----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:44:34]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.674794350000000 Atomic positions (fractional): *1 K 0.84793478589973 0.75000000000000 0.76032462856182 39.098 2 K 0.65206521410027 0.25000000000000 0.26032462856182 39.098 3 K 0.15206521410027 0.25000000000000 0.23967537143818 39.098 4 K 0.34793478589973 0.75000000000000 0.73967537143818 39.098 *5 P 0.58897633651479 0.63073413922412 0.28693082678218 30.974 6 P 0.91102366348521 0.36926586077588 0.78693082678218 30.974 7 P 0.41102366348521 0.13073413922412 0.71306917321782 30.974 8 P 0.08897633651479 0.86926586077588 0.21306917321782 30.974 9 P 0.41102366348521 0.36926586077588 0.71306917321782 30.974 10 P 0.08897633651479 0.63073413922412 0.21306917321782 30.974 11 P 0.58897633651479 0.86926586077588 0.28693082678218 30.974 12 P 0.91102366348521 0.13073413922412 0.78693082678218 30.974 *13 P 0.84385396053124 0.50039476294796 0.28169562439281 30.974 14 P 0.65614603946876 0.49960523705204 0.78169562439281 30.974 15 P 0.15614603946876 0.00039476294796 0.71830437560718 30.974 16 P 0.34385396053124 0.99960523705204 0.21830437560718 30.974 17 P 0.15614603946876 0.49960523705204 0.71830437560718 30.974 18 P 0.34385396053124 0.50039476294796 0.21830437560718 30.974 19 P 0.84385396053124 0.99960523705204 0.28169562439281 30.974 20 P 0.65614603946876 0.00039476294796 0.78169562439281 30.974 *21 N 0.63402587274557 0.75000000000000 0.20147110163059 14.007 22 N 0.86597412725443 0.25000000000000 0.70147110163059 14.007 23 N 0.36597412725443 0.25000000000000 0.79852889836941 14.007 24 N 0.13402587274557 0.75000000000000 0.29852889836941 14.007 *25 N 0.61239867931786 0.60696543195808 0.62062481862128 14.007 26 N 0.88760132068214 0.39303456804192 0.12062481862128 14.007 27 N 0.38760132068214 0.10696543195808 0.37937518137872 14.007 28 N 0.11239867931786 0.89303456804192 0.87937518137872 14.007 29 N 0.38760132068214 0.39303456804192 0.37937518137872 14.007 30 N 0.11239867931786 0.60696543195808 0.87937518137872 14.007 31 N 0.61239867931786 0.89303456804192 0.62062481862128 14.007 32 N 0.88760132068214 0.10696543195808 0.12062481862128 14.007 *33 N 0.93908273718440 0.60304867966232 0.32274457490632 14.007 34 N 0.56091726281560 0.39695132033768 0.82274457490632 14.007 35 N 0.06091726281560 0.10304867966232 0.67725542509368 14.007 36 N 0.43908273718440 0.89695132033768 0.17725542509368 14.007 37 N 0.06091726281560 0.39695132033768 0.67725542509368 14.007 38 N 0.43908273718440 0.60304867966232 0.17725542509368 14.007 39 N 0.93908273718440 0.89695132033768 0.32274457490632 14.007 40 N 0.56091726281560 0.10304867966232 0.82274457490632 14.007 *41 N 0.69977992337643 0.54290572855745 0.11790758587643 14.007 42 N 0.80022007662357 0.45709427144255 0.61790758587643 14.007 43 N 0.30022007662357 0.04290572855745 0.88209241412357 14.007 44 N 0.19977992337643 0.95709427144255 0.38209241412357 14.007 45 N 0.30022007662357 0.45709427144255 0.88209241412357 14.007 46 N 0.19977992337643 0.54290572855745 0.38209241412357 14.007 47 N 0.69977992337643 0.95709427144255 0.11790758587643 14.007 48 N 0.80022007662357 0.04290572855745 0.61790758587643 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.674794350000000 Atomic positions (fractional): *1 K 0.84793478589973 0.75000000000000 0.76032462856182 39.098 > 1 2 K 0.65206521410027 0.25000000000000 0.26032462856182 39.098 > 2 3 K 0.15206521410027 0.25000000000000 0.23967537143818 39.098 > 3 4 K 0.34793478589973 0.75000000000000 0.73967537143818 39.098 > 4 *5 P 0.58897633651479 0.63073413922412 0.28693082678218 30.974 > 5 6 P 0.91102366348521 0.36926586077588 0.78693082678218 30.974 > 6 7 P 0.41102366348521 0.13073413922412 0.71306917321782 30.974 > 7 8 P 0.08897633651479 0.86926586077588 0.21306917321782 30.974 > 8 9 P 0.41102366348521 0.36926586077588 0.71306917321782 30.974 > 9 10 P 0.08897633651479 0.63073413922412 0.21306917321782 30.974 > 10 11 P 0.58897633651479 0.86926586077588 0.28693082678218 30.974 > 11 12 P 0.91102366348521 0.13073413922412 0.78693082678218 30.974 > 12 *13 P 0.84385396053124 0.50039476294796 0.28169562439281 30.974 > 13 14 P 0.65614603946876 0.49960523705204 0.78169562439282 30.974 > 14 15 P 0.15614603946876 0.00039476294796 0.71830437560718 30.974 > 15 16 P 0.34385396053124 0.99960523705204 0.21830437560718 30.974 > 16 17 P 0.15614603946876 0.49960523705204 0.71830437560718 30.974 > 17 18 P 0.34385396053124 0.50039476294796 0.21830437560718 30.974 > 18 19 P 0.84385396053124 0.99960523705204 0.28169562439281 30.974 > 19 20 P 0.65614603946876 0.00039476294796 0.78169562439282 30.974 > 20 *21 N 0.63402587274557 0.75000000000000 0.20147110163059 14.007 > 21 22 N 0.86597412725443 0.25000000000000 0.70147110163059 14.007 > 22 23 N 0.36597412725443 0.25000000000000 0.79852889836941 14.007 > 23 24 N 0.13402587274557 0.75000000000000 0.29852889836941 14.007 > 24 *25 N 0.61239867931786 0.60696543195808 0.62062481862128 14.007 > 25 26 N 0.88760132068214 0.39303456804192 0.12062481862128 14.007 > 26 27 N 0.38760132068214 0.10696543195808 0.37937518137872 14.007 > 27 28 N 0.11239867931786 0.89303456804192 0.87937518137872 14.007 > 28 29 N 0.38760132068214 0.39303456804192 0.37937518137872 14.007 > 29 30 N 0.11239867931786 0.60696543195808 0.87937518137872 14.007 > 30 31 N 0.61239867931786 0.89303456804192 0.62062481862128 14.007 > 31 32 N 0.88760132068214 0.10696543195808 0.12062481862128 14.007 > 32 *33 N 0.93908273718440 0.60304867966232 0.32274457490632 14.007 > 33 34 N 0.56091726281560 0.39695132033768 0.82274457490632 14.007 > 34 35 N 0.06091726281560 0.10304867966232 0.67725542509368 14.007 > 35 36 N 0.43908273718440 0.89695132033768 0.17725542509368 14.007 > 36 37 N 0.06091726281560 0.39695132033768 0.67725542509368 14.007 > 37 38 N 0.43908273718440 0.60304867966232 0.17725542509368 14.007 > 38 39 N 0.93908273718440 0.89695132033768 0.32274457490632 14.007 > 39 40 N 0.56091726281560 0.10304867966232 0.82274457490632 14.007 > 40 *41 N 0.69977992337643 0.54290572855745 0.11790758587643 14.007 > 41 42 N 0.80022007662357 0.45709427144255 0.61790758587643 14.007 > 42 43 N 0.30022007662357 0.04290572855745 0.88209241412357 14.007 > 43 44 N 0.19977992337643 0.95709427144255 0.38209241412357 14.007 > 44 45 N 0.30022007662357 0.45709427144255 0.88209241412357 14.007 > 45 46 N 0.19977992337643 0.54290572855745 0.38209241412357 14.007 > 46 47 N 0.69977992337643 0.95709427144255 0.11790758587643 14.007 > 47 48 N 0.80022007662357 0.04290572855745 0.61790758587643 14.007 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.024383050000001 Atomic positions (fractional): *1 K 0.84793478589973 0.75000000000000 0.25344154285394 39.098 > 1 2 K 0.84793478589973 0.75000000000000 0.58677487618727 39.098 > 1 3 K 0.84793478589973 0.75000000000000 0.92010820952061 39.098 > 1 4 K 0.65206521410027 0.25000000000000 0.08677487618727 39.098 > 2 5 K 0.65206521410027 0.25000000000000 0.42010820952061 39.098 > 2 6 K 0.65206521410027 0.25000000000000 0.75344154285394 39.098 > 2 7 K 0.15206521410027 0.25000000000000 0.07989179047939 39.098 > 3 8 K 0.15206521410027 0.25000000000000 0.41322512381273 39.098 > 3 9 K 0.15206521410027 0.25000000000000 0.74655845714606 39.098 > 3 10 K 0.34793478589973 0.75000000000000 0.24655845714606 39.098 > 4 11 K 0.34793478589973 0.75000000000000 0.57989179047939 39.098 > 4 12 K 0.34793478589973 0.75000000000000 0.91322512381273 39.098 > 4 *13 P 0.58897633651479 0.63073413922412 0.09564360892739 30.974 > 5 14 P 0.58897633651479 0.63073413922412 0.42897694226073 30.974 > 5 15 P 0.58897633651479 0.63073413922412 0.76231027559406 30.974 > 5 16 P 0.91102366348521 0.36926586077588 0.26231027559406 30.974 > 6 17 P 0.91102366348521 0.36926586077588 0.59564360892739 30.974 > 6 18 P 0.91102366348521 0.36926586077588 0.92897694226073 30.974 > 6 19 P 0.41102366348521 0.13073413922412 0.23768972440594 30.974 > 7 20 P 0.41102366348521 0.13073413922412 0.57102305773927 30.974 > 7 21 P 0.41102366348521 0.13073413922412 0.90435639107261 30.974 > 7 22 P 0.08897633651479 0.86926586077588 0.07102305773927 30.974 > 8 23 P 0.08897633651479 0.86926586077588 0.40435639107261 30.974 > 8 24 P 0.08897633651479 0.86926586077588 0.73768972440594 30.974 > 8 25 P 0.41102366348521 0.36926586077588 0.23768972440594 30.974 > 9 26 P 0.41102366348521 0.36926586077588 0.57102305773927 30.974 > 9 27 P 0.41102366348521 0.36926586077588 0.90435639107261 30.974 > 9 28 P 0.08897633651479 0.63073413922412 0.07102305773927 30.974 > 10 29 P 0.08897633651479 0.63073413922412 0.40435639107261 30.974 > 10 30 P 0.08897633651479 0.63073413922412 0.73768972440594 30.974 > 10 31 P 0.58897633651479 0.86926586077588 0.09564360892739 30.974 > 11 32 P 0.58897633651479 0.86926586077588 0.42897694226073 30.974 > 11 33 P 0.58897633651479 0.86926586077588 0.76231027559406 30.974 > 11 34 P 0.91102366348521 0.13073413922412 0.26231027559406 30.974 > 12 35 P 0.91102366348521 0.13073413922412 0.59564360892739 30.974 > 12 36 P 0.91102366348521 0.13073413922412 0.92897694226073 30.974 > 12 *37 P 0.84385396053124 0.50039476294796 0.09389854146427 30.974 > 13 38 P 0.84385396053124 0.50039476294796 0.42723187479760 30.974 > 13 39 P 0.84385396053124 0.50039476294796 0.76056520813094 30.974 > 13 40 P 0.65614603946876 0.49960523705204 0.26056520813094 30.974 > 14 41 P 0.65614603946876 0.49960523705204 0.59389854146427 30.974 > 14 42 P 0.65614603946876 0.49960523705204 0.92723187479760 30.974 > 14 43 P 0.15614603946876 0.00039476294796 0.23943479186906 30.974 > 15 44 P 0.15614603946876 0.00039476294796 0.57276812520239 30.974 > 15 45 P 0.15614603946876 0.00039476294796 0.90610145853573 30.974 > 15 46 P 0.34385396053124 0.99960523705204 0.07276812520239 30.974 > 16 47 P 0.34385396053124 0.99960523705204 0.40610145853573 30.974 > 16 48 P 0.34385396053124 0.99960523705204 0.73943479186906 30.974 > 16 49 P 0.15614603946876 0.49960523705204 0.23943479186906 30.974 > 17 50 P 0.15614603946876 0.49960523705204 0.57276812520239 30.974 > 17 51 P 0.15614603946876 0.49960523705204 0.90610145853573 30.974 > 17 52 P 0.34385396053124 0.50039476294796 0.07276812520239 30.974 > 18 53 P 0.34385396053124 0.50039476294796 0.40610145853573 30.974 > 18 54 P 0.34385396053124 0.50039476294796 0.73943479186906 30.974 > 18 55 P 0.84385396053124 0.99960523705204 0.09389854146427 30.974 > 19 56 P 0.84385396053124 0.99960523705204 0.42723187479760 30.974 > 19 57 P 0.84385396053124 0.99960523705204 0.76056520813094 30.974 > 19 58 P 0.65614603946876 0.00039476294796 0.26056520813094 30.974 > 20 59 P 0.65614603946876 0.00039476294796 0.59389854146427 30.974 > 20 60 P 0.65614603946876 0.00039476294796 0.92723187479760 30.974 > 20 *61 N 0.63402587274557 0.75000000000000 0.06715703387686 14.007 > 21 62 N 0.63402587274557 0.75000000000000 0.40049036721020 14.007 > 21 63 N 0.63402587274557 0.75000000000000 0.73382370054353 14.007 > 21 64 N 0.86597412725443 0.25000000000000 0.23382370054353 14.007 > 22 65 N 0.86597412725443 0.25000000000000 0.56715703387686 14.007 > 22 66 N 0.86597412725443 0.25000000000000 0.90049036721020 14.007 > 22 67 N 0.36597412725443 0.25000000000000 0.26617629945647 14.007 > 23 68 N 0.36597412725443 0.25000000000000 0.59950963278980 14.007 > 23 69 N 0.36597412725443 0.25000000000000 0.93284296612314 14.007 > 23 70 N 0.13402587274557 0.75000000000000 0.09950963278980 14.007 > 24 71 N 0.13402587274557 0.75000000000000 0.43284296612314 14.007 > 24 72 N 0.13402587274557 0.75000000000000 0.76617629945647 14.007 > 24 *73 N 0.61239867931786 0.60696543195808 0.20687493954043 14.007 > 25 74 N 0.61239867931786 0.60696543195808 0.54020827287376 14.007 > 25 75 N 0.61239867931786 0.60696543195808 0.87354160620709 14.007 > 25 76 N 0.88760132068214 0.39303456804192 0.04020827287376 14.007 > 26 77 N 0.88760132068214 0.39303456804192 0.37354160620709 14.007 > 26 78 N 0.88760132068214 0.39303456804192 0.70687493954043 14.007 > 26 79 N 0.38760132068214 0.10696543195808 0.12645839379291 14.007 > 27 80 N 0.38760132068214 0.10696543195808 0.45979172712624 14.007 > 27 81 N 0.38760132068214 0.10696543195808 0.79312506045957 14.007 > 27 82 N 0.11239867931786 0.89303456804192 0.29312506045957 14.007 > 28 83 N 0.11239867931786 0.89303456804192 0.62645839379291 14.007 > 28 84 N 0.11239867931786 0.89303456804192 0.95979172712624 14.007 > 28 85 N 0.38760132068214 0.39303456804192 0.12645839379291 14.007 > 29 86 N 0.38760132068214 0.39303456804192 0.45979172712624 14.007 > 29 87 N 0.38760132068214 0.39303456804192 0.79312506045957 14.007 > 29 88 N 0.11239867931786 0.60696543195808 0.29312506045957 14.007 > 30 89 N 0.11239867931786 0.60696543195808 0.62645839379291 14.007 > 30 90 N 0.11239867931786 0.60696543195808 0.95979172712624 14.007 > 30 91 N 0.61239867931786 0.89303456804192 0.20687493954043 14.007 > 31 92 N 0.61239867931786 0.89303456804192 0.54020827287376 14.007 > 31 93 N 0.61239867931786 0.89303456804192 0.87354160620709 14.007 > 31 94 N 0.88760132068214 0.10696543195808 0.04020827287376 14.007 > 32 95 N 0.88760132068214 0.10696543195808 0.37354160620709 14.007 > 32 96 N 0.88760132068214 0.10696543195808 0.70687493954043 14.007 > 32 *97 N 0.93908273718440 0.60304867966232 0.10758152496877 14.007 > 33 98 N 0.93908273718440 0.60304867966232 0.44091485830211 14.007 > 33 99 N 0.93908273718440 0.60304867966232 0.77424819163544 14.007 > 33 100 N 0.56091726281560 0.39695132033768 0.27424819163544 14.007 > 34 101 N 0.56091726281560 0.39695132033768 0.60758152496877 14.007 > 34 102 N 0.56091726281560 0.39695132033768 0.94091485830211 14.007 > 34 103 N 0.06091726281560 0.10304867966232 0.22575180836456 14.007 > 35 104 N 0.06091726281560 0.10304867966232 0.55908514169789 14.007 > 35 105 N 0.06091726281560 0.10304867966232 0.89241847503123 14.007 > 35 106 N 0.43908273718440 0.89695132033768 0.05908514169789 14.007 > 36 107 N 0.43908273718440 0.89695132033768 0.39241847503123 14.007 > 36 108 N 0.43908273718440 0.89695132033768 0.72575180836456 14.007 > 36 109 N 0.06091726281560 0.39695132033768 0.22575180836456 14.007 > 37 110 N 0.06091726281560 0.39695132033768 0.55908514169789 14.007 > 37 111 N 0.06091726281560 0.39695132033768 0.89241847503123 14.007 > 37 112 N 0.43908273718440 0.60304867966232 0.05908514169789 14.007 > 38 113 N 0.43908273718440 0.60304867966232 0.39241847503123 14.007 > 38 114 N 0.43908273718440 0.60304867966232 0.72575180836456 14.007 > 38 115 N 0.93908273718440 0.89695132033768 0.10758152496877 14.007 > 39 116 N 0.93908273718440 0.89695132033768 0.44091485830211 14.007 > 39 117 N 0.93908273718440 0.89695132033768 0.77424819163544 14.007 > 39 118 N 0.56091726281560 0.10304867966232 0.27424819163544 14.007 > 40 119 N 0.56091726281560 0.10304867966232 0.60758152496877 14.007 > 40 120 N 0.56091726281560 0.10304867966232 0.94091485830211 14.007 > 40 *121 N 0.69977992337643 0.54290572855745 0.03930252862548 14.007 > 41 122 N 0.69977992337643 0.54290572855745 0.37263586195881 14.007 > 41 123 N 0.69977992337643 0.54290572855745 0.70596919529214 14.007 > 41 124 N 0.80022007662357 0.45709427144255 0.20596919529214 14.007 > 42 125 N 0.80022007662357 0.45709427144255 0.53930252862548 14.007 > 42 126 N 0.80022007662357 0.45709427144255 0.87263586195881 14.007 > 42 127 N 0.30022007662357 0.04290572855745 0.29403080470786 14.007 > 43 128 N 0.30022007662357 0.04290572855745 0.62736413804119 14.007 > 43 129 N 0.30022007662357 0.04290572855745 0.96069747137452 14.007 > 43 130 N 0.19977992337643 0.95709427144255 0.12736413804119 14.007 > 44 131 N 0.19977992337643 0.95709427144255 0.46069747137452 14.007 > 44 132 N 0.19977992337643 0.95709427144255 0.79403080470786 14.007 > 44 133 N 0.30022007662357 0.45709427144255 0.29403080470786 14.007 > 45 134 N 0.30022007662357 0.45709427144255 0.62736413804119 14.007 > 45 135 N 0.30022007662357 0.45709427144255 0.96069747137452 14.007 > 45 136 N 0.19977992337643 0.54290572855745 0.12736413804119 14.007 > 46 137 N 0.19977992337643 0.54290572855745 0.46069747137452 14.007 > 46 138 N 0.19977992337643 0.54290572855745 0.79403080470786 14.007 > 46 139 N 0.69977992337643 0.95709427144255 0.03930252862548 14.007 > 47 140 N 0.69977992337643 0.95709427144255 0.37263586195881 14.007 > 47 141 N 0.69977992337643 0.95709427144255 0.70596919529214 14.007 > 47 142 N 0.80022007662357 0.04290572855745 0.20596919529214 14.007 > 48 143 N 0.80022007662357 0.04290572855745 0.53930252862548 14.007 > 48 144 N 0.80022007662357 0.04290572855745 0.87263586195881 14.007 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1615321 0.0000000 0.0000000 0.0000000 4.1445346 0.0000000 0.0000000 0.0000000 4.0883991 -------------------------- Born effective charges -------------------------- 1 K 1.2868536 0.0000000 -0.0344100 0.0000000 1.3480424 0.0000000 -0.0405681 0.0000000 1.2397416 2 K 1.2868536 0.0000000 0.0344100 0.0000000 1.3480424 0.0000000 0.0405681 0.0000000 1.2397416 3 K 1.2868536 0.0000000 -0.0344100 0.0000000 1.3480424 0.0000000 -0.0405681 0.0000000 1.2397416 4 K 1.2868536 0.0000000 0.0344100 0.0000000 1.3480424 0.0000000 0.0405681 0.0000000 1.2397416 5 P 3.9248885 -0.2460782 0.5229191 0.7870307 4.8270171 -0.7918841 -0.0641031 0.1029146 3.6782802 6 P 3.9248885 -0.2460782 -0.5229191 0.7870307 4.8270171 0.7918841 0.0641031 -0.1029146 3.6782802 7 P 3.9248885 0.2460782 0.5229191 -0.7870307 4.8270171 0.7918841 -0.0641031 -0.1029146 3.6782802 8 P 3.9248885 0.2460782 -0.5229191 -0.7870307 4.8270171 -0.7918841 0.0641031 0.1029146 3.6782802 9 P 3.9248885 -0.2460782 0.5229191 0.7870307 4.8270171 -0.7918841 -0.0641031 0.1029146 3.6782802 10 P 3.9248885 -0.2460782 -0.5229191 0.7870307 4.8270171 0.7918841 0.0641031 -0.1029146 3.6782802 11 P 3.9248885 0.2460782 0.5229191 -0.7870307 4.8270171 0.7918841 -0.0641031 -0.1029146 3.6782802 12 P 3.9248885 0.2460782 -0.5229191 -0.7870307 4.8270171 -0.7918841 0.0641031 0.1029146 3.6782802 13 P 4.2027918 0.5435782 0.2683136 0.0569600 3.1766572 0.0213200 -0.1042436 0.3142320 4.0574705 14 P 4.2027918 0.5435782 -0.2683136 0.0569600 3.1766572 -0.0213200 0.1042436 -0.3142320 4.0574705 15 P 4.2027918 -0.5435782 0.2683136 -0.0569600 3.1766572 -0.0213200 -0.1042436 -0.3142320 4.0574705 16 P 4.2027918 -0.5435782 -0.2683136 -0.0569600 3.1766572 0.0213200 0.1042436 0.3142320 4.0574705 17 P 4.2027918 0.5435782 0.2683136 0.0569600 3.1766572 0.0213200 -0.1042436 0.3142320 4.0574705 18 P 4.2027918 0.5435782 -0.2683136 0.0569600 3.1766572 -0.0213200 0.1042436 -0.3142320 4.0574705 19 P 4.2027918 -0.5435782 0.2683136 -0.0569600 3.1766572 -0.0213200 -0.1042436 -0.3142320 4.0574705 20 P 4.2027918 -0.5435782 -0.2683136 -0.0569600 3.1766572 0.0213200 0.1042436 0.3142320 4.0574705 21 N -1.4875328 0.0000000 0.0551366 0.0000000 -4.6629400 0.0000000 0.0986306 0.0000000 -1.4062424 22 N -1.4875328 0.0000000 -0.0551366 0.0000000 -4.6629400 0.0000000 -0.0986306 0.0000000 -1.4062424 23 N -1.4875328 0.0000000 0.0551366 0.0000000 -4.6629400 0.0000000 0.0986306 0.0000000 -1.4062424 24 N -1.4875328 0.0000000 -0.0551366 0.0000000 -4.6629400 0.0000000 -0.0986306 0.0000000 -1.4062424 25 N -1.7092398 0.3763612 -0.4132706 0.1443813 -2.2657338 1.0124462 -0.3713726 0.9752726 -3.1201335 26 N -1.7092398 0.3763612 0.4132706 0.1443813 -2.2657338 -1.0124462 0.3713726 -0.9752726 -3.1201335 27 N -1.7092398 -0.3763612 -0.4132706 -0.1443813 -2.2657338 -1.0124462 -0.3713726 -0.9752726 -3.1201335 28 N -1.7092398 -0.3763612 0.4132706 -0.1443813 -2.2657338 1.0124462 0.3713726 0.9752726 -3.1201335 29 N -1.7092398 0.3763612 -0.4132706 0.1443813 -2.2657338 1.0124462 -0.3713726 0.9752726 -3.1201335 30 N -1.7092398 0.3763612 0.4132706 0.1443813 -2.2657338 -1.0124462 0.3713726 -0.9752726 -3.1201335 31 N -1.7092398 -0.3763612 -0.4132706 -0.1443813 -2.2657338 -1.0124462 -0.3713726 -0.9752726 -3.1201335 32 N -1.7092398 -0.3763612 0.4132706 -0.1443813 -2.2657338 1.0124462 0.3713726 0.9752726 -3.1201335 33 N -3.3746218 -1.2419612 0.2648964 -1.0274147 -2.3811802 -0.0572473 0.2633535 0.0003980 -1.6449979 34 N -3.3746218 -1.2419612 -0.2648964 -1.0274147 -2.3811802 0.0572473 -0.2633535 -0.0003980 -1.6449979 35 N -3.3746218 1.2419612 0.2648964 1.0274147 -2.3811802 0.0572473 0.2633535 -0.0003980 -1.6449979 36 N -3.3746218 1.2419612 -0.2648964 1.0274147 -2.3811802 -0.0572473 -0.2633535 0.0003980 -1.6449979 37 N -3.3746218 -1.2419612 0.2648964 -1.0274147 -2.3811802 -0.0572473 0.2633535 0.0003980 -1.6449979 38 N -3.3746218 -1.2419612 -0.2648964 -1.0274147 -2.3811802 0.0572473 -0.2633535 -0.0003980 -1.6449979 39 N -3.3746218 1.2419612 0.2648964 1.0274147 -2.3811802 0.0572473 0.2633535 -0.0003980 -1.6449979 40 N -3.3746218 1.2419612 -0.2648964 1.0274147 -2.3811802 -0.0572473 -0.2633535 0.0003980 -1.6449979 41 N -2.9434791 0.5926757 -0.5607083 0.4528130 -1.6993115 -0.4316447 -0.1202345 -0.6449774 -2.8873690 42 N -2.9434791 0.5926757 0.5607083 0.4528130 -1.6993115 0.4316447 0.1202345 0.6449774 -2.8873690 43 N -2.9434791 -0.5926757 -0.5607083 -0.4528130 -1.6993115 0.4316447 -0.1202345 0.6449774 -2.8873690 44 N -2.9434791 -0.5926757 0.5607083 -0.4528130 -1.6993115 -0.4316447 0.1202345 -0.6449774 -2.8873690 45 N -2.9434791 0.5926757 -0.5607083 0.4528130 -1.6993115 -0.4316447 -0.1202345 -0.6449774 -2.8873690 46 N -2.9434791 0.5926757 0.5607083 0.4528130 -1.6993115 0.4316447 0.1202345 0.6449774 -2.8873690 47 N -2.9434791 -0.5926757 -0.5607083 -0.4528130 -1.6993115 0.4316447 -0.1202345 0.6449774 -2.8873690 48 N -2.9434791 -0.5926757 0.5607083 -0.4528130 -1.6993115 -0.4316447 0.1202345 -0.6449774 -2.8873690 ---------------------------------------------------------------------------- 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: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (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: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.294 Solver_block: 200 / 720 - Time: 1.253 Solver_block: 300 / 720 - Time: 1.223 Solver_block: 400 / 720 - Time: 1.224 Solver_block: 500 / 720 - Time: 1.246 Solver_block: 600 / 720 - Time: 1.242 Solver_block: 700 / 720 - Time: 1.233 Solver_block: 720 / 720 - Time: 0.361 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.288 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (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: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 09:45:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:45:23]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.674794350000000 Atomic positions (fractional): 1 K 0.84793478589973 0.75000000000000 0.76032462856182 39.098 2 K 0.65206521410027 0.25000000000000 0.26032462856182 39.098 3 K 0.15206521410027 0.25000000000000 0.23967537143818 39.098 4 K 0.34793478589973 0.75000000000000 0.73967537143818 39.098 5 P 0.58897633651479 0.63073413922412 0.28693082678218 30.974 6 P 0.91102366348521 0.36926586077588 0.78693082678218 30.974 7 P 0.41102366348521 0.13073413922412 0.71306917321782 30.974 8 P 0.08897633651479 0.86926586077588 0.21306917321782 30.974 9 P 0.41102366348521 0.36926586077588 0.71306917321782 30.974 10 P 0.08897633651479 0.63073413922412 0.21306917321782 30.974 11 P 0.58897633651479 0.86926586077588 0.28693082678218 30.974 12 P 0.91102366348521 0.13073413922412 0.78693082678218 30.974 13 P 0.84385396053124 0.50039476294796 0.28169562439281 30.974 14 P 0.65614603946876 0.49960523705204 0.78169562439281 30.974 15 P 0.15614603946876 0.00039476294796 0.71830437560718 30.974 16 P 0.34385396053124 0.99960523705204 0.21830437560718 30.974 17 P 0.15614603946876 0.49960523705204 0.71830437560718 30.974 18 P 0.34385396053124 0.50039476294796 0.21830437560718 30.974 19 P 0.84385396053124 0.99960523705204 0.28169562439281 30.974 20 P 0.65614603946876 0.00039476294796 0.78169562439281 30.974 21 N 0.63402587274557 0.75000000000000 0.20147110163059 14.007 22 N 0.86597412725443 0.25000000000000 0.70147110163059 14.007 23 N 0.36597412725443 0.25000000000000 0.79852889836941 14.007 24 N 0.13402587274557 0.75000000000000 0.29852889836941 14.007 25 N 0.61239867931786 0.60696543195808 0.62062481862128 14.007 26 N 0.88760132068214 0.39303456804192 0.12062481862128 14.007 27 N 0.38760132068214 0.10696543195808 0.37937518137872 14.007 28 N 0.11239867931786 0.89303456804192 0.87937518137872 14.007 29 N 0.38760132068214 0.39303456804192 0.37937518137872 14.007 30 N 0.11239867931786 0.60696543195808 0.87937518137872 14.007 31 N 0.61239867931786 0.89303456804192 0.62062481862128 14.007 32 N 0.88760132068214 0.10696543195808 0.12062481862128 14.007 33 N 0.93908273718440 0.60304867966232 0.32274457490632 14.007 34 N 0.56091726281560 0.39695132033768 0.82274457490632 14.007 35 N 0.06091726281560 0.10304867966232 0.67725542509368 14.007 36 N 0.43908273718440 0.89695132033768 0.17725542509368 14.007 37 N 0.06091726281560 0.39695132033768 0.67725542509368 14.007 38 N 0.43908273718440 0.60304867966232 0.17725542509368 14.007 39 N 0.93908273718440 0.89695132033768 0.32274457490632 14.007 40 N 0.56091726281560 0.10304867966232 0.82274457490632 14.007 41 N 0.69977992337643 0.54290572855745 0.11790758587643 14.007 42 N 0.80022007662357 0.45709427144255 0.61790758587643 14.007 43 N 0.30022007662357 0.04290572855745 0.88209241412357 14.007 44 N 0.19977992337643 0.95709427144255 0.38209241412357 14.007 45 N 0.30022007662357 0.45709427144255 0.88209241412357 14.007 46 N 0.19977992337643 0.54290572855745 0.38209241412357 14.007 47 N 0.69977992337643 0.95709427144255 0.11790758587643 14.007 48 N 0.80022007662357 0.04290572855745 0.61790758587643 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.024383050000001 Atomic positions (fractional): 1 K 0.84793478589973 0.75000000000000 0.25344154285394 39.098 > 1 2 K 0.84793478589973 0.75000000000000 0.58677487618727 39.098 > 1 3 K 0.84793478589973 0.75000000000000 0.92010820952061 39.098 > 1 4 K 0.65206521410027 0.25000000000000 0.08677487618727 39.098 > 4 5 K 0.65206521410027 0.25000000000000 0.42010820952061 39.098 > 4 6 K 0.65206521410027 0.25000000000000 0.75344154285394 39.098 > 4 7 K 0.15206521410027 0.25000000000000 0.07989179047939 39.098 > 7 8 K 0.15206521410027 0.25000000000000 0.41322512381273 39.098 > 7 9 K 0.15206521410027 0.25000000000000 0.74655845714606 39.098 > 7 10 K 0.34793478589973 0.75000000000000 0.24655845714606 39.098 > 10 11 K 0.34793478589973 0.75000000000000 0.57989179047939 39.098 > 10 12 K 0.34793478589973 0.75000000000000 0.91322512381273 39.098 > 10 13 P 0.58897633651479 0.63073413922412 0.09564360892739 30.974 > 13 14 P 0.58897633651479 0.63073413922412 0.42897694226073 30.974 > 13 15 P 0.58897633651479 0.63073413922412 0.76231027559406 30.974 > 13 16 P 0.91102366348521 0.36926586077588 0.26231027559406 30.974 > 16 17 P 0.91102366348521 0.36926586077588 0.59564360892739 30.974 > 16 18 P 0.91102366348521 0.36926586077588 0.92897694226073 30.974 > 16 19 P 0.41102366348521 0.13073413922412 0.23768972440594 30.974 > 19 20 P 0.41102366348521 0.13073413922412 0.57102305773927 30.974 > 19 21 P 0.41102366348521 0.13073413922412 0.90435639107261 30.974 > 19 22 P 0.08897633651479 0.86926586077588 0.07102305773927 30.974 > 22 23 P 0.08897633651479 0.86926586077588 0.40435639107261 30.974 > 22 24 P 0.08897633651479 0.86926586077588 0.73768972440594 30.974 > 22 25 P 0.41102366348521 0.36926586077588 0.23768972440594 30.974 > 25 26 P 0.41102366348521 0.36926586077588 0.57102305773927 30.974 > 25 27 P 0.41102366348521 0.36926586077588 0.90435639107261 30.974 > 25 28 P 0.08897633651479 0.63073413922412 0.07102305773927 30.974 > 28 29 P 0.08897633651479 0.63073413922412 0.40435639107261 30.974 > 28 30 P 0.08897633651479 0.63073413922412 0.73768972440594 30.974 > 28 31 P 0.58897633651479 0.86926586077588 0.09564360892739 30.974 > 31 32 P 0.58897633651479 0.86926586077588 0.42897694226073 30.974 > 31 33 P 0.58897633651479 0.86926586077588 0.76231027559406 30.974 > 31 34 P 0.91102366348521 0.13073413922412 0.26231027559406 30.974 > 34 35 P 0.91102366348521 0.13073413922412 0.59564360892739 30.974 > 34 36 P 0.91102366348521 0.13073413922412 0.92897694226073 30.974 > 34 37 P 0.84385396053124 0.50039476294796 0.09389854146427 30.974 > 37 38 P 0.84385396053124 0.50039476294796 0.42723187479760 30.974 > 37 39 P 0.84385396053124 0.50039476294796 0.76056520813094 30.974 > 37 40 P 0.65614603946876 0.49960523705204 0.26056520813094 30.974 > 40 41 P 0.65614603946876 0.49960523705204 0.59389854146427 30.974 > 40 42 P 0.65614603946876 0.49960523705204 0.92723187479760 30.974 > 40 43 P 0.15614603946876 0.00039476294796 0.23943479186906 30.974 > 43 44 P 0.15614603946876 0.00039476294796 0.57276812520239 30.974 > 43 45 P 0.15614603946876 0.00039476294796 0.90610145853573 30.974 > 43 46 P 0.34385396053124 0.99960523705204 0.07276812520239 30.974 > 46 47 P 0.34385396053124 0.99960523705204 0.40610145853573 30.974 > 46 48 P 0.34385396053124 0.99960523705204 0.73943479186906 30.974 > 46 49 P 0.15614603946876 0.49960523705204 0.23943479186906 30.974 > 49 50 P 0.15614603946876 0.49960523705204 0.57276812520239 30.974 > 49 51 P 0.15614603946876 0.49960523705204 0.90610145853573 30.974 > 49 52 P 0.34385396053124 0.50039476294796 0.07276812520239 30.974 > 52 53 P 0.34385396053124 0.50039476294796 0.40610145853573 30.974 > 52 54 P 0.34385396053124 0.50039476294796 0.73943479186906 30.974 > 52 55 P 0.84385396053124 0.99960523705204 0.09389854146427 30.974 > 55 56 P 0.84385396053124 0.99960523705204 0.42723187479760 30.974 > 55 57 P 0.84385396053124 0.99960523705204 0.76056520813094 30.974 > 55 58 P 0.65614603946876 0.00039476294796 0.26056520813094 30.974 > 58 59 P 0.65614603946876 0.00039476294796 0.59389854146427 30.974 > 58 60 P 0.65614603946876 0.00039476294796 0.92723187479760 30.974 > 58 61 N 0.63402587274557 0.75000000000000 0.06715703387686 14.007 > 61 62 N 0.63402587274557 0.75000000000000 0.40049036721020 14.007 > 61 63 N 0.63402587274557 0.75000000000000 0.73382370054353 14.007 > 61 64 N 0.86597412725443 0.25000000000000 0.23382370054353 14.007 > 64 65 N 0.86597412725443 0.25000000000000 0.56715703387686 14.007 > 64 66 N 0.86597412725443 0.25000000000000 0.90049036721020 14.007 > 64 67 N 0.36597412725443 0.25000000000000 0.26617629945647 14.007 > 67 68 N 0.36597412725443 0.25000000000000 0.59950963278980 14.007 > 67 69 N 0.36597412725443 0.25000000000000 0.93284296612314 14.007 > 67 70 N 0.13402587274557 0.75000000000000 0.09950963278980 14.007 > 70 71 N 0.13402587274557 0.75000000000000 0.43284296612314 14.007 > 70 72 N 0.13402587274557 0.75000000000000 0.76617629945647 14.007 > 70 73 N 0.61239867931786 0.60696543195808 0.20687493954043 14.007 > 73 74 N 0.61239867931786 0.60696543195808 0.54020827287376 14.007 > 73 75 N 0.61239867931786 0.60696543195808 0.87354160620709 14.007 > 73 76 N 0.88760132068214 0.39303456804192 0.04020827287376 14.007 > 76 77 N 0.88760132068214 0.39303456804192 0.37354160620709 14.007 > 76 78 N 0.88760132068214 0.39303456804192 0.70687493954043 14.007 > 76 79 N 0.38760132068214 0.10696543195808 0.12645839379291 14.007 > 79 80 N 0.38760132068214 0.10696543195808 0.45979172712624 14.007 > 79 81 N 0.38760132068214 0.10696543195808 0.79312506045957 14.007 > 79 82 N 0.11239867931786 0.89303456804192 0.29312506045957 14.007 > 82 83 N 0.11239867931786 0.89303456804192 0.62645839379291 14.007 > 82 84 N 0.11239867931786 0.89303456804192 0.95979172712624 14.007 > 82 85 N 0.38760132068214 0.39303456804192 0.12645839379291 14.007 > 85 86 N 0.38760132068214 0.39303456804192 0.45979172712624 14.007 > 85 87 N 0.38760132068214 0.39303456804192 0.79312506045957 14.007 > 85 88 N 0.11239867931786 0.60696543195808 0.29312506045957 14.007 > 88 89 N 0.11239867931786 0.60696543195808 0.62645839379291 14.007 > 88 90 N 0.11239867931786 0.60696543195808 0.95979172712624 14.007 > 88 91 N 0.61239867931786 0.89303456804192 0.20687493954043 14.007 > 91 92 N 0.61239867931786 0.89303456804192 0.54020827287376 14.007 > 91 93 N 0.61239867931786 0.89303456804192 0.87354160620709 14.007 > 91 94 N 0.88760132068214 0.10696543195808 0.04020827287376 14.007 > 94 95 N 0.88760132068214 0.10696543195808 0.37354160620709 14.007 > 94 96 N 0.88760132068214 0.10696543195808 0.70687493954043 14.007 > 94 97 N 0.93908273718440 0.60304867966232 0.10758152496877 14.007 > 97 98 N 0.93908273718440 0.60304867966232 0.44091485830211 14.007 > 97 99 N 0.93908273718440 0.60304867966232 0.77424819163544 14.007 > 97 100 N 0.56091726281560 0.39695132033768 0.27424819163544 14.007 > 100 101 N 0.56091726281560 0.39695132033768 0.60758152496877 14.007 > 100 102 N 0.56091726281560 0.39695132033768 0.94091485830211 14.007 > 100 103 N 0.06091726281560 0.10304867966232 0.22575180836456 14.007 > 103 104 N 0.06091726281560 0.10304867966232 0.55908514169789 14.007 > 103 105 N 0.06091726281560 0.10304867966232 0.89241847503123 14.007 > 103 106 N 0.43908273718440 0.89695132033768 0.05908514169789 14.007 > 106 107 N 0.43908273718440 0.89695132033768 0.39241847503123 14.007 > 106 108 N 0.43908273718440 0.89695132033768 0.72575180836456 14.007 > 106 109 N 0.06091726281560 0.39695132033768 0.22575180836456 14.007 > 109 110 N 0.06091726281560 0.39695132033768 0.55908514169789 14.007 > 109 111 N 0.06091726281560 0.39695132033768 0.89241847503123 14.007 > 109 112 N 0.43908273718440 0.60304867966232 0.05908514169789 14.007 > 112 113 N 0.43908273718440 0.60304867966232 0.39241847503123 14.007 > 112 114 N 0.43908273718440 0.60304867966232 0.72575180836456 14.007 > 112 115 N 0.93908273718440 0.89695132033768 0.10758152496877 14.007 > 115 116 N 0.93908273718440 0.89695132033768 0.44091485830211 14.007 > 115 117 N 0.93908273718440 0.89695132033768 0.77424819163544 14.007 > 115 118 N 0.56091726281560 0.10304867966232 0.27424819163544 14.007 > 118 119 N 0.56091726281560 0.10304867966232 0.60758152496877 14.007 > 118 120 N 0.56091726281560 0.10304867966232 0.94091485830211 14.007 > 118 121 N 0.69977992337643 0.54290572855745 0.03930252862548 14.007 > 121 122 N 0.69977992337643 0.54290572855745 0.37263586195881 14.007 > 121 123 N 0.69977992337643 0.54290572855745 0.70596919529214 14.007 > 121 124 N 0.80022007662357 0.45709427144255 0.20596919529214 14.007 > 124 125 N 0.80022007662357 0.45709427144255 0.53930252862548 14.007 > 124 126 N 0.80022007662357 0.45709427144255 0.87263586195881 14.007 > 124 127 N 0.30022007662357 0.04290572855745 0.29403080470786 14.007 > 127 128 N 0.30022007662357 0.04290572855745 0.62736413804119 14.007 > 127 129 N 0.30022007662357 0.04290572855745 0.96069747137452 14.007 > 127 130 N 0.19977992337643 0.95709427144255 0.12736413804119 14.007 > 130 131 N 0.19977992337643 0.95709427144255 0.46069747137452 14.007 > 130 132 N 0.19977992337643 0.95709427144255 0.79403080470786 14.007 > 130 133 N 0.30022007662357 0.45709427144255 0.29403080470786 14.007 > 133 134 N 0.30022007662357 0.45709427144255 0.62736413804119 14.007 > 133 135 N 0.30022007662357 0.45709427144255 0.96069747137452 14.007 > 133 136 N 0.19977992337643 0.54290572855745 0.12736413804119 14.007 > 136 137 N 0.19977992337643 0.54290572855745 0.46069747137452 14.007 > 136 138 N 0.19977992337643 0.54290572855745 0.79403080470786 14.007 > 136 139 N 0.69977992337643 0.95709427144255 0.03930252862548 14.007 > 139 140 N 0.69977992337643 0.95709427144255 0.37263586195881 14.007 > 139 141 N 0.69977992337643 0.95709427144255 0.70596919529214 14.007 > 139 142 N 0.80022007662357 0.04290572855745 0.20596919529214 14.007 > 142 143 N 0.80022007662357 0.04290572855745 0.53930252862548 14.007 > 142 144 N 0.80022007662357 0.04290572855745 0.87263586195881 14.007 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1615321 0.0000000 0.0000000 0.0000000 4.1445346 0.0000000 0.0000000 