ( -1.285 -0.525 -2.074) 2.496 6.053 ( -8.001 1.821 -7.246) 10.948 6.113 ( -0.427 -2.594 -1.167) 2.876 6.223 ( -7.923 -2.424 5.028) 9.691 6.321 ( -6.781 -2.882 -4.837) 8.814 6.455 ( 0.937 -3.430 -1.718) 3.949 6.613 ( -2.376 -4.734 -1.021) 5.395 6.751 ( -1.623 -5.505 4.640) 7.380 6.836 ( -0.644 -0.042 1.689) 1.808 6.969 ( -5.575 -5.083 -1.808) 7.758 6.990 ( -0.498 -3.478 -0.364) 3.533 7.118 ( 6.522 4.378 2.091) 8.129 7.146 ( 3.977 -3.335 -1.001) 5.286 7.303 ( -4.421 3.344 1.706) 5.800 7.344 ( 1.410 1.943 0.881) 2.557 7.521 ( -4.021 -1.320 -2.369) 4.850 7.612 ( -0.725 2.620 0.978) 2.889 7.626 ( 5.529 -1.325 2.045) 6.042 7.790 ( 4.304 7.209 1.232) 8.485 7.814 ( -0.255 -0.491 -1.791) 1.874 8.103 ( -2.997 5.185 -0.433) 6.005 8.892 ( -0.189 -0.725 0.892) 1.165 9.033 ( 1.154 0.479 -2.611) 2.895 9.461 ( -4.409 -0.797 2.117) 4.956 9.535 ( -4.378 -0.722 -1.809) 4.792 10.123 ( -1.444 -0.562 -0.243) 1.569 10.272 ( -0.684 -2.228 2.744) 3.600 10.455 ( -1.030 0.819 -2.652) 2.961 10.615 ( -0.874 -0.952 1.672) 2.113 12.010 ( 0.607 0.293 -1.381) 1.536 12.016 ( -0.056 -0.156 1.172) 1.184 13.731 ( 0.330 -0.192 -2.290) 2.322 13.799 ( 0.970 1.024 -0.408) 1.468 13.920 ( -2.346 0.711 -5.127) 5.683 14.007 ( 0.835 1.131 0.532) 1.503 14.185 ( 0.151 3.862 -5.087) 6.388 14.368 ( -2.578 4.908 19.003) 19.795 14.549 ( 0.661 -0.068 -2.192) 2.290 14.677 ( -0.915 -1.030 -5.099) 5.282 15.375 ( -0.413 0.052 0.278) 0.501 15.415 ( -0.578 -1.388 -0.241) 1.523 15.783 ( 2.349 -0.157 -2.657) 3.549 15.841 ( 2.346 -0.316 2.540) 3.472 16.183 ( 3.673 1.767 1.273) 4.270 16.203 ( 2.631 0.734 -1.472) 3.103 16.613 ( -2.482 3.928 -6.231) 7.773 16.683 ( -1.098 2.315 6.070) 6.588 17.414 ( -2.980 -0.725 1.563) 3.443 17.534 ( -2.614 -0.730 -0.911) 2.863 20.365 ( -3.174 2.150 -10.104) 10.807 20.481 ( -1.182 1.922 9.963) 10.215 21.578 ( -1.490 -4.159 -3.689) 5.755 21.646 ( -1.276 -3.285 3.336) 4.853 25.235 ( -8.557 11.164 -11.668) 18.276 25.308 ( -8.061 10.332 12.508) 18.116 27.873 ( -5.402 4.659 -3.443) 7.921 27.940 ( -5.246 5.277 2.963) 8.009 28.726 ( -1.550 1.142 -0.921) 2.135 28.756 ( -1.678 1.485 0.944) 2.431 29.281 ( -0.311 -0.142 -0.574) 0.668 29.319 ( -0.270 0.222 0.503) 0.613 31.905 ( -0.223 -4.618 -0.263) 4.631 31.913 ( -0.031 -4.854 0.242) 4.860 32.781 ( 6.004 3.439 0.138) 6.921 33.014 ( 6.867 3.392 -0.201) 7.662 33.046 ( 8.046 2.907 -0.053) 8.555 33.172 ( 8.305 -0.037 -0.007) 8.305 33.614 ( 0.725 -11.800 -0.786) 11.849 33.754 ( 1.398 -12.823 1.492) 12.985 34.389 ( -3.204 -9.113 2.967) 10.105 34.417 ( -4.552 -10.658 -3.559) 12.123 35.696 ( 9.751 5.060 -4.524) 11.881 35.790 ( 7.114 6.945 4.525) 10.924 ======================= Grid point 141 (52/102) ======================= q-point: ( 0.45 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 11.016 7.784 8.885) 16.153 1.288 ( 11.407 1.420 2.852) 11.843 1.438 ( -1.557 0.477 -9.454) 9.593 1.772 ( -0.325 0.621 1.778) 1.911 1.982 ( 8.703 5.914 -13.455) 17.081 2.039 ( -0.290 11.812 -2.318) 12.041 2.222 ( 6.671 6.217 10.631) 14.006 2.524 ( -3.635 -0.138 4.178) 5.540 2.643 ( 6.038 -6.975 -3.502) 9.868 2.754 ( -1.152 3.716 5.772) 6.961 2.809 ( 5.024 -1.469 1.890) 5.565 2.980 ( 3.972 1.351 -9.424) 10.315 3.052 ( -0.441 -2.548 -2.947) 3.921 3.154 ( -1.390 -0.537 0.541) 1.585 3.202 ( -3.249 0.459 2.141) 3.918 3.240 ( -1.070 -3.430 5.109) 6.246 3.362 ( -1.290 -3.321 -3.251) 4.823 3.423 ( 1.336 -0.494 3.080) 3.393 3.621 ( -1.002 1.863 3.172) 3.813 3.680 ( 2.724 -7.148 -2.417) 8.022 3.737 ( 4.479 -4.400 -0.244) 6.283 3.815 ( -3.220 -1.416 0.242) 3.526 3.950 ( -1.057 -3.082 -1.115) 3.443 4.081 ( -5.648 -2.122 -0.906) 6.101 4.220 ( 2.223 4.381 6.537) 8.177 4.336 ( 3.699 0.884 -7.300) 8.232 4.469 ( 5.312 2.098 0.747) 5.760 4.701 ( -4.405 5.134 2.703) 7.285 4.735 ( 2.431 3.594 0.961) 4.444 4.913 ( 8.357 -9.518 -4.241) 13.358 4.969 ( 1.948 9.344 -2.157) 9.786 5.286 ( 4.972 -2.716 3.945) 6.904 5.398 ( 0.238 -2.465 0.691) 2.571 5.532 ( 0.501 1.160 5.014) 5.171 5.745 ( -2.370 -5.808 -2.344) 6.696 5.859 ( -1.941 -1.969 -0.439) 2.800 5.958 ( -5.079 -1.790 -5.834) 7.940 6.111 ( -2.043 -0.610 3.339) 3.961 6.220 ( -1.831 -0.892 1.727) 2.671 6.338 ( -2.019 -4.885 -1.363) 5.458 6.495 ( 1.598 1.840 -4.453) 5.076 6.616 ( -2.659 0.210 3.860) 4.691 6.787 ( -1.376 -1.856 4.621) 5.167 6.821 ( -7.654 -0.549 -8.078) 11.142 6.972 ( -1.024 -1.892 -0.053) 2.152 7.059 ( -3.103 -2.864 1.769) 4.578 7.093 ( 4.775 4.382 -0.393) 6.493 7.168 ( 1.480 4.004 0.933) 4.370 7.245 ( -3.972 -2.827 1.977) 5.261 7.335 ( 5.317 1.081 -0.231) 5.431 7.475 ( -3.523 0.398 -3.320) 4.858 7.588 ( -0.884 -0.053 1.068) 1.387 7.690 ( 1.484 -0.650 0.861) 1.834 7.757 ( 5.342 3.021 2.072) 6.477 7.795 ( -0.830 1.173 -0.729) 1.611 8.016 ( -2.035 2.399 -0.528) 3.190 8.909 ( 0.503 -0.822 1.343) 1.653 9.025 ( 0.151 0.734 -2.521) 2.630 9.440 ( -2.532 -0.172 3.687) 4.476 9.520 ( -2.781 -1.891 -2.743) 4.340 10.122 ( -0.854 -0.563 -0.105) 1.028 10.303 ( -0.392 -1.720 0.909) 1.984 10.431 ( -0.539 0.757 -1.222) 1.535 10.624 ( -0.888 -0.884 0.909) 1.548 12.004 ( 0.073 0.492 -1.057) 1.169 12.023 ( 0.194 -0.296 0.840) 0.911 13.736 ( 0.406 -0.281 -3.213) 3.250 13.787 ( 0.758 1.205 -0.324) 1.460 13.881 ( -1.715 0.900 -2.651) 3.283 13.995 ( 0.558 1.125 0.829) 1.505 14.138 ( 1.086 2.209 -1.889) 3.103 14.300 ( -2.193 2.576 12.693) 13.136 14.556 ( 0.685 -0.197 -1.318) 1.499 14.681 ( -0.318 -0.773 -5.073) 5.141 15.380 ( -0.116 -0.710 1.397) 1.571 15.440 ( -0.147 -1.938 -0.528) 2.014 15.791 ( 1.600 1.087 -2.685) 3.309 15.865 ( 1.054 -0.235 2.782) 2.984 16.186 ( 2.344 1.563 1.023) 2.997 16.208 ( 1.227 0.605 -1.512) 2.039 16.532 ( -1.302 2.739 -4.628) 5.533 16.654 ( -0.583 0.948 4.634) 4.765 17.413 ( -1.511 -1.283 1.538) 2.509 17.523 ( -1.583 -0.515 -1.172) 2.036 20.302 ( -1.588 1.569 -6.049) 6.448 20.456 ( -0.924 0.738 5.832) 5.950 21.627 ( -0.472 -2.962 -2.151) 3.691 21.684 ( -0.865 -2.090 1.947) 2.985 25.023 ( -3.724 6.123 -5.356) 8.947 25.147 ( -3.305 4.166 5.815) 7.880 27.764 ( -3.196 2.769 -2.222) 4.777 27.835 ( -3.127 2.600 1.900) 4.489 28.703 ( -0.459 0.398 -0.538) 0.811 28.730 ( -0.697 0.551 0.566) 1.053 29.281 ( -0.041 -0.121 -0.533) 0.548 29.313 ( -0.279 0.167 0.480) 0.579 31.969 ( 0.108 -3.039 0.051) 3.042 31.981 ( 0.083 -3.099 -0.084) 3.101 32.780 ( 4.415 2.772 0.204) 5.218 33.012 ( 3.570 2.694 -0.195) 4.476 33.053 ( 5.449 3.741 -0.067) 6.610 33.223 ( 4.950 1.571 -0.009) 5.193 33.792 ( 0.380 -8.241 -0.479) 8.264 33.964 ( 0.791 -9.940 1.209) 10.045 34.441 ( -3.706 -3.706 -1.162) 5.368 34.566 ( -2.260 -8.644 0.521) 8.950 35.682 ( 5.220 4.497 -2.058) 7.190 35.735 ( 3.503 5.748 2.084) 7.047 ======================= Grid point 142 (53/102) ======================= q-point: (-0.45 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 23.279 6.115 4.122) 24.419 1.341 ( 4.134 1.870 -2.420) 5.142 1.573 ( 6.226 -13.232 0.084) 14.624 1.675 ( 1.816 11.056 7.293) 13.369 1.811 ( 4.734 10.785 -0.845) 11.809 2.032 ( 6.216 -3.431 -11.718) 13.701 2.134 ( 2.291 7.464 -0.138) 7.808 2.541 ( -1.464 -1.034 3.655) 4.071 2.671 ( 0.784 6.327 3.539) 7.292 2.809 ( 1.079 -4.938 -2.324) 5.563 2.853 ( 3.182 0.651 2.705) 4.227 2.969 ( 3.563 3.452 -7.518) 9.007 3.053 ( -1.995 0.083 -0.495) 2.057 3.118 ( -4.051 0.033 1.656) 4.377 3.190 ( -3.123 -2.662 -1.273) 4.296 3.240 ( -4.172 -0.475 6.255) 7.534 3.372 ( -2.479 -2.509 -0.444) 3.555 3.503 ( 7.149 -2.423 -0.026) 7.548 3.538 ( -4.621 4.067 1.409) 6.315 3.697 ( -4.530 -0.533 -5.351) 7.032 3.845 ( 3.533 0.432 2.719) 4.479 3.922 ( 2.852 0.203 2.450) 3.766 3.988 ( -5.799 -3.745 0.693) 6.937 4.065 ( -0.394 0.558 3.678) 3.741 4.134 ( -0.793 1.978 -4.475) 4.956 4.279 ( -5.130 5.530 0.796) 7.585 4.448 ( -4.210 -2.690 -3.083) 5.870 4.620 ( -1.471 -0.402 0.368) 1.569 4.746 ( 7.526 1.670 -2.135) 7.999 4.883 ( 7.948 4.546 1.008) 9.212 5.010 ( -3.574 3.100 0.724) 4.786 5.320 ( 0.047 2.222 0.584) 2.298 5.503 ( 1.636 -7.213 0.844) 7.444 5.538 ( 1.242 -0.242 0.617) 1.408 5.756 ( -0.515 0.526 -5.681) 5.728 5.876 ( -1.388 -3.348 3.681) 5.166 6.045 ( -3.399 -9.668 0.536) 10.262 6.103 ( 1.984 1.674 -1.180) 2.852 6.265 ( -0.871 -5.048 4.829) 7.040 6.317 ( 1.174 10.766 6.766) 12.769 6.473 ( 1.814 -3.915 -10.083) 10.968 6.658 ( 0.330 -5.243 3.434) 6.276 6.683 ( -11.616 3.268 -8.289) 14.639 6.816 ( 0.890 -1.154 3.401) 3.700 6.982 ( -0.002 -0.045 0.421) 0.423 7.028 ( 2.632 4.742 0.234) 5.428 7.089 ( -1.698 -2.223 0.526) 2.847 7.152 ( 0.532 1.536 2.448) 2.939 7.253 ( -4.868 -2.663 -0.529) 5.574 7.363 ( 1.786 0.082 -4.468) 4.813 7.490 ( 5.043 -1.715 1.629) 5.570 7.559 ( -2.818 1.763 -0.636) 3.384 7.692 ( 1.858 1.168 0.782) 2.330 7.751 ( -0.140 0.755 2.822) 2.925 7.801 ( 3.517 0.051 -0.791) 3.606 7.979 ( -2.018 -0.382 -1.171) 2.364 8.926 ( 0.663 -0.188 1.321) 1.490 9.012 ( -0.135 0.366 -2.217) 2.251 9.438 ( -0.672 -1.211 3.382) 3.655 9.533 ( -1.115 -1.846 -1.971) 2.921 10.128 ( -0.045 -0.756 -0.135) 0.770 10.327 ( 0.195 -1.245 -0.532) 1.368 10.418 ( -0.010 0.327 -0.074) 0.336 10.632 ( -0.656 -0.816 0.414) 1.126 11.994 ( -0.127 0.469 -0.311) 0.577 12.030 ( 0.084 -0.248 0.170) 0.312 13.738 ( 0.329 0.049 -3.146) 3.163 13.776 ( 0.587 0.547 -0.750) 1.098 13.856 ( -0.252 0.718 1.623) 1.792 13.983 ( 0.201 0.715 0.827) 1.112 14.113 ( 0.135 1.618 -0.420) 1.677 14.275 ( -1.935 -0.711 6.966) 7.265 14.563 ( 0.360 -0.147 -0.502) 0.635 14.686 ( 0.173 -0.620 -6.313) 6.346 15.393 ( 0.302 -0.325 2.616) 2.653 15.472 ( 0.639 -1.498 -0.481) 1.698 15.772 ( 0.677 1.951 -1.568) 2.593 15.873 ( -0.341 0.107 1.780) 1.816 16.173 ( 0.656 1.676 0.130) 1.804 16.199 ( -0.071 1.052 -0.492) 1.164 16.487 ( -0.123 1.240 -1.937) 2.303 16.653 ( -0.246 -0.936 1.434) 1.730 17.431 ( -0.290 -1.540 1.519) 2.183 17.521 ( -0.490 -0.540 -1.171) 1.380 20.267 ( -0.368 1.047 -1.736) 2.060 20.457 ( -0.472 -1.261 1.640) 2.122 21.657 ( 0.031 -0.845 -0.474) 0.969 21.710 ( -0.274 -1.483 0.404) 1.562 24.934 ( -0.872 1.561 -1.253) 2.183 25.107 ( -0.669 -1.102 1.438) 1.931 27.720 ( -0.901 -0.085 -0.696) 1.141 27.802 ( -0.978 -0.873 0.564) 1.427 28.699 ( 0.164 -0.090 -0.338) 0.386 28.722 ( -0.231 -0.097 0.353) 0.433 29.283 ( 0.197 -0.116 -0.438) 0.494 29.310 ( -0.252 0.001 0.407) 0.478 32.010 ( 0.537 -1.320 0.243) 1.446 32.019 ( 0.454 -1.047 -0.284) 1.176 32.766 ( 2.612 2.817 0.251) 3.850 32.985 ( -0.250 2.395 -0.272) 2.423 33.023 ( 3.028 4.317 -0.007) 5.274 33.208 ( 0.655 3.235 -0.009) 3.301 33.889 ( 0.204 -2.658 0.183) 2.672 34.087 ( -0.500 -3.651 -0.083) 3.686 34.474 ( -0.140 -2.851 0.291) 2.869 34.665 ( -0.673 -4.817 -0.316) 4.874 35.634 ( 0.852 4.313 -0.851) 4.478 35.667 ( -0.200 4.213 0.861) 4.305 ======================= Grid point 143 (54/102) ======================= q-point: (-0.36 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 20.657 0.939 -1.146) 20.710 1.352 ( 4.083 0.536 -5.865) 7.166 1.468 ( 4.198 13.139 7.388) 15.648 1.843 ( 10.938 -0.946 4.283) 11.785 1.884 ( 5.016 -12.066 0.955) 13.102 2.019 ( 8.038 7.954 -0.625) 11.326 2.170 ( 2.742 -7.473 -8.707) 11.797 2.520 ( -4.719 -0.240 -0.634) 4.768 2.553 ( 0.904 8.217 6.072) 10.257 2.774 ( -1.718 4.372 -1.416) 4.906 2.836 ( -0.055 6.060 1.027) 6.147 2.919 ( 0.682 3.386 -6.612) 7.460 3.036 ( -2.796 -1.791 -0.281) 3.332 3.118 ( -4.007 -0.362 6.541) 7.680 3.194 ( -1.194 -3.866 -7.072) 8.147 3.293 ( 0.824 -1.197 7.075) 7.223 3.371 ( -8.099 2.708 -3.219) 9.126 3.417 ( -4.116 -4.113 2.488) 6.328 3.602 ( 3.993 -1.067 0.074) 4.134 3.634 ( -5.242 2.421 -2.229) 6.189 3.778 ( -0.045 6.427 0.716) 6.467 3.808 ( -1.650 9.245 -0.454) 9.402 3.909 ( -2.920 -0.639 5.471) 6.234 4.052 ( -10.644 0.839 0.738) 10.702 4.142 ( 1.384 2.020 3.811) 4.530 4.222 ( -5.607 -6.831 -6.835) 11.172 4.493 ( 2.470 -0.400 -5.681) 6.208 4.661 ( 0.075 -3.710 1.397) 3.965 4.708 ( -0.690 11.929 6.199) 13.461 4.788 ( -5.141 4.665 -4.497) 8.271 5.014 ( 12.634 -2.769 0.214) 12.935 5.239 ( -1.769 4.250 -0.486) 4.629 5.544 ( -0.443 -0.872 0.838) 1.288 5.635 ( 1.436 -4.754 -2.772) 5.688 5.765 ( 2.056 -0.320 -3.900) 4.421 5.925 ( 2.564 -0.381 9.176) 9.536 6.024 ( -1.875 7.523 -4.231) 8.833 6.144 ( 3.326 3.842 3.116) 5.961 6.213 ( -2.108 -5.923 8.369) 10.467 6.347 ( -0.570 -4.920 -5.671) 7.530 6.531 ( -4.198 0.057 -4.107) 5.873 6.574 ( -1.851 -4.733 -6.361) 8.142 6.782 ( 2.727 -5.450 5.234) 8.033 6.835 ( -2.754 -0.875 2.198) 3.630 6.972 ( -1.225 0.028 0.232) 1.247 6.981 ( 2.612 3.632 1.203) 4.633 7.083 ( -4.950 3.524 1.156) 6.186 7.125 ( -0.822 -2.314 -0.941) 2.630 7.253 ( -0.699 -2.004 -0.517) 2.184 7.398 ( 2.813 -1.267 -0.964) 3.233 7.484 ( -3.017 2.288 -1.953) 4.260 7.560 ( 1.945 0.826 -2.457) 3.241 7.699 ( 4.828 0.601 4.191) 6.422 7.747 ( -0.174 0.539 1.396) 1.506 7.837 ( 3.785 -0.229 0.078) 3.793 7.994 ( -1.411 -3.893 -2.707) 4.947 8.930 ( 0.527 0.392 1.480) 1.619 9.006 ( -0.093 -0.063 -2.575) 2.577 9.477 ( 0.613 -2.565 4.422) 5.148 9.555 ( 0.658 -1.377 -2.272) 2.737 10.145 ( 0.737 -0.802 -0.107) 1.095 10.347 ( 0.176 -1.044 -2.939) 3.124 10.420 ( 0.900 0.109 2.348) 2.517 10.639 ( -0.503 -0.628 -0.232) 0.837 11.986 ( -0.155 0.341 0.462) 0.595 12.033 ( -0.069 -0.156 -0.488) 0.517 13.736 ( 0.651 0.343 -1.531) 1.699 13.777 ( 0.033 -0.309 -1.857) 1.883 13.859 ( 1.514 0.077 5.300) 5.513 13.976 ( -0.133 0.300 0.941) 0.997 14.085 ( -0.918 1.026 0.471) 1.455 14.302 ( -2.130 -3.756 2.841) 5.169 14.567 ( -0.256 -0.245 -0.079) 0.363 14.692 ( 0.743 -0.770 -8.690) 8.756 15.401 ( 0.842 0.512 3.952) 4.073 15.495 ( 1.711 0.160 -0.701) 1.856 15.742 ( -0.067 1.658 0.271) 1.681 15.856 ( -1.562 0.874 0.223) 1.804 16.144 ( -1.012 1.462 -0.773) 1.939 16.170 ( -1.007 1.775 0.756) 2.176 16.483 ( 0.681 -0.516 1.043) 1.348 16.684 ( -0.150 -2.870 -2.470) 3.789 17.460 ( 0.654 -1.504 1.460) 2.195 17.531 ( 0.469 -0.844 -0.852) 1.288 20.257 ( 0.684 0.301 2.445) 2.557 20.494 ( -0.137 -3.338 -2.239) 4.021 21.655 ( 0.395 1.271 0.937) 1.628 21.731 ( 0.288 -0.999 -0.924) 1.391 24.947 ( 1.053 -2.837 2.554) 3.960 25.179 ( 1.217 -7.535 -2.695) 8.094 27.749 ( 1.046 -3.223 0.879) 3.501 27.847 ( 0.651 -4.438 -0.727) 4.545 28.708 ( 0.618 -0.611 -0.162) 0.884 28.730 ( 0.076 -0.925 0.156) 0.941 29.288 ( 0.358 -0.114 -0.291) 0.475 29.309 ( -0.225 -0.202 0.280) 0.412 32.023 ( 0.756 0.666 0.431) 1.096 32.024 ( 0.924 1.022 -0.466) 1.455 32.734 ( 1.155 2.922 0.271) 3.153 32.924 ( -3.601 2.590 -0.352) 4.450 32.969 ( 0.953 4.110 0.061) 4.219 33.131 ( -3.118 4.316 -0.019) 5.324 33.883 ( 0.183 3.623 1.149) 3.805 34.075 ( -1.348 3.445 -2.365) 4.391 34.527 ( 2.394 -0.915 3.911) 4.676 34.722 ( 2.280 -1.374 -2.581) 3.708 35.550 ( -2.782 4.392 -0.604) 5.234 35.592 ( -4.159 2.324 0.541) 4.795 ======================= Grid point 144 (55/102) ======================= q-point: (-0.27 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 8.129 18.176 -10.320) 22.427 1.293 ( -5.105 4.211 6.527) 9.295 1.473 ( 19.031 5.147 3.545) 20.031 1.805 ( 7.373 14.887 11.742) 20.344 1.977 ( 1.881 0.659 -5.837) 6.168 2.079 ( 0.031 2.439 -0.082) 2.441 2.249 ( 0.044 1.605 -9.642) 9.775 2.436 ( 1.179 8.088 0.846) 8.217 2.522 ( -6.355 -2.703 2.053) 7.205 2.642 ( -5.922 8.541 -1.860) 10.558 2.701 ( 3.879 4.144 -2.156) 6.072 2.859 ( -4.587 5.477 0.995) 7.213 3.030 ( -0.602 1.183 1.187) 1.781 3.051 ( -6.120 0.337 0.180) 6.132 3.195 ( -2.003 -0.388 1.914) 2.798 3.259 ( 2.622 -2.585 -3.768) 5.268 3.392 ( -1.327 1.673 -1.081) 2.394 3.451 ( -5.866 -3.906 6.183) 9.375 3.526 ( -1.764 1.352 2.396) 3.268 3.605 ( -1.126 1.416 -1.576) 2.400 3.724 ( 1.335 0.176 1.043) 1.703 3.797 ( 4.308 -6.060 -1.764) 7.641 3.922 ( -3.562 -2.431 0.032) 4.312 3.965 ( -6.016 -2.186 4.382) 7.757 4.090 ( -6.982 5.763 -1.510) 9.178 4.199 ( -6.657 -3.169 -4.027) 8.401 4.390 ( 1.563 10.162 -2.398) 10.558 4.536 ( 1.226 1.874 2.833) 3.611 4.690 ( -2.148 -0.996 -2.243) 3.261 4.793 ( 0.529 -1.231 -2.879) 3.175 5.123 ( 7.667 3.047 0.588) 8.271 5.252 ( 6.938 -4.307 0.642) 8.191 5.557 ( -1.360 0.277 2.755) 3.084 5.624 ( -6.815 0.610 -1.730) 7.057 5.767 ( 7.641 5.869 -6.457) 11.598 5.854 ( -1.533 4.890 2.103) 5.540 6.024 ( 4.846 -4.423 10.659) 12.517 6.162 ( 2.156 -1.959 1.364) 3.216 6.316 ( 0.718 -5.446 2.568) 6.064 6.432 ( 0.411 -5.693 -3.332) 6.610 6.484 ( -4.271 0.355 -1.554) 4.559 6.638 ( -2.237 -3.191 -6.697) 7.748 6.814 ( -1.761 -0.804 -3.415) 3.926 6.833 ( -2.046 -0.168 6.119) 6.455 6.939 ( 1.919 3.478 -2.226) 4.553 6.972 ( -2.706 2.875 2.769) 4.822 7.010 ( -0.858 -1.350 2.328) 2.825 7.144 ( -1.670 -0.591 1.024) 2.046 7.288 ( 2.039 0.755 -0.279) 2.192 7.397 ( -5.645 1.954 0.589) 6.003 7.446 ( 1.783 -0.839 -1.805) 2.672 7.522 ( -3.668 -0.662 -4.384) 5.754 7.730 ( 0.319 1.271 2.557) 2.873 7.756 ( 7.114 1.455 2.456) 7.665 7.870 ( 3.785 0.520 -0.128) 3.823 8.079 ( 0.158 -6.772 -3.659) 7.699 8.929 ( 0.493 0.522 1.791) 1.930 9.003 ( -0.032 0.049 -3.858) 3.858 9.530 ( 0.756 -1.787 6.259) 6.553 9.598 ( 2.519 -2.403 -2.518) 4.296 10.165 ( 1.255 -0.323 0.172) 1.307 10.350 ( -1.718 -0.560 -6.435) 6.684 10.440 ( 2.929 0.165 5.919) 6.606 10.641 ( -0.693 -0.359 -1.157) 1.395 11.982 ( 0.000 0.160 1.133) 1.144 12.033 ( -0.220 -0.037 -1.069) 1.092 13.738 ( 1.034 0.205 -0.650) 1.239 13.780 ( -0.591 -0.526 -1.970) 2.123 13.896 ( 3.508 -0.794 7.616) 8.422 13.972 ( -0.409 0.021 1.151) 1.222 14.071 ( -1.006 -0.666 2.798) 3.047 14.358 ( -2.834 -5.006 0.915) 5.825 14.568 ( -1.157 -0.817 0.064) 1.418 14.710 ( 1.188 -1.903 -12.549) 12.747 15.405 ( 1.516 0.787 5.336) 5.603 15.498 ( 2.767 1.708 -0.926) 3.381 15.717 ( -0.413 1.126 1.633) 2.026 15.817 ( -2.201 1.464 -1.044) 2.842 16.105 ( -2.149 1.238 -1.034) 2.687 16.125 ( -1.654 2.037 1.159) 2.869 16.522 ( 1.118 -2.835 3.526) 4.661 16.737 ( -0.407 -4.114 -6.306) 7.541 17.496 ( 1.187 -1.368 2.199) 2.849 17.555 ( 1.105 -1.213 -0.890) 1.866 20.276 ( 1.704 -0.696 6.777) 7.022 20.557 ( -0.307 -4.617 -5.832) 7.445 21.630 ( 1.092 2.427 2.386) 3.574 21.744 ( 0.477 -0.189 -2.420) 2.474 25.059 ( 2.732 -7.731 8.379) 11.723 25.399 ( 2.877 -17.542 -8.756) 19.815 27.848 ( 2.365 -6.109 2.388) 6.972 27.956 ( 1.269 -7.249 -1.801) 7.576 28.734 ( 1.060 -1.577 0.117) 1.904 28.759 ( 0.386 -2.334 -0.158) 2.371 29.293 ( 0.399 -0.105 0.006) 0.413 29.312 ( -0.208 -0.332 -0.003) 0.392 31.996 ( 0.910 3.166 0.187) 3.300 32.005 ( 1.003 2.665 -0.209) 2.855 32.693 ( 0.490 2.688 0.292) 2.748 32.833 ( -5.584 2.822 -0.388) 6.269 32.906 ( -0.564 3.455 0.134) 3.504 33.014 ( -5.183 4.527 -0.083) 6.882 33.777 ( 0.376 9.179 2.234) 9.454 33.951 ( -1.324 9.011 -4.797) 10.294 34.531 ( 2.387 4.498 9.888) 11.123 34.753 ( 6.225 1.805 -7.055) 9.580 35.438 ( -4.670 4.297 -1.072) 6.437 35.510 ( -8.523 0.478 0.645) 8.561 ======================= Grid point 145 (56/102) ======================= q-point: (-0.18 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 18.658 15.149 6.559) 24.913 1.157 ( -10.059 3.896 2.900) 11.171 1.513 ( 16.108 11.671 1.402) 19.941 1.544 ( 1.632 22.189 10.495) 24.600 1.867 ( -6.813 10.321 -6.865) 14.145 1.898 ( -5.698 10.674 -3.645) 12.637 2.103 ( -2.809 12.336 -6.681) 14.308 2.198 ( -8.575 13.914 -2.616) 16.552 2.354 ( -8.031 13.910 1.763) 16.159 2.424 ( -3.098 5.521 -2.697) 6.881 2.670 ( -3.067 10.555 12.527) 16.665 2.759 ( 9.574 7.940 -1.803) 12.568 2.882 ( -5.064 17.438 1.967) 18.264 2.987 ( -4.328 4.159 -12.132) 13.536 3.189 ( 0.355 0.083 2.817) 2.841 3.276 ( 0.489 3.831 1.936) 4.320 3.399 ( 0.884 -5.053 3.061) 5.974 3.435 ( 3.619 -0.528 -1.098) 3.819 3.626 ( 0.009 -9.760 1.472) 9.870 3.637 ( 1.485 -7.864 1.503) 8.143 3.759 ( -3.232 -2.528 -1.277) 4.298 3.890 ( 0.627 -1.461 -5.333) 5.565 3.956 ( -1.606 -0.409 -4.998) 5.266 3.973 ( -5.485 -6.512 3.794) 9.321 4.086 ( 6.799 -9.731 0.909) 11.905 4.240 ( -5.875 -6.848 0.065) 9.024 4.387 ( 2.178 -9.422 0.804) 9.704 4.535 ( -1.173 -1.667 -1.924) 2.803 4.722 ( 2.664 -5.558 -0.514) 6.184 4.806 ( -2.834 -3.646 1.810) 4.960 5.160 ( 10.996 1.876 -1.118) 11.211 5.340 ( -5.039 -0.086 3.780) 6.300 5.529 ( 0.926 -3.776 2.974) 4.895 5.632 ( 1.235 4.757 1.767) 5.223 5.654 ( 0.119 0.918 -2.320) 2.498 5.824 ( -1.100 2.191 -3.270) 4.087 6.137 ( 3.080 -2.047 4.286) 5.661 6.250 ( 2.920 -4.035 -3.026) 5.828 6.399 ( -0.607 -3.733 2.566) 4.570 6.419 ( -0.292 3.010 -1.186) 3.249 6.531 ( 2.541 -3.022 1.997) 4.425 6.650 ( -1.758 -2.978 -2.698) 4.385 6.802 ( -1.399 1.195 6.588) 6.840 6.844 ( -2.284 3.400 0.219) 4.102 6.864 ( 1.609 5.768 -2.911) 6.658 6.903 ( 1.906 -0.978 0.308) 2.164 7.010 ( -0.656 4.081 1.704) 4.471 7.090 ( -6.537 0.072 0.984) 6.611 7.226 ( 0.687 6.711 -2.956) 7.365 7.301 ( -3.029 3.570 -1.975) 5.081 7.442 ( -2.034 1.691 1.377) 2.982 7.550 ( -4.339 -5.185 -6.794) 9.585 7.709 ( 0.081 4.035 4.645) 6.153 7.781 ( 4.298 1.827 -2.091) 5.117 7.937 ( 6.826 -5.125 3.388) 9.184 8.191 ( -1.861 -7.343 -6.090) 9.719 8.925 ( 0.235 0.579 1.488) 1.614 8.990 ( 0.096 0.902 -5.644) 5.716 9.572 ( 1.687 -1.144 7.297) 7.576 9.661 ( 1.820 -2.310 -1.533) 3.317 10.177 ( 1.463 0.545 0.819) 1.763 10.315 ( -3.408 0.950 -7.053) 7.891 10.477 ( 3.903 0.360 6.847) 7.889 10.633 ( -1.359 -0.013 -2.290) 2.663 11.982 ( 0.205 0.067 1.552) 1.567 12.028 ( -0.364 0.089 -1.508) 1.554 13.745 ( 1.112 0.139 -0.335) 1.170 13.778 ( -0.891 -0.375 -1.748) 1.998 13.954 ( 2.617 -0.699 4.140) 4.947 13.974 ( 0.301 -0.410 0.993) 1.115 14.122 ( 2.185 -5.026 13.204) 14.296 14.413 ( -2.709 -4.371 1.532) 5.366 14.573 ( -2.136 -1.403 0.662) 2.640 14.763 ( 0.856 -5.683 -16.773) 17.731 15.416 ( 1.671 0.539 5.693) 5.958 15.491 ( 2.972 2.086 -0.938) 3.750 15.698 ( -0.178 1.037 1.869) 2.145 15.769 ( -2.043 1.577 -1.774) 3.131 16.062 ( -2.142 1.138 -0.468) 2.470 16.075 ( -2.051 1.816 0.509) 2.786 16.613 ( 1.359 -6.133 4.316) 7.621 16.797 ( -0.802 -4.615 -8.988) 10.135 17.531 ( 0.655 -1.210 4.308) 4.522 17.590 ( 1.500 -1.607 -1.801) 2.842 20.331 ( 2.659 -2.210 11.738) 12.237 20.625 ( -0.991 -4.969 -8.638) 10.015 21.604 ( 1.819 2.668 4.009) 5.147 21.738 ( 0.118 0.763 -4.704) 4.767 25.296 ( 4.902 -14.820 20.161) 25.497 25.832 ( 2.617 -32.901 -18.930) 38.048 27.998 ( 2.773 -7.979 3.423) 9.114 28.096 ( 0.479 -7.955 -2.311) 8.298 28.788 ( 1.495 -3.550 0.654) 3.907 28.821 ( 0.391 -4.667 -0.732) 4.740 29.298 ( 0.300 -0.091 0.458) 0.555 29.316 ( -0.178 -0.303 -0.443) 0.565 31.934 ( 0.788 5.043 0.576) 5.137 31.950 ( 0.761 4.652 -0.592) 4.751 32.658 ( 0.633 1.942 0.435) 2.088 32.731 ( -5.848 2.495 -0.508) 6.378 32.845 ( -0.761 2.964 0.364) 3.082 32.892 ( -4.665 3.881 -0.353) 6.078 33.596 ( 0.754 12.693 2.966) 13.056 33.738 ( -1.743 13.441 -6.523) 15.041 34.430 ( 1.742 12.097 17.329) 21.205 34.754 ( 9.624 5.706 -13.999) 17.921 35.326 ( -2.746 3.952 -1.637) 5.083 35.410 ( -13.552 -0.381 0.420) 13.564 ======================= Grid point 146 (57/102) ======================= q-point: (-0.09 0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 11.738 -2.364 28.797) 31.188 1.044 ( 0.403 -1.167 -3.205) 3.435 1.125 ( -3.908 24.829 10.615) 27.285 1.363 ( 7.394 18.292 -5.514) 20.486 1.489 ( -12.101 18.337 -4.295) 22.386 1.671 ( 2.687 21.179 -8.845) 23.109 1.807 ( -7.601 16.528 -4.318) 18.698 1.872 ( 8.866 14.000 -6.340) 17.743 2.013 ( -2.105 20.913 18.628) 28.085 2.295 ( -3.816 6.156 -5.132) 8.876 2.477 ( 5.460 12.555 8.438) 16.082 2.591 ( -0.221 11.214 -4.334) 12.025 2.648 ( 6.964 10.147 -5.920) 13.656 2.785 ( -6.259 10.509 -13.985) 18.580 3.155 ( -5.698 1.355 7.695) 9.671 3.280 ( 2.814 -3.174 -4.696) 6.328 3.418 ( -5.874 -0.002 3.450) 6.812 3.495 ( 5.781 0.803 -4.193) 7.187 3.686 ( -1.492 0.036 1.969) 2.471 3.796 ( -0.310 -5.461 0.462) 5.489 3.835 ( 6.693 -5.857 6.181) 10.830 3.985 ( -3.133 -7.809 1.780) 8.600 4.011 ( -9.369 -8.406 -2.103) 12.762 4.073 ( 10.693 -5.412 -2.826) 12.314 4.267 ( 1.351 -5.658 4.229) 7.192 4.337 ( -0.398 -9.661 -3.861) 10.411 4.613 ( -3.354 -13.747 6.099) 15.408 4.682 ( 0.995 -16.702 -0.115) 16.732 4.910 ( -7.093 -14.840 1.020) 16.480 4.961 ( 8.144 -13.085 -2.546) 15.621 5.232 ( 2.621 1.253 3.106) 4.253 5.247 ( -4.544 0.471 1.248) 4.736 5.526 ( 2.705 4.525 7.655) 9.295 5.642 ( 1.325 -3.094 0.602) 3.419 5.716 ( -0.397 -5.247 -1.666) 5.519 5.757 ( -3.017 -0.521 -8.985) 9.492 6.138 ( -1.968 3.285 -0.545) 3.868 6.223 ( 3.810 7.129 -7.779) 11.218 6.429 ( -1.469 2.095 2.287) 3.432 6.441 ( 1.857 0.744 0.980) 2.228 6.585 ( -0.379 -1.532 4.206) 4.493 6.628 ( 1.311 5.996 -0.987) 6.216 6.666 ( -2.338 8.869 7.393) 11.780 6.752 ( 0.527 6.970 3.135) 7.661 6.851 ( -0.297 -1.362 -0.821) 1.617 6.901 ( -1.987 1.329 -2.367) 3.364 6.964 ( 6.939 2.979 5.656) 9.434 7.052 ( -6.055 -1.216 1.696) 6.405 7.126 ( 2.522 5.280 -0.984) 5.934 7.241 ( -1.304 -0.929 -7.465) 7.635 7.409 ( 1.977 1.942 5.793) 6.422 7.523 ( -3.366 3.729 -3.980) 6.409 7.601 ( -0.083 7.353 1.041) 7.427 7.721 ( -0.760 7.937 -14.262) 16.340 8.163 ( 4.938 -10.751 7.242) 13.871 8.292 ( -5.366 -11.386 -7.673) 14.742 8.916 ( -0.147 0.646 0.152) 0.680 8.961 ( 0.735 2.013 -5.970) 6.343 9.609 ( 1.012 -0.058 7.220) 7.291 9.691 ( -0.387 -0.327 -2.054) 2.116 10.175 ( 1.316 1.315 1.711) 2.528 10.244 ( -3.452 2.291 -5.683) 7.033 10.508 ( 3.439 1.212 6.930) 7.831 10.608 ( -2.301 0.644 -3.658) 4.369 11.985 ( 0.255 0.170 1.699) 1.727 12.020 ( -0.334 0.190 -1.776) 1.817 13.749 ( 0.256 0.336 0.289) 0.511 13.773 ( -0.211 -0.088 -1.809) 1.824 13.972 ( -0.140 -0.707 1.231) 1.427 13.991 ( 0.927 -0.348 -0.676) 1.199 14.349 ( 6.617 -13.256 21.769) 26.333 14.466 ( -0.395 -4.513 4.630) 6.478 14.580 ( -2.998 -2.478 3.970) 5.558 14.884 ( -1.899 -10.859 -15.851) 19.308 15.425 ( 0.305 0.395 3.930) 3.961 15.477 ( 0.983 1.925 -1.293) 2.518 15.687 ( 0.950 0.808 1.874) 2.251 15.726 ( -1.002 1.302 -2.016) 2.600 16.030 ( -0.401 1.044 0.325) 1.165 16.035 ( -0.049 1.115 -0.177) 1.130 16.765 ( 0.693 -9.841 2.331) 10.137 16.861 ( -1.180 -5.464 -8.299) 10.006 17.559 ( -0.982 -1.589 5.980) 6.265 17.629 ( 0.790 -1.738 -2.050) 2.802 20.438 ( 2.830 -5.790 17.104) 18.278 20.688 ( -1.886 -5.491 -9.125) 10.816 21.581 ( 1.348 2.679 4.849) 5.702 21.702 ( -1.521 2.308 -7.593) 8.080 25.767 ( 7.425 -33.003 45.099) 56.376 26.514 ( -7.384 -51.811 -31.445) 61.055 28.160 ( 1.746 -7.396 3.163) 8.231 28.211 ( -1.215 -5.966 -2.132) 6.451 28.889 ( 1.293 -6.668 1.299) 6.915 28.916 ( -1.219 -6.651 -1.390) 6.904 29.302 ( 0.031 -0.137 0.807) 0.819 29.318 ( -0.031 -0.186 -0.773) 0.796 31.838 ( -0.450 6.938 1.275) 7.068 31.864 ( 0.511 5.744 -1.378) 5.929 32.639 ( -0.959 0.691 1.104) 1.618 32.663 ( 1.106 1.085 -1.251) 1.991 32.791 ( -0.536 2.673 1.075) 2.931 32.812 ( 0.438 2.595 -1.077) 2.844 33.385 ( 1.037 12.877 2.767) 13.212 33.463 ( -1.800 15.158 -5.736) 16.306 34.164 ( -0.124 23.740 23.308) 33.270 34.672 ( 7.169 13.617 -29.611) 33.371 35.263 ( -13.165 1.929 1.647) 13.408 35.278 ( 6.047 2.402 -0.346) 6.516 ======================= Grid point 149 (58/102) ======================= q-point: ( 0.18 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 5.560 0.000 -16.499) 17.411 1.032 ( 5.468 0.000 20.840) 21.546 1.255 ( 18.324 0.000 -13.903) 23.001 1.296 ( 22.685 0.000 14.025) 26.671 1.809 ( 19.800 0.000 -7.067) 21.024 1.862 ( -4.249 -0.000 -6.340) 7.633 1.934 ( 14.512 0.000 -18.583) 23.578 2.131 ( 16.650 0.000 11.257) 20.099 2.296 ( 7.174 0.000 1.614) 7.354 2.374 ( 12.510 0.000 5.826) 13.800 2.406 ( 21.799 0.000 -15.985) 27.031 2.494 ( 9.267 0.000 14.173) 16.934 2.612 ( 16.683 0.000 1.447) 16.745 2.730 ( 20.740 0.000 -1.137) 20.771 3.057 ( 7.642 0.000 12.173) 14.374 3.167 ( -4.703 -0.000 0.150) 4.705 3.386 ( -0.784 -0.000 -2.449) 2.571 3.492 ( -5.432 -0.000 -1.677) 5.685 3.543 ( -1.063 -0.000 2.792) 2.988 3.705 ( -0.497 -0.000 -4.248) 4.277 3.812 ( -8.085 -0.000 -3.489) 8.806 3.998 ( -9.297 -0.000 6.236) 11.195 4.107 ( -5.286 -0.000 -2.624) 5.902 4.236 ( -3.207 -0.000 -5.820) 6.645 4.442 ( 2.735 0.000 6.183) 6.761 4.679 ( 4.821 0.000 -2.338) 5.358 4.823 ( -13.137 -0.000 -0.806) 13.161 4.977 ( -9.419 -0.000 -0.158) 9.420 5.034 ( -5.803 -0.000 1.716) 6.051 5.094 ( -3.966 -0.000 -1.831) 4.368 5.221 ( -1.649 -0.000 7.316) 7.499 5.504 ( 0.139 0.000 -10.732) 10.733 5.578 ( -3.177 -0.000 1.322) 3.441 5.631 ( -7.939 -0.000 5.442) 9.625 5.661 ( -3.554 -0.000 0.584) 3.602 5.708 ( -3.754 -0.000 -7.511) 8.397 5.817 ( -7.008 -0.000 1.612) 7.191 5.965 ( 2.347 0.000 7.439) 7.801 6.007 ( 1.091 0.000 5.185) 5.299 6.056 ( 0.731 0.000 -14.797) 14.815 6.268 ( -0.526 -0.000 3.435) 3.475 6.568 ( -2.692 -0.000 -3.252) 4.221 6.660 ( -4.918 -0.000 -6.106) 7.841 6.660 ( -2.119 -0.000 8.103) 8.376 6.876 ( 2.379 0.000 0.738) 2.490 6.882 ( 6.052 0.000 4.525) 7.557 6.947 ( 1.155 0.000 0.316) 1.198 7.153 ( -5.435 -0.000 1.221) 5.571 7.220 ( 5.418 0.000 0.510) 5.442 7.286 ( 4.245 0.000 0.695) 4.301 7.409 ( 14.082 0.000 3.506) 14.512 7.464 ( 7.281 0.000 -10.664) 12.913 7.694 ( 5.770 0.000 -1.121) 5.878 7.826 ( 3.051 0.000 10.878) 11.298 8.311 ( -9.444 -0.000 -9.850) 13.646 8.357 ( -7.197 -0.000 4.661) 8.575 8.885 ( -3.080 -0.000 -4.347) 5.328 9.083 ( 6.113 0.000 0.569) 6.140 9.468 ( -7.168 -0.000 -4.104) 8.260 9.499 ( -3.270 -0.000 5.207) 6.149 10.119 ( -1.623 -0.000 -0.243) 1.641 10.166 ( -0.554 -0.000 1.861) 1.942 10.490 ( -0.317 -0.000 -4.267) 4.279 10.568 ( 0.095 0.000 4.469) 4.470 12.005 ( 0.237 0.000 1.796) 1.812 12.018 ( 0.758 0.000 -2.433) 2.548 13.736 ( -0.329 -0.000 -0.032) 0.331 13.801 ( 1.940 0.000 -2.465) 3.137 13.974 ( -1.813 -0.000 -3.920) 4.319 14.026 ( 1.317 0.000 0.676) 1.480 14.470 ( -1.467 -0.000 5.016) 5.226 14.478 ( -7.315 -0.000 -18.444) 19.841 14.614 ( -3.815 -0.000 -10.173) 10.865 14.689 ( -12.359 -0.000 29.010) 31.533 15.397 ( -0.152 -0.000 2.671) 2.675 15.452 ( 1.434 0.000 -1.937) 2.410 15.747 ( 3.496 0.000 -2.323) 4.198 15.789 ( 3.786 0.000 1.761) 4.176 16.223 ( 2.565 0.000 -12.662) 12.919 16.252 ( 6.508 0.000 11.012) 12.791 16.832 ( -6.677 -0.000 -0.381) 6.688 16.836 ( -7.030 -0.000 0.085) 7.031 17.442 ( -5.324 -0.000 2.884) 6.055 17.525 ( -5.243 -0.000 -1.171) 5.373 20.544 ( -9.049 -0.000 -13.448) 16.209 20.578 ( -4.889 -0.000 14.316) 15.128 21.417 ( -2.064 -0.000 -3.035) 3.670 21.458 ( -0.151 -0.000 3.278) 3.281 26.000 ( -34.315 -0.000 -34.930) 48.966 26.103 ( -41.528 -0.000 41.232) 58.520 28.102 ( -7.625 -0.000 -3.316) 8.314 28.197 ( -7.167 -0.000 1.879) 7.409 28.828 ( -6.293 -0.000 -2.154) 6.652 28.906 ( -8.114 -0.000 1.880) 8.329 29.279 ( -0.761 -0.000 -0.757) 1.073 29.323 ( -0.244 -0.000 0.624) 0.670 31.675 ( 2.827 0.000 -0.115) 2.829 31.684 ( 2.750 0.000 0.107) 2.752 32.940 ( 8.986 0.000 -0.088) 8.986 32.986 ( 8.494 0.000 0.080) 8.494 33.146 ( 3.575 0.000 0.625) 3.630 33.225 ( 2.934 0.000 -0.762) 3.032 33.250 ( 4.299 0.000 -0.157) 4.301 33.251 ( 3.955 0.000 -0.483) 3.984 33.642 ( 15.573 0.000 6.658) 16.936 33.862 ( 13.328 0.000 -6.965) 15.038 35.822 ( 16.668 0.000 -17.722) 24.329 35.992 ( 11.576 0.000 16.486) 20.144 ======================= Grid point 150 (59/102) ======================= q-point: ( 0.27 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 6.638 11.849 0.594) 13.595 1.213 ( 7.737 -8.336 4.950) 12.404 1.462 ( 19.291 -4.675 -2.603) 20.019 1.661 ( 18.451 -14.277 1.583) 23.383 1.762 ( -2.690 5.110 -10.984) 12.409 1.959 ( 6.406 -4.900 -10.226) 13.024 2.148 ( 10.755 -10.635 -10.493) 18.408 2.203 ( 9.501 5.270 8.710) 13.925 2.366 ( 0.412 -5.112 6.159) 8.015 2.512 ( 3.755 -5.101 0.800) 6.384 2.650 ( 24.971 -5.893 1.109) 25.681 2.729 ( 15.982 -2.461 -0.391) 16.175 2.815 ( 13.687 -8.091 4.247) 16.457 2.946 ( 16.351 -0.925 0.483) 16.384 3.150 ( 1.345 -0.722 2.304) 2.764 3.196 ( 18.212 -0.351 7.188) 19.582 3.339 ( 0.245 3.435 -2.045) 4.005 3.462 ( -4.638 -1.623 -0.706) 4.964 3.512 ( -1.223 4.031 0.803) 4.288 3.681 ( -7.753 1.366 -1.397) 7.996 3.727 ( -2.312 1.501 0.520) 2.805 3.921 ( -7.340 -2.500 4.127) 8.784 4.043 ( -3.818 1.862 -7.816) 8.895 4.151 ( -10.666 1.812 -4.712) 11.801 4.482 ( 6.688 1.683 8.106) 10.643 4.597 ( -3.092 9.125 -0.235) 9.637 4.686 ( -4.850 6.464 4.382) 9.193 4.757 ( -4.314 12.691 -1.125) 13.451 4.881 ( -3.170 10.952 -4.700) 12.332 4.967 ( -1.040 6.235 -2.482) 6.791 5.174 ( 4.507 3.000 6.525) 8.478 5.440 ( -1.459 3.524 -4.104) 5.603 5.541 ( -2.098 0.370 3.403) 4.015 5.569 ( -2.769 -1.699 -8.058) 8.688 5.716 ( 1.036 1.977 -1.810) 2.874 5.810 ( -3.344 -6.140 5.568) 8.937 5.846 ( -10.371 -13.195 -0.079) 16.783 5.947 ( 0.905 0.078 -4.000) 4.102 6.022 ( -5.836 -7.487 3.531) 10.129 6.165 ( 0.194 -3.803 -3.466) 5.149 6.341 ( -4.082 -7.879 3.697) 9.612 6.520 ( -2.858 5.244 -1.836) 6.248 6.578 ( -3.086 -4.454 -3.517) 6.460 6.722 ( -0.864 -3.697 3.115) 4.911 6.812 ( 3.860 4.830 0.142) 6.184 6.917 ( 0.640 -3.685 -3.633) 5.214 7.066 ( 0.430 -6.223 8.734) 10.733 7.148 ( -1.266 0.191 -0.650) 1.436 7.255 ( -2.776 -3.409 -2.197) 4.915 7.349 ( 3.647 -1.505 0.412) 3.967 7.515 ( 9.972 0.224 0.529) 9.989 7.553 ( 4.944 -1.659 -0.830) 5.281 7.720 ( 5.681 2.507 -0.454) 6.226 7.835 ( 0.727 1.539 5.957) 6.195 8.126 ( -5.988 8.608 -2.788) 10.850 8.275 ( -7.915 2.890 -0.902) 8.474 8.864 ( -1.769 -0.989 -3.926) 4.418 9.096 ( 4.233 3.364 0.959) 5.491 9.407 ( -7.281 -1.385 -3.187) 8.068 9.494 ( -4.256 -1.894 2.727) 5.398 10.108 ( -1.271 -0.279 0.286) 1.332 10.180 ( -1.558 -2.348 1.132) 3.037 10.482 ( 0.159 0.539 -1.920) 2.000 10.578 ( -0.985 -0.962 3.444) 3.709 12.009 ( 0.138 -0.063 1.249) 1.258 12.021 ( 0.697 0.149 -2.280) 2.389 13.731 ( 0.098 0.140 -1.904) 1.912 13.818 ( 1.942 0.068 -1.854) 2.686 13.945 ( -1.876 0.628 -4.315) 4.747 14.036 ( 1.329 0.400 0.826) 1.615 14.339 ( -2.658 4.735 -11.486) 12.705 14.502 ( -2.285 -1.951 2.548) 3.939 14.554 ( -4.921 3.143 11.926) 13.279 14.631 ( -3.773 -0.974 3.270) 5.087 15.392 ( -0.248 0.665 2.682) 2.774 15.443 ( 1.445 2.033 -1.995) 3.194 15.780 ( 3.980 0.086 -2.000) 4.455 15.830 ( 3.561 -0.321 2.030) 4.112 16.219 ( 1.693 0.824 -10.652) 10.817 16.291 ( 5.181 2.822 8.012) 9.950 16.744 ( -5.219 2.920 -2.942) 6.665 16.762 ( -4.635 1.700 3.927) 6.308 17.399 ( -4.350 -0.095 1.786) 4.703 17.490 ( -4.422 -1.351 -0.846) 4.700 20.437 ( -5.971 1.742 -12.815) 14.245 20.542 ( -3.354 1.256 12.644) 13.141 21.428 ( -1.488 -3.389 -3.970) 5.428 21.501 ( -0.834 -4.076 3.739) 5.593 25.621 ( -20.281 8.577 -22.718) 31.638 25.715 ( -25.566 10.062 25.202) 37.282 28.004 ( -7.823 2.264 -3.841) 9.004 28.099 ( -8.593 2.877 2.803) 9.486 28.767 ( -3.931 0.914 -1.851) 4.440 28.821 ( -5.458 1.829 1.842) 6.043 29.274 ( -0.544 -0.213 -0.830) 1.015 29.321 ( -0.557 -0.076 0.693) 0.892 31.737 ( 2.263 -3.759 -0.231) 4.394 31.746 ( 2.048 -3.812 0.231) 4.334 32.966 ( 7.117 5.771 -0.018) 9.163 33.082 ( 7.856 -1.061 -0.245) 7.932 33.163 ( 6.601 0.415 0.284) 6.620 33.221 ( 7.708 4.463 -0.271) 8.910 33.279 ( 4.011 -2.936 0.484) 4.994 33.375 ( 5.284 -6.687 -0.371) 8.531 33.901 ( 6.486 -13.167 2.895) 14.961 34.069 ( 4.103 -10.389 -2.759) 11.505 35.895 ( 12.637 4.858 -11.649) 17.860 36.042 ( 7.586 5.776 11.232) 14.733 ======================= Grid point 151 (60/102) ======================= q-point: ( 0.36 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 8.660 4.593 5.970) 11.477 1.420 ( 10.423 -4.591 2.060) 11.574 1.615 ( -4.136 4.879 -14.956) 16.266 1.678 ( 16.291 1.778 -1.672) 16.473 2.004 ( 13.581 -4.954 2.545) 14.678 2.162 ( 10.770 -7.730 -6.317) 14.685 2.241 ( 7.482 -2.163 6.917) 10.416 2.394 ( 7.311 -9.213 -4.113) 12.460 2.507 ( -0.403 -11.433 0.518) 11.452 2.633 ( -0.048 -5.774 0.152) 5.777 2.827 ( 5.250 0.073 0.608) 5.286 2.942 ( 12.056 -3.359 3.009) 12.871 3.019 ( 1.694 2.854 1.544) 3.660 3.060 ( 4.524 -6.277 5.016) 9.221 3.186 ( 5.418 0.942 3.540) 6.540 3.273 ( 3.809 3.818 -4.208) 6.840 3.322 ( -1.826 2.435 -0.701) 3.124 3.421 ( 8.597 2.691 -2.606) 9.378 3.490 ( 0.662 -2.216 0.587) 2.386 3.622 ( 3.957 2.340 10.386) 11.358 3.657 ( -6.848 0.776 -1.990) 7.173 3.872 ( -10.636 4.800 -7.345) 13.788 3.925 ( -9.575 -2.801 1.501) 10.089 4.113 ( 0.622 -0.960 -5.856) 5.967 4.296 ( -4.438 10.670 1.415) 11.643 4.485 ( 6.218 7.469 10.715) 14.466 4.621 ( 2.299 2.994 -2.409) 4.478 4.681 ( 6.707 -2.163 1.207) 7.150 4.744 ( 5.935 5.316 -6.266) 10.137 4.903 ( 3.023 2.894 0.025) 4.185 5.195 ( 4.463 0.958 5.731) 7.327 5.315 ( -2.097 7.985 -2.626) 8.663 5.540 ( -0.274 -0.807 3.495) 3.598 5.593 ( 0.918 -1.763 -1.867) 2.727 5.609 ( 2.194 10.076 -1.155) 10.377 5.810 ( -3.779 -0.256 -2.430) 4.500 5.948 ( -7.440 -6.286 -4.512) 10.734 6.009 ( -5.924 -6.143 0.206) 8.536 6.093 ( -5.053 -6.165 5.958) 9.952 6.163 ( -8.327 -3.975 -3.838) 9.993 6.403 ( -1.291 -3.638 -2.132) 4.410 6.482 ( -2.029 -3.420 -2.912) 4.929 6.656 ( 0.254 -5.914 1.365) 6.075 6.784 ( -1.081 -4.215 4.049) 5.944 6.840 ( 0.018 -3.920 -0.439) 3.944 6.989 ( 0.405 -2.206 -0.491) 2.296 7.099 ( -0.031 0.926 -3.585) 3.703 7.181 ( 1.059 -3.516 8.113) 8.906 7.267 ( -6.991 -3.786 -3.841) 8.830 7.359 ( 0.179 2.515 0.121) 2.525 7.544 ( 3.317 4.761 2.957) 6.512 7.597 ( 0.577 -1.496 -0.788) 1.786 7.738 ( 6.718 2.750 1.371) 7.387 7.821 ( 0.827 1.089 0.882) 1.628 7.946 ( -1.177 7.649 -0.214) 7.742 8.139 ( -6.019 4.161 -1.981) 7.580 8.871 ( -0.468 -1.418 -1.723) 2.280 9.075 ( 2.627 2.746 -0.028) 3.801 9.378 ( -5.755 -2.920 -1.423) 6.609 9.477 ( -4.728 -0.952 0.544) 4.853 10.104 ( -0.933 -0.444 0.675) 1.234 10.211 ( -2.010 -3.133 -0.353) 3.739 10.469 ( 0.291 1.088 0.573) 1.264 10.587 ( -1.578 -1.139 2.023) 2.807 12.013 ( -0.148 -0.196 0.916) 0.948 12.021 ( 0.768 0.373 -2.146) 2.310 13.732 ( 0.770 0.011 -3.091) 3.186 13.826 ( 1.595 0.813 -0.950) 2.027 13.912 ( -1.248 0.946 -3.201) 3.564 14.037 ( 1.195 0.987 1.139) 1.923 14.246 ( 0.354 3.821 -7.115) 8.084 14.437 ( -4.867 4.694 18.068) 19.292 14.535 ( -1.006 -1.492 -0.477) 1.862 14.633 ( -1.403 -1.778 -4.849) 5.352 15.381 ( -0.244 0.586 1.867) 1.972 15.420 ( 1.376 1.575 -1.421) 2.528 15.811 ( 3.752 0.380 -1.428) 4.033 15.865 ( 2.673 0.014 2.304) 3.529 16.211 ( 1.469 0.465 -7.648) 7.802 16.285 ( 3.834 3.378 3.876) 6.414 16.644 ( -3.293 3.358 -4.165) 6.283 16.707 ( -2.789 1.566 6.308) 7.073 17.374 ( -3.017 -0.830 1.429) 3.440 17.481 ( -3.409 -1.836 -0.926) 3.981 20.354 ( -3.090 1.429 -10.059) 10.619 20.503 ( -2.812 1.478 9.799) 10.301 21.484 ( -0.797 -4.703 -3.658) 6.012 21.569 ( -1.466 -4.435 3.214) 5.670 25.305 ( -10.500 8.993 -12.788) 18.833 25.389 ( -13.686 8.890 13.775) 21.356 27.882 ( -6.458 3.339 -3.449) 8.047 27.963 ( -7.627 3.981 2.877) 9.071 28.724 ( -1.824 0.698 -1.205) 2.295 28.760 ( -2.675 1.151 1.254) 3.171 29.274 ( -0.258 -0.302 -0.776) 0.872 29.317 ( -0.661 -0.024 0.665) 0.938 31.827 ( 1.240 -4.646 -0.287) 4.817 31.835 ( 1.220 -4.635 0.289) 4.801 32.927 ( 6.927 5.837 0.087) 9.059 33.129 ( 5.177 2.647 -0.422) 5.829 33.212 ( 10.167 5.348 0.123) 11.488 33.255 ( 8.621 -0.486 0.020) 8.635 33.433 ( 2.472 -10.122 0.216) 10.422 33.560 ( 2.254 -10.710 0.094) 10.945 34.163 ( 0.501 -13.321 1.073) 13.374 34.234 ( -1.531 -7.948 -1.071) 8.164 35.888 ( 9.532 6.717 -6.235) 13.223 35.991 ( 5.506 8.129 6.103) 11.561 ======================= Grid point 152 (61/102) ======================= q-point: ( 0.45 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 6.608 -3.554 12.426) 14.516 1.464 ( 0.817 5.982 -15.574) 16.703 1.539 ( 10.589 6.065 3.271) 12.634 1.742 ( 8.855 -0.024 -3.424) 9.494 2.186 ( 9.653 3.227 -0.573) 10.194 2.221 ( 8.160 2.068 -2.823) 8.878 2.373 ( 7.078 2.369 5.530) 9.289 2.528 ( -0.480 2.637 1.027) 2.870 2.619 ( 1.689 1.783 2.291) 3.359 2.722 ( 0.411 -7.606 -3.154) 8.244 2.862 ( 1.820 -1.893 -4.026) 4.807 2.946 ( -0.510 0.850 2.069) 2.294 3.031 ( -0.833 -2.402 2.060) 3.272 3.157 ( 4.071 0.514 4.495) 6.087 3.182 ( -5.082 -5.613 3.277) 8.251 3.226 ( 4.480 3.987 -4.730) 7.638 3.294 ( 0.015 0.856 1.657) 1.865 3.485 ( 6.018 -0.104 -0.023) 6.019 3.544 ( -1.748 -3.592 -0.727) 4.061 3.588 ( -6.779 -1.161 -2.011) 7.166 3.728 ( 9.770 -4.910 2.267) 11.167 3.762 ( -5.533 0.401 -2.888) 6.254 3.904 ( -5.315 -2.332 3.114) 6.587 3.964 ( -6.802 1.104 -0.656) 6.922 4.313 ( 5.069 0.390 -5.584) 7.552 4.417 ( 2.400 6.403 6.490) 9.427 4.588 ( 3.202 5.027 -3.281) 6.804 4.722 ( -3.733 1.540 3.222) 5.166 4.809 ( 7.374 -0.261 1.460) 7.522 4.926 ( 12.294 0.394 -4.352) 13.047 5.141 ( 1.817 8.590 -1.416) 8.894 5.270 ( 2.113 -2.834 6.595) 7.483 5.460 ( 2.370 6.747 -1.778) 7.369 5.558 ( 0.697 1.105 1.713) 2.154 5.641 ( 0.423 -3.800 1.022) 3.958 5.811 ( -0.863 -2.527 -2.100) 3.397 5.887 ( -7.283 0.433 -5.638) 9.220 6.015 ( -8.497 -3.827 5.053) 10.601 6.186 ( -2.243 -3.601 -1.668) 4.559 6.195 ( -1.160 -8.335 -0.983) 8.473 6.460 ( -2.504 -4.804 -3.810) 6.622 6.551 ( -0.197 -5.125 -0.214) 5.133 6.742 ( -0.506 -2.489 1.630) 3.018 6.792 ( -4.753 2.400 1.988) 5.684 6.901 ( 0.454 -5.622 2.038) 5.997 7.001 ( 0.745 0.418 -0.155) 0.868 7.111 ( -4.598 -2.636 -4.226) 6.779 7.212 ( -1.565 -0.219 2.058) 2.595 7.275 ( 3.196 1.766 2.429) 4.386 7.296 ( -5.377 -0.843 -1.869) 5.754 7.501 ( 2.655 2.672 1.070) 3.915 7.587 ( -1.638 1.305 -0.332) 2.120 7.742 ( 4.559 3.072 1.053) 5.597 7.808 ( 0.019 1.402 1.143) 1.809 7.857 ( 1.493 3.282 -0.588) 3.654 8.031 ( -3.960 2.881 -1.517) 5.127 8.898 ( 0.786 -1.478 0.113) 1.677 9.050 ( 1.028 2.135 -1.187) 2.651 9.390 ( -3.638 -3.178 1.434) 5.039 9.451 ( -3.887 -1.407 -1.494) 4.396 10.106 ( -0.556 -0.536 0.960) 1.232 10.245 ( -1.835 -3.110 -2.576) 4.436 10.454 ( 0.592 1.287 2.714) 3.061 10.593 ( -1.582 -1.252 0.844) 2.187 12.011 ( -0.134 0.316 -0.611) 0.701 12.022 ( 0.422 -0.039 -0.637) 0.765 13.736 ( 1.087 0.067 -3.197) 3.377 13.818 ( 1.157 1.447 -0.484) 1.914 13.886 ( -0.229 0.973 -0.653) 1.194 14.028 ( 0.965 1.503 1.629) 2.417 14.191 ( 1.210 2.998 -4.418) 5.475 14.336 ( -4.740 3.754 12.367) 13.766 14.549 ( -0.286 -0.921 -0.490) 1.082 14.647 ( -0.849 -1.748 -5.251) 5.599 15.377 ( 0.256 -0.046 1.383) 1.407 15.420 ( 0.911 -0.376 -0.760) 1.244 15.829 ( 3.003 1.140 -1.254) 3.449 15.882 ( 1.385 0.516 2.813) 3.178 16.212 ( 1.239 0.240 -4.760) 4.925 16.262 ( 2.369 3.062 1.082) 4.019 16.564 ( -1.441 2.875 -3.317) 4.620 16.667 ( -1.990 1.221 5.288) 5.781 17.374 ( -1.658 -1.583 1.678) 2.840 17.483 ( -2.400 -1.734 -1.355) 3.256 20.304 ( -1.102 1.063 -6.403) 6.584 20.464 ( -2.581 1.152 6.201) 6.815 21.556 ( -0.078 -4.500 -2.460) 5.129 21.627 ( -1.426 -3.616 2.166) 4.450 25.089 ( -4.766 6.810 -5.975) 10.237 25.188 ( -6.734 5.137 6.435) 10.637 27.774 ( -4.156 2.751 -2.251) 5.469 27.845 ( -5.237 2.826 1.940) 6.259 28.704 ( -0.583 0.318 -0.654) 0.932 28.730 ( -1.215 0.450 0.693) 1.469 29.277 ( 0.031 -0.278 -0.627) 0.687 29.311 ( -0.608 0.017 0.555) 0.823 31.911 ( 0.767 -4.087 -0.080) 4.159 31.921 ( 0.736 -4.192 0.078) 4.257 32.899 ( 6.227 4.942 0.168) 7.952 33.106 ( 3.018 4.147 -0.374) 5.142 33.206 ( 8.440 6.010 0.047) 10.362 33.316 ( 6.719 2.362 0.015) 7.122 33.635 ( 1.426 -10.687 0.370) 10.789 33.773 ( 0.428 -12.424 -0.089) 12.432 34.324 ( -2.967 -5.838 -0.301) 6.556 34.367 ( -1.843 -11.539 0.221) 11.688 35.837 ( 6.278 7.244 -3.072) 10.066 35.896 ( 3.485 8.403 3.039) 9.592 ======================= Grid point 153 (62/102) ======================= q-point: ( 0.55 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 9.585 -0.724 11.913) 15.308 1.387 ( -0.661 0.508 -10.759) 10.791 1.548 ( 13.860 3.249 1.157) 14.283 1.823 ( 5.793 1.774 1.618) 6.270 2.049 ( 2.842 12.256 -3.984) 13.197 2.176 ( 9.326 13.151 -5.301) 16.972 2.295 ( 1.794 7.255 1.070) 7.550 2.510 ( -1.550 -4.555 10.810) 11.833 2.663 ( 0.197 -0.871 0.831) 1.220 2.773 ( 1.950 -0.317 -8.711) 8.932 2.924 ( 2.404 0.380 1.673) 2.953 2.965 ( 1.970 -3.863 -8.897) 9.897 3.044 ( -5.271 -1.072 -2.950) 6.135 3.150 ( 0.077 1.795 7.142) 7.364 3.169 ( 4.505 4.347 4.740) 7.853 3.253 ( 1.501 2.171 7.600) 8.045 3.308 ( -1.433 -2.114 -2.268) 3.415 3.535 ( -0.480 -2.211 -3.974) 4.573 3.553 ( -0.278 2.690 4.687) 5.411 3.613 ( -4.226 -3.803 -6.163) 8.384 3.699 ( -6.218 -9.315 1.604) 11.314 3.890 ( 2.891 -3.407 0.919) 4.562 3.961 ( 2.821 -2.735 1.692) 4.278 4.008 ( 1.403 -7.560 -2.939) 8.232 4.244 ( -1.567 8.595 3.809) 9.531 4.351 ( -2.627 1.953 -2.594) 4.176 4.441 ( -4.208 11.681 -0.753) 12.439 4.600 ( -6.112 3.582 0.178) 7.087 4.843 ( 6.029 1.947 0.284) 6.342 5.032 ( 3.129 2.883 0.050) 4.255 5.062 ( 9.851 3.587 -2.097) 10.691 5.334 ( -0.983 -1.533 4.951) 5.275 5.434 ( 2.740 -0.881 -1.928) 3.464 5.542 ( -1.117 0.166 -3.139) 3.335 5.729 ( 1.111 -4.059 2.667) 4.982 5.823 ( -0.638 -1.746 1.084) 2.152 5.870 ( -3.664 -4.843 -0.306) 6.081 6.071 ( -2.355 -7.536 0.647) 7.922 6.184 ( -2.675 -0.929 -0.979) 2.996 6.355 ( 2.621 -7.943 0.304) 8.370 6.499 ( -2.492 -0.504 -7.593) 8.008 6.553 ( -2.246 3.333 7.141) 8.194 6.694 ( -0.791 2.496 -4.589) 5.284 6.799 ( 0.572 -2.779 2.575) 3.832 6.951 ( -0.751 -0.503 -0.340) 0.966 7.013 ( -2.492 -2.840 3.226) 4.968 7.099 ( -2.900 -0.827 -2.547) 3.947 7.166 ( -3.095 2.307 1.758) 4.241 7.254 ( 0.514 0.825 -0.157) 0.985 7.322 ( 2.008 -1.754 -0.785) 2.779 7.522 ( 3.441 -1.134 0.886) 3.730 7.547 ( -2.296 0.873 -1.726) 3.002 7.730 ( 1.903 1.611 0.827) 2.627 7.782 ( 0.770 1.856 2.936) 3.558 7.839 ( 1.631 0.999 -1.944) 2.727 7.959 ( -3.342 1.463 -1.356) 3.892 8.929 ( 1.324 -0.750 0.848) 1.742 9.022 ( 0.032 1.399 -1.574) 2.106 9.407 ( -1.875 -1.729 3.110) 4.023 9.464 ( -2.364 -3.623 -2.538) 5.015 10.116 ( 0.038 -0.780 1.254) 1.477 10.276 ( -1.571 -2.820 -4.632) 5.646 10.446 ( 1.280 1.105 4.301) 4.622 10.603 ( -1.329 -1.367 0.026) 1.907 12.001 ( -0.073 0.514 -0.559) 0.763 12.026 ( -0.017 -0.202 -0.526) 0.564 13.741 ( 1.081 0.188 -2.375) 2.616 13.800 ( 0.718 1.505 -0.684) 1.802 13.875 ( 0.903 0.764 2.550) 2.811 14.010 ( 0.706 1.605 2.050) 2.697 14.150 ( 0.697 2.539 -2.826) 3.862 14.258 ( -4.501 1.346 5.920) 7.558 14.559 ( -0.281 -0.516 0.453) 0.742 14.662 ( -0.160 -1.325 -6.298) 6.438 15.391 ( 0.596 -0.756 2.342) 2.533 15.446 ( 0.715 -1.793 -0.765) 2.077 15.821 ( 2.036 2.380 -0.944) 3.271 15.882 ( 0.083 0.771 2.645) 2.756 16.209 ( 0.571 0.844 -2.143) 2.372 16.227 ( 0.828 2.850 -0.772) 3.066 16.514 ( 0.232 1.935 -1.288) 2.336 16.642 ( -1.531 0.246 2.384) 2.844 17.398 ( -0.569 -2.032 2.000) 2.907 17.492 ( -1.365 -1.588 -1.702) 2.699 20.279 ( 0.236 0.858 -2.407) 2.567 20.436 ( -2.120 -0.114 2.319) 3.144 21.622 ( 0.341 -3.195 -1.154) 3.414 21.670 ( -1.009 -2.617 1.037) 2.990 24.968 ( -1.346 3.663 -1.558) 4.202 25.094 ( -3.099 1.300 1.723) 3.776 27.713 ( -1.789 0.867 -0.750) 2.124 27.781 ( -2.824 0.360 0.628) 2.915 28.699 ( 0.057 -0.026 -0.324) 0.330 28.719 ( -0.547 0.052 0.339) 0.646 29.282 ( 0.259 -0.223 -0.435) 0.553 29.307 ( -0.495 -0.018 0.404) 0.639 31.978 ( 0.697 -2.979 0.127) 3.062 31.988 ( 0.585 -2.948 -0.142) 3.009 32.869 ( 4.834 4.856 0.282) 6.858 33.047 ( 0.265 4.562 -0.430) 4.590 33.164 ( 5.952 6.800 0.063) 9.037 33.296 ( 2.624 5.006 -0.018) 5.652 33.806 ( 0.973 -7.609 0.994) 7.735 33.964 ( -0.748 -9.496 -1.165) 9.596 34.397 ( -1.035 -5.443 0.902) 5.614 34.525 ( -2.080 -9.389 -0.599) 9.636 35.753 ( 2.920 7.389 -1.461) 8.079 35.781 ( 1.107 7.961 1.464) 8.170 ======================= Grid point 155 (63/102) ======================= q-point: (-0.36 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 12.763 -1.256 8.204) 15.225 1.386 ( 2.539 0.149 -8.355) 8.733 1.722 ( 7.329 -7.421 0.239) 10.433 1.728 ( 4.632 9.636 5.049) 11.823 1.978 ( 11.078 2.487 -2.309) 11.586 2.096 ( -0.117 -0.050 -3.770) 3.772 2.262 ( 12.447 5.859 -0.706) 13.775 2.507 ( -4.375 2.531 4.872) 7.020 2.650 ( -2.256 1.122 0.122) 2.523 2.767 ( -4.606 -1.876 -4.557) 6.745 2.908 ( 2.818 7.185 -1.053) 7.790 2.972 ( -0.077 0.493 -11.733) 11.744 3.014 ( -2.323 1.092 -0.824) 2.696 3.133 ( 2.432 -1.150 3.269) 4.233 3.162 ( 0.731 3.019 7.989) 8.571 3.278 ( 7.908 -0.441 8.232) 11.423 3.308 ( -5.762 0.303 -2.600) 6.329 3.397 ( -7.786 4.713 3.707) 9.827 3.563 ( -4.534 -2.268 -5.543) 7.511 3.645 ( 3.803 -0.022 2.146) 4.366 3.814 ( -5.534 -5.007 1.867) 7.693 3.935 ( -5.041 -3.020 -0.360) 5.888 3.952 ( 0.392 10.337 1.970) 10.530 4.048 ( -3.139 3.809 2.329) 5.458 4.077 ( -0.809 8.641 -5.708) 10.388 4.212 ( 0.555 4.681 1.507) 4.949 4.389 ( -0.832 -10.207 -2.837) 10.626 4.566 ( -4.702 -4.697 -0.461) 6.662 4.843 ( 2.604 3.738 -2.163) 5.043 4.924 ( -2.155 11.115 2.600) 11.617 5.117 ( 12.164 0.921 -0.521) 12.210 5.296 ( -1.418 3.140 1.241) 3.662 5.504 ( -2.273 -4.430 2.933) 5.778 5.534 ( -0.636 -1.954 -7.024) 7.319 5.787 ( 3.820 -0.790 -0.710) 3.965 5.897 ( 2.120 -4.886 6.306) 8.254 5.973 ( -3.866 -8.927 2.788) 10.120 6.135 ( 1.658 0.158 -3.862) 4.206 6.226 ( -4.156 -7.202 -0.177) 8.317 6.339 ( -1.638 6.864 -3.634) 7.937 6.442 ( -6.092 4.161 2.966) 7.952 6.544 ( 4.438 -3.051 -5.184) 7.475 6.710 ( 2.064 -3.472 4.916) 6.363 6.836 ( 0.958 0.029 -0.917) 1.326 6.969 ( -2.043 2.184 2.192) 3.708 6.994 ( -4.090 -2.641 0.318) 4.879 7.078 ( -1.701 0.350 -1.418) 2.242 7.110 ( -1.820 0.157 0.619) 1.929 7.265 ( 3.199 0.717 2.695) 4.244 7.375 ( 2.176 -1.232 0.867) 2.647 7.514 ( -0.695 0.614 -4.347) 4.444 7.560 ( -0.874 -0.286 -1.255) 1.556 7.745 ( 3.642 -0.621 1.040) 3.838 7.775 ( 2.262 1.183 4.069) 4.803 7.847 ( 0.817 -1.254 -2.069) 2.554 7.920 ( -3.193 -0.888 -2.275) 4.020 8.944 ( 0.847 0.326 1.390) 1.660 9.004 ( -0.117 0.388 -2.172) 2.210 9.436 ( -0.589 -2.712 3.667) 4.599 9.508 ( -0.768 -3.501 -2.520) 4.381 10.137 ( 0.772 -1.067 1.585) 2.061 10.298 ( -1.747 -2.280 -6.131) 6.771 10.454 ( 2.287 0.608 5.581) 6.062 10.613 ( -1.189 -1.252 -0.869) 1.933 11.992 ( -0.016 0.456 0.133) 0.475 12.027 ( -0.303 -0.234 -0.904) 0.982 13.745 ( 0.908 0.276 -1.145) 1.487 13.783 ( 0.315 0.940 -1.348) 1.673 13.886 ( 2.183 0.178 5.933) 6.324 13.994 ( 0.522 1.258 2.160) 2.553 14.106 ( -0.642 2.359 -1.226) 2.735 14.227 ( -3.800 -1.844 0.227) 4.229 14.561 ( -0.649 -0.118 1.644) 1.771 14.675 ( 0.604 -0.942 -8.386) 8.460 15.413 ( 0.757 -0.565 3.934) 4.046 15.486 ( 0.789 -2.033 -1.031) 2.412 15.790 ( 1.375 2.980 0.308) 3.296 15.863 ( -1.036 1.208 1.072) 1.919 16.178 ( -0.029 2.808 -0.690) 2.892 16.189 ( -0.623 1.638 -1.310) 2.188 16.499 ( 1.327 0.851 1.261) 2.019 16.639 ( -1.263 -1.366 -1.189) 2.208 17.434 ( 0.163 -2.164 2.216) 3.102 17.508 ( -0.461 -1.611 -1.817) 2.472 20.274 ( 1.124 0.474 1.647) 2.049 20.437 ( -1.601 -2.037 -1.552) 3.020 21.662 ( 0.391 -0.983 0.395) 1.129 21.703 ( -0.413 -2.074 -0.416) 2.155 24.934 ( 0.673 0.035 1.824) 1.945 25.087 ( -1.423 -2.995 -1.922) 3.833 27.712 ( 0.078 -1.740 0.778) 1.908 27.782 ( -1.079 -2.673 -0.699) 2.966 28.704 ( 0.361 -0.390 -0.106) 0.542 28.718 ( -0.240 -0.393 0.098) 0.471 29.288 ( 0.380 -0.177 -0.228) 0.477 29.304 ( -0.390 -0.137 0.229) 0.472 32.023 ( 0.630 -1.415 0.288) 1.576 32.029 ( 0.630 -1.213 -0.319) 1.403 32.825 ( 3.417 4.872 0.467) 5.970 32.958 ( -2.312 4.596 -0.601) 5.179 33.091 ( 3.856 7.023 0.115) 8.013 33.203 ( -1.243 6.404 -0.055) 6.524 33.902 ( 0.851 -2.245 2.057) 3.162 34.058 ( -1.823 -3.148 -3.171) 4.826 34.496 ( 1.524 -5.156 3.478) 6.404 34.649 ( -0.732 -7.116 -2.268) 7.505 35.639 ( 0.091 7.420 -0.627) 7.447 35.653 ( -1.198 7.117 0.641) 7.245 ======================= Grid point 156 (64/102) ======================= q-point: (-0.27 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 6.439 5.903 2.216) 9.012 1.328 ( -3.349 7.215 -4.386) 9.084 1.704 ( 13.320 2.160 4.765) 14.311 1.896 ( -1.532 -6.803 0.528) 6.993 2.063 ( 8.084 2.807 0.239) 8.561 2.159 ( 3.218 -0.556 -1.726) 3.693 2.308 ( 10.595 -0.556 -0.434) 10.618 2.423 ( -3.294 2.200 -0.023) 3.961 2.581 ( 1.917 5.339 0.319) 5.682 2.709 ( -7.245 3.767 -1.467) 8.296 2.818 ( 2.590 5.824 -4.556) 7.835 2.897 ( -3.422 4.614 -6.876) 8.960 2.988 ( -1.230 -1.181 -2.043) 2.661 3.051 ( -8.875 5.689 3.980) 11.268 3.157 ( -1.946 2.277 3.694) 4.756 3.230 ( 3.818 -4.776 3.893) 7.249 3.320 ( -5.464 -0.246 1.700) 5.728 3.420 ( 9.171 -0.963 5.576) 10.776 3.535 ( -4.938 0.044 -5.420) 7.332 3.668 ( 0.619 3.269 5.106) 6.094 3.755 ( -5.311 7.740 0.351) 9.394 3.780 ( -1.150 3.773 1.213) 4.126 3.837 ( -2.116 -2.946 -0.904) 3.738 3.928 ( -2.348 0.068 -0.363) 2.377 4.104 ( -1.678 -0.873 -1.906) 2.685 4.158 ( -1.672 3.237 -0.947) 3.765 4.533 ( 2.401 -0.232 -3.654) 4.379 4.590 ( -5.166 3.314 -1.617) 6.347 4.699 ( 1.280 3.632 5.704) 6.882 4.784 ( 0.393 4.283 -2.991) 5.239 5.225 ( 8.458 -0.790 0.019) 8.495 5.279 ( 4.623 -0.151 -1.919) 5.008 5.523 ( -1.854 -1.582 -0.627) 2.516 5.556 ( -6.021 -1.435 -1.134) 6.293 5.838 ( 4.031 -0.956 -2.436) 4.806 5.922 ( -4.883 4.480 -3.190) 7.355 6.032 ( 3.244 -3.174 12.132) 12.953 6.211 ( 1.239 -7.206 2.439) 7.708 6.251 ( 3.956 5.614 9.793) 11.961 6.324 ( 1.021 -2.059 -9.463) 9.738 6.355 ( -6.000 -7.525 -2.745) 10.008 6.566 ( -6.038 0.829 -7.221) 9.449 6.768 ( 0.467 -2.419 4.043) 4.734 6.839 ( -0.814 0.548 -1.455) 1.755 6.933 ( 0.117 -1.468 1.070) 1.820 6.996 ( -0.858 -0.113 -0.270) 0.907 7.058 ( 1.598 2.022 3.204) 4.111 7.128 ( 0.780 -1.134 -0.823) 1.604 7.284 ( 0.554 -0.592 2.952) 3.062 7.388 ( 1.478 2.064 3.594) 4.400 7.491 ( -5.768 1.453 -4.482) 7.448 7.506 ( 1.335 2.650 -2.877) 4.134 7.766 ( 1.373 1.012 2.410) 2.952 7.818 ( 4.816 -0.537 0.497) 4.872 7.891 ( 1.640 -1.145 -0.050) 2.001 7.941 ( -3.038 -6.730 -3.904) 8.353 8.942 ( 0.055 0.531 2.212) 2.276 9.000 ( 0.336 -0.021 -3.521) 3.537 9.490 ( -0.499 -3.336 5.111) 6.124 9.563 ( 0.801 -3.302 -2.869) 4.447 10.168 ( 1.367 -0.977 1.949) 2.573 10.302 ( -2.470 -1.373 -6.698) 7.270 10.481 ( 3.182 0.043 6.277) 7.037 10.618 ( -1.376 -0.887 -2.106) 2.667 11.987 ( 0.177 0.266 0.969) 1.020 12.026 ( -0.470 -0.200 -1.367) 1.459 13.747 ( 0.648 0.168 -0.454) 0.809 13.772 ( -0.056 0.277 -1.691) 1.714 13.926 ( 3.605 -0.752 8.579) 9.336 13.983 ( 0.437 0.880 2.106) 2.324 14.065 ( -1.160 0.997 0.557) 1.628 14.242 ( -3.839 -4.171 -3.535) 6.681 14.556 ( -1.010 0.076 2.313) 2.525 14.686 ( 1.029 -0.773 -10.747) 10.824 15.432 ( 0.904 -0.021 5.809) 5.879 15.519 ( 0.832 -0.978 -1.687) 2.120 15.754 ( 1.142 2.602 1.784) 3.356 15.825 ( -1.629 1.662 -0.907) 2.498 16.129 ( -0.185 2.592 -0.650) 2.679 16.146 ( -1.382 2.165 -0.516) 2.620 16.513 ( 1.711 -0.533 3.928) 4.317 16.661 ( -1.296 -2.968 -4.939) 5.906 17.476 ( 0.350 -2.041 2.678) 3.386 17.533 ( 0.143 -1.763 -1.953) 2.635 20.290 ( 1.791 -0.366 5.601) 5.892 20.469 ( -1.517 -3.724 -5.234) 6.600 21.668 ( 0.607 0.732 1.955) 2.174 21.728 ( -0.273 -1.269 -1.940) 2.334 24.985 ( 1.794 -4.260 5.755) 7.381 25.172 ( -0.957 -9.214 -6.092) 11.087 27.774 ( 1.109 -4.570 2.270) 5.222 27.846 ( -0.368 -5.654 -1.953) 5.993 28.719 ( 0.479 -0.975 0.084) 1.090 28.729 ( -0.137 -1.196 -0.117) 1.210 29.294 ( 0.324 -0.135 0.115) 0.369 29.305 ( -0.264 -0.289 -0.096) 0.403 32.034 ( 0.248 0.687 0.440) 0.853 32.040 ( 0.674 0.650 -0.483) 1.054 32.773 ( 2.494 4.493 0.904) 5.218 32.851 ( -3.506 4.408 -1.016) 5.723 33.005 ( 2.686 6.462 0.220) 7.002 33.069 ( -3.321 6.475 -0.160) 7.279 33.899 ( 0.858 3.860 3.442) 5.242 34.035 ( -1.698 3.196 -5.435) 6.529 34.581 ( 1.571 -1.724 7.753) 8.096 34.750 ( 1.298 -4.859 -5.754) 7.643 35.510 ( -0.873 6.910 -0.485) 6.982 35.520 ( -2.924 6.250 0.541) 6.921 ======================= Grid point 157 (65/102) ======================= q-point: (-0.18 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 12.111 14.392 1.875) 18.903 1.116 ( -11.452 5.457 -2.322) 12.897 1.779 ( 7.637 3.867 8.074) 11.767 1.854 ( -10.516 10.684 1.921) 15.113 1.969 ( 3.441 6.847 1.313) 7.775 2.071 ( 3.024 14.769 -7.710) 16.933 2.291 ( -10.469 7.295 1.489) 12.847 2.393 ( 13.802 9.159 -7.897) 18.351 2.491 ( -8.136 9.728 1.233) 12.742 2.516 ( 1.048 7.364 -2.456) 7.833 2.715 ( -9.007 0.223 8.605) 12.459 2.860 ( 9.819 -3.384 -4.671) 11.388 2.993 ( -1.384 0.644 -3.543) 3.858 3.014 ( 3.209 2.716 -3.458) 5.443 3.203 ( 2.114 -4.209 6.727) 8.212 3.271 ( -7.746 -1.971 1.130) 8.072 3.358 ( 4.235 -2.076 7.163) 8.576 3.454 ( -0.600 1.814 -0.448) 1.962 3.500 ( -0.548 -3.112 -4.611) 5.590 3.531 ( 0.931 1.847 -3.371) 3.955 3.743 ( 0.109 0.038 10.299) 10.300 3.852 ( -2.120 -5.202 2.687) 6.227 3.893 ( -1.199 -2.575 -4.741) 5.527 3.928 ( 2.489 -5.463 -4.385) 7.434 4.052 ( -1.072 0.481 1.382) 1.814 4.073 ( 1.916 4.364 -0.725) 4.821 4.402 ( -1.296 4.466 1.941) 5.039 4.530 ( 1.049 4.314 -8.831) 9.884 4.704 ( 2.235 0.970 3.345) 4.138 4.766 ( -3.146 -1.381 -2.414) 4.199 5.288 ( -1.934 0.769 0.714) 2.201 5.311 ( 4.128 1.452 -1.795) 4.729 5.471 ( -3.291 -1.596 4.659) 5.923 5.562 ( 0.395 -2.497 -4.581) 5.232 5.799 ( -3.669 6.485 4.346) 8.626 5.884 ( 3.590 0.731 -4.838) 6.068 6.120 ( 2.173 -1.980 9.991) 10.415 6.191 ( 0.434 0.099 3.503) 3.531 6.351 ( 2.920 -3.803 3.157) 5.741 6.409 ( -2.481 -3.554 -6.994) 8.228 6.432 ( 0.425 -6.647 -0.352) 6.670 6.527 ( -2.912 -6.138 -5.516) 8.751 6.777 ( -5.631 -1.381 4.106) 7.105 6.866 ( 6.109 -1.743 -3.226) 7.125 6.949 ( 0.593 2.369 -0.392) 2.474 6.975 ( 1.197 2.756 -0.669) 3.078 7.035 ( 1.415 3.126 4.320) 5.517 7.120 ( 0.250 2.963 -2.193) 3.695 7.302 ( -3.052 -0.999 2.771) 4.242 7.332 ( 0.674 5.420 1.115) 5.574 7.422 ( -2.222 -1.754 -1.667) 3.285 7.467 ( -1.272 2.594 -3.110) 4.245 7.771 ( 2.486 1.419 4.430) 5.274 7.842 ( 1.486 0.968 -2.560) 3.114 7.928 ( 1.527 -2.681 3.800) 4.894 8.035 ( -3.352 -6.674 -6.680) 10.020 8.934 ( -0.683 0.468 2.335) 2.477 9.000 ( 0.996 0.277 -4.790) 4.901 9.545 ( -0.828 -3.095 6.149) 6.934 9.625 ( 0.793 -3.091 -2.365) 3.972 10.197 ( 1.701 -0.315 2.503) 3.042 10.280 ( -3.295 -0.097 -6.264) 7.078 10.521 ( 3.198 -0.179 6.136) 6.921 10.611 ( -1.788 -0.382 -3.478) 3.929 11.988 ( 0.361 0.112 1.641) 1.684 12.022 ( -0.485 -0.104 -1.720) 1.791 13.750 ( 0.113 -0.070 -0.192) 0.233 13.768 ( 0.013 -0.082 -1.676) 1.678 13.966 ( 0.368 0.334 2.944) 2.986 13.991 ( 2.638 0.200 1.546) 3.064 14.079 ( 1.109 -3.366 11.333) 11.874 14.285 ( -4.000 -5.736 -5.569) 8.940 14.547 ( -1.223 -0.091 2.264) 2.575 14.699 ( 1.047 -1.450 -12.892) 13.016 15.443 ( 0.374 0.396 6.733) 6.755 15.527 ( 0.140 0.477 -2.288) 2.341 15.730 ( 1.374 1.895 2.611) 3.507 15.779 ( -1.231 1.719 -2.328) 3.145 16.089 ( 0.441 2.254 0.070) 2.298 16.094 ( -0.973 2.190 -0.412) 2.432 16.561 ( 1.695 -2.666 5.916) 6.706 16.700 ( -1.572 -4.054 -8.234) 9.312 17.511 ( -0.599 -1.621 3.512) 3.914 17.566 ( 0.568 -1.958 -2.164) 2.973 20.334 ( 2.239 -1.553 9.631) 10.009 20.516 ( -2.099 -4.585 -8.666) 10.026 21.658 ( 0.925 1.609 3.687) 4.128 21.732 ( -0.879 -0.139 -3.795) 3.898 25.132 ( 2.102 -9.975 12.230) 15.921 25.379 ( -2.325 -18.451 -12.516) 22.416 27.888 ( 1.080 -7.101 3.575) 8.023 27.954 ( -0.914 -7.702 -2.997) 8.315 28.749 ( 0.367 -2.100 0.428) 2.174 28.758 ( -0.359 -2.543 -0.493) 2.615 29.298 ( -0.007 -0.122 0.529) 0.543 29.309 ( 0.006 -0.348 -0.506) 0.614 32.006 ( -0.091 2.814 0.466) 2.854 32.015 ( 0.114 2.728 -0.512) 2.778 32.719 ( -0.649 3.632 1.873) 4.138 32.757 ( 0.609 3.945 -1.933) 4.435 32.925 ( 0.264 5.368 0.802) 5.434 32.941 ( -0.212 5.230 -0.791) 5.294 33.799 ( 0.834 9.240 4.493) 10.309 33.909 ( -1.266 9.066 -7.008) 11.528 34.586 ( 0.157 3.866 12.552) 13.135 34.812 ( 0.873 -1.798 -10.668) 10.853 35.391 ( -2.610 5.651 1.043) 6.312 35.406 ( 1.958 5.295 -0.564) 5.673 ======================= Grid point 158 (66/102) ======================= q-point: (-0.09 0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -19.501 8.435 -4.656) 21.751 1.152 ( 19.301 1.262 4.824) 19.935 1.463 ( -8.626 19.294 7.759) 22.514 1.659 ( -8.628 16.183 4.390) 18.858 1.741 ( 3.814 16.766 -3.049) 17.463 1.952 ( 8.288 5.655 -7.707) 12.652 2.033 ( -0.960 13.191 -0.531) 13.236 2.218 ( 5.512 14.454 -4.719) 16.173 2.326 ( 8.397 13.502 3.247) 16.229 2.410 ( 3.487 7.524 -1.669) 8.459 2.690 ( 1.676 4.069 11.433) 12.251 2.820 ( -0.659 13.561 -1.829) 13.700 2.885 ( -3.195 7.630 -6.947) 10.802 2.973 ( 11.016 12.540 -6.307) 17.843 3.191 ( -3.890 6.804 2.107) 8.116 3.247 ( 1.891 0.172 3.699) 4.158 3.358 ( -5.366 -2.825 5.499) 8.187 3.483 ( -4.561 -6.084 -3.992) 8.588 3.627 ( 0.560 -8.323 -1.495) 8.475 3.691 ( 7.832 -5.156 -3.335) 9.952 3.723 ( -1.288 -5.660 6.835) 8.967 3.807 ( -4.040 -2.495 -1.405) 4.952 3.941 ( 3.800 1.281 -1.712) 4.360 4.073 ( 0.537 -8.623 -2.512) 8.997 4.092 ( 0.204 -7.078 -3.061) 7.714 4.215 ( 3.401 -9.741 2.933) 10.727 4.415 ( -1.916 -7.499 0.893) 7.791 4.501 ( 1.912 -2.599 -3.063) 4.449 4.685 ( -5.806 -1.260 4.469) 7.434 4.829 ( 3.812 -8.513 -0.877) 9.368 5.155 ( -10.076 2.305 -0.558) 10.351 5.356 ( 4.197 1.792 2.568) 5.236 5.544 ( -3.344 -5.149 2.296) 6.555 5.594 ( -1.494 -3.322 -0.568) 3.687 5.681 ( 1.750 3.913 1.544) 4.556 5.824 ( 2.862 7.258 -4.817) 9.169 6.145 ( -3.010 0.225 3.436) 4.574 6.255 ( -1.288 -3.864 -2.518) 4.788 6.409 ( 1.698 -0.919 1.507) 2.450 6.426 ( 0.526 -3.194 -2.261) 3.949 6.536 ( -3.505 -2.277 4.656) 6.257 6.619 ( -0.151 -4.287 -2.804) 5.125 6.778 ( 1.084 1.731 2.248) 3.037 6.867 ( -0.919 3.983 -0.359) 4.104 6.893 ( 0.425 1.553 -0.142) 1.617 6.940 ( 3.802 5.278 3.190) 7.245 6.994 ( -0.439 0.494 -3.700) 3.759 7.108 ( 8.335 3.323 4.483) 10.031 7.205 ( -5.042 2.710 -6.021) 8.308 7.273 ( 2.787 6.596 0.178) 7.163 7.412 ( -0.283 -1.265 5.585) 5.734 7.490 ( -0.209 -2.895 -3.817) 4.795 7.737 ( 0.723 5.438 2.957) 6.232 7.817 ( 1.041 2.924 -4.961) 5.852 8.020 ( -6.474 -6.836 -0.095) 9.415 8.094 ( 0.319 -6.834 -1.847) 7.086 8.918 ( -1.140 0.496 1.338) 1.826 8.995 ( 1.644 1.128 -5.066) 5.445 9.590 ( -1.772 -2.480 6.276) 6.977 9.663 ( -1.138 -1.586 -2.028) 2.815 10.213 ( 1.719 0.768 3.356) 3.848 10.232 ( -3.480 1.104 -5.024) 6.210 10.552 ( 1.108 0.088 4.185) 4.330 10.592 ( -1.155 0.362 -3.218) 3.438 11.992 ( 0.287 0.137 1.857) 1.884 12.017 ( -0.200 -0.014 -1.720) 1.732 13.747 ( -0.752 0.020 -0.145) 0.766 13.773 ( 0.716 -0.256 -1.399) 1.592 13.965 ( -0.031 -0.103 1.414) 1.418 13.998 ( 0.745 0.248 -1.606) 1.787 14.227 ( 2.939 -8.592 19.390) 21.411 14.349 ( -3.269 -6.770 -3.394) 8.249 14.542 ( -1.157 -0.425 0.998) 1.586 14.732 ( 0.010 -3.699 -14.122) 14.598 15.435 ( -1.443 0.799 4.686) 4.967 15.498 ( -1.936 1.608 -1.974) 3.198 15.723 ( 2.323 1.290 2.814) 3.871 15.744 ( 0.130 1.426 -2.670) 3.029 16.051 ( 0.200 1.495 0.438) 1.571 16.079 ( 3.428 1.301 0.071) 3.668 16.649 ( 1.050 -5.345 6.042) 8.135 16.748 ( -1.931 -4.760 -9.778) 11.046 17.526 ( -2.293 -1.191 3.874) 4.657 17.600 ( -0.049 -1.724 -1.729) 2.442 20.407 ( 2.013 -3.032 13.532) 14.013 20.561 ( -3.211 -4.897 -11.263) 12.694 21.638 ( 0.447 2.287 5.060) 5.571 21.703 ( -2.273 1.365 -5.685) 6.273 25.404 ( 0.259 -18.813 23.863) 30.388 25.720 ( -8.507 -29.312 -22.382) 37.849 28.032 ( -0.408 -8.317 3.904) 9.196 28.070 ( -2.363 -7.850 -3.307) 8.840 28.802 ( -0.503 -4.097 0.934) 4.232 28.807 ( -1.352 -4.142 -1.021) 4.475 29.299 ( -0.369 -0.112 0.444) 0.588 29.315 ( 0.244 -0.283 -0.430) 0.570 31.938 ( -0.609 5.056 0.679) 5.137 31.947 ( -0.919 4.647 -0.706) 4.790 32.655 ( -0.748 1.952 0.622) 2.180 32.734 ( 5.917 2.412 -0.665) 6.424 32.846 ( 0.735 3.104 0.293) 3.204 32.892 ( 4.803 3.788 -0.346) 6.126 33.620 ( 0.258 12.723 3.693) 13.250 33.697 ( -0.151 13.634 -5.789) 14.813 34.464 ( -2.549 11.730 16.057) 20.048 34.766 ( -6.313 4.103 -16.451) 18.092 35.308 ( 5.316 4.100 -0.239) 6.718 35.394 ( 9.177 1.749 1.669) 9.490 ======================= Grid point 162 (67/102) ======================= q-point: ( 0.27 0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -3.725 -0.000 8.404) 9.193 1.104 ( 14.377 0.000 -1.091) 14.418 1.592 ( 18.099 0.000 -5.394) 18.886 1.634 ( 4.015 0.000 2.440) 4.698 1.800 ( 6.794 0.000 -0.739) 6.834 2.026 ( 6.536 0.000 -12.147) 13.794 2.067 ( 6.190 0.000 -8.284) 10.341 2.320 ( 0.150 0.000 1.979) 1.984 2.392 ( 11.748 0.000 3.425) 12.238 2.497 ( 2.667 0.000 3.236) 4.194 2.816 ( 15.362 0.000 -5.193) 16.216 2.847 ( 14.682 0.000 8.138) 16.786 2.953 ( 18.001 0.000 3.259) 18.294 3.019 ( 8.845 0.000 -2.717) 9.253 3.230 ( 14.314 0.000 6.907) 15.894 3.372 ( -5.513 -0.000 1.323) 5.669 3.387 ( 0.813 0.000 -3.044) 3.151 3.409 ( 16.117 0.000 2.708) 16.343 3.580 ( -3.516 -0.000 -5.421) 6.462 3.589 ( 2.425 0.000 2.450) 3.447 3.733 ( -1.646 -0.000 1.784) 2.427 3.830 ( -8.897 -0.000 5.250) 10.330 4.014 ( -1.349 -0.000 -3.831) 4.061 4.039 ( -12.552 -0.000 -6.893) 14.320 4.565 ( 6.524 0.000 2.073) 6.846 4.620 ( -10.561 -0.000 -1.967) 10.743 4.700 ( 0.150 0.000 10.335) 10.336 4.853 ( -3.441 -0.000 0.871) 3.549 4.930 ( -4.737 -0.000 -0.810) 4.806 5.073 ( 3.890 0.000 -5.998) 7.149 5.258 ( 1.661 0.000 7.199) 7.388 5.413 ( -6.327 -0.000 -8.350) 10.476 5.509 ( -1.306 -0.000 -1.578) 2.048 5.571 ( -1.321 -0.000 3.846) 4.067 5.573 ( -4.132 -0.000 -3.657) 5.518 5.660 ( -1.134 -0.000 0.469) 1.227 5.737 ( -2.600 -0.000 -1.303) 2.908 5.902 ( -5.291 -0.000 2.568) 5.882 6.039 ( 0.763 0.000 -16.400) 16.418 6.161 ( 7.148 0.000 9.531) 11.913 6.231 ( -4.216 -0.000 9.982) 10.836 6.511 ( -2.851 -0.000 -5.318) 6.034 6.558 ( -3.412 -0.000 -5.444) 6.425 6.663 ( 0.814 0.000 4.885) 4.952 6.895 ( -0.488 -0.000 0.638) 0.804 6.965 ( -1.862 -0.000 2.590) 3.190 6.974 ( 1.759 0.000 -4.463) 4.797 7.017 ( -4.722 -0.000 4.738) 6.689 7.314 ( 4.158 0.000 0.082) 4.158 7.324 ( 0.964 0.000 -1.295) 1.615 7.552 ( 3.586 0.000 -3.708) 5.159 7.649 ( 8.713 0.000 7.236) 11.326 7.794 ( 4.988 0.000 -0.594) 5.023 7.843 ( -1.668 -0.000 3.093) 3.514 8.117 ( -8.895 -0.000 -5.938) 10.695 8.226 ( -7.546 -0.000 2.586) 7.977 8.833 ( -1.095 -0.000 -4.424) 4.558 9.164 ( 2.340 0.000 1.627) 2.850 9.321 ( -7.124 -0.000 -4.028) 8.184 9.443 ( -3.613 -0.000 2.636) 4.472 10.096 ( -0.800 -0.000 0.528) 0.958 10.141 ( -1.949 -0.000 -0.628) 2.047 10.491 ( 0.666 0.000 0.220) 0.701 10.561 ( -1.588 -0.000 3.403) 3.755 12.009 ( -0.117 -0.000 0.816) 0.824 12.028 ( 0.865 0.000 -2.692) 2.827 13.733 ( 0.715 0.000 -2.777) 2.868 13.838 ( 2.503 0.000 -2.420) 3.482 13.933 ( -1.163 -0.000 -2.623) 2.869 14.053 ( 1.262 0.000 1.029) 1.628 14.350 ( -1.446 -0.000 -15.760) 15.826 14.455 ( -1.666 -0.000 6.945) 7.142 14.568 ( -7.767 -0.000 20.016) 21.470 14.580 ( -0.041 -0.000 -4.938) 4.938 15.401 ( -0.151 -0.000 3.304) 3.307 15.472 ( 1.135 0.000 -2.494) 2.740 15.821 ( 4.790 0.000 -1.378) 4.985 15.863 ( 3.465 0.000 2.417) 4.224 16.225 ( 1.210 0.000 -11.902) 11.963 16.366 ( 3.108 0.000 6.321) 7.043 16.716 ( -5.537 -0.000 -0.802) 5.595 16.732 ( -4.489 -0.000 4.015) 6.023 17.363 ( -3.566 -0.000 1.342) 3.811 17.435 ( -4.028 -0.000 -0.898) 4.127 20.385 ( -4.617 -0.000 -11.440) 12.337 20.531 ( -3.828 -0.000 11.019) 11.665 21.386 ( -0.365 -0.000 -3.664) 3.683 21.464 ( -0.354 -0.000 3.311) 3.330 25.491 ( -15.978 -0.000 -18.537) 24.473 25.586 ( -23.166 -0.000 20.133) 30.692 27.944 ( -7.707 -0.000 -3.708) 8.552 28.040 ( -9.511 -0.000 2.868) 9.934 28.738 ( -2.914 -0.000 -1.719) 3.383 28.788 ( -4.806 -0.000 1.770) 5.122 29.266 ( -0.360 -0.000 -0.997) 1.060 29.314 ( -0.859 -0.000 0.838) 1.200 31.732 ( 3.061 0.000 -0.199) 3.068 31.738 ( 2.804 0.000 0.212) 2.812 33.083 ( 5.896 0.000 0.499) 5.917 33.111 ( 4.839 0.000 -1.116) 4.966 33.214 ( 2.876 0.000 2.349) 3.713 33.248 ( 1.219 0.000 -1.781) 2.158 33.369 ( 8.679 0.000 -1.194) 8.761 33.392 ( 9.133 0.000 1.210) 9.212 33.880 ( 9.509 0.000 0.388) 9.517 34.033 ( 6.143 0.000 -0.129) 6.145 36.030 ( 9.712 0.000 -9.926) 13.887 36.160 ( 4.307 0.000 9.587) 10.511 ======================= Grid point 163 (68/102) ======================= q-point: ( 0.36 0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.395 8.618 5.998) 10.507 1.353 ( 7.551 -9.254 0.390) 11.950 1.648 ( -0.043 2.001 -6.359) 6.667 1.817 ( 15.249 -6.190 0.815) 16.477 1.995 ( 8.683 -14.762 -2.970) 17.382 2.066 ( 8.556 -3.335 -0.607) 9.203 2.232 ( 1.084 -8.569 0.661) 8.662 2.321 ( 4.290 -1.649 -3.250) 5.629 2.479 ( 11.607 3.899 -0.357) 12.249 2.539 ( 1.561 -2.698 -1.948) 3.676 2.918 ( -1.630 -2.280 2.784) 3.950 2.935 ( 1.964 -2.645 6.503) 7.290 3.042 ( 13.481 4.091 1.029) 14.126 3.183 ( 10.991 3.183 -2.207) 11.654 3.267 ( -6.882 1.868 2.891) 7.695 3.328 ( 8.385 1.112 -5.257) 9.959 3.391 ( 5.562 1.252 5.488) 7.914 3.465 ( -1.577 -1.636 -7.293) 7.639 3.544 ( 1.427 4.616 -1.601) 5.090 3.640 ( -1.058 4.767 5.421) 7.296 3.714 ( 7.034 -0.986 2.066) 7.397 3.802 ( -3.523 -2.197 3.821) 5.642 3.882 ( -6.229 6.037 -2.402) 9.001 4.068 ( 1.390 -3.466 -6.712) 7.681 4.432 ( -6.040 9.003 0.650) 10.861 4.616 ( 2.821 3.608 2.969) 5.458 4.683 ( 1.870 -0.691 5.780) 6.114 4.751 ( 3.266 8.056 3.143) 9.244 4.878 ( 2.107 3.666 -3.254) 5.336 5.025 ( 5.806 4.980 -3.934) 8.601 5.243 ( 0.180 0.648 7.042) 7.075 5.396 ( -1.321 1.510 -3.997) 4.473 5.528 ( -0.551 -1.164 -5.068) 5.229 5.558 ( 3.026 -2.077 0.751) 3.747 5.678 ( -5.166 -10.543 0.792) 11.767 5.710 ( -3.169 0.897 -0.409) 3.318 5.739 ( -3.321 -8.656 1.552) 9.400 5.869 ( -5.417 -1.416 -3.140) 6.420 5.988 ( -0.764 1.233 -6.472) 6.633 6.132 ( -3.418 4.655 6.461) 8.666 6.313 ( 0.466 -5.104 2.532) 5.717 6.465 ( -2.109 0.855 -5.367) 5.829 6.557 ( 1.268 -4.590 1.061) 4.879 6.725 ( -0.325 -3.338 2.769) 4.350 6.837 ( -1.630 2.792 -1.096) 3.414 6.913 ( -0.941 -3.307 -0.470) 3.470 7.047 ( -3.928 -5.422 -1.754) 6.921 7.096 ( -1.085 -5.836 3.206) 6.747 7.248 ( 1.824 5.562 -0.604) 5.885 7.389 ( 0.868 -0.424 0.351) 1.027 7.580 ( 0.913 -0.828 -1.583) 2.006 7.665 ( 1.512 4.480 5.758) 7.450 7.824 ( 4.653 0.944 0.589) 4.784 7.846 ( 1.528 0.159 0.454) 1.602 8.002 ( -6.369 3.463 -3.397) 8.006 8.134 ( -6.873 2.540 0.458) 7.342 8.838 ( -0.050 -1.538 -2.478) 2.917 9.155 ( 1.838 2.986 0.842) 3.606 9.271 ( -6.270 -2.276 -2.598) 7.158 9.420 ( -3.848 -0.841 0.700) 4.001 10.092 ( -0.548 -0.202 0.533) 0.790 10.143 ( -1.921 -2.273 -1.508) 3.336 10.491 ( 0.481 0.779 1.984) 2.185 10.556 ( -1.802 -0.831 2.716) 3.364 12.009 ( -0.224 -0.107 0.456) 0.519 12.030 ( 0.799 0.214 -2.741) 2.863 13.741 ( 1.938 0.111 -2.673) 3.304 13.854 ( 2.273 0.544 -1.920) 3.025 13.917 ( -0.384 0.670 -0.620) 0.990 14.062 ( 1.069 0.410 1.204) 1.661 14.300 ( 0.594 2.871 -9.743) 10.175 14.460 ( -5.264 0.412 12.690) 13.745 14.498 ( -2.843 0.454 5.414) 6.132 14.591 ( -0.625 -1.327 -4.420) 4.658 15.396 ( -0.111 0.831 3.224) 3.331 15.463 ( 1.111 1.674 -2.468) 3.182 15.860 ( 4.629 0.688 -0.292) 4.689 15.895 ( 2.774 0.144 2.532) 3.759 16.221 ( 1.519 0.297 -9.889) 10.009 16.368 ( 1.597 2.443 2.413) 3.787 16.651 ( -3.849 1.779 -1.672) 4.558 16.699 ( -3.540 0.301 6.258) 7.196 17.338 ( -2.487 -0.396 1.127) 2.759 17.416 ( -3.220 -1.701 -0.910) 3.754 20.335 ( -2.200 0.597 -8.821) 9.111 20.500 ( -3.910 0.662 8.505) 9.384 21.409 ( 0.319 -3.025 -3.217) 4.427 21.492 ( -1.108 -3.194 2.782) 4.378 25.309 ( -9.834 4.451 -11.738) 15.947 25.378 ( -15.448 4.264 12.546) 20.352 27.859 ( -6.298 1.585 -3.157) 7.221 27.939 ( -8.567 1.874 2.675) 9.168 28.714 ( -1.486 0.168 -1.355) 2.018 28.747 ( -2.968 0.432 1.424) 3.320 29.266 ( -0.089 -0.287 -0.950) 0.996 29.308 ( -0.994 -0.169 0.812) 1.295 31.781 ( 2.369 -2.550 -0.212) 3.488 31.788 ( 2.153 -2.725 0.233) 3.481 33.082 ( 5.184 4.952 0.143) 7.170 33.176 ( 3.047 -1.597 -0.938) 3.566 33.259 ( 3.313 -3.781 1.553) 5.262 33.315 ( 2.390 -4.691 -0.686) 5.309 33.415 ( 9.725 3.366 -0.257) 10.294 33.498 ( 7.268 -1.911 0.213) 7.519 34.014 ( 5.026 -6.562 -0.760) 8.300 34.123 ( 1.425 -4.753 0.917) 5.046 36.061 ( 7.668 4.479 -6.375) 10.932 36.155 ( 2.980 5.161 6.185) 8.589 ======================= Grid point 164 (69/102) ======================= q-point: ( 0.45 0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.200 0.998 10.711) 10.760 1.465 ( -4.400 -1.106 -17.158) 17.748 1.657 ( 12.033 0.367 5.125) 13.084 1.979 ( 11.148 4.818 0.603) 12.159 2.195 ( 6.488 -6.491 5.726) 10.817 2.343 ( 7.748 -4.246 -2.855) 9.285 2.407 ( 10.198 -6.706 0.513) 12.216 2.476 ( 1.987 -12.331 -0.013) 12.490 2.558 ( 7.170 -6.538 -0.829) 9.739 2.596 ( -0.496 -4.654 -3.667) 5.946 2.859 ( -5.664 5.571 0.215) 7.948 2.968 ( -3.925 -1.043 2.774) 4.918 3.071 ( -2.594 5.838 -1.592) 6.584 3.089 ( 2.238 1.364 2.640) 3.720 3.222 ( 0.237 1.687 5.281) 5.549 3.322 ( 4.196 6.304 -0.771) 7.612 3.399 ( 3.616 5.101 -0.234) 6.257 3.457 ( -3.510 -1.553 -3.061) 4.909 3.490 ( -4.495 0.401 0.086) 4.514 3.554 ( 1.329 1.262 -5.149) 5.465 3.746 ( -2.450 -0.413 1.134) 2.731 3.771 ( 0.539 2.424 -1.360) 2.832 3.846 ( 7.278 1.596 1.070) 7.527 4.000 ( -4.173 4.978 3.396) 7.330 4.357 ( 4.521 1.851 -6.058) 7.782 4.527 ( -3.538 5.751 5.114) 8.470 4.706 ( 5.659 3.856 3.555) 7.716 4.735 ( 2.704 1.037 -1.970) 3.503 4.883 ( 8.070 0.434 0.739) 8.115 5.051 ( 8.511 1.107 -1.678) 8.745 5.251 ( -0.403 -0.071 4.155) 4.175 5.317 ( 4.240 6.845 1.367) 8.167 5.521 ( -1.664 0.507 -1.448) 2.263 5.601 ( -0.815 1.168 -0.410) 1.482 5.671 ( 1.909 4.806 2.126) 5.591 5.725 ( -1.625 -5.132 -5.353) 7.592 5.817 ( -5.510 -2.350 -1.644) 6.212 5.864 ( -8.348 -4.544 -0.497) 9.517 6.022 ( -3.471 -8.228 -3.202) 9.487 6.075 ( -0.491 -3.848 6.089) 7.219 6.374 ( -0.221 -2.283 -1.068) 2.531 6.491 ( 2.721 -3.925 -2.846) 5.560 6.679 ( 0.956 -5.986 0.920) 6.132 6.758 ( -2.929 -1.542 1.114) 3.492 6.819 ( -1.294 -2.662 1.458) 3.300 6.975 ( -2.798 -4.826 -0.339) 5.588 7.098 ( -0.277 -2.438 -2.287) 3.354 7.115 ( -3.773 1.325 -1.926) 4.439 7.228 ( 1.302 -2.830 3.533) 4.710 7.346 ( -1.730 4.279 0.452) 4.638 7.576 ( -0.542 1.578 -0.232) 1.685 7.607 ( 0.723 2.996 1.490) 3.423 7.826 ( 0.558 2.252 0.336) 2.345 7.847 ( 2.042 2.484 1.181) 3.426 7.901 ( -1.483 2.562 -1.852) 3.492 8.033 ( -5.047 2.380 -0.659) 5.619 8.874 ( 1.145 -2.167 -0.231) 2.461 9.110 ( 0.814 3.458 -1.477) 3.847 9.281 ( -4.068 -4.567 0.268) 6.122 9.399 ( -3.398 -0.821 -0.325) 3.510 10.094 ( -0.385 -0.483 0.737) 0.962 10.170 ( -1.701 -3.071 -2.845) 4.519 10.483 ( 0.423 0.962 3.500) 3.655 10.559 ( -1.565 -1.066 1.539) 2.440 12.009 ( -0.329 -0.078 0.166) 0.377 12.029 ( 0.619 0.344 -2.471) 2.570 13.755 ( 2.618 0.531 -1.777) 3.209 13.854 ( 1.507 1.358 -1.045) 2.282 13.905 ( 0.531 0.861 1.197) 1.567 14.060 ( 0.847 0.985 1.612) 2.071 14.249 ( 1.245 3.100 -6.290) 7.122 14.362 ( -6.695 3.795 10.343) 12.892 14.516 ( -1.102 -2.080 1.661) 2.881 14.605 ( -0.239 -1.586 -5.942) 6.154 15.385 ( 0.046 0.614 2.647) 2.717 15.441 ( 1.110 1.503 -1.928) 2.685 15.882 ( 3.690 1.319 0.674) 3.977 15.912 ( 1.654 0.806 2.440) 3.056 16.223 ( 1.802 0.255 -6.733) 6.975 16.333 ( 0.788 2.980 -0.118) 3.085 16.589 ( -1.588 2.077 -1.758) 3.151 16.667 ( -2.998 0.693 5.621) 6.408 17.336 ( -1.352 -1.336 1.516) 2.431 17.423 ( -2.426 -2.262 -1.324) 3.571 20.305 ( -0.111 0.608 -5.637) 5.671 20.458 ( -3.832 0.873 5.436) 6.708 21.477 ( 0.709 -4.506 -2.218) 5.072 21.546 ( -1.579 -4.203 1.945) 4.893 25.143 ( -4.771 5.503 -6.087) 9.492 25.203 ( -8.629 4.102 6.457) 11.532 27.774 ( -4.046 2.084 -2.089) 5.008 27.836 ( -6.197 2.141 1.850) 6.813 28.702 ( -0.468 0.094 -0.811) 0.941 28.723 ( -1.553 0.137 0.854) 1.778 29.271 ( 0.183 -0.395 -0.728) 0.849 29.303 ( -0.930 -0.231 0.640) 1.152 31.853 ( 1.424 -3.667 -0.091) 3.934 31.861 ( 1.280 -3.780 0.114) 3.993 33.045 ( 5.525 5.146 0.190) 7.552 33.188 ( 1.491 2.455 -0.669) 2.949 33.368 ( 5.143 -0.408 1.360) 5.335 33.398 ( 6.632 0.518 -1.013) 6.729 33.493 ( 3.971 -6.394 0.693) 7.558 33.601 ( 2.220 -6.344 -0.651) 6.753 34.175 ( 0.518 -8.994 -0.427) 9.019 34.207 ( -1.466 -5.447 0.592) 5.672 36.017 ( 5.686 7.185 -3.498) 9.808 36.071 ( 2.132 7.967 3.425) 8.931 ======================= Grid point 166 (70/102) ======================= q-point: ( 0.55 0.27 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.270 -6.871 15.649) 17.093 1.389 ( -1.896 1.315 -20.091) 20.223 1.756 ( 9.622 3.246 7.120) 12.403 1.959 ( 9.997 5.803 -1.031) 11.605 2.274 ( 2.925 11.435 -1.014) 11.847 2.361 ( 1.985 -1.101 6.582) 6.963 2.482 ( -0.072 5.625 4.018) 6.913 2.512 ( 8.671 12.629 -6.876) 16.791 2.691 ( 2.398 -5.678 -1.889) 6.447 2.739 ( 2.165 -4.401 -1.593) 5.157 2.855 ( -5.982 -3.678 0.554) 7.044 2.890 ( 0.989 -3.813 0.590) 3.983 3.031 ( -0.082 2.430 -0.640) 2.514 3.078 ( -5.728 -9.284 0.337) 10.914 3.262 ( 0.126 -0.244 -6.080) 6.086 3.283 ( -1.508 2.012 6.972) 7.412 3.358 ( 9.328 0.889 6.201) 11.236 3.433 ( -1.919 -3.016 0.358) 3.592 3.468 ( -1.244 0.467 -2.428) 2.768 3.571 ( -7.184 -2.711 -6.075) 9.791 3.685 ( 4.167 4.588 0.189) 6.201 3.797 ( -4.781 -5.706 -1.506) 7.595 3.909 ( 5.622 -4.115 0.155) 6.969 3.971 ( 4.450 0.450 3.542) 5.705 4.316 ( -4.411 3.472 3.721) 6.735 4.389 ( -3.104 5.915 -3.989) 7.780 4.644 ( 2.121 10.090 -0.212) 10.313 4.659 ( -1.643 8.746 -1.179) 8.976 4.932 ( 5.191 2.066 1.712) 5.843 5.097 ( 2.764 1.133 -2.156) 3.684 5.234 ( 9.970 4.776 -1.973) 11.229 5.306 ( -0.295 -0.116 8.729) 8.735 5.471 ( -0.934 1.925 -0.761) 2.271 5.546 ( -0.589 3.420 -5.339) 6.367 5.664 ( -0.088 -3.939 3.619) 5.350 5.781 ( -2.704 -2.616 -2.894) 4.747 5.811 ( -0.568 -0.460 2.706) 2.803 5.882 ( -4.262 -8.952 -2.054) 10.125 6.129 ( -0.650 -4.664 -1.552) 4.958 6.219 ( -0.933 -9.553 5.586) 11.106 6.408 ( 1.186 -2.803 -2.376) 3.861 6.606 ( 3.458 -3.349 0.067) 4.814 6.691 ( -3.143 -0.195 -3.774) 4.915 6.761 ( -0.681 -0.787 -0.578) 1.191 6.917 ( -0.420 -6.773 2.262) 7.153 7.009 ( -4.380 -3.664 -0.814) 5.769 7.015 ( 1.356 5.964 3.427) 7.011 7.161 ( -2.269 -4.891 -2.021) 5.758 7.227 ( -1.869 5.573 0.944) 5.953 7.318 ( 0.015 -4.417 -0.347) 4.431 7.535 ( -0.412 2.468 -0.279) 2.518 7.577 ( 1.349 1.662 -0.002) 2.140 7.773 ( -0.630 2.308 -0.004) 2.392 7.824 ( 1.237 1.882 1.374) 2.638 7.869 ( 1.043 1.922 -1.093) 2.445 7.956 ( -3.984 1.848 -0.866) 4.477 8.924 ( 1.836 -1.707 0.921) 2.671 9.057 ( -0.263 2.686 -2.057) 3.393 9.335 ( -2.206 -4.617 1.719) 5.398 9.391 ( -2.144 -1.738 -1.026) 2.944 10.104 ( -0.024 -0.814 1.424) 1.640 10.204 ( -1.445 -3.082 -4.481) 5.627 10.478 ( 0.858 0.764 4.624) 4.765 10.567 ( -1.212 -1.258 0.278) 1.769 12.006 ( -0.291 0.142 -0.141) 0.353 12.025 ( 0.231 0.269 -1.875) 1.908 13.766 ( 2.518 0.968 -0.782) 2.809 13.835 ( 0.644 1.848 -0.844) 2.131 13.903 ( 1.487 0.718 3.464) 3.837 14.048 ( 0.659 1.524 2.339) 2.869 14.202 ( 1.097 2.894 -4.867) 5.768 14.250 ( -6.297 3.040 4.565) 8.351 14.538 ( -0.939 -1.411 1.876) 2.528 14.626 ( 0.170 -1.791 -6.553) 6.796 15.387 ( 0.275 -0.389 2.395) 2.442 15.435 ( 0.790 -0.074 -1.303) 1.525 15.884 ( 2.654 2.166 0.476) 3.459 15.905 ( 0.310 1.360 2.724) 3.060 16.225 ( 1.408 0.662 -3.882) 4.182 16.284 ( -0.013 3.067 -1.302) 3.332 16.550 ( 0.495 1.832 -0.430) 1.946 16.634 ( -2.543 0.591 2.832) 3.852 17.360 ( -0.438 -2.053 2.105) 2.973 17.441 ( -1.585 -2.307 -1.868) 3.365 20.296 ( 1.301 0.659 -2.371) 2.784 20.416 ( -3.392 0.403 2.270) 4.102 21.560 ( 0.880 -4.386 -1.141) 4.616 21.604 ( -1.452 -3.901 1.044) 4.291 25.024 ( -1.266 4.516 -1.924) 5.069 25.093 ( -4.379 2.343 2.060) 5.377 27.715 ( -1.700 1.402 -0.769) 2.333 27.763 ( -3.639 1.021 0.671) 3.839 28.699 ( 0.042 -0.026 -0.254) 0.259 28.713 ( -0.735 -0.081 0.266) 0.786 29.280 ( 0.385 -0.341 -0.441) 0.678 29.299 ( -0.745 -0.214 0.403) 0.874 31.927 ( 0.815 -3.698 0.070) 3.788 31.935 ( 0.640 -3.771 -0.056) 3.825 33.007 ( 5.006 5.401 0.386) 7.374 33.129 ( -0.298 4.753 -0.712) 4.815 33.345 ( 5.891 7.014 0.388) 9.168 33.412 ( 3.299 4.741 -0.258) 5.782 33.665 ( 1.470 -9.813 1.758) 10.077 33.771 ( -0.362 -11.506 -1.914) 11.670 34.283 ( -1.650 -6.367 1.883) 6.842 34.338 ( -1.059 -9.788 -1.515) 9.961 35.921 ( 3.411 8.633 -1.801) 9.456 35.942 ( 0.910 9.073 1.790) 9.293 ======================= Grid point 167 (71/102) ======================= q-point: ( 0.64 0.27 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.803 -8.869 15.918) 18.240 1.380 ( 3.374 -2.216 -17.428) 17.889 1.777 ( 8.768 3.289 5.298) 10.759 1.939 ( 4.130 7.855 0.240) 8.877 2.102 ( 1.338 6.705 -1.668) 7.037 2.152 ( -4.041 10.336 -1.587) 11.211 2.460 ( 5.612 4.230 2.428) 7.435 2.503 ( 4.768 2.812 3.761) 6.692 2.660 ( -2.709 3.115 -4.636) 6.207 2.736 ( -3.952 1.588 -0.863) 4.346 2.894 ( -2.979 -4.329 -1.262) 5.404 2.975 ( 0.911 -1.010 -8.472) 8.581 3.042 ( 5.313 -0.653 -0.416) 5.369 3.148 ( -3.181 -2.068 1.738) 4.173 3.234 ( 3.034 0.507 5.829) 6.591 3.294 ( 0.047 0.795 0.194) 0.820 3.389 ( -1.745 3.144 7.609) 8.416 3.410 ( 2.634 1.933 4.159) 5.288 3.498 ( -3.970 1.160 -4.001) 5.755 3.621 ( 2.000 -11.437 -5.067) 12.668 3.677 ( 1.229 0.671 1.185) 1.835 3.819 ( -5.345 -1.362 -3.434) 6.497 4.026 ( 0.071 -2.096 5.297) 5.697 4.094 ( 4.528 -8.060 0.268) 9.249 4.214 ( -1.845 3.582 5.576) 6.879 4.270 ( 0.005 3.872 -5.381) 6.629 4.400 ( -1.517 16.794 -0.526) 16.871 4.469 ( -6.489 5.172 -3.783) 9.120 4.930 ( 3.953 3.253 1.254) 5.271 5.049 ( -0.847 5.140 -2.949) 5.986 5.249 ( 5.987 3.181 2.059) 7.085 5.309 ( 0.266 0.362 3.511) 3.539 5.444 ( -2.938 -0.406 0.466) 3.003 5.505 ( 0.366 0.217 -7.673) 7.685 5.756 ( -0.285 -5.397 6.508) 8.460 5.830 ( -1.292 -3.983 2.793) 5.033 5.866 ( 5.041 -5.685 0.486) 7.613 6.016 ( -3.036 -9.673 -4.465) 11.077 6.142 ( -0.638 0.910 1.251) 1.673 6.309 ( -6.709 -2.083 -1.308) 7.145 6.497 ( 4.667 -3.254 -3.748) 6.813 6.565 ( -0.325 3.791 1.471) 4.079 6.727 ( 3.271 0.211 -0.005) 3.278 6.802 ( -0.429 -5.225 -2.154) 5.668 6.930 ( -2.133 1.085 4.397) 5.006 7.007 ( 1.402 0.956 3.414) 3.812 7.035 ( -1.987 -2.799 -1.807) 3.879 7.110 ( -2.658 3.345 -0.706) 4.330 7.237 ( 0.530 -4.336 2.773) 5.174 7.395 ( 0.350 -4.377 -3.431) 5.573 7.491 ( 0.370 2.370 0.263) 2.413 7.565 ( -0.339 0.878 -1.034) 1.398 7.756 ( 0.939 -0.019 1.028) 1.392 7.811 ( 0.299 0.740 0.864) 1.177 7.846 ( 1.205 1.613 -1.555) 2.544 7.897 ( -2.682 0.867 -0.830) 2.938 8.958 ( 1.188 -0.190 1.356) 1.813 9.015 ( -0.398 1.394 -2.098) 2.550 9.384 ( -1.209 -2.892 2.934) 4.293 9.429 ( -0.581 -4.178 -2.133) 4.727 10.126 ( 0.584 -1.252 2.345) 2.722 10.234 ( -1.457 -2.569 -5.718) 6.436 10.486 ( 1.581 0.265 5.357) 5.591 10.578 ( -1.023 -1.292 -1.041) 1.949 11.999 ( -0.054 0.322 -0.029) 0.328 12.021 ( -0.228 0.054 -1.431) 1.450 13.767 ( 1.786 1.117 -0.319) 2.130 13.806 ( 0.026 1.670 -1.412) 2.187 13.919 ( 2.537 0.258 6.577) 7.054 14.029 ( 0.532 1.694 3.083) 3.558 14.148 ( -1.446 3.435 -2.223) 4.339 14.171 ( -3.580 0.090 -2.027) 4.115 14.550 ( -0.943 -0.692 2.533) 2.790 14.651 ( 0.838 -1.490 -7.713) 7.900 15.406 ( 0.225 -1.093 3.161) 3.352 15.455 ( 0.389 -1.730 -1.194) 2.137 15.860 ( 2.011 3.120 0.554) 3.753 15.880 ( -0.858 1.591 1.955) 2.662 16.212 ( 0.369 1.616 -1.917) 2.534 16.227 ( -0.446 3.005 -1.586) 3.427 16.534 ( 1.793 1.352 1.356) 2.623 16.610 ( -2.073 -0.190 -0.270) 2.099 17.399 ( 0.132 -2.360 2.564) 3.487 17.467 ( -0.782 -2.230 -2.272) 3.278 20.299 ( 1.982 0.711 0.959) 2.314 20.392 ( -2.647 -0.869 -0.949) 2.944 21.632 ( 0.767 -2.992 -0.138) 3.091 21.653 ( -0.948 -3.146 0.115) 3.287 24.964 ( 0.874 2.346 1.174) 2.765 25.042 ( -2.402 -0.019 -1.194) 2.683 27.697 ( 0.107 -0.214 0.559) 0.608 27.737 ( -1.743 -0.959 -0.548) 2.064 28.702 ( 0.147 -0.212 0.170) 0.309 28.711 ( -0.253 -0.198 -0.179) 0.368 29.288 ( 0.463 -0.233 -0.176) 0.548 29.297 ( -0.551 -0.203 0.174) 0.613 31.990 ( 0.430 -2.909 0.200) 2.947 31.997 ( 0.273 -2.926 -0.207) 2.946 32.953 ( 3.559 5.810 0.913) 6.874 33.027 ( -1.813 5.668 -1.164) 6.063 33.261 ( 3.911 8.032 0.461) 8.945 33.315 ( -0.606 7.511 -0.356) 7.544 33.831 ( 1.106 -7.340 2.863) 7.956 33.937 ( -1.315 -8.535 -3.544) 9.335 34.399 ( 0.533 -7.461 3.172) 8.125 34.488 ( -1.332 -9.509 -2.339) 9.883 35.789 ( 0.608 9.178 0.009) 9.198 35.790 ( 0.441 9.105 0.006) 9.116 ======================= Grid point 168 (72/102) ======================= q-point: (-0.27 0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -4.903 -3.939 12.696) 14.169 1.433 ( 4.687 2.221 -13.315) 14.290 1.804 ( 1.016 -1.499 2.227) 2.870 1.837 ( 4.095 5.068 -0.552) 6.540 2.036 ( -8.054 -3.658 4.602) 9.972 2.120 ( 1.894 -2.155 -4.106) 5.009 2.420 ( 0.356 3.123 1.571) 3.513 2.467 ( 3.452 3.527 -1.430) 5.138 2.643 ( 2.822 0.447 -0.445) 2.892 2.652 ( -6.234 1.515 -0.561) 6.440 2.894 ( -2.282 0.192 -3.413) 4.110 2.937 ( -2.787 4.571 -8.073) 9.687 3.058 ( 5.113 4.503 1.496) 6.976 3.086 ( -2.996 5.790 -1.606) 6.714 3.247 ( 2.566 4.466 2.814) 5.869 3.251 ( 2.848 1.736 6.482) 7.289 3.319 ( -0.219 2.234 4.034) 4.617 3.455 ( -4.363 -0.921 -5.924) 7.414 3.516 ( 10.423 -3.142 11.836) 16.081 3.673 ( -4.413 -0.447 1.066) 4.562 3.738 ( -4.565 -3.312 -3.068) 6.420 3.762 ( -1.483 -0.939 -3.373) 3.803 3.973 ( 1.092 13.725 2.212) 13.945 4.011 ( 0.700 9.321 -1.843) 9.527 4.124 ( 1.338 5.494 4.218) 7.055 4.221 ( -0.225 4.807 -5.108) 7.017 4.407 ( 0.021 -13.929 2.080) 14.084 4.467 ( -0.890 -7.738 -3.862) 8.694 4.868 ( 0.045 9.280 2.278) 9.556 4.913 ( 1.502 7.840 -2.289) 8.305 5.254 ( -0.776 -0.991 1.791) 2.189 5.308 ( 2.146 1.709 -1.435) 3.096 5.439 ( -3.484 -2.802 0.911) 4.563 5.521 ( 1.604 -1.754 -5.275) 5.786 5.838 ( 0.891 -3.068 5.864) 6.677 5.901 ( -3.827 -2.613 -0.228) 4.639 6.010 ( 6.913 -2.461 7.074) 10.192 6.111 ( -4.865 -7.999 -0.968) 9.412 6.173 ( 1.361 -1.026 -2.760) 3.244 6.223 ( -3.662 -4.814 -8.258) 10.236 6.469 ( 1.041 6.213 5.832) 8.585 6.582 ( 1.453 2.628 -6.242) 6.927 6.745 ( -0.014 0.777 5.849) 5.901 6.840 ( 0.471 -0.671 -3.090) 3.196 6.917 ( -1.509 -2.113 2.633) 3.698 6.981 ( 1.362 1.058 -2.050) 2.679 7.071 ( 0.701 -1.693 1.819) 2.582 7.097 ( 0.467 -1.719 -0.479) 1.845 7.300 ( 1.432 -0.821 6.584) 6.787 7.434 ( -5.294 -1.481 -6.011) 8.146 7.471 ( 4.248 2.506 2.556) 5.554 7.533 ( -1.106 1.106 -2.635) 3.064 7.775 ( -0.374 -1.045 1.131) 1.585 7.814 ( -2.667 -2.833 -1.495) 4.168 7.849 ( 3.392 0.008 0.511) 3.431 7.878 ( -0.917 -0.540 -1.429) 1.782 8.954 ( -0.507 0.812 1.995) 2.213 9.002 ( 0.713 0.182 -2.896) 2.988 9.431 ( -0.821 -3.263 4.087) 5.294 9.499 ( 0.424 -4.206 -2.752) 5.045 10.162 ( 1.174 -1.477 3.129) 3.654 10.248 ( -1.875 -1.681 -6.113) 6.611 10.511 ( 2.070 -0.324 5.651) 6.027 10.586 ( -1.064 -0.983 -2.578) 2.957 11.995 ( 0.276 0.274 0.656) 0.762 12.016 ( -0.502 -0.122 -1.420) 1.511 13.762 ( 0.847 0.924 -0.254) 1.279 13.780 ( -0.204 0.946 -1.862) 2.098 13.959 ( 3.399 -0.513 9.051) 9.681 14.011 ( 0.543 1.347 3.367) 3.667 14.081 ( -2.087 2.004 -1.721) 3.366 14.151 ( -2.675 -1.501 -4.731) 5.638 14.551 ( -0.953 -0.082 2.945) 3.096 14.672 ( 1.310 -0.868 -8.980) 9.117 15.431 ( -0.128 -1.103 4.660) 4.791 15.491 ( -0.009 -2.154 -1.681) 2.732 15.823 ( 1.697 3.294 1.626) 4.046 15.840 ( -1.290 1.871 -0.240) 2.286 16.173 ( -0.324 2.475 -0.732) 2.601 16.176 ( -0.230 2.590 -1.167) 2.850 16.538 ( 2.174 0.734 3.249) 3.978 16.603 ( -1.886 -1.480 -3.311) 4.088 17.444 ( 0.122 -2.258 2.852) 3.640 17.497 ( -0.146 -2.167 -2.450) 3.275 20.313 ( 2.093 0.238 4.173) 4.674 20.395 ( -2.029 -2.333 -4.063) 5.105 21.671 ( 0.218 -1.107 1.170) 1.625 21.694 ( -0.210 -2.223 -1.175) 2.523 24.965 ( 1.856 -0.715 4.040) 4.503 25.047 ( -1.949 -3.430 -4.164) 5.736 27.725 ( 0.954 -2.393 1.810) 3.149 27.761 ( -0.885 -3.334 -1.711) 3.850 28.709 ( -0.088 -0.558 0.314) 0.646 28.715 ( 0.091 -0.448 -0.335) 0.567 29.294 ( -0.006 -0.118 0.175) 0.211 29.298 ( 0.007 -0.277 -0.160) 0.320 32.029 ( -0.078 -1.314 0.326) 1.356 32.036 ( 0.093 -1.440 -0.362) 1.487 32.876 ( -0.472 5.519 2.002) 5.890 32.917 ( 0.480 5.485 -2.175) 5.920 33.151 ( 0.011 7.672 0.918) 7.727 33.169 ( -0.022 7.919 -0.830) 7.962 33.926 ( 0.732 -2.124 4.099) 4.674 34.017 ( -0.996 -2.849 -5.215) 6.026 34.531 ( 0.718 -5.987 5.568) 8.207 34.629 ( -0.444 -8.287 -4.368) 9.378 35.635 ( -0.611 8.437 0.505) 8.474 35.644 ( 0.588 8.602 -0.463) 8.634 ======================= Grid point 169 (73/102) ======================= q-point: (-0.18 0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -10.004 4.880 3.960) 11.815 1.336 ( 2.720 8.000 -3.363) 9.095 1.795 ( -6.179 -0.988 -2.409) 6.705 1.868 ( -2.241 3.055 4.400) 5.806 2.020 ( -7.447 -6.613 -0.126) 9.961 2.177 ( -4.709 -3.826 1.606) 6.277 2.319 ( -4.605 8.585 -6.866) 11.918 2.443 ( -2.372 -0.845 2.565) 3.594 2.561 ( -1.886 3.324 1.097) 3.976 2.670 ( 2.940 6.762 0.641) 7.402 2.765 ( 2.640 6.758 -0.848) 7.305 2.896 ( 1.647 -1.155 -4.651) 5.067 2.983 ( 0.653 2.478 -1.781) 3.121 3.092 ( 11.070 1.092 0.574) 11.138 3.198 ( -0.651 1.670 0.607) 1.892 3.211 ( -0.717 1.551 1.767) 2.458 3.370 ( 4.130 -1.358 7.741) 8.878 3.421 ( -0.311 0.210 -4.341) 4.357 3.565 ( -4.852 2.899 -5.464) 7.861 3.631 ( 4.901 1.826 7.444) 9.098 3.762 ( 3.568 0.141 1.018) 3.713 3.776 ( -2.968 6.313 2.107) 7.287 3.854 ( 0.830 0.641 -1.842) 2.120 3.886 ( 7.429 -3.144 1.045) 8.135 4.066 ( -3.667 3.161 0.695) 4.891 4.201 ( 5.370 1.089 -3.299) 6.396 4.489 ( -3.038 2.362 -0.661) 3.905 4.611 ( 4.513 -1.875 -2.230) 5.372 4.705 ( -2.013 3.463 3.489) 5.312 4.803 ( 3.094 8.205 -3.460) 9.427 5.260 ( -5.474 1.998 -1.769) 6.090 5.270 ( -6.182 -3.924 -2.097) 7.616 5.453 ( 0.259 -0.003 2.256) 2.271 5.576 ( 3.526 -1.054 0.129) 3.683 5.814 ( -5.161 1.789 -0.705) 5.508 5.881 ( 1.231 -0.069 1.138) 1.678 6.123 ( 3.121 -2.998 10.725) 11.565 6.200 ( -1.790 -2.831 3.145) 4.594 6.237 ( -1.918 -9.903 -5.378) 11.431 6.349 ( -4.445 -1.815 -2.465) 5.397 6.415 ( 6.668 -2.723 -4.399) 8.440 6.473 ( 6.513 6.600 -2.317) 9.558 6.712 ( -3.918 0.356 4.621) 6.069 6.895 ( 4.850 -1.740 -1.160) 5.281 6.947 ( -2.663 -2.166 -0.149) 3.436 6.997 ( 2.925 0.010 -2.044) 3.568 7.097 ( 1.078 0.271 2.415) 2.658 7.129 ( 0.219 -0.901 -2.442) 2.612 7.299 ( -0.486 2.928 4.760) 5.610 7.371 ( -4.502 -0.784 2.022) 4.997 7.449 ( 3.577 4.613 -1.446) 6.014 7.502 ( -1.121 2.077 -2.721) 3.602 7.803 ( 0.515 -1.387 2.205) 2.655 7.822 ( -3.058 -1.303 -1.748) 3.756 7.876 ( -1.926 -2.059 1.569) 3.227 7.920 ( 0.782 -4.086 -3.393) 5.368 8.937 ( -1.044 0.600 2.064) 2.389 9.007 ( 1.175 -0.059 -3.508) 3.700 9.483 ( -1.376 -3.320 4.996) 6.154 9.568 ( 0.422 -3.667 -2.683) 4.563 10.201 ( 1.267 -1.210 3.447) 3.867 10.241 ( -2.207 -0.591 -5.255) 5.730 10.541 ( 0.746 -0.554 3.983) 4.090 10.587 ( -0.256 -0.488 -2.835) 2.888 11.997 ( 0.505 0.175 1.451) 1.546 12.012 ( -0.494 -0.217 -1.590) 1.679 13.753 ( 0.004 0.542 -0.267) 0.604 13.768 ( 0.037 0.161 -1.773) 1.781 13.983 ( 0.203 0.966 2.368) 2.565 14.023 ( 1.783 0.864 -0.320) 2.007 14.054 ( 0.154 -2.111 9.956) 10.178 14.163 ( -2.223 -3.400 -5.370) 6.734 14.544 ( -0.800 0.244 2.661) 2.789 14.685 ( 1.410 -0.427 -9.711) 9.822 15.447 ( -1.002 -0.451 5.490) 5.598 15.514 ( -0.741 -0.975 -2.150) 2.474 15.788 ( 0.823 2.325 1.117) 2.707 15.799 ( 0.267 2.112 -0.740) 2.254 16.124 ( -0.539 2.601 -0.503) 2.703 16.138 ( 1.197 2.039 0.133) 2.368 16.560 ( 1.953 -0.477 5.252) 5.624 16.616 ( -1.948 -2.790 -6.400) 7.249 17.478 ( -0.905 -1.670 2.633) 3.247 17.532 ( 0.354 -2.190 -1.997) 2.985 20.343 ( 2.013 -0.868 7.139) 7.468 20.418 ( -2.141 -3.298 -6.924) 7.962 21.682 ( 0.211 0.138 2.286) 2.300 21.714 ( -0.497 -0.699 -2.302) 2.456 25.035 ( 1.726 -4.818 7.572) 9.139 25.119 ( -2.802 -8.574 -7.700) 11.860 27.797 ( 0.595 -4.754 2.844) 5.572 27.825 ( -1.161 -5.546 -2.691) 6.273 28.721 ( -0.433 -1.168 0.009) 1.246 28.728 ( 0.098 -1.003 -0.041) 1.009 29.295 ( -0.334 -0.154 0.088) 0.378 29.304 ( 0.276 -0.270 -0.073) 0.393 32.032 ( -0.600 0.720 0.344) 0.999 32.043 ( -0.285 0.612 -0.405) 0.787 32.770 ( -2.780 4.536 1.029) 5.419 32.854 ( 3.767 4.387 -1.105) 5.887 33.007 ( -2.731 6.416 0.131) 6.975 33.068 ( 3.390 6.491 -0.099) 7.323 33.921 ( -0.042 3.771 3.952) 5.462 34.003 ( 0.326 3.456 -5.163) 6.221 34.610 ( -0.715 -1.954 7.702) 7.978 34.732 ( -1.457 -4.954 -6.586) 8.369 35.502 ( 1.105 7.114 0.228) 7.203 35.527 ( 2.511 6.231 -0.054) 6.718 ======================= Grid point 170 (74/102) ======================= q-point: (-0.09 0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -13.987 14.705 -5.923) 21.142 1.284 ( 0.952 1.803 3.475) 4.029 1.609 ( -9.499 8.789 -3.922) 13.523 1.822 ( -4.196 1.641 10.476) 11.404 1.939 ( -2.686 10.767 3.165) 11.540 2.100 ( -4.479 7.084 -8.265) 11.771 2.155 ( -1.576 2.899 -0.715) 3.376 2.409 ( 1.871 6.729 -1.535) 7.151 2.559 ( 6.542 4.772 0.122) 8.098 2.632 ( 2.848 -7.392 2.224) 8.227 2.667 ( 6.344 9.716 -0.024) 11.604 2.897 ( -4.305 0.514 -0.673) 4.388 2.994 ( 6.017 4.132 -2.639) 7.762 3.134 ( 1.027 1.065 -3.193) 3.519 3.209 ( -2.524 -2.810 4.145) 5.608 3.214 ( 3.450 1.115 -1.644) 3.981 3.384 ( 1.933 4.485 0.456) 4.905 3.460 ( 5.618 0.247 6.672) 8.726 3.545 ( 2.057 -2.450 -3.039) 4.412 3.629 ( -1.432 -0.598 -4.323) 4.593 3.698 ( -4.035 -1.358 8.569) 9.569 3.774 ( 0.588 -1.134 -4.152) 4.344 3.919 ( 2.987 -4.108 0.559) 5.110 4.011 ( 5.792 -0.257 7.753) 9.681 4.049 ( 4.169 -3.142 -5.083) 7.286 4.213 ( 7.451 3.542 -4.864) 9.577 4.367 ( -1.408 5.352 0.669) 5.574 4.600 ( 7.708 6.112 -4.718) 10.910 4.670 ( -4.175 2.276 0.249) 4.762 4.742 ( -0.639 -2.956 1.706) 3.472 5.137 ( -5.407 4.145 -0.467) 6.829 5.281 ( -9.394 -5.995 -2.113) 11.343 5.500 ( 2.752 -3.347 5.364) 6.896 5.545 ( -4.937 3.697 4.947) 7.906 5.777 ( 3.102 3.061 -4.935) 6.584 5.897 ( -1.158 0.159 -2.213) 2.503 6.127 ( -3.520 2.364 5.924) 7.285 6.187 ( -1.686 -2.615 1.342) 3.388 6.331 ( -2.847 -4.939 -6.715) 8.808 6.415 ( 0.477 -4.403 8.015) 9.157 6.464 ( 4.325 -1.985 -5.656) 7.392 6.581 ( 5.130 -3.270 -3.340) 6.940 6.743 ( 3.608 -4.246 3.540) 6.601 6.914 ( -2.656 3.001 -1.072) 4.149 6.916 ( -1.230 2.166 2.079) 3.245 7.006 ( 0.820 -0.029 -4.877) 4.945 7.064 ( 1.565 3.973 1.215) 4.440 7.172 ( 5.330 -3.051 -2.477) 6.623 7.240 ( -3.160 4.048 4.626) 6.912 7.363 ( 0.162 1.134 1.447) 1.846 7.435 ( 0.426 3.076 1.413) 3.411 7.454 ( 4.893 -1.354 -0.840) 5.146 7.788 ( -6.786 -1.568 -2.502) 7.400 7.801 ( -1.089 2.074 -0.415) 2.379 7.897 ( -3.800 -1.090 -0.685) 4.012 8.002 ( 1.111 -5.739 0.783) 5.898 8.918 ( -1.168 0.616 1.775) 2.213 9.015 ( 1.380 0.141 -3.892) 4.132 9.526 ( -2.514 -2.973 5.264) 6.548 9.615 ( -1.131 -2.313 -2.454) 3.557 10.205 ( -2.839 0.217 -3.722) 4.686 10.241 ( 1.667 -0.139 3.968) 4.306 10.537 ( -2.588 -0.148 -2.652) 3.708 10.601 ( 1.650 -0.109 1.698) 2.370 12.000 ( 0.327 0.202 1.361) 1.415 12.012 ( -0.082 -0.247 -1.109) 1.139 13.743 ( -0.437 0.286 -0.438) 0.682 13.771 ( 0.409 -0.417 -1.243) 1.374 13.970 ( -0.146 0.561 0.439) 0.727 14.005 ( -0.481 0.515 -2.475) 2.574 14.145 ( -0.080 -5.275 6.770) 8.583 14.221 ( 0.243 -5.061 3.398) 6.101 14.536 ( -0.299 0.186 1.196) 1.247 14.694 ( 1.159 -0.682 -9.389) 9.485 15.434 ( -2.396 0.673 3.799) 4.542 15.498 ( -2.055 1.024 -1.700) 2.857 15.765 ( 0.511 0.979 -2.891) 3.094 15.778 ( 2.482 1.948 2.908) 4.290 16.086 ( 0.954 1.814 0.678) 2.159 16.130 ( 2.812 1.097 0.340) 3.037 16.605 ( 1.230 -2.344 6.388) 6.915 16.645 ( -2.008 -3.787 -8.517) 9.535 17.488 ( -2.311 -0.954 2.183) 3.319 17.567 ( -0.140 -1.781 -1.199) 2.151 20.396 ( 1.586 -2.062 10.040) 10.372 20.445 ( -2.915 -3.638 -9.620) 10.690 21.674 ( -0.378 1.252 2.443) 2.771 21.701 ( -1.080 0.991 -2.576) 2.964 25.181 ( -0.177 -10.188 12.726) 16.303 25.268 ( -5.669 -14.932 -12.562) 20.320 27.896 ( -1.515 -6.648 1.863) 7.068 27.915 ( -1.988 -6.944 -1.760) 7.434 28.741 ( -1.054 -1.994 -0.459) 2.302 28.752 ( -0.381 -1.919 0.417) 2.000 29.294 ( -0.420 -0.115 -0.047) 0.438 29.312 ( 0.230 -0.318 0.047) 0.395 31.995 ( -1.000 2.754 0.201) 2.937 32.006 ( -0.895 3.082 -0.254) 3.220 32.690 ( -0.503 2.690 0.478) 2.778 32.835 ( 5.537 2.847 -0.460) 6.243 32.908 ( 0.565 3.411 -0.020) 3.458 33.013 ( 5.260 4.510 -0.054) 6.929 33.809 ( -0.750 9.103 1.522) 9.260 33.896 ( 1.464 9.423 -2.325) 9.816 34.588 ( -2.581 4.307 9.440) 10.693 34.729 ( -5.859 0.897 -9.054) 10.822 35.435 ( 6.222 3.981 -1.013) 7.456 35.501 ( 7.009 1.729 1.411) 7.356 ======================= Grid point 175 (75/102) ======================= q-point: ( 0.36 0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -3.832 -0.000 1.658) 4.175 1.313 ( 3.547 0.000 -1.268) 3.767 1.697 ( 9.251 0.000 9.816) 13.488 1.851 ( 8.719 0.000 -0.400) 8.728 1.900 ( 0.266 0.000 -5.374) 5.380 2.059 ( 1.701 0.000 -6.097) 6.330 2.215 ( 7.919 0.000 7.299) 10.769 2.330 ( 3.049 0.000 -4.918) 5.787 2.522 ( 5.007 0.000 -8.415) 9.792 2.678 ( 12.063 0.000 4.477) 12.867 2.836 ( -5.963 -0.000 1.305) 6.104 2.956 ( 1.072 0.000 5.128) 5.239 3.147 ( -13.604 -0.000 2.847) 13.899 3.263 ( 10.181 0.000 3.922) 10.911 3.267 ( -2.652 -0.000 -4.929) 5.597 3.368 ( 5.852 0.000 -6.033) 8.405 3.438 ( 2.582 0.000 3.786) 4.582 3.455 ( 3.624 0.000 -9.635) 10.294 3.613 ( 7.077 0.000 -3.623) 7.951 3.714 ( 2.460 0.000 0.614) 2.535 3.721 ( -3.191 -0.000 4.931) 5.874 3.831 ( 11.607 0.000 5.174) 12.708 3.937 ( 1.491 0.000 5.172) 5.383 4.034 ( -2.296 -0.000 -7.236) 7.592 4.463 ( 0.907 0.000 -3.109) 3.238 4.694 ( 4.479 0.000 4.905) 6.643 4.721 ( -1.771 -0.000 4.262) 4.616 4.857 ( -3.038 -0.000 -2.418) 3.883 4.879 ( 4.417 0.000 7.397) 8.615 5.103 ( 0.755 0.000 -3.356) 3.440 5.279 ( -4.572 -0.000 -4.889) 6.694 5.292 ( -0.124 -0.000 4.642) 4.644 5.523 ( -0.033 -0.000 -1.631) 1.631 5.560 ( 5.488 0.000 -1.491) 5.686 5.566 ( 0.233 0.000 1.754) 1.769 5.641 ( -1.585 -0.000 2.167) 2.685 5.717 ( 1.360 0.000 -2.929) 3.229 5.805 ( -5.256 -0.000 0.955) 5.342 5.993 ( -2.131 -0.000 -13.324) 13.493 6.203 ( -0.868 -0.000 13.010) 13.038 6.262 ( 0.924 0.000 -1.078) 1.420 6.418 ( -2.565 -0.000 -5.119) 5.726 6.553 ( 1.688 0.000 1.981) 2.603 6.683 ( -0.444 -0.000 1.727) 1.783 6.820 ( -7.374 -0.000 -1.281) 7.485 6.870 ( -1.951 -0.000 0.909) 2.153 6.993 ( 2.106 0.000 -7.872) 8.149 7.033 ( -0.600 -0.000 6.423) 6.451 7.343 ( 1.552 0.000 -0.584) 1.658 7.377 ( 2.473 0.000 0.569) 2.537 7.578 ( -0.300 -0.000 0.194) 0.357 7.699 ( -3.972 -0.000 4.780) 6.215 7.863 ( 2.868 0.000 0.340) 2.888 7.873 ( 3.503 0.000 -0.501) 3.538 7.965 ( -5.574 -0.000 -2.295) 6.028 8.092 ( -6.816 -0.000 0.186) 6.819 8.825 ( 0.974 0.000 -0.727) 1.215 9.190 ( -3.944 -0.000 2.466) 4.652 9.192 ( -1.262 -0.000 -4.905) 5.065 9.381 ( -3.157 -0.000 -0.476) 3.192 10.089 ( -0.209 -0.000 0.176) 0.273 10.103 ( -1.538 -0.000 -1.707) 2.298 10.506 ( 0.450 0.000 2.574) 2.613 10.534 ( -1.777 -0.000 3.147) 3.614 12.007 ( -0.255 -0.000 0.197) 0.322 12.036 ( 0.681 0.000 -3.089) 3.163 13.766 ( 3.433 0.000 -0.996) 3.575 13.879 ( 2.358 0.000 -2.338) 3.321 13.922 ( -0.087 -0.000 1.362) 1.365 14.075 ( 0.764 0.000 0.932) 1.206 14.322 ( 1.307 0.000 -11.724) 11.796 14.419 ( -6.174 -0.000 12.357) 13.813 14.483 ( -3.181 -0.000 5.250) 6.139 14.572 ( 0.297 0.000 -4.705) 4.714 15.406 ( -0.200 -0.000 3.761) 3.766 15.483 ( 0.731 0.000 -2.963) 3.052 15.911 ( 4.574 0.000 0.438) 4.595 15.924 ( 2.248 0.000 3.100) 3.830 16.229 ( 2.109 0.000 -9.259) 9.496 16.394 ( -0.523 -0.000 -0.327) 0.617 16.631 ( -3.148 -0.000 -0.184) 3.153 16.675 ( -3.280 -0.000 6.094) 6.921 17.316 ( -1.721 -0.000 0.971) 1.976 17.372 ( -2.460 -0.000 -0.914) 2.624 20.317 ( -0.499 -0.000 -6.657) 6.676 20.475 ( -4.459 -0.000 6.391) 7.793 21.386 ( 1.135 0.000 -2.635) 2.869 21.456 ( -1.189 -0.000 2.310) 2.599 25.253 ( -6.897 -0.000 -8.918) 11.274 25.290 ( -12.609 -0.000 9.396) 15.724 27.815 ( -4.920 -0.000 -2.598) 5.564 27.879 ( -7.762 -0.000 2.314) 8.099 28.703 ( -0.734 -0.000 -1.300) 1.493 28.726 ( -2.393 -0.000 1.363) 2.754 29.262 ( 0.178 0.000 -0.957) 0.973 29.297 ( -1.150 -0.000 0.832) 1.419 31.783 ( 2.355 0.000 -0.251) 2.368 31.785 ( 2.021 0.000 0.285) 2.041 33.168 ( 3.194 0.000 0.826) 3.299 33.176 ( 2.690 0.000 -1.136) 2.920 33.258 ( 1.357 0.000 1.842) 2.288 33.266 ( 1.086 0.000 -1.553) 1.895 33.541 ( 9.117 0.000 -1.983) 9.330 33.560 ( 7.384 0.000 2.251) 7.720 34.015 ( 5.556 0.000 -2.668) 6.164 34.099 ( 0.763 0.000 2.560) 2.671 36.157 ( 5.863 0.000 -4.971) 7.687 36.226 ( 1.298 0.000 4.821) 4.992 ======================= Grid point 177 (76/102) ======================= q-point: ( 0.45 0.36 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.670 5.179 6.215) 8.118 1.366 ( -3.476 -3.774 -13.430) 14.377 1.796 ( 11.103 1.590 10.488) 15.356 1.966 ( 0.745 -11.310 2.731) 11.659 2.087 ( 4.016 -10.223 -0.392) 10.991 2.129 ( -0.542 -12.857 -2.279) 13.069 2.303 ( 6.997 -2.058 1.180) 7.389 2.440 ( 7.570 -7.595 3.103) 11.163 2.587 ( 6.205 -1.208 -7.993) 10.191 2.723 ( 9.478 5.819 1.388) 11.208 2.807 ( -7.611 -3.297 -0.459) 8.307 2.902 ( -10.905 2.148 5.152) 12.251 3.038 ( -4.457 0.768 -0.144) 4.525 3.210 ( -3.813 3.226 -4.596) 6.788 3.283 ( 7.370 3.901 2.494) 8.704 3.352 ( -4.693 -0.087 -0.332) 4.706 3.440 ( 1.394 2.820 -5.985) 6.762 3.501 ( 3.456 0.108 -6.065) 6.982 3.598 ( 1.830 10.955 6.428) 12.833 3.651 ( 3.534 7.116 0.573) 7.966 3.745 ( 2.104 2.463 0.288) 3.252 3.851 ( 1.296 4.529 -1.093) 4.836 3.945 ( 1.243 1.235 -1.633) 2.395 4.014 ( 2.846 -2.162 2.523) 4.375 4.467 ( 4.810 5.652 -3.761) 8.320 4.591 ( -4.904 5.739 3.551) 8.342 4.730 ( 1.696 -0.521 3.757) 4.154 4.874 ( 7.411 3.261 -2.318) 8.422 4.927 ( 2.217 -3.333 4.599) 6.097 5.095 ( 1.458 1.833 -0.882) 2.503 5.240 ( 0.454 -3.010 4.420) 5.366 5.386 ( -0.089 -3.369 -0.993) 3.513 5.514 ( 1.133 0.443 0.418) 1.286 5.609 ( 0.292 0.390 -0.792) 0.930 5.621 ( -2.572 -2.628 -0.942) 3.796 5.665 ( 0.688 -4.196 0.324) 4.264 5.721 ( 0.177 -2.396 -0.980) 2.595 5.796 ( -0.981 -1.358 2.450) 2.968 5.923 ( -3.987 1.554 -9.729) 10.628 6.104 ( -1.049 5.933 2.772) 6.633 6.333 ( 0.527 -4.359 1.317) 4.584 6.449 ( 2.304 -3.249 -0.571) 4.024 6.589 ( -0.330 -3.451 0.791) 3.555 6.704 ( -1.832 -2.588 -0.543) 3.216 6.773 ( -2.811 -0.967 0.270) 2.985 6.877 ( -2.501 -2.918 0.903) 3.948 7.016 ( 1.060 -2.144 -4.038) 4.694 7.073 ( -2.412 -3.981 1.158) 4.797 7.302 ( 3.707 4.924 0.072) 6.164 7.393 ( -0.516 1.929 1.255) 2.358 7.568 ( -1.792 0.135 1.262) 2.196 7.647 ( -2.721 1.539 0.607) 3.185 7.857 ( -0.404 1.927 -0.056) 1.970 7.898 ( 1.372 1.113 0.744) 1.917 7.921 ( 0.058 0.755 -0.477) 0.895 8.016 ( -5.519 1.641 -0.971) 5.839 8.855 ( 1.991 -1.629 1.505) 2.981 9.139 ( -4.155 0.452 -7.103) 8.242 9.200 ( 0.203 -1.213 4.728) 4.885 9.357 ( -2.718 -0.597 -1.539) 3.180 10.085 ( -0.297 -0.199 -0.206) 0.413 10.110 ( -1.089 -1.970 -1.884) 2.935 10.503 ( 0.132 0.744 3.379) 3.462 10.533 ( -1.024 -0.800 2.430) 2.756 12.005 ( -0.313 -0.060 0.147) 0.351 12.036 ( 0.502 0.195 -3.112) 3.159 13.797 ( 4.008 0.614 0.528) 4.089 13.888 ( 1.521 0.995 -1.728) 2.508 13.923 ( 0.591 0.276 2.726) 2.803 14.079 ( 0.419 0.312 0.695) 0.869 14.300 ( 0.865 2.470 -6.216) 6.744 14.352 ( -7.299 1.532 5.969) 9.553 14.479 ( -0.734 -1.192 3.136) 3.434 14.578 ( 0.239 -0.880 -5.283) 5.362 15.401 ( -0.171 0.772 3.645) 3.730 15.473 ( 0.648 1.328 -2.859) 3.219 15.935 ( 2.025 1.011 3.090) 3.830 15.946 ( 2.750 0.689 1.115) 3.046 16.240 ( 2.638 0.248 -6.482) 7.003 16.368 ( -1.363 1.549 -2.159) 2.986 16.601 ( -1.016 0.937 -0.174) 1.393 16.650 ( -3.199 0.176 5.086) 6.011 17.310 ( -0.830 -0.665 1.261) 1.650 17.366 ( -1.796 -1.642 -1.176) 2.703 20.312 ( 1.354 0.258 -4.071) 4.298 20.434 ( -4.541 0.370 3.872) 5.979 21.421 ( 1.460 -2.779 -1.759) 3.599 21.471 ( -1.592 -2.842 1.619) 3.637 25.170 ( -3.371 2.915 -5.273) 6.904 25.182 ( -7.851 1.967 5.490) 9.780 27.766 ( -2.767 1.071 -1.748) 3.444 27.808 ( -5.657 1.019 1.621) 5.972 28.698 ( -0.084 -0.031 -0.928) 0.933 28.710 ( -1.515 -0.085 0.959) 1.795 29.267 ( 0.427 -0.303 -0.747) 0.912 29.289 ( -1.100 -0.278 0.665) 1.315 31.818 ( 1.433 -2.000 0.039) 2.461 31.822 ( 1.359 -2.188 -0.001) 2.575 33.161 ( 3.070 3.299 0.368) 4.521 33.211 ( 1.112 -0.597 -1.070) 1.655 33.304 ( 1.247 -5.096 1.847) 5.562 33.341 ( 0.938 -6.383 -1.190) 6.561 33.580 ( 6.937 3.453 0.085) 7.749 33.618 ( 4.912 0.935 -0.055) 5.000 34.086 ( 3.086 -3.448 -1.948) 5.021 34.124 ( -1.346 -2.866 2.015) 3.753 36.162 ( 4.399 4.360 -3.147) 6.948 36.197 ( 0.429 4.661 3.077) 5.602 ======================= Grid point 178 (77/102) ======================= q-point: ( 0.55 0.36 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.287 0.315 14.065) 14.128 1.336 ( -3.940 -0.925 -21.648) 22.023 1.879 ( 7.488 1.442 11.195) 13.545 2.070 ( 1.297 0.719 -2.726) 3.103 2.301 ( 2.671 -11.062 6.589) 13.150 2.414 ( 1.175 -12.398 -2.507) 12.703 2.507 ( 3.745 -12.386 3.178) 13.325 2.593 ( 7.875 4.495 -1.162) 9.142 2.680 ( 0.329 5.418 -2.143) 5.836 2.693 ( 5.019 -11.684 2.238) 12.912 2.733 ( -3.254 3.416 -0.237) 4.724 2.821 ( -4.393 -0.654 4.297) 6.180 2.982 ( -4.476 1.742 -3.491) 5.938 3.085 ( -5.485 5.513 -5.735) 9.663 3.282 ( 4.186 3.156 2.946) 6.013 3.304 ( -0.690 4.565 -0.536) 4.647 3.385 ( -4.301 -0.239 -2.075) 4.781 3.433 ( -0.856 2.706 -0.271) 2.851 3.474 ( -0.219 2.158 1.395) 2.579 3.563 ( 3.719 4.041 -4.355) 7.009 3.705 ( -2.538 1.311 0.746) 2.952 3.776 ( 0.428 3.666 -2.544) 4.483 3.972 ( 6.998 1.853 0.889) 7.294 4.046 ( 2.092 2.499 1.200) 3.473 4.344 ( -6.177 6.185 8.597) 12.261 4.475 ( 1.160 6.074 -9.224) 11.105 4.743 ( 0.736 3.200 4.368) 5.465 4.853 ( 4.452 7.031 -4.939) 9.678 5.000 ( 3.835 -0.041 3.707) 5.334 5.092 ( -1.015 -1.498 -1.076) 2.106 5.300 ( 1.342 -1.127 8.842) 9.014 5.411 ( 4.982 2.968 -0.914) 5.871 5.500 ( -0.259 3.030 -0.289) 3.054 5.578 ( -0.208 0.016 3.279) 3.286 5.606 ( -5.350 -0.294 -6.352) 8.310 5.731 ( -2.354 2.225 -2.060) 3.839 5.741 ( 2.071 -5.021 -2.120) 5.830 5.786 ( -1.854 -1.869 -1.042) 2.831 5.994 ( 0.906 -10.653 0.995) 10.738 6.086 ( -0.800 -3.922 2.862) 4.921 6.408 ( 3.417 -2.064 3.344) 5.208 6.556 ( 4.580 -5.189 -0.355) 6.931 6.615 ( -5.968 -2.820 -4.001) 7.718 6.727 ( -2.540 -1.971 -3.800) 4.977 6.821 ( 2.172 -4.903 3.270) 6.281 6.906 ( -3.603 -3.607 0.563) 5.129 7.068 ( 0.760 -2.813 -0.962) 3.068 7.101 ( -1.784 -1.490 0.312) 2.345 7.275 ( 3.194 1.816 -0.980) 3.802 7.310 ( -2.041 5.583 1.368) 6.100 7.545 ( -1.700 0.465 1.607) 2.385 7.607 ( -1.159 1.159 -1.979) 2.569 7.815 ( 0.930 2.697 1.039) 3.036 7.875 ( 0.853 2.392 0.748) 2.647 7.911 ( 0.770 1.639 -0.328) 1.840 7.942 ( -4.021 1.474 -1.427) 4.514 8.913 ( 2.476 -2.052 2.770) 4.245 9.080 ( -2.929 1.484 -5.840) 6.699 9.252 ( 0.589 -3.593 3.863) 5.308 9.348 ( -1.917 -1.155 -1.667) 2.791 10.091 ( -0.098 -0.718 0.653) 0.975 10.138 ( -0.927 -2.714 -3.228) 4.318 10.499 ( 0.458 0.497 4.093) 4.148 10.542 ( -0.540 -0.797 1.036) 1.414 12.003 ( -0.376 -0.035 0.173) 0.415 12.031 ( 0.283 0.371 -2.777) 2.816 13.816 ( 3.212 1.412 0.796) 3.598 13.870 ( 0.365 1.803 -1.237) 2.217 13.932 ( 1.724 0.339 4.731) 5.047 14.073 ( 0.049 0.694 0.455) 0.831 14.227 ( -6.493 2.673 4.086) 8.124 14.279 ( 1.263 3.501 -6.171) 7.207 14.503 ( -0.821 -1.800 2.798) 3.427 14.594 ( 0.557 -1.489 -6.088) 6.293 15.392 ( -0.100 0.482 3.192) 3.230 15.451 ( 0.446 1.283 -2.294) 2.667 15.929 ( 0.192 1.372 3.583) 3.842 15.948 ( 2.102 1.821 0.438) 2.815 16.251 ( 2.404 0.740 -3.556) 4.355 16.318 ( -1.823 2.105 -2.878) 4.005 16.583 ( 0.993 1.257 0.763) 1.774 16.621 ( -2.553 0.456 2.374) 3.516 17.328 ( -0.030 -1.616 1.950) 2.532 17.385 ( -1.199 -2.323 -1.772) 3.158 20.323 ( 2.742 0.509 -1.572) 3.202 20.390 ( -4.143 0.340 1.442) 4.400 21.495 ( 1.459 -4.215 -0.793) 4.530 21.519 ( -1.655 -4.218 0.778) 4.597 25.087 ( -1.551 3.535 -0.327) 3.874 25.097 ( -2.674 2.738 0.411) 3.849 27.727 ( -0.496 1.423 -0.709) 1.665 27.749 ( -3.190 1.055 0.658) 3.424 