0.0000000 4.0883991 -------------------------- Born effective charges -------------------------- 1 K 1.2868536 0.0000000 -0.0344100 0.0000000 1.3480424 0.0000000 -0.0405681 0.0000000 1.2397416 2 K 1.2868536 0.0000000 0.0344100 0.0000000 1.3480424 0.0000000 0.0405681 0.0000000 1.2397416 3 K 1.2868536 0.0000000 -0.0344100 0.0000000 1.3480424 0.0000000 -0.0405681 0.0000000 1.2397416 4 K 1.2868536 0.0000000 0.0344100 0.0000000 1.3480424 0.0000000 0.0405681 0.0000000 1.2397416 5 P 3.9248885 -0.2460782 0.5229191 0.7870307 4.8270171 -0.7918841 -0.0641031 0.1029146 3.6782802 6 P 3.9248885 -0.2460782 -0.5229191 0.7870307 4.8270171 0.7918841 0.0641031 -0.1029146 3.6782802 7 P 3.9248885 0.2460782 0.5229191 -0.7870307 4.8270171 0.7918841 -0.0641031 -0.1029146 3.6782802 8 P 3.9248885 0.2460782 -0.5229191 -0.7870307 4.8270171 -0.7918841 0.0641031 0.1029146 3.6782802 9 P 3.9248885 -0.2460782 0.5229191 0.7870307 4.8270171 -0.7918841 -0.0641031 0.1029146 3.6782802 10 P 3.9248885 -0.2460782 -0.5229191 0.7870307 4.8270171 0.7918841 0.0641031 -0.1029146 3.6782802 11 P 3.9248885 0.2460782 0.5229191 -0.7870307 4.8270171 0.7918841 -0.0641031 -0.1029146 3.6782802 12 P 3.9248885 0.2460782 -0.5229191 -0.7870307 4.8270171 -0.7918841 0.0641031 0.1029146 3.6782802 13 P 4.2027918 0.5435782 0.2683136 0.0569600 3.1766572 0.0213200 -0.1042436 0.3142320 4.0574705 14 P 4.2027918 0.5435782 -0.2683136 0.0569600 3.1766572 -0.0213200 0.1042436 -0.3142320 4.0574705 15 P 4.2027918 -0.5435782 0.2683136 -0.0569600 3.1766572 -0.0213200 -0.1042436 -0.3142320 4.0574705 16 P 4.2027918 -0.5435782 -0.2683136 -0.0569600 3.1766572 0.0213200 0.1042436 0.3142320 4.0574705 17 P 4.2027918 0.5435782 0.2683136 0.0569600 3.1766572 0.0213200 -0.1042436 0.3142320 4.0574705 18 P 4.2027918 0.5435782 -0.2683136 0.0569600 3.1766572 -0.0213200 0.1042436 -0.3142320 4.0574705 19 P 4.2027918 -0.5435782 0.2683136 -0.0569600 3.1766572 -0.0213200 -0.1042436 -0.3142320 4.0574705 20 P 4.2027918 -0.5435782 -0.2683136 -0.0569600 3.1766572 0.0213200 0.1042436 0.3142320 4.0574705 21 N -1.4875328 0.0000000 0.0551366 0.0000000 -4.6629400 0.0000000 0.0986306 0.0000000 -1.4062424 22 N -1.4875328 0.0000000 -0.0551366 0.0000000 -4.6629400 0.0000000 -0.0986306 0.0000000 -1.4062424 23 N -1.4875328 0.0000000 0.0551366 0.0000000 -4.6629400 0.0000000 0.0986306 0.0000000 -1.4062424 24 N -1.4875328 0.0000000 -0.0551366 0.0000000 -4.6629400 0.0000000 -0.0986306 0.0000000 -1.4062424 25 N -1.7092398 0.3763612 -0.4132706 0.1443813 -2.2657338 1.0124462 -0.3713726 0.9752726 -3.1201335 26 N -1.7092398 0.3763612 0.4132706 0.1443813 -2.2657338 -1.0124462 0.3713726 -0.9752726 -3.1201335 27 N -1.7092398 -0.3763612 -0.4132706 -0.1443813 -2.2657338 -1.0124462 -0.3713726 -0.9752726 -3.1201335 28 N -1.7092398 -0.3763612 0.4132706 -0.1443813 -2.2657338 1.0124462 0.3713726 0.9752726 -3.1201335 29 N -1.7092398 0.3763612 -0.4132706 0.1443813 -2.2657338 1.0124462 -0.3713726 0.9752726 -3.1201335 30 N -1.7092398 0.3763612 0.4132706 0.1443813 -2.2657338 -1.0124462 0.3713726 -0.9752726 -3.1201335 31 N -1.7092398 -0.3763612 -0.4132706 -0.1443813 -2.2657338 -1.0124462 -0.3713726 -0.9752726 -3.1201335 32 N -1.7092398 -0.3763612 0.4132706 -0.1443813 -2.2657338 1.0124462 0.3713726 0.9752726 -3.1201335 33 N -3.3746218 -1.2419612 0.2648964 -1.0274147 -2.3811802 -0.0572473 0.2633535 0.0003980 -1.6449979 34 N -3.3746218 -1.2419612 -0.2648964 -1.0274147 -2.3811802 0.0572473 -0.2633535 -0.0003980 -1.6449979 35 N -3.3746218 1.2419612 0.2648964 1.0274147 -2.3811802 0.0572473 0.2633535 -0.0003980 -1.6449979 36 N -3.3746218 1.2419612 -0.2648964 1.0274147 -2.3811802 -0.0572473 -0.2633535 0.0003980 -1.6449979 37 N -3.3746218 -1.2419612 0.2648964 -1.0274147 -2.3811802 -0.0572473 0.2633535 0.0003980 -1.6449979 38 N -3.3746218 -1.2419612 -0.2648964 -1.0274147 -2.3811802 0.0572473 -0.2633535 -0.0003980 -1.6449979 39 N -3.3746218 1.2419612 0.2648964 1.0274147 -2.3811802 0.0572473 0.2633535 -0.0003980 -1.6449979 40 N -3.3746218 1.2419612 -0.2648964 1.0274147 -2.3811802 -0.0572473 -0.2633535 0.0003980 -1.6449979 41 N -2.9434791 0.5926757 -0.5607083 0.4528130 -1.6993115 -0.4316447 -0.1202345 -0.6449774 -2.8873690 42 N -2.9434791 0.5926757 0.5607083 0.4528130 -1.6993115 0.4316447 0.1202345 0.6449774 -2.8873690 43 N -2.9434791 -0.5926757 -0.5607083 -0.4528130 -1.6993115 0.4316447 -0.1202345 0.6449774 -2.8873690 44 N -2.9434791 -0.5926757 0.5607083 -0.4528130 -1.6993115 -0.4316447 0.1202345 -0.6449774 -2.8873690 45 N -2.9434791 0.5926757 -0.5607083 0.4528130 -1.6993115 -0.4316447 -0.1202345 -0.6449774 -2.8873690 46 N -2.9434791 0.5926757 0.5607083 0.4528130 -1.6993115 0.4316447 0.1202345 0.6449774 -2.8873690 47 N -2.9434791 -0.5926757 -0.5607083 -0.4528130 -1.6993115 0.4316447 -0.1202345 0.6449774 -2.8873690 48 N -2.9434791 -0.5926757 0.5607083 -0.4528130 -1.6993115 -0.4316447 0.1202345 -0.6449774 -2.8873690 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 09:46:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:13]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.674794350000000 Atomic positions (fractional): 1 K 0.84793478589973 0.75000000000000 0.76032462856182 39.098 2 K 0.65206521410027 0.25000000000000 0.26032462856182 39.098 3 K 0.15206521410027 0.25000000000000 0.23967537143818 39.098 4 K 0.34793478589973 0.75000000000000 0.73967537143818 39.098 5 P 0.58897633651479 0.63073413922412 0.28693082678218 30.974 6 P 0.91102366348521 0.36926586077588 0.78693082678218 30.974 7 P 0.41102366348521 0.13073413922412 0.71306917321782 30.974 8 P 0.08897633651479 0.86926586077588 0.21306917321782 30.974 9 P 0.41102366348521 0.36926586077588 0.71306917321782 30.974 10 P 0.08897633651479 0.63073413922412 0.21306917321782 30.974 11 P 0.58897633651479 0.86926586077588 0.28693082678218 30.974 12 P 0.91102366348521 0.13073413922412 0.78693082678218 30.974 13 P 0.84385396053124 0.50039476294796 0.28169562439281 30.974 14 P 0.65614603946876 0.49960523705204 0.78169562439281 30.974 15 P 0.15614603946876 0.00039476294796 0.71830437560718 30.974 16 P 0.34385396053124 0.99960523705204 0.21830437560718 30.974 17 P 0.15614603946876 0.49960523705204 0.71830437560718 30.974 18 P 0.34385396053124 0.50039476294796 0.21830437560718 30.974 19 P 0.84385396053124 0.99960523705204 0.28169562439281 30.974 20 P 0.65614603946876 0.00039476294796 0.78169562439281 30.974 21 N 0.63402587274557 0.75000000000000 0.20147110163059 14.007 22 N 0.86597412725443 0.25000000000000 0.70147110163059 14.007 23 N 0.36597412725443 0.25000000000000 0.79852889836941 14.007 24 N 0.13402587274557 0.75000000000000 0.29852889836941 14.007 25 N 0.61239867931786 0.60696543195808 0.62062481862128 14.007 26 N 0.88760132068214 0.39303456804192 0.12062481862128 14.007 27 N 0.38760132068214 0.10696543195808 0.37937518137872 14.007 28 N 0.11239867931786 0.89303456804192 0.87937518137872 14.007 29 N 0.38760132068214 0.39303456804192 0.37937518137872 14.007 30 N 0.11239867931786 0.60696543195808 0.87937518137872 14.007 31 N 0.61239867931786 0.89303456804192 0.62062481862128 14.007 32 N 0.88760132068214 0.10696543195808 0.12062481862128 14.007 33 N 0.93908273718440 0.60304867966232 0.32274457490632 14.007 34 N 0.56091726281560 0.39695132033768 0.82274457490632 14.007 35 N 0.06091726281560 0.10304867966232 0.67725542509368 14.007 36 N 0.43908273718440 0.89695132033768 0.17725542509368 14.007 37 N 0.06091726281560 0.39695132033768 0.67725542509368 14.007 38 N 0.43908273718440 0.60304867966232 0.17725542509368 14.007 39 N 0.93908273718440 0.89695132033768 0.32274457490632 14.007 40 N 0.56091726281560 0.10304867966232 0.82274457490632 14.007 41 N 0.69977992337643 0.54290572855745 0.11790758587643 14.007 42 N 0.80022007662357 0.45709427144255 0.61790758587643 14.007 43 N 0.30022007662357 0.04290572855745 0.88209241412357 14.007 44 N 0.19977992337643 0.95709427144255 0.38209241412357 14.007 45 N 0.30022007662357 0.45709427144255 0.88209241412357 14.007 46 N 0.19977992337643 0.54290572855745 0.38209241412357 14.007 47 N 0.69977992337643 0.95709427144255 0.11790758587643 14.007 48 N 0.80022007662357 0.04290572855745 0.61790758587643 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.869907550000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.306825750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.024383050000001 Atomic positions (fractional): 1 K 0.84793478589973 0.75000000000000 0.25344154285394 39.098 > 1 2 K 0.84793478589973 0.75000000000000 0.58677487618727 39.098 > 1 3 K 0.84793478589973 0.75000000000000 0.92010820952061 39.098 > 1 4 K 0.65206521410027 0.25000000000000 0.08677487618727 39.098 > 4 5 K 0.65206521410027 0.25000000000000 0.42010820952061 39.098 > 4 6 K 0.65206521410027 0.25000000000000 0.75344154285394 39.098 > 4 7 K 0.15206521410027 0.25000000000000 0.07989179047939 39.098 > 7 8 K 0.15206521410027 0.25000000000000 0.41322512381273 39.098 > 7 9 K 0.15206521410027 0.25000000000000 0.74655845714606 39.098 > 7 10 K 0.34793478589973 0.75000000000000 0.24655845714606 39.098 > 10 11 K 0.34793478589973 0.75000000000000 0.57989179047939 39.098 > 10 12 K 0.34793478589973 0.75000000000000 0.91322512381273 39.098 > 10 13 P 0.58897633651479 0.63073413922412 0.09564360892739 30.974 > 13 14 P 0.58897633651479 0.63073413922412 0.42897694226073 30.974 > 13 15 P 0.58897633651479 0.63073413922412 0.76231027559406 30.974 > 13 16 P 0.91102366348521 0.36926586077588 0.26231027559406 30.974 > 16 17 P 0.91102366348521 0.36926586077588 0.59564360892739 30.974 > 16 18 P 0.91102366348521 0.36926586077588 0.92897694226073 30.974 > 16 19 P 0.41102366348521 0.13073413922412 0.23768972440594 30.974 > 19 20 P 0.41102366348521 0.13073413922412 0.57102305773927 30.974 > 19 21 P 0.41102366348521 0.13073413922412 0.90435639107261 30.974 > 19 22 P 0.08897633651479 0.86926586077588 0.07102305773927 30.974 > 22 23 P 0.08897633651479 0.86926586077588 0.40435639107261 30.974 > 22 24 P 0.08897633651479 0.86926586077588 0.73768972440594 30.974 > 22 25 P 0.41102366348521 0.36926586077588 0.23768972440594 30.974 > 25 26 P 0.41102366348521 0.36926586077588 0.57102305773927 30.974 > 25 27 P 0.41102366348521 0.36926586077588 0.90435639107261 30.974 > 25 28 P 0.08897633651479 0.63073413922412 0.07102305773927 30.974 > 28 29 P 0.08897633651479 0.63073413922412 0.40435639107261 30.974 > 28 30 P 0.08897633651479 0.63073413922412 0.73768972440594 30.974 > 28 31 P 0.58897633651479 0.86926586077588 0.09564360892739 30.974 > 31 32 P 0.58897633651479 0.86926586077588 0.42897694226073 30.974 > 31 33 P 0.58897633651479 0.86926586077588 0.76231027559406 30.974 > 31 34 P 0.91102366348521 0.13073413922412 0.26231027559406 30.974 > 34 35 P 0.91102366348521 0.13073413922412 0.59564360892739 30.974 > 34 36 P 0.91102366348521 0.13073413922412 0.92897694226073 30.974 > 34 37 P 0.84385396053124 0.50039476294796 0.09389854146427 30.974 > 37 38 P 0.84385396053124 0.50039476294796 0.42723187479760 30.974 > 37 39 P 0.84385396053124 0.50039476294796 0.76056520813094 30.974 > 37 40 P 0.65614603946876 0.49960523705204 0.26056520813094 30.974 > 40 41 P 0.65614603946876 0.49960523705204 0.59389854146427 30.974 > 40 42 P 0.65614603946876 0.49960523705204 0.92723187479760 30.974 > 40 43 P 0.15614603946876 0.00039476294796 0.23943479186906 30.974 > 43 44 P 0.15614603946876 0.00039476294796 0.57276812520239 30.974 > 43 45 P 0.15614603946876 0.00039476294796 0.90610145853573 30.974 > 43 46 P 0.34385396053124 0.99960523705204 0.07276812520239 30.974 > 46 47 P 0.34385396053124 0.99960523705204 0.40610145853573 30.974 > 46 48 P 0.34385396053124 0.99960523705204 0.73943479186906 30.974 > 46 49 P 0.15614603946876 0.49960523705204 0.23943479186906 30.974 > 49 50 P 0.15614603946876 0.49960523705204 0.57276812520239 30.974 > 49 51 P 0.15614603946876 0.49960523705204 0.90610145853573 30.974 > 49 52 P 0.34385396053124 0.50039476294796 0.07276812520239 30.974 > 52 53 P 0.34385396053124 0.50039476294796 0.40610145853573 30.974 > 52 54 P 0.34385396053124 0.50039476294796 0.73943479186906 30.974 > 52 55 P 0.84385396053124 0.99960523705204 0.09389854146427 30.974 > 55 56 P 0.84385396053124 0.99960523705204 0.42723187479760 30.974 > 55 57 P 0.84385396053124 0.99960523705204 0.76056520813094 30.974 > 55 58 P 0.65614603946876 0.00039476294796 0.26056520813094 30.974 > 58 59 P 0.65614603946876 0.00039476294796 0.59389854146427 30.974 > 58 60 P 0.65614603946876 0.00039476294796 0.92723187479760 30.974 > 58 61 N 0.63402587274557 0.75000000000000 0.06715703387686 14.007 > 61 62 N 0.63402587274557 0.75000000000000 0.40049036721020 14.007 > 61 63 N 0.63402587274557 0.75000000000000 0.73382370054353 14.007 > 61 64 N 0.86597412725443 0.25000000000000 0.23382370054353 14.007 > 64 65 N 0.86597412725443 0.25000000000000 0.56715703387686 14.007 > 64 66 N 0.86597412725443 0.25000000000000 0.90049036721020 14.007 > 64 67 N 0.36597412725443 0.25000000000000 0.26617629945647 14.007 > 67 68 N 0.36597412725443 0.25000000000000 0.59950963278980 14.007 > 67 69 N 0.36597412725443 0.25000000000000 0.93284296612314 14.007 > 67 70 N 0.13402587274557 0.75000000000000 0.09950963278980 14.007 > 70 71 N 0.13402587274557 0.75000000000000 0.43284296612314 14.007 > 70 72 N 0.13402587274557 0.75000000000000 0.76617629945647 14.007 > 70 73 N 0.61239867931786 0.60696543195808 0.20687493954043 14.007 > 73 74 N 0.61239867931786 0.60696543195808 0.54020827287376 14.007 > 73 75 N 0.61239867931786 0.60696543195808 0.87354160620709 14.007 > 73 76 N 0.88760132068214 0.39303456804192 0.04020827287376 14.007 > 76 77 N 0.88760132068214 0.39303456804192 0.37354160620709 14.007 > 76 78 N 0.88760132068214 0.39303456804192 0.70687493954043 14.007 > 76 79 N 0.38760132068214 0.10696543195808 0.12645839379291 14.007 > 79 80 N 0.38760132068214 0.10696543195808 0.45979172712624 14.007 > 79 81 N 0.38760132068214 0.10696543195808 0.79312506045957 14.007 > 79 82 N 0.11239867931786 0.89303456804192 0.29312506045957 14.007 > 82 83 N 0.11239867931786 0.89303456804192 0.62645839379291 14.007 > 82 84 N 0.11239867931786 0.89303456804192 0.95979172712624 14.007 > 82 85 N 0.38760132068214 0.39303456804192 0.12645839379291 14.007 > 85 86 N 0.38760132068214 0.39303456804192 0.45979172712624 14.007 > 85 87 N 0.38760132068214 0.39303456804192 0.79312506045957 14.007 > 85 88 N 0.11239867931786 0.60696543195808 0.29312506045957 14.007 > 88 89 N 0.11239867931786 0.60696543195808 0.62645839379291 14.007 > 88 90 N 0.11239867931786 0.60696543195808 0.95979172712624 14.007 > 88 91 N 0.61239867931786 0.89303456804192 0.20687493954043 14.007 > 91 92 N 0.61239867931786 0.89303456804192 0.54020827287376 14.007 > 91 93 N 0.61239867931786 0.89303456804192 0.87354160620709 14.007 > 91 94 N 0.88760132068214 0.10696543195808 0.04020827287376 14.007 > 94 95 N 0.88760132068214 0.10696543195808 0.37354160620709 14.007 > 94 96 N 0.88760132068214 0.10696543195808 0.70687493954043 14.007 > 94 97 N 0.93908273718440 0.60304867966232 0.10758152496877 14.007 > 97 98 N 0.93908273718440 0.60304867966232 0.44091485830211 14.007 > 97 99 N 0.93908273718440 0.60304867966232 0.77424819163544 14.007 > 97 100 N 0.56091726281560 0.39695132033768 0.27424819163544 14.007 > 100 101 N 0.56091726281560 0.39695132033768 0.60758152496877 14.007 > 100 102 N 0.56091726281560 0.39695132033768 0.94091485830211 14.007 > 100 103 N 0.06091726281560 0.10304867966232 0.22575180836456 14.007 > 103 104 N 0.06091726281560 0.10304867966232 0.55908514169789 14.007 > 103 105 N 0.06091726281560 0.10304867966232 0.89241847503123 14.007 > 103 106 N 0.43908273718440 0.89695132033768 0.05908514169789 14.007 > 106 107 N 0.43908273718440 0.89695132033768 0.39241847503123 14.007 > 106 108 N 0.43908273718440 0.89695132033768 0.72575180836456 14.007 > 106 109 N 0.06091726281560 0.39695132033768 0.22575180836456 14.007 > 109 110 N 0.06091726281560 0.39695132033768 0.55908514169789 14.007 > 109 111 N 0.06091726281560 0.39695132033768 0.89241847503123 14.007 > 109 112 N 0.43908273718440 0.60304867966232 0.05908514169789 14.007 > 112 113 N 0.43908273718440 0.60304867966232 0.39241847503123 14.007 > 112 114 N 0.43908273718440 0.60304867966232 0.72575180836456 14.007 > 112 115 N 0.93908273718440 0.89695132033768 0.10758152496877 14.007 > 115 116 N 0.93908273718440 0.89695132033768 0.44091485830211 14.007 > 115 117 N 0.93908273718440 0.89695132033768 0.77424819163544 14.007 > 115 118 N 0.56091726281560 0.10304867966232 0.27424819163544 14.007 > 118 119 N 0.56091726281560 0.10304867966232 0.60758152496877 14.007 > 118 120 N 0.56091726281560 0.10304867966232 0.94091485830211 14.007 > 118 121 N 0.69977992337643 0.54290572855745 0.03930252862548 14.007 > 121 122 N 0.69977992337643 0.54290572855745 0.37263586195881 14.007 > 121 123 N 0.69977992337643 0.54290572855745 0.70596919529214 14.007 > 121 124 N 0.80022007662357 0.45709427144255 0.20596919529214 14.007 > 124 125 N 0.80022007662357 0.45709427144255 0.53930252862548 14.007 > 124 126 N 0.80022007662357 0.45709427144255 0.87263586195881 14.007 > 124 127 N 0.30022007662357 0.04290572855745 0.29403080470786 14.007 > 127 128 N 0.30022007662357 0.04290572855745 0.62736413804119 14.007 > 127 129 N 0.30022007662357 0.04290572855745 0.96069747137452 14.007 > 127 130 N 0.19977992337643 0.95709427144255 0.12736413804119 14.007 > 130 131 N 0.19977992337643 0.95709427144255 0.46069747137452 14.007 > 130 132 N 0.19977992337643 0.95709427144255 0.79403080470786 14.007 > 130 133 N 0.30022007662357 0.45709427144255 0.29403080470786 14.007 > 133 134 N 0.30022007662357 0.45709427144255 0.62736413804119 14.007 > 133 135 N 0.30022007662357 0.45709427144255 0.96069747137452 14.007 > 133 136 N 0.19977992337643 0.54290572855745 0.12736413804119 14.007 > 136 137 N 0.19977992337643 0.54290572855745 0.46069747137452 14.007 > 136 138 N 0.19977992337643 0.54290572855745 0.79403080470786 14.007 > 136 139 N 0.69977992337643 0.95709427144255 0.03930252862548 14.007 > 139 140 N 0.69977992337643 0.95709427144255 0.37263586195881 14.007 > 139 141 N 0.69977992337643 0.95709427144255 0.70596919529214 14.007 > 139 142 N 0.80022007662357 0.04290572855745 0.20596919529214 14.007 > 142 143 N 0.80022007662357 0.04290572855745 0.53930252862548 14.007 > 142 144 N 0.80022007662357 0.04290572855745 0.87263586195881 14.007 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1615321 0.0000000 0.0000000 0.0000000 4.1445346 0.0000000 0.0000000 0.0000000 4.0883991 -------------------------- Born effective charges -------------------------- 1 K 1.2868536 0.0000000 -0.0344100 0.0000000 1.3480424 0.0000000 -0.0405681 0.0000000 1.2397416 2 K 1.2868536 0.0000000 0.0344100 0.0000000 1.3480424 0.0000000 0.0405681 0.0000000 1.2397416 3 K 1.2868536 0.0000000 -0.0344100 0.0000000 1.3480424 0.0000000 -0.0405681 0.0000000 1.2397416 4 K 1.2868536 0.0000000 0.0344100 0.0000000 1.3480424 0.0000000 0.0405681 0.0000000 1.2397416 5 P 3.9248885 -0.2460782 0.5229191 0.7870307 4.8270171 -0.7918841 -0.0641031 0.1029146 3.6782802 6 P 3.9248885 -0.2460782 -0.5229191 0.7870307 4.8270171 0.7918841 0.0641031 -0.1029146 3.6782802 7 P 3.9248885 0.2460782 0.5229191 -0.7870307 4.8270171 0.7918841 -0.0641031 -0.1029146 3.6782802 8 P 3.9248885 0.2460782 -0.5229191 -0.7870307 4.8270171 -0.7918841 0.0641031 0.1029146 3.6782802 9 P 3.9248885 -0.2460782 0.5229191 0.7870307 4.8270171 -0.7918841 -0.0641031 0.1029146 3.6782802 10 P 3.9248885 -0.2460782 -0.5229191 0.7870307 4.8270171 0.7918841 0.0641031 -0.1029146 3.6782802 11 P 3.9248885 0.2460782 0.5229191 -0.7870307 4.8270171 0.7918841 -0.0641031 -0.1029146 3.6782802 12 P 3.9248885 0.2460782 -0.5229191 -0.7870307 4.8270171 -0.7918841 0.0641031 0.1029146 3.6782802 13 P 4.2027918 0.5435782 0.2683136 0.0569600 3.1766572 0.0213200 -0.1042436 0.3142320 4.0574705 14 P 4.2027918 0.5435782 -0.2683136 0.0569600 3.1766572 -0.0213200 0.1042436 -0.3142320 4.0574705 15 P 4.2027918 -0.5435782 0.2683136 -0.0569600 3.1766572 -0.0213200 -0.1042436 -0.3142320 4.0574705 16 P 4.2027918 -0.5435782 -0.2683136 -0.0569600 3.1766572 0.0213200 0.1042436 0.3142320 4.0574705 17 P 4.2027918 0.5435782 0.2683136 0.0569600 3.1766572 0.0213200 -0.1042436 0.3142320 4.0574705 18 P 4.2027918 0.5435782 -0.2683136 0.0569600 3.1766572 -0.0213200 0.1042436 -0.3142320 4.0574705 19 P 4.2027918 -0.5435782 0.2683136 -0.0569600 3.1766572 -0.0213200 -0.1042436 -0.3142320 4.0574705 20 P 4.2027918 -0.5435782 -0.2683136 -0.0569600 3.1766572 0.0213200 0.1042436 0.3142320 4.0574705 21 N -1.4875328 0.0000000 0.0551366 0.0000000 -4.6629400 0.0000000 0.0986306 0.0000000 -1.4062424 22 N -1.4875328 0.0000000 -0.0551366 0.0000000 -4.6629400 0.0000000 -0.0986306 0.0000000 -1.4062424 23 N -1.4875328 0.0000000 0.0551366 0.0000000 -4.6629400 0.0000000 0.0986306 0.0000000 -1.4062424 24 N -1.4875328 0.0000000 -0.0551366 0.0000000 -4.6629400 0.0000000 -0.0986306 0.0000000 -1.4062424 25 N -1.7092398 0.3763612 -0.4132706 0.1443813 -2.2657338 1.0124462 -0.3713726 0.9752726 -3.1201335 26 N -1.7092398 0.3763612 0.4132706 0.1443813 -2.2657338 -1.0124462 0.3713726 -0.9752726 -3.1201335 27 N -1.7092398 -0.3763612 -0.4132706 -0.1443813 -2.2657338 -1.0124462 -0.3713726 -0.9752726 -3.1201335 28 N -1.7092398 -0.3763612 0.4132706 -0.1443813 -2.2657338 1.0124462 0.3713726 0.9752726 -3.1201335 29 N -1.7092398 0.3763612 -0.4132706 0.1443813 -2.2657338 1.0124462 -0.3713726 0.9752726 -3.1201335 30 N -1.7092398 0.3763612 0.4132706 0.1443813 -2.2657338 -1.0124462 0.3713726 -0.9752726 -3.1201335 31 N -1.7092398 -0.3763612 -0.4132706 -0.1443813 -2.2657338 -1.0124462 -0.3713726 -0.9752726 -3.1201335 32 N -1.7092398 -0.3763612 0.4132706 -0.1443813 -2.2657338 1.0124462 0.3713726 0.9752726 -3.1201335 33 N -3.3746218 -1.2419612 0.2648964 -1.0274147 -2.3811802 -0.0572473 0.2633535 0.0003980 -1.6449979 34 N -3.3746218 -1.2419612 -0.2648964 -1.0274147 -2.3811802 0.0572473 -0.2633535 -0.0003980 -1.6449979 35 N -3.3746218 1.2419612 0.2648964 1.0274147 -2.3811802 0.0572473 0.2633535 -0.0003980 -1.6449979 36 N -3.3746218 1.2419612 -0.2648964 1.0274147 -2.3811802 -0.0572473 -0.2633535 0.0003980 -1.6449979 37 N -3.3746218 -1.2419612 0.2648964 -1.0274147 -2.3811802 -0.0572473 0.2633535 0.0003980 -1.6449979 38 N -3.3746218 -1.2419612 -0.2648964 -1.0274147 -2.3811802 0.0572473 -0.2633535 -0.0003980 -1.6449979 39 N -3.3746218 1.2419612 0.2648964 1.0274147 -2.3811802 0.0572473 0.2633535 -0.0003980 -1.6449979 40 N -3.3746218 1.2419612 -0.2648964 1.0274147 -2.3811802 -0.0572473 -0.2633535 0.0003980 -1.6449979 41 N -2.9434791 0.5926757 -0.5607083 0.4528130 -1.6993115 -0.4316447 -0.1202345 -0.6449774 -2.8873690 42 N -2.9434791 0.5926757 0.5607083 0.4528130 -1.6993115 0.4316447 0.1202345 0.6449774 -2.8873690 43 N -2.9434791 -0.5926757 -0.5607083 -0.4528130 -1.6993115 0.4316447 -0.1202345 0.6449774 -2.8873690 44 N -2.9434791 -0.5926757 0.5607083 -0.4528130 -1.6993115 -0.4316447 0.1202345 -0.6449774 -2.8873690 45 N -2.9434791 0.5926757 -0.5607083 0.4528130 -1.6993115 -0.4316447 -0.1202345 -0.6449774 -2.8873690 46 N -2.9434791 0.5926757 0.5607083 0.4528130 -1.6993115 0.4316447 0.1202345 0.6449774 -2.8873690 47 N -2.9434791 -0.5926757 -0.5607083 -0.4528130 -1.6993115 0.4316447 -0.1202345 0.6449774 -2.8873690 48 N -2.9434791 -0.5926757 0.5607083 -0.4528130 -1.6993115 -0.4316447 0.1202345 -0.6449774 -2.8873690 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- 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 ... [ 5 4 11 ] 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: 0.50, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 8.738 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.916 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.029 ( 0.000 0.000 0.000) 0.000 11.075 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.094 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 0.000 0.000) 0.000 13.411 ( 0.000 0.000 0.000) 0.000 13.613 ( 0.000 0.000 0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000 13.803 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.817 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 14.566 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 16.161 ( 0.000 0.000 0.000) 0.000 16.427 ( 0.000 0.000 0.000) 0.000 16.931 ( 0.000 0.000 0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 0.000) 0.000 19.034 ( 0.000 0.000 0.000) 0.000 19.379 ( 0.000 0.000 0.000) 0.000 20.520 ( 0.000 0.000 0.000) 0.000 20.558 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.812 ( 0.000 0.000 0.000) 0.000 21.872 ( 0.000 0.000 0.000) 0.000 21.984 ( 0.000 0.000 0.000) 0.000 22.153 ( 0.000 0.000 0.000) 0.000 22.283 ( 0.000 0.000 0.000) 0.000 22.972 ( 0.000 0.000 0.000) 0.000 23.147 ( 0.000 0.000 0.000) 0.000 23.191 ( 0.000 0.000 0.000) 0.000 23.358 ( 0.000 0.000 0.000) 0.000 24.142 ( 0.000 0.000 0.000) 0.000 24.305 ( 0.000 0.000 0.000) 0.000 24.320 ( 0.000 0.000 0.000) 0.000 24.478 ( 0.000 0.000 0.000) 0.000 24.903 ( 0.000 0.000 0.000) 0.000 24.976 ( 0.000 0.000 0.000) 0.000 25.147 ( 0.000 0.000 0.000) 0.000 25.159 ( 0.000 0.000 0.000) 0.000 25.162 ( 0.000 0.000 0.000) 0.000 25.422 ( 0.000 0.000 0.000) 0.000 25.720 ( 0.000 0.000 0.000) 0.000 26.307 ( 0.000 0.000 0.000) 0.000 26.444 ( 0.000 0.000 0.000) 0.000 26.942 ( 0.000 0.000 0.000) 0.000 27.076 ( 0.000 0.000 0.000) 0.000 27.330 ( 0.000 0.000 0.000) 0.000 27.341 ( 0.000 0.000 0.000) 0.000 27.620 ( 0.000 0.000 0.000) 0.000 27.887 ( 0.000 0.000 0.000) 0.000 27.987 ( 0.000 0.000 0.000) 0.000 28.083 ( 0.000 0.000 0.000) 0.000 28.565 ( 0.000 0.000 0.000) 0.000 30.082 ( 0.000 0.000 0.000) 0.000 34.701 ( 0.000 0.000 0.000) 0.000 35.025 ( 0.000 0.000 0.000) 0.000 35.046 ( 0.000 0.000 0.000) 0.000 35.174 ( 0.000 0.000 0.000) 0.000 35.241 ( 0.000 0.000 0.000) 0.000 35.265 ( 0.000 0.000 0.000) 0.000 35.278 ( 0.000 0.000 0.000) 0.000 35.542 ( 0.000 0.000 0.000) 0.000 35.550 ( 0.000 0.000 0.000) 0.000 35.749 ( 0.000 0.000 0.000) 0.000 36.290 ( 0.000 0.000 0.000) 0.000 36.424 ( 0.000 0.000 0.000) 0.000 36.743 ( 0.000 0.000 0.000) 0.000 36.878 ( 0.000 0.000 0.000) 0.000 38.048 ( 0.000 0.000 0.000) 0.000 38.555 ( 0.000 0.000 0.000) 0.000 39.002 ( 0.000 0.000 0.000) 0.000 39.300 ( 0.000 0.000 0.000) 0.000 39.311 ( 0.000 0.000 0.000) 0.000 39.712 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 47.434 0.000 0.000) 47.434 1.082 ( 52.013 0.000 0.000) 52.013 1.720 ( 77.390 0.000 0.000) 77.390 2.721 ( 4.992 0.000 0.000) 4.992 2.862 ( 0.825 0.000 0.000) 0.825 3.128 ( -6.946 0.000 0.000) 6.946 3.142 ( 4.522 0.000 0.000) 4.522 3.177 ( -2.207 0.000 0.000) 2.207 3.223 ( 0.049 0.000 0.000) 0.049 3.291 ( 1.797 0.000 0.000) 1.797 3.352 ( -1.523 0.000 0.000) 1.523 3.403 ( 6.218 0.000 0.000) 6.218 3.468 ( -0.936 0.000 0.000) 0.936 3.597 ( 1.744 0.000 0.000) 1.744 3.714 ( 4.751 0.000 0.000) 4.751 3.764 ( -2.122 0.000 0.000) 2.122 3.802 ( -5.875 0.000 0.000) 5.875 3.867 ( 4.343 0.000 0.000) 4.343 4.162 ( -23.809 0.000 0.000) 23.809 4.179 ( 37.883 0.000 0.000) 37.883 4.419 ( 3.937 0.000 0.000) 3.937 4.939 ( 3.329 0.000 0.000) 3.329 5.002 ( 3.525 0.000 0.000) 3.525 5.032 ( 2.049 0.000 0.000) 2.049 5.505 ( -7.704 0.000 0.000) 7.704 5.555 ( 14.364 0.000 0.000) 14.364 5.773 ( -14.312 0.000 0.000) 14.312 5.962 ( -6.190 0.000 0.000) 6.190 6.054 ( -21.445 0.000 0.000) 21.445 6.116 ( 5.349 0.000 0.000) 5.349 6.806 ( 37.661 0.000 0.000) 37.661 6.960 ( -30.736 0.000 0.000) 30.736 7.417 ( 19.598 0.000 0.000) 19.598 7.695 ( -14.089 0.000 0.000) 14.089 7.704 ( -41.815 0.000 0.000) 41.815 8.247 ( -19.608 0.000 0.000) 19.608 8.854 ( -7.107 0.000 0.000) 7.107 9.002 ( 17.406 0.000 0.000) 17.406 9.034 ( -4.839 0.000 0.000) 4.839 9.104 ( -8.577 0.000 0.000) 8.577 9.256 ( -32.757 0.000 0.000) 32.757 9.310 ( -7.617 0.000 0.000) 7.617 9.759 ( 3.343 0.000 0.000) 3.343 9.914 ( 12.290 0.000 0.000) 12.290 10.237 ( 15.635 0.000 0.000) 15.635 10.274 ( 19.611 0.000 0.000) 19.611 10.415 ( -0.627 0.000 0.000) 0.627 10.444 ( -1.031 0.000 0.000) 1.031 10.951 ( -8.298 0.000 0.000) 8.298 10.952 ( -3.449 0.000 0.000) 3.449 11.056 ( 7.153 0.000 0.000) 7.153 11.160 ( -5.638 0.000 0.000) 5.638 11.226 ( 9.679 0.000 0.000) 9.679 11.678 ( -2.172 0.000 0.000) 2.172 11.796 ( -7.243 0.000 0.000) 7.243 11.974 ( 18.422 0.000 0.000) 18.422 12.099 ( -3.586 0.000 0.000) 3.586 12.143 ( 10.580 0.000 0.000) 10.580 12.451 ( 3.680 0.000 0.000) 3.680 12.840 ( -4.789 0.000 0.000) 4.789 13.038 ( -12.894 0.000 0.000) 12.894 13.115 ( -11.538 0.000 0.000) 11.538 13.215 ( 2.975 0.000 0.000) 2.975 13.443 ( 0.736 0.000 0.000) 0.736 13.492 ( -7.828 0.000 0.000) 7.828 13.713 ( 0.765 0.000 0.000) 0.765 13.846 ( 12.436 0.000 0.000) 12.436 13.868 ( -2.469 0.000 0.000) 2.469 13.993 ( 13.463 0.000 0.000) 13.463 14.173 ( 5.097 0.000 0.000) 5.097 14.322 ( -4.361 0.000 0.000) 4.361 14.363 ( 1.214 0.000 0.000) 1.214 14.471 ( -3.979 0.000 0.000) 3.979 14.482 ( 11.019 0.000 0.000) 11.019 14.495 ( -0.457 0.000 0.000) 0.457 14.645 ( 5.584 0.000 0.000) 5.584 14.924 ( -0.152 0.000 0.000) 0.152 15.257 ( 6.058 0.000 0.000) 6.058 15.895 ( -11.898 0.000 0.000) 11.898 15.908 ( -21.816 0.000 0.000) 21.816 16.555 ( 9.363 0.000 0.000) 9.363 16.962 ( 2.105 0.000 0.000) 2.105 17.026 ( -5.066 0.000 0.000) 5.066 17.145 ( -3.291 0.000 0.000) 3.291 18.238 ( 16.868 0.000 0.000) 16.868 18.276 ( 16.080 0.000 0.000) 16.080 19.002 ( -3.422 0.000 0.000) 3.422 19.503 ( -10.569 0.000 0.000) 10.569 20.562 ( 0.650 0.000 0.000) 0.650 20.563 ( 4.673 0.000 0.000) 4.673 21.008 ( -14.630 0.000 0.000) 14.630 21.008 ( 5.712 0.000 0.000) 5.712 21.480 ( -19.976 0.000 0.000) 19.976 21.800 ( -15.586 0.000 0.000) 15.586 22.085 ( 8.928 0.000 0.000) 8.928 22.284 ( -0.042 0.000 0.000) 0.042 22.383 ( 11.010 0.000 0.000) 11.010 22.931 ( -4.062 0.000 0.000) 4.062 23.146 ( -0.005 0.000 0.000) 0.005 23.182 ( -0.778 0.000 0.000) 0.778 23.479 ( 9.954 0.000 0.000) 9.954 24.068 ( -6.488 0.000 0.000) 6.488 24.312 ( 0.560 0.000 0.000) 0.560 24.321 ( 0.099 0.000 0.000) 0.099 24.531 ( 4.542 0.000 0.000) 4.542 24.912 ( -5.788 0.000 0.000) 5.788 24.924 ( 1.993 0.000 0.000) 1.993 25.126 ( -3.040 0.000 0.000) 3.040 25.165 ( 1.593 0.000 0.000) 1.593 25.179 ( 1.750 0.000 0.000) 1.750 25.486 ( 5.081 0.000 0.000) 5.081 25.705 ( -1.459 0.000 0.000) 1.459 26.557 ( 22.913 0.000 0.000) 22.913 26.945 ( 1.121 0.000 0.000) 1.121 27.071 ( -0.581 0.000 0.000) 0.581 27.280 ( -1.654 0.000 0.000) 1.654 27.439 ( 9.506 0.000 0.000) 9.506 27.571 ( -4.680 0.000 0.000) 4.680 27.741 ( 13.811 0.000 0.000) 13.811 27.911 ( -7.514 0.000 0.000) 7.514 28.100 ( 1.316 0.000 0.000) 1.316 28.409 ( -14.894 0.000 0.000) 14.894 30.066 ( -1.383 0.000 0.000) 1.383 30.170 ( -4.333 0.000 0.000) 4.333 34.738 ( 3.674 0.000 0.000) 3.674 35.033 ( 0.736 0.000 0.000) 0.736 35.046 ( -0.171 0.000 0.000) 0.171 35.135 ( -4.087 0.000 0.000) 4.087 35.243 ( 0.197 0.000 0.000) 0.197 35.262 ( -0.242 0.000 0.000) 0.242 35.284 ( 0.576 0.000 0.000) 0.576 35.417 ( -6.436 0.000 0.000) 6.436 35.953 ( 14.296 0.000 0.000) 14.296 36.290 ( 0.111 0.000 0.000) 0.111 36.391 ( -2.777 0.000 0.000) 2.777 36.684 ( -5.734 0.000 0.000) 5.734 36.941 ( 5.428 0.000 0.000) 5.428 37.226 ( -1.623 0.000 0.000) 1.623 38.105 ( 5.407 0.000 0.000) 5.407 38.518 ( -3.672 0.000 0.000) 3.672 39.320 ( 1.129 0.000 0.000) 1.129 39.326 ( 2.657 0.000 0.000) 2.657 39.640 ( -6.505 0.000 0.000) 6.505 39.769 ( -7.854 0.000 0.000) 7.854 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 49.165 0.000 0.000) 49.165 2.074 ( 44.682 0.000 0.000) 44.682 2.691 ( 11.607 0.000 0.000) 11.607 2.824 ( -24.811 0.000 0.000) 24.811 2.838 ( -3.841 0.000 0.000) 3.841 2.875 ( -40.119 0.000 0.000) 40.119 3.019 ( 21.106 0.000 0.000) 21.106 3.153 ( -0.220 0.000 0.000) 0.220 3.231 ( 1.649 0.000 0.000) 1.649 3.300 ( 4.544 0.000 0.000) 4.544 3.309 ( -3.147 0.000 0.000) 3.147 3.414 ( -5.071 0.000 0.000) 5.071 3.452 ( 0.054 0.000 0.000) 0.054 3.520 ( -7.043 0.000 0.000) 7.043 3.618 ( 1.650 0.000 0.000) 1.650 3.702 ( -4.285 0.000 0.000) 4.285 4.019 ( 9.758 0.000 0.000) 9.758 4.034 ( 30.230 0.000 0.000) 30.230 4.083 ( 3.484 0.000 0.000) 3.484 4.453 ( -5.050 0.000 0.000) 5.050 4.970 ( 22.879 0.000 0.000) 22.879 5.029 ( 1.896 0.000 0.000) 1.896 5.128 ( 8.918 0.000 0.000) 8.918 5.140 ( 17.238 0.000 0.000) 17.238 5.418 ( -18.220 0.000 0.000) 18.220 5.645 ( 20.841 0.000 0.000) 20.841 5.653 ( -26.104 0.000 0.000) 26.104 5.722 ( 5.644 0.000 0.000) 5.644 6.029 ( 27.572 0.000 0.000) 27.572 6.076 ( -12.438 0.000 0.000) 12.438 6.247 ( -36.086 0.000 0.000) 36.086 6.799 ( -45.512 0.000 0.000) 45.512 7.496 ( -3.416 0.000 0.000) 3.416 7.626 ( 42.187 0.000 0.000) 42.187 7.655 ( -21.684 0.000 0.000) 21.684 7.859 ( 24.175 0.000 0.000) 24.175 8.432 ( -32.611 0.000 0.000) 32.611 8.484 ( -41.536 0.000 0.000) 41.536 9.074 ( 14.174 0.000 0.000) 14.174 9.094 ( -0.856 0.000 0.000) 0.856 9.151 ( -6.454 0.000 0.000) 6.454 9.224 ( 1.701 0.000 0.000) 1.701 10.027 ( 16.878 0.000 0.000) 16.878 10.321 ( -11.169 0.000 0.000) 11.169 10.326 ( 24.102 0.000 0.000) 24.102 10.405 ( 6.165 0.000 0.000) 6.165 10.437 ( 2.290 0.000 0.000) 2.290 10.616 ( 8.902 0.000 0.000) 8.902 10.764 ( -8.728 0.000 0.000) 8.728 10.774 ( -17.360 0.000 0.000) 17.360 11.086 ( 1.091 0.000 0.000) 1.091 11.118 ( -0.358 0.000 0.000) 0.358 11.501 ( 16.814 0.000 0.000) 16.814 11.628 ( -2.147 0.000 0.000) 2.147 11.643 ( -4.918 0.000 0.000) 4.918 11.864 ( -17.255 0.000 0.000) 17.255 12.385 ( 17.552 0.000 0.000) 17.552 12.385 ( 11.693 0.000 0.000) 11.693 12.597 ( 9.175 0.000 0.000) 9.175 12.704 ( -6.645 0.000 0.000) 6.645 12.797 ( -10.726 0.000 0.000) 10.726 12.841 ( -14.899 0.000 0.000) 14.899 13.402 ( -1.035 0.000 0.000) 1.035 13.423 ( -2.054 0.000 0.000) 2.054 13.435 ( 16.923 0.000 0.000) 16.923 13.733 ( 1.402 0.000 0.000) 1.402 13.782 ( -3.715 0.000 0.000) 3.715 13.791 ( -15.201 0.000 0.000) 15.201 14.248 ( 10.058 0.000 0.000) 10.058 14.295 ( 4.900 0.000 0.000) 4.900 14.344 ( 1.627 0.000 0.000) 1.627 14.382 ( -4.305 0.000 0.000) 4.305 14.424 ( 2.815 0.000 0.000) 2.815 14.472 ( -1.906 0.000 0.000) 1.906 14.713 ( 10.953 0.000 0.000) 10.953 14.875 ( 20.093 0.000 0.000) 20.093 14.880 ( -4.960 0.000 0.000) 4.960 15.389 ( -27.529 0.000 0.000) 27.529 15.420 ( 9.623 0.000 0.000) 9.623 15.642 ( -12.209 0.000 0.000) 12.209 16.742 ( 8.647 0.000 0.000) 8.647 16.901 ( -7.061 0.000 0.000) 7.061 17.006 ( 2.435 0.000 0.000) 2.435 17.069 ( -3.748 0.000 0.000) 3.748 18.605 ( 17.062 0.000 0.000) 17.062 18.695 ( 23.818 0.000 0.000) 23.818 18.877 ( -9.468 0.000 0.000) 9.468 19.172 ( -21.409 0.000 0.000) 21.409 20.600 ( 3.627 0.000 0.000) 3.627 20.732 ( 12.490 0.000 0.000) 12.490 20.736 ( -10.360 0.000 0.000) 10.360 21.066 ( -19.666 0.000 0.000) 19.666 21.181 ( 11.326 0.000 0.000) 11.326 21.462 ( -16.107 0.000 0.000) 16.107 22.217 ( 4.348 0.000 0.000) 4.348 22.272 ( -1.367 0.000 0.000) 1.367 22.616 ( 10.987 0.000 0.000) 10.987 22.809 ( -7.883 0.000 0.000) 7.883 23.150 ( 0.417 0.000 0.000) 0.417 23.164 ( -0.924 0.000 0.000) 0.924 23.697 ( 10.858 0.000 0.000) 10.858 23.904 ( -9.357 0.000 0.000) 9.357 24.321 ( 0.289 0.000 0.000) 0.289 24.323 ( 0.044 0.000 0.000) 0.044 24.641 ( 6.146 0.000 0.000) 6.146 24.776 ( -7.010 0.000 0.000) 7.010 24.980 ( 3.382 0.000 0.000) 3.382 25.054 ( -3.808 0.000 0.000) 3.808 25.199 ( 1.465 0.000 0.000) 1.465 25.209 ( 0.689 0.000 0.000) 0.689 25.587 ( 4.436 0.000 0.000) 4.436 25.661 ( -2.883 0.000 0.000) 2.883 26.982 ( 4.192 0.000 0.000) 4.192 27.044 ( -2.225 0.000 0.000) 2.225 27.142 ( 29.533 0.000 0.000) 29.533 27.316 ( 4.815 0.000 0.000) 4.815 27.445 ( -7.093 0.000 0.000) 7.093 27.662 ( -18.503 0.000 0.000) 18.503 27.677 ( 13.762 0.000 0.000) 13.762 27.994 ( 9.664 0.000 0.000) 9.664 28.021 ( -20.491 0.000 0.000) 20.491 28.107 ( -1.731 0.000 0.000) 1.731 30.044 ( -0.125 0.000 0.000) 0.125 30.080 ( -3.646 0.000 0.000) 3.646 34.844 ( 6.565 0.000 0.000) 6.565 34.988 ( -6.800 0.000 0.000) 6.800 35.049 ( 0.730 0.000 0.000) 0.730 35.063 ( -0.965 0.000 0.000) 0.965 35.248 ( 0.346 0.000 0.000) 0.346 35.256 ( -0.375 0.000 0.000) 0.375 35.301 ( 1.127 0.000 0.000) 1.127 35.334 ( -2.351 0.000 0.000) 2.351 36.252 ( 14.446 0.000 0.000) 14.446 36.300 ( 1.023 0.000 0.000) 1.023 36.335 ( -2.397 0.000 0.000) 2.397 36.514 ( -10.955 0.000 0.000) 10.955 37.065 ( 6.117 0.000 0.000) 6.117 37.170 ( -4.005 0.000 0.000) 4.005 38.248 ( 8.132 0.000 0.000) 8.132 38.408 ( -7.028 0.000 0.000) 7.028 39.369 ( 4.027 0.000 0.000) 4.027 39.416 ( 6.383 0.000 0.000) 6.383 39.488 ( -7.400 0.000 0.000) 7.400 39.581 ( -9.557 0.000 0.000) 9.557 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 46.321 0.000) 46.321 1.026 ( 0.000 49.425 0.000) 49.425 1.751 ( 0.000 79.951 0.000) 79.951 2.636 ( 0.000 -31.957 0.000) 31.957 2.638 ( 0.000 -9.237 0.000) 9.237 2.870 ( 0.000 0.765 0.000) 0.765 3.081 ( 0.000 -11.888 0.000) 11.888 3.156 ( 0.000 -6.201 0.000) 6.201 3.162 ( 0.000 -4.897 0.000) 4.897 3.236 ( 0.000 -1.977 0.000) 1.977 3.249 ( 0.000 0.707 0.000) 0.707 3.254 ( 0.000 -1.222 0.000) 1.222 3.343 ( 0.000 -2.426 0.000) 2.426 3.543 ( 0.000 5.212 0.000) 5.212 3.556 ( 0.000 0.342 0.000) 0.342 3.647 ( 0.000 -0.004 0.000) 0.004 3.749 ( 0.000 -4.039 0.000) 4.039 3.859 ( 0.000 -9.025 0.000) 9.025 4.189 ( 0.000 7.879 0.000) 7.879 4.277 ( 0.000 -5.810 0.000) 5.810 4.669 ( 0.000 -16.894 0.000) 16.894 4.952 ( 0.000 22.063 0.000) 22.063 5.053 ( 0.000 11.181 0.000) 11.181 5.227 ( 0.000 -28.288 0.000) 28.288 5.482 ( 0.000 39.531 0.000) 39.531 5.489 ( 0.000 -15.803 0.000) 15.803 5.589 ( 0.000 -17.699 0.000) 17.699 5.742 ( 0.000 -1.386 0.000) 1.386 5.883 ( 0.000 -14.928 0.000) 14.928 6.656 ( 0.000 18.292 0.000) 18.292 6.740 ( 0.000 17.539 0.000) 17.539 7.143 ( 0.000 -3.767 0.000) 3.767 7.471 ( 0.000 12.869 0.000) 12.869 8.006 ( 0.000 -11.379 0.000) 11.379 8.190 ( 0.000 25.622 0.000) 25.622 8.204 ( 0.000 -12.918 0.000) 12.918 8.649 ( 0.000 -5.372 0.000) 5.372 8.732 ( 0.000 1.060 0.000) 1.060 9.172 ( 0.000 -8.284 0.000) 8.284 9.275 ( 0.000 -20.152 0.000) 20.152 9.359 ( 0.000 -14.267 0.000) 14.267 9.637 ( 0.000 4.777 0.000) 4.777 9.664 ( 0.000 1.384 0.000) 1.384 9.696 ( 0.000 0.092 0.000) 0.092 9.844 ( 0.000 -7.896 0.000) 7.896 9.941 ( 0.000 -39.233 0.000) 39.233 10.479 ( 0.000 25.214 0.000) 25.214 10.608 ( 0.000 13.023 0.000) 13.023 10.919 ( 0.000 -0.422 0.000) 0.422 11.018 ( 0.000 6.441 0.000) 6.441 11.102 ( 0.000 1.468 0.000) 1.468 11.174 ( 0.000 -0.596 0.000) 0.596 11.439 ( 0.000 32.787 0.000) 32.787 11.661 ( 0.000 -6.350 0.000) 6.350 11.692 ( 0.000 -13.681 0.000) 13.681 12.108 ( 0.000 8.767 0.000) 8.767 12.127 ( 0.000 34.460 0.000) 34.460 12.256 ( 0.000 9.737 0.000) 9.737 12.460 ( 0.000 1.372 0.000) 1.372 12.873 ( 0.000 -19.963 0.000) 19.963 12.990 ( 0.000 -29.469 0.000) 29.469 12.993 ( 0.000 9.499 0.000) 9.499 13.263 ( 0.000 3.959 0.000) 3.959 13.438 ( 0.000 -16.723 0.000) 16.723 13.478 ( 0.000 -12.784 0.000) 12.784 13.692 ( 0.000 3.544 0.000) 3.544 13.765 ( 0.000 -10.422 0.000) 10.422 13.797 ( 0.000 -1.209 0.000) 1.209 13.849 ( 0.000 4.247 0.000) 4.247 13.932 ( 0.000 20.568 0.000) 20.568 14.052 ( 0.000 -6.673 0.000) 6.673 14.296 ( 0.000 -0.731 0.000) 0.731 14.400 ( 0.000 -7.378 0.000) 7.378 14.425 ( 0.000 -1.534 0.000) 1.534 14.590 ( 0.000 2.558 0.000) 2.558 14.892 ( 0.000 -4.911 0.000) 4.911 15.242 ( 0.000 -2.263 0.000) 2.263 15.294 ( 0.000 -13.873 0.000) 13.873 15.529 ( 0.000 27.246 0.000) 27.246 16.394 ( 0.000 19.449 0.000) 19.449 16.665 ( 0.000 16.724 0.000) 16.724 16.665 ( 0.000 -21.734 0.000) 21.734 17.059 ( 0.000 -6.224 0.000) 6.224 17.131 ( 0.000 -5.182 0.000) 5.182 18.043 ( 0.000 0.297 0.000) 0.297 18.087 ( 0.000 -1.294 0.000) 1.294 19.170 ( 0.000 3.388 0.000) 3.388 19.344 ( 0.000 -3.334 0.000) 3.334 20.486 ( 0.000 -1.410 0.000) 1.410 20.535 ( 0.000 -2.053 0.000) 2.053 21.191 ( 0.000 20.794 0.000) 20.794 21.252 ( 0.000 5.737 0.000) 5.737 21.628 ( 0.000 -11.281 0.000) 11.281 21.968 ( 0.000 2.884 0.000) 2.884 22.113 ( 0.000 -1.901 0.000) 1.901 22.140 ( 0.000 -15.209 0.000) 15.209 22.209 ( 0.000 13.449 0.000) 13.449 22.884 ( 0.000 -18.605 0.000) 18.605 22.950 ( 0.000 -1.829 0.000) 1.829 23.020 ( 0.000 -9.831 0.000) 9.831 23.699 ( 0.000 18.799 0.000) 18.799 24.193 ( 0.000 3.892 0.000) 3.892 24.243 ( 0.000 -6.305 0.000) 6.305 24.415 ( 0.000 -5.360 0.000) 5.360 24.613 ( 0.000 23.969 0.000) 23.969 24.954 ( 0.000 4.248 0.000) 4.248 24.985 ( 0.000 1.003 0.000) 1.003 25.095 ( 0.000 -3.739 0.000) 3.739 25.122 ( 0.000 -2.422 0.000) 2.422 25.222 ( 0.000 3.623 0.000) 3.623 25.388 ( 0.000 -3.141 0.000) 3.141 25.552 ( 0.000 -15.621 0.000) 15.621 26.343 ( 0.000 1.720 0.000) 1.720 26.427 ( 0.000 -1.556 0.000) 1.556 27.197 ( 0.000 10.277 0.000) 10.277 27.332 ( 0.000 0.149 0.000) 0.149 27.340 ( 0.000 -0.157 0.000) 0.157 27.568 ( 0.000 -5.070 0.000) 5.070 27.843 ( 0.000 0.701 0.000) 0.701 27.879 ( 0.000 -0.704 0.000) 0.704 27.991 ( 0.000 0.454 0.000) 0.454 28.050 ( 0.000 -2.419 0.000) 2.419 28.752 ( 0.000 17.587 0.000) 17.587 29.810 ( 0.000 -24.279 0.000) 24.279 34.728 ( 0.000 2.633 0.000) 2.633 34.919 ( 0.000 -6.561 0.000) 6.561 35.188 ( 0.000 1.223 0.000) 1.223 35.251 ( 0.000 -1.274 0.000) 1.274 35.299 ( 0.000 1.940 0.000) 1.940 35.326 ( 0.000 3.673 0.000) 3.673 35.510 ( 0.000 0.736 0.000) 0.736 35.544 ( 0.000 -0.583 0.000) 0.583 35.817 ( 0.000 6.489 0.000) 6.489 36.196 ( 0.000 -8.411 0.000) 8.411 36.622 ( 0.000 15.428 0.000) 15.428 36.797 ( 0.000 8.409 0.000) 8.409 36.849 ( 0.000 -2.701 0.000) 2.701 37.806 ( 0.000 -21.916 0.000) 21.916 38.498 ( 0.000 8.501 0.000) 8.501 38.913 ( 0.000 -8.120 0.000) 8.120 39.337 ( 0.000 2.140 0.000) 2.140 39.342 ( 0.000 2.797 0.000) 2.797 39.763 ( 0.000 4.370 0.000) 4.370 39.941 ( 0.000 -2.855 0.000) 2.855 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 38.604 29.937 0.000) 48.852 1.501 ( 30.925 37.202 0.000) 48.377 2.303 ( 45.281 46.873 0.000) 65.173 2.702 ( 5.204 -3.795 0.000) 6.440 2.791 ( 12.941 -23.698 0.000) 27.001 2.885 ( 1.748 -3.008 0.000) 3.479 3.125 ( -4.081 -1.305 0.000) 4.285 3.158 ( -0.049 -4.541 0.000) 4.541 3.164 ( 5.063 -1.630 0.000) 5.319 3.202 ( -4.085 -2.410 0.000) 4.743 3.300 ( -4.989 -4.144 0.000) 6.486 3.383 ( 14.855 -3.801 0.000) 15.334 3.431 ( 12.837 -8.466 0.000) 15.377 3.534 ( -1.058 5.143 0.000) 5.250 3.619 ( -2.431 -0.178 0.000) 2.438 3.753 ( -1.164 -3.853 0.000) 4.025 3.755 ( 0.397 -4.337 0.000) 4.355 4.027 ( 25.987 -9.500 0.000) 27.669 4.071 ( -2.951 10.517 0.000) 10.923 4.112 ( -16.171 -1.186 0.000) 16.214 4.440 ( -9.301 -8.494 0.000) 12.596 5.006 ( 0.517 10.710 0.000) 10.723 5.046 ( 2.193 8.077 0.000) 8.370 5.158 ( -4.442 -32.273 0.000) 32.577 5.320 ( -5.906 3.415 0.000) 6.822 5.507 ( -7.279 -9.536 0.000) 11.997 5.724 ( 12.176 0.544 0.000) 12.188 5.787 ( 14.300 18.473 0.000) 23.361 5.929 ( -4.148 -8.354 0.000) 9.327 6.642 ( -3.718 21.278 0.000) 21.600 6.990 ( 26.066 14.570 0.000) 29.862 7.056 ( -32.506 8.580 0.000) 33.620 7.404 ( 20.436 -2.902 0.000) 20.641 7.589 ( -38.122 -8.751 0.000) 39.113 7.939 ( -17.474 23.318 0.000) 29.139 8.075 ( -14.777 -10.840 0.000) 18.327 8.652 ( -16.262 -18.472 0.000) 24.610 8.871 ( 3.434 -10.423 0.000) 10.974 9.084 ( -9.143 2.794 0.000) 9.560 9.133 ( 2.912 1.133 0.000) 3.125 9.274 ( -28.176 2.556 0.000) 28.292 9.283 ( 0.404 -3.898 0.000) 3.919 9.611 ( -2.911 -12.259 0.000) 12.600 9.845 ( 13.347 -1.977 0.000) 13.492 9.973 ( 1.772 -35.315 0.000) 35.359 10.085 ( 20.701 -11.819 0.000) 23.838 10.486 ( 2.750 18.183 0.000) 18.389 10.546 ( -4.808 12.706 0.000) 13.585 10.919 ( -4.091 -0.013 0.000) 4.091 11.032 ( -4.474 1.650 0.000) 4.769 11.145 ( -5.814 -2.751 0.000) 6.432 11.175 ( 3.362 -0.611 0.000) 3.417 11.513 ( 7.598 27.769 0.000) 28.789 11.631 ( 3.900 -2.520 0.000) 4.643 11.919 ( 15.771 -4.564 0.000) 16.418 12.058 ( -2.725 23.343 0.000) 23.502 12.268 ( -0.206 10.975 0.000) 10.977 12.286 ( 10.049 16.133 0.000) 19.007 12.558 ( 8.136 6.254 0.000) 10.262 12.727 ( -11.018 -17.945 0.000) 21.058 12.958 ( -2.340 9.860 0.000) 10.134 13.021 ( 5.420 -22.569 0.000) 23.211 13.188 ( -4.360 -3.925 0.000) 5.866 13.362 ( -6.616 -3.359 0.000) 7.420 13.370 ( -5.655 -6.725 0.000) 8.786 13.581 ( -3.202 -6.841 0.000) 7.553 13.805 ( 0.269 -12.675 0.000) 12.678 13.811 ( -1.565 -10.975 0.000) 11.086 13.933 ( 3.928 0.051 0.000) 3.928 14.098 ( 3.128 9.903 0.000) 10.385 14.129 ( 8.505 -2.449 0.000) 8.851 14.369 ( 6.133 -3.487 0.000) 7.055 14.388 ( -0.984 0.707 0.000) 1.211 14.466 ( 7.276 -5.308 0.000) 9.006 14.679 ( 7.493 4.002 0.000) 8.495 14.863 ( -3.461 3.196 0.000) 4.711 15.024 ( -1.598 11.572 0.000) 11.682 15.545 ( 1.070 24.199 0.000) 24.223 15.786 ( 15.066 -22.872 0.000) 27.388 16.149 ( -18.414 17.012 0.000) 25.070 16.505 ( -6.219 13.866 0.000) 15.197 16.725 ( 1.964 -15.595 0.000) 15.718 17.008 ( -3.929 -6.842 0.000) 7.889 17.088 ( -4.021 -6.581 0.000) 7.713 18.229 ( 16.356 -0.397 0.000) 16.361 18.262 ( 15.843 -1.265 0.000) 15.894 19.068 ( -6.244 5.355 0.000) 8.226 19.351 ( -5.726 -9.276 0.000) 10.901 20.524 ( 4.056 -1.981 0.000) 4.514 20.544 ( 1.196 -1.599 0.000) 1.996 21.025 ( -15.463 3.293 0.000) 15.810 21.240 ( 4.867 20.121 0.000) 20.702 21.360 ( -19.462 -10.538 0.000) 22.132 21.925 ( -11.181 10.307 0.000) 15.207 22.143 ( 2.925 2.715 0.000) 3.991 22.153 ( 1.159 -14.187 0.000) 14.234 22.371 ( 12.654 1.587 0.000) 12.753 22.874 ( 1.410 -17.199 0.000) 17.256 22.906 ( -4.152 -1.947 0.000) 4.586 23.011 ( -1.109 -10.064 0.000) 10.125 23.756 ( 5.329 16.985 0.000) 17.802 24.159 ( -3.575 5.429 0.000) 6.500 24.250 ( 0.610 -6.131 0.000) 6.161 24.358 ( -3.868 -1.839 0.000) 4.283 24.678 ( 4.823 18.047 0.000) 18.680 24.939 ( -3.158 2.869 0.000) 4.267 24.974 ( 1.943 4.355 0.000) 4.769 25.108 ( 0.672 -2.981 0.000) 3.055 25.137 ( 1.367 -2.646 0.000) 2.978 25.197 ( -1.911 3.179 0.000) 3.709 25.423 ( 3.106 -5.448 0.000) 6.271 25.544 ( -0.749 -14.910 0.000) 14.929 26.600 ( 23.441 3.932 0.000) 23.769 26.849 ( 15.368 -7.364 0.000) 17.041 27.185 ( -1.347 9.592 0.000) 9.686 27.308 ( -0.160 2.269 0.000) 2.275 27.407 ( 9.089 -2.309 0.000) 9.378 27.525 ( -4.352 -4.561 0.000) 6.304 27.840 ( 11.551 8.897 0.000) 14.580 27.924 ( -6.504 1.315 0.000) 6.636 28.037 ( -1.807 -4.157 0.000) 4.533 28.624 ( -11.903 19.267 0.000) 22.647 28.795 ( 47.174 -57.791 0.000) 74.600 29.764 ( -4.420 -26.666 0.000) 27.030 34.768 ( 3.843 2.722 0.000) 4.709 34.942 ( 2.121 -5.613 0.000) 6.001 35.146 ( -4.184 1.165 0.000) 4.343 35.193 ( -5.341 -0.048 0.000) 5.341 35.305 ( 0.562 2.154 0.000) 2.226 35.335 ( 0.810 3.916 0.000) 3.999 35.409 ( -4.716 5.000 0.000) 6.873 35.478 ( -5.081 3.587 0.000) 6.220 35.989 ( 13.079 3.815 0.000) 13.624 36.252 ( 4.198 -5.794 0.000) 7.155 36.546 ( -5.718 11.946 0.000) 13.244 36.698 ( -6.771 1.106 0.000) 6.861 36.989 ( 9.253 7.670 0.000) 12.019 37.881 ( 7.167 -20.426 0.000) 21.647 38.044 ( -38.763 38.302 0.000) 54.494 38.569 ( -11.284 2.316 0.000) 11.519 39.340 ( 0.728 2.094 0.000) 2.217 39.363 ( 1.944 2.101 0.000) 2.863 39.640 ( -7.376 1.232 0.000) 7.479 39.755 ( -11.290 -1.781 0.000) 11.430 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 36.062 20.848 0.000) 41.654 2.257 ( 39.372 16.860 0.000) 42.830 2.784 ( 5.726 7.597 0.000) 9.513 2.846 ( -11.399 3.191 0.000) 11.838 2.894 ( -18.659 3.846 0.000) 19.051 2.904 ( -18.118 1.158 0.000) 18.155 2.959 ( 10.189 -5.284 0.000) 11.478 3.087 ( -2.994 -7.176 0.000) 7.776 3.152 ( 8.378 -9.658 0.000) 12.785 3.249 ( 3.599 -8.991 0.000) 9.685 3.258 ( 2.932 3.113 0.000) 4.276 3.378 ( -12.640 -2.792 0.000) 12.945 3.511 ( 0.703 1.904 0.000) 2.029 3.568 ( 2.603 -5.256 0.000) 5.865 3.635 ( -4.838 4.537 0.000) 6.633 3.647 ( -8.069 1.616 0.000) 8.229 3.966 ( 14.399 1.072 0.000) 14.439 3.991 ( 3.377 -3.593 0.000) 4.931 4.169 ( 17.592 6.079 0.000) 18.613 4.337 ( -3.424 -13.691 0.000) 14.113 4.553 ( 23.023 -15.157 0.000) 27.564 4.940 ( -8.287 4.351 0.000) 9.359 5.093 ( 1.322 -15.270 0.000) 15.327 5.199 ( -6.772 -6.328 0.000) 9.268 5.369 ( 23.015 -2.652 0.000) 23.168 5.702 ( 34.728 -4.191 0.000) 34.980 5.871 ( 5.503 15.656 0.000) 16.596 5.892 ( -10.787 25.538 0.000) 27.723 6.128 ( 22.933 4.460 0.000) 23.363 6.208 ( -35.953 11.225 0.000) 37.664 6.482 ( -23.721 13.972 0.000) 27.530 6.727 ( -43.172 -6.984 0.000) 43.733 7.550 ( 3.110 6.771 0.000) 7.451 7.620 ( -16.350 0.007 0.000) 16.350 7.698 ( 23.766 8.902 0.000) 25.378 7.906 ( 24.436 3.948 0.000) 24.752 8.309 ( -24.091 -12.775 0.000) 27.268 8.530 ( -36.084 2.272 0.000) 36.155 8.744 ( -8.898 -13.762 0.000) 16.388 8.774 ( -7.553 -23.871 0.000) 25.038 9.368 ( 8.504 10.289 0.000) 13.348 9.401 ( 5.271 4.648 0.000) 7.028 9.802 ( 12.164 -16.725 0.000) 20.681 9.966 ( -3.595 -26.389 0.000) 26.633 10.159 ( 14.823 -4.913 0.000) 15.616 10.397 ( -9.692 4.659 0.000) 10.754 10.437 ( 16.052 -7.848 0.000) 17.868 10.637 ( 11.797 7.795 0.000) 14.140 10.770 ( -12.549 -3.195 0.000) 12.949 10.866 ( -10.474 3.831 0.000) 11.153 11.008 ( -4.131 -2.839 0.000) 5.013 11.066 ( -8.254 -8.263 0.000) 11.679 11.744 ( 14.131 20.317 0.000) 24.748 11.806 ( 9.330 17.183 0.000) 19.553 11.974 ( -5.576 21.455 0.000) 22.168 12.036 ( -9.850 7.952 0.000) 12.659 12.321 ( 9.618 -0.423 0.000) 9.627 12.443 ( 0.815 -4.855 0.000) 4.923 12.619 ( 3.382 8.248 0.000) 8.914 12.719 ( 2.405 11.414 0.000) 11.665 12.899 ( 0.622 13.150 0.000) 13.165 13.042 ( -5.840 -0.881 0.000) 5.906 13.185 ( 1.671 -14.378 0.000) 14.474 13.220 ( -4.113 -9.672 0.000) 10.510 13.360 ( 6.322 -9.331 0.000) 11.271 13.523 ( -5.828 -12.870 0.000) 14.128 13.799 ( 1.911 -25.036 0.000) 25.109 13.807 ( 1.467 -12.704 0.000) 12.789 13.944 ( -1.923 -1.976 0.000) 2.757 14.000 ( -7.950 12.181 0.000) 14.546 14.300 ( 6.682 -4.908 0.000) 8.291 14.383 ( -1.599 -3.657 0.000) 3.992 14.534 ( 9.444 2.860 0.000) 9.867 14.667 ( 10.579 -3.884 0.000) 11.270 14.708 ( -6.615 6.809 0.000) 9.493 14.818 ( -2.870 -0.945 0.000) 3.021 15.165 ( 15.919 19.802 0.000) 25.407 15.495 ( -10.425 17.258 0.000) 20.163 15.824 ( -7.953 22.459 0.000) 23.826 15.835 ( -4.244 9.598 0.000) 10.495 16.556 ( 7.711 -8.981 0.000) 11.837 16.697 ( -4.872 -13.720 0.000) 14.559 16.956 ( -0.200 -8.147 0.000) 8.150 16.999 ( -3.943 -8.336 0.000) 9.222 18.602 ( 17.902 -0.092 0.000) 17.903 18.661 ( 22.186 -2.716 0.000) 22.352 18.900 ( -11.191 2.368 0.000) 11.438 19.093 ( -18.593 -6.211 0.000) 19.603 20.595 ( 4.441 -0.240 0.000) 4.448 20.672 ( 10.900 -4.213 0.000) 11.686 20.746 ( -10.895 1.467 0.000) 10.993 20.969 ( -17.860 -8.004 0.000) 19.571 21.390 ( 9.958 18.249 0.000) 20.789 21.640 ( -14.283 15.436 0.000) 21.031 22.179 ( 1.203 -10.691 0.000) 10.758 22.188 ( 0.716 -4.366 0.000) 4.424 22.607 ( 10.380 0.138 0.000) 10.381 22.788 ( -7.448 -1.230 0.000) 7.549 22.922 ( 2.698 -15.298 0.000) 15.534 22.974 ( -2.349 -11.995 0.000) 12.223 23.894 ( 7.682 13.058 0.000) 15.150 24.048 ( -7.044 9.207 0.000) 11.593 24.267 ( 1.068 -5.059 0.000) 5.171 24.297 ( -2.059 -3.025 0.000) 3.659 24.776 ( 4.660 12.962 0.000) 13.774 24.864 ( -4.072 7.923 0.000) 8.908 25.028 ( 3.244 4.524 0.000) 5.567 25.093 ( -2.600 2.962 0.000) 3.941 25.166 ( 1.164 -3.153 0.000) 3.360 25.176 ( -0.079 -2.223 0.000) 2.225 25.483 ( 2.458 -9.361 0.000) 9.678 25.522 ( -1.450 -12.760 0.000) 12.842 27.020 ( 7.846 2.957 0.000) 8.385 27.131 ( 20.154 -1.535 0.000) 20.212 27.133 ( -4.007 7.256 0.000) 8.289 27.394 ( -8.485 -4.379 0.000) 9.548 27.409 ( 11.869 8.321 0.000) 14.495 27.654 ( 13.781 -2.343 0.000) 13.979 27.723 ( -13.785 4.902 0.000) 14.630 27.925 ( -10.670 -5.027 0.000) 11.795 28.099 ( 12.147 11.564 0.000) 16.771 28.342 ( -13.390 19.404 0.000) 23.576 29.405 ( 16.916 -49.395 0.000) 52.211 29.638 ( -8.104 -34.419 0.000) 35.360 34.877 ( 6.702 2.703 0.000) 7.227 34.999 ( 3.442 -3.073 0.000) 4.614 35.024 ( -7.310 1.979 0.000) 7.574 35.082 ( -4.852 0.003 0.000) 4.852 35.322 ( 1.049 2.788 0.000) 2.979 35.349 ( -1.803 3.880 0.000) 4.278 35.359 ( 1.541 4.615 0.000) 4.866 35.399 ( -2.668 5.374 0.000) 6.000 36.269 ( 13.662 1.675 0.000) 13.764 36.338 ( 4.287 1.037 0.000) 4.410 36.432 ( -5.164 7.014 0.000) 8.710 36.520 ( -10.799 0.508 0.000) 10.811 37.196 ( 11.334 14.621 0.000) 18.500 37.479 ( -18.282 27.368 0.000) 32.913 38.080 ( 11.949 -16.148 0.000) 20.088 38.338 ( -12.618 -8.040 0.000) 14.961 39.380 ( 3.528 1.301 0.000) 3.761 39.426 ( 4.456 0.339 0.000) 4.468 39.492 ( -7.185 0.385 0.000) 7.195 39.550 ( -8.022 -2.476 0.000) 8.396 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.000 -42.644 0.000) 42.644 1.860 ( 0.000 42.644 0.000) 42.644 1.969 ( 0.000 -41.363 0.000) 41.363 1.969 ( 0.000 41.363 0.000) 41.363 2.986 ( 0.000 -9.008 0.000) 9.008 2.986 ( 0.000 9.008 0.000) 9.008 3.042 ( 0.000 -7.780 0.000) 7.780 3.042 ( 0.000 7.780 0.000) 7.780 3.205 ( 0.000 -22.000 0.000) 22.000 3.205 ( 0.000 22.000 0.000) 22.000 3.265 ( 0.000 -23.621 0.000) 23.621 3.265 ( 0.000 23.621 0.000) 23.621 3.287 ( 0.000 -2.637 0.000) 2.637 3.287 ( 0.000 2.637 0.000) 2.637 3.655 ( 0.000 -5.277 0.000) 5.277 3.655 ( 0.000 5.277 0.000) 5.277 3.656 ( 0.000 -2.538 0.000) 2.538 3.656 ( 0.000 2.538 0.000) 2.538 4.331 ( 0.000 -11.676 0.000) 11.676 4.331 ( 0.000 11.676 0.000) 11.676 4.495 ( 0.000 -26.920 0.000) 26.920 4.495 ( 0.000 26.920 0.000) 26.920 5.267 ( 0.000 -10.317 0.000) 10.317 5.267 ( 0.000 10.317 0.000) 10.317 5.321 ( 0.000 -13.944 0.000) 13.944 5.321 ( 0.000 13.944 0.000) 13.944 5.727 ( 0.000 -1.233 0.000) 1.233 5.727 ( 0.000 1.233 0.000) 1.233 6.366 ( 0.000 -39.619 0.000) 39.619 6.366 ( 0.000 39.619 0.000) 39.619 7.014 ( 0.000 -9.494 0.000) 9.494 7.014 ( 0.000 9.494 0.000) 9.494 7.816 ( 0.000 -18.854 0.000) 18.854 7.816 ( 0.000 18.854 0.000) 18.854 8.283 ( 0.000 -26.828 0.000) 26.828 8.283 ( 0.000 26.828 0.000) 26.828 8.712 ( 0.000 -13.033 0.000) 13.033 8.712 ( 0.000 13.033 0.000) 13.033 9.062 ( 0.000 -0.799 0.000) 0.799 9.062 ( 0.000 0.799 0.000) 0.799 9.250 ( 0.000 -15.862 0.000) 15.862 9.250 ( 0.000 15.862 0.000) 15.862 9.689 ( 0.000 -1.021 0.000) 1.021 9.689 ( 0.000 1.021 0.000) 1.021 9.718 ( 0.000 -4.273 0.000) 4.273 9.718 ( 0.000 4.273 0.000) 4.273 10.832 ( 0.000 -7.944 0.000) 7.944 10.832 ( 0.000 7.944 0.000) 7.944 10.952 ( 0.000 -16.711 0.000) 16.711 10.952 ( 0.000 16.711 0.000) 16.711 11.140 ( 0.000 -2.080 0.000) 2.080 11.140 ( 0.000 2.080 0.000) 2.080 11.542 ( 0.000 -2.192 0.000) 2.192 11.542 ( 0.000 2.192 0.000) 2.192 12.246 ( 0.000 -38.354 0.000) 38.354 12.246 ( 0.000 38.354 0.000) 38.354 12.375 ( 0.000 -11.514 0.000) 11.514 12.375 ( 0.000 11.514 0.000) 11.514 12.421 ( 0.000 -5.631 0.000) 5.631 12.421 ( 0.000 5.631 0.000) 5.631 12.931 ( 0.000 -28.958 0.000) 28.958 12.931 ( 0.000 28.958 0.000) 28.958 13.217 ( 0.000 -11.990 0.000) 11.990 13.217 ( 0.000 11.990 0.000) 11.990 13.459 ( 0.000 -15.142 0.000) 15.142 13.459 ( 0.000 15.142 0.000) 15.142 13.759 ( 0.000 -2.568 0.000) 2.568 13.759 ( 0.000 2.568 0.000) 2.568 13.953 ( 0.000 -5.176 0.000) 5.176 13.953 ( 0.000 5.176 0.000) 5.176 14.295 ( 0.000 -12.890 0.000) 12.890 14.295 ( 0.000 12.890 0.000) 12.890 14.300 ( 0.000 -1.903 0.000) 1.903 14.300 ( 0.000 1.903 0.000) 1.903 14.698 ( 0.000 -9.267 0.000) 9.267 14.698 ( 0.000 9.267 0.000) 9.267 15.194 ( 0.000 -1.394 0.000) 1.394 15.194 ( 0.000 1.394 0.000) 1.394 16.130 ( 0.000 -29.611 0.000) 29.611 16.130 ( 0.000 29.611 0.000) 29.611 16.804 ( 0.000 -18.125 0.000) 18.125 16.804 ( 0.000 18.125 0.000) 18.125 16.962 ( 0.000 -11.603 0.000) 11.603 16.962 ( 0.000 11.603 0.000) 11.603 18.059 ( 0.000 -1.247 0.000) 1.247 18.059 ( 0.000 1.247 0.000) 1.247 19.257 ( 0.000 -4.739 0.000) 4.739 19.257 ( 0.000 4.739 0.000) 4.739 20.491 ( 0.000 -1.701 0.000) 1.701 20.491 ( 0.000 1.701 0.000) 1.701 21.412 ( 0.000 -9.624 0.000) 9.624 21.412 ( 0.000 9.624 0.000) 9.624 21.692 ( 0.000 -26.129 0.000) 26.129 21.692 ( 0.000 26.129 0.000) 26.129 22.042 ( 0.000 -4.049 0.000) 4.049 22.042 ( 0.000 4.049 0.000) 4.049 22.523 ( 0.000 -16.772 0.000) 16.772 22.523 ( 0.000 16.772 0.000) 16.772 22.925 ( 0.000 -0.363 0.000) 0.363 22.925 ( 0.000 0.363 0.000) 0.363 24.038 ( 0.000 -13.822 0.000) 13.822 24.038 ( 0.000 13.822 0.000) 13.822 24.294 ( 0.000 -5.876 0.000) 5.876 24.294 ( 0.000 5.876 0.000) 5.876 25.023 ( 0.000 -2.839 0.000) 2.839 25.023 ( 0.000 2.839 0.000) 2.839 25.040 ( 0.000 -1.925 0.000) 1.925 25.040 ( 0.000 1.925 0.000) 1.925 25.139 ( 0.000 -22.050 0.000) 22.050 25.139 ( 0.000 22.050 0.000) 22.050 25.307 ( 0.000 -4.451 0.000) 4.451 25.307 ( 0.000 4.451 0.000) 4.451 26.387 ( 0.000 -2.285 0.000) 2.285 26.387 ( 0.000 2.285 0.000) 2.285 27.336 ( 0.000 -0.216 0.000) 0.216 27.336 ( 0.000 0.216 0.000) 0.216 27.415 ( 0.000 -9.814 0.000) 9.814 27.415 ( 0.000 9.814 0.000) 9.814 27.861 ( 0.000 -0.990 0.000) 0.990 27.861 ( 0.000 0.990 0.000) 0.990 28.009 ( 0.000 -1.434 0.000) 1.434 28.009 ( 0.000 1.434 0.000) 1.434 29.238 ( 0.000 -28.641 0.000) 28.641 29.238 ( 0.000 28.641 0.000) 28.641 34.804 ( 0.000 -4.744 0.000) 4.744 34.804 ( 0.000 4.744 0.000) 4.744 35.219 ( 0.000 -1.724 0.000) 1.724 35.219 ( 0.000 1.724 0.000) 1.724 35.341 ( 0.000 -1.507 0.000) 1.507 35.341 ( 0.000 1.507 0.000) 1.507 35.528 ( 0.000 -0.904 0.000) 0.904 35.528 ( 0.000 0.904 0.000) 0.904 35.994 ( 0.000 -10.277 0.000) 10.277 35.994 ( 0.000 10.277 0.000) 10.277 36.780 ( 0.000 -3.994 0.000) 3.994 36.780 ( 0.000 3.994 0.000) 3.994 37.256 ( 0.000 -29.553 0.000) 29.553 37.256 ( 0.000 29.553 0.000) 29.553 38.708 ( 0.000 -11.128 0.000) 11.128 38.708 ( 0.000 11.128 0.000) 11.128 39.370 ( 0.000 -0.378 0.000) 0.378 39.370 ( 0.000 0.378 0.000) 0.378 39.861 ( 0.000 -4.753 0.000) 4.753 39.861 ( 0.000 4.753 0.000) 4.753 ======================= Grid point 12 (8/54) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 23.884 -35.840 0.000) 43.069 2.129 ( 23.884 35.840 0.000) 43.069 2.231 ( 19.683 -32.349 0.000) 37.867 2.231 ( 19.683 32.349 0.000) 37.867 2.992 ( 0.736 -8.992 0.000) 9.022 2.992 ( 0.736 8.992 0.000) 9.022 3.026 ( -1.700 -10.759 0.000) 10.892 3.026 ( -1.700 10.759 0.000) 10.892 3.224 ( -6.529 -2.841 0.000) 7.120 3.224 ( -6.529 2.841 0.000) 7.120 3.301 ( 4.388 -2.561 0.000) 5.081 3.301 ( 4.388 2.561 0.000) 5.081 3.597 ( 27.353 -24.269 0.000) 36.567 3.597 ( 27.353 24.269 0.000) 36.567 3.650 ( -0.868 -5.927 0.000) 5.990 3.650 ( -0.868 5.927 0.000) 5.990 3.698 ( 6.445 -8.326 0.000) 10.529 3.698 ( 6.445 8.326 0.000) 10.529 4.200 ( -10.090 -9.942 0.000) 14.165 4.200 ( -10.090 9.942 0.000) 14.165 4.423 ( -2.344 -28.264 0.000) 28.361 4.423 ( -2.344 28.264 0.000) 28.361 5.218 ( -4.742 -8.256 0.000) 9.521 5.218 ( -4.742 8.256 0.000) 9.521 5.258 ( -3.652 -12.397 0.000) 12.924 5.258 ( -3.652 12.397 0.000) 12.924 5.792 ( 9.134 -5.144 0.000) 10.483 5.792 ( 9.134 5.144 0.000) 10.483 6.460 ( 6.127 -32.976 0.000) 33.541 6.460 ( 6.127 32.976 0.000) 33.541 7.267 ( 21.602 -10.796 0.000) 24.150 7.267 ( 21.602 10.796 0.000) 24.150 7.365 ( -35.302 -17.093 0.000) 39.222 7.365 ( -35.302 17.093 0.000) 39.222 8.181 ( -16.588 -22.491 0.000) 27.946 8.181 ( -16.588 22.491 0.000) 27.946 8.503 ( -16.147 -26.832 0.000) 31.316 8.503 ( -16.147 26.832 0.000) 31.316 9.124 ( -3.846 -1.409 0.000) 4.096 9.124 ( -3.846 1.409 0.000) 4.096 9.378 ( 9.109 -17.842 0.000) 20.033 9.378 ( 9.109 17.842 0.000) 20.033 9.385 ( -12.231 -8.499 0.000) 14.893 9.385 ( -12.231 8.499 0.000) 14.893 9.892 ( 14.068 -6.369 0.000) 15.443 9.892 ( 14.068 6.369 0.000) 15.443 10.808 ( -4.007 -10.344 0.000) 11.093 10.808 ( -4.007 10.344 0.000) 11.093 10.891 ( -4.520 -20.190 0.000) 20.689 10.891 ( -4.520 20.190 0.000) 20.689 11.083 ( -5.679 -3.004 0.000) 6.424 11.083 ( -5.679 3.004 0.000) 6.424 11.779 ( 17.264 -9.414 0.000) 19.664 11.779 ( 17.264 9.414 0.000) 19.664 12.131 ( -5.369 -27.433 0.000) 27.954 12.131 ( -5.369 27.433 0.000) 27.954 12.496 ( 6.711 -24.381 0.000) 25.288 12.496 ( 6.711 24.381 0.000) 25.288 12.514 ( 7.099 -11.008 0.000) 13.099 12.514 ( 7.099 11.008 0.000) 13.099 12.958 ( 3.288 -28.506 0.000) 28.695 12.958 ( 3.288 28.506 0.000) 28.695 13.095 ( -6.848 -2.997 0.000) 7.475 13.095 ( -6.848 2.997 0.000) 7.475 13.463 ( -2.042 -15.258 0.000) 15.394 13.463 ( -2.042 15.258 0.000) 15.394 13.638 ( -9.442 -6.567 0.000) 11.501 13.638 ( -9.442 6.567 0.000) 11.501 14.028 ( 5.280 -6.626 0.000) 8.472 14.028 ( 5.280 6.626 0.000) 8.472 14.314 ( -1.228 -8.142 0.000) 8.234 14.314 ( -1.228 8.142 0.000) 8.234 14.373 ( 7.886 -3.102 0.000) 8.474 14.373 ( 7.886 3.102 0.000) 8.474 14.804 ( 5.211 -6.630 0.000) 8.433 14.804 ( 5.211 6.630 0.000) 8.433 15.305 ( 12.202 -18.587 0.000) 22.234 15.305 ( 12.202 18.587 0.000) 22.234 16.074 ( -5.568 -23.986 0.000) 24.624 16.074 ( -5.568 23.986 0.000) 24.624 16.750 ( -4.075 -16.154 0.000) 16.660 16.750 ( -4.075 16.154 0.000) 16.660 16.863 ( -7.947 -15.648 0.000) 17.550 16.863 ( -7.947 15.648 0.000) 17.550 18.235 ( 15.758 -1.020 0.000) 15.791 18.235 ( 15.758 1.020 0.000) 15.791 19.192 ( -6.716 -6.740 0.000) 9.515 19.192 ( -6.716 6.740 0.000) 9.515 20.514 ( 2.484 -0.894 0.000) 2.640 20.514 ( 2.484 0.894 0.000) 2.640 21.152 ( -18.361 -8.823 0.000) 20.371 21.152 ( -18.361 8.823 0.000) 20.371 21.725 ( 3.277 -25.232 0.000) 25.444 21.725 ( 3.277 25.232 0.000) 25.444 22.102 ( -0.997 -6.174 0.000) 6.254 22.102 ( -0.997 6.174 0.000) 6.254 22.544 ( 4.198 -14.214 0.000) 14.820 22.544 ( 4.198 14.214 0.000) 14.820 22.896 ( -2.853 -1.941 0.000) 3.451 22.896 ( -2.853 1.941 0.000) 3.451 24.061 ( 2.197 -12.428 0.000) 12.621 24.061 ( 2.197 12.428 0.000) 12.621 24.268 ( -2.477 -5.414 0.000) 5.954 24.268 ( -2.477 5.414 0.000) 5.954 25.022 ( 0.406 -4.782 0.000) 4.799 25.022 ( 0.406 4.782 0.000) 4.799 25.043 ( 0.219 -6.303 0.000) 6.306 25.043 ( 0.219 6.303 0.000) 6.306 25.161 ( 2.069 -19.080 0.000) 19.192 25.161 ( 2.069 19.080 0.000) 19.192 25.298 ( -0.898 -6.160 0.000) 6.225 25.298 ( -0.898 6.160 0.000) 6.225 26.706 ( 23.347 -6.291 0.000) 24.179 26.706 ( 23.347 6.291 0.000) 24.179 27.358 ( 4.822 -2.505 0.000) 5.434 27.358 ( 4.822 2.505 0.000) 5.434 27.386 ( -3.075 -8.932 0.000) 9.447 27.386 ( -3.075 8.932 0.000) 9.447 27.965 ( -4.328 -2.754 0.000) 5.130 27.965 ( -4.328 2.754 0.000) 5.130 28.107 ( 20.270 -18.964 0.000) 27.758 28.107 ( 20.270 18.964 0.000) 27.758 29.145 ( -8.897 -30.626 0.000) 31.892 29.145 ( -8.897 30.626 0.000) 31.892 34.841 ( 3.534 -4.330 0.000) 5.589 34.841 ( 3.534 4.330 0.000) 5.589 35.174 ( -4.282 -1.377 0.000) 4.498 35.174 ( -4.282 1.377 0.000) 4.498 35.350 ( 0.924 -1.639 0.000) 1.881 35.350 ( 0.924 1.639 0.000) 1.881 35.479 ( -3.438 -2.368 0.000) 4.174 35.479 ( -3.438 2.368 0.000) 4.174 36.105 ( 9.268 -7.268 0.000) 11.778 36.105 ( 9.268 7.268 0.000) 11.778 36.692 ( -7.353 -2.674 0.000) 7.824 36.692 ( -7.353 2.674 0.000) 7.824 37.371 ( 10.156 -26.635 0.000) 28.505 37.371 ( 10.156 26.635 0.000) 28.505 38.492 ( -19.830 -11.076 0.000) 22.713 38.492 ( -19.830 11.076 0.000) 22.713 39.378 ( 0.883 -0.884 0.000) 1.249 39.378 ( 0.883 0.884 0.000) 1.249 39.697 ( -11.620 -3.554 0.000) 12.151 39.697 ( -11.620 3.554 0.000) 12.151 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 17.902 -19.968 0.000) 26.818 2.620 ( 17.902 19.968 0.000) 26.818 2.668 ( 23.331 -20.743 0.000) 31.219 2.668 ( 23.331 20.743 0.000) 31.219 2.972 ( -3.720 -6.186 0.000) 7.218 2.972 ( -3.720 6.186 0.000) 7.218 3.008 ( -11.453 -4.378 0.000) 12.261 3.008 ( -11.453 4.378 0.000) 12.261 3.044 ( 4.102 -10.485 0.000) 11.259 3.044 ( 4.102 10.485 0.000) 11.259 3.288 ( -9.892 -1.433 0.000) 9.996 3.288 ( -9.892 1.433 0.000) 9.996 3.587 ( -4.145 -7.322 0.000) 8.414 3.587 ( -4.145 7.322 0.000) 8.414 3.604 ( -3.254 -6.216 0.000) 7.016 3.604 ( -3.254 6.216 0.000) 7.016 4.064 ( -1.578 -10.193 0.000) 10.315 4.064 ( -1.578 10.193 0.000) 10.315 4.075 ( 2.399 -9.430 0.000) 9.730 4.075 ( 2.399 9.430 0.000) 9.730 4.704 ( 26.269 -19.875 0.000) 32.941 4.704 ( 26.269 19.875 0.000) 32.941 5.065 ( -11.055 -6.320 0.000) 12.734 5.065 ( -11.055 6.320 0.000) 12.734 5.480 ( 33.258 -11.843 0.000) 35.303 5.480 ( 33.258 11.843 0.000) 35.303 6.101 ( 20.067 -6.364 0.000) 21.052 6.101 ( 20.067 6.364 0.000) 21.052 6.370 ( -30.090 -11.239 0.000) 32.120 6.370 ( -30.090 11.239 0.000) 32.120 6.547 ( -32.652 -5.625 0.000) 33.133 6.547 ( -32.652 5.625 0.000) 33.133 7.741 ( 19.422 -7.205 0.000) 20.715 7.741 ( 19.422 7.205 0.000) 20.715 7.876 ( -6.341 -24.149 0.000) 24.968 7.876 ( -6.341 24.149 0.000) 24.968 8.225 ( -4.543 -27.377 0.000) 27.751 8.225 ( -4.543 27.377 0.000) 27.751 8.589 ( -30.993 -4.038 0.000) 31.255 8.589 ( -30.993 4.038 0.000) 31.255 9.530 ( 7.259 -8.771 0.000) 11.386 9.530 ( 7.259 8.771 0.000) 11.386 9.536 ( 5.248 -12.925 0.000) 13.950 9.536 ( 5.248 12.925 0.000) 13.950 10.227 ( 18.789 -9.686 0.000) 21.139 10.227 ( 18.789 9.686 0.000) 21.139 10.604 ( -16.117 -11.734 0.000) 19.936 10.604 ( -16.117 11.734 0.000) 19.936 10.848 ( 1.524 -11.565 0.000) 11.665 10.848 ( 1.524 11.565 0.000) 11.665 10.944 ( -6.842 -3.844 0.000) 7.848 10.944 ( -6.842 3.844 0.000) 7.848 12.050 ( 7.381 -5.438 0.000) 9.168 12.050 ( 7.381 5.438 0.000) 9.168 12.093 ( 0.555 -11.992 0.000) 12.005 12.093 ( 0.555 11.992 0.000) 12.005 12.576 ( 1.255 -24.251 0.000) 24.283 12.576 ( 1.255 24.251 0.000) 24.283 12.589 ( -0.200 -22.354 0.000) 22.355 12.589 ( -0.200 22.354 0.000) 22.355 13.083 ( 7.896 -21.281 0.000) 22.699 13.083 ( 7.896 21.281 0.000) 22.699 13.099 ( 6.597 -12.016 0.000) 13.708 13.099 ( 6.597 12.016 0.000) 13.708 13.363 ( -6.070 -21.165 0.000) 22.019 13.363 ( -6.070 21.165 0.000) 22.019 13.423 ( -10.803 -10.898 0.000) 15.345 13.423 ( -10.803 10.898 0.000) 15.345 14.130 ( 5.152 -10.861 0.000) 12.021 14.130 ( 5.152 10.861 0.000) 12.021 14.240 ( -5.266 -10.218 0.000) 11.495 14.240 ( -5.266 10.218 0.000) 11.495 14.591 ( 11.779 -3.213 0.000) 12.209 14.591 ( 11.779 3.213 0.000) 12.209 14.786 ( -6.284 -2.426 0.000) 6.736 14.786 ( -6.284 2.426 0.000) 6.736 15.623 ( 16.097 -23.256 0.000) 28.283 15.623 ( 16.097 23.256 0.000) 28.283 15.903 ( -11.256 -16.914 0.000) 20.317 15.903 ( -11.256 16.914 0.000) 20.317 16.688 ( -1.208 -14.462 0.000) 14.512 16.688 ( -1.208 14.462 0.000) 14.512 16.722 ( -4.735 -17.409 0.000) 18.041 16.722 ( -4.735 17.409 0.000) 18.041 18.614 ( 19.736 -1.506 0.000) 19.793 18.614 ( 19.736 1.506 0.000) 19.793 18.974 ( -14.788 -4.894 0.000) 15.577 18.974 ( -14.788 4.894 0.000) 15.577 20.607 ( 7.125 -1.829 0.000) 7.356 20.607 ( 7.125 1.829 0.000) 7.356 20.816 ( -13.708 -5.794 0.000) 14.882 20.816 ( -13.708 5.794 0.000) 14.882 21.825 ( 6.527 -22.096 0.000) 23.040 21.825 ( 6.527 22.096 0.000) 23.040 21.981 ( -8.355 -15.572 0.000) 17.672 21.981 ( -8.355 15.572 0.000) 17.672 22.678 ( 7.342 -7.688 0.000) 10.630 22.678 ( 7.342 7.688 0.000) 10.630 22.811 ( -5.495 -4.208 0.000) 6.921 22.811 ( -5.495 4.208 0.000) 6.921 24.123 ( 3.713 -9.135 0.000) 9.861 24.123 ( 3.713 9.135 0.000) 9.861 24.202 ( -3.828 -6.090 0.000) 7.194 24.202 ( -3.828 6.090 0.000) 7.194 25.037 ( 0.754 -7.330 0.000) 7.369 25.037 ( 0.754 7.330 0.000) 7.369 25.045 ( -0.066 -8.550 0.000) 8.550 25.045 ( -0.066 8.550 0.000) 8.550 25.214 ( 2.897 -14.148 0.000) 14.441 25.214 ( 2.897 14.148 0.000) 14.441 25.267 ( -2.168 -9.921 0.000) 10.156 25.267 ( -2.168 9.921 0.000) 10.156 27.082 ( 12.966 -2.972 0.000) 13.303 27.082 ( 12.966 2.972 0.000) 13.303 27.281 ( -7.382 -6.650 0.000) 9.935 27.281 ( -7.382 6.650 0.000) 9.935 27.571 ( 14.210 -6.174 0.000) 15.493 27.571 ( 14.210 6.174 0.000) 15.493 27.826 ( -9.753 -4.917 0.000) 10.923 27.826 ( -9.753 4.917 0.000) 10.923 28.536 ( 20.053 -32.640 0.000) 38.308 28.536 ( 20.053 32.640 0.000) 38.308 28.895 ( -15.305 -34.312 0.000) 37.570 28.895 ( -15.305 34.312 0.000) 37.570 34.938 ( 5.749 -3.063 0.000) 6.514 34.938 ( 5.749 3.063 0.000) 6.514 35.062 ( -6.229 -1.614 0.000) 6.435 35.062 ( -6.229 1.614 0.000) 6.435 35.377 ( 1.710 -2.023 0.000) 2.649 35.377 ( 1.710 2.023 0.000) 2.649 35.419 ( -2.446 -2.498 0.000) 3.496 35.419 ( -2.446 2.498 0.000) 3.496 36.314 ( 10.560 -2.436 0.000) 10.837 36.314 ( 10.560 2.436 0.000) 10.837 36.518 ( -9.449 -1.397 0.000) 9.551 36.518 ( -9.449 1.397 0.000) 9.551 37.638 ( 16.171 -25.211 0.000) 29.951 37.638 ( 16.171 25.211 0.000) 29.951 38.032 ( -22.496 -22.559 0.000) 31.859 38.032 ( -22.496 22.559 0.000) 31.859 39.414 ( 2.930 -1.524 0.000) 3.302 39.414 ( 2.930 1.524 0.000) 3.302 39.508 ( -6.693 -1.377 0.000) 6.833 39.508 ( -6.693 1.377 0.000) 6.833 ======================= Grid point 25 (10/54) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 0.000 44.041) 44.041 1.057 ( 0.000 0.000 53.483) 53.483 1.733 ( 0.000 0.000 84.700) 84.700 2.688 ( 0.000 0.000 0.852) 0.852 2.819 ( 0.000 0.000 -2.424) 2.424 3.189 ( 0.000 0.000 -1.755) 1.755 3.190 ( 0.000 0.000 -3.102) 3.102 3.235 ( 0.000 0.000 1.489) 1.489 3.260 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 1.419) 1.419 3.318 ( 0.000 0.000 14.829) 14.829 3.349 ( 0.000 0.000 -1.803) 1.803 3.569 ( 0.000 0.000 18.892) 18.892 3.766 ( 0.000 0.000 2.979) 2.979 3.788 ( 0.000 0.000 0.617) 0.617 3.806 ( 0.000 0.000 -1.470) 1.470 3.864 ( 0.000 0.000 23.952) 23.952 4.119 ( 0.000 0.000 45.113) 45.113 4.135 ( 0.000 0.000 23.518) 23.518 4.308 ( 0.000 0.000 -6.238) 6.238 4.643 ( 0.000 0.000 7.252) 7.252 4.851 ( 0.000 0.000 -6.993) 6.993 4.866 ( 0.000 0.000 -11.614) 11.614 4.971 ( 0.000 0.000 10.620) 10.620 5.418 ( 0.000 0.000 -20.801) 20.801 5.507 ( 0.000 0.000 8.396) 8.396 5.778 ( 0.000 0.000 -13.532) 13.532 6.089 ( 0.000 0.000 7.102) 7.102 6.323 ( 0.000 0.000 18.675) 18.675 6.340 ( 0.000 0.000 8.017) 8.017 6.384 ( 0.000 0.000 5.984) 5.984 7.133 ( 0.000 0.000 -2.850) 2.850 7.486 ( 0.000 0.000 12.204) 12.204 7.763 ( 0.000 0.000 -10.925) 10.925 8.261 ( 0.000 0.000 -9.768) 9.768 8.336 ( 0.000 0.000 4.921) 4.921 8.605 ( 0.000 0.000 -7.326) 7.326 8.737 ( 0.000 0.000 -0.153) 0.153 9.136 ( 0.000 0.000 -7.934) 7.934 9.411 ( 0.000 0.000 -10.673) 10.673 9.520 ( 0.000 0.000 -11.016) 11.016 9.608 ( 0.000 0.000 9.872) 9.872 9.639 ( 0.000 0.000 7.539) 7.539 9.676 ( 0.000 0.000 0.427) 0.427 10.008 ( 0.000 0.000 1.083) 1.083 10.092 ( 0.000 0.000 -5.320) 5.320 10.290 ( 0.000 0.000 -12.127) 12.127 10.523 ( 0.000 0.000 5.814) 5.814 10.949 ( 0.000 0.000 -0.312) 0.312 10.959 ( 0.000 0.000 4.622) 4.622 11.044 ( 0.000 0.000 -8.341) 8.341 11.130 ( 0.000 0.000 5.397) 5.397 11.316 ( 0.000 0.000 14.544) 14.544 11.656 ( 0.000 0.000 3.837) 3.837 11.793 ( 0.000 0.000 0.337) 0.337 11.878 ( 0.000 0.000 -2.517) 2.517 12.052 ( 0.000 0.000 2.708) 2.708 12.107 ( 0.000 0.000 0.590) 0.590 12.303 ( 0.000 0.000 -11.702) 11.702 12.866 ( 0.000 0.000 -4.552) 4.552 12.971 ( 0.000 0.000 -14.390) 14.390 13.167 ( 0.000 0.000 -2.464) 2.464 13.460 ( 0.000 0.000 -11.896) 11.896 13.469 ( 0.000 0.000 10.875) 10.875 13.493 ( 0.000 0.000 5.689) 5.689 13.603 ( 0.000 0.000 -7.146) 7.146 13.611 ( 0.000 0.000 -8.472) 8.472 13.771 ( 0.000 0.000 0.840) 0.840 13.876 ( 0.000 0.000 -1.950) 1.950 14.243 ( 0.000 0.000 -5.952) 5.952 14.262 ( 0.000 0.000 2.474) 2.474 14.344 ( 0.000 0.000 -6.714) 6.714 14.369 ( 0.000 0.000 -8.569) 8.569 14.400 ( 0.000 0.000 3.398) 3.398 14.707 ( 0.000 0.000 14.233) 14.233 14.791 ( 0.000 0.000 -19.136) 19.136 14.808 ( 0.000 0.000 -8.794) 8.794 15.087 ( 0.000 0.000 6.503) 6.503 15.666 ( 0.000 0.000 19.784) 19.784 16.324 ( 0.000 0.000 14.475) 14.475 16.356 ( 0.000 0.000 -5.945) 5.945 16.924 ( 0.000 0.000 -1.882) 1.882 17.165 ( 0.000 0.000 -0.924) 0.924 17.270 ( 0.000 0.000 10.310) 10.310 18.123 ( 0.000 0.000 2.110) 2.110 18.127 ( 0.000 0.000 9.122) 9.122 19.057 ( 0.000 0.000 1.900) 1.900 19.321 ( 0.000 0.000 -7.921) 7.921 20.318 ( 0.000 0.000 -19.397) 19.397 20.343 ( 0.000 0.000 -18.016) 18.016 20.926 ( 0.000 0.000 -13.714) 13.714 21.323 ( 0.000 0.000 5.136) 5.136 21.632 ( 0.000 0.000 -14.384) 14.384 21.904 ( 0.000 0.000 2.889) 2.889 21.916 ( 0.000 0.000 -7.593) 7.593 22.212 ( 0.000 0.000 6.613) 6.613 22.458 ( 0.000 0.000 13.502) 13.502 23.185 ( 0.000 0.000 3.842) 3.842 23.222 ( 0.000 0.000 2.853) 2.853 23.251 ( 0.000 0.000 4.631) 4.631 23.474 ( 0.000 0.000 10.973) 10.973 24.206 ( 0.000 0.000 4.971) 