28.698 ( -0.226 -0.081 0.249) 0.346 28.704 ( -0.302 -0.239 -0.250) 0.459 29.277 ( 0.581 -0.393 -0.409) 0.812 29.287 ( -0.878 -0.416 0.372) 1.040 31.874 ( 0.631 -3.277 0.133) 3.340 31.879 ( 0.501 -3.342 -0.100) 3.381 33.130 ( 3.174 4.021 0.702) 5.171 33.189 ( -0.856 2.950 -1.197) 3.296 33.426 ( 1.218 -5.089 2.095) 5.637 33.469 ( 1.620 -4.565 -1.764) 5.155 33.576 ( 3.175 0.660 1.508) 3.576 33.631 ( 0.974 -1.484 -1.641) 2.418 34.166 ( -1.692 -5.307 2.662) 6.174 34.197 ( 0.898 -6.219 -2.369) 6.715 36.090 ( 2.793 7.594 -1.737) 8.276 36.092 ( -0.362 7.698 1.727) 7.898 ======================= Grid point 179 (78/102) ======================= q-point: (-0.36 -0.64 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.342 -5.225 17.472) 18.240 1.324 ( 0.595 -3.559 -21.874) 22.170 1.898 ( 2.968 3.174 9.721) 10.648 2.031 ( -1.189 3.310 -4.709) 5.877 2.311 ( -1.876 13.504 2.524) 13.865 2.368 ( 3.622 14.026 -2.743) 14.744 2.517 ( -4.263 2.841 11.451) 12.545 2.632 ( -1.640 1.895 0.257) 2.520 2.662 ( 0.470 0.175 -3.069) 3.109 2.721 ( 0.385 -1.838 -8.055) 8.271 2.852 ( 3.088 -0.674 5.724) 6.539 2.911 ( -0.814 -7.107 1.576) 7.325 2.970 ( -0.779 -8.863 -1.923) 9.103 3.045 ( 2.871 -4.539 -7.798) 9.469 3.220 ( -3.547 -1.122 4.880) 6.136 3.276 ( 1.644 0.699 -2.314) 2.923 3.401 ( -0.916 -0.969 0.902) 1.610 3.447 ( -2.568 -1.458 -4.083) 5.039 3.464 ( -1.068 -2.281 5.403) 5.961 3.572 ( 6.177 0.601 -1.582) 6.404 3.676 ( -5.257 -2.643 1.127) 5.991 3.760 ( 3.584 -0.391 -4.221) 5.551 4.000 ( -0.437 0.775 1.922) 2.118 4.020 ( 2.789 -1.444 0.056) 3.141 4.192 ( -9.448 3.403 9.974) 14.153 4.396 ( 7.072 5.760 -10.539) 13.938 4.605 ( -2.445 12.137 4.094) 13.041 4.690 ( 1.289 14.033 -4.585) 14.819 5.015 ( 3.100 1.867 2.571) 4.439 5.082 ( -2.369 1.438 -4.054) 4.911 5.291 ( -3.838 2.374 9.195) 10.242 5.396 ( 4.719 3.170 1.197) 5.809 5.429 ( -2.069 3.281 -1.214) 4.064 5.532 ( -0.005 2.649 -6.516) 7.034 5.649 ( -0.500 -6.647 6.408) 9.246 5.769 ( 0.478 -5.207 -5.501) 7.590 5.786 ( -0.567 -3.087 3.606) 4.781 5.870 ( 2.883 -6.594 -6.364) 9.607 6.145 ( -1.117 -2.821 4.964) 5.818 6.181 ( -0.837 -7.942 2.090) 8.255 6.485 ( 4.831 -2.227 3.278) 6.248 6.575 ( -4.611 0.697 -5.386) 7.124 6.696 ( 2.506 -5.861 -1.604) 6.573 6.720 ( -2.260 -2.480 -3.770) 5.047 6.913 ( -2.283 -2.972 4.138) 5.583 6.962 ( 1.635 -4.886 -1.246) 5.301 7.074 ( 2.835 3.184 4.969) 6.547 7.131 ( -0.814 -0.234 -2.044) 2.212 7.212 ( 0.228 0.932 2.850) 3.007 7.291 ( -1.778 -2.446 -4.288) 5.247 7.535 ( 1.045 0.619 1.570) 1.986 7.573 ( -1.376 1.338 -2.303) 2.998 7.791 ( 2.010 2.211 2.520) 3.909 7.827 ( -2.499 2.317 -0.877) 3.519 7.890 ( 0.784 1.481 -0.483) 1.744 7.894 ( 0.003 1.431 -1.014) 1.754 8.962 ( 1.167 -0.844 2.792) 3.142 9.029 ( -1.400 1.180 -4.037) 4.433 9.326 ( 0.509 -3.387 2.599) 4.300 9.365 ( -0.284 -2.760 -1.483) 3.146 10.111 ( 0.313 -1.330 2.078) 2.487 10.173 ( -0.778 -2.630 -4.562) 5.323 10.505 ( 0.911 0.087 4.559) 4.650 10.553 ( -0.225 -0.862 -0.624) 1.088 12.000 ( -0.331 -0.015 0.207) 0.391 12.023 ( 0.066 0.453 -2.088) 2.138 13.811 ( 1.652 1.769 0.168) 2.426 13.834 ( -0.445 2.061 -1.883) 2.827 13.956 ( 2.696 0.187 7.576) 8.044 14.058 ( -0.267 0.923 0.155) 0.973 14.128 ( -6.161 1.920 1.685) 6.669 14.225 ( 2.362 4.242 -4.672) 6.738 14.526 ( -0.875 -1.395 2.598) 3.076 14.624 ( 1.246 -1.819 -6.686) 7.040 15.394 ( -0.212 -0.548 2.894) 2.953 15.439 ( -0.018 -0.101 -1.598) 1.602 15.902 ( -1.046 1.722 2.639) 3.320 15.927 ( 1.507 2.543 0.494) 2.997 16.246 ( 1.097 1.699 -1.694) 2.638 16.260 ( -1.738 2.170 -2.716) 3.887 16.572 ( -0.030 0.952 2.291) 2.481 16.600 ( 0.443 0.902 -0.574) 1.158 17.366 ( 0.503 -2.178 2.641) 3.460 17.416 ( -0.557 -2.517 -2.393) 3.517 20.338 ( 2.418 0.943 0.823) 2.723 20.355 ( -2.406 -0.299 -0.888) 2.582 21.578 ( -1.352 -4.204 0.104) 4.417 21.580 ( 1.345 -4.100 -0.100) 4.316 25.026 ( 0.203 2.827 0.660) 2.910 25.039 ( -0.226 2.494 -0.621) 2.580 27.710 ( 1.231 0.987 0.336) 1.613 27.717 ( -1.219 0.287 -0.364) 1.304 28.698 ( -0.342 -0.227 0.491) 0.640 28.708 ( 0.352 -0.122 -0.505) 0.628 29.287 ( -0.612 -0.388 0.085) 0.730 29.289 ( 0.606 -0.289 -0.096) 0.678 31.937 ( 0.108 -3.593 0.187) 3.599 31.940 ( -0.102 -3.621 -0.173) 3.626 33.071 ( -0.270 5.329 1.735) 5.611 33.109 ( 0.290 5.104 -2.097) 5.526 33.408 ( -0.321 6.195 1.630) 6.414 33.438 ( 0.308 6.709 -1.512) 6.884 33.692 ( 0.465 -9.641 3.080) 10.131 33.754 ( -0.530 -10.619 -3.276) 11.125 34.271 ( -0.142 -7.830 2.908) 8.354 34.324 ( 0.209 -8.287 -2.482) 8.653 35.942 ( -1.216 9.057 0.956) 9.189 35.961 ( 1.204 9.373 -0.940) 9.496 ======================= Grid point 180 (79/102) ======================= q-point: (-0.27 -0.64 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -5.250 -5.304 14.940) 16.701 1.423 ( 5.212 -6.357 -17.845) 19.647 1.826 ( -6.704 5.773 3.223) 9.416 1.929 ( -6.491 1.941 0.095) 6.775 2.039 ( -1.014 14.038 1.539) 14.158 2.181 ( 3.928 9.791 -2.312) 10.801 2.412 ( -10.021 0.944 3.122) 10.539 2.567 ( -1.471 3.646 4.585) 6.040 2.671 ( 2.468 4.273 -5.771) 7.593 2.673 ( 0.033 0.799 -0.940) 1.235 2.875 ( 2.292 -1.068 1.267) 2.828 2.957 ( -0.623 -0.397 -5.283) 5.334 3.066 ( -2.602 -1.124 -0.790) 2.943 3.158 ( 3.672 -2.440 -0.414) 4.428 3.262 ( -4.591 0.615 -0.046) 4.632 3.304 ( 3.273 -1.535 3.428) 4.982 3.374 ( 0.347 1.801 5.303) 5.611 3.457 ( 1.391 -0.514 -2.828) 3.193 3.489 ( 3.541 -4.535 7.942) 9.807 3.585 ( -5.837 0.735 -7.903) 9.852 3.698 ( -1.368 -4.178 -0.528) 4.428 3.796 ( 6.706 2.293 -1.435) 7.231 4.065 ( 2.442 -2.146 5.603) 6.478 4.091 ( -4.737 -9.690 0.821) 10.817 4.109 ( -6.436 -0.646 1.689) 6.685 4.346 ( -1.030 13.503 1.500) 13.625 4.410 ( 6.723 3.665 -7.680) 10.845 4.442 ( 6.590 12.464 -0.027) 14.099 4.983 ( -2.009 4.938 -1.242) 5.474 5.016 ( 1.411 2.838 -2.062) 3.781 5.217 ( -6.746 1.195 3.330) 7.617 5.343 ( -3.994 1.730 8.499) 9.549 5.412 ( 3.532 0.798 -6.956) 7.842 5.507 ( 0.468 -0.362 -3.946) 3.990 5.772 ( 0.593 -5.355 5.578) 7.755 5.801 ( -2.394 -4.867 2.272) 5.880 5.937 ( 1.052 -7.456 -2.219) 7.850 6.027 ( 6.915 -8.844 -7.216) 13.345 6.135 ( -3.421 1.563 5.783) 6.899 6.230 ( 2.067 2.924 0.671) 3.643 6.484 ( -6.101 0.517 -0.599) 6.152 6.592 ( 3.648 -2.777 -1.446) 4.807 6.758 ( -2.489 -4.492 -1.394) 5.321 6.794 ( 2.126 -1.830 -2.995) 4.103 6.930 ( 1.229 0.649 6.796) 6.937 7.014 ( 1.134 1.327 -3.941) 4.310 7.051 ( 0.212 1.257 2.715) 2.999 7.098 ( 2.554 -0.640 -0.362) 2.657 7.289 ( 1.703 -2.887 3.989) 5.210 7.327 ( -2.233 -5.183 -3.673) 6.733 7.514 ( -2.229 2.083 -1.148) 3.260 7.548 ( 1.248 0.735 0.031) 1.449 7.771 ( -2.778 0.443 -0.125) 2.816 7.775 ( 0.099 1.334 2.310) 2.669 7.867 ( -0.949 0.548 -1.700) 2.023 7.893 ( 3.271 1.384 -0.547) 3.593 8.960 ( -1.553 0.551 1.360) 2.137 9.013 ( 1.008 0.471 -2.117) 2.391 9.379 ( 0.006 -2.723 2.896) 3.975 9.432 ( 1.241 -4.080 -1.919) 4.677 10.147 ( 0.836 -1.799 3.273) 3.827 10.198 ( -0.903 -1.869 -5.113) 5.518 10.522 ( 0.742 -0.393 4.090) 4.175 10.565 ( 0.230 -0.757 -1.798) 1.964 11.999 ( -0.146 -0.116 0.276) 0.333 12.014 ( -0.025 0.390 -1.224) 1.285 13.789 ( -0.354 1.387 -1.344) 1.964 13.796 ( 0.147 1.717 -1.397) 2.218 13.990 ( 1.838 -0.256 7.765) 7.983 14.041 ( 0.214 0.894 1.232) 1.537 14.056 ( -4.241 0.784 -1.191) 4.474 14.173 ( 2.113 3.699 -1.783) 4.618 14.539 ( -0.745 -0.714 2.414) 2.625 14.659 ( 1.742 -1.334 -7.227) 7.552 15.410 ( -0.674 -1.221 3.258) 3.544 15.452 ( -0.390 -1.764 -1.337) 2.248 15.859 ( -1.689 2.019 0.703) 2.725 15.895 ( 1.334 2.864 1.005) 3.315 16.204 ( -1.315 1.836 -1.316) 2.614 16.218 ( 0.240 2.540 -1.026) 2.750 16.559 ( -1.465 -0.222 -0.311) 1.514 16.593 ( 2.441 1.575 0.800) 3.014 17.412 ( 0.521 -2.146 2.955) 3.689 17.453 ( 0.048 -2.470 -2.662) 3.632 20.328 ( -1.928 -0.605 -0.930) 2.224 20.364 ( 2.653 0.408 0.894) 2.829 21.632 ( -0.895 -3.202 -0.114) 3.327 21.653 ( 1.066 -2.943 0.096) 3.132 24.996 ( -0.332 0.664 -0.551) 0.924 25.009 ( 1.766 1.711 0.600) 2.531 27.714 ( 0.022 -0.821 -0.708) 1.085 27.720 ( 1.678 -0.390 0.671) 1.849 28.700 ( -0.298 -0.303 0.225) 0.481 28.713 ( 0.413 -0.103 -0.239) 0.488 29.288 ( -0.418 -0.284 -0.122) 0.520 29.298 ( 0.506 -0.158 0.121) 0.543 31.992 ( -0.308 -2.795 0.237) 2.822 31.995 ( -0.380 -3.041 -0.252) 3.075 32.951 ( -3.822 5.850 0.971) 7.055 33.028 ( 2.121 5.623 -1.210) 6.130 33.261 ( -4.034 7.960 0.482) 8.937 33.315 ( 0.682 7.582 -0.365) 7.621 33.849 ( -0.417 -7.496 3.133) 8.135 33.914 ( 0.315 -8.210 -3.473) 8.920 34.416 ( 0.018 -7.955 3.002) 8.503 34.476 ( 1.098 -9.177 -2.536) 9.584 35.776 ( -1.363 8.819 0.477) 8.937 35.803 ( 0.297 9.465 -0.453) 9.480 ======================= Grid point 181 (80/102) ======================= q-point: (-0.18 0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -14.234 -1.726 9.678) 17.299 1.454 ( -0.198 6.115 -9.667) 11.441 1.758 ( -12.892 -8.689 -0.873) 15.571 1.806 ( -1.998 8.107 -2.967) 8.861 1.855 ( -6.507 0.746 6.850) 9.478 2.090 ( -3.579 1.716 -2.680) 4.789 2.294 ( -11.074 1.393 -3.084) 11.580 2.495 ( 0.646 4.128 4.786) 6.354 2.615 ( -0.272 3.406 3.045) 4.577 2.764 ( 9.172 -4.195 -3.521) 10.683 2.847 ( -0.896 3.347 -0.049) 3.466 2.926 ( 2.242 4.690 -1.663) 5.458 3.050 ( 0.952 1.627 -3.936) 4.364 3.168 ( -6.521 0.465 -1.088) 6.627 3.190 ( 1.972 1.076 5.087) 5.561 3.284 ( 3.757 4.214 -0.869) 5.713 3.387 ( -1.014 -1.320 6.624) 6.830 3.463 ( 2.051 0.941 -5.079) 5.558 3.506 ( -0.750 -0.590 -4.796) 4.890 3.653 ( 0.209 -0.485 2.490) 2.545 3.796 ( 8.505 -5.662 6.719) 12.228 3.832 ( 5.043 -0.958 1.222) 5.277 3.983 ( -0.160 9.840 1.370) 9.936 4.051 ( -3.706 8.234 -2.033) 9.255 4.084 ( 2.692 3.713 -1.009) 4.696 4.233 ( 1.356 1.789 -0.871) 2.408 4.368 ( 1.029 -6.547 -0.892) 6.687 4.564 ( 6.190 -5.715 -0.607) 8.447 4.839 ( -2.928 8.318 -1.318) 8.916 4.976 ( 4.175 5.735 -1.549) 7.261 5.129 ( -10.738 -1.164 -2.403) 11.065 5.282 ( -2.564 3.730 5.128) 6.840 5.450 ( 2.445 -2.048 -1.642) 3.587 5.544 ( 0.580 -3.460 -0.741) 3.586 5.797 ( -3.472 1.515 -2.408) 4.488 5.895 ( 1.198 -4.385 6.840) 8.213 6.052 ( -1.407 -7.704 -4.772) 9.171 6.099 ( -0.975 -2.389 2.983) 3.944 6.174 ( 3.377 2.344 3.711) 5.538 6.270 ( 6.464 -6.824 -2.655) 9.767 6.423 ( -4.395 0.670 2.955) 5.339 6.606 ( 1.483 3.514 -6.766) 7.767 6.789 ( 4.755 5.098 3.631) 7.860 6.809 ( -3.558 -6.274 -4.198) 8.346 6.941 ( 3.099 0.039 4.569) 5.521 7.024 ( 2.809 0.143 -1.434) 3.157 7.061 ( -0.749 -2.011 -0.076) 2.147 7.146 ( 2.927 -0.549 -1.984) 3.578 7.309 ( -5.179 -1.324 1.004) 5.439 7.347 ( -1.106 1.729 2.038) 2.892 7.482 ( 0.235 -0.192 -2.534) 2.552 7.542 ( 0.983 1.102 -0.292) 1.505 7.752 ( -2.603 0.157 0.994) 2.791 7.780 ( -0.431 -2.859 4.048) 4.975 7.842 ( -2.665 0.361 -2.360) 3.578 7.905 ( 2.716 0.114 -1.459) 3.086 8.938 ( -1.274 0.485 1.435) 1.979 9.013 ( 0.884 0.186 -2.458) 2.619 9.427 ( -0.500 -2.636 3.931) 4.759 9.509 ( 1.188 -3.717 -2.231) 4.495 10.186 ( -0.291 -1.359 0.520) 1.484 10.212 ( 0.195 -1.302 -1.218) 1.793 10.530 ( -1.140 -0.224 -0.371) 1.220 10.584 ( 1.550 -0.746 0.546) 1.804 12.001 ( -0.205 -0.313 -0.321) 0.493 12.008 ( 0.319 0.306 0.214) 0.491 13.764 ( -0.562 0.673 -2.043) 2.223 13.773 ( 0.096 1.044 -0.803) 1.321 13.993 ( -2.785 -0.527 -2.320) 3.663 14.014 ( -2.034 0.728 0.544) 2.228 14.056 ( 2.381 -0.250 4.820) 5.382 14.149 ( 2.711 1.342 3.444) 4.584 14.542 ( -0.443 -0.090 1.991) 2.041 14.682 ( 1.653 -0.505 -7.540) 7.735 15.426 ( -1.430 -1.101 3.649) 4.071 15.480 ( -0.599 -1.946 -1.264) 2.397 15.809 ( -1.469 1.782 -1.442) 2.722 15.861 ( 1.488 2.706 1.688) 3.520 16.165 ( -0.207 2.266 -0.091) 2.277 16.176 ( 0.215 1.731 -0.240) 1.761 16.553 ( -1.896 -1.283 -3.682) 4.335 16.594 ( 2.337 1.160 3.073) 4.031 17.448 ( -0.318 -1.452 2.175) 2.635 17.495 ( 0.536 -2.381 -1.827) 3.049 20.329 ( -1.901 -1.881 -2.507) 3.665 20.384 ( 2.426 0.239 2.452) 3.457 21.667 ( -0.608 -1.785 0.082) 1.888 21.697 ( 0.631 -1.307 -0.111) 1.456 24.997 ( -1.829 -2.486 -4.162) 5.181 25.020 ( 2.500 -0.366 4.276) 4.967 27.740 ( -0.424 -2.554 -1.573) 3.029 27.757 ( 1.481 -1.948 1.495) 2.868 28.704 ( -0.345 -0.489 -0.051) 0.600 28.719 ( 0.226 -0.292 0.043) 0.371 29.288 ( -0.323 -0.202 -0.238) 0.449 29.304 ( 0.336 -0.114 0.232) 0.424 32.022 ( -0.677 -1.147 0.269) 1.359 32.030 ( -0.567 -1.488 -0.318) 1.623 32.823 ( -3.506 4.912 0.585) 6.063 32.960 ( 2.428 4.574 -0.695) 5.224 33.091 ( -3.914 6.983 0.089) 8.006 33.203 ( 1.272 6.417 -0.024) 6.542 33.929 ( -1.161 -2.376 1.141) 2.880 34.018 ( 1.889 -2.750 -1.325) 3.590 34.530 ( -1.776 -5.928 1.993) 6.502 34.628 ( 1.230 -6.632 -1.759) 6.970 35.631 ( 0.043 7.096 0.123) 7.098 35.660 ( 1.046 7.486 -0.076) 7.559 ======================= Grid point 182 (81/102) ======================= q-point: (-0.09 0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -20.385 3.445 3.223) 20.924 1.313 ( -3.722 6.357 -1.141) 7.454 1.610 ( -7.723 4.489 -6.868) 11.268 1.749 ( -9.273 -2.611 10.274) 14.084 1.905 ( -8.452 -8.456 2.237) 12.163 2.066 ( -1.444 -2.172 -1.801) 3.169 2.166 ( -6.016 3.470 -10.159) 12.306 2.481 ( 3.144 0.416 1.730) 3.613 2.584 ( 2.006 0.769 2.465) 3.270 2.717 ( 3.358 5.610 6.573) 9.271 2.803 ( -1.557 6.398 0.252) 6.590 2.927 ( 1.034 3.915 -5.156) 6.556 3.054 ( 6.220 -3.209 -2.633) 7.478 3.151 ( -0.549 0.815 -1.293) 1.624 3.176 ( 1.014 0.850 1.226) 1.804 3.314 ( 6.343 0.496 2.218) 6.738 3.433 ( -2.050 -2.944 -2.797) 4.549 3.475 ( 2.691 -3.077 -3.314) 5.262 3.518 ( 1.890 0.476 2.043) 2.823 3.611 ( -1.307 2.563 1.508) 3.248 3.787 ( 3.025 9.208 0.063) 9.693 3.793 ( 1.445 6.225 0.952) 6.461 3.959 ( 2.808 0.730 3.562) 4.594 4.055 ( 6.838 -4.996 4.128) 9.421 4.076 ( 6.958 1.384 0.138) 7.095 4.241 ( 0.843 -0.959 -4.812) 4.979 4.453 ( -0.653 -0.671 -2.141) 2.337 4.656 ( -0.551 -0.470 1.666) 1.817 4.698 ( -0.297 2.192 2.015) 2.992 4.874 ( 6.429 11.686 -6.464) 14.821 5.071 ( -11.282 -4.541 -5.415) 13.313 5.197 ( 0.566 4.691 4.166) 6.300 5.485 ( 1.048 -0.758 2.662) 2.959 5.556 ( -5.645 1.828 5.071) 7.805 5.794 ( 2.716 -3.695 -4.543) 6.455 5.909 ( 1.235 2.951 3.363) 4.641 6.133 ( -3.873 2.104 2.681) 5.159 6.149 ( -4.429 -3.830 -7.070) 9.179 6.217 ( 1.917 -4.051 4.800) 6.567 6.295 ( -0.332 -4.176 4.627) 6.241 6.508 ( -0.318 -2.645 -5.853) 6.431 6.565 ( 7.320 -0.849 -4.715) 8.748 6.781 ( 3.455 0.968 4.140) 5.479 6.898 ( 3.281 -4.120 0.537) 5.294 6.958 ( 0.571 2.268 1.051) 2.564 6.990 ( -2.859 2.086 -2.104) 4.118 7.099 ( -0.341 -1.938 1.449) 2.444 7.156 ( 2.405 0.126 -4.032) 4.696 7.277 ( -3.913 2.355 -0.679) 4.617 7.318 ( -1.856 -2.834 2.804) 4.398 7.478 ( 2.757 1.784 -0.356) 3.303 7.534 ( 2.889 1.946 -0.249) 3.492 7.719 ( -3.903 0.543 1.524) 4.225 7.795 ( -5.134 0.409 -2.214) 5.606 7.835 ( -2.073 -3.073 2.194) 4.308 7.946 ( 2.755 -2.357 -0.445) 3.653 8.922 ( -0.839 0.582 1.594) 1.893 9.019 ( 0.728 -0.246 -2.994) 3.091 9.465 ( -1.610 -2.346 4.479) 5.306 9.566 ( -0.097 -2.361 -2.225) 3.245 10.179 ( -2.080 -0.028 -3.368) 3.959 10.251 ( 1.772 -1.216 4.486) 4.974 10.509 ( -2.459 0.267 -4.110) 4.797 10.613 ( 1.460 -0.483 2.048) 2.561 12.002 ( -0.202 -0.183 -1.202) 1.232 12.011 ( 0.544 0.056 1.569) 1.661 13.748 ( -0.182 0.637 -1.343) 1.497 13.765 ( 0.068 -0.209 -1.075) 1.098 13.968 ( -2.922 -0.335 -4.845) 5.667 13.991 ( -1.200 0.130 -0.584) 1.341 14.086 ( 0.743 -1.418 1.023) 1.901 14.193 ( 3.103 -1.845 11.264) 11.828 14.541 ( 0.112 0.204 0.953) 0.980 14.691 ( 1.266 -0.106 -7.203) 7.314 15.423 ( -2.153 0.018 2.805) 3.536 15.490 ( -1.226 -0.064 -0.840) 1.487 15.777 ( -0.196 0.638 -2.954) 3.028 15.837 ( 1.745 2.140 2.402) 3.660 16.128 ( 0.880 1.961 0.511) 2.209 16.167 ( 1.514 0.617 0.659) 1.763 16.560 ( -2.079 -2.337 -6.163) 6.911 16.608 ( 1.595 -0.236 4.758) 5.024 17.459 ( -1.396 -0.574 1.433) 2.081 17.535 ( 0.131 -1.888 -0.985) 2.134 20.347 ( -2.284 -2.801 -5.230) 6.358 20.409 ( 1.712 -0.399 5.141) 5.434 21.678 ( -0.761 -0.114 -0.406) 0.869 21.709 ( 0.103 0.308 0.342) 0.472 25.041 ( -3.296 -6.329 -6.936) 9.951 25.079 ( 1.030 -3.860 7.193) 8.228 27.786 ( -1.721 -4.115 -2.337) 5.035 27.815 ( 0.010 -3.708 2.176) 4.299 28.710 ( -0.564 -0.806 -0.320) 1.034 28.728 ( -0.130 -0.730 0.315) 0.805 29.288 ( -0.304 -0.125 -0.320) 0.459 29.309 ( 0.173 -0.189 0.301) 0.395 32.017 ( -0.867 0.908 0.232) 1.277 32.030 ( -0.806 0.772 -0.297) 1.155 32.732 ( -1.155 2.946 0.397) 3.189 32.925 ( 3.617 2.638 -0.410) 4.496 32.970 ( -0.993 4.025 -0.000) 4.146 33.131 ( 3.150 4.310 -0.006) 5.338 33.910 ( -1.038 3.491 -0.433) 3.668 34.029 ( 2.322 3.887 0.643) 4.573 34.578 ( -3.685 -2.145 1.487) 4.516 34.692 ( -1.157 -0.637 -1.734) 2.180 35.549 ( 3.339 4.036 -0.568) 5.269 35.590 ( 3.638 2.920 0.684) 4.715 ======================= Grid point 189 (82/102) ======================= q-point: ( 0.45 0.45 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 2.633 0.000 3.158) 4.111 1.269 ( -3.982 -0.000 -11.530) 12.199 1.843 ( -1.116 -0.000 4.078) 4.228 1.904 ( -1.220 -0.000 0.600) 1.360 1.943 ( 7.017 0.000 11.203) 13.219 2.098 ( 2.651 0.000 -3.701) 4.552 2.376 ( 10.029 0.000 1.831) 10.195 2.426 ( 5.113 0.000 5.154) 7.260 2.622 ( 5.247 0.000 -8.119) 9.667 2.709 ( -4.108 -0.000 -4.533) 6.117 2.779 ( -2.592 -0.000 -1.932) 3.233 2.803 ( -13.324 -0.000 4.712) 14.132 3.033 ( -0.869 -0.000 5.012) 5.087 3.189 ( -8.079 -0.000 -6.992) 10.684 3.308 ( 5.164 0.000 2.491) 5.733 3.420 ( 1.671 0.000 -0.386) 1.715 3.499 ( 5.526 0.000 -0.777) 5.580 3.516 ( 1.923 0.000 -5.997) 6.298 3.728 ( 1.779 0.000 5.653) 5.927 3.775 ( -4.039 -0.000 0.743) 4.107 3.818 ( 5.961 0.000 1.164) 6.074 3.874 ( -1.119 -0.000 -7.235) 7.321 3.973 ( 3.024 0.000 -2.102) 3.683 3.991 ( 3.050 0.000 1.687) 3.485 4.584 ( 8.819 0.000 -7.676) 11.691 4.589 ( -10.918 -0.000 8.203) 13.656 4.758 ( -0.146 -0.000 5.225) 5.227 4.806 ( -2.109 -0.000 -1.365) 2.512 4.999 ( 5.399 0.000 3.841) 6.626 5.131 ( 2.447 0.000 -2.742) 3.675 5.265 ( 2.653 0.000 1.841) 3.229 5.267 ( -2.950 -0.000 5.758) 6.470 5.552 ( 2.255 0.000 -0.202) 2.264 5.574 ( 0.139 0.000 -0.795) 0.807 5.630 ( 0.971 0.000 -0.387) 1.045 5.655 ( 3.703 0.000 1.514) 4.000 5.715 ( -4.318 -0.000 -1.057) 4.445 5.761 ( 2.755 0.000 2.001) 3.405 5.904 ( -4.076 -0.000 -7.895) 8.885 6.171 ( -6.115 -0.000 -14.589) 15.818 6.263 ( 3.669 0.000 13.128) 13.631 6.451 ( 3.808 0.000 2.923) 4.801 6.560 ( -1.826 -0.000 -1.969) 2.685 6.645 ( -3.153 -0.000 -2.351) 3.933 6.755 ( 0.884 0.000 2.911) 3.043 6.835 ( -1.915 -0.000 0.507) 1.981 6.998 ( -4.146 -0.000 3.698) 5.556 7.029 ( 3.699 0.000 -7.330) 8.211 7.381 ( 2.304 0.000 0.148) 2.309 7.404 ( -0.049 -0.000 1.130) 1.131 7.557 ( -1.498 -0.000 2.653) 3.047 7.628 ( -2.725 -0.000 -1.177) 2.969 7.873 ( -0.089 -0.000 2.194) 2.195 7.923 ( 2.021 0.000 -0.726) 2.147 7.927 ( -0.114 -0.000 0.686) 0.695 7.983 ( -4.236 -0.000 -2.061) 4.711 8.866 ( 2.941 0.000 3.819) 4.820 9.082 ( -4.657 -0.000 -6.399) 7.914 9.211 ( 1.294 0.000 3.094) 3.354 9.326 ( -2.202 -0.000 -3.036) 3.751 10.081 ( -0.473 -0.000 -1.251) 1.337 10.083 ( -0.392 -0.000 -0.606) 0.722 10.518 ( -0.596 -0.000 3.163) 3.218 10.520 ( 0.426 0.000 2.650) 2.684 12.002 ( -0.317 -0.000 0.236) 0.395 12.038 ( 0.313 0.000 -3.313) 3.328 13.842 ( 3.477 0.000 1.895) 3.960 13.908 ( 1.048 0.000 -2.430) 2.646 13.935 ( 1.173 0.000 4.915) 5.053 14.082 ( -0.132 -0.000 -0.689) 0.701 14.287 ( -8.804 -0.000 6.609) 11.008 14.340 ( 3.422 0.000 -9.681) 10.268 14.468 ( -0.481 -0.000 3.983) 4.012 14.567 ( 0.290 0.000 -4.916) 4.925 15.411 ( -0.300 -0.000 4.008) 4.019 15.486 ( 0.429 0.000 -3.243) 3.271 15.958 ( 0.419 0.000 3.557) 3.582 15.980 ( 2.297 0.000 0.925) 2.476 16.264 ( 3.163 0.000 -4.347) 5.376 16.357 ( -2.862 -0.000 -3.719) 4.693 16.606 ( 0.620 0.000 0.620) 0.877 16.629 ( -2.735 -0.000 3.725) 4.622 17.301 ( -0.266 -0.000 1.203) 1.232 17.337 ( -1.034 -0.000 -1.120) 1.524 20.331 ( 2.976 0.000 -2.176) 3.687 20.397 ( -4.695 -0.000 1.996) 5.101 21.411 ( 1.811 0.000 -1.161) 2.151 21.432 ( -1.749 -0.000 1.166) 2.101 25.140 ( -5.494 -0.000 4.667) 7.209 25.171 ( -0.401 -0.000 -4.592) 4.609 27.757 ( -0.680 -0.000 -1.215) 1.392 27.772 ( -3.893 -0.000 1.187) 4.069 28.696 ( -1.203 -0.000 0.953) 1.535 28.698 ( 0.420 0.000 -0.949) 1.038 29.269 ( 0.671 0.000 -0.600) 0.900 29.277 ( -1.060 -0.000 0.550) 1.194 31.811 ( 0.657 0.000 0.301) 0.723 31.814 ( 0.959 0.000 -0.258) 0.993 33.207 ( 0.750 0.000 0.592) 0.955 33.212 ( 1.348 0.000 -0.851) 1.594 33.273 ( -0.131 -0.000 1.257) 1.264 33.282 ( 0.880 0.000 -1.037) 1.360 33.654 ( 1.737 0.000 2.514) 3.055 33.676 ( 5.297 0.000 -2.800) 5.991 34.085 ( -2.619 -0.000 3.410) 4.300 34.091 ( 3.492 0.000 -3.078) 4.655 36.232 ( 3.201 0.000 -2.288) 3.935 36.237 ( -0.931 -0.000 2.252) 2.437 ======================= Grid point 190 (83/102) ======================= q-point: (-0.45 -0.55 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.119 4.791 9.740) 12.001 1.247 ( -3.917 -2.200 -18.963) 19.488 1.949 ( 1.886 -1.719 7.657) 8.071 1.978 ( 1.047 -12.844 4.349) 13.601 2.101 ( -0.459 -15.005 0.686) 15.028 2.136 ( 1.219 -3.692 -2.949) 4.880 2.471 ( 0.902 -3.598 9.616) 10.306 2.550 ( 5.106 -6.052 4.778) 9.248 2.648 ( -8.133 -2.068 -5.596) 10.086 2.682 ( 0.178 -0.794 -4.865) 4.933 2.728 ( -0.254 -2.211 -0.611) 2.308 2.766 ( 0.934 0.540 -1.779) 2.081 3.020 ( -2.074 2.018 3.992) 4.930 3.117 ( -2.346 -0.239 -7.276) 7.648 3.322 ( 4.890 5.937 3.907) 8.627 3.391 ( -3.633 4.813 -1.603) 6.239 3.468 ( -1.448 2.744 -1.202) 3.328 3.489 ( -2.778 3.484 -2.587) 5.152 3.598 ( 4.071 12.611 5.164) 14.223 3.676 ( 3.050 7.558 -3.597) 8.909 3.761 ( -3.553 4.401 0.857) 5.721 3.834 ( 0.438 4.525 -4.912) 6.693 4.031 ( 2.663 -2.407 0.252) 3.599 4.060 ( 0.671 -1.304 -2.173) 2.621 4.423 ( -7.656 7.476 10.154) 14.751 4.591 ( 5.372 5.424 -7.772) 10.895 4.775 ( 1.505 -1.061 4.748) 5.092 4.864 ( -3.499 -4.687 -4.231) 7.219 5.032 ( 3.575 0.054 5.485) 6.548 5.102 ( -1.080 2.963 -0.736) 3.238 5.270 ( -0.611 -2.939 6.987) 7.605 5.383 ( 1.470 -6.107 -2.970) 6.948 5.549 ( 0.331 2.072 1.080) 2.360 5.580 ( -0.072 1.233 -2.866) 3.121 5.623 ( 2.428 0.407 1.374) 2.819 5.682 ( 0.140 -1.426 -1.237) 1.893 5.716 ( 0.228 -2.586 0.704) 2.690 5.807 ( -5.281 3.530 -7.246) 9.636 5.857 ( 4.206 -5.231 8.624) 10.928 6.054 ( -4.220 2.137 -8.890) 10.070 6.374 ( 3.052 -5.004 7.257) 9.329 6.511 ( -0.226 -3.009 -4.249) 5.212 6.549 ( 1.873 -1.163 3.023) 3.742 6.642 ( -4.092 -2.851 -5.052) 7.099 6.796 ( 2.988 -1.933 4.234) 5.530 6.834 ( -1.534 -1.869 -0.482) 2.466 6.993 ( -4.045 -3.804 1.774) 5.829 7.067 ( 3.128 -1.107 -4.744) 5.789 7.366 ( -1.792 3.750 0.946) 4.263 7.374 ( 2.152 2.910 0.372) 3.638 7.547 ( 0.210 0.597 3.188) 3.251 7.605 ( -0.843 0.496 -2.575) 2.754 7.872 ( 2.524 1.699 2.831) 4.156 7.908 ( -1.555 1.675 0.116) 2.288 7.932 ( 0.642 0.687 -0.678) 1.160 7.941 ( -1.093 0.935 -2.171) 2.604 8.915 ( 3.315 -1.251 5.254) 6.337 9.039 ( -4.213 -0.590 -7.529) 8.648 9.238 ( 2.464 -1.018 4.079) 4.873 9.311 ( -1.564 -0.822 -3.500) 3.921 10.081 ( -0.179 -0.417 -0.181) 0.488 10.093 ( -0.294 -1.563 -1.583) 2.244 10.515 ( 0.443 0.368 3.301) 3.351 10.532 ( 0.263 -0.401 1.631) 1.700 11.999 ( -0.367 -0.014 0.415) 0.554 12.035 ( 0.137 0.163 -3.128) 3.135 13.859 ( 1.061 0.762 1.472) 1.968 13.898 ( -0.143 1.272 -2.294) 2.627 13.961 ( 2.721 0.057 6.758) 7.286 14.073 ( -1.132 0.168 -3.004) 3.215 14.203 ( -7.122 1.586 5.713) 9.267 14.350 ( 4.617 2.238 -7.474) 9.065 14.477 ( -0.325 -0.931 3.654) 3.784 14.572 ( 0.405 -0.931 -5.333) 5.429 15.405 ( -0.332 0.720 3.855) 3.936 15.474 ( 0.233 1.245 -3.060) 3.311 15.952 ( -0.666 1.018 3.612) 3.811 15.987 ( 0.905 0.949 0.454) 1.388 16.285 ( 2.858 0.600 -1.944) 3.508 16.312 ( -3.787 0.806 -4.385) 5.850 16.603 ( -1.503 0.750 2.539) 3.044 16.622 ( 2.405 0.177 0.460) 2.455 17.310 ( 0.405 -0.893 1.672) 1.938 17.342 ( -0.490 -1.450 -1.520) 2.157 20.354 ( -4.295 0.100 0.295) 4.306 20.362 ( 4.242 0.337 -0.429) 4.277 21.441 ( -1.745 -2.802 0.516) 3.341 21.451 ( 1.730 -2.636 -0.465) 3.187 25.094 ( -2.673 1.356 3.093) 4.307 25.156 ( 2.729 2.496 -3.077) 4.811 27.741 ( -1.628 0.648 0.535) 1.832 27.752 ( 1.577 0.940 -0.525) 1.909 28.690 ( -0.707 -0.188 0.689) 1.005 28.704 ( 0.730 -0.090 -0.707) 1.020 29.272 ( -0.821 -0.364 0.282) 0.941 29.278 ( 0.796 -0.267 -0.304) 0.893 31.831 ( -0.090 -1.963 0.253) 1.981 31.836 ( 0.097 -1.912 -0.216) 1.926 33.193 ( -0.109 1.680 0.942) 1.929 33.217 ( 0.174 1.075 -1.602) 1.937 33.316 ( -0.328 -5.790 2.015) 6.140 33.349 ( 0.296 -6.561 -1.450) 6.726 33.635 ( -1.347 2.598 2.137) 3.624 33.682 ( 1.690 2.794 -2.645) 4.202 34.083 ( -2.523 -2.683 2.995) 4.747 34.136 ( 2.164 -2.491 -2.411) 4.087 36.187 ( -2.033 4.332 1.421) 4.992 36.216 ( 2.018 4.520 -1.426) 5.151 ======================= Grid point 191 (84/102) ======================= q-point: (-0.36 -0.55 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 5.048 2.170 16.217) 17.122 1.238 ( -0.447 -3.082 -22.791) 23.003 1.961 ( -1.757 1.354 6.445) 6.816 2.060 ( -1.513 2.244 -3.984) 4.816 2.325 ( -0.813 -10.376 6.413) 12.225 2.414 ( -0.361 -13.835 -3.452) 14.264 2.467 ( -10.519 -7.466 5.693) 14.100 2.571 ( -6.944 -0.662 -1.944) 7.242 2.670 ( -3.998 7.096 -0.189) 8.147 2.707 ( 3.330 -3.227 1.200) 4.790 2.776 ( 0.763 -2.692 0.611) 2.864 2.856 ( 5.426 -7.685 3.748) 10.127 2.919 ( 2.026 2.970 -5.521) 6.589 3.100 ( 7.049 5.033 -6.062) 10.572 3.213 ( -6.207 6.793 5.651) 10.799 3.291 ( -2.497 -2.910 0.559) 3.875 3.392 ( -2.197 1.981 1.039) 3.135 3.423 ( 1.731 4.143 -2.852) 5.319 3.484 ( 5.110 6.550 0.168) 8.309 3.604 ( -1.464 1.699 -4.359) 4.902 3.680 ( 1.428 3.889 3.471) 5.405 3.766 ( -1.471 0.426 -2.818) 3.207 3.996 ( -6.632 1.834 -1.476) 7.038 4.077 ( 2.432 1.944 -2.000) 3.701 4.243 ( -3.765 8.334 11.212) 14.469 4.544 ( 6.890 4.792 -8.552) 11.983 4.742 ( -3.263 5.748 5.968) 8.906 4.835 ( -2.857 3.461 -5.054) 6.759 5.053 ( 0.420 0.564 3.528) 3.598 5.070 ( -1.976 0.662 -2.809) 3.498 5.275 ( -6.432 -0.320 8.401) 10.585 5.456 ( 0.627 1.373 1.374) 2.041 5.510 ( 0.449 2.831 0.269) 2.879 5.545 ( 0.381 2.324 -6.724) 7.125 5.624 ( 3.348 1.028 3.112) 4.685 5.702 ( -0.368 -0.630 -4.664) 4.720 5.744 ( -0.150 -1.803 0.112) 1.812 5.797 ( 4.224 -6.348 -3.143) 8.248 6.010 ( -3.318 -6.691 3.004) 8.050 6.068 ( 1.900 -8.102 1.420) 8.442 6.464 ( -2.593 -3.537 1.112) 4.524 6.547 ( 3.890 -1.822 -0.107) 4.297 6.624 ( -5.404 -2.577 -6.226) 8.638 6.652 ( 4.565 -3.769 2.127) 6.290 6.836 ( -2.620 -2.806 1.783) 4.233 6.910 ( 4.253 -4.380 0.609) 6.135 7.051 ( -2.233 -5.964 -0.122) 6.369 7.113 ( 3.009 -1.306 -0.737) 3.362 7.255 ( -3.078 4.878 1.511) 5.962 7.333 ( 1.832 4.642 -0.912) 5.073 7.557 ( 2.785 0.426 2.667) 3.879 7.585 ( -0.189 1.182 -2.428) 2.707 7.839 ( -2.656 