4.971 24.321 ( 0.000 0.000 4.490) 4.490 24.490 ( 0.000 0.000 13.726) 13.726 24.952 ( 0.000 0.000 4.777) 4.777 24.982 ( 0.000 0.000 0.655) 0.655 25.177 ( 0.000 0.000 4.072) 4.072 25.203 ( 0.000 0.000 4.233) 4.233 25.210 ( 0.000 0.000 4.259) 4.259 25.458 ( 0.000 0.000 3.408) 3.408 25.707 ( 0.000 0.000 1.036) 1.036 26.221 ( 0.000 0.000 -8.045) 8.045 26.398 ( 0.000 0.000 -4.457) 4.457 26.709 ( 0.000 0.000 -7.967) 7.967 26.845 ( 0.000 0.000 -9.364) 9.364 27.179 ( 0.000 0.000 9.689) 9.689 27.340 ( 0.000 0.000 1.570) 1.570 27.478 ( 0.000 0.000 11.875) 11.875 27.578 ( 0.000 0.000 -6.338) 6.338 27.890 ( 0.000 0.000 2.545) 2.545 28.067 ( 0.000 0.000 7.730) 7.730 28.595 ( 0.000 0.000 2.746) 2.746 29.040 ( 0.000 0.000 -1.292) 1.292 30.009 ( 0.000 0.000 -7.199) 7.199 34.738 ( 0.000 0.000 3.753) 3.753 35.027 ( 0.000 0.000 0.142) 0.142 35.052 ( 0.000 0.000 0.638) 0.638 35.167 ( 0.000 0.000 -0.720) 0.720 35.193 ( 0.000 0.000 -3.587) 3.587 35.254 ( 0.000 0.000 -2.278) 2.278 35.259 ( 0.000 0.000 -0.652) 0.652 35.558 ( 0.000 0.000 1.647) 1.647 35.584 ( 0.000 0.000 2.563) 2.563 35.743 ( 0.000 0.000 -0.650) 0.650 36.278 ( 0.000 0.000 -1.191) 1.191 36.521 ( 0.000 0.000 9.234) 9.234 36.693 ( 0.000 0.000 -5.045) 5.045 38.031 ( 0.000 0.000 -1.650) 1.650 38.563 ( 0.000 0.000 0.748) 0.748 38.925 ( 0.000 0.000 -7.445) 7.445 39.017 ( 0.000 0.000 -8.050) 8.050 39.242 ( 0.000 0.000 -6.986) 6.986 39.244 ( 0.000 0.000 -6.506) 6.506 39.627 ( 0.000 0.000 -8.141) 8.141 ======================= Grid point 26 (11/54) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 35.676 0.000 28.383) 45.590 1.548 ( 36.514 0.000 32.301) 48.751 2.333 ( 44.979 0.000 53.737) 70.077 2.726 ( 7.047 0.000 2.371) 7.435 2.829 ( -0.262 0.000 -2.954) 2.966 3.103 ( -4.572 0.000 -2.481) 5.202 3.209 ( -0.654 0.000 -1.314) 1.468 3.223 ( -1.102 0.000 2.059) 2.335 3.237 ( -1.822 0.000 2.491) 3.087 3.326 ( 0.708 0.000 6.560) 6.599 3.342 ( -0.295 0.000 -0.892) 0.939 3.431 ( 9.369 0.000 -0.083) 9.369 3.647 ( 2.077 0.000 13.827) 13.982 3.702 ( -1.599 0.000 7.599) 7.766 3.718 ( -8.424 0.000 -1.966) 8.650 3.819 ( -0.260 0.000 1.747) 1.766 4.070 ( 12.407 0.000 25.029) 27.936 4.138 ( -3.977 0.000 42.810) 42.994 4.298 ( -0.338 0.000 17.879) 17.882 4.363 ( 4.923 0.000 -4.459) 6.642 4.528 ( 20.044 0.000 30.185) 36.234 4.712 ( -4.823 0.000 -17.962) 18.598 4.937 ( 4.608 0.000 -6.163) 7.695 4.976 ( 0.161 0.000 0.299) 0.340 5.393 ( 1.708 0.000 -12.020) 12.141 5.613 ( -14.471 0.000 -13.616) 19.870 5.657 ( 14.440 0.000 7.369) 16.212 6.041 ( -14.931 0.000 1.467) 15.003 6.220 ( -1.442 0.000 20.904) 20.954 6.254 ( -1.216 0.000 13.979) 14.032 6.786 ( 28.413 0.000 -0.483) 28.417 7.114 ( -26.545 0.000 11.023) 28.743 7.335 ( 14.486 0.000 -7.751) 16.430 7.645 ( -13.556 0.000 -1.776) 13.671 7.716 ( -35.672 0.000 0.646) 35.678 8.337 ( -13.737 0.000 7.244) 15.530 8.775 ( -12.483 0.000 -7.810) 14.724 8.823 ( 3.312 0.000 -17.706) 18.013 8.992 ( 13.951 0.000 -1.905) 14.080 9.111 ( -18.454 0.000 3.913) 18.864 9.288 ( -31.199 0.000 3.449) 31.389 9.377 ( -1.368 0.000 -1.219) 1.833 9.660 ( 7.957 0.000 -10.637) 13.284 9.827 ( -3.246 0.000 -3.168) 4.535 10.076 ( 11.919 0.000 -11.104) 16.290 10.303 ( 19.778 0.000 2.114) 19.890 10.395 ( 3.044 0.000 -6.137) 6.850 10.530 ( -0.341 0.000 6.046) 6.056 10.906 ( -11.205 0.000 -9.839) 14.912 10.920 ( -4.827 0.000 -1.541) 5.067 11.080 ( 7.547 0.000 6.331) 9.851 11.180 ( 2.639 0.000 2.106) 3.376 11.356 ( 5.841 0.000 13.441) 14.656 11.662 ( -0.020 0.000 0.884) 0.884 11.805 ( -7.587 0.000 -0.722) 7.621 11.970 ( 15.279 0.000 -0.618) 15.292 12.146 ( -0.740 0.000 2.749) 2.847 12.186 ( 12.456 0.000 4.038) 13.094 12.346 ( 5.967 0.000 -9.013) 10.809 12.775 ( -6.700 0.000 -4.884) 8.292 12.999 ( -0.922 0.000 -4.698) 4.788 13.080 ( -6.420 0.000 -4.693) 7.952 13.237 ( -7.450 0.000 2.190) 7.765 13.374 ( -8.529 0.000 0.318) 8.535 13.489 ( -6.728 0.000 -3.312) 7.500 13.624 ( 10.398 0.000 -15.181) 18.400 13.726 ( 6.656 0.000 -2.230) 7.020 13.933 ( 10.014 0.000 -8.964) 13.440 13.964 ( 0.563 0.000 -10.169) 10.184 13.982 ( -8.315 0.000 2.214) 8.605 14.278 ( -5.656 0.000 -9.336) 10.916 14.362 ( -5.387 0.000 1.408) 5.568 14.402 ( 2.052 0.000 3.009) 3.642 14.424 ( 3.876 0.000 -1.778) 4.264 14.585 ( 4.770 0.000 -8.670) 9.895 14.797 ( -1.834 0.000 -9.435) 9.612 14.811 ( 10.968 0.000 18.403) 21.423 15.444 ( 9.738 0.000 12.379) 15.750 15.848 ( 4.317 0.000 0.973) 4.426 16.116 ( -18.518 0.000 18.437) 26.131 16.449 ( 11.231 0.000 -6.177) 12.818 16.941 ( 1.351 0.000 -2.839) 3.144 17.112 ( -4.073 0.000 -2.982) 5.048 17.160 ( -8.829 0.000 9.371) 12.875 18.301 ( 15.936 0.000 2.480) 16.128 18.326 ( 16.681 0.000 9.131) 19.017 19.029 ( -2.975 0.000 2.359) 3.797 19.319 ( -3.908 0.000 -12.497) 13.094 20.354 ( 0.963 0.000 -18.177) 18.203 20.366 ( 5.178 0.000 -18.909) 19.606 20.810 ( -11.506 0.000 -11.630) 16.360 21.213 ( -3.608 0.000 5.649) 6.703 21.345 ( -20.428 0.000 -12.184) 23.786 21.802 ( -12.230 0.000 -1.300) 12.299 22.088 ( 10.761 0.000 1.543) 10.871 22.381 ( 13.887 0.000 2.934) 14.193 22.442 ( -1.651 0.000 12.380) 12.489 23.095 ( -10.825 0.000 9.729) 14.555 23.181 ( -0.257 0.000 3.347) 3.357 23.213 ( -0.828 0.000 3.125) 3.233 23.573 ( 8.697 0.000 9.405) 12.810 24.214 ( -3.142 0.000 7.377) 8.018 24.339 ( 1.680 0.000 5.077) 5.347 24.468 ( -1.876 0.000 12.128) 12.272 24.885 ( -17.917 0.000 14.421) 23.000 24.939 ( -17.802 0.000 10.934) 20.892 24.971 ( 1.846 0.000 4.659) 5.011 25.169 ( -2.980 0.000 4.363) 5.284 25.223 ( 1.214 0.000 6.259) 6.376 25.241 ( 2.448 0.000 5.969) 6.451 25.582 ( 0.403 0.000 9.022) 9.031 25.737 ( -2.536 0.000 4.542) 5.202 26.415 ( 16.624 0.000 -11.907) 20.448 26.835 ( -0.409 0.000 -10.422) 10.430 27.224 ( 5.142 0.000 12.889) 13.877 27.261 ( 3.820 0.000 -17.759) 18.165 27.316 ( -1.332 0.000 -4.761) 4.944 27.450 ( 9.696 0.000 1.578) 9.824 27.702 ( 11.726 0.000 -3.906) 12.359 27.997 ( -6.851 0.000 8.076) 10.591 28.154 ( 3.171 0.000 4.459) 5.471 28.448 ( -13.992 0.000 3.680) 14.468 29.610 ( 22.152 0.000 -30.576) 37.758 30.021 ( 0.193 0.000 -8.044) 8.047 34.772 ( 3.324 0.000 3.376) 4.738 35.036 ( 0.829 0.000 0.242) 0.863 35.051 ( -0.417 0.000 0.431) 0.600 35.134 ( -3.249 0.000 -0.068) 3.250 35.197 ( 0.309 0.000 -3.849) 3.861 35.229 ( -0.912 0.000 -2.175) 2.358 35.263 ( 0.831 0.000 -1.970) 2.138 35.425 ( -7.057 0.000 0.811) 7.103 35.944 ( 13.790 0.000 -0.855) 13.816 35.982 ( 17.696 0.000 -18.633) 25.697 36.262 ( -1.386 0.000 -3.050) 3.350 36.637 ( -5.415 0.000 -4.704) 7.173 36.699 ( 17.252 0.000 7.937) 18.990 38.053 ( -35.541 0.000 25.854) 43.949 38.089 ( 5.479 0.000 -1.614) 5.712 38.522 ( -4.025 0.000 0.346) 4.039 39.242 ( 2.764 0.000 -8.274) 8.724 39.253 ( 1.329 0.000 -6.708) 6.838 39.496 ( 5.193 0.000 -19.761) 20.431 39.561 ( -5.972 0.000 -7.573) 9.644 ======================= Grid point 27 (12/54) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 44.510 0.000 15.981) 47.292 2.285 ( 32.484 0.000 11.296) 34.392 2.727 ( -9.516 0.000 -4.063) 10.347 2.782 ( 8.020 0.000 6.427) 10.277 2.934 ( -34.853 0.000 6.860) 35.522 2.991 ( -8.711 0.000 4.534) 9.821 3.108 ( 9.181 0.000 6.852) 11.456 3.155 ( -2.135 0.000 -0.022) 2.135 3.247 ( 6.236 0.000 5.826) 8.534 3.338 ( -1.082 0.000 2.079) 2.344 3.352 ( 3.913 0.000 3.580) 5.303 3.479 ( -8.938 0.000 0.924) 8.985 3.571 ( 4.858 0.000 13.276) 14.137 3.654 ( 1.705 0.000 4.789) 5.083 3.727 ( -4.888 0.000 2.149) 5.339 3.765 ( -10.193 0.000 25.037) 27.032 4.072 ( 20.328 0.000 7.286) 21.595 4.283 ( 10.079 0.000 23.478) 25.550 4.393 ( 3.633 0.000 31.909) 32.115 4.394 ( -5.158 0.000 -5.528) 7.561 4.849 ( 15.567 0.000 -12.905) 20.221 5.001 ( 12.250 0.000 -0.152) 12.251 5.140 ( 18.003 0.000 -0.749) 18.018 5.198 ( 11.675 0.000 23.450) 26.196 5.220 ( -19.306 0.000 -13.257) 23.420 5.484 ( -3.928 0.000 -4.017) 5.618 5.758 ( 4.819 0.000 2.303) 5.341 6.072 ( 15.804 0.000 3.952) 16.291 6.186 ( -0.339 0.000 12.750) 12.754 6.193 ( 1.797 0.000 31.786) 31.836 6.521 ( -28.676 0.000 21.098) 35.602 6.863 ( -41.880 0.000 6.160) 42.331 7.277 ( 11.051 0.000 -16.136) 19.557 7.388 ( -8.656 0.000 -9.191) 12.625 7.753 ( 22.859 0.000 -9.828) 24.882 7.982 ( 6.503 0.000 15.473) 16.784 8.344 ( -35.031 0.000 -8.821) 36.124 8.550 ( -36.692 0.000 4.956) 37.025 8.978 ( 13.666 0.000 -8.226) 15.951 9.023 ( 8.508 0.000 -1.732) 8.682 9.151 ( -0.902 0.000 -7.251) 7.307 9.258 ( -12.622 0.000 5.617) 13.815 9.902 ( 14.115 0.000 -12.292) 18.717 9.998 ( 9.385 0.000 -20.366) 22.424 10.293 ( 11.336 0.000 -7.480) 13.582 10.380 ( 0.092 0.000 -4.609) 4.610 10.480 ( -5.625 0.000 -0.337) 5.635 10.608 ( -17.044 0.000 -14.568) 22.421 10.626 ( 10.616 0.000 1.924) 10.789 10.792 ( -6.958 0.000 2.153) 7.283 11.175 ( 3.507 0.000 9.267) 9.908 11.223 ( -0.357 0.000 9.161) 9.168 11.604 ( 17.589 0.000 8.566) 19.564 11.634 ( -1.757 0.000 0.924) 1.985 11.653 ( -4.789 0.000 0.861) 4.866 11.967 ( -15.624 0.000 6.895) 17.078 12.284 ( 13.854 0.000 -5.307) 14.835 12.462 ( 4.675 0.000 1.004) 4.781 12.544 ( 11.718 0.000 -3.666) 12.278 12.660 ( 3.278 0.000 -0.495) 3.315 12.796 ( -13.142 0.000 0.673) 13.159 12.913 ( -11.796 0.000 3.771) 12.384 13.260 ( -0.788 0.000 -7.710) 7.750 13.337 ( -7.105 0.000 -8.258) 10.894 13.394 ( 16.170 0.000 -4.405) 16.760 13.711 ( -10.612 0.000 -8.806) 13.790 13.827 ( 3.568 0.000 4.590) 5.814 13.884 ( -2.628 0.000 6.724) 7.219 13.955 ( 8.073 0.000 -21.651) 23.107 14.123 ( 7.517 0.000 -12.914) 14.942 14.143 ( -7.976 0.000 -19.016) 20.621 14.246 ( -5.402 0.000 -7.285) 9.069 14.449 ( 2.281 0.000 2.415) 3.321 14.477 ( 0.251 0.000 0.667) 0.713 14.698 ( 4.385 0.000 -5.717) 7.205 14.760 ( -1.981 0.000 -8.911) 9.128 15.166 ( 22.688 0.000 23.928) 32.974 15.610 ( 7.965 0.000 14.607) 16.638 15.661 ( -24.757 0.000 22.864) 33.699 15.773 ( -7.626 0.000 9.554) 12.224 16.716 ( 13.001 0.000 -1.709) 13.112 16.958 ( -10.909 0.000 4.529) 11.812 16.975 ( 2.123 0.000 -3.432) 4.036 17.032 ( -3.526 0.000 -3.802) 5.185 18.677 ( 15.725 0.000 7.071) 17.241 18.699 ( 21.666 0.000 0.113) 21.666 18.921 ( -8.281 0.000 4.091) 9.237 19.107 ( -16.682 0.000 -6.398) 17.867 20.396 ( 3.870 0.000 -17.558) 17.979 20.545 ( -11.376 0.000 -14.774) 18.646 20.552 ( 13.666 0.000 -16.973) 21.791 20.912 ( -20.874 0.000 -14.067) 25.172 21.276 ( 8.486 0.000 4.542) 9.625 21.514 ( -14.195 0.000 2.742) 14.457 22.272 ( 7.275 0.000 5.075) 8.870 22.385 ( -4.059 0.000 9.249) 10.101 22.660 ( 12.625 0.000 4.620) 13.444 22.887 ( -10.154 0.000 7.183) 12.438 23.180 ( 0.275 0.000 3.011) 3.023 23.193 ( -0.947 0.000 3.189) 3.326 23.783 ( 11.451 0.000 8.583) 14.310 24.026 ( -12.295 0.000 10.791) 16.359 24.380 ( 2.199 0.000 6.776) 7.124 24.425 ( -2.226 0.000 9.266) 9.530 24.708 ( 1.608 0.000 6.453) 6.650 24.795 ( -5.791 0.000 1.960) 6.114 25.024 ( 3.274 0.000 4.422) 5.502 25.098 ( -3.827 0.000 4.366) 5.806 25.262 ( 1.840 0.000 6.216) 6.483 25.278 ( 0.593 0.000 6.644) 6.670 25.630 ( 3.053 0.000 4.060) 5.080 25.690 ( -2.643 0.000 3.123) 4.092 26.729 ( 10.541 0.000 -17.999) 20.859 26.828 ( -1.105 0.000 -14.049) 14.092 27.268 ( 1.809 0.000 -6.052) 6.317 27.317 ( -1.941 0.000 -12.157) 12.311 27.438 ( 16.391 0.000 16.684) 23.388 27.682 ( 9.604 0.000 2.441) 9.910 27.805 ( -8.828 0.000 10.648) 13.832 27.957 ( 11.327 0.000 -2.696) 11.643 28.075 ( -20.615 0.000 5.318) 21.290 28.123 ( -4.978 0.000 1.935) 5.341 29.844 ( 6.808 0.000 -17.128) 18.432 29.968 ( -5.217 0.000 -10.167) 11.427 34.868 ( 5.911 0.000 2.297) 6.342 34.995 ( -5.767 0.000 0.539) 5.792 35.056 ( 0.981 0.000 0.667) 1.186 35.076 ( -1.315 0.000 1.301) 1.850 35.205 ( 0.476 0.000 -3.661) 3.692 35.216 ( -0.553 0.000 -3.215) 3.262 35.286 ( 1.440 0.000 -1.446) 2.041 35.327 ( -2.952 0.000 -0.563) 3.005 36.168 ( 4.268 0.000 -10.847) 11.657 36.227 ( -2.124 0.000 -5.968) 6.335 36.229 ( 13.681 0.000 -2.212) 13.858 36.477 ( -10.320 0.000 -3.693) 10.961 37.098 ( 19.903 0.000 8.852) 21.783 37.505 ( -21.488 0.000 18.572) 28.401 38.236 ( 8.407 0.000 -1.338) 8.513 38.403 ( -7.506 0.000 -0.583) 7.529 39.306 ( 4.077 0.000 -6.283) 7.490 39.324 ( 5.486 0.000 -8.837) 10.402 39.420 ( -6.967 0.000 -6.570) 9.576 39.451 ( -6.119 0.000 -12.107) 13.566 ======================= Grid point 30 (13/54) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 33.952 37.872) 50.863 1.603 ( 0.000 40.748 32.727) 52.263 2.194 ( 0.000 47.892 51.821) 70.563 2.694 ( 0.000 -1.860 4.221) 4.612 2.846 ( 0.000 3.948 1.279) 4.150 2.945 ( 0.000 -26.411 16.712) 31.255 3.149 ( 0.000 -6.832 2.805) 7.385 3.187 ( 0.000 -4.628 4.122) 6.197 3.197 ( 0.000 -3.352 1.326) 3.604 3.261 ( 0.000 -1.512 1.161) 1.906 3.297 ( 0.000 -0.637 4.988) 5.028 3.326 ( 0.000 -2.066 -1.300) 2.441 3.343 ( 0.000 -12.380 12.602) 17.666 3.637 ( 0.000 1.145 11.960) 12.015 3.688 ( 0.000 -6.742 -1.558) 6.920 3.857 ( 0.000 -0.253 13.315) 13.318 3.883 ( 0.000 1.754 1.785) 2.502 4.042 ( 0.000 -4.311 27.799) 28.131 4.204 ( 0.000 6.026 27.164) 27.825 4.363 ( 0.000 -6.525 10.599) 12.446 4.763 ( 0.000 -17.543 3.372) 17.864 4.865 ( 0.000 19.045 -7.187) 20.356 4.988 ( 0.000 10.196 -4.594) 11.183 5.222 ( 0.000 23.762 -15.243) 28.231 5.250 ( 0.000 -26.383 -0.454) 26.387 5.372 ( 0.000 -2.707 -6.902) 7.414 5.570 ( 0.000 -11.286 -0.130) 11.287 5.822 ( 0.000 -10.266 7.082) 12.472 6.134 ( 0.000 0.376 18.703) 18.706 6.747 ( 0.000 16.678 1.089) 16.713 6.783 ( 0.000 16.638 11.707) 20.344 7.112 ( 0.000 -3.179 -3.282) 4.570 7.572 ( 0.000 9.658 9.239) 13.366 7.800 ( 0.000 -0.687 -15.441) 15.456 8.115 ( 0.000 -3.023 -3.028) 4.279 8.360 ( 0.000 6.256 5.571) 8.377 8.565 ( 0.000 -7.830 -7.498) 10.841 8.697 ( 0.000 0.067 -4.435) 4.435 9.054 ( 0.000 -7.898 -10.149) 12.860 9.265 ( 0.000 -8.030 -5.941) 9.989 9.292 ( 0.000 -19.791 0.535) 19.798 9.579 ( 0.000 -7.272 -9.019) 11.585 9.670 ( 0.000 2.939 4.170) 5.102 9.685 ( 0.000 1.438 2.434) 2.827 9.906 ( 0.000 -7.974 3.722) 8.800 9.942 ( 0.000 -25.102 -0.034) 25.102 10.361 ( 0.000 19.404 -7.578) 20.831 10.727 ( 0.000 18.297 7.576) 19.804 10.900 ( 0.000 -5.049 -1.687) 5.323 11.075 ( 0.000 7.892 0.246) 7.896 11.135 ( 0.000 0.563 3.671) 3.714 11.199 ( 0.000 -3.047 3.456) 4.608 11.351 ( 0.000 24.273 -3.621) 24.542 11.668 ( 0.000 -8.791 -0.193) 8.793 11.756 ( 0.000 -4.514 4.129) 6.118 12.121 ( 0.000 24.311 -0.128) 24.311 12.126 ( 0.000 7.845 1.688) 8.024 12.250 ( 0.000 15.321 -0.781) 15.341 12.347 ( 0.000 1.139 -11.237) 11.294 12.751 ( 0.000 -14.339 -13.486) 19.684 12.847 ( 0.000 -20.449 -2.467) 20.598 13.087 ( 0.000 3.562 -2.959) 4.631 13.184 ( 0.000 -5.281 -1.524) 5.497 13.343 ( 0.000 -11.135 2.717) 11.461 13.447 ( 0.000 -11.644 -4.982) 12.665 13.638 ( 0.000 2.121 -9.537) 9.770 13.741 ( 0.000 2.357 -4.240) 4.851 13.761 ( 0.000 3.709 5.175) 6.367 13.925 ( 0.000 -8.120 -0.288) 8.125 14.039 ( 0.000 -7.237 -5.799) 9.274 14.088 ( 0.000 5.834 -3.641) 6.877 14.302 ( 0.000 -2.823 -2.470) 3.751 14.461 ( 0.000 0.858 9.625) 9.663 14.516 ( 0.000 0.506 6.789) 6.808 14.623 ( 0.000 2.533 9.771) 10.094 14.875 ( 0.000 1.426 -7.066) 7.208 14.942 ( 0.000 5.537 -18.113) 18.940 15.183 ( 0.000 -7.106 -1.533) 7.269 15.812 ( 0.000 16.314 17.639) 24.026 16.470 ( 0.000 14.432 -12.674) 19.207 16.512 ( 0.000 14.752 9.510) 17.552 16.754 ( 0.000 -18.300 3.843) 18.699 17.116 ( 0.000 -4.586 -0.219) 4.592 17.166 ( 0.000 -6.242 10.034) 11.817 18.124 ( 0.000 0.237 3.926) 3.933 18.140 ( 0.000 0.360 9.514) 9.521 19.139 ( 0.000 5.159 -1.670) 5.423 19.294 ( 0.000 -2.548 -6.929) 7.383 20.292 ( 0.000 -1.490 -19.019) 19.078 20.322 ( 0.000 -1.819 -18.378) 18.468 20.900 ( 0.000 3.001 -12.876) 13.221 21.405 ( 0.000 -15.491 -15.952) 22.236 21.511 ( 0.000 17.376 8.002) 19.129 21.958 ( 0.000 4.510 1.473) 4.744 22.123 ( 0.000 8.877 -6.084) 10.762 22.184 ( 0.000 1.841 4.981) 5.310 22.358 ( 0.000 -11.523 15.124) 19.014 22.829 ( 0.000 -19.272 2.279) 19.407 23.046 ( 0.000 -9.491 2.394) 9.789 23.147 ( 0.000 -8.449 7.870) 11.547 23.788 ( 0.000 17.589 8.780) 19.659 24.265 ( 0.000 -4.929 3.008) 5.774 24.371 ( 0.000 10.105 14.919) 18.019 24.691 ( 0.000 19.285 7.389) 20.652 24.976 ( 0.000 -0.456 2.806) 2.843 25.007 ( 0.000 3.357 4.077) 5.281 25.127 ( 0.000 -3.181 3.890) 5.024 25.174 ( 0.000 -2.676 4.638) 5.355 25.195 ( 0.000 -35.422 30.369) 46.658 25.271 ( 0.000 4.398 5.083) 6.722 25.479 ( 0.000 -10.671 8.793) 13.827 25.627 ( 0.000 -20.230 14.669) 24.989 26.264 ( 0.000 2.690 -7.497) 7.965 26.377 ( 0.000 -1.943 -4.864) 5.238 27.224 ( 0.000 8.145 -4.076) 9.108 27.341 ( 0.000 0.015 1.354) 1.354 27.342 ( 0.000 4.490 1.676) 4.793 27.538 ( 0.000 -3.893 -5.417) 6.671 27.593 ( 0.000 9.536 -4.900) 10.721 27.858 ( 0.000 -3.203 0.921) 3.333 28.082 ( 0.000 1.472 8.302) 8.431 28.321 ( 0.000 -16.088 13.080) 20.735 28.880 ( 0.000 10.696 9.210) 14.115 29.766 ( 0.000 -21.621 -4.500) 22.085 34.764 ( 0.000 2.443 3.623) 4.370 34.935 ( 0.000 -5.679 1.632) 5.908 35.178 ( 0.000 1.055 -0.928) 1.405 35.234 ( 0.000 -1.106 -1.778) 2.094 35.275 ( 0.000 1.577 -2.308) 2.795 35.275 ( 0.000 3.946 -4.226) 5.782 35.518 ( 0.000 1.940 0.514) 2.007 35.573 ( 0.000 -1.056 2.255) 2.490 35.810 ( 0.000 6.368 -0.782) 6.416 36.147 ( 0.000 3.896 -13.916) 14.451 36.293 ( 0.000 27.292 -26.028) 37.713 36.655 ( 0.000 4.047 -0.814) 4.128 36.770 ( 0.000 15.615 1.171) 15.659 37.791 ( 0.000 -21.202 -0.937) 21.223 38.515 ( 0.000 2.862 0.483) 2.903 38.845 ( 0.000 -7.310 -6.612) 9.857 39.238 ( 0.000 4.905 -11.551) 12.549 39.264 ( 0.000 1.748 -7.434) 7.636 39.471 ( 0.000 16.958 -22.535) 28.203 39.649 ( 0.000 1.539 -10.426) 10.539 ======================= Grid point 31 (14/54) ======================= q-point: ( 0.20 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 22.329 32.247 24.047) 46.008 1.879 ( 25.537 29.460 28.017) 48.010 2.649 ( 31.206 27.386 34.364) 53.895 2.726 ( 4.203 -2.484 2.781) 5.619 2.855 ( 0.220 3.769 -0.192) 3.780 3.011 ( 3.698 -16.617 6.540) 18.237 3.115 ( -0.349 -4.771 3.961) 6.211 3.162 ( -1.363 -4.483 -0.483) 4.710 3.225 ( 0.830 -3.811 3.859) 5.486 3.257 ( -1.934 1.255 5.338) 5.815 3.307 ( -0.853 -2.699 1.521) 3.213 3.423 ( 13.165 -1.475 1.235) 13.304 3.505 ( 8.551 -10.217 8.426) 15.765 3.667 ( 5.129 2.877 15.071) 16.178 3.730 ( -3.995 -1.212 2.736) 4.992 3.773 ( -1.134 0.411 2.896) 3.137 3.974 ( 6.977 -3.895 14.982) 16.980 4.180 ( -3.047 -4.730 16.246) 17.193 4.221 ( 1.344 2.226 28.681) 28.799 4.364 ( 13.559 -8.440 25.657) 30.222 4.528 ( -9.116 -1.425 9.088) 12.951 4.835 ( -9.250 4.084 -9.350) 13.771 5.007 ( 1.094 -1.010 -7.091) 7.246 5.145 ( -0.959 12.954 -12.678) 18.151 5.180 ( 0.540 -10.234 1.048) 10.302 5.414 ( 4.571 -8.292 -2.140) 9.707 5.673 ( 11.565 -3.757 -1.026) 12.203 5.910 ( -6.456 -9.252 1.083) 11.333 6.153 ( 11.553 11.090 22.657) 27.745 6.709 ( -2.716 17.402 5.628) 18.491 6.976 ( 8.721 14.725 -0.132) 17.114 7.156 ( -21.018 6.073 8.582) 23.501 7.326 ( 14.782 -1.998 -6.940) 16.452 7.625 ( -30.461 -6.232 2.693) 31.208 7.861 ( -10.146 16.346 -3.656) 19.583 8.170 ( -16.201 -6.547 6.238) 18.554 8.598 ( -11.644 -16.677 -7.142) 21.557 8.789 ( -7.096 -9.431 -6.208) 13.335 8.948 ( 3.383 3.349 -10.871) 11.867 9.120 ( -4.813 -0.347 0.747) 4.883 9.270 ( -11.005 -5.506 -0.904) 12.339 9.309 ( -12.588 -2.131 -1.563) 12.862 9.614 ( -3.395 -6.632 -1.898) 7.689 9.778 ( 5.682 -3.322 -2.675) 7.104 9.913 ( 2.023 -18.656 -7.219) 20.106 10.044 ( 14.241 -18.156 -1.479) 23.122 10.396 ( 3.428 11.961 -3.474) 12.919 10.662 ( -6.364 11.079 2.856) 13.092 10.889 ( -2.846 -3.597 -3.899) 6.020 11.029 ( -5.904 4.622 2.645) 7.950 11.131 ( -4.100 0.633 -0.337) 4.162 11.247 ( 2.357 0.411 5.229) 5.751 11.489 ( 11.793 19.988 -0.830) 23.223 11.664 ( 2.937 -2.194 1.890) 4.125 11.914 ( 13.722 -2.011 -0.722) 13.888 12.069 ( -2.850 23.625 2.077) 23.887 12.196 ( 3.428 5.501 -3.020) 7.151 12.361 ( 10.965 12.230 0.074) 16.426 12.466 ( 5.331 4.657 -5.874) 9.198 12.674 ( -3.040 -9.355 -4.362) 10.761 12.860 ( 0.693 -9.114 -4.706) 10.280 13.095 ( -1.743 2.985 -2.088) 4.038 13.171 ( -0.723 -12.307 -0.100) 12.329 13.242 ( -4.563 -9.690 -2.148) 10.924 13.440 ( -8.964 -0.253 1.787) 9.144 13.602 ( 1.605 -5.062 -5.576) 7.700 13.677 ( 0.595 -2.111 -5.459) 5.883 13.803 ( 1.865 -8.502 -3.156) 9.259 13.928 ( -0.715 -1.114 -4.549) 4.738 14.004 ( -1.869 2.238 -0.690) 2.996 14.165 ( 4.668 -7.053 -5.788) 10.249 14.311 ( -2.947 -2.478 -6.205) 7.302 14.372 ( -1.262 2.104 -1.828) 3.060 14.463 ( -1.056 0.372 4.405) 4.545 14.706 ( 2.316 2.632 -4.207) 5.476 14.833 ( -3.581 3.667 -4.580) 6.874 14.977 ( 12.310 11.271 3.323) 17.018 15.569 ( 16.473 1.839 5.045) 17.326 15.900 ( 6.680 4.082 9.706) 12.470 16.327 ( -14.490 14.721 14.466) 25.218 16.432 ( -1.212 9.850 -5.350) 11.275 16.771 ( 0.397 -15.092 1.752) 15.199 17.052 ( -4.839 -6.280 -2.980) 8.469 17.079 ( -7.070 -6.742 7.050) 12.047 18.299 ( 15.620 0.044 4.307) 16.203 18.328 ( 15.893 -0.314 9.282) 18.408 19.082 ( -4.850 4.221 0.758) 6.474 19.267 ( -4.708 -4.286 -8.212) 10.391 20.328 ( 3.018 -1.722 -18.569) 18.891 20.344 ( 2.998 -1.827 -18.377) 18.709 20.798 ( -10.398 1.681 -13.376) 17.025 21.179 ( -17.293 -12.132 -14.305) 25.512 21.421 ( -3.331 17.472 7.147) 19.168 21.933 ( -8.247 9.482 0.503) 12.577 22.154 ( 2.695 4.894 1.705) 5.841 22.310 ( 4.133 -8.880 7.140) 12.121 22.386 ( 10.044 -3.269 7.323) 12.853 22.881 ( 3.529 -19.132 2.241) 19.584 22.991 ( -5.534 -7.217 4.492) 10.143 23.084 ( -3.944 -7.436 6.752) 10.791 23.834 ( 4.598 15.974 8.118) 18.499 24.279 ( 1.090 -4.426 3.305) 5.630 24.331 ( -4.283 6.363 14.113) 16.063 24.632 ( -12.246 7.757 15.665) 21.343 24.808 ( -8.188 -0.460 15.718) 17.729 24.952 ( -2.823 3.597 1.463) 4.801 25.018 ( 1.807 4.055 4.432) 6.273 25.150 ( 1.433 -2.751 4.334) 5.330 25.195 ( 1.335 -2.926 5.477) 6.352 25.257 ( -1.474 3.331 6.008) 7.026 25.492 ( 1.419 -7.993 5.494) 9.802 25.587 ( -1.334 -13.159 6.052) 14.546 26.473 ( 18.035 5.074 -11.078) 21.765 26.748 ( 14.375 -7.100 -9.734) 18.756 27.189 ( -1.579 1.119 -6.037) 6.339 27.291 ( -1.923 -1.873 -8.491) 8.905 27.393 ( 4.348 6.310 8.488) 11.435 27.504 ( 3.423 2.654 0.870) 4.418 27.753 ( 14.929 7.133 -5.674) 17.491 28.006 ( -5.591 0.775 7.491) 9.379 28.103 ( -0.276 -3.055 5.446) 6.251 28.554 ( 7.839 -2.639 -1.422) 8.392 28.912 ( 14.797 -24.830 5.652) 29.452 29.726 ( -4.152 -24.314 -4.029) 24.993 34.800 ( 3.496 2.529 3.252) 5.403 34.956 ( 2.014 -4.870 1.514) 5.483 35.143 ( -3.620 1.064 -0.459) 3.801 35.190 ( -4.307 -0.442 -0.464) 4.354 35.277 ( 0.618 2.843 -3.019) 4.193 35.293 ( 1.099 3.051 -3.193) 4.551 35.395 ( -5.910 7.729 -1.555) 9.853 35.479 ( -6.699 3.660 -0.099) 7.634 35.978 ( 12.585 3.722 -1.162) 13.175 36.215 ( 3.537 -3.625 -5.465) 7.451 36.293 ( -0.107 20.241 -20.998) 29.165 36.625 ( -4.769 -0.825 -5.388) 7.243 36.907 ( 13.700 18.752 2.656) 23.374 37.867 ( 7.078 -19.508 -0.913) 20.772 38.217 ( -29.259 12.805 8.428) 33.032 38.557 ( -11.283 0.656 -1.458) 11.395 39.267 ( 1.139 2.012 -7.437) 7.788 39.284 ( 2.217 1.937 -7.907) 8.438 39.505 ( -0.955 1.776 -14.814) 14.950 39.576 ( -6.794 0.416 -10.908) 12.858 ======================= Grid point 32 (15/54) ======================= q-point: ( 0.40 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 31.628 17.774 11.931) 38.192 2.460 ( 26.620 15.576 11.658) 32.972 2.786 ( -9.234 5.143 -4.190) 11.370 2.834 ( 7.898 3.218 4.277) 9.541 2.908 ( -17.170 -0.361 4.110) 17.659 3.029 ( 3.586 -4.756 8.127) 10.076 3.033 ( -8.726 0.257 4.049) 9.623 3.106 ( -5.467 -4.490 1.172) 7.171 3.196 ( 5.755 -4.333 4.883) 8.702 3.308 ( 0.720 -3.623 4.859) 6.103 3.336 ( 5.070 -0.549 5.018) 7.154 3.486 ( -9.191 -2.151 1.770) 9.603 3.591 ( -0.728 -0.989 5.422) 5.560 3.612 ( 1.538 -0.729 9.792) 9.939 3.712 ( -1.659 3.619 9.495) 10.296 3.874 ( -8.935 6.641 22.468) 25.075 4.126 ( 11.283 -2.215 16.427) 20.051 4.186 ( 9.695 -2.721 17.332) 20.045 4.283 ( 9.138 -7.225 9.078) 14.769 4.390 ( -3.794 -7.656 8.883) 12.325 4.708 ( 10.086 -8.058 16.293) 20.787 4.811 ( 1.136 1.206 -1.614) 2.313 5.028 ( 4.986 -8.419 -4.349) 10.708 5.104 ( -0.102 -4.740 -6.671) 8.184 5.391 ( 13.343 1.101 1.553) 13.478 5.666 ( 5.038 16.269 -0.365) 17.035 5.861 ( 23.639 -0.055 9.325) 25.412 6.026 ( 19.051 5.106 2.026) 19.827 6.344 ( 2.189 4.746 15.727) 16.573 6.409 ( -25.956 15.225 19.131) 35.659 6.603 ( -17.139 6.435 11.827) 21.795 6.790 ( -38.819 -3.867 6.754) 39.591 7.363 ( 5.902 8.807 -9.699) 14.368 7.521 ( -16.075 13.982 -6.482) 22.269 7.747 ( 18.034 -0.949 -7.912) 19.716 7.966 ( 16.508 0.387 10.483) 19.559 8.268 ( -31.346 -8.523 -7.070) 33.245 8.567 ( -31.567 0.628 2.437) 31.667 8.612 ( 5.775 -20.924 -2.672) 21.870 8.877 ( -14.163 -14.988 2.458) 20.767 9.231 ( 12.638 6.480 -9.300) 16.976 9.414 ( -2.976 5.226 -2.682) 6.585 9.711 ( 12.476 -17.332 -9.357) 23.315 9.893 ( -4.059 -17.921 -6.965) 19.650 10.000 ( 13.168 -3.220 -13.452) 19.098 10.308 ( -14.182 2.111 -9.094) 16.979 10.364 ( 17.356 -12.485 -4.922) 21.939 10.612 ( -0.627 -0.362 -1.686) 1.835 10.801 ( -2.901 6.202 1.173) 6.947 10.904 ( -10.636 7.758 0.708) 13.184 11.021 ( 1.548 -6.632 4.774) 8.317 11.150 ( -8.289 -5.549 6.373) 11.837 11.775 ( 14.425 15.162 1.774) 21.002 11.838 ( 10.871 14.207 3.029) 18.144 11.979 ( -5.567 17.982 0.992) 18.850 12.077 ( -5.372 6.340 2.213) 8.600 12.276 ( 7.058 3.138 -3.128) 8.333 12.412 ( -6.038 -6.346 -6.002) 10.619 12.605 ( 10.993 9.971 3.344) 15.213 12.729 ( 2.288 7.186 -0.829) 7.587 12.876 ( 2.124 8.587 -1.543) 8.979 13.008 ( -4.960 -2.443 -3.301) 6.439 13.116 ( -1.604 -9.713 -2.670) 10.201 13.218 ( -8.075 -4.566 -4.250) 10.204 13.347 ( 9.570 -6.773 -0.055) 11.725 13.568 ( -8.498 -10.853 0.485) 13.792 13.734 ( 6.115 -13.023 -5.803) 15.514 13.810 ( -0.464 -17.334 -1.563) 17.411 13.934 ( -0.475 8.828 -5.698) 10.518 13.973 ( -2.424 2.309 -0.647) 3.409 14.182 ( 1.597 -0.878 -4.965) 5.289 14.261 ( -3.672 -1.281 -10.280) 10.991 14.439 ( 6.497 1.203 -14.224) 15.683 14.497 ( 2.023 1.470 -3.834) 4.577 14.683 ( -1.572 -5.055 -8.840) 10.304 14.738 ( -5.326 -1.341 -5.182) 7.551 15.351 ( 20.749 16.451 16.921) 31.424 15.691 ( -7.193 13.553 16.493) 22.527 15.928 ( 0.530 14.064 10.032) 17.284 16.054 ( -10.088 18.155 16.128) 26.296 16.541 ( 10.229 -9.472 -1.072) 13.982 16.726 ( -6.045 -14.781 1.786) 16.069 16.956 ( -3.099 -7.035 0.193) 7.690 16.965 ( -3.065 -7.868 -3.427) 9.112 18.674 ( 16.359 -0.376 6.329) 17.545 18.682 ( 20.315 -1.086 2.681) 20.520 18.940 ( -9.714 1.763 3.463) 10.462 19.062 ( -15.418 -3.610 -3.423) 16.201 20.392 ( 4.741 0.002 -17.699) 18.323 20.496 ( 11.589 -4.505 -17.197) 21.222 20.552 ( -11.138 1.385 -15.355) 19.020 20.806 ( -18.057 -8.895 -14.887) 25.036 21.471 ( 7.492 17.703 4.724) 19.795 21.687 ( -12.900 15.434 3.052) 20.345 22.239 ( 4.191 -6.013 5.600) 9.224 22.304 ( -2.050 -8.814 9.147) 12.867 22.643 ( 11.658 -0.565 4.048) 12.354 22.844 ( -8.338 -3.204 4.966) 10.220 22.948 ( 3.025 -15.531 2.896) 16.085 23.013 ( -3.337 -11.204 3.675) 12.254 23.969 ( 8.452 12.481 7.902) 17.019 24.162 ( -10.045 8.908 10.275) 16.907 24.330 ( 2.916 -4.803 6.982) 8.962 24.415 ( -6.106 -2.468 10.996) 12.817 24.819 ( 3.134 11.798 4.209) 12.913 24.887 ( -3.382 8.438 2.417) 9.406 25.072 ( 3.323 4.320 4.368) 6.985 25.139 ( -2.676 3.088 4.544) 6.111 25.227 ( 1.502 -3.305 6.024) 7.033 25.242 ( -0.112 -2.364 6.368) 6.794 25.524 ( 1.677 -9.811 3.616) 10.589 25.558 ( -1.581 -11.648 4.168) 12.471 26.812 ( 11.483 6.982 -17.110) 21.757 26.896 ( 2.091 5.339 -12.900) 14.117 27.181 ( 1.590 -5.477 -6.456) 8.614 27.248 ( -3.534 -5.755 -12.678) 14.364 27.558 ( 12.450 7.482 12.192) 18.964 27.690 ( 12.111 -0.083 3.135) 12.510 27.828 ( -10.288 2.273 8.815) 13.737 27.964 ( -9.644 -4.238 3.657) 11.151 28.084 ( 13.629 13.054 -0.038) 18.872 28.380 ( -14.568 19.432 3.545) 24.543 29.329 ( 17.022 -40.766 -6.695) 44.682 29.589 ( -9.503 -30.953 -4.774) 32.729 34.900 ( 6.118 2.559 2.247) 7.002 35.011 ( 3.136 -2.566 1.247) 4.240 35.035 ( -6.435 1.809 0.942) 6.751 35.091 ( -4.574 -0.195 0.948) 4.676 35.295 ( 1.046 3.892 -2.956) 4.998 35.315 ( 0.111 4.549 -3.235) 5.583 35.332 ( -0.163 4.973 -2.381) 5.516 35.375 ( -3.442 4.353 -1.851) 5.850 36.240 ( 11.309 1.428 -3.104) 11.814 36.264 ( 2.896 2.036 -5.482) 6.526 36.284 ( -0.809 9.398 -11.767) 15.081 36.474 ( -9.719 -0.503 -4.429) 10.693 37.244 ( 18.538 14.735 6.218) 24.483 37.660 ( -23.251 15.314 11.772) 30.228 38.070 ( 11.846 -15.625 -1.086) 19.638 38.326 ( -12.515 -8.364 -1.296) 15.108 39.311 ( 3.564 1.143 -6.853) 7.809 39.345 ( 3.915 0.826 -7.832) 8.795 39.420 ( -6.992 -0.021 -7.188) 10.028 39.438 ( -4.855 -0.905 -10.050) 11.198 ======================= Grid point 35 (16/54) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.000 -28.983 21.183) 35.899 2.202 ( 0.000 28.983 21.183) 35.899 2.320 ( 0.000 -27.815 33.019) 43.173 2.320 ( 0.000 27.815 33.019) 43.173 3.010 ( 0.000 -9.525 3.828) 10.265 3.010 ( 0.000 9.525 3.828) 10.265 3.078 ( 0.000 -6.570 5.192) 8.374 3.078 ( 0.000 6.570 5.192) 8.374 3.249 ( 0.000 -0.519 1.740) 1.816 3.249 ( 0.000 0.519 1.740) 1.816 3.260 ( 0.000 -8.996 0.558) 9.013 3.260 ( 0.000 8.996 0.558) 9.013 3.401 ( 0.000 -24.831 7.651) 25.983 3.401 ( 0.000 24.831 7.651) 25.983 3.774 ( 0.000 -10.019 14.545) 17.662 3.774 ( 0.000 10.019 14.545) 17.662 3.922 ( 0.000 -3.387 22.883) 23.132 3.922 ( 0.000 3.387 22.883) 23.132 4.376 ( 0.000 -0.155 10.533) 10.534 4.376 ( 0.000 0.155 10.533) 10.534 4.482 ( 0.000 -11.417 -2.199) 11.627 4.482 ( 0.000 11.417 -2.199) 11.627 5.232 ( 0.000 -4.857 -2.369) 5.404 5.232 ( 0.000 4.857 -2.369) 5.404 5.315 ( 0.000 -3.048 -0.180) 3.053 5.315 ( 0.000 3.048 -0.180) 3.053 5.632 ( 0.000 -11.491 -5.681) 12.819 5.632 ( 0.000 11.491 -5.681) 12.819 6.511 ( 0.000 -30.979 12.414) 33.374 6.511 ( 0.000 30.979 12.414) 33.374 7.001 ( 0.000 -8.381 -1.341) 8.488 7.001 ( 0.000 8.381 -1.341) 8.488 7.866 ( 0.000 -16.783 5.009) 17.515 7.866 ( 0.000 16.783 5.009) 17.515 8.159 ( 0.000 -28.971 -11.016) 30.995 8.159 ( 0.000 28.971 -11.016) 30.995 8.716 ( 0.000 -7.770 -1.103) 7.848 8.716 ( 0.000 7.770 -1.103) 7.848 8.975 ( 0.000 -9.518 -6.263) 11.394 8.975 ( 0.000 9.518 -6.263) 11.394 9.215 ( 0.000 -9.847 -5.549) 11.303 9.215 ( 0.000 9.847 -5.549) 11.303 9.713 ( 0.000 -1.437 3.418) 3.708 9.713 ( 0.000 1.437 3.418) 3.708 9.765 ( 0.000 -4.486 4.510) 6.361 9.765 ( 0.000 4.486 4.510) 6.361 10.713 ( 0.000 -13.636 -7.123) 15.385 10.713 ( 0.000 13.636 -7.123) 15.385 11.090 ( 0.000 -12.151 8.357) 14.747 11.090 ( 0.000 12.151 8.357) 14.747 11.155 ( 0.000 -1.013 1.557) 1.857 11.155 ( 0.000 1.013 1.557) 1.857 11.512 ( 0.000 -4.027 -3.202) 5.145 11.512 ( 0.000 4.027 -3.202) 5.145 12.164 ( 0.000 -28.578 -6.573) 29.324 12.164 ( 0.000 28.578 -6.573) 29.324 12.346 ( 0.000 -8.410 -7.440) 11.228 12.346 ( 0.000 8.410 -7.440) 11.228 12.387 ( 0.000 -13.519 0.844) 13.545 12.387 ( 0.000 13.519 0.844) 13.545 12.845 ( 0.000 -22.844 -4.402) 23.264 12.845 ( 0.000 22.844 -4.402) 23.264 13.228 ( 0.000 -7.648 -1.418) 7.779 13.228 ( 0.000 7.648 -1.418) 7.779 13.447 ( 0.000 -14.815 -1.825) 14.927 13.447 ( 0.000 14.815 -1.825) 14.927 13.764 ( 0.000 -1.109 4.645) 4.775 13.764 ( 0.000 1.109 4.645) 4.775 13.924 ( 0.000 -5.011 -10.025) 11.207 13.924 ( 0.000 5.011 -10.025) 11.207 14.245 ( 0.000 -4.751 -6.681) 8.198 14.245 ( 0.000 4.751 -6.681) 8.198 14.466 ( 0.000 -1.123 15.422) 15.463 14.466 ( 0.000 1.123 15.422) 15.463 14.806 ( 0.000 -10.826 11.991) 16.155 14.806 ( 0.000 10.826 11.991) 16.155 14.992 ( 0.000 -2.937 -17.183) 17.432 14.992 ( 0.000 2.937 -17.183) 17.432 16.275 ( 0.000 -25.978 10.997) 28.210 16.275 ( 0.000 25.978 10.997) 28.210 16.710 ( 0.000 -1.932 -9.221) 9.421 16.710 ( 0.000 1.932 -9.221) 9.421 17.049 ( 0.000 -2.266 8.852) 9.138 17.049 ( 0.000 2.266 8.852) 9.138 18.134 ( 0.000 -0.657 7.904) 7.931 18.134 ( 0.000 0.657 7.904) 7.931 19.228 ( 0.000 -3.752 -4.269) 5.684 19.228 ( 0.000 3.752 -4.269) 5.684 20.287 ( 0.000 -1.077 -18.833) 18.864 20.287 ( 0.000 1.077 -18.833) 18.864 21.093 ( 0.000 -14.102 -17.781) 22.694 21.093 ( 0.000 14.102 -17.781) 22.694 21.948 ( 0.000 -22.709 12.272) 25.812 21.948 ( 0.000 22.709 12.272) 25.812 22.068 ( 0.000 -6.414 2.892) 7.036 22.068 ( 0.000 6.414 2.892) 7.036 22.476 ( 0.000 -16.250 -2.915) 16.510 22.476 ( 0.000 16.250 -2.915) 16.510 23.002 ( 0.000 -4.176 6.212) 7.485 23.002 ( 0.000 4.176 6.212) 7.485 24.092 ( 0.000 -11.961 6.132) 13.442 24.092 ( 0.000 11.961 6.132) 13.442 24.627 ( 0.000 -16.858 25.755) 30.782 24.627 ( 0.000 16.858 25.755) 30.782 25.021 ( 0.000 -1.111 0.813) 1.377 25.021 ( 0.000 1.111 0.813) 1.377 25.097 ( 0.000 -4.131 4.864) 6.381 25.097 ( 0.000 4.131 4.864) 6.381 25.189 ( 0.000 -18.218 4.602) 18.790 25.189 ( 0.000 18.218 4.602) 18.790 25.380 ( 0.000 -6.348 7.887) 10.124 25.380 ( 0.000 6.348 7.887) 10.124 26.325 ( 0.000 -3.011 -5.926) 6.648 26.325 ( 0.000 3.011 -5.926) 6.648 27.334 ( 0.000 -1.376 -1.282) 1.881 27.334 ( 0.000 1.376 -1.282) 1.881 27.428 ( 0.000 -6.207 -0.115) 6.208 27.428 ( 0.000 6.207 -0.115) 6.208 27.759 ( 0.000 -6.520 -3.914) 7.604 27.759 ( 0.000 6.520 -3.914) 7.604 28.137 ( 0.000 -4.553 9.995) 10.983 28.137 ( 0.000 4.553 9.995) 10.983 29.263 ( 0.000 -24.545 1.603) 24.597 29.263 ( 0.000 24.545 1.603) 24.597 34.833 ( 0.000 -4.281 2.986) 5.219 34.833 ( 0.000 4.281 2.986) 5.219 35.206 ( 0.000 -1.520 -1.327) 2.018 35.206 ( 0.000 1.520 -1.327) 2.018 35.304 ( 0.000 -0.708 -3.356) 3.430 35.304 ( 0.000 0.708 -3.356) 3.430 35.547 ( 0.000 -1.336 1.699) 2.162 35.547 ( 0.000 1.336 1.699) 2.162 35.982 ( 0.000 -9.867 -1.473) 9.976 35.982 ( 0.000 9.867 -1.473) 9.976 36.632 ( 0.000 -5.622 -13.885) 14.980 36.632 ( 0.000 5.622 -13.885) 14.980 37.266 ( 0.000 -28.113 1.598) 28.159 37.266 ( 0.000 28.113 1.598) 28.159 38.662 ( 0.000 -9.602 -4.536) 10.620 38.662 ( 0.000 9.602 -4.536) 10.620 39.286 ( 0.000 -0.225 -8.608) 8.611 39.286 ( 0.000 0.225 -8.608) 8.611 39.652 ( 0.000 -2.544 -16.818) 17.009 39.652 ( 0.000 2.544 -16.818) 17.009 ======================= Grid point 37 (17/54) ======================= q-point: ( 0.20 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 14.151 -26.565 15.986) 34.081 2.359 ( 14.151 26.565 15.986) 34.081 2.502 ( 14.408 -27.102 22.312) 37.947 2.502 ( 14.408 27.102 22.312) 37.947 3.003 ( -1.111 -8.857 3.041) 9.430 3.003 ( -1.111 8.857 3.041) 9.430 3.064 ( 0.216 -6.818 3.933) 7.873 3.064 ( 0.216 6.818 3.933) 7.873 3.225 ( -4.167 -3.834 1.389) 5.830 3.225 ( -4.167 3.834 1.389) 5.830 3.341 ( 4.154 -3.398 2.719) 6.016 3.341 ( 4.154 3.398 2.719) 6.016 3.589 ( 11.595 -11.296 1.111) 16.226 3.589 ( 11.595 11.296 1.111) 16.226 3.836 ( 5.981 -6.686 14.843) 17.343 3.836 ( 5.981 6.686 14.843) 17.343 4.041 ( 14.014 -20.852 29.082) 38.431 4.041 ( 14.014 20.852 29.082) 38.431 4.207 ( -11.107 -6.673 5.081) 13.918 4.207 ( -11.107 6.673 5.081) 13.918 4.513 ( 3.106 -12.259 11.503) 17.096 4.513 ( 3.106 12.259 11.503) 17.096 5.093 ( -9.666 -7.659 -6.242) 13.822 5.093 ( -9.666 7.659 -6.242) 13.822 5.328 ( 1.555 -4.089 2.705) 5.143 5.328 ( 1.555 4.089 2.705) 5.143 5.722 ( 10.072 -9.014 -4.617) 14.283 5.722 ( 10.072 9.014 -4.617) 14.283 6.569 ( 4.136 -24.037 8.964) 25.985 6.569 ( 4.136 24.037 8.964) 25.985 7.234 ( 15.669 -7.550 -1.436) 17.453 7.234 ( 15.669 7.550 -1.436) 17.453 7.427 ( -27.684 -17.195 4.853) 32.949 7.427 ( -27.684 17.195 4.853) 32.949 8.149 ( -9.617 -22.662 -3.900) 24.926 8.149 ( -9.617 22.662 -3.900) 24.926 8.478 ( -22.099 -22.172 -0.781) 31.314 8.478 ( -22.099 22.172 -0.781) 31.314 9.047 ( 6.945 -6.010 -8.712) 12.659 9.047 ( 6.945 6.010 -8.712) 12.659 9.243 ( -8.909 -6.174 -5.496) 12.153 9.243 ( -8.909 6.174 -5.496) 12.153 9.540 ( -3.799 -5.558 7.909) 10.386 9.540 ( -3.799 5.558 7.909) 10.386 9.834 ( 8.733 -5.490 -5.083) 11.500 9.834 ( 8.733 5.490 -5.083) 11.500 10.675 ( -3.584 -12.140 -7.463) 14.694 10.675 ( -3.584 12.140 -7.463) 14.694 10.979 ( -8.400 -11.174 2.748) 14.247 10.979 ( -8.400 11.174 2.748) 14.247 11.141 ( -2.379 -3.344 5.733) 7.051 11.141 ( -2.379 3.344 5.733) 7.051 11.746 ( 16.675 -6.924 -3.357) 18.364 11.746 ( 16.675 6.924 -3.357) 18.364 12.095 ( -2.813 -20.956 -3.144) 21.377 12.095 ( -2.813 20.956 -3.144) 21.377 12.428 ( 6.704 -10.112 -5.164) 13.185 12.428 ( 6.704 10.112 -5.164) 13.185 12.506 ( 6.965 -17.878 -1.555) 19.250 12.506 ( 6.965 17.878 -1.555) 19.250 12.898 ( 5.984 -18.635 -3.035) 19.806 12.898 ( 5.984 18.635 -3.035) 19.806 13.131 ( -6.797 -2.053 0.747) 7.140 13.131 ( -6.797 2.053 0.747) 7.140 13.483 ( -0.868 -9.622 -0.166) 9.662 13.483 ( -0.868 9.622 -0.166) 9.662 13.638 ( -7.755 -4.406 1.537) 9.051 13.638 ( -7.755 4.406 1.537) 9.051 13.995 ( 5.644 -3.454 -7.592) 10.071 13.995 ( 5.644 3.454 -7.592) 10.071 14.197 ( -3.146 -7.227 -5.023) 9.347 14.197 ( -3.146 7.227 -5.023) 9.347 14.423 ( -0.862 -2.750 2.662) 3.923 14.423 ( -0.862 2.750 2.662) 3.923 14.803 ( -4.009 -4.702 -6.292) 8.819 14.803 ( -4.009 4.702 -6.292) 8.819 15.285 ( 23.921 -18.980 4.919) 30.930 15.285 ( 23.921 18.980 4.919) 30.930 16.236 ( -4.099 -21.920 12.474) 25.551 16.236 ( -4.099 21.920 12.474) 25.551 16.687 ( -1.790 -3.344 -6.610) 7.621 16.687 ( -1.790 3.344 -6.610) 7.621 16.925 ( -9.985 -1.986 6.497) 12.077 16.925 ( -9.985 1.986 6.497) 12.077 18.311 ( 15.403 -1.035 7.761) 17.279 18.311 ( 15.403 1.035 7.761) 17.279 19.174 ( -5.572 -4.646 -2.933) 7.825 19.174 ( -5.572 4.646 -2.933) 7.825 20.314 ( 2.834 -0.602 -18.614) 18.838 20.314 ( 2.834 0.602 -18.614) 18.838 20.929 ( -13.936 -10.588 -15.789) 23.571 20.929 ( -13.936 10.588 -15.789) 23.571 21.854 ( -1.553 -21.237 7.208) 22.481 21.854 ( -1.553 21.237 7.208) 22.481 22.178 ( -0.581 -4.217 6.938) 8.140 22.178 ( -0.581 4.217 6.938) 8.140 22.513 ( 6.533 -15.274 -2.150) 16.751 22.513 ( 6.533 15.274 -2.150) 16.751 22.964 ( -3.622 -3.609 5.907) 7.812 22.964 ( -3.622 3.609 5.907) 7.812 24.114 ( 2.289 -11.171 6.131) 12.947 24.114 ( 2.289 11.171 6.131) 12.947 24.497 ( -9.614 -9.577 18.953) 23.310 24.497 ( -9.614 9.577 18.953) 23.310 25.033 ( 1.434 -3.597 1.660) 4.213 25.033 ( 1.434 3.597 1.660) 4.213 25.099 ( -0.041 -6.342 5.190) 8.195 25.099 ( -0.041 6.342 5.190) 8.195 25.203 ( 1.868 -15.942 3.908) 16.520 25.203 ( 1.868 15.942 3.908) 16.520 25.371 ( -1.318 -7.411 7.458) 10.596 25.371 ( -1.318 7.411 7.458) 10.596 26.599 ( 20.103 -7.016 -9.913) 23.486 26.599 ( 20.103 7.016 -9.913) 23.486 27.239 ( -4.991 -2.969 -7.921) 9.822 27.239 ( -4.991 2.969 -7.921) 9.822 27.491 ( 5.197 -3.216 5.090) 7.953 27.491 ( 5.197 3.216 5.090) 7.953 27.972 ( 8.232 -7.797 0.333) 11.344 27.972 ( 8.232 7.797 0.333) 11.344 28.150 ( 8.653 -13.994 6.383) 17.648 28.150 ( 8.653 13.994 6.383) 17.648 29.173 ( -8.742 -26.603 1.864) 28.064 29.173 ( -8.742 26.603 1.864) 28.064 34.867 ( 3.232 -3.920 2.662) 5.736 34.867 ( 3.232 3.920 2.662) 5.736 35.168 ( -3.617 -1.330 -0.643) 3.908 35.168 ( -3.617 1.330 -0.643) 3.908 35.316 ( 1.157 -0.941 -3.138) 3.474 35.316 ( 1.157 0.941 -3.138) 3.474 35.482 ( -4.649 -2.466 0.177) 5.265 35.482 ( -4.649 2.466 0.177) 5.265 36.088 ( 8.548 -6.714 -1.785) 11.015 36.088 ( 8.548 6.714 -1.785) 11.015 36.568 ( -5.525 -6.346 -11.557) 14.296 36.568 ( -5.525 6.346 -11.557) 14.296 37.378 ( 10.260 -26.006 1.127) 27.980 37.378 ( 10.260 26.006 1.127) 27.980 38.465 ( -17.830 -9.597 -2.821) 20.444 38.465 ( -17.830 9.597 -2.821) 20.444 39.299 ( 1.284 -0.640 -7.893) 8.022 39.299 ( 1.284 0.640 -7.893) 8.022 39.556 ( -7.231 -2.325 -12.034) 14.231 39.556 ( -7.231 2.325 -12.034) 14.231 ======================= Grid point 39 (18/54) ======================= q-point: ( 0.40 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 14.636 -16.620 4.928) 22.687 2.669 ( 14.636 16.620 4.928) 22.687 2.785 ( 9.153 -12.312 5.897) 16.436 2.785 ( 9.153 12.312 5.897) 16.436 2.946 ( -3.436 -6.059 -0.533) 6.986 2.946 ( -3.436 6.059 -0.533) 6.986 3.035 ( -8.845 -2.954 4.268) 10.255 3.035 ( -8.845 2.954 4.268) 10.255 3.204 ( 9.128 -7.264 12.101) 16.808 3.204 ( 9.128 7.264 12.101) 16.808 3.369 ( -2.746 -4.346 3.361) 6.142 3.369 ( -2.746 4.346 3.361) 6.142 3.667 ( 1.273 -6.037 8.035) 10.131 3.667 ( 1.273 6.037 8.035) 10.131 3.784 ( -9.583 -13.789 14.648) 22.283 3.784 ( -9.583 13.789 14.648) 22.283 4.099 ( 3.875 -5.485 7.520) 10.083 4.099 ( 3.875 5.485 7.520) 10.083 4.248 ( -6.021 -8.348 16.963) 19.841 4.248 ( -6.021 8.348 16.963) 19.841 4.772 ( 18.662 -7.607 10.241) 22.606 4.772 ( 18.662 7.607 10.241) 22.606 4.992 ( -3.842 -4.615 -3.169) 6.790 4.992 ( -3.842 4.615 -3.169) 6.790 5.566 ( 30.114 -15.328 6.843) 34.476 5.566 ( 30.114 15.328 6.843) 34.476 6.019 ( 12.064 -10.933 -3.541) 16.662 6.019 ( 12.064 10.933 -3.541) 16.662 6.485 ( -15.313 -10.096 7.270) 19.730 6.485 ( -15.313 10.096 7.270) 19.730 6.716 ( -30.456 -9.861 16.796) 36.151 6.716 ( -30.456 9.861 16.796) 36.151 7.631 ( 13.004 -12.730 -7.629) 19.732 7.631 ( 13.004 12.730 -7.629) 19.732 7.912 ( -14.725 -19.188 -0.687) 24.196 7.912 ( -14.725 19.188 -0.687) 24.196 8.172 ( 7.573 -17.065 -2.177) 18.796 8.172 ( 7.573 17.065 -2.177) 18.796 8.646 ( -29.964 -6.811 4.284) 31.026 8.646 ( -29.964 6.811 4.284) 31.026 9.372 ( 12.413 -10.620 -11.185) 19.798 9.372 ( 12.413 10.620 -11.185) 19.798 9.556 ( -4.045 -9.870 -2.816) 11.032 9.556 ( -4.045 9.870 -2.816) 11.032 10.113 ( 18.821 -10.970 -9.668) 23.834 10.113 ( 18.821 10.970 -9.668) 23.834 10.494 ( -15.891 -10.750 -8.030) 20.798 10.494 ( -15.891 10.750 -8.030) 20.798 10.903 ( 3.219 -5.024 3.999) 7.183 10.903 ( 3.219 5.024 3.999) 7.183 11.035 ( -7.412 -5.013 6.860) 11.275 11.035 ( -7.412 5.013 6.860) 11.275 12.015 ( 8.424 -1.426 -3.598) 9.270 12.015 ( 8.424 1.426 -3.598) 9.270 12.088 ( 0.256 -7.264 -1.464) 7.415 12.088 ( 0.256 7.264 -1.464) 7.415 12.544 ( 3.380 -17.349 -2.064) 17.796 12.544 ( 3.380 17.349 -2.064) 17.796 12.578 ( 0.356 -15.625 -0.595) 15.641 12.578 ( 0.356 15.625 -0.595) 15.641 13.021 ( 3.894 -8.856 -2.939) 10.111 13.021 ( 3.894 8.856 -2.939) 10.111 13.087 ( 1.633 -11.441 -4.049) 12.245 13.087 ( 1.633 11.441 -4.049) 12.245 13.392 ( -1.034 -7.771 4.167) 8.878 13.392 ( -1.034 7.771 4.167) 8.878 13.513 ( -7.538 -2.968 5.177) 9.614 13.513 ( -7.538 2.968 5.177) 9.614 14.091 ( 3.671 -5.235 -4.347) 7.732 14.091 ( 3.671 5.235 -4.347) 7.732 14.155 ( -2.127 -6.951 -7.553) 10.483 14.155 ( -2.127 6.951 -7.553) 10.483 14.483 ( 7.327 -2.597 -7.591) 10.865 14.483 ( 7.327 2.597 -7.591) 10.865 14.665 ( -8.891 -3.506 -11.320) 14.815 14.665 ( -8.891 3.506 -11.320) 14.815 15.756 ( 20.545 -20.282 12.216) 31.348 15.756 ( 20.545 20.282 12.216) 31.348 16.084 ( -11.603 -16.746 14.643) 25.089 16.084 ( -11.603 16.746 14.643) 25.089 16.667 ( 0.563 -3.996 -2.478) 4.736 16.667 ( 0.563 3.996 -2.478) 4.736 16.738 ( -6.876 -1.611 1.675) 7.258 16.738 ( -6.876 1.611 1.675) 7.258 18.669 ( 18.111 -0.205 5.404) 18.901 18.669 ( 18.111 0.205 5.404) 18.901 18.990 ( -12.735 -3.141 0.975) 13.152 18.990 ( -12.735 3.141 0.975) 13.152 20.416 ( 7.587 -2.673 -17.687) 19.431 20.416 ( 7.587 2.673 -17.687) 19.431 20.632 ( -13.574 -6.752 -15.853) 21.936 20.632 ( -13.574 6.752 -15.853) 21.936 21.902 ( 5.576 -21.164 5.556) 22.580 21.902 ( 5.576 21.164 5.556) 22.580 22.053 ( -8.467 -15.827 5.840) 18.876 22.053 ( -8.467 15.827 5.840) 18.876 22.697 ( 9.308 -6.861 2.139) 11.759 22.697 ( 9.308 6.861 2.139) 11.759 22.860 ( -6.641 -3.953 4.607) 8.997 22.860 ( -6.641 3.953 4.607) 8.997 24.189 ( 5.143 -8.850 7.107) 12.461 24.189 ( 5.143 8.850 7.107) 12.461 24.319 ( -7.599 -6.360 10.886) 14.720 24.319 ( -7.599 6.360 10.886) 14.720 25.068 ( 1.670 -7.096 3.201) 7.962 25.068 ( 1.670 7.096 3.201) 7.962 25.092 ( -0.681 -8.520 4.582) 9.698 25.092 ( -0.681 8.520 4.582) 9.698 25.259 ( 3.290 -12.170 4.353) 13.338 25.259 ( 3.290 12.170 4.353) 13.338 25.325 ( -2.993 -9.638 5.761) 11.620 25.325 ( -2.993 9.638 5.761) 11.620 26.944 ( 12.831 -3.589 -12.901) 18.546 26.944 ( 12.831 3.589 -12.901) 18.546 27.134 ( -6.526 -3.309 -12.215) 14.239 27.134 ( -6.526 3.309 -12.215) 14.239 27.662 ( 11.232 -2.864 6.530) 13.304 27.662 ( 11.232 2.864 6.530) 13.304 27.887 ( -9.604 -3.358 5.758) 11.691 27.887 ( -9.604 3.358 5.758) 11.691 28.540 ( 21.137 -30.684 0.979) 37.272 28.540 ( 21.137 30.684 0.979) 37.272 28.920 ( -15.937 -30.532 1.846) 34.490 28.920 ( -15.937 30.532 1.846) 34.490 34.956 ( 5.298 -2.816 1.863) 6.282 34.956 ( 5.298 2.816 1.863) 6.282 35.070 ( -5.630 -1.560 0.770) 5.893 35.070 ( -5.630 1.560 0.770) 5.893 35.349 ( 2.040 -1.344 -2.729) 3.662 35.349 ( 2.040 1.344 -2.729) 3.662 35.401 ( -3.196 -2.001 -1.793) 4.176 35.401 ( -3.196 2.001 -1.793) 4.176 36.271 ( 8.801 -1.202 -4.004) 9.743 36.271 ( 8.801 1.202 -4.004) 9.743 36.435 ( -7.382 -4.190 -7.621) 11.407 36.435 ( -7.382 4.190 -7.621) 11.407 37.654 ( 16.675 -23.039 1.424) 28.476 37.654 ( 16.675 23.039 1.424) 28.476 38.044 ( -21.307 -18.716 0.679) 28.368 38.044 ( -21.307 18.716 0.679) 28.368 39.341 ( 2.932 -1.234 -7.167) 7.841 39.341 ( 2.932 1.234 -7.167) 7.841 39.424 ( -5.371 -0.465 -7.894) 9.559 39.424 ( -5.371 0.465 -7.894) 9.559 ======================= Grid point 50 (19/54) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 0.000 47.412) 47.412 2.038 ( 0.000 0.000 45.136) 45.136 2.681 ( 0.000 0.000 -1.866) 1.866 2.766 ( 0.000 0.000 -3.315) 3.315 2.976 ( 0.000 0.000 24.876) 24.876 3.107 ( 0.000 0.000 -3.643) 3.643 3.180 ( 0.000 0.000 3.810) 3.810 3.270 ( 0.000 0.000 1.166) 1.166 3.288 ( 0.000 0.000 -2.519) 2.519 3.292 ( 0.000 0.000 6.750) 6.750 3.363 ( 0.000 0.000 6.073) 6.073 3.449 ( 0.000 0.000 1.339) 1.339 3.705 ( 0.000 0.000 -5.311) 5.311 3.770 ( 0.000 0.000 -0.695) 0.695 4.039 ( 0.000 0.000 32.559) 32.559 4.086 ( 0.000 0.000 31.263) 31.263 4.158 ( 0.000 0.000 -8.543) 8.543 4.217 ( 0.000 0.000 4.538) 4.538 4.591 ( 0.000 0.000 -8.967) 8.967 4.635 ( 0.000 0.000 22.035) 22.035 4.685 ( 0.000 0.000 -5.331) 5.331 5.046 ( 0.000 0.000 -1.798) 1.798 5.163 ( 0.000 0.000 7.505) 7.505 5.236 ( 0.000 0.000 40.147) 40.147 5.268 ( 0.000 0.000 50.579) 50.579 5.507 ( 0.000 0.000 -11.472) 11.472 5.687 ( 0.000 0.000 13.309) 13.309 6.339 ( 0.000 0.000 19.063) 19.063 6.503 ( 0.000 0.000 7.062) 7.062 6.653 ( 0.000 0.000 15.845) 15.845 6.698 ( 0.000 0.000 27.621) 27.621 7.044 ( 0.000 0.000 -6.673) 6.673 7.597 ( 0.000 0.000 -3.078) 3.078 7.720 ( 0.000 0.000 11.077) 11.077 8.002 ( 0.000 0.000 -14.841) 14.841 8.392 ( 0.000 0.000 1.518) 1.518 8.421 ( 0.000 0.000 -9.951) 9.951 8.730 ( 0.000 0.000 -0.662) 0.662 9.072 ( 0.000 0.000 1.032) 1.032 9.164 ( 0.000 0.000 -13.491) 13.491 9.283 ( 0.000 0.000 -12.535) 12.535 9.644 ( 0.000 0.000 0.388) 0.388 9.717 ( 0.000 0.000 1.444) 1.444 9.901 ( 0.000 0.000 15.066) 15.066 10.052 ( 0.000 0.000 1.451) 1.451 10.064 ( 0.000 0.000 -9.416) 9.416 10.067 ( 0.000 0.000 5.066) 5.066 10.595 ( 0.000 0.000 1.565) 1.565 10.748 ( 0.000 0.000 -18.880) 18.880 10.941 ( 0.000 0.000 -0.386) 0.386 11.067 ( 0.000 0.000 3.614) 3.614 11.263 ( 0.000 0.000 7.324) 7.324 11.652 ( 0.000 0.000 17.868) 17.868 11.746 ( 0.000 0.000 3.957) 3.957 11.781 ( 0.000 0.000 -2.322) 2.322 11.814 ( 0.000 0.000 -2.843) 2.843 12.043 ( 0.000 0.000 -13.226) 13.226 12.087 ( 0.000 0.000 -3.655) 3.655 12.102 ( 0.000 0.000 1.987) 1.987 12.681 ( 0.000 0.000 -15.557) 15.557 12.798 ( 0.000 0.000 -2.212) 2.212 13.116 ( 0.000 0.000 -2.583) 2.583 13.213 ( 0.000 0.000 -12.307) 12.307 13.363 ( 0.000 0.000 -14.228) 14.228 13.416 ( 0.000 0.000 -10.337) 10.337 13.560 ( 0.000 0.000 -3.468) 3.468 13.608 ( 0.000 0.000 0.911) 0.911 13.616 ( 0.000 0.000 -22.075) 22.075 13.840 ( 0.000 0.000 4.579) 4.579 14.119 ( 0.000 0.000 -17.285) 17.285 14.122 ( 0.000 0.000 -4.556) 4.556 14.169 ( 0.000 0.000 -7.451) 7.451 14.254 ( 0.000 0.000 -3.745) 3.745 14.491 ( 0.000 0.000 3.845) 3.845 14.611 ( 0.000 0.000 0.308) 0.308 14.626 ( 0.000 0.000 -8.415) 8.415 15.114 ( 0.000 0.000 25.253) 25.253 15.227 ( 0.000 0.000 7.337) 7.337 15.964 ( 0.000 0.000 10.111) 10.111 16.242 ( 0.000 0.000 -5.047) 5.047 16.584 ( 0.000 0.000 8.109) 8.109 16.813 ( 0.000 0.000 -9.993) 9.993 17.230 ( 0.000 0.000 10.834) 10.834 17.499 ( 0.000 0.000 12.291) 12.291 18.172 ( 0.000 0.000 2.001) 2.001 18.389 ( 0.000 0.000 16.315) 16.315 18.976 ( 0.000 0.000 -27.652) 27.652 19.069 ( 0.000 0.000 -1.934) 1.934 19.845 ( 0.000 0.000 -26.389) 26.389 20.038 ( 0.000 0.000 -11.164) 11.164 20.658 ( 0.000 0.000 -13.344) 13.344 21.329 ( 0.000 0.000 -16.199) 16.199 21.393 ( 0.000 0.000 2.829) 2.829 21.765 ( 0.000 0.000 -5.889) 5.889 21.979 ( 0.000 0.000 5.089) 5.089 22.362 ( 0.000 0.000 7.946) 7.946 22.710 ( 0.000 0.000 11.354) 11.354 23.285 ( 0.000 0.000 3.215) 3.215 23.285 ( 0.000 0.000 6.013) 6.013 23.351 ( 0.000 0.000 4.741) 4.741 23.731 ( 0.000 0.000 13.844) 13.844 24.276 ( 0.000 0.000 1.615) 1.615 24.467 ( 0.000 0.000 10.088) 10.088 24.797 ( 0.000 0.000 15.923) 15.923 25.007 ( 0.000 0.000 2.106) 2.106 25.074 ( 0.000 0.000 7.285) 7.285 25.298 ( 0.000 0.000 7.062) 7.062 25.310 ( 0.000 0.000 5.882) 5.882 25.324 ( 0.000 0.000 8.184) 8.184 25.529 ( 0.000 0.000 3.035) 3.035 25.745 ( 0.000 0.000 3.215) 3.215 26.025 ( 0.000 0.000 -11.590) 11.590 26.289 ( 0.000 0.000 -6.152) 6.152 26.570 ( 0.000 0.000 -5.357) 5.357 26.613 ( 0.000 0.000 -13.438) 13.438 27.356 ( 0.000 0.000 -14.972) 14.972 27.416 ( 0.000 0.000 13.912) 13.912 27.417 ( 0.000 0.000 6.768) 6.768 27.744 ( 0.000 0.000 14.827) 14.827 28.017 ( 0.000 0.000 9.604) 9.604 28.257 ( 0.000 0.000 10.943) 10.943 28.655 ( 0.000 0.000 2.988) 2.988 29.005 ( 0.000 0.000 -2.168) 2.168 29.824 ( 0.000 0.000 -11.234) 11.234 34.839 ( 0.000 0.000 6.279) 6.279 35.027 ( 0.000 0.000 -0.177) 0.177 35.066 ( 0.000 0.000 0.558) 0.558 35.137 ( 0.000 0.000 -1.961) 1.961 35.146 ( 0.000 0.000 -1.455) 1.455 35.203 ( 0.000 0.000 -2.476) 2.476 35.238 ( 0.000 0.000 -1.482) 1.482 35.606 ( 0.000 0.000 3.378) 3.378 35.637 ( 0.000 0.000 3.179) 3.179 35.723 ( 0.000 0.000 -1.368) 1.368 36.244 ( 0.000 0.000 -2.264) 2.264 36.556 ( 0.000 0.000 -8.628) 8.628 36.740 ( 0.000 0.000 12.098) 12.098 37.988 ( 0.000 0.000 -2.556) 2.556 38.582 ( 0.000 0.000 1.173) 1.173 38.748 ( 0.000 0.000 -9.630) 9.630 38.778 ( 0.000 0.000 -16.084) 16.084 39.050 ( 0.000 0.000 -12.393) 12.393 39.094 ( 0.000 0.000 -8.399) 8.399 39.429 ( 0.000 0.000 -11.311) 11.311 ======================= Grid point 51 (20/54) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 21.785 0.000 40.794) 46.247 2.146 ( 9.943 0.000 25.981) 27.818 2.725 ( 3.282 0.000 2.718) 4.261 2.748 ( -0.996 0.000 -5.157) 5.253 3.054 ( -3.122 0.000 -1.163) 3.332 3.132 ( 7.864 0.000 6.066) 9.931 3.168 ( -1.435 0.000 -0.363) 1.480 3.258 ( -1.421 0.000 1.149) 1.827 3.314 ( 1.211 0.000 -0.841) 1.475 3.325 ( 3.258 0.000 7.529) 8.203 3.417 ( -1.903 0.000 1.904) 2.692 3.511 ( 14.735 0.000 9.990) 17.802 3.666 ( -4.620 0.000 -3.619) 5.869 3.739 ( -2.064 0.000 0.674) 2.171 3.991 ( -7.130 0.000 12.605) 14.482 4.077 ( 4.177 0.000 21.042) 21.452 4.262 ( 9.464 0.000 7.795) 12.261 4.439 ( -8.535 0.000 -7.416) 11.306 4.545 ( 21.290 0.000 19.008) 28.541 4.787 ( 7.150 0.000 20.331) 21.551 4.817 ( 9.524 0.000 -2.872) 9.948 5.065 ( -10.210 0.000 11.221) 15.171 5.112 ( -0.755 0.000 16.717) 16.734 5.251 ( 6.435 0.000 23.718) 24.576 5.274 ( 10.461 0.000 39.472) 40.834 5.389 ( -1.530 0.000 2.439) 2.879 5.839 ( 15.589 0.000 16.477) 22.683 6.199 ( -13.360 0.000 16.337) 21.104 6.546 ( 4.226 0.000 8.063) 9.103 6.684 ( -3.106 0.000 29.683) 29.845 6.816 ( 10.679 0.000 5.167) 11.864 7.157 ( 9.135 0.000 -8.742) 12.644 7.287 ( -13.819 0.000 9.565) 16.807 7.703 ( -24.279 0.000 -2.636) 24.422 7.748 ( -12.741 0.000 12.206) 17.644 8.418 ( 7.819 0.000 -2.046) 8.083 8.501 ( 3.503 0.000 -12.771) 13.242 8.645 ( -33.281 0.000 -1.365) 33.309 8.919 ( 8.446 0.000 -5.028) 9.830 9.179 ( 6.887 0.000 -4.790) 8.389 9.254 ( -29.536 0.000 -1.476) 29.573 9.379 ( -25.621 0.000 5.207) 26.144 9.404 ( 10.047 0.000 -13.028) 16.452 9.857 ( -13.029 0.000 3.961) 13.617 9.890 ( 6.060 0.000 -6.895) 9.179 10.230 ( 2.706 0.000 -9.314) 9.699 10.371 ( 18.654 0.000 5.157) 19.354 10.593 ( -2.561 0.000 0.982) 2.743 10.608 ( -13.719 0.000 -18.020) 22.648 10.909 ( -2.682 0.000 0.089) 2.684 11.178 ( 10.083 0.000 -2.127) 10.305 11.315 ( 5.921 0.000 13.972) 15.174 11.658 ( 1.197 0.000 16.072) 16.116 11.712 ( -2.052 0.000 2.800) 3.471 11.752 ( -3.593 0.000 -4.178) 5.510 11.937 ( 9.427 0.000 -3.192) 9.953 12.065 ( 1.278 0.000 -11.024) 11.098 12.242 ( 12.314 0.000 -2.062) 12.486 12.276 ( 15.221 0.000 4.665) 15.920 12.687 ( -8.634 0.000 -4.355) 9.670 12.851 ( 13.284 0.000 -10.100) 16.687 12.983 ( -6.598 0.000 -4.263) 7.855 13.191 ( -3.700 0.000 -10.108) 10.764 13.326 ( -6.117 0.000 -7.426) 9.621 13.413 ( -8.240 0.000 -4.601) 9.438 13.419 ( -9.199 0.000 -3.399) 9.807 13.567 ( 10.070 0.000 -10.646) 14.655 13.601 ( -5.142 0.000 -24.463) 24.997 13.863 ( 0.258 0.000 -2.045) 2.062 14.004 ( -0.015 0.000 0.605) 0.605 14.061 ( -9.607 0.000 -9.900) 13.795 14.287 ( 1.077 0.000 -15.588) 15.625 14.366 ( 6.923 0.000 -2.575) 7.386 14.460 ( -2.456 0.000 3.405) 4.198 14.499 ( 0.657 0.000 3.542) 3.602 14.621 ( -0.831 0.000 -6.731) 6.783 15.271 ( 14.843 0.000 26.060) 29.991 15.580 ( 19.864 0.000 2.878) 20.072 15.956 ( -0.950 0.000 6.364) 6.435 16.355 ( 11.872 0.000 -3.608) 12.408 16.485 ( -10.719 0.000 14.958) 18.402 16.827 ( 1.373 0.000 -9.039) 9.143 17.085 ( -10.177 0.000 3.625) 10.804 17.344 ( -12.663 0.000 9.339) 15.734 18.352 ( 14.677 0.000 1.495) 14.752 18.568 ( 14.122 0.000 13.619) 19.619 18.966 ( -1.372 0.000 -25.592) 25.628 19.061 ( -1.158 0.000 0.251) 1.185 19.905 ( 6.801 0.000 -25.869) 26.748 20.029 ( -0.258 0.000 -12.675) 12.678 20.584 ( -9.615 0.000 -9.987) 13.863 21.078 ( -20.538 0.000 -13.859) 24.777 21.242 ( -5.834 0.000 -0.821) 5.892 21.745 ( -6.939 0.000 -3.387) 7.722 22.136 ( 11.651 0.000 3.071) 12.049 22.494 ( 12.594 0.000 7.508) 14.662 22.674 ( -3.711 0.000 10.315) 10.963 23.252 ( -4.660 0.000 4.839) 6.718 23.252 ( -5.049 0.000 4.978) 7.091 23.307 ( 0.050 0.000 6.111) 6.112 23.804 ( 6.911 0.000 12.806) 14.551 24.304 ( 0.939 0.000 2.049) 2.254 24.496 ( 2.728 0.000 10.570) 10.916 24.747 ( -4.086 0.000 14.978) 15.526 24.947 ( -4.648 0.000 2.957) 5.509 25.095 ( 1.843 0.000 7.735) 7.951 25.209 ( -17.757 0.000 9.094) 19.950 25.292 ( -2.920 0.000 8.154) 8.661 25.354 ( 3.506 0.000 6.526) 7.408 25.411 ( -2.288 0.000 9.674) 9.941 25.706 ( -1.413 0.000 3.964) 4.208 25.947 ( -11.729 0.000 13.735) 18.061 26.157 ( 11.159 0.000 -14.023) 17.921 26.584 ( -2.421 0.000 -14.294) 14.498 26.824 ( 10.885 0.000 -20.503) 23.213 27.237 ( -9.171 0.000 -9.871) 13.474 27.502 ( 8.973 0.000 13.298) 16.042 27.523 ( 9.167 0.000 7.882) 12.090 27.694 ( 8.419 0.000 5.785) 10.215 28.190 ( -6.374 0.000 10.920) 12.644 28.269 ( 4.446 0.000 7.504) 8.722 28.531 ( -11.811 0.000 4.361) 12.590 29.207 ( 16.312 0.000 -13.143) 20.948 29.826 ( -0.930 0.000 -11.429) 11.467 34.861 ( 2.151 0.000 5.355) 5.771 35.041 ( 1.211 0.000 0.208) 1.229 35.056 ( -1.209 0.000 -0.054) 1.210 35.130 ( -1.184 0.000 -0.370) 1.240 35.137 ( 0.070 0.000 -2.041) 2.042 35.195 ( -2.395 0.000 -1.324) 2.737 35.219 ( 1.355 0.000 -2.142) 2.534 35.452 ( -8.123 0.000 2.121) 8.396 35.806 ( 11.977 0.000 -2.887) 12.320 35.922 ( 12.488 0.000 -1.239) 12.549 36.209 ( -3.009 0.000 -2.457) 3.885 36.511 ( -4.412 0.000 -7.920) 9.066 36.899 ( 14.769 0.000 10.629) 18.196 38.046 ( 5.462 0.000 -2.711) 6.098 38.261 ( -26.345 0.000 0.053) 26.345 38.527 ( -5.284 0.000 -0.054) 5.284 39.017 ( 5.528 0.000 -14.457) 15.478 39.074 ( 2.335 0.000 -11.251) 11.490 39.157 ( 4.173 0.000 -14.057) 14.664 39.376 ( -4.877 0.000 -10.649) 11.713 ======================= Grid point 52 (21/54) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 12.081 0.000 0.705) 12.102 2.525 ( 33.223 0.000 27.891) 43.379 2.610 ( -9.808 0.000 -7.269) 12.208 2.884 ( 8.464 0.000 4.162) 9.432 3.007 ( -2.936 0.000 -0.013) 2.936 3.115 ( -18.554 0.000 9.517) 20.852 3.144 ( -0.088 0.000 0.201) 0.219 3.173 ( -1.715 0.000 1.517) 2.290 3.351 ( 1.939 0.000 -0.852) 2.118 3.369 ( 0.518 0.000 1.797) 1.870 3.401 ( 1.226 0.000 1.767) 2.151 3.499 ( -9.137 0.000 2.254) 9.411 3.722 ( 0.914 0.000 2.406) 2.574 3.800 ( -7.660 0.000 6.383) 9.971 3.857 ( 17.607 0.000 10.936) 20.726 4.149 ( -4.919 0.000 1.375) 5.108 4.295 ( -0.333 0.000 8.502) 8.508 4.383 ( -1.415 0.000 9.522) 9.626 4.743 ( 5.210 0.000 21.712) 22.329 4.859 ( -2.917 0.000 6.071) 6.736 4.874 ( -4.873 0.000 6.036) 7.757 4.939 ( -6.772 0.000 -12.829) 14.507 5.297 ( 24.270 0.000 31.263) 39.578 5.392 ( 23.372 0.000 30.507) 38.430 5.634 ( 7.267 0.000 29.448) 30.331 5.803 ( -15.258 0.000 26.145) 30.271 5.869 ( 26.950 0.000 16.758) 31.735 6.264 ( 16.601 0.000 21.961) 27.530 6.532 ( -5.500 0.000 21.119) 21.823 6.625 ( 6.258 0.000 1.749) 6.498 6.899 ( -4.900 0.000 21.800) 22.344 7.012 ( -30.696 0.000 8.734) 31.914 7.171 ( -4.081 0.000 5.497) 6.846 7.283 ( -22.130 0.000 6.307) 23.011 7.547 ( 20.192 0.000 -8.875) 22.056 8.159 ( -35.189 0.000 -6.636) 35.810 8.217 ( 3.482 0.000 7.743) 8.489 8.549 ( -12.602 0.000 -6.627) 14.238 8.899 ( -4.777 0.000 2.302) 5.303 8.990 ( -3.885 0.000 -6.252) 7.361 9.029 ( 11.586 0.000 0.207) 11.588 9.292 ( -6.071 0.000 -6.104) 8.609 9.610 ( 7.069 0.000 -15.070) 16.645 9.644 ( -1.776 0.000 -10.431) 10.581 10.133 ( 15.508 0.000 -8.696) 17.780 10.197 ( -2.431 0.000 -12.771) 13.000 10.301 ( -13.217 0.000 -15.523) 20.388 10.421 ( -11.214 0.000 -5.018) 12.285 10.687 ( 9.654 0.000 4.047) 10.468 10.833 ( -5.239 0.000 2.090) 5.641 11.372 ( 6.966 0.000 6.788) 9.726 11.433 ( 1.934 0.000 12.675) 12.822 11.662 ( -2.754 0.000 0.600) 2.818 11.666 ( -2.162 0.000 0.483) 2.215 11.766 ( 11.371 0.000 7.993) 13.899 12.009 ( -8.478 0.000 -2.964) 8.981 12.165 ( 12.182 0.000 -7.104) 14.102 12.403 ( -9.671 0.000 -5.886) 11.322 12.523 ( 14.925 0.000 0.941) 14.955 12.708 ( 15.626 0.000 3.146) 15.939 12.834 ( -14.555 0.000 1.936) 14.683 12.931 ( -2.346 0.000 -0.423) 2.383 13.145 ( -6.143 0.000 -7.889) 9.999 13.224 ( -9.932 0.000 0.730) 9.959 13.260 ( 10.635 0.000 -9.264) 14.104 13.426 ( -0.840 0.000 -19.227) 19.246 13.499 ( 5.110 0.000 -25.037) 25.553 13.767 ( 7.917 0.000 -9.554) 12.408 13.796 ( -15.823 0.000 -13.679) 20.916 13.856 ( -1.246 0.000 -8.479) 8.570 14.059 ( 4.274 0.000 3.768) 5.697 14.175 ( -6.974 0.000 -2.816) 7.521 14.467 ( 3.134 0.000 -0.820) 3.239 14.504 ( -0.585 0.000 1.475) 1.586 14.535 ( 4.254 0.000 -7.493) 8.617 14.594 ( -1.928 0.000 -7.251) 7.503 15.669 ( 22.957 0.000 26.011) 34.693 15.833 ( 6.738 0.000 6.516) 9.373 15.920 ( -2.682 0.000 5.212) 5.862 16.140 ( -21.948 0.000 23.951) 32.486 16.688 ( 18.564 0.000 -1.281) 18.608 16.866 ( 2.419 0.000 -7.554) 7.932 16.933 ( -4.720 0.000 -5.281) 7.083 17.046 ( -16.364 0.000 4.293) 16.917 18.667 ( 14.609 0.000 -5.164) 15.495 18.837 ( 10.973 0.000 6.740) 12.877 18.891 ( -6.948 0.000 -17.366) 18.704 19.000 ( -5.281 0.000 2.966) 6.057 20.071 ( 5.681 0.000 -12.572) 13.796 20.159 ( 18.372 0.000 -20.483) 27.515 20.291 ( -15.419 0.000 -8.564) 17.638 20.608 ( -24.271 0.000 -14.796) 28.425 21.287 ( 8.596 0.000 -2.603) 8.982 21.519 ( -12.951 0.000 -1.896) 13.089 22.368 ( 10.678 0.000 4.011) 11.407 22.557 ( -7.754 0.000 7.179) 10.567 22.781 ( 13.980 0.000 7.049) 15.656 23.039 ( -11.642 0.000 7.349) 13.767 23.256 ( 1.238 0.000 4.629) 4.791 23.288 ( -1.590 0.000 6.098) 6.302 23.993 ( 11.277 0.000 11.249) 15.929 24.224 ( -9.537 0.000 7.388) 12.064 24.568 ( 4.149 0.000 11.947) 12.647 24.657 ( -4.537 0.000 13.608) 14.345 24.862 ( -2.910 0.000 5.382) 6.118 24.885 ( -7.461 0.000 11.534) 13.737 25.145 ( 3.153 0.000 7.854) 8.463 25.219 ( -3.928 0.000 7.944) 8.862 25.419 ( 2.600 0.000 8.945) 9.316 25.438 ( 1.027 0.000 8.901) 8.960 25.719 ( 2.512 0.000 4.827) 5.441 25.800 ( -5.209 0.000 8.251) 9.758 26.384 ( 9.518 0.000 -17.246) 19.699 26.520 ( -4.310 0.000 -16.544) 17.097 26.987 ( 6.039 0.000 -18.468) 19.431 27.095 ( -5.302 0.000 -13.065) 14.100 27.737 ( 11.437 0.000 11.958) 16.547 27.769 ( 14.408 0.000 8.588) 16.773 27.945 ( 13.685 0.000 2.423) 13.897 28.026 ( -7.655 0.000 11.155) 13.529 28.190 ( -9.487 0.000 5.058) 10.751 28.210 ( -18.403 0.000 7.954) 20.048 29.515 ( 13.273 0.000 -14.997) 20.026 29.737 ( -8.140 0.000 -12.462) 14.885 34.923 ( 3.790 0.000 2.908) 4.777 35.003 ( -3.709 0.000 0.195) 3.714 35.074 ( 1.773 0.000 1.135) 2.105 35.106 ( -1.293 0.000 1.405) 1.909 35.143 ( 0.592 0.000 -2.246) 2.322 35.161 ( -1.183 0.000 -2.083) 2.395 35.255 ( 2.360 0.000 -1.167) 2.633 35.323 ( -4.629 0.000 0.677) 4.678 36.010 ( 7.745 0.000 -4.980) 9.208 36.132 ( -4.649 0.000 -3.567) 5.860 36.172 ( 11.650 0.000 -3.455) 12.151 36.379 ( -8.516 0.000 -6.001) 10.418 37.281 ( 21.596 0.000 7.987) 23.025 37.746 ( -24.160 0.000 6.056) 24.908 38.196 ( 8.855 0.000 -2.767) 9.278 38.380 ( -8.725 0.000 -1.933) 8.937 39.104 ( 4.030 0.000 -12.949) 13.562 39.144 ( 4.609 0.000 -9.692) 10.732 39.175 ( -2.196 0.000 -14.804) 14.966 39.256 ( -6.215 0.000 -9.580) 11.419 ======================= Grid point 55 (22/54) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.000 33.053 30.700) 45.111 2.253 ( 0.000 18.700 37.691) 42.075 2.740 ( 0.000 4.003 0.775) 4.077 2.855 ( 0.000 8.512 -0.448) 8.523 3.029 ( 0.000 -8.655 -0.528) 8.671 3.061 ( 0.000 9.353 12.484) 15.599 3.184 ( 0.000 0.292 5.937) 5.945 3.211 ( 0.000 -1.009 3.026) 3.190 3.267 ( 0.000 -2.381 -1.573) 2.854 3.326 ( 0.000 -3.454 5.346) 6.365 3.381 ( 0.000 -2.166 8.241) 8.521 3.388 ( 0.000 3.060 4.261) 5.246 3.625 ( 0.000 -5.910 -3.199) 6.720 3.730 ( 0.000 -21.310 27.049) 34.435 3.820 ( 0.000 6.003 -0.088) 6.004 4.056 ( 0.000 0.655 7.002) 7.032 4.177 ( 0.000 6.241 41.474) 41.941 4.542 ( 0.000 -5.029 -8.738) 10.082 4.567 ( 0.000 -0.319 -0.958) 1.009 4.638 ( 0.000 5.028 17.106) 17.830 4.747 ( 0.000 6.037 -2.697) 6.612 4.899 ( 0.000 -10.091 3.047) 10.541 5.013 ( 0.000 -5.018 1.642) 5.280 5.166 ( 0.000 4.072 28.537) 28.826 5.378 ( 0.000 6.649 16.993) 18.247 5.543 ( 0.000 -2.538 36.005) 36.094 5.636 ( 0.000 -5.926 10.728) 12.256 6.052 ( 0.000 -18.518 18.023) 25.841 6.525 ( 0.000 4.917 16.514) 17.231 6.837 ( 0.000 10.378 13.801) 17.268 6.981 ( 0.000 -5.341 -8.307) 9.876 7.080 ( 0.000 22.382 14.651) 26.750 7.515 ( 0.000 -8.252 -10.345) 13.233 7.785 ( 0.000 7.503 12.018) 14.168 8.048 ( 0.000 10.205 -2.570) 10.524 8.393 ( 0.000 -8.915 -8.996) 12.666 8.402 ( 0.000 3.915 -0.316) 3.927 8.569 ( 0.000 -6.421 -7.681) 10.012 8.921 ( 0.000 -12.066 -2.837) 12.395 9.101 ( 0.000 -4.481 -9.501) 10.505 9.202 ( 0.000 -9.341 -10.230) 13.853 9.463 ( 0.000 -21.704 -1.546) 21.759 9.786 ( 0.000 3.681 5.394) 6.530 9.797 ( 0.000 -1.759 8.675) 8.852 9.946 ( 0.000 -7.750 0.779) 7.789 9.958 ( 0.000 -5.004 2.645) 5.660 10.285 ( 0.000 15.241 0.622) 15.253 10.776 ( 0.000 -2.587 -12.155) 12.427 10.819 ( 0.000 19.838 1.471) 19.892 11.005 ( 0.000 10.059 -2.822) 10.447 11.230 ( 0.000 -2.320 5.109) 5.611 11.297 ( 0.000 3.205 3.353) 4.638 11.372 ( 0.000 1.588 4.202) 4.492 11.631 ( 0.000 -11.459 -3.852) 12.089 11.809 ( 0.000 2.934 1.181) 3.163 12.059 ( 0.000 2.053 -12.874) 13.036 12.081 ( 0.000 2.997 -5.243) 6.039 12.174 ( 0.000 3.232 -1.940) 3.769 12.286 ( 0.000 26.445 5.732) 27.059 12.550 ( 0.000 -10.257 -6.433) 12.107 12.782 ( 0.000 -19.979 -4.296) 20.436 12.936 ( 0.000 8.626 -9.360) 12.728 13.153 ( 0.000 -12.912 -4.620) 13.713 13.281 ( 0.000 -8.989 -12.546) 15.434 13.385 ( 0.000 4.941 -12.169) 13.133 13.424 ( 0.000 -8.162 1.113) 8.237 13.684 ( 0.000 4.073 -7.393) 8.441 13.716 ( 0.000 3.288 -8.849) 9.440 13.905 ( 0.000 -9.363 -5.517) 10.868 13.934 ( 0.000 7.351 -2.888) 7.898 13.975 ( 0.000 -6.739 0.830) 6.790 14.163 ( 0.000 -2.344 -8.590) 8.904 14.470 ( 0.000 10.215 -17.615) 20.362 14.600 ( 0.000 1.309 -0.062) 1.310 14.616 ( 0.000 1.256 2.677) 2.957 14.631 ( 0.000 2.036 -9.398) 9.616 15.109 ( 0.000 0.002 25.182) 25.182 15.310 ( 0.000 1.893 10.106) 10.281 16.086 ( 0.000 12.487 9.110) 15.457 16.259 ( 0.000 5.836 -8.808) 10.566 16.619 ( 0.000 0.395 -0.691) 0.796 16.730 ( 0.000 -9.205 -6.583) 11.317 17.219 ( 0.000 0.000 12.314) 12.314 17.400 ( 0.000 -7.565 12.736) 14.814 18.239 ( 0.000 5.985 7.250) 9.401 18.408 ( 0.000 0.773 16.983) 17.000 18.979 ( 0.000 0.530 -25.955) 25.961 19.061 ( 0.000 -1.568 -8.383) 8.529 19.853 ( 0.000 1.318 -22.804) 22.842 19.994 ( 0.000 -3.918 -12.798) 13.384 20.662 ( 0.000 2.110 -11.584) 11.775 21.116 ( 0.000 -15.497 -13.353) 20.457 21.605 ( 0.000 19.869 3.036) 20.100 21.981 ( 0.000 15.207 -6.620) 16.585 22.024 ( 0.000 4.296 5.141) 6.700 22.316 ( 0.000 -3.318 7.494) 8.196 22.614 ( 0.000 -14.028 10.553) 17.554 22.909 ( 0.000 -24.525 4.836) 24.997 23.100 ( 0.000 -7.666 2.784) 8.156 23.276 ( 0.000 -6.769 5.430) 8.678 24.012 ( 0.000 16.291 13.190) 20.961 24.360 ( 0.000 -0.382 6.376) 6.388 24.628 ( 0.000 18.090 9.654) 20.505 24.894 ( 0.000 9.260 12.652) 15.678 25.016 ( 0.000 1.223 2.450) 2.738 25.120 ( 0.000 3.822 6.970) 7.949 25.236 ( 0.000 -3.141 6.390) 7.120 25.285 ( 0.000 -2.364 6.421) 6.843 25.417 ( 0.000 6.803 9.648) 11.805 25.430 ( 0.000 -11.307 5.286) 12.482 25.564 ( 0.000 -14.738 2.745) 14.992 26.002 ( 0.000 -25.765 9.652) 27.514 26.091 ( 0.000 3.029 -6.823) 7.465 26.258 ( 0.000 -2.934 -6.812) 7.417 26.950 ( 0.000 12.246 -16.914) 20.882 27.291 ( 0.000 -5.400 -13.458) 14.501 27.449 ( 0.000 2.309 5.540) 6.002 27.503 ( 0.000 5.189 12.261) 13.314 27.715 ( 0.000 -0.175 12.093) 12.095 27.968 ( 0.000 -4.826 9.237) 10.422 28.279 ( 0.000 2.182 11.182) 11.393 28.522 ( 0.000 -10.994 8.317) 13.786 28.994 ( 0.000 6.299 2.074) 6.631 29.641 ( 0.000 -16.358 -8.205) 18.300 34.862 ( 0.000 1.991 6.169) 6.482 34.980 ( 0.000 -3.241 2.800) 4.283 35.152 ( 0.000 0.654 -1.753) 1.871 35.182 ( 0.000 -0.049 -3.336) 3.336 35.191 ( 0.000 3.152 -4.155) 5.216 35.222 ( 0.000 0.746 -2.878) 2.973 35.501 ( 0.000 12.525 -3.915) 13.122 35.621 ( 0.000 -1.320 2.894) 3.180 35.745 ( 0.000 21.673 -9.782) 23.778 35.785 ( 0.000 5.670 -1.713) 5.923 36.189 ( 0.000 -3.383 -1.546) 3.720 36.519 ( 0.000 -4.148 -9.901) 10.735 36.902 ( 0.000 15.397 9.030) 17.850 37.770 ( 0.000 -19.086 -1.304) 19.130 38.497 ( 0.000 -2.096 -2.632) 3.364 38.682 ( 0.000 -5.959 -9.234) 10.990 38.938 ( 0.000 8.499 -16.195) 18.289 39.060 ( 0.000 0.576 -13.027) 13.039 39.207 ( 0.000 8.898 -9.518) 13.030 39.420 ( 0.000 -1.150 -11.787) 11.842 ======================= Grid point 56 (23/54) ======================= q-point: ( 0.20 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 8.964 22.963 28.914) 37.996 2.357 ( 12.134 21.025 21.709) 32.566 2.784 ( 3.959 3.106 3.996) 6.426 2.828 ( -3.511 7.633 -3.730) 9.193 3.009 ( -0.700 -5.090 1.333) 5.308 3.120 ( 0.127 -1.928 -0.941) 2.149 3.150 ( 0.560 0.881 6.333) 6.419 3.218 ( 1.296 -2.821 3.708) 4.836 3.290 ( 0.478 -2.655 2.037) 3.381 3.337 ( 0.249 -1.820 1.980) 2.701 3.385 ( -0.279 0.878 4.228) 4.327 3.528 ( 8.032 -0.905 7.762) 11.207 3.599 ( 4.172 -3.315 3.842) 6.570 3.766 ( -3.173 4.236 2.479) 5.845 3.855 ( 4.745 -7.226 11.985) 14.777 4.199 ( 11.063 -3.292 11.958) 16.619 4.274 ( 1.420 7.955 16.461) 18.338 4.414 ( 1.768 0.678 18.387) 18.484 4.654 ( -4.028 -16.907 7.141) 18.790 4.760 ( 4.027 12.489 -4.579) 13.899 4.802 ( 1.825 -7.819 -7.732) 11.147 4.831 ( 1.816 -3.759 18.808) 19.265 5.046 ( 9.491 1.106 13.870) 16.842 5.237 ( 8.424 -1.494 38.838) 39.769 5.272 ( -4.944 8.841 15.374) 18.411 5.660 ( 13.005 6.082 28.896) 32.267 5.736 ( 13.631 -8.698 16.628) 23.194 6.033 ( -5.779 -13.074 14.288) 20.211 6.560 ( 4.659 4.375 14.128) 15.506 6.798 ( -1.215 2.185 5.908) 6.415 7.023 ( -10.009 19.349 3.099) 22.003 7.192 ( 14.622 4.167 -2.836) 15.466 7.368 ( -3.529 3.453 15.049) 15.838 7.668 ( -21.696 0.586 1.499) 21.756 7.888 ( -7.646 9.259 7.180) 13.991 8.234 ( -6.842 -6.733 -0.333) 9.605 8.427 ( -12.338 -14.601 -8.363) 20.865 8.624 ( -1.202 1.554 -6.468) 6.760 8.836 ( -7.670 -2.291 -3.289) 8.654 9.072 ( 9.567 -9.318 -8.117) 15.628 9.197 ( -17.985 -7.256 1.178) 19.429 9.264 ( -10.071 -7.879 -7.536) 14.843 9.543 ( -7.979 6.270 -0.655) 10.169 9.738 ( -4.755 -7.802 -7.290) 11.688 9.825 ( -7.354 -5.412 2.898) 9.579 10.038 ( 4.989 -18.300 0.083) 18.968 10.338 ( -0.275 8.664 -3.581) 9.379 10.596 ( -5.649 2.941 -5.196) 8.219 10.849 ( -2.983 5.878 -0.742) 6.633 11.044 ( -1.599 16.859 -3.401) 17.273 11.196 ( -4.588 -9.260 7.285) 12.644 11.340 ( 1.476 -0.165 3.151) 3.483 11.476 ( 11.312 7.117 -1.207) 13.419 11.663 ( 4.939 -7.074 -3.166) 9.190 11.875 ( 8.425 4.160 -2.903) 9.834 12.087 ( 3.579 5.061 -7.201) 9.501 12.179 ( 0.186 17.277 6.046) 18.305 12.251 ( 8.685 -1.847 -5.381) 10.383 12.443 ( 12.781 6.299 -0.774) 14.270 12.600 ( 3.502 0.006 -2.140) 4.105 12.792 ( 1.820 -12.826 -3.257) 13.357 12.945 ( 2.856 6.582 -10.283) 12.539 13.108 ( -2.946 -12.756 -5.708) 14.282 13.278 ( -6.489 -8.060 -0.926) 10.389 13.392 ( 0.842 3.826 -16.197) 16.664 13.406 ( -8.247 -0.511 -5.665) 10.018 13.491 ( 2.834 2.288 -4.154) 5.525 13.771 ( -2.883 4.770 -12.829) 13.988 13.846 ( -4.231 -1.389 -3.535) 5.685 13.962 ( -2.391 -3.347 3.535) 5.423 14.035 ( 8.748 -9.058 -5.773) 13.853 14.131 ( -1.855 0.214 -9.482) 9.664 14.384 ( -9.573 1.757 -8.266) 12.769 14.443 ( -5.546 1.234 -6.048) 8.299 14.563 ( -2.725 -1.072 3.104) 4.267 14.666 ( 0.383 0.876 -8.550) 8.604 15.311 ( 17.765 5.501 22.684) 29.333 15.690 ( 24.951 2.493 6.205) 25.831 16.074 ( -1.477 12.599 5.586) 13.861 16.311 ( 5.748 1.733 -4.504) 7.505 16.586 ( -4.333 5.451 5.256) 8.724 16.731 ( 0.032 -10.205 -5.665) 11.672 17.050 ( -12.762 -1.934 6.698) 14.542 17.254 ( -12.175 -7.348 9.940) 17.350 18.405 ( 13.799 5.054 5.647) 15.743 18.578 ( 13.578 0.028 14.659) 19.982 18.969 ( -1.318 0.621 -23.170) 23.216 19.054 ( -1.024 -1.470 -5.378) 5.668 19.895 ( 4.956 -0.138 -23.328) 23.849 19.995 ( 0.615 -3.121 -14.181) 14.534 20.568 ( -10.276 0.176 -9.582) 14.052 20.903 ( -17.854 -12.743 -12.474) 25.234 21.480 ( -5.242 20.080 0.163) 20.754 21.926 ( -7.186 14.716 -1.316) 16.429 22.169 ( 8.413 2.565 0.891) 8.840 22.433 ( 10.331 -5.648 7.633) 14.032 22.602 ( 0.319 -9.334 10.583) 14.115 22.932 ( 1.409 -24.037 2.383) 24.196 23.080 ( -1.853 -7.834 4.608) 9.275 23.215 ( -5.381 -5.968 5.852) 9.941 24.051 ( 4.078 15.131 13.123) 20.440 24.379 ( 1.604 0.095 6.469) 6.665 24.604 ( -2.964 11.415 12.268) 17.017 24.844 ( -4.030 9.961 9.629) 14.429 25.000 ( -1.622 4.872 3.628) 6.287 25.115 ( -16.125 -7.528 11.305) 21.083 25.144 ( -1.052 2.712 8.417) 8.906 25.264 ( 1.890 -3.352 6.772) 7.789 25.332 ( 1.652 -2.852 8.036) 8.685 25.419 ( -1.837 3.926 10.063) 10.957 25.566 ( 0.741 -12.017 2.941) 12.394 25.810 ( -7.438 -11.284 13.674) 19.226 26.229 ( 12.003 5.933 -13.117) 18.744 26.514 ( 11.486 -6.238 -13.070) 18.484 26.892 ( -3.041 5.864 -17.979) 19.154 27.155 ( -8.630 -5.882 -10.006) 14.463 27.540 ( 9.225 2.240 6.357) 11.425 27.639 ( 2.642 1.413 11.046) 11.445 27.727 ( 16.005 11.401 5.568) 20.425 28.178 ( -1.228 -2.251 9.566) 9.903 28.244 ( -1.670 -0.203 9.001) 9.157 28.587 ( 5.732 -3.578 3.551) 7.634 28.959 ( 1.130 -8.231 -0.485) 8.322 29.611 ( -3.604 -18.762 -7.584) 20.555 34.887 ( 2.418 2.145 5.359) 6.258 34.999 ( 1.830 -2.836 2.779) 4.372 35.125 ( -2.486 0.982 -1.467) 3.049 35.167 ( -1.602 -0.459 -2.068) 2.656 35.201 ( 0.709 3.054 -4.020) 5.098 35.235 ( 1.120 1.148 -2.786) 3.214 35.349 ( -7.684 13.564 -2.707) 15.823 35.484 ( -8.173 2.245 0.952) 8.529 35.918 ( 11.141 10.258 -7.271) 16.799 35.966 ( 10.705 6.029 -3.985) 12.916 36.185 ( -0.535 -1.594 -2.207) 2.775 36.478 ( -3.968 -3.709 -8.992) 10.505 37.035 ( 12.640 13.483 7.918) 20.106 37.841 ( 6.823 -17.920 -1.748) 19.254 38.273 ( -20.742 2.478 -2.034) 20.988 38.506 ( -9.784 -3.449 -3.760) 11.034 39.049 ( 5.175 2.433 -14.303) 15.404 39.084 ( 2.308 0.849 -11.695) 11.951 39.224 ( 0.646 5.359 -12.024) 13.180 39.367 ( -4.774 -1.030 -10.721) 11.781 ======================= Grid point 57 (24/54) ======================= q-point: ( 0.40 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 10.203 10.519 3.157) 14.991 2.658 ( -0.033 8.636 0.621) 8.658 2.762 ( 13.098 14.046 14.878) 24.295 2.894 ( 6.211 -1.439 2.515) 6.853 2.986 ( -3.034 -2.158 1.528) 4.025 3.083 ( -3.666 -2.183 4.612) 6.283 3.148 ( -2.208 -1.206 4.165) 4.865 3.187 ( -6.837 0.803 5.288) 8.681 3.315 ( 2.849 -1.097 4.589) 5.512 3.346 ( 0.132 0.365 0.001) 0.388 3.396 ( 1.911 -2.008 1.128) 2.993 3.472 ( -5.472 -2.707 -0.619) 6.136 3.696 ( 1.328 1.561 5.348) 5.727 3.786 ( -5.313 1.823 7.780) 9.596 3.944 ( 13.742 4.043 11.380) 18.295 4.190 ( -6.428 0.697 3.459) 7.333 4.359 ( 4.481 -4.904 5.278) 8.485 4.464 ( -4.219 7.287 7.306) 11.148 4.571 ( -2.557 -18.998 8.190) 20.845 4.585 ( -4.899 -8.773 19.262) 21.725 4.886 ( 3.467 5.683 -1.578) 6.841 4.979 ( -4.151 3.712 1.066) 5.669 5.214 ( 17.096 -6.208 26.563) 32.193 5.436 ( 13.931 2.671 45.545) 47.703 5.538 ( 8.876 -4.194 18.221) 20.697 5.893 ( -5.879 8.754 21.619) 24.054 6.106 ( 26.696 7.197 10.213) 29.475 6.212 ( 31.008 -3.280 30.655) 43.726 6.525 ( -1.454 -1.862 3.411) 4.149 6.727 ( -5.784 2.039 6.453) 8.903 6.899 ( -17.578 4.462 22.468) 28.874 7.055 ( -16.869 10.388 19.378) 27.712 7.323 ( -7.206 9.076 5.012) 12.626 7.463 ( -23.170 16.292 4.446) 28.672 7.566 ( 15.568 1.895 -7.053) 17.195 8.080 ( -29.620 -6.850 -6.886) 31.172 8.148 ( 10.271 -5.807 5.448) 12.996 8.531 ( 0.030 -6.696 -2.386) 7.109 8.680 ( -13.989 -11.301 1.803) 18.073 8.871 ( -12.455 -7.743 -0.018) 14.666 9.075 ( 7.419 0.645 -6.249) 9.722 9.255 ( -0.063 -3.593 -13.710) 14.173 9.528 ( -1.560 -13.093 -6.980) 14.919 9.659 ( -2.228 -1.287 -15.292) 15.506 9.786 ( 8.119 -10.065 -7.688) 15.045 10.095 ( -17.109 4.024 -10.516) 20.481 10.281 ( 18.322 -14.071 -3.971) 23.441 10.601 ( -5.353 -7.224 0.295) 8.995 10.804 ( -0.913 9.996 -0.692) 10.062 10.854 ( -9.771 15.172 -4.081) 18.502 11.169 ( 3.433 -8.643 8.361) 12.506 11.283 ( -5.784 -6.385 6.585) 10.844 11.758 ( 13.492 7.669 -4.681) 16.210 11.858 ( 9.376 -0.416 -4.247) 10.302 11.974 ( -0.145 9.820 -2.092) 10.041 12.106 ( -4.982 7.994 1.847) 9.599 12.220 ( 4.829 6.576 -3.590) 8.913 12.306 ( -1.614 2.172 -1.857) 3.282 12.654 ( 7.806 6.135 -2.695) 10.288 12.722 ( 4.992 6.426 2.569) 8.533 12.864 ( 3.814 -3.597 -0.716) 5.291 12.943 ( -5.064 -1.522 -3.253) 6.209 13.061 ( -0.245 -5.409 -3.184) 6.282 13.128 ( -6.095 -5.338 -3.787) 8.943 13.301 ( 2.825 3.192 -5.916) 7.292 13.463 ( -7.196 -0.221 -9.646) 12.036 13.518 ( 9.395 4.206 -14.025) 17.397 13.724 ( -3.737 -2.911 -7.417) 8.801 13.813 ( 1.086 -2.118 -6.241) 6.679 13.873 ( -4.576 5.175 -11.147) 13.114 14.130 ( 2.082 3.220 1.052) 3.976 14.186 ( 2.928 -9.246 -3.737) 10.394 14.227 ( -1.825 -1.336 -3.680) 4.320 14.339 ( -6.000 -6.371 -11.140) 14.167 14.551 ( 1.993 -5.846 -2.096) 6.522 14.622 ( -3.937 -4.009 -6.002) 8.222 15.714 ( 19.208 9.263 17.813) 27.786 15.986 ( -6.355 10.625 10.146) 16.007 16.096 ( 13.244 15.827 7.896) 22.097 16.382 ( -14.199 16.150 15.726) 26.641 16.524 ( 13.247 -10.861 -0.503) 17.137 16.713 ( -3.123 -13.964 -3.386) 14.705 16.875 ( -2.346 -6.440 -4.945) 8.452 16.984 ( -12.484 -6.411 3.075) 14.367 18.699 ( 13.446 3.417 -1.728) 13.980 18.841 ( 10.766 -0.408 7.124) 12.916 18.901 ( -6.136 1.469 -13.873) 15.240 18.999 ( -4.947 -0.895 0.296) 5.036 20.051 ( 6.838 -1.536 -14.169) 15.808 20.100 ( 14.597 -4.203 -19.906) 25.039 20.283 ( -14.584 -0.331 -9.623) 17.476 20.492 ( -21.240 -9.257 -14.566) 27.368 21.506 ( 7.058 19.599 -0.979) 20.854 21.711 ( -11.930 17.387 -0.575) 21.094 22.336 ( 7.923 -6.119 3.500) 10.605 22.475 ( -5.004 -9.967 7.378) 13.372 22.757 ( 11.604 -1.466 6.878) 13.569 22.934 ( -3.757 -10.710 3.729) 11.946 23.039 ( -0.173 -12.952 5.876) 14.223 23.100 ( -4.941 -9.965 4.658) 12.059 24.182 ( 8.737 12.558 12.727) 19.900 24.364 ( -6.265 8.512 9.168) 13.992 24.547 ( 0.987 -2.415 14.291) 14.527 24.668 ( -10.202 -1.393 13.410) 16.907 24.934 ( 0.020 8.261 7.633) 11.247 24.964 ( -2.014 9.356 5.726) 11.153 25.192 ( 3.297 3.966 7.736) 9.298 25.260 ( -2.633 2.596 7.588) 8.441 25.379 ( 2.017 -3.694 8.747) 9.707 25.398 ( -0.187 -2.379 8.897) 9.211 25.603 ( 3.084 -10.491 4.565) 11.850 25.690 ( -5.218 -9.575 8.787) 14.004 26.475 ( 10.396 7.802 -16.997) 21.398 26.609 ( -2.055 7.036 -15.542) 17.184 26.902 ( 4.014 -7.038 -18.179) 19.902 27.009 ( -6.044 -7.158 -13.446) 16.388 27.769 ( 11.376 1.648 6.919) 13.416 27.799 ( 12.039 1.219 10.331) 15.911 27.991 ( -3.487 2.366 6.866) 8.056 28.067 ( -6.394 -0.786 8.151) 10.389 28.154 ( 6.928 11.401 6.679) 14.919 28.464 ( -14.780 17.934 4.788) 23.727 29.190 ( 15.860 -27.286 -6.901) 32.306 29.468 ( -10.686 -23.251 -7.223) 26.589 34.957 ( 4.271 2.439 3.198) 5.867 35.046 ( -0.282 0.106 1.795) 1.820 35.055 ( -1.369 0.201 1.218) 1.844 35.114 ( -3.252 -0.874 1.065) 3.532 35.217 ( 0.968 4.810 -4.240) 6.485 35.243 ( -1.392 6.944 -3.761) 8.019 35.283 ( 1.609 2.959 -2.047) 3.942 35.350 ( -4.848 1.972 -0.343) 5.245 36.087 ( 5.367 7.296 -7.129) 11.526 36.158 ( -1.246 2.241 -3.882) 4.653 36.181 ( 9.328 0.858 -3.959) 10.170 36.361 ( -7.468 -2.070 -6.600) 10.179 37.376 ( 19.974 9.872 5.771) 23.016 37.813 ( -22.682 7.072 3.442) 24.007 38.034 ( 11.408 -14.622 -2.743) 18.748 38.282 ( -12.282 -9.431 -3.367) 15.847 39.129 ( 3.489 1.941 -11.485) 12.159 39.152 ( 3.890 0.775 -10.800) 11.505 39.203 ( -2.355 2.130 -12.111) 12.520 39.257 ( -5.432 -0.199 -9.498) 10.944 ======================= Grid point 60 (25/54) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.000 -3.981 16.459) 16.933 2.603 ( 0.000 3.981 16.459) 16.933 2.779 ( 0.000 -9.110 13.933) 16.647 2.779 ( 0.000 9.110 13.933) 16.647 3.053 ( 0.000 -8.606 0.028) 8.606 3.053 ( 0.000 8.606 0.028) 8.606 3.201 ( 0.000 -2.714 0.822) 2.836 3.201 ( 0.000 2.714 0.822) 2.836 3.326 ( 0.000 -0.649 5.388) 5.427 3.326 ( 0.000 0.649 5.388) 5.427 3.386 ( 0.000 -6.711 20.104) 21.194 3.386 ( 0.000 6.711 20.104) 21.194 3.482 ( 0.000 -8.477 1.422) 8.596 3.482 ( 0.000 8.477 1.422) 8.596 4.047 ( 0.000 -9.559 9.843) 13.721 4.047 ( 0.000 9.559 9.843) 13.721 4.366 ( 0.000 -12.525 -0.269) 12.527 4.366 ( 0.000 12.525 -0.269) 12.527 4.484 ( 0.000 -6.920 19.032) 20.251 4.484 ( 0.000 6.920 19.032) 20.251 4.733 ( 0.000 -5.912 13.588) 14.819 4.733 ( 0.000 5.912 13.588) 14.819 5.293 ( 0.000 -3.000 10.463) 10.884 5.293 ( 0.000 3.000 10.463) 10.884 5.481 ( 0.000 -3.968 27.225) 27.512 5.481 ( 0.000 3.968 27.225) 27.512 5.621 ( 0.000 -19.978 6.759) 21.091 5.621 ( 0.000 19.978 6.759) 21.091 6.744 ( 0.000 -15.404 4.578) 16.070 6.744 ( 0.000 15.404 4.578) 16.070 7.039 ( 0.000 -9.884 13.308) 16.577 7.039 ( 0.000 9.884 13.308) 16.577 7.922 ( 0.000 -31.273 -11.785) 33.420 7.922 ( 0.000 31.273 -11.785) 33.420 8.012 ( 0.000 -11.463 10.097) 15.275 8.012 ( 0.000 11.463 10.097) 15.275 8.630 ( 0.000 -4.913 -6.151) 7.872 8.630 ( 0.000 4.913 -6.151) 7.872 8.880 ( 0.000 -27.500 -5.706) 28.085 8.880 ( 0.000 27.500 -5.706) 28.085 9.055 ( 0.000 -1.916 -7.730) 7.964 9.055 ( 0.000 1.916 -7.730) 7.964 9.816 ( 0.000 -1.015 5.882) 5.969 9.816 ( 0.000 1.015 5.882) 5.969 9.879 ( 0.000 -1.085 7.072) 7.154 9.879 ( 0.000 1.085 7.072) 7.154 10.596 ( 0.000 -13.569 -4.802) 14.394 10.596 ( 0.000 13.569 -4.802) 14.394 11.191 ( 0.000 -1.760 1.626) 2.396 11.191 ( 0.000 1.760 1.626) 2.396 11.205 ( 0.000 -8.960 2.616) 9.334 11.205 ( 0.000 8.960 2.616) 9.334 11.422 ( 0.000 -3.925 -5.586) 6.827 11.422 ( 0.000 3.925 -5.586) 6.827 12.051 ( 0.000 -10.912 -5.923) 12.416 12.051 ( 0.000 10.912 -5.923) 12.416 12.127 ( 0.000 -5.069 -12.518) 13.505 12.127 ( 0.000 5.069 -12.518) 13.505 12.433 ( 0.000 -7.251 3.338) 7.983 12.433 ( 0.000 7.251 3.338) 7.983 12.811 ( 0.000 -20.265 0.543) 20.272 12.811 ( 0.000 20.265 0.543) 20.272 13.117 ( 0.000 -6.940 -11.076) 13.071 13.117 ( 0.000 6.940 -11.076) 13.071 13.378 ( 0.000 -3.188 -5.600) 6.444 13.378 ( 0.000 3.188 -5.600) 6.444 13.731 ( 0.000 -0.521 -6.265) 6.286 13.731 ( 0.000 0.521 -6.265) 6.286 13.860 ( 0.000 -4.421 1.289) 4.605 13.860 ( 0.000 4.421 1.289) 4.605 14.081 ( 0.000 -5.826 -7.848) 9.775 14.081 ( 0.000 5.826 -7.848) 9.775 14.572 ( 0.000 -2.145 -16.178) 16.320 14.572 ( 0.000 2.145 -16.178) 16.320 14.662 ( 0.000 -0.525 -0.015) 0.525 14.662 ( 0.000 0.525 -0.015) 0.525 15.193 ( 0.000 -8.811 22.346) 24.020 15.193 ( 0.000 8.811 22.346) 24.020 16.410 ( 0.000 -12.963 -0.881) 12.993 16.410 ( 0.000 12.963 -0.881) 12.993 16.512 ( 0.000 -6.694 -8.225) 10.604 16.512 ( 0.000 6.694 -8.225) 10.604 17.268 ( 0.000 -4.806 12.731) 13.608 17.268 ( 0.000 4.806 12.731) 13.608 18.368 ( 0.000 -5.131 15.791) 16.603 18.368 ( 0.000 5.131 15.791) 16.603 19.009 ( 0.000 -2.564 -19.912) 20.076 19.009 ( 0.000 2.564 -19.912) 20.076 19.907 ( 0.000 -3.874 -16.927) 17.364 19.907 ( 0.000 3.874 -16.927) 17.364 20.812 ( 0.000 -12.598 -11.498) 17.057 20.812 ( 0.000 12.598 -11.498) 17.057 22.083 ( 0.000 -15.354 2.994) 15.643 22.083 ( 0.000 15.354 2.994) 15.643 22.160 ( 0.000 -16.477 5.835) 17.480 22.160 ( 0.000 16.477 5.835) 17.480 22.454 ( 0.000 -18.507 0.916) 18.529 22.454 ( 0.000 18.507 0.916) 18.529 23.125 ( 0.000 -6.654 5.637) 8.721 23.125 ( 0.000 6.654 5.637) 8.721 24.266 ( 0.000 -8.478 11.172) 14.025 24.266 ( 0.000 8.478 11.172) 14.025 25.024 ( 0.000 -12.411 12.608) 17.692 25.024 ( 0.000 12.411 12.608) 17.692 25.061 ( 0.000 -8.723 3.937) 9.571 25.061 ( 0.000 8.723 3.937) 9.571 25.217 ( 0.000 -3.203 6.900) 7.607 25.217 ( 0.000 3.203 6.900) 7.607 25.286 ( 0.000 -11.249 4.721) 12.199 25.286 ( 0.000 11.249 4.721) 12.199 25.609 ( 0.000 -12.934 13.779) 18.898 25.609 ( 0.000 12.934 13.779) 18.898 26.180 ( 0.000 -4.398 -8.102) 9.219 26.180 ( 0.000 4.398 -8.102) 9.219 27.151 ( 0.000 -8.251 -15.461) 17.525 27.151 ( 0.000 8.251 -15.461) 17.525 27.504 ( 0.000 -2.896 9.027) 9.480 27.504 ( 0.000 2.896 9.027) 9.480 27.828 ( 0.000 -8.378 8.939) 12.252 27.828 ( 0.000 8.378 8.939) 12.252 28.352 ( 0.000 -5.431 11.311) 12.547 28.352 ( 0.000 5.431 11.311) 12.547 29.262 ( 0.000 -18.160 -2.130) 18.285 29.262 ( 0.000 18.160 -2.130) 18.285 34.915 ( 0.000 -3.041 5.158) 5.988 34.915 ( 0.000 3.041 5.158) 5.988 35.169 ( 0.000 -0.913 -2.402) 2.570 35.169 ( 0.000 0.913 -2.402) 2.570 35.228 ( 0.000 -0.456 -4.119) 4.144 35.228 ( 0.000 0.456 -4.119) 4.144 35.588 ( 0.000 -1.975 2.405) 3.112 35.588 ( 0.000 1.975 2.405) 3.112 35.921 ( 0.000 -5.997 -5.149) 7.904 35.921 ( 0.000 5.997 -5.149) 7.904 36.345 ( 0.000 -13.807 -12.683) 18.748 36.345 ( 0.000 13.807 -12.683) 18.748 37.316 ( 0.000 -23.452 2.997) 23.643 37.316 ( 0.000 23.452 2.997) 23.643 38.546 ( 0.000 -6.019 -7.002) 9.233 38.546 ( 0.000 6.019 -7.002) 9.233 39.048 ( 0.000 -2.468 -14.826) 15.031 39.048 ( 0.000 2.468 -14.826) 15.031 39.361 ( 0.000 -5.227 -11.932) 13.026 39.361 ( 0.000 5.227 -11.932) 13.026 ======================= Grid point 62 (26/54) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 3.951 -10.526 11.231) 15.891 2.648 ( 3.951 10.526 11.231) 15.891 2.817 ( 3.719 -11.233 11.325) 16.379 2.817 ( 3.719 11.233 11.325) 16.379 3.012 ( -3.417 -7.728 -0.564) 8.468 3.012 ( -3.417 7.728 -0.564) 8.468 3.192 ( 0.482 -2.579 4.329) 5.062 3.192 ( 0.482 2.579 4.329) 5.062 3.301 ( 0.550 -3.435 4.956) 6.055 3.301 ( 0.550 3.435 4.956) 6.055 3.414 ( -0.071 -4.284 5.014) 6.595 3.414 ( -0.071 4.284 5.014) 6.595 3.671 ( 12.654 -6.896 9.704) 17.374 3.671 ( 12.654 6.896 9.704) 17.374 4.040 ( -1.870 -18.006 6.735) 19.315 4.040 ( -1.870 18.006 6.735) 19.315 4.317 ( -2.944 -2.614 3.648) 5.368 4.317 ( -2.944 2.614 3.648) 5.368 4.589 ( 4.243 -11.280 16.935) 20.786 4.589 ( 4.243 11.280 16.935) 20.786 4.844 ( 10.794 -0.735 10.147) 14.833 4.844 ( 10.794 0.735 10.147) 14.833 5.221 ( -1.189 -4.379 17.786) 18.356 5.221 ( -1.189 4.379 17.786) 18.356 5.492 ( 5.816 -12.674 26.932) 30.328 5.492 ( 5.816 12.674 26.932) 30.328 5.757 ( 10.384 -9.927 14.206) 20.203 5.757 ( 10.384 9.927 14.206) 20.203 6.705 ( -0.774 -8.472 2.529) 8.875 6.705 ( -0.774 8.472 2.529) 8.875 7.301 ( 17.806 -5.234 11.291) 21.724 7.301 ( 17.806 5.234 11.291) 21.724 7.511 ( -22.949 -22.236 2.619) 32.062 7.511 ( -22.949 22.236 2.619) 32.062 8.062 ( -5.145 -16.156 -1.999) 17.073 8.062 ( -5.145 16.156 -1.999) 17.073 8.499 ( -21.993 -16.542 2.070) 27.597 8.499 ( -21.993 16.542 2.070) 27.597 8.864 ( 5.155 -7.183 -7.806) 11.795 8.864 ( 5.155 7.183 -7.806) 11.795 9.109 ( -1.109 -3.033 -8.551) 9.141 9.109 ( -1.109 3.033 -8.551) 9.141 9.693 ( -8.634 -7.764 4.492) 12.450 9.693 ( -8.634 7.764 4.492) 12.450 9.729 ( -6.799 -7.326 -1.978) 10.188 9.729 ( -6.799 7.326 -1.978) 10.188 10.559 ( -3.485 -8.232 -4.400) 9.964 10.559 ( -3.485 8.232 -4.400) 9.964 10.999 ( -9.491 -9.369 0.021) 13.337 10.999 ( -9.491 9.369 0.021) 13.337 11.245 ( -0.122 -5.523 3.850) 6.733 11.245 ( -0.122 5.523 3.850) 6.733 11.644 ( 14.166 -3.467 -7.376) 16.343 11.644 ( 14.166 3.467 -7.376) 16.343 12.022 ( 0.004 -12.979 -4.760) 13.824 12.022 ( 0.004 12.979 -4.760) 13.824 12.295 ( 10.722 -12.491 -7.721) 18.183 12.295 ( 10.722 12.491 -7.721) 18.183 12.501 ( 6.295 -13.323 1.146) 14.780 12.501 ( 6.295 13.323 1.146) 14.780 12.866 ( 5.950 -14.955 -0.243) 16.097 12.866 ( 5.950 14.955 -0.243) 16.097 13.094 ( -4.077 -8.652 -5.093) 10.836 13.094 ( -4.077 8.652 -5.093) 10.836 13.391 ( 1.072 -2.490 -8.872) 9.277 13.391 ( 1.072 2.490 -8.872) 9.277 13.668 ( -4.940 -11.745 -0.251) 12.744 13.668 ( -4.940 11.745 -0.251) 12.744 13.844 ( 0.789 -1.596 -5.925) 6.186 13.844 ( 0.789 1.596 -5.925) 6.186 14.092 ( -0.457 -5.067 -5.659) 7.610 14.092 ( -0.457 5.067 -5.659) 7.610 14.427 ( -7.896 -1.953 -7.140) 10.823 14.427 ( -7.896 1.953 -7.140) 10.823 14.601 ( -5.851 -4.617 -5.798) 9.443 14.601 ( -5.851 4.617 -5.798) 9.443 15.522 ( 24.621 -13.661 15.825) 32.299 15.522 ( 24.621 13.661 15.825) 32.299 16.405 ( -1.067 -15.483 1.537) 15.595 16.405 ( -1.067 15.483 1.537) 15.595 16.530 ( 1.898 -8.790 -7.743) 11.867 16.530 ( 1.898 8.790 -7.743) 11.867 17.102 ( -14.164 -6.734 11.279) 19.318 17.102 ( -14.164 6.734 11.279) 19.318 18.526 ( 13.022 -5.392 13.550) 19.551 18.526 ( 13.022 5.392 13.550) 19.551 19.002 ( -0.909 -2.693 -16.628) 16.869 19.002 ( -0.909 2.693 -16.628) 16.869 19.925 ( 2.307 -3.020 -18.064) 18.460 19.925 ( 2.307 3.020 -18.064) 18.460 20.661 ( -13.858 -9.322 -10.686) 19.828 20.661 ( -13.858 9.322 -10.686) 19.828 21.941 ( -3.078 -20.451 2.289) 20.808 21.941 ( -3.078 20.451 2.289) 20.808 22.311 ( -3.471 -9.644 5.270) 11.525 22.311 ( -3.471 9.644 5.270) 11.525 22.498 ( 11.559 -11.198 1.461) 16.160 22.498 ( 11.559 11.198 1.461) 16.160 23.085 ( -3.942 -5.462 5.699) 8.823 23.085 ( -3.942 5.462 5.699) 8.823 24.292 ( 2.721 -8.121 11.500) 14.339 24.292 ( 2.721 8.121 11.500) 14.339 24.844 ( -14.095 -11.809 14.642) 23.505 24.844 ( -14.095 11.809 14.642) 23.505 25.087 ( 2.821 -2.991 3.762) 5.573 25.087 ( 2.821 2.991 3.762) 5.573 25.230 ( -0.223 -4.722 7.429) 8.805 25.230 ( -0.223 4.722 7.429) 8.805 25.294 ( 2.412 -9.177 5.289) 10.863 25.294 ( 2.412 9.177 5.289) 10.863 25.574 ( -3.543 -10.487 12.468) 16.673 25.574 ( -3.543 10.487 12.468) 16.673 26.368 ( 14.379 -7.444 -12.752) 20.611 26.368 ( 14.379 7.444 -12.752) 20.611 27.026 ( -8.548 -6.730 -13.750) 17.534 27.026 ( -8.548 6.730 -13.750) 17.534 27.595 ( 7.647 -2.973 6.855) 10.691 27.595 ( 7.647 2.973 6.855) 10.691 28.039 ( 13.461 -13.346 6.971) 20.197 28.039 ( 13.461 13.346 6.971) 20.197 28.323 ( 0.242 -9.974 9.730) 13.936 28.323 ( 0.242 9.974 9.730) 13.936 29.181 ( -7.994 -20.603 -1.415) 22.145 29.181 ( -7.994 20.603 -1.415) 22.145 34.940 ( 2.412 -2.895 4.613) 5.956 34.940 ( 2.412 2.895 4.613) 5.956 35.146 ( -2.088 -1.154 -1.651) 2.901 35.146 ( -2.088 1.154 -1.651) 2.901 35.244 ( 1.400 -0.665 -3.980) 4.271 35.244 ( 1.400 0.665 -3.980) 4.271 35.486 ( -7.175 -2.538 0.225) 7.614 35.486 ( -7.175 2.538 0.225) 7.614 36.033 ( 7.997 -4.169 -3.974) 9.855 36.033 ( 7.997 4.169 -3.974) 9.855 36.326 ( -1.787 -11.786 -10.978) 16.206 36.326 ( -1.787 11.786 -10.978) 16.206 37.414 ( 9.382 -21.987 2.056) 23.993 37.414 ( 9.382 21.987 2.056) 23.993 38.382 ( -14.465 -7.337 -5.641) 17.172 38.382 ( -14.465 7.337 -5.641) 17.172 39.088 ( 3.187 -0.874 -12.924) 13.340 39.088 ( 3.187 0.874 -12.924) 13.340 39.323 ( -3.439 -3.601 -10.873) 11.959 39.323 ( -3.439 3.601 -10.873) 11.959 ======================= Grid point 64 (27/54) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 5.233 -12.325 2.225) 13.573 2.744 ( 5.233 12.325 2.225) 13.573 2.844 ( -3.530 -8.487 -0.172) 9.193 2.844 ( -3.530 8.487 -0.172) 9.193 3.019 ( 6.201 -6.550 9.255) 12.924 3.019 ( 6.201 6.550 9.255) 12.924 3.158 ( -5.239 -2.517 6.840) 8.976 3.158 ( -5.239 2.517 6.840) 8.976 3.346 ( 3.405 -2.123 2.840) 4.916 3.346 ( 3.405 2.123 2.840) 4.916 3.399 ( -1.554 -3.657 0.708) 4.036 3.399 ( -1.554 3.657 0.708) 4.036 3.855 ( 5.764 -11.220 9.785) 15.965 3.855 ( 5.764 11.220 9.785) 15.965 3.969 ( -5.349 -15.734 6.453) 17.827 3.969 ( -5.349 15.734 6.453) 17.827 4.318 ( 6.256 -2.971 10.116) 12.260 4.318 ( 6.256 2.971 10.116) 12.260 4.515 ( -9.521 -1.139 5.671) 11.140 4.515 ( -9.521 1.139 5.671) 11.140 5.075 ( 8.662 -5.401 9.126) 13.693 5.075 ( 8.662 5.401 9.126) 13.693 5.201 ( -4.001 -15.573 23.972) 28.865 5.201 ( -4.001 15.573 23.972) 28.865 5.816 ( 24.909 -20.955 23.986) 40.434 5.816 ( 24.909 20.955 23.986) 40.434 6.126 ( 14.014 -12.290 19.637) 27.075 6.126 ( 14.014 12.290 19.637) 27.075 6.625 ( 0.990 -8.651 7.372) 11.409 6.625 ( 0.990 8.651 7.372) 11.409 7.096 ( -21.747 -8.752 20.031) 30.835 7.096 ( -21.747 8.752 20.031) 30.835 7.538 ( 4.493 -8.007 0.693) 9.207 7.538 ( 4.493 8.007 0.693) 9.207 7.842 ( -25.948 -17.153 -2.730) 31.225 7.842 ( -25.948 17.153 -2.730) 31.225 8.194 ( 17.910 -14.108 2.880) 22.980 8.194 ( 17.910 14.108 2.880) 22.980 8.705 ( -25.575 -7.270 1.025) 26.608 8.705 ( -25.575 7.270 1.025) 26.608 9.138 ( 12.302 -7.257 -11.420) 18.287 9.138 ( 12.302 7.257 -11.420) 18.287 9.423 ( -14.967 -8.678 -10.219) 20.093 9.423 ( -14.967 8.678 -10.219) 20.093 9.944 ( 19.964 -15.080 -5.878) 25.701 9.944 ( 19.964 15.080 -5.878) 25.701 10.346 ( -17.430 -14.962 -6.812) 23.960 10.346 ( -17.430 14.962 -6.812) 23.960 10.980 ( 6.719 -4.629 3.777) 8.992 10.980 ( 6.719 4.629 3.777) 8.992 11.153 ( -8.121 -5.968 4.878) 11.197 11.153 ( -8.121 5.968 4.878) 11.197 11.890 ( 9.268 -0.769 -9.800) 13.510 11.890 ( 9.268 0.769 -9.800) 13.510 12.008 ( -2.544 -5.110 -7.264) 9.239 12.008 ( -2.544 5.110 -7.264) 9.239 12.515 ( 9.584 -16.714 -1.126) 19.300 12.515 ( 9.584 16.714 -1.126) 19.300 12.606 ( 2.018 -15.600 3.762) 16.174 12.606 ( 2.018 15.600 3.762) 16.174 12.950 ( -0.400 -10.507 -5.212) 11.736 12.950 ( -0.400 10.507 -5.212) 11.736 13.000 ( -3.280 -5.311 -3.621) 7.216 13.000 ( -3.280 5.311 -3.621) 7.216 13.428 ( 5.646 -6.169 -2.228) 8.654 13.428 ( 5.646 6.169 -2.228) 8.654 13.577 ( -6.009 -7.112 0.928) 9.357 13.577 ( -6.009 7.112 0.928) 9.357 13.918 ( 6.152 -9.481 -11.499) 16.124 13.918 ( 6.152 9.481 -11.499) 16.124 14.039 ( -4.700 -9.151 -6.051) 11.935 14.039 ( -4.700 9.151 -6.051) 11.935 14.355 ( 1.102 -7.535 -6.062) 9.734 14.355 ( 1.102 7.535 -6.062) 9.734 14.454 ( -7.482 -8.238 -6.651) 12.965 14.454 ( -7.482 8.238 -6.651) 12.965 16.013 ( 21.614 -16.959 12.539) 30.199 16.013 ( 21.614 16.959 12.539) 30.199 16.325 ( -8.440 -18.304 6.843) 21.287 16.325 ( -8.440 18.304 6.843) 21.287 16.599 ( 5.466 -9.973 -3.919) 12.029 16.599 ( 5.466 9.973 -3.919) 12.029 16.792 ( -14.034 -9.679 4.885) 17.734 16.792 ( -14.034 9.679 4.885) 17.734 18.791 ( 11.332 -4.472 5.302) 13.286 18.791 ( 11.332 4.472 5.302) 13.286 18.952 ( -4.668 -3.128 -7.096) 9.051 18.952 ( -4.668 3.128 -7.096) 9.051 20.040 ( 9.935 -1.173 -17.341) 20.020 20.040 ( 9.935 1.173 -17.341) 20.020 20.326 ( -17.135 -5.480 -12.556) 21.939 20.326 ( -17.135 5.480 -12.556) 21.939 21.979 ( 6.015 -22.775 2.025) 23.643 21.979 ( 6.015 22.775 2.025) 23.643 22.147 ( -9.552 -19.924 3.069) 22.307 22.147 ( -9.552 19.924 3.069) 22.307 22.762 ( 11.964 -3.910 4.259) 13.288 22.762 ( 11.964 3.910 4.259) 13.288 22.964 ( -7.996 -3.594 5.375) 10.283 22.964 ( -7.996 3.594 5.375) 10.283 24.388 ( 6.916 -6.785 12.467) 15.789 24.388 ( 6.916 6.785 12.467) 15.789 24.574 ( -11.522 -5.899 14.060) 19.112 24.574 ( -11.522 5.899 14.060) 19.112 25.154 ( 3.356 -5.817 5.379) 8.604 25.154 ( 3.356 5.817 5.379) 8.604 25.209 ( -1.837 -7.144 6.751) 10.000 25.209 ( -1.837 7.144 6.751) 10.000 25.372 ( 4.817 -8.276 7.071) 11.904 25.372 ( 4.817 8.276 7.071) 11.904 25.478 ( -5.420 -9.350 9.560) 14.429 25.478 ( -5.420 9.350 9.560) 14.429 26.647 ( 12.100 -7.034 -16.316) 21.497 26.647 ( 12.100 7.034 -16.316) 21.497 26.855 ( -8.780 -6.181 -15.738) 19.052 26.855 ( -8.780 6.181 -15.738) 19.052 27.796 ( 11.657 -0.964 7.469) 13.878 27.796 ( 11.657 0.964 7.469) 13.878 28.028 ( -9.827 -1.786 8.355) 13.022 28.028 ( -9.827 1.786 8.355) 13.022 28.581 ( 19.322 -26.074 2.897) 32.582 28.581 ( 19.322 26.074 2.897) 32.582 28.942 ( -15.314 -24.805 0.229) 29.152 28.942 ( -15.314 24.805 0.229) 29.152 35.006 ( 3.892 -2.362 3.046) 5.478 35.006 ( 3.892 2.362 3.046) 5.478 35.087 ( -3.706 -1.591 0.635) 4.083 35.087 ( -3.706 1.591 0.635) 4.083 35.284 ( 2.679 -1.073 -3.499) 4.536 35.284 ( 2.679 1.073 -3.499) 4.536 35.359 ( -4.925 -1.850 -2.069) 5.654 35.359 ( -4.925 1.850 -2.069) 5.654 36.180 ( 5.999 -0.788 -4.901) 7.787 36.180 ( 5.999 0.788 -4.901) 7.787 36.274 ( -3.454 -6.827 -7.657) 10.825 36.274 ( -3.454 6.827 -7.657) 10.825 37.676 ( 15.974 -18.268 0.349) 24.270 37.676 ( 15.974 18.268 0.349) 24.270 38.034 ( -18.489 -13.347 -2.165) 22.906 38.034 ( -18.489 13.347 -2.165) 22.906 39.159 ( 3.777 -0.557 -10.702) 11.362 39.159 ( 3.777 0.557 -10.702) 11.362 39.241 ( -4.244 -1.382 -9.963) 10.917 39.241 ( -4.244 1.382 -9.963) 10.917 ======================= Grid point 75 (28/54) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 0.000 40.038) 40.038 2.588 ( 0.000 0.000 -2.687) 2.687 2.589 ( 0.000 0.000 -7.556) 7.556 2.722 ( 0.000 0.000 10.880) 10.880 3.061 ( 0.000 0.000 -0.714) 0.714 3.131 ( 0.000 0.000 4.202) 4.202 3.237 ( 0.000 0.000 0.957) 0.957 3.241 ( 0.000 0.000 -0.972) 0.972 3.307 ( 0.000 0.000 2.582) 2.582 3.378 ( 0.000 0.000 0.213) 0.213 3.441 ( 0.000 0.000 -1.704) 1.704 3.608 ( 0.000 0.000 -4.106) 4.106 3.654 ( 0.000 0.000 25.512) 25.512 3.772 ( 0.000 0.000 1.687) 1.687 3.997 ( 0.000 0.000 -6.950) 6.950 4.194 ( 0.000 0.000 -13.799) 13.799 4.286 ( 0.000 0.000 5.248) 5.248 4.666 ( 0.000 0.000 2.327) 2.327 4.728 ( 0.000 0.000 0.619) 0.619 4.731 ( 0.000 0.000 32.743) 32.743 4.747 ( 0.000 0.000 -7.164) 7.164 5.248 ( 0.000 0.000 35.333) 35.333 5.266 ( 0.000 0.000 4.682) 4.682 5.406 ( 0.000 0.000 2.223) 2.223 5.887 ( 0.000 0.000 14.622) 14.622 5.978 ( 0.000 0.000 22.308) 22.308 6.299 ( 0.000 0.000 37.624) 37.624 6.597 ( 0.000 0.000 2.855) 2.855 6.648 ( 0.000 0.000 -4.472) 4.472 6.960 ( 0.000 0.000 13.009) 13.009 7.015 ( 0.000 0.000 19.849) 19.849 7.348 ( 0.000 0.000 33.100) 33.100 7.770 ( 0.000 0.000 -7.677) 7.677 7.811 ( 0.000 0.000 28.774) 28.774 7.920 ( 0.000 0.000 9.702) 9.702 8.330 ( 0.000 0.000 4.253) 4.253 8.511 ( 0.000 0.000 15.419) 15.419 8.723 ( 0.000 0.000 0.990) 0.990 8.912 ( 0.000 0.000 -12.259) 12.259 9.098 ( 0.000 0.000 -2.148) 2.148 9.162 ( 0.000 0.000 8.187) 8.187 9.688 ( 0.000 0.000 3.478) 3.478 9.701 ( 0.000 0.000 -2.327) 2.327 9.962 ( 0.000 0.000 -0.705) 0.705 10.108 ( 0.000 0.000 2.109) 2.109 10.182 ( 0.000 0.000 6.394) 6.394 10.192 ( 0.000 0.000 13.869) 13.869 10.313 ( 0.000 0.000 -25.573) 25.573 10.617 ( 0.000 0.000 2.408) 2.408 10.946 ( 0.000 0.000 1.351) 1.351 11.102 ( 0.000 0.000 -0.484) 0.484 11.352 ( 0.000 0.000 -0.074) 0.074 11.685 ( 0.000 0.000 -7.183) 7.183 11.693 ( 0.000 0.000 -5.655) 5.655 11.851 ( 0.000 0.000 -5.696) 5.696 11.877 ( 0.000 0.000 5.375) 5.375 11.921 ( 0.000 0.000 -12.468) 12.468 11.965 ( 0.000 0.000 12.541) 12.541 12.129 ( 0.000 0.000 0.942) 0.942 12.364 ( 0.000 0.000 -16.690) 16.690 12.736 ( 0.000 0.000 -6.741) 6.741 12.962 ( 0.000 0.000 -19.991) 19.991 13.045 ( 0.000 0.000 -6.253) 6.253 13.060 ( 0.000 0.000 -16.112) 16.112 13.214 ( 0.000 0.000 -9.625) 9.625 13.236 ( 0.000 0.000 -7.274) 7.274 13.406 ( 0.000 0.000 -8.466) 8.466 13.444 ( 0.000 0.000 -16.201) 16.201 13.717 ( 0.000 0.000 -21.432) 21.432 13.927 ( 0.000 0.000 3.260) 3.260 14.060 ( 0.000 0.000 -3.323) 3.323 14.099 ( 0.000 0.000 -2.128) 2.128 14.203 ( 0.000 0.000 -1.318) 1.318 14.541 ( 0.000 0.000 0.212) 0.212 14.542 ( 0.000 0.000 1.687) 1.687 14.662 ( 0.000 0.000 3.273) 3.273 15.353 ( 0.000 0.000 5.509) 5.509 15.600 ( 0.000 0.000 23.118) 23.118 16.047 ( 0.000 0.000 -1.248) 1.248 16.175 ( 0.000 0.000 -1.655) 1.655 16.553 ( 0.000 0.000 -15.549) 15.549 16.614 ( 0.000 0.000 -2.083) 2.083 17.597 ( 0.000 0.000 24.096) 24.096 17.729 ( 0.000 0.000 11.187) 11.187 18.025 ( 0.000 0.000 -26.375) 26.375 18.480 ( 0.000 0.000 -12.136) 12.136 18.523 ( 0.000 0.000 -14.075) 14.075 19.069 ( 0.000 0.000 11.320) 11.320 19.430 ( 0.000 0.000 -14.445) 14.445 19.887 ( 0.000 0.000 -5.065) 5.065 20.418 ( 0.000 0.000 -11.242) 11.242 21.010 ( 0.000 0.000 -16.657) 16.657 21.458 ( 0.000 0.000 4.302) 4.302 21.719 ( 0.000 0.000 0.708) 0.708 22.118 ( 0.000 0.000 9.484) 9.484 22.522 ( 0.000 0.000 8.835) 8.835 22.875 ( 0.000 0.000 5.256) 5.256 23.340 ( 0.000 0.000 2.512) 2.512 23.399 ( 0.000 0.000 5.248) 5.248 23.406 ( 0.000 0.000 0.387) 0.387 23.958 ( 0.000 0.000 8.696) 8.696 24.273 ( 0.000 0.000 -1.582) 1.582 24.691 ( 0.000 0.000 12.313) 12.313 25.048 ( 0.000 0.000 9.285) 9.285 25.071 ( 0.000 0.000 4.501) 4.501 25.213 ( 0.000 0.000 6.450) 6.450 25.390 ( 0.000 0.000 2.626) 2.626 25.439 ( 0.000 0.000 5.942) 5.942 25.519 ( 0.000 0.000 11.437) 11.437 25.551 ( 0.000 0.000 -0.707) 0.707 25.784 ( 0.000 0.000 -12.927) 12.927 25.838 ( 0.000 0.000 5.975) 5.975 26.182 ( 0.000 0.000 -4.350) 4.350 26.358 ( 0.000 0.000 -12.074) 12.074 26.517 ( 0.000 0.000 -0.124) 0.124 27.054 ( 0.000 0.000 -14.915) 14.915 27.603 ( 0.000 0.000 11.813) 11.813 27.695 ( 0.000 0.000 14.175) 14.175 28.044 ( 0.000 0.000 15.808) 15.808 28.229 ( 0.000 0.000 11.459) 11.459 28.466 ( 0.000 0.000 9.933) 9.933 28.701 ( 0.000 0.000 1.699) 1.699 28.959 ( 0.000 0.000 -2.570) 2.570 29.589 ( 0.000 0.000 -12.595) 12.595 34.953 ( 0.000 0.000 4.227) 4.227 35.015 ( 0.000 0.000 -1.131) 1.131 35.064 ( 0.000 0.000 -0.838) 0.838 35.109 ( 0.000 0.000 -1.125) 1.125 35.113 ( 0.000 0.000 -1.857) 1.857 35.190 ( 0.000 0.000 2.174) 2.174 35.201 ( 0.000 0.000 -2.371) 2.371 35.689 ( 0.000 0.000 -2.201) 2.201 35.695 ( 0.000 0.000 5.812) 5.812 35.725 ( 0.000 0.000 6.101) 6.101 36.194 ( 0.000 0.000 -2.712) 2.712 36.378 ( 0.000 0.000 -9.054) 9.054 36.960 ( 0.000 0.000 10.268) 10.268 37.941 ( 0.000 0.000 -2.014) 2.014 38.422 ( 0.000 0.000 -19.766) 19.766 38.586 ( 0.000 0.000 -6.339) 6.339 38.610 ( 0.000 0.000 1.850) 1.850 38.775 ( 0.000 0.000 -15.367) 15.367 38.927 ( 0.000 0.000 -8.645) 8.645 39.213 ( 0.000 0.000 -10.516) 10.516 ======================= Grid point 76 (29/54) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -7.371 0.000 2.331) 7.731 2.580 ( -4.447 0.000 -10.409) 11.319 2.711 ( 12.079 0.000 34.905) 36.936 2.847 ( 7.481 0.000 7.118) 10.326 3.062 ( -1.367 0.000 -0.075) 1.369 3.146 ( 2.782 0.000 2.232) 3.567 3.188 ( -1.262 0.000 1.722) 2.135 3.281 ( 1.559 0.000 -1.519) 2.177 3.295 ( -0.993 0.000 2.710) 2.887 3.379 ( -0.316 0.000 -0.143) 0.346 3.426 ( -0.978 0.000 -0.722) 1.216 3.590 ( -1.901 0.000 -3.570) 4.045 3.764 ( -0.155 0.000 2.907) 2.911 3.792 ( 11.123 0.000 17.508) 20.742 4.020 ( 2.178 0.000 -7.125) 7.450 4.212 ( -7.171 0.000 9.693) 12.058 4.226 ( 2.986 0.000 -10.868) 11.271 4.592 ( -2.869 0.000 7.618) 8.140 4.736 ( 10.592 0.000 0.172) 10.593 4.808 ( 1.691 0.000 -5.877) 6.116 5.097 ( -14.009 0.000 3.434) 14.424 5.182 ( 7.162 0.000 18.333) 19.682 5.313 ( 22.053 0.000 14.192) 26.225 5.656 ( 27.696 0.000 36.638) 45.928 5.881 ( -5.105 0.000 20.222) 20.856 6.012 ( 8.381 0.000 17.251) 19.179 6.367 ( 3.886 0.000 23.894) 24.208 6.496 ( -7.814 0.000 7.386) 10.752 6.644 ( -1.749 0.000 8.703) 8.877 6.902 ( 3.049 0.000 1.429) 3.367 7.085 ( 8.411 0.000 12.289) 14.892 7.425 ( -0.243 0.000 37.179) 37.180 7.622 ( -13.608 0.000 -3.408) 14.028 7.697 ( -3.365 0.000 32.765) 32.937 8.041 ( -1.915 0.000 17.250) 17.356 8.400 ( -3.698 0.000 7.561) 8.417 8.429 ( 8.644 0.000 7.358) 11.351 8.675 ( -22.168 0.000 0.804) 22.182 8.848 ( 5.418 0.000 0.213) 5.422 9.012 ( -5.843 0.000 -6.711) 8.898 9.136 ( -13.208 0.000 -5.016) 14.129 9.430 ( -8.215 0.000 9.448) 12.520 9.473 ( -16.985 0.000 4.571) 17.590 9.825 ( -7.354 0.000 -0.385) 7.364 9.875 ( -8.039 0.000 -4.249) 9.093 10.111 ( -7.140 0.000 -3.906) 8.139 10.280 ( -10.747 0.000 -10.852) 15.273 10.452 ( 5.226 0.000 0.461) 5.246 10.638 ( 3.531 0.000 6.236) 7.167 10.916 ( -1.241 0.000 0.668) 1.409 11.060 ( 9.379 0.000 -9.432) 13.301 11.602 ( -3.453 0.000 -9.001) 9.641 11.604 ( 12.190 0.000 14.216) 18.727 11.785 ( -1.708 0.000 -12.226) 12.344 11.793 ( -3.514 0.000 3.360) 4.862 11.837 ( 5.738 0.000 -7.015) 9.063 11.975 ( 1.442 0.000 8.968) 9.083 12.089 ( 13.131 0.000 -14.037) 19.221 12.356 ( 16.106 0.000 3.467) 16.475 12.563 ( -10.432 0.000 -9.341) 14.003 12.630 ( 21.332 0.000 -11.845) 24.400 12.926 ( -2.285 0.000 -2.066) 3.080 12.967 ( 0.194 0.000 -21.881) 21.882 13.092 ( -10.645 0.000 -11.132) 15.403 13.157 ( -6.421 0.000 -8.471) 10.630 13.324 ( -10.272 0.000 -9.822) 14.212 13.336 ( 1.308 0.000 -5.443) 5.598 13.348 ( 9.829 0.000 -11.198) 14.899 13.755 ( -3.785 0.000 -11.636) 12.236 13.901 ( 3.149 0.000 -8.981) 9.517 13.935 ( -12.485 0.000 -3.611) 12.997 14.104 ( 1.091 0.000 -3.566) 3.729 14.318 ( 6.835 0.000 -2.162) 7.169 14.464 ( -3.309 0.000 1.376) 3.584 14.538 ( -0.610 0.000 0.713) 0.938 14.636 ( -2.184 0.000 4.801) 5.274 15.606 ( 17.512 0.000 0.294) 17.515 15.749 ( 13.892 0.000 21.636) 25.711 16.015 ( -2.094 0.000 -0.626) 2.185 16.302 ( 12.264 0.000 -1.777) 12.392 16.523 ( -2.416 0.000 -11.097) 11.357 16.657 ( 3.302 0.000 -4.322) 5.439 17.365 ( -19.264 0.000 22.660) 29.742 17.503 ( -16.883 0.000 5.686) 17.815 18.179 ( 9.996 0.000 -26.196) 28.038 18.513 ( 2.127 0.000 -11.461) 11.657 18.601 ( 6.636 0.000 -16.967) 18.218 19.130 ( -0.629 0.000 7.805) 7.831 19.506 ( 12.284 0.000 -9.907) 15.781 19.869 ( 0.187 0.000 -3.823) 3.828 20.446 ( -0.672 0.000 -4.964) 5.009 20.835 ( -15.981 0.000 -11.065) 19.438 21.243 ( -11.569 0.000 2.044) 11.748 21.699 ( -6.862 0.000 -1.374) 6.998 22.214 ( 8.461 0.000 5.367) 10.020 22.650 ( 11.530 0.000 8.446) 14.292 22.816 ( -6.004 0.000 3.911) 7.165 23.319 ( -0.079 0.000 3.523) 3.524 23.330 ( -6.943 0.000 1.535) 7.111 23.424 ( 0.645 0.000 5.332) 5.371 24.013 ( 5.313 0.000 7.801) 9.439 24.305 ( 1.965 0.000 -1.561) 2.509 24.727 ( 3.400 0.000 12.524) 12.977 24.997 ( -3.759 0.000 10.056) 10.736 25.033 ( -2.618 0.000 5.845) 6.404 25.252 ( 2.802 0.000 7.672) 8.168 25.344 ( -9.875 0.000 5.230) 11.174 25.458 ( 5.447 0.000 3.506) 6.478 25.480 ( -3.495 0.000 10.791) 11.343 25.561 ( 1.598 0.000 5.034) 5.281 25.802 ( -1.259 0.000 6.583) 6.702 25.882 ( 8.468 0.000 -13.930) 16.302 26.167 ( -5.313 0.000 8.167) 9.743 26.315 ( -3.914 0.000 -12.702) 13.292 26.504 ( 2.894 0.000 -11.791) 12.141 26.985 ( -6.991 0.000 -13.703) 15.384 27.678 ( 7.686 0.000 10.307) 12.858 27.800 ( 9.307 0.000 14.194) 16.973 27.898 ( 0.257 0.000 13.622) 13.625 28.394 ( -6.881 0.000 9.457) 11.695 28.444 ( 3.283 0.000 10.212) 10.727 28.607 ( -9.013 0.000 3.280) 9.591 29.014 ( 8.550 0.000 -7.983) 11.697 29.595 ( -0.825 0.000 -12.088) 12.116 34.949 ( -0.000 0.000 2.734) 2.734 35.038 ( 0.982 0.000 -1.244) 1.585 35.046 ( -0.743 0.000 -0.280) 0.794 35.110 ( 0.054 0.000 -1.061) 1.063 35.115 ( 0.079 0.000 -1.474) 1.476 35.169 ( -2.244 0.000 -1.534) 2.718 35.212 ( 2.140 0.000 2.588) 3.358 35.508 ( -7.932 0.000 3.403) 8.632 35.814 ( 7.361 0.000 3.299) 8.066 35.904 ( 10.584 0.000 -0.334) 10.589 36.167 ( -2.582 0.000 -1.765) 3.128 36.349 ( -2.905 0.000 -8.191) 8.691 37.079 ( 11.200 0.000 7.665) 13.572 37.991 ( 4.872 0.000 -2.598) 5.521 38.155 ( -18.086 0.000 -9.770) 20.556 38.506 ( -8.092 0.000 -2.786) 8.558 38.738 ( 7.395 0.000 -12.411) 14.447 38.848 ( 5.143 0.000 -10.635) 11.813 38.931 ( 0.082 0.000 -10.023) 10.024 39.172 ( -3.863 0.000 -9.948) 10.672 ======================= Grid point 77 (30/54) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 1.608 0.000 -2.789) 3.219 2.455 ( -6.900 0.000 -8.250) 10.755 2.967 ( 4.208 0.000 3.875) 5.720 3.026 ( -2.017 0.000 1.410) 2.461 3.029 ( 16.395 0.000 19.678) 25.613 3.184 ( 1.308 0.000 4.055) 4.261 3.201 ( 0.521 0.000 1.008) 1.135 3.249 ( -4.947 0.000 4.531) 6.708 3.316 ( 2.071 0.000 -1.967) 2.857 3.357 ( -1.746 0.000 -1.599) 2.368 3.433 ( 2.554 0.000 1.515) 2.969 3.524 ( -4.752 0.000 -0.425) 4.771 3.803 ( 5.140 0.000 7.445) 9.047 4.000 ( -12.795 0.000 12.245) 17.710 4.005 ( 7.541 0.000 4.508) 8.786 4.062 ( 0.901 0.000 -5.441) 5.515 4.331 ( 8.273 0.000 -6.971) 10.818 4.541 ( -7.813 0.000 6.172) 9.957 4.729 ( 0.716 0.000 -4.858) 4.911 4.890 ( -9.029 0.000 3.689) 9.753 4.965 ( 8.935 0.000 5.818) 10.662 5.111 ( -6.340 0.000 16.361) 17.546 5.677 ( 13.453 0.000 13.970) 19.394 6.056 ( 12.546 0.000 20.791) 24.284 6.058 ( -20.980 0.000 6.063) 21.839 6.317 ( 41.450 0.000 16.401) 44.577 6.369 ( -15.971 0.000 16.867) 23.228 6.594 ( 45.337 0.000 20.706) 49.842 6.743 ( 18.204 0.000 15.623) 23.989 7.051 ( -19.452 0.000 28.887) 34.826 7.170 ( -27.491 0.000 2.810) 27.635 7.242 ( 21.785 0.000 13.561) 25.661 7.549 ( -33.954 0.000 36.631) 49.947 7.603 ( 24.756 0.000 21.999) 33.119 7.618 ( -20.102 0.000 19.673) 28.127 8.251 ( -32.718 0.000 18.028) 37.356 8.284 ( 1.494 0.000 4.239) 4.494 8.445 ( -6.340 0.000 -1.697) 6.563 8.912 ( 2.929 0.000 3.997) 4.956 8.921 ( 9.162 0.000 -9.667) 13.319 9.021 ( 0.724 0.000 -15.233) 15.250 9.077 ( -15.434 0.000 9.753) 18.257 9.474 ( 5.099 0.000 4.210) 6.613 9.664 ( -12.836 0.000 6.784) 14.518 9.950 ( -3.538 0.000 -10.778) 11.344 9.970 ( 15.864 0.000 -7.668) 17.620 10.031 ( -9.724 0.000 -11.461) 15.031 10.302 ( -14.570 0.000 -6.877) 16.112 10.779 ( 6.444 0.000 5.255) 8.315 10.878 ( -3.386 0.000 2.640) 4.293 11.369 ( 15.883 0.000 -6.533) 17.174 11.586 ( 1.879 0.000 -8.277) 8.488 11.613 ( -7.884 0.000 -0.316) 7.890 11.664 ( -5.752 0.000 -2.960) 6.469 11.897 ( 8.359 0.000 5.246) 9.869 11.999 ( -0.842 0.000 6.988) 7.039 12.024 ( 10.760 0.000 -6.380) 12.510 12.266 ( -12.700 0.000 -7.194) 14.596 12.413 ( 17.512 0.000 -16.745) 24.230 12.743 ( 13.362 0.000 1.218) 13.417 12.764 ( -15.813 0.000 -15.825) 22.371 12.946 ( -6.392 0.000 0.076) 6.393 12.958 ( 4.076 0.000 -17.561) 18.028 13.031 ( 7.567 0.000 -1.670) 7.749 13.086 ( -6.146 0.000 -7.836) 9.959 13.192 ( 17.897 0.000 -7.103) 19.255 13.268 ( -9.722 0.000 2.237) 9.976 13.556 ( 8.177 0.000 -11.556) 14.157 13.613 ( -19.131 0.000 -5.939) 20.032 13.667 ( -3.412 0.000 -11.092) 11.605 13.976 ( 3.744 0.000 -13.208) 13.728 14.065 ( -4.154 0.000 -7.759) 8.801 14.437 ( 4.706 0.000 -1.979) 5.105 14.482 ( 3.947 0.000 2.884) 4.889 14.509 ( -2.419 0.000 -0.823) 2.555 14.572 ( -4.163 0.000 4.019) 5.787 15.868 ( 7.897 0.000 -1.714) 8.081 15.968 ( -2.964 0.000 -0.690) 3.043 16.104 ( 19.191 0.000 15.684) 24.785 16.420 ( -9.712 0.000 -0.829) 9.747 16.666 ( 21.998 0.000 -0.710) 22.010 16.745 ( 6.072 0.000 -1.006) 6.155 16.965 ( -16.897 0.000 13.806) 21.820 17.114 ( -21.123 0.000 2.360) 21.254 18.371 ( 8.675 0.000 -26.606) 27.985 18.506 ( -3.766 0.000 -18.431) 18.811 18.772 ( 10.067 0.000 -14.998) 18.063 18.989 ( -10.466 0.000 -7.108) 12.651 19.916 ( 24.615 0.000 -0.846) 24.629 19.973 ( 10.816 0.000 2.510) 11.103 20.266 ( -15.436 0.000 5.019) 16.232 20.419 ( -23.813 0.000 -3.593) 24.083 21.215 ( 8.360 0.000 -4.047) 9.288 21.465 ( -13.975 0.000 -3.278) 14.354 22.420 ( 11.109 0.000 1.520) 11.213 22.643 ( -10.393 0.000 1.607) 10.516 22.912 ( 12.893 0.000 6.196) 14.305 23.150 ( -10.479 0.000 3.807) 11.150 23.352 ( 2.779 0.000 4.969) 5.693 23.407 ( -2.126 0.000 5.559) 5.951 24.157 ( 8.128 0.000 4.987) 9.536 24.293 ( -4.022 0.000 0.422) 4.044 24.816 ( 5.005 0.000 12.846) 13.786 24.915 ( -4.439 0.000 12.105) 12.893 25.010 ( 1.264 0.000 9.323) 9.408 25.117 ( -9.582 0.000 11.101) 14.665 25.314 ( 3.478 0.000 8.850) 9.509 25.396 ( -4.417 0.000 9.731) 10.687 25.564 ( 3.902 0.000 5.128) 6.443 25.594 ( 0.728 0.000 6.194) 6.236 25.835 ( 4.804 0.000 7.517) 8.921 25.989 ( -9.602 0.000 10.516) 14.240 26.066 ( 8.605 0.000 -15.141) 17.416 26.213 ( -5.997 0.000 -14.424) 15.621 26.642 ( 8.593 0.000 -15.915) 18.087 26.817 ( -8.644 0.000 -14.024) 16.475 27.897 ( 12.723 0.000 8.588) 15.350 28.020 ( 9.349 0.000 12.828) 15.873 28.054 ( 12.327 0.000 8.312) 14.868 28.216 ( -7.738 0.000 8.056) 11.171 28.317 ( -11.989 0.000 