2.972 -0.913) 4.089 7.860 ( 0.925 2.864 2.274) 3.772 7.911 ( -0.198 1.654 -0.507) 1.741 7.939 ( 3.555 0.827 -1.176) 3.835 8.959 ( -0.223 -0.512 3.151) 3.200 9.014 ( -0.532 -0.805 -4.360) 4.465 9.298 ( 2.680 -2.081 3.264) 4.708 9.320 ( -0.142 -2.046 -2.854) 3.514 10.093 ( 0.076 -1.166 1.148) 1.638 10.123 ( 0.072 -2.223 -2.626) 3.441 10.521 ( 0.860 0.218 3.311) 3.428 10.543 ( 0.481 -0.424 0.144) 0.658 11.996 ( -0.400 -0.019 0.548) 0.679 12.028 ( 0.035 0.316 -2.489) 2.510 13.842 ( -1.002 1.402 -0.290) 1.747 13.862 ( -0.826 1.742 -1.968) 2.755 13.992 ( 2.201 0.291 7.157) 7.493 14.048 ( -2.226 0.153 -5.483) 5.920 14.125 ( -3.650 2.205 6.891) 8.104 14.331 ( 4.936 4.570 -3.548) 7.605 14.499 ( -0.164 -1.332 2.295) 2.658 14.597 ( 1.208 -1.941 -5.772) 6.208 15.394 ( -0.470 0.490 3.337) 3.406 15.447 ( -0.246 1.329 -2.360) 2.720 15.922 ( -1.658 1.622 2.957) 3.758 15.971 ( 0.133 1.515 0.163) 1.529 16.252 ( -4.141 0.967 -3.964) 5.814 16.289 ( 1.808 1.543 -0.608) 2.453 16.577 ( -1.163 1.072 1.426) 2.130 16.646 ( 4.155 1.038 0.359) 4.297 17.342 ( 1.004 -1.750 2.494) 3.208 17.370 ( 0.048 -2.217 -2.249) 3.158 20.316 ( -3.565 -0.088 -0.962) 3.693 20.395 ( 4.881 0.891 0.884) 5.040 21.489 ( -1.554 -4.449 -0.177) 4.716 21.525 ( 1.712 -3.985 0.177) 4.341 25.051 ( -0.793 2.122 1.313) 2.618 25.133 ( 5.076 4.194 -1.264) 6.705 27.722 ( 0.301 0.890 -0.210) 0.963 27.754 ( 3.326 1.554 0.193) 3.676 28.690 ( -0.300 -0.296 0.393) 0.577 28.712 ( 0.856 -0.017 -0.412) 0.950 29.274 ( -0.508 -0.523 -0.044) 0.731 29.290 ( 0.781 -0.296 0.028) 0.835 31.874 ( -0.641 -3.375 0.121) 3.437 31.878 ( -0.481 -3.242 -0.100) 3.279 33.130 ( -3.350 4.080 0.691) 5.324 33.187 ( 1.025 2.852 -1.103) 3.225 33.431 ( -1.243 -4.933 2.170) 5.531 33.466 ( -1.502 -4.483 -1.964) 5.119 33.572 ( -3.503 -0.929 1.567) 3.949 33.635 ( -0.591 0.102 -1.734) 1.835 34.149 ( -0.358 -6.558 2.241) 6.940 34.213 ( 1.032 -5.161 -1.886) 5.591 36.064 ( -3.034 7.246 0.816) 7.898 36.118 ( 0.586 8.044 -0.811) 8.106 ======================= Grid point 192 (85/102) ======================= q-point: (-0.27 -0.55 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.058 0.930 16.399) 16.459 1.314 ( 3.249 -7.441 -20.810) 22.338 1.877 ( -13.416 4.684 -4.272) 14.838 1.912 ( -3.923 7.441 3.769) 9.217 2.289 ( -0.593 10.477 0.297) 10.498 2.312 ( -15.141 4.250 7.310) 17.342 2.470 ( 5.746 13.231 -1.184) 14.473 2.540 ( -2.453 -3.447 -1.264) 4.415 2.669 ( -1.751 -0.255 2.180) 2.808 2.733 ( -3.227 -0.347 -6.409) 7.184 2.832 ( -4.556 -6.527 1.890) 8.181 2.904 ( 1.954 -1.622 0.795) 2.661 3.047 ( 5.056 -4.170 1.686) 6.767 3.116 ( 2.600 -1.233 -5.207) 5.949 3.192 ( 0.953 -6.462 3.659) 7.487 3.318 ( 3.182 2.207 0.572) 3.915 3.358 ( -2.768 -1.381 5.997) 6.748 3.448 ( -0.917 -6.416 2.805) 7.062 3.479 ( 5.486 -0.649 -6.572) 8.585 3.532 ( -6.225 1.847 -4.637) 7.979 3.649 ( 1.474 2.657 3.473) 4.615 3.813 ( 1.696 -5.335 -2.287) 6.047 3.912 ( -8.956 -2.669 -0.304) 9.350 4.048 ( 2.021 2.329 -3.905) 4.976 4.138 ( 1.164 3.275 11.142) 11.671 4.537 ( 7.713 3.921 -8.623) 12.216 4.559 ( -3.679 11.094 4.468) 12.513 4.706 ( 2.135 9.880 -1.995) 10.303 4.998 ( -5.356 1.951 -3.321) 6.597 5.040 ( -3.415 0.728 2.035) 4.042 5.185 ( -7.414 2.767 3.027) 8.472 5.369 ( -2.034 5.180 7.848) 9.621 5.457 ( 0.173 2.089 -4.094) 4.600 5.516 ( -0.032 1.614 -3.968) 4.284 5.697 ( -2.498 -3.211 3.229) 5.194 5.712 ( 3.050 -4.219 0.694) 5.252 5.848 ( 2.253 -5.496 -2.184) 6.329 5.955 ( 8.097 -6.341 -6.519) 12.176 6.076 ( -2.954 -5.081 4.120) 7.178 6.249 ( 4.398 -6.855 3.041) 8.694 6.440 ( -5.550 1.434 -5.100) 7.672 6.603 ( 4.384 0.573 3.215) 5.467 6.638 ( -3.767 -5.917 -2.307) 7.384 6.765 ( 3.821 -2.960 -2.163) 5.295 6.883 ( -0.581 -5.286 5.093) 7.364 7.019 ( 3.125 -3.751 -0.638) 4.924 7.090 ( -2.388 3.394 -2.829) 5.023 7.131 ( 1.671 -2.523 1.073) 3.211 7.242 ( 0.250 1.258 -0.341) 1.327 7.282 ( 3.928 -2.034 1.804) 4.778 7.541 ( -1.325 3.069 -0.719) 3.419 7.569 ( 0.591 1.292 0.659) 1.566 7.771 ( -0.974 2.034 -0.125) 2.259 7.815 ( -0.539 2.556 1.938) 3.252 7.875 ( -1.185 1.747 -1.165) 2.411 7.955 ( 4.204 1.877 -0.873) 4.686 8.943 ( -2.704 -0.187 -0.054) 2.711 9.030 ( 1.466 0.287 -0.531) 1.586 9.348 ( 1.133 -2.214 1.303) 2.808 9.384 ( 2.601 -3.190 -0.960) 4.227 10.125 ( 0.688 -1.869 2.240) 2.997 10.157 ( 0.157 -1.956 -3.054) 3.630 10.528 ( 0.394 0.146 1.727) 1.777 10.558 ( 1.073 -0.647 -0.075) 1.256 11.994 ( -0.377 -0.099 0.469) 0.610 12.020 ( 0.123 0.358 -1.380) 1.431 13.797 ( -2.125 1.365 -3.147) 4.035 13.827 ( -0.517 1.611 -0.306) 1.719 13.983 ( -3.301 0.401 -2.156) 3.963 14.043 ( 1.407 -0.020 1.999) 2.444 14.076 ( -0.990 1.923 6.379) 6.735 14.285 ( 4.570 5.575 0.910) 7.265 14.521 ( 0.027 -1.056 1.217) 1.612 14.641 ( 2.108 -1.969 -5.961) 6.622 15.391 ( -0.829 -0.442 2.664) 2.825 15.428 ( -0.732 -0.111 -1.374) 1.561 15.875 ( -2.283 1.906 1.366) 3.273 15.942 ( -0.087 1.830 0.190) 1.841 16.199 ( -3.374 0.457 -2.186) 4.046 16.264 ( 0.481 2.559 -0.126) 2.607 16.550 ( -0.892 0.974 -0.107) 1.325 16.659 ( 4.132 2.092 0.674) 4.680 17.389 ( 1.172 -1.937 2.913) 3.689 17.411 ( 0.679 -2.493 -2.590) 3.658 20.290 ( -2.709 -0.537 -1.791) 3.292 20.422 ( 4.718 1.503 1.727) 5.244 21.554 ( -1.092 -4.558 -0.568) 4.721 21.609 ( 1.610 -3.743 0.513) 4.107 25.010 ( -0.190 2.232 -0.509) 2.298 25.107 ( 5.872 4.716 0.644) 7.559 27.716 ( 1.273 0.710 -0.875) 1.700 27.762 ( 4.026 1.641 0.791) 4.419 28.694 ( -0.078 -0.226 0.120) 0.267 28.718 ( 0.776 0.130 -0.125) 0.796 29.278 ( -0.256 -0.429 -0.295) 0.580 29.301 ( 0.617 -0.143 0.272) 0.690 31.930 ( -0.826 -3.848 -0.153) 3.939 31.933 ( -0.623 -3.618 0.152) 3.674 33.006 ( -5.096 5.457 0.424) 7.478 33.129 ( 0.430 4.638 -0.694) 4.710 33.343 ( -5.968 6.970 0.470) 9.188 33.414 ( -3.271 4.831 -0.335) 5.844 33.686 ( -1.568 -10.336 1.118) 10.514 33.748 ( 0.435 -10.701 -1.098) 10.766 34.292 ( 1.704 -7.826 1.768) 8.203 34.332 ( 1.035 -8.591 -1.649) 8.809 35.899 ( -3.551 8.153 0.392) 8.901 35.963 ( -0.758 9.552 -0.389) 9.589 ======================= Grid point 193 (86/102) ======================= q-point: (-0.18 -0.55 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -9.082 4.979 11.581) 15.537 1.465 ( 1.543 -7.266 -13.796) 15.668 1.587 ( -13.526 7.565 -3.595) 15.910 1.821 ( -4.795 -0.143 2.463) 5.393 2.025 ( -3.245 15.240 -2.868) 15.843 2.076 ( -14.844 8.681 4.254) 17.715 2.321 ( 3.873 8.152 -0.469) 9.037 2.554 ( -5.714 4.050 7.688) 10.399 2.636 ( -0.020 -2.741 3.208) 4.220 2.731 ( 5.189 -4.207 -8.754) 11.011 2.861 ( -3.664 -0.816 2.069) 4.286 3.012 ( 1.230 -4.309 -2.203) 4.993 3.028 ( 0.913 4.381 -3.563) 5.720 3.133 ( -3.741 1.435 2.772) 4.872 3.225 ( 2.407 0.381 0.485) 2.485 3.347 ( -5.320 0.004 2.922) 6.069 3.391 ( 1.543 0.839 -1.578) 2.361 3.445 ( -0.258 -0.488 -2.335) 2.399 3.504 ( 2.806 -3.382 3.771) 5.791 3.619 ( 5.207 -2.138 -3.076) 6.415 3.714 ( 2.636 -10.242 -0.524) 10.589 3.862 ( -2.055 -1.644 3.131) 4.090 3.971 ( -1.991 -7.003 0.953) 7.343 4.016 ( -2.543 1.387 -2.425) 3.777 4.179 ( 4.499 -2.536 4.254) 6.691 4.319 ( -2.150 12.496 2.142) 12.859 4.516 ( 6.875 8.527 -5.062) 12.067 4.603 ( 7.299 4.097 -0.224) 8.374 4.892 ( -6.094 3.992 -3.739) 8.189 4.990 ( -9.523 -1.392 3.484) 10.236 5.076 ( -3.033 3.042 -3.740) 5.696 5.313 ( -1.794 1.707 9.219) 9.546 5.434 ( 0.369 -0.982 -4.470) 4.591 5.506 ( 0.124 -1.123 -0.155) 1.140 5.768 ( -1.348 -7.470 2.157) 7.891 5.801 ( 1.633 -1.309 0.472) 2.146 5.924 ( -1.197 -4.874 -6.096) 7.896 6.078 ( 0.651 -1.024 4.203) 4.375 6.188 ( 6.410 -7.362 -4.819) 10.886 6.335 ( 4.878 4.545 7.216) 9.825 6.376 ( -1.732 -1.166 0.190) 2.097 6.642 ( 2.441 -1.710 -2.338) 3.788 6.682 ( -3.605 -2.683 -2.910) 5.354 6.836 ( 3.014 -2.681 -2.265) 4.627 6.989 ( 0.746 0.213 3.209) 3.302 7.014 ( 1.616 -1.344 -0.724) 2.223 7.075 ( 1.279 0.011 -0.915) 1.573 7.171 ( 4.698 1.179 1.168) 4.983 7.233 ( -1.989 -2.911 0.656) 3.586 7.344 ( -3.771 1.467 -2.154) 4.584 7.499 ( 3.452 -0.453 2.326) 4.187 7.538 ( -2.086 0.391 -0.850) 2.286 7.744 ( -0.951 1.258 0.004) 1.577 7.780 ( -0.264 1.389 3.540) 3.812 7.828 ( -2.580 1.381 -1.660) 3.364 7.951 ( 3.069 2.019 -0.933) 3.791 8.928 ( -1.670 -0.332 0.913) 1.932 9.026 ( 0.594 0.797 -1.822) 2.076 9.398 ( 1.239 -1.763 3.425) 4.046 9.462 ( 2.317 -3.387 -2.114) 4.616 10.160 ( -0.143 -1.173 -1.721) 2.088 10.192 ( 1.275 -1.952 1.816) 2.955 10.521 ( -0.766 0.460 -1.792) 2.002 10.586 ( 1.643 -0.939 1.338) 2.317 11.993 ( -0.366 -0.207 0.008) 0.420 12.017 ( 0.427 0.219 0.019) 0.480 13.760 ( -1.458 0.428 -3.400) 3.724 13.796 ( -0.327 1.491 -0.303) 1.556 13.941 ( -3.840 -0.166 -3.902) 5.477 14.028 ( -1.026 1.518 1.222) 2.202 14.076 ( 1.315 0.003 4.353) 4.547 14.243 ( 4.549 4.532 6.094) 8.852 14.537 ( 0.260 -0.526 0.552) 0.806 14.679 ( 1.971 -0.885 -6.089) 6.461 15.398 ( -1.252 -0.995 2.399) 2.884 15.438 ( -0.652 -1.945 -0.771) 2.192 15.821 ( -2.261 1.798 -0.563) 2.943 15.910 ( 0.028 1.883 0.520) 1.954 16.173 ( -1.625 -0.185 0.204) 1.649 16.217 ( -0.362 2.832 -0.148) 2.858 16.527 ( -1.143 0.463 -1.984) 2.336 16.655 ( 3.222 2.504 1.397) 4.313 17.429 ( 0.572 -1.302 1.555) 2.107 17.460 ( 1.219 -2.405 -1.212) 2.956 20.280 ( -2.057 -1.155 -2.454) 3.404 20.436 ( 3.857 1.777 2.341) 4.850 21.615 ( -0.682 -3.523 -0.509) 3.624 21.676 ( 1.300 -2.333 0.450) 2.709 24.974 ( -0.520 1.323 -2.144) 2.573 25.087 ( 5.032 3.767 2.376) 6.720 27.719 ( 1.097 0.052 -1.369) 1.755 27.775 ( 3.458 1.071 1.208) 3.817 28.696 ( -0.036 -0.154 -0.095) 0.185 28.722 ( 0.522 0.188 0.104) 0.565 29.282 ( -0.131 -0.253 -0.413) 0.502 29.307 ( 0.376 0.001 0.382) 0.536 31.982 ( -0.649 -2.886 -0.108) 2.960 31.985 ( -0.632 -3.042 0.078) 3.108 32.868 ( -4.863 4.884 0.345) 6.900 33.048 ( -0.190 4.517 -0.477) 4.546 33.163 ( -5.982 6.771 0.093) 9.035 33.296 ( -2.632 5.028 -0.008) 5.675 33.828 ( -1.617 -7.690 -0.448) 7.871 33.934 ( 1.578 -9.039 0.791) 9.210 34.417 ( 0.156 -6.034 -0.383) 6.049 34.514 ( 2.738 -9.149 0.116) 9.551 35.738 ( -2.861 6.873 0.066) 7.445 35.796 ( -1.131 8.490 -0.063) 8.565 ======================= Grid point 194 (87/102) ======================= q-point: (-0.09 -0.55 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -21.528 7.237 5.461) 23.359 1.388 ( -3.857 5.200 -6.542) 9.204 1.550 ( -7.975 -8.311 4.536) 12.379 1.732 ( -6.160 9.541 4.634) 12.266 1.769 ( -3.667 8.965 0.954) 9.733 1.958 ( -3.321 -8.887 -8.570) 12.785 2.207 ( -0.584 7.434 -5.138) 9.055 2.503 ( -0.478 -0.388 7.266) 7.292 2.616 ( -0.451 1.142 1.974) 2.325 2.813 ( -0.916 2.641 5.645) 6.299 2.886 ( -3.937 0.947 -0.324) 4.062 2.937 ( 2.340 -0.031 -8.636) 8.947 3.037 ( 1.427 -2.003 1.709) 2.994 3.146 ( 2.172 -1.656 -2.623) 3.787 3.238 ( 2.456 2.766 -0.955) 3.820 3.332 ( 1.487 -3.301 0.426) 3.645 3.371 ( 3.564 1.369 -2.979) 4.843 3.451 ( -3.587 0.390 3.112) 4.765 3.565 ( 2.448 1.188 1.976) 3.362 3.638 ( 0.219 -0.971 -3.839) 3.966 3.857 ( -4.052 1.339 2.716) 5.059 3.951 ( 2.073 -7.987 1.863) 8.459 3.957 ( -1.275 -0.505 2.979) 3.280 4.036 ( 5.545 1.343 1.813) 5.987 4.127 ( 0.991 5.412 -2.160) 5.911 4.288 ( 4.115 -1.256 -0.672) 4.354 4.444 ( 5.899 3.601 -1.066) 6.993 4.636 ( 1.496 -0.412 -1.697) 2.300 4.748 ( -5.509 5.155 -2.553) 7.965 4.890 ( -10.839 0.107 1.700) 10.972 5.053 ( 1.284 0.116 -4.533) 4.713 5.277 ( 0.254 2.179 6.050) 6.435 5.480 ( 1.450 -1.739 1.099) 2.516 5.540 ( -0.175 -0.951 -0.110) 0.974 5.771 ( 0.936 1.313 -5.772) 5.993 5.906 ( -1.624 -5.803 4.657) 7.616 6.013 ( -0.370 -6.280 -5.249) 8.193 6.108 ( 0.484 -4.643 3.980) 6.134 6.233 ( 0.703 6.881 8.892) 11.266 6.338 ( -0.133 3.090 1.233) 3.329 6.419 ( 4.807 -5.809 -3.066) 8.139 6.637 ( 3.338 2.924 -3.582) 5.702 6.732 ( -1.932 -5.077 -4.229) 6.884 6.889 ( 3.789 -1.644 -1.815) 4.511 6.976 ( -0.887 -0.844 -0.312) 1.263 7.025 ( -2.710 4.204 -0.011) 5.002 7.094 ( 2.672 -0.469 1.832) 3.274 7.191 ( 4.436 1.614 0.025) 4.721 7.245 ( -6.802 0.817 0.280) 6.857 7.272 ( 0.965 -2.308 1.161) 2.758 7.530 ( -2.759 -0.993 -1.809) 3.446 7.551 ( 5.337 0.755 0.089) 5.390 7.709 ( -2.839 0.365 -0.625) 2.930 7.751 ( -3.128 0.975 3.313) 4.660 7.792 ( -1.433 -0.167 -0.128) 1.448 7.959 ( 3.013 0.313 -0.033) 3.029 8.922 ( -0.680 -0.023 1.387) 1.545 9.018 ( 0.254 0.181 -2.519) 2.538 9.433 ( 0.205 -1.072 3.759) 3.914 9.529 ( 1.289 -2.424 -1.670) 3.213 10.160 ( -1.012 -0.040 -3.185) 3.342 10.247 ( 2.041 -1.868 4.655) 5.415 10.494 ( -1.786 0.893 -4.438) 4.867 10.618 ( 1.320 -0.708 1.793) 2.336 11.994 ( -0.268 -0.277 -0.448) 0.591 12.020 ( 0.561 0.099 0.965) 1.121 13.746 ( -0.556 -0.204 -3.034) 3.092 13.772 ( 0.048 0.999 -0.382) 1.071 13.910 ( -3.599 -0.874 -4.161) 5.571 13.997 ( -0.823 1.064 -0.031) 1.346 14.088 ( 0.617 -0.095 1.844) 1.947 14.237 ( 3.604 1.872 10.172) 10.953 14.546 ( 0.573 -0.055 0.012) 0.576 14.694 ( 1.234 -0.048 -6.088) 6.212 15.403 ( -1.477 -0.659 2.245) 2.767 15.468 ( -0.369 -1.646 -0.418) 1.738 15.779 ( -1.298 0.817 -2.061) 2.569 15.882 ( 0.333 1.627 1.191) 2.044 16.165 ( -0.078 1.369 0.874) 1.626 16.179 ( 0.039 0.177 0.533) 0.563 16.511 ( -1.486 -0.531 -3.816) 4.129 16.643 ( 2.040 1.814 2.486) 3.692 17.446 ( -0.187 -0.342 0.928) 1.007 17.506 ( 0.826 -1.822 -0.598) 2.088 20.284 ( -1.763 -1.724 -3.353) 4.162 20.442 ( 2.495 1.380 3.167) 4.261 21.656 ( -0.479 -1.836 -0.366) 1.933 21.711 ( 0.697 -0.574 0.318) 0.958 24.956 ( -1.324 -0.825 -3.447) 3.784 25.083 ( 2.995 1.446 3.768) 5.026 27.731 ( -0.014 -0.995 -1.730) 1.995 27.793 ( 1.790 -0.096 1.501) 2.338 28.698 ( -0.109 -0.215 -0.258) 0.353 28.723 ( 0.171 0.030 0.273) 0.324 29.283 ( -0.089 -0.118 -0.447) 0.471 29.310 ( 0.148 0.002 0.409) 0.435 32.011 ( -0.466 -0.989 0.234) 1.118 32.018 ( -0.528 -1.386 -0.288) 1.511 32.765 ( -2.610 2.839 0.305) 3.869 32.986 ( 0.333 2.377 -0.345) 2.425 33.023 ( -3.107 4.304 0.035) 5.309 33.208 ( -0.640 3.229 -0.002) 3.292 33.905 ( -1.138 -2.720 -1.012) 3.117 34.060 ( 2.022 -3.156 1.778) 4.149 34.496 ( -1.425 -3.783 -1.126) 4.196 34.655 ( 1.592 -4.344 0.401) 4.644 35.628 ( -0.637 3.766 -0.224) 3.826 35.673 ( 0.027 4.820 0.247) 4.827 ======================= Grid point 202 (88/102) ======================= q-point: (-0.45 -0.45 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 7.697 0.000 6.064) 9.799 1.165 ( -2.531 -0.000 -14.973) 15.185 1.864 ( 1.468 0.000 5.445) 5.640 1.868 ( -1.960 -0.000 0.001) 1.960 2.022 ( -0.541 -0.000 4.832) 4.862 2.124 ( 1.406 0.000 -4.103) 4.338 2.390 ( -7.633 -0.000 12.590) 14.723 2.536 ( -14.806 -0.000 -14.080) 20.431 2.558 ( -6.027 -0.000 -9.263) 11.051 2.594 ( 4.704 0.000 7.917) 9.209 2.739 ( 8.080 0.000 1.058) 8.149 2.859 ( 8.577 0.000 1.368) 8.685 3.049 ( 0.959 0.000 8.575) 8.628 3.065 ( 0.002 0.000 -2.704) 2.704 3.368 ( -9.060 -0.000 -3.158) 9.595 3.454 ( -1.573 -0.000 -1.568) 2.221 3.459 ( 4.564 0.000 1.356) 4.761 3.475 ( -5.011 -0.000 -1.967) 5.383 3.729 ( -7.642 -0.000 4.115) 8.679 3.809 ( 3.725 0.000 0.115) 3.727 3.827 ( 7.639 0.000 -1.339) 7.755 3.884 ( -1.304 -0.000 -5.309) 5.467 3.938 ( -6.270 -0.000 0.085) 6.271 4.046 ( -0.222 -0.000 -4.284) 4.290 4.439 ( -3.835 -0.000 6.830) 7.833 4.717 ( 5.275 0.000 -4.429) 6.887 4.766 ( -1.632 -0.000 0.492) 1.704 4.776 ( 1.430 0.000 3.925) 4.177 5.020 ( -5.129 -0.000 6.027) 7.914 5.131 ( -0.346 -0.000 -6.517) 6.526 5.245 ( -1.738 -0.000 5.404) 5.676 5.334 ( 3.922 0.000 0.355) 3.938 5.566 ( -0.610 -0.000 -3.850) 3.898 5.583 ( 0.875 0.000 0.064) 0.878 5.638 ( -2.677 -0.000 -1.027) 2.867 5.676 ( 2.080 0.000 0.371) 2.113 5.705 ( 0.688 0.000 5.738) 5.779 5.747 ( -2.975 -0.000 -7.592) 8.154 5.905 ( 5.028 0.000 11.930) 12.946 6.008 ( -7.071 -0.000 -15.290) 16.846 6.382 ( 5.177 0.000 10.712) 11.897 6.470 ( -1.442 -0.000 -8.075) 8.202 6.571 ( -3.341 -0.000 -4.370) 5.501 6.573 ( 3.957 0.000 4.727) 6.165 6.804 ( -1.088 -0.000 -1.701) 2.019 6.818 ( 3.723 0.000 4.148) 5.574 6.916 ( -4.764 -0.000 2.203) 5.249 7.087 ( 3.539 0.000 -4.903) 6.047 7.382 ( -2.074 -0.000 0.239) 2.088 7.405 ( -0.560 -0.000 0.843) 1.012 7.577 ( 3.775 0.000 3.789) 5.348 7.605 ( 0.129 0.000 -2.119) 2.123 7.913 ( -1.565 -0.000 0.421) 1.620 7.928 ( 5.236 0.000 3.363) 6.223 7.931 ( -0.817 -0.000 -1.671) 1.860 7.945 ( 0.625 0.000 -2.643) 2.716 8.947 ( 4.137 0.000 7.017) 8.146 8.984 ( -3.975 -0.000 -8.094) 9.018 9.260 ( 3.179 0.000 3.499) 4.728 9.287 ( -0.992 -0.000 -4.484) 4.593 10.074 ( -0.316 -0.000 -0.486) 0.579 10.079 ( 0.390 0.000 -0.474) 0.614 10.525 ( 0.520 0.000 2.321) 2.378 10.538 ( 1.022 0.000 1.693) 1.978 11.996 ( -0.394 -0.000 0.683) 0.789 12.033 ( -0.019 -0.000 -3.069) 3.069 13.866 ( -1.015 -0.000 1.867) 2.125 13.895 ( -2.218 -0.000 -3.200) 3.893 14.000 ( 3.218 0.000 7.001) 7.705 14.051 ( -2.703 -0.000 -6.334) 6.887 14.168 ( -4.453 -0.000 7.200) 8.466 14.419 ( 7.320 0.000 -6.295) 9.654 14.472 ( -0.287 -0.000 4.539) 4.548 14.560 ( 0.249 0.000 -5.101) 5.107 15.414 ( -0.415 -0.000 4.074) 4.095 15.484 ( 0.166 0.000 -3.355) 3.359 15.955 ( -1.580 -0.000 3.561) 3.896 15.996 ( -0.666 -0.000 0.136) 0.680 16.268 ( -5.430 -0.000 -5.195) 7.515 16.316 ( 2.756 0.000 -0.196) 2.763 16.605 ( 0.018 0.000 1.169) 1.169 16.657 ( 4.382 0.000 0.945) 4.483 17.310 ( 0.844 0.000 1.589) 1.799 17.327 ( 0.232 0.000 -1.404) 1.423 20.316 ( -3.955 -0.000 -0.635) 4.006 20.411 ( 5.475 0.000 0.571) 5.505 21.399 ( -1.886 -0.000 0.066) 1.887 21.444 ( 1.773 0.000 -0.044) 1.774 25.095 ( -0.523 -0.000 3.088) 3.132 25.218 ( 6.581 0.000 -3.108) 7.278 27.742 ( 0.513 0.000 0.241) 0.567 27.786 ( 3.914 0.000 -0.189) 3.918 28.684 ( -0.322 -0.000 0.510) 0.603 28.711 ( 1.143 0.000 -0.533) 1.262 29.262 ( -0.585 -0.000 0.070) 0.589 29.283 ( 0.928 0.000 -0.084) 0.932 31.809 ( -0.905 -0.000 0.233) 0.935 31.816 ( -0.699 -0.000 -0.204) 0.729 33.201 ( -1.355 -0.000 0.314) 1.390 33.221 ( -0.231 -0.000 -0.960) 0.987 33.260 ( -1.451 -0.000 1.241) 1.909 33.291 ( 0.219 0.000 -0.644) 0.680 33.633 ( -4.271 -0.000 1.574) 4.552 33.704 ( -2.154 -0.000 -2.361) 3.196 34.037 ( -2.687 -0.000 2.296) 3.535 34.132 ( 1.211 0.000 -1.475) 1.908 36.199 ( -3.622 -0.000 0.999) 3.757 36.270 ( 1.341 0.000 -1.017) 1.683 ======================= Grid point 203 (89/102) ======================= q-point: (-0.36 -0.45 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 5.169 3.808 5.941) 8.747 1.182 ( 2.759 -0.911 -12.877) 13.201 1.899 ( -8.132 -3.347 -0.282) 8.799 2.018 ( 0.522 -8.876 5.232) 10.317 2.088 ( -2.170 -14.524 -1.708) 14.784 2.157 ( 1.902 -5.152 -4.431) 7.057 2.321 ( -13.086 0.354 6.027) 14.411 2.414 ( -11.774 -5.968 -4.542) 13.960 2.551 ( -6.058 -6.480 -5.892) 10.649 2.689 ( -1.026 -1.739 5.046) 5.435 2.797 ( 3.892 0.693 1.476) 4.220 2.897 ( 5.722 1.130 6.438) 8.688 3.013 ( 3.859 4.502 -2.544) 6.452 3.139 ( 4.820 -2.252 3.791) 6.533 3.266 ( -2.262 1.293 3.150) 4.088 3.337 ( -8.064 9.719 -1.508) 12.719 3.430 ( -2.730 1.839 -2.825) 4.338 3.460 ( 0.832 0.935 -3.575) 3.788 3.658 ( -1.122 2.621 5.862) 6.519 3.709 ( -0.280 7.339 -5.211) 9.005 3.773 ( 1.594 8.266 -4.360) 9.480 3.790 ( -1.441 6.488 3.634) 7.574 3.936 ( -4.186 -0.653 -0.627) 4.283 4.071 ( -2.278 -2.602 -2.136) 4.065 4.377 ( 0.623 6.464 3.280) 7.275 4.669 ( 1.730 4.904 -2.826) 5.918 4.750 ( -3.719 0.640 3.364) 5.056 4.814 ( -1.774 0.143 0.107) 1.783 5.015 ( -5.549 -2.933 5.082) 8.076 5.081 ( -1.052 2.339 -4.673) 5.330 5.220 ( -3.568 0.342 4.163) 5.493 5.442 ( 4.116 -4.580 -3.550) 7.108 5.555 ( -0.078 1.436 -1.966) 2.435 5.590 ( 0.995 -0.861 0.357) 1.364 5.642 ( -2.173 3.590 -3.705) 5.598 5.667 ( -3.269 -4.493 -0.753) 5.607 5.711 ( 3.037 -6.074 -0.375) 6.801 5.768 ( 2.254 1.819 5.359) 6.092 5.930 ( -4.300 -0.885 -10.663) 11.531 5.988 ( 6.466 -2.564 10.001) 12.182 6.407 ( -0.667 0.363 -0.556) 0.941 6.511 ( 0.703 -4.946 -3.854) 6.310 6.554 ( -1.331 -1.243 -1.096) 2.125 6.645 ( 4.272 -2.645 4.914) 7.028 6.795 ( -0.325 -0.259 -0.930) 1.019 6.887 ( 3.718 -2.966 1.341) 4.942 6.925 ( -2.970 -5.339 2.032) 6.438 7.121 ( 3.091 -1.148 -2.558) 4.173 7.306 ( -3.324 4.723 -0.124) 5.777 7.398 ( -0.226 1.167 0.713) 1.386 7.598 ( -0.047 0.585 -1.679) 1.779 7.618 ( 5.803 1.287 3.408) 6.852 7.870 ( -1.866 2.646 -0.743) 3.322 7.907 ( -0.388 2.064 0.600) 2.184 7.935 ( -0.072 1.250 -1.881) 2.259 7.992 ( 6.758 0.185 0.726) 6.800 8.937 ( -3.288 0.045 -5.619) 6.510 9.008 ( 3.439 -1.198 5.236) 6.378 9.284 ( -0.137 -1.057 -4.420) 4.546 9.310 ( 4.109 -1.249 3.207) 5.360 10.078 ( 0.175 -0.718 0.287) 0.793 10.095 ( 0.636 -1.274 -0.665) 1.571 10.533 ( 0.655 0.033 1.393) 1.540 10.550 ( 1.352 0.089 1.140) 1.771 11.993 ( -0.444 0.005 0.902) 1.005 12.028 ( -0.084 0.089 -2.571) 2.574 13.843 ( -2.883 1.026 -1.688) 3.495 13.859 ( -2.885 0.220 -0.895) 3.029 14.008 ( -2.321 0.775 -4.334) 4.978 14.037 ( 1.607 -0.288 3.461) 3.826 14.137 ( -2.151 1.146 7.577) 7.960 14.452 ( 4.897 2.994 1.545) 5.944 14.492 ( 3.358 -0.340 -0.531) 3.416 14.570 ( 0.892 -1.510 -5.398) 5.676 15.406 ( -0.533 0.808 3.828) 3.949 15.468 ( -0.162 1.433 -3.038) 3.363 15.930 ( -2.499 1.109 2.908) 3.991 15.980 ( -1.593 0.475 -0.128) 1.667 16.207 ( -5.887 0.056 -4.583) 7.460 16.331 ( 1.989 1.152 0.707) 2.404 16.600 ( 1.290 1.451 0.584) 2.028 16.703 ( 5.275 0.326 0.315) 5.295 17.332 ( 1.411 -1.101 2.141) 2.791 17.341 ( 0.891 -1.246 -1.821) 2.380 20.281 ( -3.183 -0.093 -1.045) 3.352 20.461 ( 6.025 0.643 1.111) 6.160 21.408 ( -1.637 -2.989 -0.441) 3.436 21.484 ( 1.684 -2.637 0.365) 3.150 25.089 ( 1.203 1.622 2.603) 3.294 25.267 ( 10.199 3.317 -2.573) 11.029 27.750 ( 2.490 0.797 -0.185) 2.621 27.822 ( 5.763 1.247 0.218) 5.901 28.685 ( 0.171 -0.195 0.268) 0.374 28.723 ( 1.437 0.085 -0.276) 1.466 29.261 ( -0.236 -0.404 -0.221) 0.517 29.294 ( 0.893 -0.190 0.196) 0.934 31.816 ( -1.485 -2.122 0.109) 2.592 31.824 ( -1.300 -2.064 -0.094) 2.441 33.161 ( -3.103 3.171 0.345) 4.450 33.209 ( -1.071 -0.133 -0.927) 1.423 33.303 ( -1.470 -6.221 1.723) 6.620 33.344 ( -0.637 -5.665 -1.251) 5.837 33.560 ( -6.627 2.628 0.980) 7.196 33.642 ( -5.357 2.106 -1.280) 5.897 34.050 ( -1.477 -4.083 0.995) 4.455 34.155 ( -0.205 -2.496 -0.568) 2.568 36.124 ( -5.121 4.013 0.654) 6.539 36.235 ( 0.347 5.010 -0.710) 5.072 ======================= Grid point 204 (90/102) ======================= q-point: (-0.27 -0.45 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.671 3.796 10.781) 12.347 1.216 ( 2.149 -3.255 -16.116) 16.581 1.776 ( -16.536 1.476 -5.099) 17.368 2.000 ( -7.348 6.162 -1.261) 9.673 2.203 ( -11.203 -0.307 10.531) 15.379 2.354 ( -7.618 -7.994 -9.028) 14.263 2.383 ( 0.240 -11.621 1.290) 11.694 2.474 ( -4.176 -14.526 2.289) 15.287 2.530 ( -4.914 0.021 -1.328) 5.090 2.616 ( -8.313 -8.085 -3.929) 12.244 2.852 ( 5.012 9.059 0.216) 10.355 2.974 ( 2.494 0.575 7.659) 8.076 3.020 ( 2.454 -0.678 -1.396) 2.903 3.105 ( -2.152 -0.162 1.135) 2.438 3.181 ( 2.097 0.709 5.649) 6.067 3.306 ( -1.299 -0.941 8.305) 8.458 3.366 ( -0.476 0.427 -4.657) 4.701 3.421 ( 2.011 4.046 -1.929) 4.913 3.520 ( -6.454 6.006 -2.882) 9.275 3.623 ( 8.622 6.419 -8.733) 13.850 3.696 ( -2.756 1.587 5.107) 6.016 3.766 ( 4.927 -2.517 1.112) 5.644 3.855 ( -4.520 4.774 -0.278) 6.580 4.072 ( -1.810 -0.887 -0.584) 2.098 4.251 ( 0.931 8.327 1.281) 8.476 4.608 ( -3.044 1.766 0.032) 3.519 4.670 ( -1.011 5.435 0.421) 5.544 4.781 ( -1.795 0.429 -1.279) 2.246 4.953 ( -8.229 1.111 -3.194) 8.897 4.990 ( -10.929 2.788 2.033) 11.460 5.205 ( 1.017 2.276 4.544) 5.183 5.466 ( -3.702 1.262 -7.071) 8.080 5.481 ( -1.452 6.716 6.551) 9.493 5.537 ( 1.384 1.122 -2.105) 2.758 5.666 ( 0.591 -0.707 -2.099) 2.293 5.718 ( 1.373 1.500 2.963) 3.594 5.786 ( 3.390 -4.444 -0.732) 5.637 5.903 ( 7.373 -9.433 -1.843) 12.113 5.972 ( 2.151 -5.436 0.046) 5.846 6.135 ( 4.025 -8.133 0.784) 9.109 6.406 ( -1.047 -0.857 -3.536) 3.786 6.514 ( -3.737 -2.507 -5.701) 7.263 6.641 ( 2.256 -3.449 4.427) 6.048 6.749 ( 4.620 -4.570 2.572) 6.989 6.812 ( 0.856 -1.820 1.362) 2.429 6.974 ( 1.613 -4.105 -0.364) 4.425 7.027 ( -0.405 -6.508 2.540) 6.997 7.137 ( -0.429 3.053 -2.015) 3.683 7.253 ( 3.186 -2.273 0.743) 3.984 7.351 ( 0.590 4.354 -0.032) 4.393 7.576 ( -0.664 1.658 -0.160) 1.793 7.624 ( 2.115 3.760 0.544) 4.349 7.812 ( 0.049 2.071 0.814) 2.226 7.856 ( -0.296 3.491 1.215) 3.708 7.893 ( -2.072 2.123 -1.614) 3.377 8.034 ( 5.825 2.221 -0.776) 6.283 8.907 ( -2.889 -0.610 -3.006) 4.214 9.050 ( 1.804 0.152 3.012) 3.514 9.316 ( 1.437 -2.583 -2.553) 3.905 9.379 ( 4.382 -1.599 1.633) 4.942 10.105 ( 1.094 -1.615 1.028) 2.206 10.127 ( 0.750 -1.799 -0.722) 2.078 10.536 ( 0.246 0.256 -0.530) 0.638 10.565 ( 1.678 -0.113 1.340) 2.150 11.990 ( -0.461 -0.024 0.931) 1.039 12.023 ( 0.033 0.116 -1.603) 1.607 13.786 ( -3.616 0.974 -4.619) 5.946 13.833 ( -1.929 0.453 1.076) 2.255 13.962 ( -2.668 1.053 -4.483) 5.323 14.057 ( 0.810 0.009 2.477) 2.606 14.106 ( -0.940 1.614 7.013) 7.257 14.428 ( 3.626 4.657 5.503) 8.070 14.521 ( 3.421 0.430 -1.862) 3.919 14.618 ( 2.806 -2.454 -5.688) 6.801 15.389 ( -0.879 0.765 2.965) 3.186 15.432 ( -0.701 1.541 -1.958) 2.588 15.881 ( -3.204 1.598 1.387) 3.840 15.954 ( -1.892 0.657 -0.444) 2.052 16.155 ( -4.788 -0.590 -2.012) 5.227 16.312 ( 0.409 2.520 0.758) 2.663 16.581 ( 1.359 2.365 0.064) 2.728 16.736 ( 5.086 1.664 -0.528) 5.377 17.374 ( 1.502 -1.729 0.470) 2.338 17.381 ( 1.921 -2.000 0.047) 2.774 20.258 ( -2.266 -0.305 -0.996) 2.494 20.500 ( 5.785 1.577 1.153) 6.106 21.462 ( -1.053 -4.744 -0.781) 4.922 21.559 ( 1.828 -3.986 0.639) 4.431 25.065 ( 1.860 3.130 1.741) 4.036 25.284 ( 11.715 6.596 -1.594) 13.539 27.758 ( 3.560 1.626 -0.560) 3.953 27.849 ( 6.499 2.495 0.519) 6.981 28.692 ( 0.524 -0.135 0.051) 0.543 28.733 ( 1.481 0.375 -0.037) 1.528 29.269 ( 0.056 -0.506 -0.474) 0.695 29.305 ( 0.707 -0.144 0.428) 0.838 31.853 ( -1.470 -3.773 -0.083) 4.050 31.861 ( -1.237 -3.668 0.083) 3.872 33.046 ( -5.562 5.205 0.162) 7.619 33.184 ( -1.468 2.233 -0.405) 2.703 33.373 ( -6.077 1.532 1.250) 6.390 33.395 ( -5.752 -0.972 -1.132) 5.942 33.498 ( -3.571 -7.903 0.412) 8.682 33.597 ( -2.577 -4.922 -0.397) 5.570 34.162 ( 1.113 -9.251 0.441) 9.328 34.219 ( -0.192 -5.377 -0.273) 5.387 35.979 ( -6.304 6.404 0.343) 8.992 36.109 ( -1.368 8.770 -0.442) 8.887 ======================= Grid point 205 (91/102) ======================= q-point: (-0.18 -0.45 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -1.616 8.341 8.717) 12.172 1.304 ( -2.319 -7.630 -12.880) 15.149 1.585 ( -13.068 2.098 -3.521) 13.696 1.753 ( -13.333 6.411 -3.966) 15.317 2.077 ( -9.589 5.994 9.999) 15.095 2.240 ( -5.274 7.226 -5.211) 10.353 2.479 ( -4.979 -2.819 -1.731) 5.978 2.552 ( 0.268 7.113 1.427) 7.260 2.605 ( -3.922 -1.233 1.452) 4.360 2.665 ( -0.939 -6.029 -0.240) 6.106 2.778 ( 0.209 -3.867 2.444) 4.579 2.961 ( 1.831 -3.049 2.046) 4.103 3.081 ( -2.751 3.457 -4.536) 6.332 3.114 ( 0.945 -4.426 5.205) 6.898 3.235 ( 0.516 -0.788 -3.973) 4.083 3.268 ( -7.387 0.390 -0.418) 7.409 3.329 ( 0.549 -1.017 0.739) 1.372 3.425 ( 0.733 -4.077 5.847) 7.166 3.499 ( -2.533 -3.252 -1.402) 4.354 3.638 ( 9.091 0.161 -5.233) 10.491 3.709 ( 7.003 2.536 3.157) 8.089 3.738 ( -7.001 -1.922 -0.631) 7.288 3.887 ( 6.752 -4.697 2.514) 8.601 4.068 ( 0.460 2.685 -7.349) 7.837 4.154 ( -2.432 0.262 7.728) 8.106 4.487 ( -4.696 8.617 1.555) 9.936 4.621 ( 2.693 1.390 -6.015) 6.735 4.746 ( 0.162 3.140 1.401) 3.442 4.816 ( -17.034 -0.099 4.584) 17.640 4.885 ( -4.770 0.010 -4.940) 6.867 5.131 ( -0.884 6.098 -0.340) 6.171 5.377 ( -1.121 6.529 8.451) 10.738 5.400 ( -3.248 -0.986 -6.885) 7.676 5.520 ( 1.694 2.532 3.501) 4.641 5.646 ( -1.997 -3.430 1.361) 4.195 5.804 ( 2.443 -4.610 -1.796) 5.517 5.846 ( 2.187 -0.989 -2.687) 3.603 6.077 ( 4.560 -3.089 5.658) 7.896 6.112 ( 4.245 -6.046 -4.358) 8.577 6.313 ( 1.414 -6.036 -6.805) 9.205 6.405 ( 4.941 -1.519 0.419) 5.186 6.580 ( -0.709 -6.791 -2.630) 7.317 6.683 ( 3.010 1.908 5.145) 6.258 6.834 ( 4.976 -1.009 -2.127) 5.505 6.919 ( 1.198 -6.778 4.132) 8.028 7.027 ( -2.673 -1.411 -2.446) 3.888 7.053 ( 0.720 -0.745 -0.335) 1.089 7.170 ( 2.556 -4.054 3.304) 5.821 7.275 ( 2.081 4.454 0.676) 4.962 7.334 ( -0.258 -0.263 -1.802) 1.840 7.529 ( -0.335 3.259 -1.931) 3.803 7.559 ( 1.281 1.947 2.484) 3.406 7.778 ( -1.915 4.056 -1.666) 4.784 7.795 ( -1.836 1.177 2.254) 3.136 7.840 ( -0.687 1.924 0.739) 2.173 8.024 ( 3.259 3.248 -1.134) 4.738 8.900 ( -1.570 -1.116 0.008) 1.926 9.045 ( 0.091 1.156 -0.907) 1.472 9.385 ( 2.535 -2.775 1.892) 4.208 9.444 ( 3.885 -1.495 -1.090) 4.304 10.141 ( 0.684 -1.129 -2.149) 2.522 10.174 ( 1.965 -2.256 3.146) 4.342 10.525 ( -0.532 0.782 -2.658) 2.821 10.589 ( 1.774 -0.646 1.588) 2.467 11.988 ( -0.435 -0.098 0.688) 0.820 12.022 ( 0.320 0.033 -0.442) 0.547 13.743 ( -2.185 0.140 -4.113) 4.659 13.809 ( -1.086 0.752 0.655) 1.475 13.914 ( -2.687 1.021 -3.423) 4.470 14.044 ( -1.248 1.355 0.698) 1.970 14.093 ( 0.308 0.522 4.935) 4.972 14.383 ( 3.779 5.413 7.941) 10.327 14.541 ( 2.465 0.240 -2.045) 3.211 14.674 ( 2.777 -1.429 -5.811) 6.597 15.377 ( -1.125 -0.280 1.650) 2.017 15.411 ( -0.712 -0.252 -0.425) 0.867 15.824 ( -3.302 1.515 -0.187) 3.638 15.924 ( -1.808 0.696 -0.520) 2.006 16.137 ( -2.733 -1.437 1.104) 3.279 16.260 ( -1.135 3.044 0.296) 3.262 16.547 ( 0.546 2.494 -0.703) 2.648 16.738 ( 3.976 3.028 -0.905) 5.079 17.416 ( 1.452 -1.457 -0.628) 2.151 17.438 ( 2.311 -2.043 1.236) 3.323 20.247 ( -1.474 -0.571 -0.760) 1.754 20.517 ( 4.795 2.507 0.884) 5.483 21.537 ( -0.477 -4.770 -0.666) 4.840 21.643 ( 1.904 -3.399 0.550) 3.935 25.023 ( 1.514 3.833 0.742) 4.187 25.258 ( 10.188 8.275 -0.508) 13.136 27.758 ( 3.374 2.135 -0.720) 4.057 27.858 ( 5.819 3.297 0.611) 6.716 28.698 ( 0.593 0.105 -0.102) 0.611 28.736 ( 1.185 0.670 0.128) 1.367 29.276 ( 0.175 -0.328 -0.578) 0.688 29.312 ( 0.425 0.049 0.520) 0.674 31.912 ( -0.856 -4.267 -0.204) 4.357 31.920 ( -0.655 -4.005 0.188) 4.062 32.899 ( -6.231 4.973 0.176) 7.974 33.105 ( -2.970 4.007 -0.305) 4.997 33.205 ( -8.432 6.007 0.093) 10.353 33.316 ( -6.765 2.424 -0.001) 7.186 33.650 ( -2.060 -10.767 -0.726) 10.986 33.758 ( 0.584 -12.158 0.959) 12.210 34.324 ( 0.898 -6.233 -0.327) 6.306 34.367 ( 3.407 -11.285 0.223) 11.791 35.807 ( -6.460 6.266 -0.006) 9.000 35.928 ( -3.103 9.435 -0.111) 9.933 ======================= Grid point 206 (92/102) ======================= q-point: (-0.09 -0.45 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -6.374 15.731 4.540) 17.570 1.330 ( -9.510 -6.041 -0.955) 11.307 1.446 ( -4.393 5.917 -8.534) 11.276 1.700 ( -8.663 -11.278 -1.547) 14.305 1.869 ( -1.076 9.710 4.119) 10.602 2.023 ( 0.711 14.234 0.402) 14.257 2.363 ( -0.726 9.214 -4.578) 10.314 2.488 ( -2.290 0.887 8.948) 9.279 2.592 ( -3.460 -1.942 -1.554) 4.261 2.764 ( -2.796 -5.880 2.972) 7.157 2.819 ( -2.557 -1.109 3.455) 4.439 2.975 ( -0.985 2.974 -9.517) 10.020 3.019 ( 0.260 -1.500 0.433) 1.582 3.154 ( 2.093 0.412 0.044) 2.134 3.260 ( -1.137 -3.233 -3.112) 4.629 3.297 ( 3.516 -4.293 4.437) 7.105 3.373 ( -3.450 -2.366 -6.433) 7.673 3.470 ( 2.434 2.419 -1.142) 3.617 3.550 ( 1.378 -6.748 7.536) 10.210 3.618 ( -5.087 1.833 2.438) 5.931 3.777 ( -1.880 -3.654 -2.689) 4.911 3.813 ( 3.752 -5.678 0.838) 6.857 3.973 ( -1.177 4.319 -3.156) 5.476 4.038 ( 4.792 -4.058 3.255) 7.073 4.209 ( -1.994 -3.627 5.323) 6.743 4.305 ( 0.621 6.038 -4.180) 7.370 4.559 ( -4.444 3.895 -5.308) 7.943 4.692 ( 0.761 1.844 3.298) 3.854 4.773 ( -2.344 -0.812 2.310) 3.389 4.794 ( -8.791 1.997 -0.264) 9.018 5.017 ( -3.648 3.299 -5.556) 7.420 5.289 ( -2.975 0.919 4.538) 5.503 5.456 ( 3.462 -4.743 -3.766) 6.976 5.513 ( 0.993 -0.119 5.451) 5.542 5.750 ( -1.160 -8.391 2.803) 8.923 5.842 ( 3.033 3.032 -1.998) 4.731 5.904 ( 0.529 -5.702 -4.268) 7.142 6.117 ( 1.279 2.197 3.743) 4.525 6.220 ( -0.157 -5.351 3.112) 6.192 6.361 ( 3.399 -1.129 -8.752) 9.457 6.504 ( 5.036 1.306 1.748) 5.488 6.656 ( 2.103 2.005 3.231) 4.345 6.691 ( 3.716 -2.849 -1.437) 4.898 6.881 ( 1.412 -1.360 -3.266) 3.810 6.968 ( -0.572 0.073 -1.659) 1.756 7.053 ( -1.466 1.319 3.682) 4.177 7.095 ( 3.044 -2.461 -1.159) 4.082 7.189 ( -6.139 1.362 -2.070) 6.620 7.244 ( 0.930 -1.978 5.227) 5.665 7.311 ( 6.810 3.356 -0.732) 7.627 7.475 ( -3.294 -0.110 -2.363) 4.055 7.595 ( 2.729 0.339 0.401) 2.779 7.701 ( -2.396 1.383 -0.712) 2.857 7.748 ( -2.933 0.856 3.005) 4.286 7.798 ( -1.105 2.078 -0.638) 2.438 8.007 ( 3.053 2.008 0.031) 3.654 8.910 ( -0.450 -0.907 1.312) 1.658 9.024 ( -0.147 0.752 -2.561) 2.674 9.440 ( 2.134 -0.379 4.450) 4.950 9.504 ( 2.672 -2.110 -2.387) 4.158 10.151 ( 0.010 -0.109 -2.994) 2.996 10.240 ( 2.824 -2.098 4.824) 5.971 10.493 ( -1.441 1.300 -4.534) 4.932 10.620 ( 1.414 -0.740 1.529) 2.210 11.987 ( -0.347 -0.208 0.364) 0.544 12.026 ( 0.476 -0.021 0.313) 0.570 13.730 ( -0.729 -0.501 -3.209) 3.329 13.789 ( -0.114 0.945 -0.069) 0.954 13.874 ( -2.469 0.355 -1.980) 3.185 14.007 ( -1.274 1.294 0.027) 1.816 14.092 ( -0.203 0.138 2.461) 2.473 14.339 ( 2.977 4.652 8.964) 10.528 14.554 ( 1.689 0.225 -1.933) 2.577 14.699 ( 1.518 -0.033 -5.928) 6.119 15.380 ( -0.934 -0.855 1.635) 2.068 15.431 ( 0.215 -2.261 -0.120) 2.274 15.774 ( -2.403 0.858 -0.917) 2.711 15.897 ( -1.404 0.567 -0.079) 1.517 16.151 ( -1.015 -1.763 2.641) 3.333 16.199 ( -1.569 2.260 -0.267) 2.764 16.509 ( -0.385 1.756 -1.561) 2.381 16.711 ( 2.526 3.352 -0.581) 4.237 17.444 ( 0.989 -0.472 -0.104) 1.101 17.490 ( 1.877 -1.478 0.643) 2.475 20.247 ( -0.956 -0.847 -0.662) 1.439 20.508 ( 3.224 2.920 0.671) 4.402 21.606 ( -0.154 -3.556 -0.208) 3.566 21.703 ( 1.451 -1.592 0.163) 2.160 24.972 ( 0.686 3.133 -0.172) 3.212 25.201 ( 6.567 7.344 0.414) 9.861 27.748 ( 2.195 1.974 -0.704) 3.035 27.848 ( 3.934 3.232 0.568) 5.123 28.700 ( 0.475 0.228 -0.203) 0.565 28.733 ( 0.669 0.723 0.229) 1.011 29.281 ( 0.183 -0.123 -0.546) 0.589 29.313 ( 0.150 0.164 0.491) 0.539 31.973 ( -0.119 -3.240 -0.345) 3.260 31.977 ( -0.083 -2.897 0.313) 2.915 32.780 ( -4.404 2.783 0.199) 5.213 33.013 ( -3.483 2.638 -0.241) 4.376 33.052 ( -5.525 3.751 0.023) 6.678 33.223 ( -4.937 1.569 -0.004) 5.180 33.798 ( -1.364 -8.177 -0.905) 8.339 33.962 ( 0.994 -9.781 1.382) 9.928 34.429 ( 1.405 -4.466 -0.357) 4.695 34.573 ( 3.589 -8.121 0.002) 8.879 35.664 ( -4.994 3.663 -0.293) 6.200 35.754 ( -3.551 6.674 0.202) 7.563 ======================= Grid point 214 (93/102) ======================= q-point: (-0.36 -0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 4.794 0.000 -12.165) 13.075 1.247 ( 5.504 0.000 5.975) 8.124 1.809 ( -6.741 -0.000 1.845) 6.989 1.835 ( -8.387 -0.000 1.657) 8.549 1.973 ( -4.000 -0.000 1.970) 4.459 2.071 ( -11.816 -0.000 -24.755) 27.431 2.244 ( -2.161 -0.000 1.223) 2.483 2.260 ( -7.871 -0.000 17.228) 18.941 2.407 ( -9.232 -0.000 -10.088) 13.675 2.686 ( -1.123 -0.000 6.087) 6.189 2.837 ( 2.015 0.000 1.295) 2.395 2.924 ( -3.784 -0.000 7.213) 8.145 3.113 ( 5.808 0.000 6.576) 8.773 3.176 ( 6.717 0.000 -0.615) 6.745 3.253 ( -3.801 -0.000 4.358) 5.782 3.346 ( -8.039 -0.000 -0.118) 8.040 3.369 ( -7.852 -0.000 -4.942) 9.278 3.498 ( 4.589 0.000 -5.450) 7.125 3.646 ( -14.972 -0.000 -4.023) 15.503 3.672 ( 0.689 0.000 5.243) 5.288 3.814 ( -3.611 -0.000 -0.952) 3.734 3.860 ( -4.165 -0.000 6.491) 7.712 3.982 ( -1.326 -0.000 -6.075) 6.218 4.032 ( 7.054 0.000 -4.970) 8.629 4.443 ( 2.909 0.000 -1.265) 3.172 4.661 ( -6.737 -0.000 5.713) 8.833 4.819 ( 4.071 0.000 -5.278) 6.666 4.830 ( 3.795 0.000 1.886) 4.238 4.920 ( -5.877 -0.000 13.158) 14.411 5.081 ( -4.339 -0.000 -9.584) 10.521 5.236 ( 1.153 0.000 1.233) 1.688 5.391 ( 2.619 0.000 -2.929) 3.929 5.514 ( -2.514 -0.000 -3.359) 4.196 5.561 ( -4.560 -0.000 -0.612) 4.601 5.630 ( -0.343 -0.000 -6.398) 6.407 5.639 ( 0.278 0.000 4.030) 4.039 5.717 ( 0.513 0.000 2.879) 2.925 5.784 ( 4.378 0.000 1.984) 4.806 5.871 ( -3.593 -0.000 -8.025) 8.792 6.077 ( 8.922 0.000 13.813) 16.443 6.438 ( 0.779 0.000 -11.097) 11.124 6.441 ( -1.124 -0.000 -2.503) 2.743 6.535 ( -0.396 -0.000 4.071) 4.090 6.660 ( 3.416 0.000 3.799) 5.109 6.812 ( 3.493 0.000 -1.223) 3.701 6.846 ( -2.410 -0.000 4.069) 4.729 6.895 ( 3.295 0.000 1.175) 3.498 7.121 ( 0.519 0.000 -2.811) 2.859 7.342 ( -1.965 -0.000 -0.451) 2.016 7.373 ( -2.532 -0.000 0.727) 2.634 7.595 ( -1.387 -0.000 -1.339) 1.928 7.700 ( 7.312 0.000 4.599) 8.638 7.869 ( -3.170 -0.000 -0.006) 3.170 7.903 ( -3.841 -0.000 -0.637) 3.893 7.969 ( 4.420 0.000 -4.646) 6.413 8.071 ( 8.742 0.000 2.278) 9.034 8.898 ( -3.060 -0.000 -8.515) 9.048 9.042 ( 3.470 0.000 8.693) 9.360 9.272 ( 0.805 0.000 -4.672) 4.741 9.345 ( 4.959 0.000 2.960) 5.775 10.076 ( 0.694 0.000 0.646) 0.949 10.090 ( 0.785 0.000 -0.276) 0.832 10.540 ( 0.435 0.000 0.431) 0.613 10.567 ( 1.794 0.000 0.719) 1.932 11.990 ( -0.507 -0.000 1.167) 1.273 12.025 ( -0.127 -0.000 -2.260) 2.264 13.808 ( -5.129 -0.000 -5.424) 7.465 13.835 ( -2.470 -0.000 2.176) 3.292 13.985 ( -2.260 -0.000 -5.492) 5.939 14.054 ( 0.974 0.000 3.779) 3.903 14.138 ( -1.527 -0.000 7.569) 7.721 14.477 ( -0.287 -0.000 4.770) 4.778 14.553 ( 0.633 0.000 -4.377) 4.423 14.587 ( 10.812 0.000 -2.754) 11.157 15.414 ( -0.538 -0.000 3.972) 4.008 15.477 ( -0.134 -0.000 -3.285) 3.287 15.915 ( -3.482 -0.000 2.095) 4.064 15.961 ( -2.887 -0.000 -0.240) 2.897 16.144 ( -5.983 -0.000 -3.526) 6.945 16.362 ( 1.962 0.000 1.429) 2.427 16.640 ( 3.543 0.000 -0.141) 3.546 16.755 ( 5.455 0.000 -0.675) 5.497 17.340 ( 1.851 0.000 2.209) 2.882 17.342 ( 1.832 0.000 -1.653) 2.467 20.253 ( -2.357 -0.000 -0.493) 2.408 20.528 ( 6.512 0.000 0.910) 6.575 21.366 ( -1.408 -0.000 -0.620) 1.538 21.474 ( 1.372 0.000 0.445) 1.442 25.128 ( 3.109 0.000 3.708) 4.839 25.421 ( 16.589 0.000 -3.611) 16.978 27.792 ( 4.703 0.000 -0.347) 4.715 27.898 ( 7.703 0.000 0.406) 7.714 28.689 ( 0.905 0.000 0.083) 0.909 28.741 ( 2.183 0.000 -0.058) 2.184 29.257 ( 0.129 0.000 -0.443) 0.461 29.301 ( 0.862 0.000 0.393) 0.947 31.780 ( -2.233 -0.000 0.094) 2.235 31.789 ( -2.142 -0.000 -0.091) 2.144 33.161 ( -2.931 -0.000 0.488) 2.971 33.188 ( -3.119 -0.000 -1.409) 3.422 33.236 ( -1.392 -0.000 1.732) 2.222 33.284 ( -0.799 -0.000 -0.890) 1.196 33.516 ( -8.110 -0.000 0.574) 8.130 33.589 ( -8.908 -0.000 -0.616) 8.930 33.994 ( -2.539 -0.000 -0.678) 2.628 34.115 ( -3.410 -0.000 0.899) 3.527 36.101 ( -7.222 -0.000 0.606) 7.247 36.282 ( 0.340 0.000 -0.823) 0.890 ======================= Grid point 215 (94/102) ======================= q-point: (-0.27 -0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 5.034 1.945 -15.662) 16.566 1.251 ( 1.013 2.975 10.149) 10.625 1.631 ( -18.057 2.733 -2.780) 18.473 1.929 ( -14.640 -2.676 -10.475) 18.200 1.970 ( -9.474 -16.958 3.143) 19.678 2.041 ( -7.320 -11.400 -7.303) 15.391 2.227 ( -4.253 -0.810 10.645) 11.492 2.312 ( 3.187 -5.540 5.744) 8.593 2.376 ( -9.558 -7.977 -8.667) 15.169 2.560 ( -7.642 7.048 -0.580) 10.412 2.895 ( 1.333 -5.185 9.672) 11.055 2.917 ( -8.353 -4.811 4.287) 10.550 3.080 ( -4.577 6.155 0.950) 7.729 3.121 ( -11.680 5.364 -0.740) 12.874 3.224 ( 1.922 0.341 2.251) 2.980 3.294 ( 0.653 0.482 6.236) 6.289 3.358 ( 1.967 -0.825 -3.953) 4.492 3.489 ( 0.835 2.961 -2.614) 4.037 3.528 ( -8.506 1.020 -1.954) 8.787 3.670 ( -3.656 1.987 3.178) 5.236 3.770 ( -3.531 0.337 0.461) 3.577 3.798 ( 5.690 1.077 -0.028) 5.791 3.975 ( 5.737 4.166 -2.114) 7.399 4.030 ( -0.099 1.808 -8.072) 8.272 4.441 ( 7.955 7.799 -0.344) 11.146 4.574 ( -6.933 2.255 4.687) 8.667 4.752 ( -1.452 5.746 4.063) 7.186 4.800 ( 0.047 5.679 -0.247) 5.685 4.900 ( -5.451 1.213 -1.788) 5.864 4.974 ( -6.637 4.501 -4.452) 9.172 5.254 ( 3.729 -0.568 5.669) 6.810 5.437 ( -5.235 2.434 -7.055) 9.116 5.488 ( -4.155 -3.253 -0.747) 5.329 5.582 ( 1.833 1.248 -2.267) 3.171 5.651 ( 2.780 -3.210 3.383) 5.429 5.699 ( 4.680 -7.750 -2.603) 9.420 5.766 ( 1.044 -4.129 3.079) 5.255 5.814 ( 3.091 -0.466 1.259) 3.370 5.910 ( 4.283 -6.314 -1.546) 7.785 6.146 ( 7.473 1.926 4.796) 9.086 6.411 ( 1.359 0.579 -1.892) 2.401 6.460 ( -0.475 -0.999 -9.717) 9.779 6.557 ( -1.945 -4.316 2.788) 5.493 6.712 ( 0.929 -3.015 3.414) 4.649 6.818 ( 2.150 0.327 0.521) 2.237 6.907 ( 0.010 -2.823 0.864) 2.952 6.956 ( 4.381 -4.763 4.011) 7.614 7.159 ( 1.087 -2.764 -1.406) 3.286 7.259 ( -1.338 3.150 -1.273) 3.651 7.384 ( -1.333 -0.610 0.651) 1.604 7.571 ( -2.857 -0.107 -0.338) 2.879 7.728 ( 2.645 5.030 1.234) 5.815 7.817 ( -3.226 0.621 0.867) 3.397 7.872 ( -3.161 -0.653 -0.285) 3.240 7.970 ( 5.338 4.970 -2.083) 7.585 8.140 ( 8.272 2.306 -0.156) 8.589 8.867 ( -2.327 -0.534 -5.987) 6.445 9.075 ( 1.127 0.334 6.705) 6.807 9.294 ( 2.591 -1.501 -3.518) 4.620 9.406 ( 5.465 -0.924 2.016) 5.898 10.096 ( 1.590 -1.017 0.909) 2.095 10.108 ( 0.929 -1.269 0.150) 1.580 10.540 ( -0.128 0.211 -1.197) 1.222 10.585 ( 1.987 0.093 0.765) 2.132 11.986 ( -0.541 -0.006 1.286) 1.395 12.022 ( -0.016 -0.041 -1.534) 1.534 13.753 ( -4.172 0.273 -5.132) 6.619 13.815 ( -2.390 -0.191 2.010) 3.129 13.952 ( -2.113 0.793 -3.977) 4.573 14.062 ( -0.090 -0.064 1.734) 1.737 14.126 ( -1.138 0.883 7.376) 7.515 14.476 ( -0.367 0.519 5.301) 5.339 14.565 ( 1.130 -1.067 -3.844) 4.146 14.667 ( 10.911 2.423 -3.057) 11.587 15.403 ( -0.736 1.091 3.522) 3.760 15.454 ( -0.491 1.725 -2.722) 3.260 15.870 ( -4.399 0.987 0.368) 4.524 15.931 ( -3.412 -0.083 -0.518) 3.452 16.097 ( -4.429 -0.688 -0.308) 4.493 16.360 ( 0.736 2.265 1.283) 2.706 16.652 ( 4.036 2.841 -0.400) 4.952 16.802 ( 5.166 0.430 -2.338) 5.686 17.367 ( 2.412 -0.876 -0.900) 2.719 17.377 ( 2.734 -1.352 1.867) 3.576 20.237 ( -1.337 -0.095 0.609) 1.473 20.581 ( 6.203 1.026 0.232) 6.291 21.383 ( -0.662 -3.189 -0.709) 3.334 21.514 ( 1.463 -3.025 0.491) 3.396 25.147 ( 4.154 2.494 4.514) 6.622 25.547 ( 21.142 6.261 -4.187) 22.444 27.831 ( 6.088 1.477 -0.518) 6.286 27.960 ( 8.443 1.889 0.545) 8.668 28.701 ( 1.605 0.053 -0.085) 1.608 28.760 ( 2.774 0.538 0.143) 2.829 29.263 ( 0.446 -0.362 -0.651) 0.868 29.310 ( 0.686 -0.107 0.572) 0.900 31.779 ( -2.329 -2.595 -0.042) 3.487 31.790 ( -2.200 -2.676 0.035) 3.464 33.084 ( -5.169 5.031 0.044) 7.213 33.168 ( -3.265 -1.409 -0.316) 3.570 33.267 ( -3.020 -4.720 0.982) 5.689 33.316 ( -2.331 -4.112 -0.839) 4.801 33.407 ( -9.266 2.747 0.285) 9.669 33.504 ( -8.049 -1.166 -0.220) 8.136 34.018 ( -2.397 -6.408 -1.207) 6.947 34.116 ( -4.091 -4.930 1.478) 6.575 35.993 ( -9.182 3.549 0.543) 9.859 36.228 ( -0.801 6.185 -1.014) 6.318 ======================= Grid point 216 (95/102) ======================= q-point: (-0.18 -0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -7.603 2.174 -27.082) 28.213 1.236 ( -0.019 3.441 21.460) 21.734 1.432 ( -16.848 -0.977 0.114) 16.877 1.734 ( -16.875 5.286 -3.937) 18.116 2.054 ( -9.572 -2.019 1.090) 9.843 2.151 ( -8.367 -6.702 -7.770) 13.240 2.292 ( -5.051 -12.191 1.453) 13.275 2.420 ( -7.522 -8.361 -6.847) 13.167 2.489 ( -0.910 -9.296 2.884) 9.775 2.537 ( 0.415 -6.519 7.450) 9.909 2.846 ( -6.484 5.611 -1.849) 8.772 2.939 ( -8.442 -6.818 5.320) 12.085 2.964 ( -8.879 -2.879 4.000) 10.155 3.045 ( -7.047 -3.938 5.366) 9.693 3.244 ( 4.027 1.047 -4.076) 5.825 3.293 ( 4.595 1.863 0.222) 4.963 3.325 ( -9.605 3.189 -2.080) 10.332 3.384 ( 2.193 1.298 4.515) 5.185 3.441 ( -5.700 1.927 -1.399) 6.178 3.732 ( 1.204 -3.179 1.339) 3.654 3.737 ( 8.388 0.171 -0.667) 8.416 3.841 ( 4.814 11.192 -8.268) 14.724 3.928 ( 7.705 -1.654 1.011) 7.945 4.024 ( -0.773 -1.302 -0.225) 1.531 4.309 ( 6.999 14.346 0.195) 15.963 4.517 ( -4.872 0.599 7.328) 8.820 4.622 ( -8.301 1.958 4.155) 9.487 4.698 ( -5.585 2.932 -4.452) 7.721 4.736 ( -12.041 6.862 -7.005) 15.529 4.898 ( 2.870 1.290 0.621) 3.207 5.240 ( -1.089 6.088 3.971) 7.350 5.338 ( -4.563 -0.181 -6.661) 8.076 5.482 ( -1.140 2.854 7.414) 8.026 5.581 ( 3.751 0.993 0.106) 3.881 5.656 ( -4.274 3.229 -4.041) 6.710 5.723 ( 4.230 -0.195 1.597) 4.526 5.898 ( 6.675 -2.205 0.618) 7.057 6.031 ( 5.334 -10.214 -0.171) 11.524 6.070 ( 6.928 -4.539 3.029) 8.819 6.216 ( 4.864 -5.351 -4.102) 8.314 6.437 ( 4.927 0.260 -4.751) 6.850 6.482 ( 1.899 -4.159 -3.128) 5.540 6.644 ( -1.347 -6.595 2.566) 7.204 6.807 ( 1.123 -7.844 0.352) 7.931 6.863 ( 2.662 -2.589 0.357) 3.730 6.960 ( -2.828 -4.851 1.065) 5.715 7.042 ( 0.726 2.441 3.223) 4.108 7.164 ( 3.773 -1.393 2.767) 4.882 7.305 ( 0.823 -3.345 -2.764) 4.417 7.349 ( -0.512 2.666 0.916) 2.865 7.578 ( 0.258 -2.498 1.588) 2.971 7.598 ( -3.848 6.474 -2.262) 7.863 7.779 ( -5.310 0.656 -0.075) 5.351 7.841 ( -0.577 4.159 -2.282) 4.779 7.915 ( 4.632 5.877 3.075) 8.090 8.128 ( 4.333 5.403 -1.519) 7.090 8.865 ( -0.831 -1.476 -1.406) 2.201 9.062 ( -1.087 1.263 0.902) 1.895 9.362 ( 3.694 -2.909 -0.137) 4.704 9.474 ( 5.403 -0.570 0.641) 5.471 10.128 ( 0.958 -1.073 -1.793) 2.299 10.161 ( 2.907 -2.471 3.577) 5.230 10.526 ( -0.974 0.526 -3.140) 3.329 10.603 ( 1.921 -0.024 1.158) 2.243 11.983 ( -0.497 -0.046 1.212) 1.311 12.023 ( 0.233 -0.146 -0.654) 0.710 13.717 ( -2.068 -0.217 -3.601) 4.158 13.803 ( -1.313 -0.217 1.542) 2.036 13.910 ( -2.124 1.326 -2.610) 3.617 14.051 ( -1.329 0.847 0.152) 1.584 14.111 ( -0.499 0.854 6.152) 6.231 14.465 ( -0.238 1.391 6.923) 7.065 14.591 ( 2.760 0.144 -2.433) 3.682 14.706 ( 7.980 2.527 -6.268) 10.458 15.376 ( -1.064 1.156 2.151) 2.663 15.415 ( -0.673 1.483 -1.059) 1.943 15.809 ( -4.425 1.026 -0.691) 4.595 15.901 ( -3.330 -0.241 -0.796) 3.432 16.086 ( -2.435 -1.622 2.982) 4.177 16.303 ( -1.691 3.703 0.421) 4.093 16.621 ( 2.787 4.406 -0.387) 5.228 16.821 ( 4.217 2.291 -3.600) 5.999 17.409 ( 2.663 -1.246 -1.190) 3.172 17.435 ( 3.276 -1.680 2.467) 4.432 20.232 ( -0.457 -0.126 1.769) 1.832 20.606 ( 5.178 2.314 -0.741) 5.720 21.451 ( 0.194 -4.831 -0.517) 4.862 21.598 ( 2.183 -4.273 0.319) 4.808 25.128 ( 4.057 4.943 4.888) 8.049 25.574 ( 20.101 12.948 -4.438) 24.319 27.848 ( 5.957 3.182 -0.333) 6.762 27.987 ( 7.759 3.950 0.369) 8.715 28.713 ( 1.802 0.482 -0.126) 1.870 28.771 ( 2.641 1.348 0.181) 2.971 29.273 ( 0.546 -0.352 -0.715) 0.966 29.317 ( 0.420 0.010 0.630) 0.757 31.825 ( -1.343 -4.659 -0.076) 4.849 31.838 ( -1.128 -4.612 0.063) 4.749 32.928 ( -6.920 5.874 0.037) 9.077 33.123 ( -5.171 2.309 -0.047) 5.663 33.213 ( -10.153 5.568 0.065) 11.580 33.257 ( -8.715 -0.406 -0.067) 8.725 33.442 ( -2.662 -10.276 -0.396) 10.622 33.557 ( -1.492 -10.670 0.282) 10.778 34.163 ( -2.079 -11.567 1.158) 11.809 34.227 ( 2.196 -9.616 -0.732) 9.891 35.825 ( -10.293 4.937 0.188) 11.417 36.061 ( -3.859 10.200 -0.828) 10.937 ======================= Grid point 217 (96/102) ======================= q-point: (-0.09 -0.36 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -11.328 3.869 -20.468) 23.712 1.155 ( -8.385 -0.279 11.630) 14.340 1.444 ( -6.071 -10.336 10.168) 15.719 1.493 ( -8.592 5.996 -6.442) 12.300 1.972 ( -4.156 2.701 2.337) 5.480 2.148 ( -1.651 0.671 -6.109) 6.364 2.367 ( -5.150 -2.066 -4.874) 7.385 2.479 ( -7.019 -5.209 -4.972) 10.056 2.536 ( -5.800 -0.825 10.692) 12.192 2.627 ( -2.698 -6.770 2.391) 7.670 2.812 ( -2.292 0.903 5.594) 6.112 2.951 ( -7.806 -4.549 -3.617) 9.733 3.000 ( 0.226 -2.019 2.683) 3.365 3.103 ( -1.454 -8.888 -1.523) 9.134 3.175 ( 0.467 0.937 -2.711) 2.906 3.257 ( -3.593 -0.392 4.066) 5.440 3.324 ( -1.556 -1.028 -6.983) 7.228 3.436 ( 2.895 -5.726 0.612) 6.445 3.476 ( 3.287 -4.173 6.166) 8.139 3.630 ( -3.079 6.357 -1.373) 7.195 3.756 ( 2.852 1.704 -8.991) 9.585 3.836 ( 1.183 1.444 3.076) 3.598 4.047 ( 6.991 -1.441 2.492) 7.561 4.060 ( 0.832 -1.964 -2.955) 3.645 4.156 ( 4.095 6.432 5.370) 9.326 4.358 ( -8.945 5.421 2.176) 10.684 4.498 ( -13.851 3.899 -4.889) 15.197 4.587 ( -7.201 0.056 -2.075) 7.494 4.697 ( -1.442 -8.091 2.430) 8.570 4.880 ( 1.483 5.542 0.361) 5.748 5.101 ( -2.321 7.722 -0.336) 8.070 5.288 ( -4.575 3.477 -2.204) 6.155 5.415 ( 3.662 -0.929 1.658) 4.126 5.607 ( 2.726 3.741 -0.166) 4.632 5.623 ( 1.189 -4.221 6.255) 7.639 5.801 ( 0.416 -5.282 -1.481) 5.501 5.939 ( 5.345 2.509 -1.596) 6.116 6.132 ( 0.591 -2.061 -2.012) 2.940 6.196 ( 6.479 -0.740 6.357) 9.107 6.366 ( 6.015 -3.838 -7.614) 10.434 6.474 ( 1.065 -2.158 -2.144) 3.223 6.626 ( 4.220 -7.511 -2.423) 8.950 6.750 ( 2.819 -3.288 5.220) 6.783 6.900 ( -1.760 2.387 -3.254) 4.403 6.934 ( 2.850 0.194 1.765) 3.358 7.008 ( 2.180 -9.158 -2.542) 9.751 7.056 ( -1.070 -4.163 3.654) 5.641 7.170 ( -6.680 3.569 0.378) 7.583 7.254 ( 1.284 2.420 2.844) 3.949 7.414 ( 6.144 0.154 -1.206) 6.263 7.464 ( -2.684 0.969 1.645) 3.294 7.656 ( -7.608 5.366 -4.839) 10.492 7.677 ( 6.186 -3.028 -0.274) 6.893 7.751 ( -2.934 3.957 3.836) 6.244 7.836 ( -1.753 4.937 -2.442) 5.781 8.084 ( 3.671 3.468 0.997) 5.147 8.890 ( 0.315 -1.444 1.039) 1.807 9.031 ( -0.907 0.828 -2.580) 2.858 9.445 ( 3.043 -2.434 3.369) 5.151 9.523 ( 4.668 0.391 -1.026) 4.795 10.146 ( 0.574 -0.479 -2.416) 2.529 10.241 ( 4.042 -2.272 4.615) 6.542 10.494 ( -1.864 1.094 -4.568) 5.053 10.625 ( 1.512 -0.389 1.161) 1.946 11.982 ( -0.383 -0.115 1.005) 1.081 12.029 ( 0.376 -0.178 -0.156) 0.444 13.712 ( -0.222 -0.628 -2.205) 2.303 13.800 ( 0.037 0.244 0.651) 0.696 13.867 ( -1.708 1.144 -0.566) 2.132 14.016 ( -1.634 1.318 -0.035) 2.100 14.099 ( -0.625 0.706 3.744) 3.861 14.437 ( 0.143 3.015 8.257) 8.792 14.595 ( 2.805 2.072 -2.975) 4.584 14.719 ( 3.739 1.474 -8.093) 9.036 15.364 ( -0.421 -0.389 1.144) 1.280 15.405 ( 0.272 -0.943 0.392) 1.057 15.758 ( -3.234 0.434 -0.343) 3.281 15.877 ( -2.854 -0.418 -0.657) 2.959 16.108 ( -1.149 -2.228 4.113) 4.817 16.220 ( -3.159 2.926 -0.478) 4.332 16.562 ( 0.982 4.310 -0.161) 4.423 16.796 ( 2.665 3.781 -3.946) 6.080 17.448 ( 2.231 -0.619 -0.615) 2.396 17.493 ( 2.980 -1.104 1.835) 3.670 20.236 ( 0.117 -0.144 2.571) 2.577 20.596 ( 3.582 3.512 -1.757) 5.315 21.537 ( 0.594 -4.577 0.162) 4.618 21.683 ( 2.274 -2.868 -0.263) 3.669 25.071 ( 3.112 6.108 4.537) 8.220 25.480 ( 13.641 15.501 -4.318) 21.095 27.834 ( 4.556 4.240 0.211) 6.227 27.971 ( 5.774 5.436 -0.082) 7.931 28.717 ( 1.465 0.850 -0.099) 1.696 28.764 ( 1.746 1.768 0.127) 2.488 29.281 ( 0.465 -0.141 -0.594) 0.767 29.318 ( 0.140 0.215 0.526) 0.585 31.903 ( 0.014 -4.883 -0.055) 4.883 31.915 ( 0.228 -4.579 0.040) 4.585 32.782 ( -5.980 3.448 0.089) 6.903 33.014 ( -6.724 3.204 -0.170) 7.451 33.045 ( -8.167 3.004 0.062) 8.702 33.172 ( -8.304 -0.026 -0.010) 8.305 33.612 ( -1.688 -11.467 -0.568) 11.604 33.771 ( 0.472 -13.161 0.315) 13.174 34.333 ( 0.143 -9.112 3.008) 9.597 34.455 ( 6.156 -10.737 -2.384) 12.604 35.656 ( -9.456 3.322 -0.350) 10.029 35.839 ( -6.666 9.078 -0.226) 11.265 ======================= Grid point 226 (97/102) ======================= q-point: (-0.27 -0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -11.634 -0.000 -6.311) 13.236 1.249 ( 3.772 0.000 -5.869) 6.977 1.579 ( -14.196 -0.000 7.824) 16.209 1.599 ( -11.191 -0.000 -5.791) 12.601 1.802 ( -8.657 -0.000 -13.910) 16.384 1.832 ( -13.094 -0.000 3.991) 13.688 2.173 ( -11.572 -0.000 -11.469) 16.292 2.217 ( -1.652 -0.000 17.376) 17.454 2.328 ( 5.412 0.000 1.482) 5.611 2.582 ( -6.195 -0.000 -2.475) 6.671 2.665 ( -25.267 -0.000 7.005) 26.220 2.862 ( -4.395 -0.000 7.008) 8.272 3.004 ( -19.629 -0.000 -0.850) 19.647 3.014 ( -17.125 -0.000 -1.242) 17.170 3.267 ( 2.777 0.000 -1.539) 3.175 3.326 ( 2.008 0.000 7.607) 7.868 3.415 ( -9.910 -0.000 1.540) 10.029 3.421 ( 7.063 0.000 -3.237) 7.769 3.535 ( 4.009 0.000 -0.679) 4.066 3.609 ( -12.710 -0.000 -2.462) 12.946 3.711 ( -1.114 -0.000 3.179) 3.369 3.901 ( 10.978 0.000 1.725) 11.113 4.019 ( 5.407 0.000 -6.204) 8.229 4.079 ( 1.360 0.000 -5.622) 5.785 4.575 ( -3.866 -0.000 -1.198) 4.047 4.591 ( 9.185 0.000 0.714) 9.213 4.853 ( -3.137 -0.000 16.456) 16.753 4.854 ( 2.525 0.000 -6.990) 7.432 4.922 ( 5.365 0.000 1.223) 5.503 4.980 ( -2.426 -0.000 -9.819) 10.114 5.265 ( 0.915 0.000 5.749) 5.822 5.436 ( 1.749 0.000 -9.639) 9.796 5.494 ( 1.353 0.000 -0.745) 1.544 5.503 ( 1.198 0.000 3.719) 3.907 5.630 ( -0.512 -0.000 3.145) 3.187 5.641 ( 2.101 0.000 -3.660) 4.220 5.766 ( 3.522 0.000 1.433) 3.803 5.838 ( 0.524 0.000 -1.335) 1.435 5.881 ( 4.987 0.000 4.490) 6.711 6.254 ( 5.225 0.000 3.646) 6.371 6.395 ( -1.029 -0.000 -0.989) 1.427 6.431 ( 0.153 0.000 -10.281) 10.282 6.520 ( -1.359 -0.000 3.207) 3.483 6.703 ( 1.782 0.000 -0.087) 1.784 6.863 ( 2.596 0.000 2.775) 3.800 6.925 ( 6.598 0.000 4.598) 8.042 6.944 ( 1.703 0.000 -0.022) 1.703 7.084 ( -3.660 -0.000 -1.274) 3.875 7.305 ( -2.124 -0.000 0.389) 2.159 7.319 ( -3.401 -0.000 -0.647) 3.462 7.529 ( -5.768 -0.000 -0.360) 5.779 7.767 ( -9.360 -0.000 -3.900) 10.140 7.792 ( -5.048 -0.000 -0.346) 5.060 7.849 ( 6.446 0.000 5.063) 8.197 8.085 ( 8.394 0.000 -3.626) 9.144 8.252 ( 10.023 0.000 -0.061) 10.023 8.835 ( -1.552 -0.000 -6.400) 6.585 9.089 ( -1.202 -0.000 7.685) 7.778 9.311 ( 4.492 0.000 -2.142) 4.977 9.454 ( 5.971 0.000 1.309) 6.113 10.105 ( 0.920 0.000 -0.528) 1.061 10.105 ( 2.068 0.000 1.990) 2.870 10.537 ( -0.720 -0.000 -1.983) 2.110 10.604 ( 1.860 0.000 -0.043) 1.860 11.982 ( -0.593 -0.000 1.471) 1.586 12.020 ( 0.073 0.000 -1.112) 1.114 13.714 ( -3.063 -0.000 -3.870) 4.936 13.791 ( -2.518 -0.000 2.236) 3.367 13.936 ( -1.985 -0.000 -2.597) 3.269 14.059 ( -0.742 -0.000 0.916) 1.179 14.131 ( -1.235 -0.000 7.930) 8.025 14.484 ( -0.233 -0.000 4.861) 4.867 14.553 ( 0.749 0.000 -4.640) 4.700 14.799 ( 11.552 0.000 -2.418) 11.803 15.412 ( -0.642 -0.000 3.609) 3.666 15.464 ( -0.427 -0.000 -2.959) 2.990 15.831 ( -5.309 -0.000 -1.176) 5.438 15.893 ( -4.165 -0.000 -0.276) 4.174 16.057 ( -2.783 -0.000 2.460) 3.714 16.393 ( 0.887 0.000 0.968) 1.313 16.732 ( 6.300 0.000 -0.981) 6.376 16.843 ( 4.367 