7.692) 14.245 28.364 ( -13.759 0.000 7.433) 15.638 29.272 ( 13.784 0.000 -10.389) 17.261 29.506 ( -8.401 0.000 -11.249) 14.039 34.962 ( 1.329 0.000 0.940) 1.628 35.000 ( -2.247 0.000 -0.496) 2.301 35.083 ( 1.842 0.000 -0.780) 2.000 35.109 ( -0.746 0.000 -1.274) 1.476 35.114 ( 0.482 0.000 -1.031) 1.138 35.132 ( -1.331 0.000 -1.142) 1.754 35.274 ( 3.924 0.000 3.717) 5.405 35.371 ( -5.702 0.000 4.200) 7.082 35.969 ( 7.129 0.000 0.520) 7.148 36.091 ( -4.912 0.000 -0.564) 4.944 36.106 ( 8.989 0.000 -3.064) 9.497 36.259 ( -6.019 0.000 -5.936) 8.454 37.382 ( 17.755 0.000 2.402) 17.916 37.766 ( -19.617 0.000 -3.138) 19.866 38.130 ( 8.558 0.000 -3.781) 9.356 38.321 ( -9.759 0.000 -4.318) 10.672 38.852 ( 4.197 0.000 -12.102) 12.809 38.914 ( -1.950 0.000 -11.610) 11.773 38.957 ( 5.587 0.000 -8.791) 10.416 39.072 ( -5.592 0.000 -8.944) 10.548 ======================= Grid point 80 (31/54) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.000 9.776 -4.026) 10.572 2.733 ( 0.000 10.904 1.603) 11.022 2.763 ( 0.000 11.552 26.646) 29.042 2.785 ( 0.000 5.582 4.714) 7.306 3.079 ( 0.000 1.068 -1.180) 1.592 3.102 ( 0.000 -3.557 4.350) 5.619 3.207 ( 0.000 -3.121 1.638) 3.525 3.232 ( 0.000 -1.086 -0.784) 1.339 3.316 ( 0.000 3.815 2.095) 4.352 3.394 ( 0.000 -1.487 0.954) 1.767 3.424 ( 0.000 2.946 0.189) 2.952 3.571 ( 0.000 -2.827 -1.530) 3.215 3.742 ( 0.000 7.922 30.176) 31.198 3.856 ( 0.000 9.707 4.870) 10.861 4.140 ( 0.000 8.863 0.920) 8.910 4.204 ( 0.000 0.381 -7.314) 7.323 4.361 ( 0.000 -18.386 20.899) 27.835 4.434 ( 0.000 12.492 -5.835) 13.788 4.657 ( 0.000 -7.079 -6.670) 9.727 4.692 ( 0.000 -2.616 -1.293) 2.918 4.777 ( 0.000 -6.007 9.443) 11.192 5.001 ( 0.000 -12.572 6.304) 14.064 5.200 ( 0.000 -3.906 10.586) 11.283 5.621 ( 0.000 16.723 32.537) 36.583 5.934 ( 0.000 7.570 19.082) 20.529 5.935 ( 0.000 -4.935 20.034) 20.633 6.426 ( 0.000 4.548 31.391) 31.718 6.521 ( 0.000 -31.885 27.020) 41.795 6.648 ( 0.000 2.389 9.415) 9.714 6.689 ( 0.000 -5.476 -18.829) 19.609 7.172 ( 0.000 16.846 -2.304) 17.003 7.363 ( 0.000 3.343 28.255) 28.452 7.784 ( 0.000 -0.668 33.169) 33.176 8.029 ( 0.000 9.996 12.456) 15.971 8.042 ( 0.000 22.466 2.930) 22.656 8.319 ( 0.000 -8.814 6.396) 10.890 8.448 ( 0.000 -11.140 -3.033) 11.546 8.469 ( 0.000 -3.522 12.559) 13.044 8.877 ( 0.000 -3.291 -5.221) 6.171 9.006 ( 0.000 -12.904 4.064) 13.529 9.039 ( 0.000 -8.295 -1.850) 8.499 9.435 ( 0.000 -25.763 -3.560) 26.007 9.812 ( 0.000 7.987 -1.607) 8.147 9.957 ( 0.000 0.297 5.076) 5.085 10.003 ( 0.000 -2.993 6.879) 7.502 10.067 ( 0.000 -2.122 7.505) 7.800 10.372 ( 0.000 11.163 7.633) 13.523 10.528 ( 0.000 6.100 -10.172) 11.861 10.789 ( 0.000 18.198 -4.101) 18.654 10.970 ( 0.000 8.083 -1.367) 8.198 11.256 ( 0.000 6.052 -7.407) 9.565 11.264 ( 0.000 -5.781 -3.697) 6.862 11.477 ( 0.000 -15.442 5.365) 16.347 11.551 ( 0.000 -11.127 -2.936) 11.508 11.792 ( 0.000 -4.875 -12.871) 13.764 11.818 ( 0.000 7.638 -0.417) 7.649 11.915 ( 0.000 -0.471 -10.774) 10.784 12.124 ( 0.000 -0.447 -3.818) 3.844 12.420 ( 0.000 23.015 4.883) 23.528 12.473 ( 0.000 4.583 -3.337) 5.669 12.656 ( 0.000 -16.033 -9.626) 18.700 12.717 ( 0.000 0.528 -13.962) 13.972 12.993 ( 0.000 -8.893 -13.221) 15.933 13.027 ( 0.000 -3.468 -7.555) 8.313 13.235 ( 0.000 4.619 -3.821) 5.995 13.327 ( 0.000 -5.833 -6.832) 8.983 13.460 ( 0.000 11.631 -11.886) 16.630 13.535 ( 0.000 7.638 -13.758) 15.736 13.730 ( 0.000 2.019 -14.348) 14.489 13.906 ( 0.000 -10.000 -6.220) 11.776 13.911 ( 0.000 -2.216 -3.076) 3.792 14.031 ( 0.000 -6.535 -5.303) 8.415 14.224 ( 0.000 2.703 -3.506) 4.427 14.513 ( 0.000 -4.342 1.946) 4.758 14.631 ( 0.000 4.476 -0.625) 4.519 14.684 ( 0.000 1.829 3.337) 3.805 15.494 ( 0.000 11.306 7.939) 13.815 15.583 ( 0.000 -0.720 22.118) 22.129 16.132 ( 0.000 -1.825 -4.051) 4.443 16.146 ( 0.000 8.865 -2.403) 9.185 16.524 ( 0.000 -3.414 -13.272) 13.704 16.533 ( 0.000 -8.333 -5.939) 10.233 17.505 ( 0.000 -4.864 11.698) 12.669 17.618 ( 0.000 -8.659 8.305) 11.998 18.237 ( 0.000 16.167 -18.948) 24.907 18.532 ( 0.000 5.044 -3.520) 6.151 18.548 ( 0.000 1.271 -15.913) 15.964 18.969 ( 0.000 -9.756 12.704) 16.018 19.504 ( 0.000 6.413 -12.840) 14.353 19.815 ( 0.000 -6.538 -6.116) 8.953 20.460 ( 0.000 4.620 -9.213) 10.306 20.875 ( 0.000 -11.266 -12.081) 16.519 21.662 ( 0.000 19.351 3.342) 19.638 21.901 ( 0.000 15.637 -1.460) 15.705 22.165 ( 0.000 4.247 9.499) 10.406 22.469 ( 0.000 -4.501 8.413) 9.541 22.773 ( 0.000 -17.212 6.253) 18.313 22.991 ( 0.000 -27.738 3.111) 27.912 23.132 ( 0.000 -5.874 -0.020) 5.874 23.341 ( 0.000 -6.087 0.819) 6.142 24.257 ( 0.000 17.389 11.086) 20.622 24.478 ( 0.000 9.177 4.864) 10.386 24.793 ( 0.000 13.472 8.735) 16.056 25.079 ( 0.000 1.356 4.002) 4.226 25.102 ( 0.000 4.673 7.720) 9.024 25.255 ( 0.000 3.532 6.263) 7.190 25.343 ( 0.000 -3.475 4.028) 5.320 25.408 ( 0.000 -2.306 5.670) 6.121 25.485 ( 0.000 -6.355 0.700) 6.394 25.614 ( 0.000 7.569 9.391) 12.062 25.618 ( 0.000 -14.994 1.919) 15.116 25.854 ( 0.000 0.607 -10.431) 10.448 26.142 ( 0.000 -3.527 -4.245) 5.519 26.182 ( 0.000 -10.242 4.342) 11.125 26.672 ( 0.000 9.358 -10.556) 14.107 26.996 ( 0.000 -5.406 -14.635) 15.601 27.640 ( 0.000 3.671 12.553) 13.079 27.771 ( 0.000 5.416 14.329) 15.319 27.978 ( 0.000 -4.483 14.374) 15.057 28.174 ( 0.000 -5.211 11.230) 12.380 28.489 ( 0.000 2.165 9.797) 10.033 28.653 ( 0.000 -4.874 5.175) 7.109 28.983 ( 0.000 5.075 -2.534) 5.673 29.458 ( 0.000 -11.839 -10.385) 15.748 34.976 ( 0.000 1.641 4.200) 4.509 35.029 ( 0.000 0.357 1.504) 1.545 35.116 ( 0.000 0.697 -2.488) 2.584 35.118 ( 0.000 0.813 -2.320) 2.458 35.120 ( 0.000 1.112 -2.768) 2.983 35.178 ( 0.000 -0.637 -0.616) 0.887 35.388 ( 0.000 16.560 -5.562) 17.469 35.670 ( 0.000 -1.674 0.167) 1.682 35.730 ( 0.000 4.028 4.373) 5.945 35.769 ( 0.000 3.709 2.217) 4.321 36.159 ( 0.000 -2.462 -1.523) 2.895 36.331 ( 0.000 -4.972 -8.676) 10.000 37.069 ( 0.000 10.532 7.781) 13.094 37.744 ( 0.000 -16.720 -1.157) 16.760 38.368 ( 0.000 -2.354 -12.337) 12.559 38.509 ( 0.000 -6.372 -8.688) 10.775 38.687 ( 0.000 5.259 -7.615) 9.255 38.788 ( 0.000 0.472 -13.674) 13.682 39.040 ( 0.000 8.123 -7.720) 11.206 39.212 ( 0.000 -0.488 -9.579) 9.591 ======================= Grid point 81 (32/54) ======================= q-point: ( 0.20 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -6.604 11.796 3.516) 13.969 2.689 ( -4.729 10.074 -5.770) 12.535 2.847 ( 6.490 5.092 13.615) 15.919 2.927 ( 8.686 8.487 13.903) 18.460 3.032 ( -2.497 -3.203 -0.343) 4.075 3.155 ( 2.853 -0.400 3.948) 4.888 3.185 ( -0.193 0.046 1.634) 1.646 3.248 ( 1.007 -2.192 0.294) 2.431 3.306 ( -0.011 2.191 0.380) 2.224 3.381 ( -0.772 -1.127 1.454) 1.995 3.417 ( -0.750 2.141 0.558) 2.337 3.553 ( -1.913 -3.192 -1.033) 3.863 3.798 ( -0.094 6.354 8.889) 10.927 3.915 ( 9.540 8.593 17.892) 22.022 4.114 ( -0.254 1.538 7.488) 7.648 4.184 ( -6.206 1.868 -3.157) 7.209 4.320 ( 5.171 6.944 -4.253) 9.646 4.608 ( 7.906 1.340 -4.064) 8.990 4.648 ( -2.413 -6.858 0.435) 7.283 4.702 ( -4.320 -13.561 2.094) 14.385 4.868 ( 6.594 -4.847 7.491) 11.095 5.113 ( 8.394 -0.214 10.082) 13.121 5.311 ( 12.998 -13.940 15.580) 24.617 5.765 ( -1.063 -5.281 14.255) 15.239 5.835 ( 18.852 15.317 35.556) 43.061 6.096 ( 7.514 4.958 16.334) 18.651 6.399 ( -10.482 -0.835 15.839) 19.012 6.465 ( 8.654 -7.559 21.455) 24.339 6.680 ( -0.967 5.833 15.377) 16.474 6.901 ( 16.636 -10.497 6.174) 20.617 7.038 ( -4.134 8.468 1.529) 9.547 7.456 ( 5.076 2.310 15.998) 16.942 7.711 ( -13.653 14.108 11.602) 22.805 7.844 ( -2.484 6.388 32.810) 33.518 8.123 ( -4.373 3.114 16.910) 17.741 8.295 ( -6.024 -8.711 -1.924) 10.765 8.339 ( -1.577 -4.983 15.868) 16.707 8.609 ( 4.049 -2.566 3.157) 5.740 8.777 ( -9.110 1.009 -1.001) 9.221 8.931 ( -4.797 -8.692 -4.184) 10.774 9.093 ( -2.685 -8.728 -4.319) 10.101 9.310 ( -11.357 -16.496 7.567) 21.409 9.497 ( -16.121 3.141 -5.868) 17.441 9.711 ( -17.712 -3.804 3.500) 18.451 9.821 ( -12.873 -2.916 -0.187) 13.201 10.078 ( 0.686 -5.730 2.407) 6.253 10.254 ( -11.653 7.423 -1.273) 13.875 10.607 ( 6.296 0.275 5.653) 8.466 10.820 ( -3.654 6.298 -2.637) 7.744 10.925 ( -2.373 19.784 -8.119) 21.516 11.267 ( 6.003 9.136 -9.470) 14.463 11.342 ( -5.000 -15.227 5.554) 16.962 11.460 ( 5.802 -8.853 -4.582) 11.535 11.536 ( 2.085 -11.593 -5.770) 13.116 11.772 ( 3.164 -5.053 -14.287) 15.480 11.930 ( 11.256 13.616 -0.438) 17.672 12.170 ( 11.551 -2.832 -5.490) 13.099 12.308 ( 4.946 10.850 3.677) 12.479 12.378 ( 4.079 -3.082 -5.061) 7.194 12.567 ( 0.620 9.926 -4.831) 11.056 12.689 ( 6.505 -8.952 -7.477) 13.355 12.721 ( 10.945 5.707 -11.643) 16.968 12.984 ( -1.830 -0.750 -5.713) 6.046 13.122 ( 1.271 -2.409 -6.451) 7.003 13.199 ( -5.077 1.217 -6.615) 8.427 13.267 ( -0.307 -2.650 -7.815) 8.258 13.411 ( -2.162 5.986 -7.424) 9.779 13.484 ( -3.163 12.112 -13.947) 18.741 13.736 ( -6.702 -2.186 -8.352) 10.929 13.847 ( 5.057 -4.168 -12.285) 13.923 13.928 ( -7.058 -3.022 -8.163) 11.206 14.031 ( 1.432 -7.032 -7.612) 10.462 14.195 ( -0.378 -2.605 3.563) 4.430 14.500 ( -7.414 -1.176 3.802) 8.415 14.530 ( -0.343 0.034 -1.474) 1.513 14.646 ( -3.624 -1.124 2.326) 4.450 15.698 ( 13.021 4.827 11.972) 18.335 15.810 ( 20.856 9.015 8.765) 24.353 16.104 ( 0.212 5.629 -0.125) 5.635 16.244 ( 7.803 -1.460 -3.361) 8.620 16.498 ( -0.846 -3.845 -11.137) 11.813 16.590 ( 3.709 -6.767 -6.727) 10.237 17.319 ( -16.577 -2.622 15.257) 22.681 17.428 ( -16.106 -6.549 7.310) 18.861 18.307 ( 6.228 11.470 -25.376) 28.536 18.560 ( 2.995 3.548 -10.535) 11.513 18.633 ( 5.692 3.031 -11.972) 13.599 19.047 ( 2.647 -8.889 9.340) 13.163 19.544 ( 7.481 4.378 -9.822) 13.100 19.811 ( 1.228 -5.451 -4.601) 7.238 20.443 ( -3.934 0.832 -3.817) 5.544 20.717 ( -14.744 -9.381 -7.077) 18.854 21.479 ( -8.913 20.884 0.855) 22.723 21.893 ( -6.394 17.826 -1.836) 19.027 22.218 ( 5.563 -1.557 4.437) 7.284 22.593 ( 9.672 -5.042 8.603) 13.892 22.762 ( -1.759 -8.694 5.577) 10.478 22.965 ( -0.086 -27.064 1.279) 27.095 23.152 ( 0.830 -9.838 2.303) 10.138 23.290 ( -4.782 -5.675 1.516) 7.574 24.294 ( 3.752 16.975 10.837) 20.485 24.496 ( 1.504 9.428 4.814) 10.692 24.813 ( 1.350 10.301 10.155) 14.528 25.005 ( -5.206 2.603 6.690) 8.868 25.097 ( -0.193 4.920 5.882) 7.670 25.286 ( -11.055 -5.894 6.204) 13.980 25.298 ( 2.797 4.025 7.579) 9.026 25.388 ( 3.419 -4.993 5.271) 8.026 25.479 ( 1.751 -2.491 6.180) 6.890 25.597 ( -0.372 -0.572 6.004) 6.042 25.643 ( 0.265 -6.217 6.054) 8.682 25.931 ( 5.401 -0.457 -8.535) 10.111 26.087 ( -3.748 -3.093 5.767) 7.542 26.278 ( 7.683 -5.193 -10.321) 13.875 26.585 ( -6.400 7.409 -12.459) 15.846 26.912 ( -7.673 -6.460 -13.057) 16.465 27.707 ( 7.199 2.702 10.710) 13.184 27.860 ( 2.707 -3.327 12.981) 13.671 27.933 ( 10.080 11.854 12.226) 19.789 28.374 ( 1.420 -3.605 10.577) 11.264 28.425 ( -5.037 0.758 8.824) 10.188 28.655 ( 3.265 -2.158 2.937) 4.893 28.914 ( -3.567 -1.279 -3.707) 5.301 29.443 ( -2.502 -13.654 -9.441) 16.788 34.980 ( 0.514 2.168 3.038) 3.768 35.050 ( 1.660 0.024 1.053) 1.966 35.092 ( -1.466 0.932 -0.818) 1.920 35.115 ( -0.109 0.686 -2.746) 2.832 35.131 ( 0.387 1.282 -3.261) 3.526 35.199 ( 1.730 0.090 -0.130) 1.737 35.305 ( -5.357 11.799 -1.730) 13.074 35.517 ( -8.120 0.289 2.148) 8.404 35.856 ( 8.365 4.690 1.164) 9.661 35.929 ( 9.823 2.259 -0.796) 10.111 36.150 ( -1.024 -1.188 -1.279) 2.024 36.309 ( -2.190 -4.221 -7.760) 9.101 37.170 ( 9.765 9.155 5.734) 14.562 37.802 ( 5.652 -16.054 -2.071) 17.145 38.161 ( -15.936 1.389 -9.173) 18.440 38.406 ( -9.004 -8.092 -6.962) 13.964 38.786 ( 6.476 3.520 -11.181) 13.392 38.855 ( 5.056 0.329 -10.823) 11.950 39.028 ( -1.359 6.944 -8.570) 11.114 39.172 ( -3.677 -0.289 -9.120) 9.837 ======================= Grid point 82 (33/54) ======================= q-point: ( 0.40 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 0.816 12.505 -0.659) 12.548 2.574 ( -5.752 10.894 -4.991) 13.292 2.942 ( 2.726 -3.420 2.624) 5.101 2.987 ( -2.049 -4.534 -0.145) 4.977 3.140 ( 10.539 6.777 13.830) 18.662 3.196 ( 1.872 0.741 4.870) 5.270 3.210 ( 0.693 1.475 2.410) 2.909 3.258 ( -1.015 -0.390 2.368) 2.606 3.324 ( 1.824 1.410 -0.594) 2.381 3.366 ( -1.414 1.517 1.135) 2.364 3.410 ( 1.309 -0.924 1.057) 1.920 3.486 ( -4.703 -3.003 1.080) 5.684 3.814 ( 3.802 4.502 7.556) 9.582 3.967 ( -9.392 1.160 10.113) 13.850 4.124 ( 5.310 5.951 6.077) 10.027 4.160 ( 1.009 6.809 -2.551) 7.340 4.453 ( 6.270 7.018 0.341) 9.417 4.557 ( -5.782 -12.922 2.457) 14.368 4.630 ( 4.800 -3.846 4.953) 7.897 4.759 ( 2.000 -2.597 -0.769) 3.367 4.970 ( -1.471 -8.673 11.182) 14.227 5.012 ( -7.966 10.247 8.122) 15.311 5.563 ( 15.559 -13.270 10.530) 23.001 5.918 ( -11.060 -15.613 12.115) 22.647 6.124 ( 4.393 5.801 16.095) 17.664 6.249 ( 12.410 0.012 2.268) 12.616 6.460 ( 0.548 6.021 10.843) 12.415 6.627 ( 36.704 3.497 29.738) 47.368 6.912 ( 23.612 8.847 20.836) 32.710 6.958 ( -8.227 -5.397 22.899) 24.924 7.331 ( 3.759 12.916 7.256) 15.284 7.374 ( 5.593 6.969 20.216) 22.103 7.548 ( -8.830 6.800 22.021) 24.681 7.702 ( -34.229 8.518 23.843) 42.576 7.745 ( -1.408 6.595 25.090) 25.980 8.163 ( -25.917 -7.552 16.284) 31.526 8.205 ( 7.614 -5.485 6.121) 11.203 8.513 ( -11.991 5.694 -0.110) 13.275 8.661 ( 6.541 -16.996 2.778) 18.422 8.908 ( -5.783 -6.961 -4.553) 10.130 8.975 ( -2.153 -2.795 -1.768) 3.946 9.019 ( -4.903 -2.801 -1.910) 5.961 9.382 ( -3.943 -16.233 -9.805) 19.370 9.447 ( -9.849 -14.323 -3.892) 17.812 9.716 ( 6.687 2.455 1.917) 7.377 9.958 ( -14.335 8.838 -2.759) 17.065 10.231 ( 14.796 -6.999 -0.100) 16.369 10.591 ( -15.527 -8.216 -2.017) 17.682 10.770 ( 1.130 8.336 -1.563) 8.556 10.810 ( -1.979 16.664 -0.633) 16.793 11.300 ( 2.211 -9.066 3.992) 10.150 11.352 ( -0.913 -3.223 -2.134) 3.971 11.593 ( 7.882 -0.757 -10.800) 13.392 11.652 ( 3.741 -6.943 -13.407) 15.555 11.867 ( 5.905 -6.913 -12.246) 15.251 12.051 ( -11.067 -10.846 -8.914) 17.877 12.197 ( 11.652 15.917 3.489) 20.033 12.380 ( -3.875 19.185 7.303) 20.890 12.508 ( 10.015 9.500 -11.547) 17.996 12.694 ( -1.336 -3.162 -10.780) 11.313 12.833 ( 12.853 -1.282 -3.935) 13.503 12.863 ( 1.787 -0.291 -1.211) 2.178 13.017 ( -4.822 -2.797 -2.855) 6.263 13.052 ( -6.164 -3.485 -2.203) 7.415 13.163 ( 1.405 12.867 -3.852) 13.505 13.263 ( 15.328 5.968 -10.573) 19.554 13.347 ( -8.857 7.761 -3.497) 12.284 13.535 ( 4.166 -1.488 -11.549) 12.368 13.646 ( -2.116 -0.420 -11.596) 11.795 13.665 ( -13.301 3.865 -7.870) 15.931 13.959 ( 2.528 -2.822 -17.311) 17.721 14.007 ( -2.086 -8.910 -11.281) 14.526 14.253 ( 4.891 -5.507 7.170) 10.278 14.364 ( -5.869 -5.056 5.394) 9.439 14.525 ( 0.293 -4.642 -0.540) 4.683 14.566 ( -3.561 -4.885 0.414) 6.059 15.940 ( 8.706 7.512 3.718) 12.085 16.033 ( -0.671 9.763 -2.232) 10.037 16.279 ( 15.024 12.772 6.206) 20.672 16.455 ( -0.121 -2.642 -6.669) 7.174 16.520 ( 14.207 -10.218 -0.063) 17.500 16.698 ( 7.976 -4.450 0.715) 9.161 16.923 ( -19.123 -3.183 14.181) 24.020 17.055 ( -19.472 -5.147 3.153) 20.386 18.457 ( 7.778 8.202 -25.031) 27.465 18.580 ( -2.965 7.218 -14.612) 16.565 18.767 ( 8.520 -1.585 -16.006) 18.202 18.960 ( -9.101 -4.138 -6.975) 12.191 19.864 ( 21.122 -2.891 -0.402) 21.323 19.936 ( 11.782 -3.272 1.926) 12.379 20.236 ( -15.155 -2.412 3.773) 15.803 20.332 ( -21.783 -6.535 -0.954) 22.762 21.461 ( 6.858 21.918 -2.859) 23.143 21.678 ( -12.567 19.514 -2.517) 23.346 22.374 ( 9.331 -7.708 0.765) 12.127 22.572 ( -9.231 -10.080 2.361) 13.870 22.881 ( 10.594 -1.793 5.467) 12.056 23.002 ( 0.805 -15.173 3.653) 15.627 23.139 ( -1.707 -12.956 3.817) 13.614 23.173 ( -5.213 -9.846 2.547) 11.428 24.405 ( 6.586 16.165 9.082) 19.677 24.506 ( -1.920 13.513 5.339) 14.656 24.826 ( 0.710 -1.194 13.447) 13.518 24.896 ( -5.738 -0.796 10.114) 11.655 25.092 ( -0.079 6.681 7.816) 10.282 25.118 ( -3.470 3.681 9.417) 10.689 25.358 ( 3.296 3.541 8.672) 9.930 25.418 ( -1.439 -0.321 8.037) 8.171 25.528 ( 2.233 -3.173 5.781) 6.963 25.562 ( -1.762 -0.827 7.102) 7.364 25.707 ( 6.181 -9.917 5.899) 13.090 25.866 ( -8.408 -9.103 7.646) 14.561 26.176 ( 8.834 8.013 -12.490) 17.270 26.332 ( -5.113 8.308 -11.730) 15.256 26.563 ( 6.561 -6.590 -15.562) 18.129 26.734 ( -9.051 -7.321 -13.501) 17.827 27.918 ( 12.562 1.790 8.779) 15.430 28.002 ( 10.627 -1.720 10.421) 14.983 28.145 ( -1.836 5.184 9.418) 10.906 28.248 ( -10.328 -2.048 9.627) 14.267 28.291 ( 4.380 9.390 6.335) 12.145 28.553 ( -12.996 14.409 4.035) 19.819 29.066 ( 14.157 -18.104 -5.942) 23.738 29.321 ( -9.753 -16.521 -7.781) 20.703 35.002 ( 1.738 2.714 1.019) 3.381 35.045 ( -2.159 2.239 -1.237) 3.348 35.093 ( 1.256 -1.360 1.032) 2.120 35.111 ( -0.523 -0.912 -1.533) 1.859 35.146 ( 1.477 4.458 -2.765) 5.450 35.192 ( -2.839 7.200 -1.195) 7.831 35.278 ( 3.328 0.162 2.075) 3.926 35.374 ( -5.936 -0.163 2.803) 6.567 36.011 ( 6.338 4.147 -0.933) 7.632 36.105 ( 0.315 1.381 -2.216) 2.630 36.114 ( 4.155 0.599 -1.819) 4.575 36.239 ( -4.789 -2.192 -5.504) 7.618 37.443 ( 16.441 6.516 1.123) 17.721 37.804 ( -18.427 4.169 -3.927) 19.297 37.965 ( 10.083 -14.036 -4.156) 17.775 38.190 ( -11.564 -11.017 -6.096) 17.095 38.900 ( 4.770 3.553 -10.744) 12.280 38.963 ( 4.736 0.760 -8.448) 9.714 38.983 ( -2.339 4.514 -10.205) 11.402 39.077 ( -5.373 0.149 -8.573) 10.118 ======================= Grid point 85 (34/54) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 0.000 -0.038 7.415) 7.415 2.843 ( 0.000 0.038 7.415) 7.415 2.908 ( 0.000 -1.817 2.664) 3.225 2.908 ( 0.000 1.817 2.664) 3.225 3.031 ( 0.000 -2.294 -1.198) 2.588 3.031 ( 0.000 2.294 -1.198) 2.588 3.200 ( 0.000 -1.732 0.620) 1.840 3.200 ( 0.000 1.732 0.620) 1.840 3.395 ( 0.000 -1.046 1.755) 2.043 3.395 ( 0.000 1.046 1.755) 2.043 3.493 ( 0.000 -4.279 0.435) 4.301 3.493 ( 0.000 4.279 0.435) 4.301 3.968 ( 0.000 -13.768 33.756) 36.455 3.968 ( 0.000 13.768 33.756) 36.455 4.239 ( 0.000 -22.809 3.361) 23.055 4.239 ( 0.000 22.809 3.362) 23.055 4.255 ( 0.000 -0.062 1.341) 1.342 4.255 ( 0.000 0.061 1.341) 1.342 4.627 ( 0.000 -7.371 -0.550) 7.391 4.627 ( 0.000 7.371 -0.550) 7.391 4.766 ( 0.000 -8.395 -5.612) 10.098 4.766 ( 0.000 8.395 -5.612) 10.098 5.602 ( 0.000 -30.378 9.417) 31.804 5.602 ( 0.000 30.378 9.417) 31.804 5.874 ( 0.000 -5.163 22.082) 22.678 5.874 ( 0.000 5.163 22.082) 22.678 6.274 ( 0.000 -18.269 38.654) 42.753 6.274 ( 0.000 18.269 38.654) 42.753 6.661 ( 0.000 -0.603 -4.838) 4.876 6.661 ( 0.000 0.603 -4.838) 4.876 7.451 ( 0.000 -1.450 8.128) 8.257 7.451 ( 0.000 1.450 8.128) 8.257 7.870 ( 0.000 -16.480 20.395) 26.221 7.870 ( 0.000 16.480 20.395) 26.221 8.286 ( 0.000 -7.136 18.697) 20.012 8.286 ( 0.000 7.136 18.697) 20.012 8.562 ( 0.000 -7.043 -0.515) 7.062 8.562 ( 0.000 7.043 -0.515) 7.062 8.730 ( 0.000 -18.143 -5.435) 18.939 8.730 ( 0.000 18.143 -5.435) 18.939 8.969 ( 0.000 -9.688 -1.748) 9.844 8.969 ( 0.000 9.688 -1.748) 9.844 9.933 ( 0.000 -3.440 6.361) 7.232 9.933 ( 0.000 3.440 6.361) 7.232 10.021 ( 0.000 -2.516 7.244) 7.669 10.021 ( 0.000 2.516 7.244) 7.669 10.530 ( 0.000 -4.512 -1.839) 4.873 10.530 ( 0.000 4.512 -1.839) 4.873 11.150 ( 0.000 -4.946 -5.975) 7.757 11.150 ( 0.000 4.946 -5.975) 7.757 11.239 ( 0.000 -0.327 1.629) 1.661 11.239 ( 0.000 0.327 1.629) 1.661 11.319 ( 0.000 -1.020 -4.655) 4.766 11.319 ( 0.000 1.020 -4.655) 4.766 11.766 ( 0.000 -4.419 -18.949) 19.458 11.766 ( 0.000 4.419 -18.949) 19.458 12.050 ( 0.000 -7.392 0.044) 7.392 12.050 ( 0.000 7.392 0.044) 7.392 12.473 ( 0.000 -0.190 -1.811) 1.821 12.473 ( 0.000 0.190 -1.811) 1.821 12.800 ( 0.000 -1.384 -13.739) 13.809 12.800 ( 0.000 1.384 -13.739) 13.809 12.862 ( 0.000 -6.571 -0.738) 6.612 12.862 ( 0.000 6.571 -0.738) 6.612 13.267 ( 0.000 -0.189 -4.478) 4.482 13.267 ( 0.000 0.189 -4.478) 4.482 13.644 ( 0.000 -3.379 -6.891) 7.675 13.644 ( 0.000 3.379 -6.891) 7.675 13.772 ( 0.000 -0.132 -5.679) 5.680 13.772 ( 0.000 0.132 -5.679) 5.680 13.882 ( 0.000 -5.150 -17.119) 17.877 13.882 ( 0.000 5.150 -17.119) 17.877 14.353 ( 0.000 -9.336 -0.160) 9.337 14.353 ( 0.000 9.336 -0.160) 9.337 14.695 ( 0.000 -1.516 0.948) 1.788 14.695 ( 0.000 1.516 0.948) 1.788 15.603 ( 0.000 -1.286 19.527) 19.569 15.603 ( 0.000 1.286 19.527) 19.569 16.236 ( 0.000 -9.160 -11.656) 14.824 16.236 ( 0.000 9.160 -11.656) 14.824 16.406 ( 0.000 -5.680 -6.788) 8.850 16.406 ( 0.000 5.680 -6.788) 8.850 17.482 ( 0.000 -3.124 6.157) 6.904 17.482 ( 0.000 3.124 6.157) 6.904 18.510 ( 0.000 -6.958 -26.122) 27.032 18.510 ( 0.000 6.958 -26.122) 27.032 18.710 ( 0.000 -13.299 17.133) 21.689 18.710 ( 0.000 13.299 17.133) 21.689 19.656 ( 0.000 -8.209 -9.239) 12.359 19.656 ( 0.000 8.209 -9.239) 12.359 20.627 ( 0.000 -11.511 -8.216) 14.142 20.627 ( 0.000 11.511 -8.216) 14.142 22.125 ( 0.000 -12.920 2.193) 13.105 22.125 ( 0.000 12.920 2.193) 13.105 22.275 ( 0.000 -11.544 6.028) 13.024 22.275 ( 0.000 11.544 6.028) 13.024 22.503 ( 0.000 -13.324 3.865) 13.873 22.503 ( 0.000 13.324 3.865) 13.873 23.195 ( 0.000 -7.190 1.075) 7.270 23.195 ( 0.000 7.190 1.075) 7.270 24.497 ( 0.000 -5.651 11.706) 12.999 24.497 ( 0.000 5.651 11.706) 12.999 25.125 ( 0.000 -0.858 3.942) 4.035 25.125 ( 0.000 0.858 3.942) 4.035 25.210 ( 0.000 -17.317 6.160) 18.380 25.210 ( 0.000 17.317 6.160) 18.380 25.332 ( 0.000 -0.134 4.045) 4.047 25.332 ( 0.000 0.134 4.045) 4.047 25.367 ( 0.000 -3.462 3.896) 5.212 25.367 ( 0.000 3.462 3.896) 5.212 25.786 ( 0.000 -7.887 0.940) 7.943 25.786 ( 0.000 7.887 0.940) 7.943 26.078 ( 0.000 -0.977 0.585) 1.139 26.078 ( 0.000 0.977 0.585) 1.139 26.853 ( 0.000 -8.277 -13.677) 15.987 26.853 ( 0.000 8.277 -13.677) 15.987 27.746 ( 0.000 -6.106 14.873) 16.078 27.746 ( 0.000 6.106 14.873) 16.078 28.032 ( 0.000 -7.925 10.966) 13.530 28.032 ( 0.000 7.925 10.966) 13.530 28.552 ( 0.000 -4.176 8.873) 9.806 28.552 ( 0.000 4.176 8.873) 9.806 29.182 ( 0.000 -13.334 -5.862) 14.566 29.182 ( 0.000 13.334 -5.862) 14.566 35.012 ( 0.000 -1.645 3.612) 3.969 35.012 ( 0.000 1.645 3.612) 3.969 35.123 ( 0.000 -0.271 -1.930) 1.949 35.123 ( 0.000 0.271 -1.930) 1.949 35.154 ( 0.000 -1.772 -2.779) 3.296 35.154 ( 0.000 1.772 -2.779) 3.296 35.612 ( 0.000 -4.930 -1.895) 5.282 35.612 ( 0.000 4.930 -1.895) 5.282 35.824 ( 0.000 -0.828 -1.624) 1.823 35.824 ( 0.000 0.828 -1.624) 1.823 36.187 ( 0.000 -6.916 -4.360) 8.176 36.187 ( 0.000 6.916 -4.360) 8.176 37.369 ( 0.000 -18.111 2.535) 18.288 37.369 ( 0.000 18.111 2.535) 18.288 38.386 ( 0.000 -4.280 -10.159) 11.024 38.386 ( 0.000 4.280 -10.159) 11.024 38.771 ( 0.000 -2.513 -11.963) 12.224 38.771 ( 0.000 2.513 -11.963) 12.224 39.171 ( 0.000 -4.090 -8.158) 9.126 39.171 ( 0.000 4.090 -8.158) 9.126 ======================= Grid point 87 (35/54) ======================= q-point: ( 0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -2.571 -9.290 4.393) 10.593 2.794 ( -2.571 9.290 4.393) 10.593 2.900 ( -2.762 -8.251 -1.179) 8.780 2.900 ( -2.762 8.251 -1.179) 8.780 3.084 ( 5.366 -4.404 5.935) 9.133 3.084 ( 5.366 4.405 5.935) 9.133 3.217 ( 1.409 -1.641 0.114) 2.166 3.217 ( 1.409 1.641 0.114) 2.166 3.369 ( -1.129 -1.966 2.200) 3.159 3.369 ( -1.129 1.966 2.200) 3.159 3.478 ( -1.646 -3.678 1.786) 4.407 3.478 ( -1.646 3.678 1.786) 4.407 4.007 ( 3.021 -9.108 20.475) 22.612 4.007 ( 3.021 9.108 20.475) 22.612 4.152 ( -3.216 -16.794 3.880) 17.534 4.152 ( -3.216 16.794 3.880) 17.534 4.343 ( 3.620 -3.117 2.281) 5.294 4.343 ( 3.620 3.117 2.281) 5.294 4.694 ( 3.667 -6.014 -3.005) 7.658 4.694 ( 3.667 6.014 -3.005) 7.658 4.943 ( 9.124 -17.820 7.092) 21.239 4.943 ( 9.124 17.820 7.092) 21.239 5.400 ( -0.248 -22.505 5.739) 23.227 5.400 ( -0.248 22.505 5.739) 23.227 6.160 ( 9.417 -10.224 21.393) 25.512 6.160 ( 9.417 10.224 21.393) 25.512 6.334 ( 8.956 -12.068 33.090) 36.342 6.334 ( 8.956 12.068 33.090) 36.342 6.723 ( 9.042 -4.341 8.242) 12.982 6.723 ( 9.042 4.341 8.242) 12.982 7.386 ( -8.153 -17.515 -8.547) 21.125 7.386 ( -8.153 17.515 -8.547) 21.125 7.817 ( 2.652 -3.499 32.567) 32.862 7.817 ( 2.652 3.499 32.567) 32.862 8.198 ( -7.925 -9.174 17.270) 21.100 8.198 ( -7.925 9.174 17.270) 21.100 8.542 ( -10.566 -15.517 3.098) 19.027 8.542 ( -10.566 15.517 3.098) 19.027 8.777 ( 1.564 -6.604 -1.790) 7.018 8.777 ( 1.564 6.604 -1.790) 7.018 8.961 ( 1.432 -7.544 -4.316) 8.809 8.961 ( 1.432 7.544 -4.316) 8.809 9.620 ( -23.385 -6.482 -1.762) 24.331 9.620 ( -23.385 6.482 -1.762) 24.331 9.887 ( -8.575 -8.289 9.921) 15.513 9.887 ( -8.575 8.289 9.921) 15.513 10.498 ( -6.008 -11.326 -1.884) 12.959 10.498 ( -6.008 11.326 -1.884) 12.959 10.993 ( -6.117 -10.598 -0.714) 12.258 10.993 ( -6.117 10.598 -0.714) 12.258 11.275 ( 2.521 -6.438 -1.202) 7.018 11.275 ( 2.521 6.438 -1.202) 7.018 11.447 ( 7.421 -1.738 -12.704) 14.815 11.447 ( 7.421 1.738 -12.704) 14.815 11.864 ( 3.155 -18.244 -12.201) 22.174 11.864 ( 3.155 18.244 -12.201) 22.174 12.193 ( 11.039 -11.446 -1.881) 16.013 12.193 ( 11.039 11.446 -1.881) 16.013 12.491 ( 7.440 -6.790 -4.586) 11.068 12.491 ( 7.440 6.790 -4.586) 11.068 12.877 ( 1.345 -11.613 0.208) 11.693 12.877 ( 1.345 11.613 0.208) 11.693 12.950 ( 8.756 -11.895 -6.941) 16.319 12.950 ( 8.756 11.895 -6.941) 16.319 13.223 ( -2.532 -1.868 -6.580) 7.294 13.223 ( -2.532 1.868 -6.580) 7.294 13.594 ( -3.633 -10.494 -7.942) 13.653 13.594 ( -3.633 10.494 -7.942) 13.653 13.740 ( -3.105 -10.367 -4.905) 11.881 13.740 ( -3.105 10.367 -4.905) 11.881 13.880 ( -0.795 -2.066 -17.345) 17.485 13.880 ( -0.795 2.066 -17.345) 17.485 14.324 ( -1.712 -10.677 2.376) 11.071 14.324 ( -1.712 10.677 2.376) 11.071 14.596 ( -8.138 -2.595 1.347) 8.647 14.596 ( -8.138 2.595 1.347) 8.647 15.828 ( 18.622 -7.726 14.954) 25.102 15.828 ( 18.622 7.726 14.954) 25.102 16.274 ( 3.200 -11.000 -10.633) 15.630 16.274 ( 3.200 11.000 -10.633) 15.630 16.418 ( 1.622 -7.297 -6.371) 9.822 16.418 ( 1.622 7.297 -6.371) 9.822 17.316 ( -14.937 -2.977 8.391) 17.389 17.316 ( -14.937 2.977 8.391) 17.389 18.530 ( 3.246 -7.353 -25.368) 26.611 18.530 ( 3.246 7.353 -25.368) 26.611 18.800 ( 4.961 -12.904 9.322) 16.674 18.800 ( 4.961 12.904 9.322) 16.674 19.672 ( 3.368 -7.386 -7.083) 10.773 19.672 ( 3.368 7.386 -7.083) 10.773 20.528 ( -10.184 -7.727 -3.634) 13.290 20.528 ( -10.184 7.727 -3.634) 13.290 21.971 ( -5.092 -23.321 1.471) 23.916 21.971 ( -5.092 23.321 1.471) 23.916 22.360 ( -5.835 -25.754 0.393) 26.409 22.360 ( -5.835 25.754 0.393) 26.409 22.583 ( 12.842 -2.697 6.599) 14.688 22.583 ( 12.842 2.697 6.599) 14.688 23.160 ( -3.561 -5.914 1.561) 7.077 23.160 ( -3.561 5.914 1.561) 7.077 24.528 ( 3.239 -5.260 11.935) 13.439 24.528 ( 3.239 5.260 11.935) 13.439 25.055 ( -11.183 -7.795 7.425) 15.522 25.055 ( -11.183 7.795 7.425) 15.522 25.173 ( 3.802 -3.736 5.011) 7.316 25.173 ( 3.802 3.736 5.011) 7.316 25.338 ( 0.404 -4.099 3.767) 5.582 25.338 ( 0.404 4.099 3.767) 5.582 25.418 ( 3.925 -2.774 6.475) 8.064 25.418 ( 3.925 2.774 6.475) 8.064 25.790 ( -2.736 -9.927 7.231) 12.582 25.790 ( -2.736 9.927 7.231) 12.582 26.147 ( 7.787 -6.380 -8.038) 12.882 26.147 ( 7.787 6.380 -8.038) 12.882 26.754 ( -8.411 -8.524 -12.765) 17.503 26.754 ( -8.411 8.524 -12.765) 17.503 27.779 ( 5.233 -4.127 11.844) 13.590 27.779 ( 5.233 4.127 11.844) 13.590 28.212 ( 12.370 -12.984 9.934) 20.501 28.212 ( 12.370 12.984 9.934) 20.501 28.490 ( -4.208 -6.527 7.063) 10.497 28.490 ( -4.208 6.527 7.063) 10.497 29.120 ( -6.236 -16.001 -4.631) 17.787 29.120 ( -6.236 16.001 -4.631) 17.787 35.024 ( 1.124 -2.052 2.834) 3.675 35.024 ( 1.124 2.052 2.834) 3.675 35.108 ( -1.068 -0.788 -1.978) 2.382 35.108 ( -1.068 0.788 -1.978) 2.382 35.177 ( 1.983 -2.079 -2.033) 3.520 35.177 ( 1.983 2.079 -2.033) 3.520 35.485 ( -8.190 -4.422 -0.672) 9.332 35.485 ( -8.190 4.422 -0.672) 9.332 35.956 ( 8.447 -1.816 -2.537) 9.005 35.956 ( 8.447 1.816 -2.537) 9.005 36.185 ( -0.297 -6.127 -3.996) 7.321 36.185 ( -0.297 6.127 -3.996) 7.321 37.445 ( 7.355 -17.062 1.123) 18.614 37.445 ( 7.355 17.062 1.123) 18.614 38.242 ( -12.180 -6.757 -9.014) 16.591 38.242 ( -12.180 6.757 -9.014) 16.591 38.844 ( 5.486 -1.734 -11.023) 12.434 38.844 ( 5.486 1.734 -11.023) 12.434 39.139 ( -2.991 -3.460 -8.115) 9.315 39.139 ( -2.991 3.460 -8.115) 9.315 ======================= Grid point 89 (36/54) ======================= q-point: ( 0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 0.875 -12.541 1.152) 12.624 2.774 ( 0.875 12.541 1.152) 12.624 2.825 ( -3.718 -11.410 -1.055) 12.047 2.825 ( -3.718 11.410 -1.055) 12.047 3.198 ( 4.543 -0.602 6.097) 7.628 3.198 ( 4.543 0.602 6.097) 7.628 3.239 ( 0.208 -0.668 1.056) 1.266 3.239 ( 0.208 0.668 1.056) 1.266 3.376 ( 1.777 -1.939 1.696) 3.129 3.376 ( 1.777 1.939 1.696) 3.129 3.429 ( -2.946 -2.475 2.484) 4.580 3.429 ( -2.946 2.475 2.484) 4.580 4.045 ( 1.809 -9.815 8.809) 13.311 4.045 ( 1.809 9.815 8.809) 13.312 4.104 ( -2.928 -0.589 7.549) 8.118 4.104 ( -2.928 0.589 7.549) 8.118 4.441 ( 6.727 -8.032 4.317) 11.332 4.441 ( 6.727 8.032 4.317) 11.332 4.610 ( -9.421 -10.047 5.342) 14.773 4.610 ( -9.421 10.047 5.342) 14.773 5.156 ( 16.423 -21.044 1.914) 26.762 5.156 ( 16.423 21.044 1.914) 26.762 5.467 ( -7.916 -24.332 7.824) 26.757 5.467 ( -7.916 24.332 7.824) 26.757 6.247 ( 13.089 -3.435 9.032) 16.269 6.247 ( 13.089 3.435 9.032) 16.269 6.575 ( -9.716 -6.288 13.538) 17.811 6.575 ( -9.716 6.288 13.538) 17.811 7.001 ( 32.258 -6.686 34.040) 47.371 7.001 ( 32.258 6.686 34.040) 47.371 7.410 ( 10.566 -7.653 11.009) 17.070 7.410 ( 10.566 7.653 11.009) 17.070 7.763 ( -13.845 -3.784 21.416) 25.781 7.763 ( -13.845 3.784 21.416) 25.781 7.956 ( -32.386 -13.380 15.694) 38.395 7.956 ( -32.386 13.380 15.694) 38.395 8.293 ( 14.614 -15.733 11.788) 24.496 8.293 ( 14.614 15.733 11.788) 24.496 8.688 ( -16.420 -10.976 -1.151) 19.785 8.688 ( -16.420 10.976 -1.151) 19.785 8.977 ( 6.082 -1.455 -4.477) 7.691 8.977 ( 6.082 1.455 -4.477) 7.691 9.213 ( -16.347 -4.743 -9.011) 19.259 9.213 ( -16.347 4.743 -9.011) 19.259 9.923 ( 12.756 -15.283 3.994) 20.304 9.923 ( 12.756 15.283 3.994) 20.304 10.248 ( -16.448 -17.564 -2.485) 24.191 10.248 ( -16.448 17.564 -2.485) 24.191 11.042 ( 8.225 -9.445 2.152) 12.708 11.042 ( 8.225 9.445 2.152) 12.708 11.218 ( -7.173 -8.373 1.535) 11.132 11.218 ( -7.173 8.373 1.535) 11.132 11.627 ( 8.856 -5.397 -17.023) 19.934 11.627 ( 8.856 5.397 -17.023) 19.934 11.789 ( -7.202 -9.908 -15.424) 19.696 11.789 ( -7.202 9.908 -15.424) 19.696 12.489 ( 15.742 -11.014 -1.641) 19.283 12.489 ( 15.742 11.014 -1.641) 19.283 12.687 ( 4.527 -8.755 1.169) 9.925 12.687 ( 4.527 8.755 1.169) 9.925 12.833 ( -2.113 -9.242 -3.888) 10.246 12.833 ( -2.113 9.242 -3.888) 10.246 12.966 ( -7.122 -2.011 -0.112) 7.401 12.966 ( -7.122 2.011 -0.112) 7.401 13.327 ( 11.014 -1.433 -6.911) 13.081 13.327 ( 11.014 1.433 -6.911) 13.081 13.508 ( -6.077 -3.920 -7.942) 10.741 13.508 ( -6.077 3.920 -7.942) 10.741 13.715 ( 2.799 -10.801 -9.506) 14.658 13.715 ( 2.799 10.801 -9.506) 14.658 13.822 ( -5.282 -8.077 -15.116) 17.934 13.822 ( -5.282 8.077 -15.116) 17.934 14.323 ( 2.211 -5.917 3.387) 7.167 14.323 ( 2.211 5.917 3.387) 7.167 14.425 ( -7.572 -2.963 1.773) 8.322 14.425 ( -7.572 2.963 1.773) 8.322 16.183 ( 12.319 -14.960 2.888) 19.593 16.183 ( 12.319 14.960 2.888) 19.593 16.308 ( -1.480 -13.250 -6.498) 14.831 16.308 ( -1.480 13.250 -6.498) 14.831 16.551 ( 14.302 -10.833 0.505) 17.949 16.551 ( 14.302 10.833 0.505) 17.949 16.940 ( -20.809 -5.054 8.672) 23.103 16.940 ( -20.809 5.054 8.672) 23.103 18.647 ( 7.685 -7.983 -20.862) 23.622 18.647 ( 7.685 7.983 -20.862) 23.622 18.796 ( -5.368 -10.398 -8.257) 14.321 18.796 ( -5.368 10.398 -8.257) 14.321 19.865 ( 15.459 -2.812 0.774) 15.731 19.865 ( 15.459 2.812 0.774) 15.731 20.227 ( -18.214 -2.662 2.172) 18.535 20.227 ( -18.214 2.662 2.172) 18.535 21.989 ( 6.156 -26.618 -0.652) 27.328 21.989 ( 6.156 26.618 -0.652) 27.328 22.171 ( -10.540 -25.871 -0.351) 27.938 22.171 ( -10.540 25.871 -0.351) 27.938 22.849 ( 11.761 -1.063 4.391) 12.599 22.849 ( 11.761 1.063 4.391) 12.599 23.046 ( -7.695 -3.371 2.753) 8.841 23.046 ( -7.695 3.371 2.753) 8.841 24.635 ( 7.385 -4.129 12.041) 14.717 24.635 ( 7.385 4.129 12.041) 14.717 24.822 ( -10.833 -4.448 10.786) 15.921 24.822 ( -10.833 4.448 10.786) 15.921 25.266 ( 4.474 -3.415 5.793) 8.077 25.266 ( 4.474 3.415 5.793) 8.077 25.330 ( -1.636 -4.056 5.445) 6.984 25.330 ( -1.636 4.056 5.445) 6.984 25.522 ( 6.418 -6.030 7.570) 11.613 25.522 ( 6.418 6.030 7.570) 11.613 25.670 ( -7.660 -8.999 9.009) 14.860 25.670 ( -7.660 8.999 9.009) 14.860 26.350 ( 10.785 -8.169 -13.142) 18.861 26.350 ( 10.785 8.169 -13.142) 18.861 26.561 ( -10.059 -8.440 -13.319) 18.703 26.561 ( -10.059 8.440 -13.319) 18.703 27.960 ( 11.682 -2.231 9.415) 15.169 27.960 ( 11.682 2.231 9.415) 15.169 28.204 ( -10.831 -2.054 9.533) 14.574 28.204 ( -10.831 2.054 9.533) 14.574 28.632 ( 15.335 -20.600 1.900) 25.751 28.632 ( 15.335 20.600 1.900) 25.751 28.927 ( -12.593 -19.744 -1.741) 23.483 28.927 ( -12.593 19.744 -1.741) 23.483 35.052 ( 1.521 -2.184 0.774) 2.772 35.052 ( 1.521 2.184 0.774) 2.772 35.083 ( -1.418 -1.536 -1.116) 2.370 35.083 ( -1.418 1.536 -1.116) 2.370 35.236 ( 3.887 -3.076 -0.729) 5.010 35.236 ( 3.887 3.076 -0.729) 5.010 35.337 ( -6.178 -4.015 -0.035) 7.368 35.337 ( -6.178 4.015 -0.035) 7.368 36.098 ( 5.168 -2.536 -2.964) 6.475 36.098 ( 5.168 2.536 -2.964) 6.475 36.166 ( -1.841 -4.300 -3.343) 5.749 36.166 ( -1.841 4.300 -3.343) 5.749 37.658 ( 13.226 -14.180 -2.206) 19.515 37.658 ( 13.226 14.180 -2.206) 19.515 37.954 ( -15.259 -10.528 -5.934) 19.465 37.954 ( -15.259 10.528 -5.934) 19.465 38.956 ( 5.400 -1.524 -9.454) 10.994 38.956 ( 5.400 1.524 -9.454) 10.994 39.059 ( -4.682 -2.282 -8.398) 9.882 39.059 ( -4.682 2.282 -8.398) 9.882 ======================= Grid point 100 (37/54) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 0.000 -10.707) 10.707 2.410 ( 0.000 0.000 -9.779) 9.779 2.921 ( 0.000 0.000 7.137) 7.137 3.047 ( 0.000 0.000 -0.646) 0.646 3.140 ( 0.000 0.000 14.034) 14.034 3.143 ( 0.000 0.000 -1.283) 1.283 3.223 ( 0.000 0.000 -2.337) 2.337 3.305 ( 0.000 0.000 6.182) 6.182 3.379 ( 0.000 0.000 1.151) 1.151 3.379 ( 0.000 0.000 -4.415) 4.415 3.384 ( 0.000 0.000 5.897) 5.897 3.560 ( 0.000 0.000 -1.090) 1.090 3.796 ( 0.000 0.000 -7.707) 7.707 3.884 ( 0.000 0.000 10.687) 10.687 3.932 ( 0.000 0.000 -12.122) 12.122 4.301 ( 0.000 0.000 28.580) 28.580 4.435 ( 0.000 0.000 5.813) 5.813 4.556 ( 0.000 0.000 -5.247) 5.247 4.686 ( 0.000 0.000 -1.588) 1.588 4.750 ( 0.000 0.000 7.383) 7.383 5.203 ( 0.000 0.000 10.936) 10.936 5.462 ( 0.000 0.000 17.572) 17.572 5.584 ( 0.000 0.000 14.196) 14.196 5.659 ( 0.000 0.000 0.439) 0.439 5.987 ( 0.000 0.000 3.475) 3.475 6.317 ( 0.000 0.000 10.718) 10.718 6.357 ( 0.000 0.000 -13.917) 13.917 6.620 ( 0.000 0.000 -3.018) 3.018 6.642 ( 0.000 0.000 2.741) 2.741 7.044 ( 0.000 0.000 -3.477) 3.477 7.662 ( 0.000 0.000 37.805) 37.805 7.694 ( 0.000 0.000 -0.388) 0.388 7.749 ( 0.000 0.000 5.588) 5.588 8.096 ( 0.000 0.000 8.348) 8.348 8.554 ( 0.000 0.000 33.504) 33.504 8.637 ( 0.000 0.000 25.622) 25.622 8.700 ( 0.000 0.000 -2.621) 2.621 8.827 ( 0.000 0.000 10.938) 10.938 9.077 ( 0.000 0.000 38.146) 38.146 9.390 ( 0.000 0.000 28.766) 28.766 9.394 ( 0.000 0.000 15.254) 15.254 9.639 ( 0.000 0.000 -3.436) 3.436 9.737 ( 0.000 0.000 0.303) 0.303 9.782 ( 0.000 0.000 -26.412) 26.412 10.051 ( 0.000 0.000 -7.425) 7.425 10.052 ( 0.000 0.000 10.712) 10.712 10.316 ( 0.000 0.000 7.107) 7.107 10.415 ( 0.000 0.000 8.876) 8.876 10.749 ( 0.000 0.000 10.047) 10.047 10.952 ( 0.000 0.000 -17.987) 17.987 10.987 ( 0.000 0.000 1.192) 1.192 11.252 ( 0.000 0.000 -8.437) 8.437 11.561 ( 0.000 0.000 -2.560) 2.560 11.593 ( 0.000 0.000 -3.089) 3.089 11.700 ( 0.000 0.000 -16.356) 16.356 11.709 ( 0.000 0.000 -5.641) 5.641 11.965 ( 0.000 0.000 3.102) 3.102 12.093 ( 0.000 0.000 -2.703) 2.703 12.125 ( 0.000 0.000 -3.735) 3.735 12.136 ( 0.000 0.000 -0.315) 0.315 12.456 ( 0.000 0.000 -20.707) 20.707 12.513 ( 0.000 0.000 -16.631) 16.631 12.798 ( 0.000 0.000 -10.022) 10.022 12.856 ( 0.000 0.000 -11.600) 11.600 13.052 ( 0.000 0.000 -18.082) 18.082 13.061 ( 0.000 0.000 -21.840) 21.840 13.263 ( 0.000 0.000 9.535) 9.535 13.326 ( 0.000 0.000 -0.442) 0.442 13.372 ( 0.000 0.000 -8.809) 8.809 13.972 ( 0.000 0.000 1.250) 1.250 13.995 ( 0.000 0.000 -2.524) 2.524 13.999 ( 0.000 0.000 -8.638) 8.638 14.214 ( 0.000 