0.000 -4.441) 6.229 17.390 ( 2.832 0.000 3.528) 4.524 17.392 ( 4.126 0.000 -1.860) 4.526 20.232 ( -0.014 -0.000 3.178) 3.178 20.646 ( 5.817 0.000 -1.032) 5.908 21.352 ( 0.362 0.000 -0.358) 0.509 21.496 ( 0.788 0.000 0.128) 0.799 25.227 ( 6.060 0.000 7.948) 9.995 25.854 ( 31.816 0.000 -6.636) 32.500 27.912 ( 8.091 0.000 -0.774) 8.128 28.060 ( 8.815 0.000 0.751) 8.847 28.724 ( 3.094 0.000 -0.307) 3.109 28.801 ( 4.453 0.000 0.425) 4.474 29.264 ( 0.780 0.000 -0.801) 1.118 29.315 ( 0.519 0.000 0.686) 0.860 31.730 ( -2.918 -0.000 -0.061) 2.918 31.740 ( -2.957 -0.000 0.046) 2.957 33.092 ( -4.862 -0.000 0.918) 4.948 33.099 ( -6.249 -0.000 -1.231) 6.369 33.213 ( -1.426 -0.000 1.894) 2.371 33.257 ( -1.932 -0.000 -1.966) 2.757 33.353 ( -8.492 -0.000 0.314) 8.498 33.403 ( -9.932 -0.000 0.126) 9.932 33.922 ( -4.861 -0.000 -3.786) 6.162 33.990 ( -11.084 -0.000 4.161) 11.839 35.925 ( -11.989 -0.000 0.932) 12.025 36.282 ( 0.003 0.000 -2.357) 2.357 ======================= Grid point 227 (98/102) ======================= q-point: (-0.18 -0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -17.333 4.198 -18.264) 25.527 1.234 ( -10.854 -2.536 3.779) 11.769 1.376 ( -9.044 8.331 20.828) 24.187 1.593 ( -16.032 0.033 -16.073) 22.702 1.738 ( -11.476 -14.687 -2.683) 18.831 1.915 ( -3.738 -13.071 -2.155) 13.765 2.145 ( -7.693 -7.902 -6.218) 12.661 2.204 ( -5.674 -1.234 5.736) 8.163 2.402 ( -4.097 -3.304 1.637) 5.512 2.441 ( -7.073 -2.744 6.435) 9.948 2.585 ( -20.053 -8.766 2.003) 21.977 2.772 ( -13.615 -0.828 -3.440) 14.067 2.847 ( -19.748 -4.262 1.735) 20.277 2.867 ( -12.417 -1.209 8.025) 14.834 3.235 ( -5.656 -0.023 -4.037) 6.949 3.333 ( 0.176 1.178 -1.262) 1.735 3.386 ( 4.625 0.436 5.763) 7.402 3.406 ( -6.823 1.785 -9.136) 11.542 3.474 ( 5.219 5.317 0.954) 7.511 3.674 ( 3.181 -5.502 4.860) 8.001 3.747 ( 1.400 -3.253 0.251) 3.550 3.958 ( 6.533 4.567 -0.215) 7.974 4.027 ( 3.851 1.348 -8.943) 9.830 4.111 ( 7.128 1.942 0.574) 7.410 4.493 ( -3.660 2.581 2.914) 5.343 4.585 ( -2.818 5.276 1.363) 6.135 4.725 ( 7.160 15.518 10.385) 19.998 4.793 ( 1.560 11.150 -4.320) 12.059 4.841 ( -0.074 12.526 -9.207) 15.545 4.946 ( 4.589 0.542 0.270) 4.628 5.294 ( -4.629 3.260 6.196) 8.393 5.321 ( -0.841 2.151 -2.260) 3.231 5.457 ( 1.136 -1.538 -0.582) 1.998 5.621 ( 2.002 1.302 -0.823) 2.526 5.680 ( 0.859 -0.672 -0.828) 1.369 5.804 ( 3.692 0.268 5.282) 6.450 5.854 ( 10.397 -15.106 -0.039) 18.338 5.891 ( 3.851 -6.065 -1.839) 7.416 6.018 ( 6.450 -7.573 2.713) 10.311 6.241 ( 1.745 1.158 -6.964) 7.272 6.436 ( 2.485 -3.229 -0.366) 4.091 6.480 ( 2.316 -3.667 -2.640) 5.078 6.523 ( -0.808 -2.150 1.916) 2.991 6.711 ( -0.005 -1.518 2.051) 2.552 6.857 ( 0.769 1.487 -1.242) 2.084 6.876 ( -2.148 0.398 -0.195) 2.193 7.082 ( 5.353 -4.464 6.980) 9.864 7.150 ( -1.743 -3.960 -0.358) 4.341 7.239 ( -0.754 -1.673 -1.956) 2.682 7.346 ( -3.169 -1.710 0.614) 3.653 7.483 ( -6.578 -3.808 1.148) 7.687 7.633 ( -9.117 3.836 -4.967) 11.068 7.725 ( -6.840 0.876 -0.810) 6.943 7.907 ( 4.553 1.275 3.069) 5.637 8.097 ( 7.440 6.926 -2.296) 10.421 8.288 ( 7.741 6.378 -1.928) 10.213 8.833 ( 0.063 -1.443 -2.315) 2.728 9.064 ( -3.199 0.893 3.380) 4.739 9.368 ( 5.246 -1.210 0.403) 5.399 9.518 ( 5.948 -0.641 0.237) 5.987 10.119 ( 0.906 -0.689 -0.903) 1.453 10.152 ( 3.174 -2.332 2.956) 4.924 10.518 ( -1.650 0.488 -3.353) 3.769 10.621 ( 1.565 -0.098 -0.057) 1.569 11.979 ( -0.538 -0.053 1.500) 1.594 12.022 ( 0.261 -0.161 -0.543) 0.624 13.694 ( -0.817 -0.308 -1.330) 1.591 13.782 ( -1.439 -0.975 1.972) 2.628 13.909 ( -1.783 0.890 -0.882) 2.179 14.048 ( -1.364 0.339 -0.087) 1.408 14.125 ( -0.769 0.571 8.172) 8.228 14.481 ( -0.303 0.574 5.027) 5.068 14.577 ( 1.218 -2.134 -3.718) 4.456 14.861 ( 10.155 4.276 -4.715) 11.985 15.395 ( -0.866 1.518 2.861) 3.353 15.438 ( -0.624 1.816 -2.066) 2.821 15.775 ( -4.925 0.462 -1.332) 5.123 15.857 ( -4.161 -0.522 -0.443) 4.217 16.051 ( -1.361 -0.924 4.697) 4.977 16.357 ( -1.501 4.215 -0.352) 4.488 16.743 ( 5.690 5.066 -1.035) 7.689 16.878 ( 3.950 0.410 -5.988) 7.185 17.425 ( 3.602 -0.364 1.445) 3.898 17.448 ( 4.620 -1.271 0.912) 4.878 20.241 ( 1.240 0.352 5.864) 6.004 20.684 ( 4.821 1.355 -2.342) 5.528 21.389 ( 1.603 -3.053 -0.072) 3.449 21.542 ( 1.538 -4.172 -0.287) 4.456 25.268 ( 7.127 3.977 11.653) 14.227 26.062 ( 35.856 13.719 -8.826) 39.393 27.968 ( 8.326 2.727 -0.645) 8.785 28.120 ( 7.854 2.383 0.627) 8.231 28.752 ( 4.048 0.917 -0.369) 4.167 28.835 ( 5.169 1.736 0.483) 5.474 29.274 ( 0.883 -0.230 -0.821) 1.228 29.321 ( 0.287 -0.056 0.700) 0.758 31.735 ( -2.187 -3.643 -0.091) 4.250 31.748 ( -2.136 -3.922 0.075) 4.467 32.968 ( -7.109 5.916 -0.146) 9.250 33.072 ( -7.511 -1.328 0.427) 7.640 33.174 ( -7.395 1.245 -0.418) 7.511 33.217 ( -7.604 4.189 0.038) 8.681 33.283 ( -3.430 -3.730 0.180) 5.070 33.377 ( -4.924 -6.820 -0.487) 8.426 33.923 ( -9.000 -10.318 2.426) 13.905 34.034 ( -3.183 -12.791 -1.414) 13.256 35.777 ( -14.065 2.678 0.828) 14.342 36.194 ( -2.703 8.874 -3.486) 9.910 ======================= Grid point 228 (99/102) ======================= q-point: (-0.09 -0.27 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -18.248 4.188 -24.244) 30.632 1.143 ( -11.443 -0.305 13.815) 17.941 1.254 ( -7.863 -3.852 16.315) 18.516 1.439 ( -12.030 -0.729 -2.344) 12.278 1.854 ( -8.570 -9.251 -7.473) 14.659 2.076 ( -1.235 -5.435 -9.929) 11.386 2.216 ( -5.999 -7.967 -2.994) 10.413 2.257 ( -6.745 -11.760 -5.268) 14.545 2.378 ( -13.636 -5.040 14.246) 20.354 2.484 ( -8.424 -10.234 1.194) 13.309 2.604 ( -14.593 -11.405 0.308) 18.524 2.755 ( -12.730 -2.838 3.784) 13.580 2.785 ( -12.905 -14.647 6.818) 20.677 2.929 ( 0.249 -13.537 -0.771) 13.562 3.173 ( -4.147 1.356 -0.194) 4.368 3.277 ( -5.315 1.516 -8.551) 10.182 3.340 ( 5.164 4.960 -5.315) 8.917 3.437 ( 5.463 -0.750 3.467) 6.514 3.506 ( 9.533 0.452 1.685) 9.691 3.688 ( -1.776 3.045 1.134) 3.703 3.797 ( -3.093 2.667 -12.861) 13.494 3.912 ( 4.946 1.519 4.014) 6.548 4.045 ( 3.210 0.713 0.048) 3.289 4.115 ( 4.611 4.497 2.653) 6.966 4.385 ( -7.924 7.675 2.810) 11.384 4.458 ( -1.244 11.681 8.588) 14.552 4.560 ( 5.657 7.712 -1.540) 9.687 4.580 ( -2.541 9.047 -0.701) 9.423 4.604 ( 0.736 8.982 -4.014) 9.865 4.958 ( 1.783 2.556 -1.123) 3.312 5.176 ( -3.866 4.108 0.592) 5.672 5.323 ( 2.682 1.167 -0.098) 2.926 5.498 ( 1.513 2.852 5.229) 6.145 5.559 ( -4.077 2.702 -2.969) 5.722 5.670 ( 4.827 -0.108 -0.803) 4.894 5.821 ( 3.966 2.436 4.391) 6.398 5.964 ( 1.904 -2.551 -3.576) 4.788 6.160 ( 8.430 -3.122 0.181) 8.992 6.222 ( 7.994 -5.409 3.484) 10.262 6.283 ( 2.713 -7.476 -2.542) 8.349 6.512 ( 3.383 1.696 -2.534) 4.554 6.546 ( 3.339 -5.098 -4.152) 7.374 6.645 ( 1.951 -8.613 4.092) 9.733 6.835 ( 1.782 -11.493 -1.552) 11.733 6.881 ( -5.686 -6.340 1.914) 8.729 6.887 ( 1.522 -1.209 -2.334) 3.037 7.062 ( 0.240 4.076 1.150) 4.242 7.166 ( -6.350 1.648 1.546) 6.740 7.299 ( -0.547 1.077 0.870) 1.489 7.370 ( 0.931 -8.672 5.562) 10.344 7.471 ( -4.974 3.046 -4.906) 7.621 7.559 ( -6.990 -3.573 -0.515) 7.867 7.665 ( -2.961 -3.129 -0.205) 4.313 7.872 ( 3.049 6.795 -2.292) 7.792 7.977 ( 0.985 11.927 -4.252) 12.700 8.215 ( 5.842 7.166 2.231) 9.511 8.872 ( 1.428 -1.738 0.722) 2.362 9.025 ( -2.186 0.375 -2.253) 3.161 9.444 ( 4.412 -1.878 3.221) 5.776 9.578 ( 5.406 0.161 -0.186) 5.412 10.139 ( 0.764 -0.768 -1.392) 1.764 10.243 ( 4.539 -3.152 3.381) 6.478 10.483 ( -2.662 0.721 -3.951) 4.818 10.635 ( 1.152 -0.108 0.189) 1.172 11.978 ( -0.342 -0.096 1.385) 1.430 12.028 ( 0.322 -0.242 -0.362) 0.542 13.702 ( 0.804 -0.527 -0.257) 0.995 13.799 ( 0.467 -0.822 0.724) 1.190 13.877 ( -0.665 1.250 2.074) 2.512 14.020 ( -1.719 1.062 -0.265) 2.038 14.115 ( -0.307 1.151 6.835) 6.938 14.471 ( -0.556 1.022 5.862) 5.977 14.619 ( 0.953 -1.057 -2.021) 2.472 14.836 ( 6.953 6.783 -9.526) 13.605 15.366 ( -0.217 0.842 1.560) 1.786 15.406 ( 0.045 0.787 0.063) 0.791 15.730 ( -3.394 0.017 -0.186) 3.399 15.833 ( -3.634 -0.948 -0.586) 3.801 16.070 ( -0.827 -1.718 5.115) 5.459 16.243 ( -4.778 4.505 -1.335) 6.701 16.677 ( 3.089 7.080 -0.082) 7.725 16.872 ( 2.522 2.968 -6.870) 7.897 17.466 ( 3.266 -0.302 1.348) 3.547 17.512 ( 4.283 -0.814 1.169) 4.514 20.254 ( 1.749 0.771 7.260) 7.508 20.682 ( 3.351 2.987 -3.789) 5.875 21.472 ( 2.049 -4.273 0.703) 4.791 21.645 ( 3.002 -4.535 -1.218) 5.574 25.247 ( 6.719 7.952 13.364) 16.940 26.005 ( 26.709 25.848 -11.011) 38.765 27.970 ( 6.637 5.221 0.500) 8.459 28.122 ( 6.116 5.168 -0.099) 8.007 28.762 ( 3.403 1.996 -0.072) 3.946 28.833 ( 3.867 3.406 0.116) 5.155 29.284 ( 0.700 -0.126 -0.577) 0.916 29.323 ( 0.066 0.112 0.497) 0.514 31.810 ( -0.123 -5.933 0.115) 5.936 31.826 ( 0.082 -5.967 -0.130) 5.969 32.794 ( -7.049 5.366 -0.038) 8.860 32.986 ( -9.076 1.403 0.165) 9.185 33.020 ( -10.321 5.492 -0.055) 11.691 33.079 ( -9.914 -0.322 -0.070) 9.919 33.396 ( -2.024 -11.126 -0.377) 11.315 33.539 ( -0.690 -13.662 -0.666) 13.696 34.111 ( -3.586 -16.103 7.073) 17.949 34.301 ( 6.609 -15.030 -5.226) 17.231 35.597 ( -13.708 2.408 -0.108) 13.919 35.942 ( -9.188 12.176 -2.610) 15.475 ======================= Grid point 238 (100/102) ======================= q-point: (-0.18 -0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -20.440 -0.000 -11.335) 23.372 1.035 ( -22.044 -0.000 7.424) 23.260 1.340 ( -17.431 -0.000 22.720) 28.637 1.476 ( -15.838 -0.000 -17.389) 23.520 1.609 ( -12.030 -0.000 -10.286) 15.828 1.653 ( 4.922 0.000 1.777) 5.233 1.981 ( -9.394 -0.000 -4.422) 10.383 2.112 ( -30.158 -0.000 5.163) 30.597 2.150 ( -13.052 -0.000 7.038) 14.829 2.355 ( -8.100 -0.000 1.749) 8.286 2.435 ( -12.282 -0.000 1.389) 12.360 2.637 ( -7.244 -0.000 -0.565) 7.266 2.650 ( -12.749 -0.000 -1.820) 12.878 2.702 ( -17.266 -0.000 -0.647) 17.278 3.204 ( -0.017 -0.000 1.926) 1.926 3.293 ( -6.493 -0.000 -12.004) 13.648 3.401 ( 3.040 0.000 -3.908) 4.951 3.426 ( 2.625 0.000 4.362) 5.091 3.604 ( 2.956 0.000 4.719) 5.568 3.608 ( 2.573 0.000 -1.109) 2.802 3.750 ( 3.541 0.000 4.256) 5.537 4.069 ( 6.461 0.000 -5.571) 8.531 4.075 ( 0.412 0.000 -0.137) 0.435 4.150 ( 5.404 0.000 3.371) 6.369 4.485 ( -4.516 -0.000 0.806) 4.587 4.622 ( -2.400 -0.000 3.410) 4.170 4.884 ( 2.120 0.000 -6.962) 7.278 4.998 ( 11.080 0.000 6.244) 12.719 5.020 ( 8.901 0.000 -4.856) 10.140 5.044 ( 7.354 0.000 2.153) 7.663 5.288 ( -2.005 -0.000 11.631) 11.803 5.414 ( 0.652 0.000 -12.549) 12.566 5.552 ( 2.529 0.000 6.932) 7.379 5.592 ( 5.957 0.000 -1.021) 6.044 5.655 ( 2.259 0.000 1.934) 2.974 5.718 ( 8.390 0.000 -3.351) 9.034 5.859 ( 5.949 0.000 2.421) 6.423 5.873 ( 4.089 0.000 -0.876) 4.182 5.982 ( 4.184 0.000 4.687) 6.283 6.201 ( -6.281 -0.000 -12.664) 14.136 6.386 ( -1.770 -0.000 -7.625) 7.828 6.456 ( 3.051 0.000 7.362) 7.969 6.552 ( 4.518 0.000 5.801) 7.353 6.754 ( 3.150 0.000 -2.353) 3.931 6.897 ( -0.352 -0.000 -0.514) 0.623 6.945 ( -7.223 -0.000 -0.376) 7.232 6.973 ( 2.415 0.000 -2.824) 3.716 7.064 ( 1.208 0.000 8.845) 8.927 7.230 ( -6.330 -0.000 -1.108) 6.427 7.258 ( -3.508 -0.000 3.132) 4.703 7.372 ( -10.765 -0.000 0.437) 10.774 7.550 ( -10.165 -0.000 -9.816) 14.131 7.680 ( -6.760 -0.000 0.061) 6.761 7.968 ( 4.490 0.000 4.560) 6.400 8.230 ( 7.026 0.000 -6.666) 9.685 8.440 ( 10.349 0.000 -3.587) 10.953 8.821 ( 1.311 0.000 -0.169) 1.322 9.035 ( -5.424 -0.000 4.527) 7.065 9.414 ( 5.699 0.000 1.667) 5.938 9.565 ( 5.547 0.000 -1.293) 5.696 10.121 ( 0.958 0.000 -0.422) 1.047 10.158 ( 2.750 0.000 2.497) 3.714 10.502 ( -2.180 -0.000 -4.186) 4.719 10.628 ( 0.691 0.000 -1.034) 1.243 11.975 ( -0.537 -0.000 1.604) 1.692 12.023 ( 0.359 0.000 -0.303) 0.470 13.698 ( 2.018 0.000 2.944) 3.570 13.756 ( -1.670 -0.000 2.051) 2.645 13.904 ( -0.832 -0.000 2.025) 2.190 14.038 ( -1.380 -0.000 -0.302) 1.413 14.138 ( 0.408 0.000 11.988) 11.995 14.492 ( -0.050 -0.000 5.091) 5.091 14.559 ( 1.043 0.000 -4.479) 4.599 14.991 ( 9.655 0.000 -4.306) 10.572 15.406 ( -0.741 -0.000 2.807) 2.904 15.448 ( -0.615 -0.000 -2.358) 2.436 15.733 ( -4.263 -0.000 -1.051) 4.390 15.811 ( -4.250 -0.000 -0.331) 4.263 16.040 ( -0.679 -0.000 5.359) 5.402 16.389 ( -1.594 -0.000 -3.294) 3.659 16.868 ( 8.379 0.000 -1.676) 8.545 16.898 ( 3.176 0.000 -6.622) 7.344 17.463 ( 3.897 0.000 5.674) 6.883 17.487 ( 6.283 0.000 -2.146) 6.640 20.282 ( 4.180 0.000 11.706) 12.430 20.734 ( 4.093 0.000 -3.236) 5.218 21.387 ( 3.525 0.000 0.213) 3.531 21.503 ( 0.088 0.000 -1.003) 1.007 25.414 ( 11.904 0.000 22.892) 25.802 26.612 ( 51.573 0.000 -11.299) 52.796 28.079 ( 9.428 0.000 -1.473) 9.543 28.205 ( 5.963 0.000 0.944) 6.038 28.815 ( 7.089 0.000 -0.924) 7.149 28.914 ( 7.233 0.000 0.964) 7.297 29.280 ( 1.029 0.000 -0.837) 1.327 29.322 ( 0.048 0.000 0.690) 0.691 31.676 ( -2.703 -0.000 -0.173) 2.709 31.684 ( -2.889 -0.000 0.155) 2.893 32.948 ( -9.007 -0.000 -0.946) 9.057 32.973 ( -8.131 -0.000 1.219) 8.222 33.179 ( -5.549 -0.000 -2.595) 6.126 33.194 ( -1.102 -0.000 2.179) 2.442 33.248 ( -2.913 -0.000 -0.038) 2.913 33.250 ( -5.996 -0.000 -0.152) 5.998 33.699 ( -21.760 -0.000 9.015) 23.554 33.790 ( -7.864 -0.000 -8.431) 11.529 35.653 ( -16.995 -0.000 1.181) 17.036 36.260 ( -1.951 -0.000 -9.202) 9.406 ======================= Grid point 239 (101/102) ======================= q-point: (-0.09 -0.18 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -10.971 0.721 -1.288) 11.070 0.929 ( -19.209 -6.919 14.511) 25.049 1.188 ( -12.231 3.295 4.631) 13.486 1.244 ( -18.869 -4.643 7.047) 20.670 1.617 ( -4.157 -5.869 -16.559) 18.054 1.732 ( -25.137 -19.236 -1.582) 31.692 1.957 ( -19.335 -16.090 -1.169) 25.181 2.032 ( -7.652 -4.804 -6.329) 11.031 2.086 ( -10.873 -9.071 6.303) 15.499 2.184 ( -17.223 -0.133 11.461) 20.688 2.389 ( -15.320 -8.518 2.026) 17.645 2.550 ( -4.055 1.940 -0.821) 4.569 2.611 ( -6.445 -2.484 -6.146) 9.245 2.711 ( 1.055 -10.564 -3.200) 11.088 3.181 ( -1.227 2.141 -0.574) 2.533 3.247 ( -1.244 -0.054 -8.065) 8.161 3.412 ( 3.448 1.187 -7.029) 7.919 3.466 ( 2.239 -0.837 6.342) 6.777 3.611 ( 7.498 -0.270 -0.849) 7.550 3.703 ( -0.236 -4.093 0.950) 4.209 3.769 ( 1.357 1.355 3.323) 3.837 4.006 ( 0.300 6.217 2.881) 6.859 4.112 ( 4.132 1.728 -4.141) 6.100 4.190 ( 1.575 1.708 4.076) 4.691 4.412 ( -6.233 3.192 4.446) 8.295 4.521 ( -1.541 6.959 2.966) 7.720 4.827 ( 4.991 12.084 0.820) 13.100 4.884 ( 5.915 17.667 -1.794) 18.717 4.985 ( 10.764 15.998 1.956) 19.381 5.055 ( 5.014 8.485 -0.383) 9.863 5.184 ( -4.991 3.147 0.729) 5.945 5.355 ( 1.693 0.530 0.198) 1.785 5.510 ( 3.577 0.852 3.642) 5.176 5.642 ( 1.475 3.907 1.185) 4.341 5.734 ( 5.072 -0.672 -3.274) 6.074 5.873 ( 1.941 0.728 1.979) 2.866 5.931 ( 1.426 -2.802 -5.295) 6.158 6.067 ( 10.336 -14.102 0.559) 17.494 6.153 ( 6.790 -9.370 0.537) 11.584 6.214 ( -0.044 -7.390 -6.822) 10.058 6.436 ( -0.904 -6.785 -5.201) 8.597 6.539 ( 0.289 0.951 3.566) 3.702 6.566 ( 5.663 -7.844 8.076) 12.602 6.720 ( -0.222 -0.885 1.761) 1.983 6.810 ( -3.858 4.652 1.599) 6.252 6.908 ( 5.548 -0.565 -6.466) 8.539 7.073 ( -5.983 -1.429 0.248) 6.156 7.109 ( -4.084 -1.537 0.732) 4.425 7.194 ( -7.451 -7.268 4.919) 11.513 7.271 ( -5.556 -1.745 -0.607) 5.855 7.352 ( -3.849 -10.398 0.814) 11.117 7.472 ( -4.639 -1.095 -7.266) 8.690 7.591 ( -6.860 1.524 0.504) 7.045 7.972 ( 0.126 3.435 -5.680) 6.640 8.185 ( 2.908 9.385 -2.633) 10.172 8.437 ( 8.402 9.419 -2.009) 12.781 8.862 ( 2.591 -1.593 1.783) 3.525 8.993 ( -4.016 -0.646 -0.770) 4.140 9.473 ( 5.014 -0.750 4.112) 6.527 9.620 ( 4.826 -0.775 -1.736) 5.187 10.134 ( 0.813 -0.487 -0.436) 1.043 10.221 ( 2.907 -3.684 1.288) 4.866 10.466 ( -2.690 0.759 -2.899) 4.027 10.636 ( 0.093 -0.561 -1.335) 1.451 11.975 ( -0.287 -0.181 1.529) 1.566 12.027 ( 0.255 -0.135 -0.485) 0.565 13.714 ( 1.693 0.607 2.108) 2.771 13.780 ( 0.769 -2.052 0.630) 2.280 13.905 ( 2.173 0.801 6.378) 6.786 14.019 ( -1.444 0.629 -0.420) 1.630 14.162 ( 3.918 1.883 16.319) 16.888 14.489 ( -0.143 0.878 4.992) 5.071 14.594 ( 1.447 -2.482 -2.408) 3.748 15.014 ( 7.387 6.350 -6.299) 11.600 15.387 ( -0.448 1.442 2.045) 2.542 15.425 ( -0.290 1.278 -1.052) 1.681 15.699 ( -2.769 -0.100 0.041) 2.771 15.781 ( -3.668 -0.853 -0.501) 3.800 16.047 ( -0.844 -0.832 4.761) 4.906 16.283 ( -6.378 6.552 -4.576) 10.225 16.849 ( 5.397 7.525 -1.651) 9.406 16.930 ( 3.593 1.969 -6.452) 7.643 17.504 ( 3.996 0.460 5.175) 6.554 17.550 ( 5.842 -0.311 -0.986) 5.933 20.326 ( 5.709 2.789 15.228) 16.501 20.749 ( 3.079 1.907 -4.048) 5.432 21.443 ( 3.758 -2.247 0.561) 4.414 21.577 ( 2.875 -6.530 -2.368) 7.517 25.516 ( 16.703 9.139 33.384) 38.432 26.831 ( 46.930 30.690 -14.808) 57.997 28.121 ( 7.464 4.251 -0.561) 8.608 28.238 ( 4.478 2.195 0.428) 5.005 28.856 ( 7.096 3.451 -0.704) 7.922 28.948 ( 6.129 3.916 0.617) 7.299 29.289 ( 0.848 -0.033 -0.527) 0.999 29.324 ( -0.071 -0.066 0.421) 0.432 31.706 ( -0.638 -5.543 -0.097) 5.580 31.718 ( -0.827 -6.068 0.096) 6.125 32.827 ( -7.373 5.239 -0.357) 9.052 32.902 ( -9.627 -0.452 0.808) 9.672 32.997 ( -11.683 5.250 -0.208) 12.811 33.062 ( -10.277 10.778 -0.245) 14.895 33.225 ( -2.733 -5.354 -0.406) 6.025 33.310 ( -2.582 -10.505 -1.083) 10.872 33.721 ( -11.799 -22.662 10.765) 27.725 34.019 ( 3.585 -24.090 -9.947) 26.308 35.481 ( -16.643 0.892 -0.016) 16.667 36.065 ( -11.774 13.755 -11.498) 21.449 ======================= Grid point 250 (102/102) ======================= q-point: (-0.09 -0.09 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -3.849 -0.000 15.730) 16.194 0.638 ( -20.369 -0.000 15.605) 25.659 1.055 ( -19.263 -0.000 11.729) 22.552 1.057 ( -21.067 -0.000 -11.126) 23.824 1.225 ( -32.149 -0.000 28.985) 43.286 1.453 ( -18.014 -0.000 -15.241) 23.596 1.660 ( -6.094 -0.000 -13.683) 14.979 1.853 ( -23.167 -0.000 6.087) 23.953 1.930 ( -9.047 -0.000 -7.075) 11.485 2.120 ( -6.615 -0.000 -0.236) 6.619 2.149 ( -5.382 -0.000 13.279) 14.329 2.532 ( -3.533 -0.000 -10.966) 11.521 2.591 ( 0.151 0.000 -4.263) 4.265 2.606 ( 0.685 0.000 -7.677) 7.708 3.198 ( -3.138 -0.000 3.282) 4.541 3.246 ( 6.976 0.000 -6.861) 9.784 3.459 ( 3.948 0.000 -3.855) 5.518 3.473 ( 1.956 0.000 5.248) 5.601 3.626 ( -0.796 -0.000 6.401) 6.450 3.688 ( 7.833 0.000 -5.158) 9.378 3.828 ( 4.079 0.000 10.514) 11.277 4.082 ( 1.323 0.000 2.732) 3.036 4.125 ( 0.684 0.000 1.022) 1.230 4.264 ( 6.061 0.000 0.861) 6.122 4.424 ( -3.970 -0.000 8.990) 9.827 4.587 ( -2.576 -0.000 0.171) 2.582 4.939 ( 3.418 0.000 6.293) 7.161 5.143 ( 2.074 0.000 -0.988) 2.297 5.161 ( -1.814 -0.000 0.470) 1.874 5.201 ( 8.079 0.000 -0.383) 8.088 5.234 ( 1.409 0.000 4.390) 4.611 5.382 ( -2.541 -0.000 -10.534) 10.836 5.626 ( 1.982 0.000 4.773) 5.168 5.706 ( 5.938 0.000 -0.611) 5.969 5.706 ( 4.805 0.000 0.616) 4.845 5.910 ( 6.891 0.000 -9.485) 11.724 5.970 ( 5.484 0.000 3.551) 6.534 6.015 ( 1.436 0.000 -3.553) 3.832 6.020 ( 9.800 0.000 -0.366) 9.807 6.091 ( 0.647 0.000 -4.805) 4.848 6.374 ( 2.859 0.000 -5.396) 6.107 6.516 ( 1.869 0.000 6.878) 7.127 6.684 ( 6.197 0.000 6.444) 8.940 6.758 ( -2.613 -0.000 -3.165) 4.105 6.768 ( -9.898 -0.000 -0.905) 9.939 6.863 ( -2.245 -0.000 -2.150) 3.108 6.995 ( -10.611 -0.000 8.903) 13.851 7.019 ( 1.878 0.000 -3.224) 3.731 7.085 ( -7.698 -0.000 -1.377) 7.820 7.138 ( -11.328 -0.000 2.062) 11.515 7.215 ( -1.822 -0.000 2.152) 2.819 7.432 ( 0.433 0.000 -10.083) 10.092 7.552 ( -6.304 -0.000 1.075) 6.395 7.953 ( -10.261 -0.000 -17.170) 20.002 8.305 ( 3.740 0.000 3.746) 5.293 8.602 ( 7.066 0.000 -6.609) 9.675 8.879 ( 2.624 0.000 4.426) 5.146 8.938 ( -4.224 -0.000 0.346) 4.238 9.508 ( 3.184 0.000 4.158) 5.237 9.645 ( 3.389 0.000 -4.090) 5.312 10.138 ( 0.804 0.000 0.068) 0.807 10.197 ( 0.168 0.000 -1.093) 1.106 10.449 ( -1.763 -0.000 -0.927) 1.992 10.620 ( -1.166 -0.000 -2.596) 2.846 11.972 ( -0.209 -0.000 1.706) 1.718 12.026 ( -0.080 -0.000 -1.049) 1.052 13.739 ( -0.649 -0.000 1.760) 1.876 13.766 ( 1.992 0.000 -0.395) 2.031 13.952 ( 3.705 0.000 5.451) 6.591 14.013 ( -0.986 -0.000 -0.518) 1.114 14.345 ( 22.716 0.000 33.149) 40.186 14.522 ( 5.395 0.000 11.570) 12.766 14.569 ( 0.983 0.000 -4.342) 4.452 15.139 ( 6.429 0.000 -0.835) 6.483 15.398 ( -0.607 -0.000 1.932) 2.025 15.432 ( -0.509 -0.000 -1.646) 1.723 15.677 ( -1.636 -0.000 0.525) 1.718 15.741 ( -2.975 -0.000 -0.676) 3.051 16.034 ( -1.301 -0.000 3.038) 3.305 16.281 ( -9.503 -0.000 -12.236) 15.493 16.956 ( 4.747 0.000 -1.569) 5.000 17.019 ( 7.121 0.000 -1.782) 7.340 17.571 ( 6.364 0.000 6.662) 9.213 17.603 ( 6.027 0.000 -1.781) 6.285 20.503 ( 17.500 0.000 22.927) 28.843 20.794 ( 3.140 0.000 -2.059) 3.755 21.473 ( 4.798 0.000 -0.173) 4.801 21.497 ( -0.082 -0.000 -1.614) 1.616 26.022 ( 58.303 0.000 70.493) 91.480 27.670 ( 57.095 0.000 -5.115) 57.324 28.236 ( 7.408 0.000 -2.157) 7.715 28.280 ( 1.820 0.000 0.741) 1.965 28.986 ( 10.446 0.000 -1.846) 10.608 29.046 ( 5.308 0.000 1.038) 5.408 29.298 ( 1.101 0.000 -0.314) 1.145 29.322 ( 0.067 0.000 0.212) 0.222 31.634 ( -1.610 -0.000 -0.192) 1.622 31.638 ( -1.890 -0.000 0.189) 1.900 32.796 ( -5.957 -0.000 -1.013) 6.042 32.810 ( -9.159 -0.000 1.906) 9.355 32.994 ( -20.051 -0.000 0.195) 20.052 33.168 ( -2.539 -0.000 -0.733) 2.642 33.180 ( -4.558 -0.000 0.367) 4.573 33.188 ( -0.672 -0.000 2.298) 2.394 33.325 ( -11.210 -0.000 5.429) 12.456 33.549 ( -18.062 -0.000 -19.741) 26.757 35.332 ( -14.839 -0.000 -1.331) 14.898 36.048 ( -23.069 -0.000 -30.768) 38.456 =================== 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 3/39204 10.0 6.988 3.418 6.601 0.000 1.612 0.000 3/39204 20.0 2.657 1.563 2.604 0.000 0.394 0.000 3/39204 30.0 1.667 1.080 1.565 0.000 0.189 0.000 3/39204 40.0 1.231 0.853 1.120 0.000 0.120 0.000 3/39204 50.0 0.987 0.720 0.881 0.000 0.087 0.000 3/39204 60.0 0.831 0.630 0.734 0.000 0.069 0.000 3/39204 70.0 0.721 0.564 0.634 0.000 0.058 0.000 3/39204 80.0 0.639 0.512 0.562 0.000 0.050 0.000 3/39204 90.0 0.576 0.469 0.507 0.000 0.045 0.000 3/39204 100.0 0.525 0.434 0.464 0.000 0.041 0.000 3/39204 110.0 0.483 0.403 0.430 0.000 0.038 0.000 3/39204 120.0 0.448 0.377 0.402 0.000 0.035 0.000 3/39204 130.0 0.418 0.355 0.380 0.000 0.033 0.000 3/39204 140.0 0.393 0.335 0.361 0.000 0.031 0.000 3/39204 150.0 0.371 0.318 0.345 0.000 0.030 0.000 3/39204 160.0 0.353 0.304 0.331 0.000 0.029 0.000 3/39204 170.0 0.336 0.291 0.319 0.000 0.028 0.000 3/39204 180.0 0.322 0.280 0.309 0.000 0.027 0.000 3/39204 190.0 0.310 0.271 0.300 0.000 0.026 0.000 3/39204 200.0 0.299 0.263 0.292 0.000 0.026 0.000 3/39204 210.0 0.289 0.256 0.285 0.000 0.025 0.000 3/39204 220.0 0.281 0.250 0.278 0.000 0.024 0.000 3/39204 230.0 0.273 0.245 0.272 0.000 0.024 0.000 3/39204 240.0 0.267 0.241 0.267 0.000 0.023 0.000 3/39204 250.0 0.261 0.237 0.262 0.000 0.023 0.000 3/39204 260.0 0.255 0.234 0.257 0.000 0.022 0.000 3/39204 270.0 0.251 0.232 0.253 0.000 0.022 0.000 3/39204 280.0 0.246 0.229 0.249 0.000 0.022 0.000 3/39204 290.0 0.242 0.227 0.245 0.000 0.021 0.000 3/39204 300.0 0.238 0.225 0.241 0.000 0.021 0.000 3/39204 310.0 0.235 0.224 0.238 0.000 0.020 0.000 3/39204 320.0 0.232 0.222 0.234 0.000 0.020 0.000 3/39204 330.0 0.229 0.221 0.231 0.000 0.020 0.000 3/39204 340.0 0.226 0.220 0.228 0.000 0.019 0.000 3/39204 350.0 0.223 0.218 0.225 0.000 0.019 0.000 3/39204 360.0 0.220 0.217 0.222 0.000 0.019 0.000 3/39204 370.0 0.218 0.216 0.219 0.000 0.019 0.000 3/39204 380.0 0.215 0.215 0.216 0.000 0.018 0.000 3/39204 390.0 0.213 0.214 0.213 0.000 0.018 0.000 3/39204 400.0 0.211 0.213 0.211 0.000 0.018 0.000 3/39204 410.0 0.208 0.212 0.208 0.000 0.017 0.000 3/39204 420.0 0.206 0.210 0.205 0.000 0.017 0.000 3/39204 430.0 0.204 0.209 0.203 0.000 0.017 0.000 3/39204 440.0 0.202 0.208 0.200 0.000 0.017 0.000 3/39204 450.0 0.200 0.207 0.198 0.000 0.016 0.000 3/39204 460.0 0.198 0.206 0.195 0.000 0.016 0.000 3/39204 470.0 0.196 0.204 0.193 0.000 0.016 0.000 3/39204 480.0 0.194 0.203 0.191 0.000 0.016 0.000 3/39204 490.0 0.192 0.202 0.188 0.000 0.015 0.000 3/39204 500.0 0.190 0.200 0.186 0.000 0.015 0.000 3/39204 510.0 0.188 0.199 0.184 0.000 0.015 0.000 3/39204 520.0 0.186 0.198 0.182 0.000 0.015 0.000 3/39204 530.0 0.184 0.196 0.180 0.000 0.014 0.000 3/39204 540.0 0.182 0.195 0.177 0.000 0.014 0.000 3/39204 550.0 0.181 0.194 0.175 0.000 0.014 0.000 3/39204 560.0 0.179 0.192 0.173 0.000 0.014 0.000 3/39204 570.0 0.177 0.191 0.171 0.000 0.014 0.000 3/39204 580.0 0.175 0.189 0.169 0.000 0.013 0.000 3/39204 590.0 0.174 0.188 0.167 0.000 0.013 0.000 3/39204 600.0 0.172 0.187 0.166 0.000 0.013 0.000 3/39204 610.0 0.170 0.185 0.164 0.000 0.013 0.000 3/39204 620.0 0.169 0.184 0.162 0.000 0.013 0.000 3/39204 630.0 0.167 0.182 0.160 0.000 0.013 0.000 3/39204 640.0 0.165 0.181 0.158 0.000 0.012 0.000 3/39204 650.0 0.164 0.180 0.157 0.000 0.012 0.000 3/39204 660.0 0.162 0.178 0.155 0.000 0.012 0.000 3/39204 670.0 0.161 0.177 0.153 0.000 0.012 0.000 3/39204 680.0 0.159 0.175 0.152 0.000 0.012 0.000 3/39204 690.0 0.158 0.174 0.150 0.000 0.012 0.000 3/39204 700.0 0.156 0.173 0.148 0.000 0.011 0.000 3/39204 710.0 0.155 0.171 0.147 0.000 0.011 0.000 3/39204 720.0 0.153 0.170 0.145 0.000 0.011 0.000 3/39204 730.0 0.152 0.168 0.144 0.000 0.011 0.000 3/39204 740.0 0.150 0.167 0.142 0.000 0.011 0.000 3/39204 750.0 0.149 0.166 0.141 0.000 0.011 0.000 3/39204 760.0 0.147 0.164 0.139 0.000 0.011 0.000 3/39204 770.0 0.146 0.163 0.138 0.000 0.011 0.000 3/39204 780.0 0.145 0.162 0.137 0.000 0.010 0.000 3/39204 790.0 0.143 0.160 0.135 0.000 0.010 0.000 3/39204 800.0 0.142 0.159 0.134 0.000 0.010 0.000 3/39204 810.0 0.141 0.158 0.133 0.000 0.010 0.000 3/39204 820.0 0.140 0.157 0.131 0.000 0.010 0.000 3/39204 830.0 0.138 0.155 0.130 0.000 0.010 0.000 3/39204 840.0 0.137 0.154 0.129 0.000 0.010 0.000 3/39204 850.0 0.136 0.153 0.128 0.000 0.010 0.000 3/39204 860.0 0.135 0.152 0.126 0.000 0.010 0.000 3/39204 870.0 0.134 0.151 0.125 0.000 0.009 0.000 3/39204 880.0 0.132 0.149 0.124 0.000 0.009 0.000 3/39204 890.0 0.131 0.148 0.123 0.000 0.009 0.000 3/39204 900.0 0.130 0.147 0.122 0.000 0.009 0.000 3/39204 910.0 0.129 0.146 0.121 0.000 0.009 0.000 3/39204 920.0 0.128 0.145 0.120 0.000 0.009 0.000 3/39204 930.0 0.127 0.144 0.119 0.000 0.009 0.000 3/39204 940.0 0.126 0.143 0.117 0.000 0.009 0.000 3/39204 950.0 0.125 0.141 0.116 0.000 0.009 0.000 3/39204 960.0 0.124 0.140 0.115 0.000 0.009 0.000 3/39204 970.0 0.123 0.139 0.114 0.000 0.009 0.000 3/39204 980.0 0.122 0.138 0.113 0.000 0.008 0.000 3/39204 990.0 0.121 0.137 0.112 0.000 0.008 0.000 3/39204 1000.0 0.120 0.136 0.111 0.000 0.008 0.000 3/39204 Thermal conductivity related properties were written into "kappa-m11113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:56:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|