0.000 2.657) 2.657 14.548 ( 0.000 0.000 -1.802) 1.802 14.598 ( 0.000 0.000 4.369) 4.369 14.715 ( 0.000 0.000 1.844) 1.844 15.452 ( 0.000 0.000 5.188) 5.188 15.943 ( 0.000 0.000 -8.487) 8.487 15.961 ( 0.000 0.000 12.463) 12.463 16.185 ( 0.000 0.000 3.046) 3.046 16.267 ( 0.000 0.000 -12.326) 12.326 16.618 ( 0.000 0.000 5.331) 5.331 17.325 ( 0.000 0.000 -37.792) 37.792 17.933 ( 0.000 0.000 9.909) 9.909 17.984 ( 0.000 0.000 -33.193) 33.193 18.085 ( 0.000 0.000 24.958) 24.958 18.385 ( 0.000 0.000 -3.857) 3.857 19.181 ( 0.000 0.000 -11.336) 11.336 19.473 ( 0.000 0.000 22.718) 22.718 19.845 ( 0.000 0.000 1.000) 1.000 20.220 ( 0.000 0.000 -9.279) 9.279 20.678 ( 0.000 0.000 -17.554) 17.554 21.563 ( 0.000 0.000 6.269) 6.269 21.754 ( 0.000 0.000 1.817) 1.817 22.341 ( 0.000 0.000 12.892) 12.892 22.717 ( 0.000 0.000 11.314) 11.314 22.908 ( 0.000 0.000 -1.936) 1.936 23.355 ( 0.000 0.000 -5.728) 5.728 23.389 ( 0.000 0.000 2.703) 2.703 23.475 ( 0.000 0.000 2.307) 2.307 24.069 ( 0.000 0.000 3.349) 3.349 24.226 ( 0.000 0.000 -2.964) 2.964 24.924 ( 0.000 0.000 11.310) 11.310 25.168 ( 0.000 0.000 4.921) 4.921 25.175 ( 0.000 0.000 4.619) 4.619 25.304 ( 0.000 0.000 2.500) 2.500 25.391 ( 0.000 0.000 -2.272) 2.272 25.523 ( 0.000 0.000 2.569) 2.569 25.527 ( 0.000 0.000 -0.970) 0.970 25.536 ( 0.000 0.000 -12.185) 12.185 25.738 ( 0.000 0.000 10.366) 10.366 25.956 ( 0.000 0.000 5.714) 5.714 26.128 ( 0.000 0.000 -1.483) 1.483 26.160 ( 0.000 0.000 -8.189) 8.189 26.547 ( 0.000 0.000 2.602) 2.602 26.809 ( 0.000 0.000 -9.829) 9.829 27.842 ( 0.000 0.000 11.824) 11.824 27.940 ( 0.000 0.000 10.325) 10.325 28.352 ( 0.000 0.000 15.573) 15.573 28.443 ( 0.000 0.000 10.101) 10.101 28.625 ( 0.000 0.000 6.199) 6.199 28.721 ( 0.000 0.000 0.452) 0.452 28.908 ( 0.000 0.000 -2.506) 2.506 29.337 ( 0.000 0.000 -13.347) 13.347 34.978 ( 0.000 0.000 -0.857) 0.857 34.985 ( 0.000 0.000 -1.728) 1.728 35.049 ( 0.000 0.000 -0.505) 0.505 35.078 ( 0.000 0.000 -1.623) 1.623 35.089 ( 0.000 0.000 -0.865) 0.865 35.150 ( 0.000 0.000 -2.696) 2.696 35.290 ( 0.000 0.000 7.061) 7.061 35.634 ( 0.000 0.000 -3.520) 3.520 35.829 ( 0.000 0.000 7.673) 7.673 35.866 ( 0.000 0.000 7.796) 7.796 36.143 ( 0.000 0.000 -2.571) 2.571 36.220 ( 0.000 0.000 -7.011) 7.011 37.148 ( 0.000 0.000 9.623) 9.623 37.927 ( 0.000 0.000 1.070) 1.070 38.032 ( 0.000 0.000 -19.875) 19.875 38.470 ( 0.000 0.000 -15.531) 15.531 38.514 ( 0.000 0.000 -1.047) 1.047 38.659 ( 0.000 0.000 3.312) 3.312 38.765 ( 0.000 0.000 -7.834) 7.834 39.024 ( 0.000 0.000 -8.919) 8.919 ======================= Grid point 101 (38/54) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -3.430 0.000 -7.710) 8.438 2.393 ( -2.979 0.000 -7.779) 8.330 2.964 ( 3.659 0.000 4.857) 6.081 3.050 ( 0.051 0.000 -0.565) 0.567 3.141 ( 0.685 0.000 -1.195) 1.378 3.160 ( 2.376 0.000 10.138) 10.412 3.239 ( 1.036 0.000 -3.164) 3.330 3.290 ( -0.378 0.000 6.493) 6.504 3.348 ( -1.914 0.000 -0.395) 1.955 3.385 ( -0.150 0.000 1.523) 1.530 3.411 ( 1.789 0.000 2.515) 3.086 3.545 ( -1.384 0.000 -1.081) 1.756 3.841 ( 4.480 0.000 -7.395) 8.646 3.897 ( 2.106 0.000 10.600) 10.807 3.938 ( 1.942 0.000 -10.374) 10.554 4.222 ( -5.635 0.000 13.256) 14.404 4.331 ( -8.034 0.000 0.080) 8.034 4.689 ( -4.698 0.000 -5.517) 7.246 4.730 ( 16.787 0.000 5.253) 17.590 4.808 ( 5.031 0.000 14.559) 15.404 5.211 ( -14.156 0.000 6.861) 15.731 5.407 ( 5.562 0.000 11.855) 13.094 5.689 ( 28.709 0.000 7.570) 29.690 6.066 ( 16.629 0.000 1.801) 16.726 6.133 ( -9.994 0.000 10.252) 14.317 6.200 ( 17.040 0.000 12.354) 21.048 6.458 ( -0.592 0.000 7.656) 7.679 6.646 ( 3.209 0.000 -3.782) 4.960 6.792 ( 11.630 0.000 3.011) 12.013 6.894 ( -2.091 0.000 -1.855) 2.795 7.278 ( -12.228 0.000 1.640) 12.338 7.610 ( -4.077 0.000 0.954) 4.187 8.095 ( 3.208 0.000 28.904) 29.081 8.146 ( 0.050 0.000 10.801) 10.801 8.573 ( -0.306 0.000 16.878) 16.880 8.655 ( -6.347 0.000 14.599) 15.919 8.699 ( 7.392 0.000 14.493) 16.269 8.758 ( -5.758 0.000 22.004) 22.745 9.037 ( -18.649 0.000 8.915) 20.670 9.085 ( -0.328 0.000 26.711) 26.713 9.271 ( -17.218 0.000 16.444) 23.809 9.564 ( -13.492 0.000 4.374) 14.183 9.681 ( 5.514 0.000 18.292) 19.105 9.757 ( -8.070 0.000 -6.628) 10.442 9.834 ( -11.600 0.000 1.408) 11.685 9.921 ( -3.265 0.000 -4.258) 5.366 10.387 ( -13.106 0.000 14.343) 19.429 10.407 ( -5.994 0.000 -2.834) 6.630 10.791 ( 2.863 0.000 5.183) 5.921 10.833 ( 9.990 0.000 -13.125) 16.495 10.936 ( -0.691 0.000 1.520) 1.670 11.404 ( 5.064 0.000 -23.491) 24.031 11.453 ( -7.373 0.000 -3.966) 8.372 11.658 ( 5.091 0.000 -24.824) 25.341 11.682 ( 3.684 0.000 -7.040) 7.945 11.831 ( -6.935 0.000 -0.321) 6.943 11.899 ( 9.613 0.000 13.074) 16.228 12.104 ( 3.100 0.000 -8.478) 9.027 12.336 ( -8.168 0.000 -11.310) 13.951 12.356 ( 6.939 0.000 -14.817) 16.362 12.418 ( 20.999 0.000 1.623) 21.061 12.530 ( 10.466 0.000 -9.408) 14.073 12.852 ( 5.002 0.000 -6.003) 7.814 12.969 ( -6.352 0.000 -13.015) 14.483 12.993 ( -2.945 0.000 -10.572) 10.974 13.075 ( 14.338 0.000 -14.701) 20.535 13.225 ( -4.504 0.000 5.526) 7.129 13.292 ( -0.528 0.000 -0.499) 0.727 13.459 ( 4.001 0.000 -13.446) 14.029 13.814 ( -9.450 0.000 -1.232) 9.530 13.851 ( -12.654 0.000 -6.549) 14.248 14.018 ( -3.332 0.000 -5.073) 6.069 14.295 ( 5.719 0.000 0.330) 5.729 14.530 ( -1.692 0.000 -1.834) 2.495 14.558 ( -0.751 0.000 6.710) 6.752 14.720 ( -1.012 0.000 3.273) 3.426 15.607 ( 11.707 0.000 0.398) 11.713 15.932 ( -0.969 0.000 -7.363) 7.426 16.039 ( 6.692 0.000 6.434) 9.283 16.265 ( -0.189 0.000 -12.058) 12.060 16.308 ( 12.417 0.000 3.028) 12.781 16.689 ( 7.366 0.000 9.327) 11.885 17.328 ( -2.080 0.000 -28.163) 28.240 17.828 ( -6.102 0.000 0.868) 6.163 17.843 ( -20.565 0.000 25.001) 32.372 18.080 ( 9.234 0.000 -31.127) 32.468 18.341 ( -5.951 0.000 -9.678) 11.362 19.041 ( -13.062 0.000 -13.694) 18.925 19.680 ( 17.556 0.000 19.739) 26.417 19.888 ( 6.213 0.000 5.294) 8.163 20.348 ( 9.295 0.000 -5.829) 10.971 20.631 ( -5.468 0.000 -10.709) 12.024 21.335 ( -16.172 0.000 7.045) 17.640 21.675 ( -9.960 0.000 -1.613) 10.090 22.352 ( 1.828 0.000 8.696) 8.886 22.824 ( 9.094 0.000 9.486) 13.141 22.825 ( -7.826 0.000 -2.838) 8.325 23.308 ( -4.398 0.000 -3.799) 5.812 23.391 ( 1.271 0.000 3.805) 4.012 23.499 ( 0.996 0.000 2.236) 2.447 24.109 ( 3.758 0.000 2.707) 4.631 24.256 ( 2.082 0.000 -3.178) 3.799 24.962 ( 3.506 0.000 11.290) 11.822 25.151 ( -1.279 0.000 6.511) 6.636 25.157 ( -0.125 0.000 6.290) 6.291 25.358 ( 3.996 0.000 2.580) 4.756 25.421 ( -5.496 0.000 2.247) 5.938 25.477 ( 6.488 0.000 -0.746) 6.531 25.595 ( 3.263 0.000 -9.491) 10.036 25.609 ( 3.636 0.000 0.327) 3.651 25.716 ( -0.098 0.000 6.960) 6.960 25.944 ( 0.074 0.000 7.152) 7.152 26.108 ( -4.823 0.000 -8.313) 9.611 26.219 ( 7.580 0.000 -2.791) 8.078 26.420 ( -10.720 0.000 3.105) 11.161 26.757 ( -5.768 0.000 -9.293) 10.937 27.893 ( 5.677 0.000 11.011) 12.389 28.036 ( 8.336 0.000 9.346) 12.524 28.185 ( -3.495 0.000 15.146) 15.544 28.543 ( -7.802 0.000 5.804) 9.725 28.656 ( 1.071 0.000 11.335) 11.386 28.657 ( -6.236 0.000 1.820) 6.497 28.867 ( 4.637 0.000 -7.621) 8.921 29.359 ( 0.333 0.000 -12.197) 12.202 34.965 ( -0.433 0.000 -0.398) 0.588 35.001 ( 0.398 0.000 -2.065) 2.103 35.040 ( -0.373 0.000 -0.509) 0.631 35.078 ( -0.115 0.000 -1.954) 1.957 35.090 ( 0.115 0.000 -0.879) 0.887 35.134 ( -1.299 0.000 -2.048) 2.425 35.315 ( 2.362 0.000 6.833) 7.229 35.561 ( -5.087 0.000 1.156) 5.217 35.916 ( 4.441 0.000 6.437) 7.820 35.925 ( 7.044 0.000 2.822) 7.589 36.140 ( -0.551 0.000 -1.170) 1.293 36.208 ( -1.349 0.000 -6.200) 6.345 37.211 ( 6.218 0.000 6.615) 9.079 37.908 ( -10.707 0.000 -14.849) 18.306 37.960 ( 3.341 0.000 -0.049) 3.341 38.377 ( -7.346 0.000 -10.406) 12.738 38.575 ( 4.624 0.000 -4.259) 6.286 38.725 ( 4.797 0.000 -1.503) 5.027 38.757 ( -0.868 0.000 -7.905) 7.953 38.995 ( -2.816 0.000 -8.251) 8.719 ======================= Grid point 102 (39/54) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -1.098 0.000 -4.252) 4.391 2.315 ( -3.539 0.000 -5.351) 6.415 3.024 ( 1.742 0.000 2.136) 2.756 3.044 ( -0.552 0.000 0.568) 0.792 3.185 ( 2.966 0.000 -2.285) 3.744 3.231 ( 3.949 0.000 3.412) 5.219 3.233 ( -1.542 0.000 -2.117) 2.619 3.301 ( -2.854 0.000 0.327) 2.873 3.319 ( 2.446 0.000 4.037) 4.720 3.364 ( -1.797 0.000 2.354) 2.961 3.457 ( 2.578 0.000 1.413) 2.940 3.507 ( -2.255 0.000 -0.515) 2.313 3.952 ( 5.774 0.000 -4.911) 7.580 3.994 ( 7.440 0.000 9.321) 11.926 4.044 ( 2.611 0.000 -3.263) 4.179 4.135 ( 3.688 0.000 -7.146) 8.042 4.166 ( -8.531 0.000 3.605) 9.261 4.427 ( -17.681 0.000 -10.431) 20.529 4.933 ( 7.959 0.000 16.560) 18.373 5.077 ( -4.682 0.000 13.098) 13.910 5.121 ( 19.395 0.000 9.929) 21.789 5.421 ( -6.855 0.000 16.457) 17.828 5.897 ( 1.664 0.000 -1.378) 2.160 6.122 ( -14.101 0.000 12.813) 19.053 6.159 ( 4.771 0.000 -1.915) 5.141 6.357 ( -11.392 0.000 -4.090) 12.104 6.601 ( 30.730 0.000 13.932) 33.741 6.842 ( 14.717 0.000 -3.246) 15.071 7.071 ( -7.643 0.000 -5.522) 9.429 7.117 ( 39.441 0.000 16.752) 42.852 7.442 ( 34.087 0.000 3.731) 34.290 7.598 ( -28.694 0.000 24.251) 37.570 7.890 ( 16.656 0.000 -5.952) 17.687 7.896 ( -27.194 0.000 11.303) 29.450 8.155 ( -33.270 0.000 9.305) 34.546 8.488 ( -31.463 0.000 -5.530) 31.946 8.644 ( 1.417 0.000 29.929) 29.962 8.673 ( -2.333 0.000 30.895) 30.983 9.007 ( 10.419 0.000 21.765) 24.131 9.077 ( -0.420 0.000 25.995) 25.999 9.113 ( 4.934 0.000 16.399) 17.125 9.287 ( -12.149 0.000 12.167) 17.194 9.641 ( 0.865 0.000 3.246) 3.359 9.796 ( -3.117 0.000 9.004) 9.528 9.830 ( 0.757 0.000 4.821) 4.880 9.860 ( 12.381 0.000 -2.251) 12.584 10.014 ( -15.396 0.000 13.838) 20.701 10.171 ( -15.524 0.000 -5.910) 16.611 10.856 ( 3.705 0.000 0.300) 3.718 10.924 ( -2.246 0.000 0.770) 2.374 11.161 ( 15.458 0.000 -13.415) 20.468 11.384 ( -6.370 0.000 -19.112) 20.145 11.389 ( 2.192 0.000 -8.359) 8.641 11.527 ( -10.358 0.000 -8.730) 13.546 11.865 ( 13.246 0.000 -29.451) 32.292 11.940 ( 10.404 0.000 -2.782) 10.770 12.041 ( 1.531 0.000 -2.670) 3.078 12.153 ( -10.016 0.000 -4.795) 11.104 12.187 ( 2.430 0.000 -5.082) 5.633 12.243 ( -7.919 0.000 -11.203) 13.719 12.783 ( 11.288 0.000 2.858) 11.644 12.850 ( 6.948 0.000 -1.927) 7.210 12.902 ( -2.575 0.000 -3.329) 4.209 12.956 ( 2.915 0.000 -5.748) 6.445 13.051 ( 11.882 0.000 -0.213) 11.883 13.148 ( 7.227 0.000 1.531) 7.388 13.254 ( -2.712 0.000 -7.155) 7.651 13.337 ( 6.115 0.000 -8.535) 10.500 13.454 ( -5.487 0.000 -7.812) 9.546 13.519 ( -19.542 0.000 -5.139) 20.207 13.709 ( 3.389 0.000 -11.693) 12.174 13.876 ( -9.419 0.000 -10.121) 13.825 14.404 ( 4.768 0.000 -0.948) 4.861 14.483 ( -3.005 0.000 -1.622) 3.414 14.593 ( 3.392 0.000 6.796) 7.596 14.669 ( -3.617 0.000 4.910) 6.098 15.804 ( 6.943 0.000 -4.024) 8.024 15.898 ( -2.745 0.000 -5.822) 6.436 16.174 ( 5.561 0.000 -5.651) 7.929 16.249 ( -1.904 0.000 -11.164) 11.325 16.675 ( 22.110 0.000 2.016) 22.202 16.939 ( 17.519 0.000 18.801) 25.698 17.112 ( -18.684 0.000 -3.756) 19.057 17.372 ( -23.896 0.000 23.877) 33.781 17.869 ( 10.028 0.000 -20.337) 22.675 18.131 ( -13.526 0.000 -18.973) 23.301 18.344 ( 16.309 0.000 -25.925) 30.628 18.707 ( -18.449 0.000 -19.560) 26.888 20.076 ( 19.747 0.000 13.147) 23.723 20.119 ( 15.431 0.000 10.787) 18.827 20.404 ( -8.003 0.000 6.916) 10.577 20.430 ( -14.311 0.000 2.568) 14.539 21.154 ( 3.275 0.000 -1.615) 3.652 21.392 ( -15.788 0.000 -4.411) 16.393 22.442 ( 7.224 0.000 1.202) 7.323 22.628 ( -10.408 0.000 -2.719) 10.757 23.021 ( 9.341 0.000 5.040) 10.614 23.188 ( -7.161 0.000 0.321) 7.168 23.440 ( 3.022 0.000 3.947) 4.971 23.492 ( -1.691 0.000 3.017) 3.458 24.203 ( 4.774 0.000 0.548) 4.805 24.270 ( -1.329 0.000 -2.182) 2.555 25.049 ( 4.525 0.000 10.952) 11.850 25.121 ( -2.265 0.000 9.394) 9.663 25.188 ( 3.427 0.000 8.241) 8.925 25.293 ( -6.437 0.000 6.854) 9.403 25.448 ( 4.850 0.000 3.605) 6.043 25.552 ( -5.098 0.000 3.810) 6.364 25.609 ( 5.168 0.000 -0.300) 5.177 25.657 ( 0.466 0.000 0.384) 0.604 25.824 ( 7.980 0.000 -7.805) 11.163 25.982 ( -7.298 0.000 -8.822) 11.449 25.996 ( 5.665 0.000 8.055) 9.847 26.176 ( -11.377 0.000 7.512) 13.634 26.402 ( 9.367 0.000 -7.785) 12.180 26.594 ( -9.296 0.000 -8.390) 12.522 28.073 ( 11.483 0.000 9.028) 14.607 28.237 ( 9.408 0.000 8.594) 12.742 28.247 ( 8.476 0.000 10.978) 13.869 28.337 ( -10.256 0.000 4.987) 11.404 28.472 ( -12.381 0.000 7.552) 14.502 28.481 ( -10.623 0.000 4.133) 11.398 29.100 ( 12.313 0.000 -7.153) 14.240 29.299 ( -6.644 0.000 -10.086) 12.078 34.966 ( 0.610 0.000 -0.192) 0.639 34.987 ( -1.280 0.000 -0.726) 1.471 35.051 ( 1.058 0.000 -1.997) 2.260 35.070 ( -0.719 0.000 -2.317) 2.426 35.095 ( 0.414 0.000 -0.953) 1.039 35.109 ( -0.984 0.000 -1.270) 1.607 35.379 ( 3.755 0.000 6.035) 7.108 35.462 ( -4.494 0.000 4.366) 6.266 36.019 ( 5.152 0.000 4.126) 6.601 36.063 ( 6.061 0.000 -1.097) 6.159 36.106 ( -3.068 0.000 1.661) 3.489 36.160 ( -3.468 0.000 -4.057) 5.337 37.394 ( 11.514 0.000 -0.309) 11.519 37.654 ( -13.441 0.000 -7.685) 15.483 38.061 ( 6.478 0.000 -2.894) 7.095 38.214 ( -8.226 0.000 -6.389) 10.416 38.664 ( 3.848 0.000 -6.777) 7.793 38.726 ( -2.238 0.000 -7.725) 8.043 38.824 ( 4.864 0.000 -4.550) 6.661 38.919 ( -4.379 0.000 -6.621) 7.938 ======================= Grid point 105 (40/54) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.000 16.019 -7.299) 17.603 2.601 ( 0.000 15.666 -6.097) 16.810 2.945 ( 0.000 1.610 5.639) 5.864 3.033 ( 0.000 -1.279 0.915) 1.572 3.079 ( 0.000 -3.789 1.896) 4.237 3.116 ( 0.000 -3.333 -1.412) 3.620 3.262 ( 0.000 -2.744 2.297) 3.579 3.305 ( 0.000 -2.924 1.506) 3.289 3.338 ( 0.000 5.014 6.503) 8.212 3.402 ( 0.000 2.255 1.080) 2.500 3.442 ( 0.000 3.539 1.889) 4.011 3.548 ( 0.000 -1.247 -0.791) 1.477 3.950 ( 0.000 5.245 -4.293) 6.778 4.016 ( 0.000 18.022 -9.009) 20.148 4.049 ( 0.000 13.417 4.662) 14.204 4.400 ( 0.000 7.894 24.773) 26.000 4.454 ( 0.000 -6.956 2.834) 7.511 4.530 ( 0.000 7.689 3.611) 8.495 4.620 ( 0.000 -4.738 4.537) 6.560 4.716 ( 0.000 -4.295 4.673) 6.347 5.019 ( 0.000 -17.323 9.421) 19.719 5.127 ( 0.000 -17.619 11.957) 21.293 5.427 ( 0.000 -7.341 11.353) 13.520 5.934 ( 0.000 -2.217 -11.118) 11.337 6.151 ( 0.000 25.948 12.592) 28.841 6.257 ( 0.000 -4.221 10.442) 11.262 6.343 ( 0.000 -3.631 -10.850) 11.441 6.491 ( 0.000 -1.521 -2.213) 2.685 6.944 ( 0.000 -14.625 9.688) 17.543 6.994 ( 0.000 14.193 5.573) 15.248 7.327 ( 0.000 -10.279 20.344) 22.793 7.625 ( 0.000 -9.241 1.780) 9.411 7.951 ( 0.000 23.122 -0.527) 23.128 8.240 ( 0.000 10.020 6.634) 12.017 8.520 ( 0.000 -5.519 15.727) 16.667 8.534 ( 0.000 -12.102 12.672) 17.522 8.721 ( 0.000 1.260 30.225) 30.251 8.812 ( 0.000 1.447 18.112) 18.170 8.992 ( 0.000 -4.501 24.175) 24.590 9.171 ( 0.000 -27.824 -3.836) 28.088 9.253 ( 0.000 -10.761 24.950) 27.172 9.373 ( 0.000 -8.964 14.185) 16.780 9.775 ( 0.000 11.963 -0.920) 11.999 10.054 ( 0.000 7.245 5.592) 9.153 10.158 ( 0.000 7.911 10.536) 13.175 10.197 ( 0.000 3.035 4.657) 5.559 10.449 ( 0.000 -2.183 0.542) 2.249 10.499 ( 0.000 21.512 0.104) 21.512 10.751 ( 0.000 -0.550 6.194) 6.218 10.902 ( 0.000 5.835 -9.834) 11.435 11.081 ( 0.000 6.943 -5.521) 8.870 11.103 ( 0.000 -6.740 -10.801) 12.731 11.449 ( 0.000 -5.174 -8.796) 10.204 11.498 ( 0.000 -16.360 -8.665) 18.514 11.645 ( 0.000 -15.461 -2.648) 15.686 11.666 ( 0.000 -11.175 -3.322) 11.658 11.890 ( 0.000 15.693 2.153) 15.840 12.003 ( 0.000 2.885 -8.195) 8.688 12.212 ( 0.000 -4.185 -19.796) 20.234 12.373 ( 0.000 7.868 -9.444) 12.292 12.435 ( 0.000 -0.926 -10.307) 10.348 12.595 ( 0.000 9.732 0.041) 9.732 12.804 ( 0.000 -4.165 -7.875) 8.909 12.857 ( 0.000 4.734 -11.037) 12.010 13.144 ( 0.000 6.708 -18.942) 20.095 13.168 ( 0.000 10.127 -16.419) 19.291 13.278 ( 0.000 0.730 -0.135) 0.742 13.288 ( 0.000 -1.761 -1.222) 2.143 13.431 ( 0.000 5.391 -6.787) 8.667 13.797 ( 0.000 -12.527 -4.654) 13.363 13.868 ( 0.000 -8.814 -1.187) 8.893 13.946 ( 0.000 -8.493 -4.344) 9.539 14.260 ( 0.000 5.181 4.536) 6.886 14.571 ( 0.000 3.588 -1.232) 3.794 14.624 ( 0.000 -2.844 3.204) 4.284 14.735 ( 0.000 0.642 1.762) 1.876 15.604 ( 0.000 15.485 3.526) 15.881 15.896 ( 0.000 0.198 4.559) 4.564 16.065 ( 0.000 5.351 -0.916) 5.429 16.123 ( 0.000 -5.782 3.844) 6.943 16.272 ( 0.000 0.042 -11.139) 11.139 16.469 ( 0.000 -13.628 2.010) 13.776 17.288 ( 0.000 -2.053 -30.829) 30.897 17.596 ( 0.000 -17.477 -15.471) 23.341 18.117 ( 0.000 4.788 10.006) 11.092 18.198 ( 0.000 6.601 -7.984) 10.360 18.601 ( 0.000 16.830 4.435) 17.405 19.177 ( 0.000 -3.920 -5.819) 7.016 19.458 ( 0.000 1.612 16.219) 16.298 19.768 ( 0.000 -7.118 1.630) 7.303 20.295 ( 0.000 6.790 -7.935) 10.443 20.623 ( 0.000 -5.587 -14.093) 15.160 21.744 ( 0.000 17.403 4.919) 18.085 21.904 ( 0.000 14.536 0.851) 14.561 22.388 ( 0.000 4.113 12.991) 13.627 22.648 ( 0.000 -7.281 9.976) 12.350 22.870 ( 0.000 -13.301 3.553) 13.767 23.021 ( 0.000 -29.612 -0.081) 29.612 23.092 ( 0.000 -9.087 -3.720) 9.819 23.301 ( 0.000 -5.898 -4.773) 7.587 24.425 ( 0.000 20.977 6.298) 21.902 24.538 ( 0.000 19.054 1.512) 19.114 24.975 ( 0.000 6.595 9.484) 11.551 25.162 ( 0.000 0.186 4.116) 4.120 25.205 ( 0.000 2.455 3.638) 4.389 25.341 ( 0.000 3.063 2.128) 3.730 25.375 ( 0.000 -1.485 -0.807) 1.690 25.484 ( 0.000 -3.858 -0.253) 3.867 25.490 ( 0.000 -2.726 2.612) 3.775 25.545 ( 0.000 -1.063 -9.263) 9.323 25.747 ( 0.000 -0.593 4.087) 4.129 25.753 ( 0.000 -13.502 0.274) 13.505 26.118 ( 0.000 0.276 1.685) 1.708 26.221 ( 0.000 1.106 0.124) 1.113 26.562 ( 0.000 2.308 -1.176) 2.590 26.761 ( 0.000 -4.425 -9.135) 10.151 27.895 ( 0.000 5.176 12.611) 13.632 28.021 ( 0.000 7.107 10.389) 12.588 28.262 ( 0.000 -7.962 14.422) 16.474 28.382 ( 0.000 -5.753 9.664) 11.247 28.645 ( 0.000 1.754 6.057) 6.306 28.726 ( 0.000 -0.513 2.437) 2.491 28.918 ( 0.000 2.711 -3.568) 4.481 29.242 ( 0.000 -8.467 -11.616) 14.374 34.993 ( 0.000 1.071 -1.206) 1.613 35.016 ( 0.000 1.832 -2.094) 2.782 35.059 ( 0.000 -0.586 -2.445) 2.514 35.069 ( 0.000 0.616 -2.561) 2.634 35.122 ( 0.000 2.461 1.456) 2.860 35.222 ( 0.000 2.407 2.490) 3.463 35.315 ( 0.000 6.658 -0.447) 6.673 35.613 ( 0.000 -2.475 -4.663) 5.279 35.851 ( 0.000 2.112 7.368) 7.664 35.881 ( 0.000 1.309 7.424) 7.538 36.130 ( 0.000 -0.892 -1.496) 1.742 36.194 ( 0.000 -2.630 -5.539) 6.132 37.215 ( 0.000 6.798 7.903) 10.425 37.741 ( 0.000 -14.954 1.305) 15.010 38.052 ( 0.000 1.743 -17.974) 18.059 38.305 ( 0.000 -9.886 -12.964) 16.303 38.597 ( 0.000 2.808 -4.870) 5.622 38.621 ( 0.000 -0.536 -1.059) 1.187 38.912 ( 0.000 8.693 -5.104) 10.080 39.046 ( 0.000 1.261 -7.584) 7.688 ======================= Grid point 106 (41/54) ======================= q-point: ( 0.20 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -3.944 16.429 -3.945) 17.350 2.558 ( -3.611 14.101 -5.223) 15.465 2.971 ( 1.405 -0.817 3.532) 3.888 3.013 ( -1.647 -4.369 -0.538) 4.700 3.107 ( 3.757 -0.791 1.130) 4.002 3.158 ( 2.990 -1.290 -1.562) 3.612 3.256 ( -0.335 -1.862 1.745) 2.573 3.292 ( -1.341 0.210 -1.056) 1.720 3.356 ( 2.194 1.262 8.514) 8.882 3.402 ( 0.140 2.573 1.660) 3.065 3.441 ( -0.360 3.194 1.850) 3.708 3.535 ( -1.339 -1.045 -0.710) 1.841 3.925 ( -1.254 5.757 1.244) 6.022 4.008 ( 1.120 12.400 -5.673) 13.682 4.141 ( 7.196 17.230 -4.621) 19.236 4.304 ( -5.533 7.397 15.462) 18.011 4.338 ( -9.073 0.995 2.726) 9.526 4.596 ( 11.256 -9.721 6.878) 16.386 4.696 ( -0.973 -0.644 -1.621) 1.998 4.735 ( 1.322 -9.764 8.714) 13.153 5.071 ( -3.374 -6.308 9.973) 12.274 5.291 ( 15.965 -8.003 9.495) 20.226 5.660 ( 28.331 -8.572 11.774) 31.855 5.861 ( -13.773 -18.151 1.118) 22.812 6.185 ( -1.416 5.530 1.536) 5.912 6.272 ( 1.905 4.438 6.034) 7.728 6.480 ( 17.036 4.625 6.032) 18.655 6.650 ( 7.960 9.395 1.432) 12.397 6.944 ( 0.980 7.429 5.186) 9.113 7.105 ( 12.188 6.715 10.523) 17.446 7.182 ( 2.362 -10.676 3.680) 11.537 7.438 ( -13.853 -7.641 -3.629) 16.231 8.078 ( 3.081 12.053 11.295) 16.803 8.337 ( 2.783 7.309 11.436) 13.855 8.507 ( -8.685 -10.569 18.616) 23.102 8.536 ( -0.170 -3.679 15.745) 16.170 8.617 ( -4.218 -0.219 12.887) 13.561 8.813 ( -0.678 -1.437 18.037) 18.107 8.952 ( -6.783 -11.175 9.492) 16.155 9.084 ( -6.259 -0.309 25.764) 26.515 9.183 ( 0.252 -21.119 6.078) 21.978 9.295 ( -10.452 -3.082 9.186) 14.252 9.600 ( -18.665 -0.952 16.190) 24.726 9.808 ( -19.525 2.662 8.111) 21.310 9.963 ( -8.414 9.640 14.583) 19.401 10.086 ( -4.284 7.236 2.332) 8.727 10.388 ( -6.360 -0.293 12.226) 13.784 10.699 ( -1.076 2.495 -5.839) 6.440 10.735 ( -1.735 13.250 -5.540) 14.467 10.799 ( 3.688 1.794 2.948) 5.051 11.032 ( 1.443 4.843 -11.809) 12.845 11.259 ( 4.460 -6.274 -11.751) 14.048 11.349 ( -3.691 -9.697 -19.971) 22.505 11.409 ( -4.437 -5.867 -7.282) 10.350 11.474 ( -0.777 -18.764 -2.882) 18.999 11.958 ( 7.906 -7.206 -12.762) 16.652 12.052 ( 10.716 8.522 5.017) 14.582 12.110 ( -0.816 6.706 -19.011) 20.175 12.309 ( 8.564 -3.662 -2.255) 9.583 12.376 ( 11.521 -0.527 -12.154) 16.755 12.539 ( 5.412 13.420 -2.004) 14.608 12.671 ( 12.272 11.622 -0.718) 16.917 12.891 ( 3.496 2.647 -5.451) 6.996 12.997 ( 12.668 -5.648 -10.596) 17.455 13.041 ( -5.728 5.390 -11.652) 14.058 13.137 ( -4.165 10.378 -11.841) 16.287 13.243 ( -0.542 1.279 -1.657) 2.162 13.300 ( -2.289 1.909 -1.966) 3.571 13.471 ( 2.868 1.806 -13.299) 13.724 13.675 ( -7.925 -9.739 -4.312) 13.276 13.821 ( -9.178 -6.296 -4.003) 11.828 13.901 ( -2.448 -9.202 -5.998) 11.253 14.301 ( 3.271 0.625 5.236) 6.206 14.505 ( -4.632 5.414 -1.108) 7.211 14.600 ( -1.778 -4.742 5.006) 7.121 14.694 ( -3.960 -2.581 2.348) 5.278 15.745 ( 10.009 13.239 -1.561) 16.670 15.936 ( 2.396 2.756 -2.653) 4.514 16.118 ( 5.113 5.417 -0.601) 7.473 16.234 ( 9.258 -6.130 2.006) 11.283 16.271 ( 2.841 -0.868 -6.631) 7.266 16.554 ( 8.452 -12.088 5.645) 15.793 17.271 ( -3.446 -3.220 -21.147) 21.666 17.540 ( -7.745 -16.652 -4.675) 18.951 17.990 ( -7.612 9.600 3.010) 12.616 18.183 ( 1.509 4.323 -15.781) 16.432 18.535 ( -7.626 15.182 -4.456) 17.564 19.030 ( -13.595 -3.065 -11.310) 17.948 19.646 ( 16.265 -1.237 16.536) 23.228 19.829 ( 7.452 -5.455 5.827) 10.920 20.380 ( 5.176 2.979 -3.517) 6.931 20.586 ( -4.714 -4.436 -7.461) 9.877 21.537 ( -13.068 19.085 5.176) 23.702 21.852 ( -8.114 16.912 -2.632) 18.941 22.344 ( -1.768 -3.314 8.254) 9.068 22.761 ( 3.595 -6.279 7.386) 10.339 22.804 ( -2.906 -5.797 -0.280) 6.491 23.006 ( 3.027 -26.623 3.330) 27.001 23.161 ( 2.952 -13.265 -1.427) 13.665 23.271 ( -3.002 -6.228 -3.307) 7.664 24.455 ( 2.832 21.174 5.821) 22.142 24.557 ( 1.533 18.755 1.569) 18.883 25.008 ( 2.777 5.394 9.598) 11.355 25.120 ( -3.033 -0.484 5.317) 6.140 25.206 ( 1.055 2.712 5.243) 5.997 25.365 ( -3.641 -2.781 2.072) 5.028 25.411 ( 2.352 2.143 2.832) 4.260 25.448 ( 5.138 -2.840 1.372) 6.028 25.545 ( 2.416 -4.383 0.431) 5.024 25.622 ( 6.022 -1.541 -7.538) 9.770 25.705 ( -1.186 -2.962 3.515) 4.747 25.831 ( 3.529 -3.352 0.683) 4.915 26.142 ( -0.469 -1.246 -2.151) 2.530 26.194 ( 1.122 -1.419 1.980) 2.682 26.446 ( -9.841 3.637 -1.299) 10.572 26.698 ( -6.416 -5.360 -8.462) 11.895 27.932 ( 4.849 3.708 11.690) 13.188 28.133 ( 6.020 2.534 12.037) 13.695 28.143 ( 1.434 2.741 10.799) 11.233 28.554 ( -6.727 0.763 6.300) 9.248 28.599 ( 1.491 -4.027 10.269) 11.131 28.687 ( 3.529 -4.321 -0.162) 5.581 28.828 ( -6.661 3.209 -4.675) 8.748 29.249 ( -0.847 -9.918 -10.356) 14.364 34.992 ( -0.006 1.659 -0.939) 1.906 35.019 ( 0.052 1.460 -2.342) 2.760 35.058 ( -0.006 -0.859 -2.380) 2.531 35.071 ( 0.097 0.577 -2.820) 2.880 35.121 ( 0.155 3.183 1.613) 3.572 35.220 ( -0.934 6.362 -0.197) 6.433 35.307 ( 0.420 1.045 3.470) 3.648 35.541 ( -5.195 -2.276 -0.372) 5.684 35.930 ( 5.385 1.779 5.134) 7.650 35.951 ( 6.214 1.808 3.540) 7.377 36.133 ( -0.004 -0.519 -0.675) 0.851 36.188 ( -0.680 -2.012 -4.751) 5.204 37.270 ( 5.528 6.164 5.302) 9.831 37.776 ( 3.381 -14.546 -0.335) 14.937 37.931 ( -10.240 2.052 -13.546) 17.105 38.225 ( -7.216 -10.824 -11.301) 17.232 38.637 ( 4.388 3.561 -4.363) 7.139 38.701 ( 5.573 -0.266 -4.784) 7.350 38.891 ( -1.994 7.873 -5.156) 9.620 39.014 ( -3.017 1.156 -7.190) 7.882 ======================= Grid point 107 (42/54) ======================= q-point: ( 0.40 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -1.834 15.548 -1.431) 15.721 2.488 ( -2.650 15.331 -3.512) 15.950 2.985 ( 0.177 -4.666 1.667) 4.958 2.990 ( -0.556 -5.633 0.399) 5.675 3.189 ( 3.317 0.534 -1.869) 3.844 3.213 ( 1.626 -0.257 -2.105) 2.673 3.253 ( -0.136 -1.120 0.398) 1.197 3.265 ( -1.247 -0.055 -1.707) 2.115 3.395 ( 1.157 3.107 4.370) 5.486 3.416 ( -0.364 4.100 3.337) 5.299 3.439 ( 2.080 -0.809 1.834) 2.889 3.494 ( -2.565 -1.145 0.045) 2.809 3.955 ( 4.737 4.473 4.639) 7.998 4.045 ( 0.296 8.529 -2.038) 8.775 4.165 ( -5.180 3.565 2.971) 6.954 4.187 ( -3.606 4.549 -0.531) 5.829 4.362 ( 9.176 18.567 -4.245) 21.141 4.545 ( -9.179 5.332 -4.243) 11.432 4.806 ( 8.201 -10.686 8.961) 16.179 4.851 ( 7.280 -12.466 11.725) 18.598 5.137 ( 5.381 -3.525 10.453) 12.273 5.340 ( -12.079 -2.545 18.457) 22.204 5.702 ( 6.556 -19.165 0.248) 20.256 6.026 ( -19.315 -14.033 0.152) 23.875 6.171 ( 11.256 1.954 1.287) 11.496 6.308 ( 8.148 3.856 6.325) 11.012 6.601 ( 7.930 0.966 7.520) 10.971 6.902 ( -2.512 -2.153 -1.637) 3.692 7.177 ( 9.441 11.474 1.497) 14.934 7.267 ( 34.639 11.291 14.614) 39.254 7.546 ( 15.625 0.966 8.228) 17.686 7.600 ( 23.244 5.139 7.426) 24.937 7.844 ( -14.501 4.641 1.282) 15.279 8.015 ( -28.806 9.218 11.155) 32.237 8.313 ( -19.746 8.787 6.201) 22.485 8.471 ( -22.804 -8.389 7.891) 25.548 8.492 ( -2.918 -6.767 9.441) 11.976 8.557 ( -3.750 -5.547 22.704) 23.671 8.960 ( 4.781 -13.225 14.177) 19.969 9.046 ( 2.591 -2.294 16.091) 16.459 9.101 ( -5.355 -1.085 14.265) 15.276 9.168 ( -2.833 -4.862 29.559) 30.090 9.341 ( -1.439 -16.538 15.854) 22.955 9.474 ( -12.710 -11.480 9.141) 19.413 9.899 ( 1.822 8.269 17.313) 19.272 10.001 ( -6.241 7.632 7.812) 12.578 10.296 ( 5.206 7.877 6.221) 11.307 10.542 ( -14.809 8.036 -1.868) 16.952 10.747 ( 4.353 0.571 -1.443) 4.622 10.823 ( -1.933 0.880 2.145) 3.019 11.127 ( 5.504 0.857 -17.545) 18.408 11.232 ( -4.431 -2.326 -13.815) 14.694 11.373 ( 5.272 -5.476 -10.899) 13.288 11.443 ( -0.327 -7.343 -14.219) 16.007 11.542 ( 9.757 -19.699 -14.543) 26.358 11.802 ( -13.911 -19.223 -17.139) 29.271 12.213 ( 6.462 17.215 -12.180) 22.056 12.251 ( 5.908 14.130 -5.954) 16.432 12.455 ( 5.677 8.301 -5.831) 11.625 12.522 ( -1.761 17.761 4.481) 18.402 12.731 ( 13.925 -4.567 -3.499) 15.067 12.866 ( -3.068 2.973 -0.632) 4.319 12.988 ( 2.537 5.293 -4.470) 7.378 13.000 ( -2.108 1.448 -2.469) 3.555 13.130 ( 3.696 1.132 -0.119) 3.867 13.140 ( 12.419 6.922 -1.909) 14.345 13.258 ( 0.340 0.744 -9.202) 9.238 13.316 ( 5.630 -0.851 -9.214) 10.831 13.427 ( -6.661 -2.434 -6.828) 9.845 13.532 ( -15.053 1.130 -7.138) 16.698 13.643 ( 3.182 -5.886 -12.657) 14.317 13.794 ( -7.872 -8.189 -10.310) 15.340 14.372 ( 3.570 -2.594 4.540) 6.331 14.436 ( -2.580 0.177 1.954) 3.241 14.568 ( -0.575 -5.466 4.246) 6.945 14.604 ( -3.896 -5.637 2.999) 7.480 15.900 ( 5.037 9.133 -5.016) 11.573 15.956 ( -0.656 6.361 -5.609) 8.507 16.210 ( 3.117 1.512 -8.733) 9.395 16.246 ( -0.895 -1.468 -11.089) 11.222 16.635 ( 23.018 -2.842 5.399) 23.813 16.818 ( 17.172 -9.666 13.486) 23.879 17.067 ( -16.633 -2.970 -2.852) 17.135 17.228 ( -20.707 -11.165 12.908) 26.834 18.008 ( 9.413 11.814 -16.300) 22.223 18.257 ( -8.591 9.827 -16.858) 21.320 18.376 ( 7.461 1.836 -20.261) 21.669 18.692 ( -18.087 -2.845 -17.966) 25.652 20.021 ( 18.861 -3.248 12.551) 22.887 20.076 ( 15.500 -3.528 10.287) 18.935 20.350 ( -9.946 -3.229 6.226) 12.170 20.400 ( -13.434 -3.334 5.269) 14.811 21.417 ( 3.478 23.239 -1.188) 23.528 21.615 ( -13.142 20.535 -4.052) 24.715 22.384 ( 6.067 -8.929 0.773) 10.823 22.567 ( -11.082 -9.694 -2.509) 14.936 22.975 ( 8.654 -3.534 4.541) 10.393 23.073 ( 1.021 -14.214 3.369) 14.643 23.179 ( -1.030 -12.507 0.188) 12.551 23.197 ( -2.836 -13.308 0.160) 13.607 24.528 ( 3.747 21.366 4.033) 22.063 24.575 ( -0.449 20.117 2.036) 20.225 25.053 ( 1.093 -1.994 9.787) 10.048 25.073 ( -1.461 -2.872 8.136) 8.751 25.238 ( 1.784 3.978 7.025) 8.268 25.280 ( -2.842 1.309 6.827) 7.510 25.490 ( 4.210 2.918 3.648) 6.289 25.540 ( 1.280 -4.053 3.712) 5.643 25.587 ( 2.411 -2.255 0.231) 3.309 25.648 ( -3.318 2.367 0.771) 4.148 25.765 ( 7.123 -7.118 -1.118) 10.132 25.879 ( -1.301 -3.999 -3.937) 5.761 26.088 ( 0.927 3.614 1.923) 4.198 26.223 ( -9.861 5.387 0.852) 11.269 26.334 ( 8.629 -5.941 -6.740) 12.457 26.525 ( -9.618 -6.206 -7.483) 13.675 28.099 ( 11.003 2.278 9.372) 14.632 28.211 ( 8.259 -2.285 10.883) 13.852 28.336 ( -6.635 3.992 9.461) 12.225 28.376 ( 6.669 7.871 2.336) 10.578 28.426 ( -11.357 -2.072 7.972) 14.029 28.610 ( -10.960 10.134 1.576) 15.010 28.960 ( 12.436 -12.747 -4.753) 18.432 29.167 ( -7.448 -11.911 -7.967) 16.150 34.997 ( 0.570 2.016 -1.007) 2.325 35.012 ( -0.709 1.687 -1.784) 2.556 35.061 ( 0.305 -0.844 -2.438) 2.598 35.068 ( -0.337 -0.342 -2.724) 2.766 35.138 ( 1.572 5.201 0.774) 5.488 35.180 ( -2.407 7.281 -0.529) 7.687 35.353 ( 3.577 -2.629 4.746) 6.498 35.438 ( -4.729 -2.612 2.990) 6.174 36.038 ( 4.804 1.870 3.046) 5.988 36.074 ( 4.793 0.970 -0.248) 4.897 36.116 ( -1.689 0.708 1.052) 2.112 36.158 ( -2.483 -0.509 -2.752) 3.741 37.437 ( 10.712 4.711 -0.961) 11.741 37.683 ( -12.777 3.300 -7.854) 15.357 37.887 ( 6.919 -13.935 -3.306) 15.905 38.053 ( -8.937 -12.425 -7.585) 17.082 38.737 ( 4.889 4.863 -5.804) 9.013 38.806 ( 2.040 3.470 -7.226) 8.272 38.844 ( -0.115 3.165 -4.228) 5.283 38.932 ( -4.834 0.744 -6.268) 7.950 ======================= Grid point 110 (43/54) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 0.000 -0.034 -1.716) 1.716 2.861 ( 0.000 0.034 -1.716) 1.716 2.937 ( 0.000 -2.476 -1.503) 2.897 2.937 ( 0.000 2.476 -1.503) 2.897 3.040 ( 0.000 -1.004 1.601) 1.890 3.040 ( 0.000 1.004 1.601) 1.890 3.247 ( 0.000 -1.263 3.199) 3.439 3.247 ( 0.000 1.263 3.199) 3.439 3.417 ( 0.000 -1.700 1.402) 2.203 3.417 ( 0.000 1.700 1.402) 2.203 3.509 ( 0.000 -2.526 1.061) 2.740 3.509 ( 0.000 2.526 1.061) 2.740 4.119 ( 0.000 -9.959 -4.525) 10.939 4.119 ( 0.000 9.959 -4.525) 10.939 4.392 ( 0.000 -12.999 1.519) 13.088 4.392 ( 0.000 12.999 1.519) 13.088 4.542 ( 0.000 -3.200 6.365) 7.124 4.542 ( 0.000 3.200 6.365) 7.124 4.615 ( 0.000 -15.208 13.769) 20.515 4.615 ( 0.000 15.208 13.769) 20.515 4.794 ( 0.000 -15.656 13.459) 20.646 4.794 ( 0.000 15.656 13.459) 20.646 5.626 ( 0.000 -24.482 -6.662) 25.373 5.626 ( 0.000 24.482 -6.662) 25.373 6.207 ( 0.000 -0.981 9.606) 9.656 6.207 ( 0.000 0.981 9.606) 9.656 6.488 ( 0.000 -0.650 -0.243) 0.694 6.488 ( 0.000 0.650 -0.243) 0.694 6.936 ( 0.000 -17.177 16.170) 23.590 6.936 ( 0.000 17.177 16.170) 23.591 7.416 ( 0.000 -10.717 0.021) 10.717 7.416 ( 0.000 10.717 0.021) 10.717 8.351 ( 0.000 -7.757 11.957) 14.253 8.351 ( 0.000 7.757 11.957) 14.253 8.510 ( 0.000 -25.705 -3.044) 25.885 8.510 ( 0.000 25.705 -3.044) 25.885 8.656 ( 0.000 -9.401 5.479) 10.881 8.656 ( 0.000 9.401 5.479) 10.881 8.843 ( 0.000 -8.565 24.976) 26.404 8.843 ( 0.000 8.565 24.976) 26.404 9.212 ( 0.000 -6.309 31.468) 32.094 9.212 ( 0.000 6.309 31.468) 32.094 10.052 ( 0.000 -13.725 4.745) 14.522 10.052 ( 0.000 13.725 4.745) 14.522 10.171 ( 0.000 -3.997 8.657) 9.535 10.171 ( 0.000 3.997 8.657) 9.535 10.545 ( 0.000 -10.199 4.791) 11.268 10.545 ( 0.000 10.199 4.791) 11.268 10.980 ( 0.000 -9.993 -11.898) 15.538 10.980 ( 0.000 9.993 -11.898) 15.538 11.229 ( 0.000 -11.432 -1.862) 11.582 11.229 ( 0.000 11.432 -1.862) 11.582 11.288 ( 0.000 -14.085 -0.307) 14.088 11.288 ( 0.000 14.085 -0.307) 14.088 11.392 ( 0.000 -5.582 -16.583) 17.498 11.392 ( 0.000 5.582 -16.583) 17.498 12.051 ( 0.000 -1.171 -1.589) 1.973 12.051 ( 0.000 1.171 -1.589) 1.973 12.259 ( 0.000 -10.349 -15.427) 18.576 12.259 ( 0.000 10.349 -15.427) 18.576 12.590 ( 0.000 -7.950 -7.160) 10.699 12.590 ( 0.000 7.950 -7.160) 10.699 12.865 ( 0.000 -5.609 -4.376) 7.115 12.865 ( 0.000 5.609 -4.376) 7.115 13.229 ( 0.000 -2.972 -0.425) 3.003 13.229 ( 0.000 2.972 -0.425) 3.003 13.343 ( 0.000 -0.628 -21.409) 21.418 13.343 ( 0.000 0.628 -21.409) 21.418 13.570 ( 0.000 -8.243 -5.447) 9.880 13.570 ( 0.000 8.243 -5.447) 9.880 13.765 ( 0.000 -4.339 -0.931) 4.437 13.765 ( 0.000 4.339 -0.931) 4.437 14.434 ( 0.000 -10.975 5.756) 12.393 14.434 ( 0.000 10.975 5.756) 12.393 14.693 ( 0.000 -4.808 -1.288) 4.977 14.693 ( 0.000 4.808 -1.288) 4.977 15.960 ( 0.000 -1.675 17.336) 17.417 15.960 ( 0.000 1.675 17.336) 17.417 16.013 ( 0.000 -9.183 -10.471) 13.927 16.013 ( 0.000 9.183 -10.471) 13.927 16.258 ( 0.000 -0.282 -6.859) 6.865 16.258 ( 0.000 0.282 -6.859) 6.865 17.328 ( 0.000 -7.500 -22.638) 23.848 17.328 ( 0.000 7.500 -22.638) 23.848 18.225 ( 0.000 -3.485 -1.020) 3.632 18.225 ( 0.000 3.485 -1.020) 3.632 18.954 ( 0.000 -16.115 5.360) 16.983 18.954 ( 0.000 16.115 5.360) 16.983 19.590 ( 0.000 -9.301 4.174) 10.194 19.590 ( 0.000 9.301 4.174) 10.194 20.465 ( 0.000 -9.087 -8.909) 12.726 20.465 ( 0.000 9.087 -8.909) 12.726 22.181 ( 0.000 -13.054 3.423) 13.495 22.181 ( 0.000 13.054 3.423) 13.495 22.377 ( 0.000 -4.844 3.672) 6.078 22.377 ( 0.000 4.844 3.672) 6.078 22.612 ( 0.000 -1.058 7.790) 7.861 22.612 ( 0.000 1.058 7.790) 7.861 23.158 ( 0.000 -7.332 -4.760) 8.741 23.158 ( 0.000 7.332 -4.760) 8.741 24.698 ( 0.000 -3.933 8.535) 9.397 24.698 ( 0.000 3.933 8.535) 9.397 25.197 ( 0.000 -0.862 3.272) 3.384 25.197 ( 0.000 0.862 3.272) 3.384 25.287 ( 0.000 -17.591 1.945) 17.699 25.287 ( 0.000 17.591 1.945) 17.699 25.377 ( 0.000 -2.354 1.033) 2.570 25.377 ( 0.000 2.354 1.033) 2.570 25.432 ( 0.000 -1.944 2.491) 3.160 25.432 ( 0.000 1.944 2.491) 3.160 25.688 ( 0.000 -3.761 -7.184) 8.109 25.688 ( 0.000 3.761 -7.184) 8.109 26.173 ( 0.000 -4.292 5.923) 7.315 26.173 ( 0.000 4.292 5.923) 7.315 26.651 ( 0.000 -5.722 -6.825) 8.906 26.651 ( 0.000 5.722 -6.825) 8.906 28.043 ( 0.000 -8.459 14.719) 16.976 28.043 ( 0.000 8.459 14.719) 16.976 28.227 ( 0.000 -8.360 8.524) 11.939 28.227 ( 0.000 8.360 8.524) 11.939 28.689 ( 0.000 -2.441 5.256) 5.795 28.689 ( 0.000 2.441 5.256) 5.795 29.048 ( 0.000 -9.229 -7.538) 11.916 29.048 ( 0.000 9.229 -7.538) 11.916 35.016 ( 0.000 -1.053 -1.812) 2.096 35.016 ( 0.000 1.053 -1.812) 2.096 35.068 ( 0.000 -0.574 -3.149) 3.201 35.068 ( 0.000 0.574 -3.149) 3.201 35.187 ( 0.000 -3.425 4.526) 5.676 35.187 ( 0.000 3.425 4.526) 5.676 35.511 ( 0.000 -8.144 -6.464) 10.398 35.511 ( 0.000 8.144 -6.464) 10.398 35.893 ( 0.000 -0.966 6.535) 6.606 35.893 ( 0.000 0.966 6.535) 6.606 36.134 ( 0.000 -2.020 -1.783) 2.694 36.134 ( 0.000 2.020 -1.783) 2.694 37.428 ( 0.000 -13.974 4.184) 14.587 37.428 ( 0.000 13.975 4.184) 14.587 38.130 ( 0.000 -6.461 -15.575) 16.862 38.130 ( 0.000 6.461 -15.575) 16.862 38.623 ( 0.000 -0.081 -3.596) 3.596 38.623 ( 0.000 0.081 -3.596) 3.596 39.036 ( 0.000 -3.024 -5.771) 6.515 39.036 ( 0.000 3.024 -5.771) 6.515 ======================= Grid point 112 (44/54) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -2.619 -7.161 -0.207) 7.628 2.830 ( -2.619 7.161 -0.207) 7.628 2.875 ( -3.729 -6.562 -0.924) 7.604 2.875 ( -3.729 6.562 -0.924) 7.604 3.119 ( 5.104 -1.736 -1.096) 5.502 3.119 ( 5.104 1.736 -1.096) 5.502 3.251 ( 0.228 -1.422 1.888) 2.375 3.251 ( 0.228 1.422 1.888) 2.375 3.411 ( -0.053 -1.932 2.629) 3.263 3.411 ( -0.053 1.932 2.629) 3.263 3.505 ( -0.828 -2.085 1.060) 2.481 3.505 ( -0.828 2.085 1.060) 2.481 4.119 ( 0.178 -9.693 -2.306) 9.965 4.119 ( 0.178 9.693 -2.306) 9.965 4.355 ( -7.827 -6.164 4.947) 11.123 4.355 ( -7.827 6.164 4.947) 11.123 4.444 ( 1.909 -5.051 10.543) 11.846 4.444 ( 1.909 5.051 10.543) 11.846 4.624 ( 7.201 -9.094 0.809) 11.627 4.624 ( 7.201 9.094 0.809) 11.627 5.136 ( 7.372 -15.000 6.887) 18.077 5.136 ( 7.372 15.000 6.887) 18.077 5.526 ( 7.631 -6.910 8.971) 13.655 5.526 ( 7.631 6.910 8.971) 13.655 6.278 ( -9.367 -3.219 -1.420) 10.006 6.278 ( -9.367 3.219 -1.420) 10.006 6.669 ( 24.351 -16.455 7.551) 30.344 6.669 ( 24.351 16.455 7.551) 30.344 7.065 ( 14.192 -20.312 10.190) 26.793 7.065 ( 14.192 20.312 10.190) 26.793 7.235 ( -12.552 -11.215 0.067) 16.832 7.235 ( -12.552 11.215 0.067) 16.832 8.370 ( -0.828 -4.895 15.473) 16.250 8.370 ( -0.828 4.895 15.473) 16.250 8.523 ( -5.923 -17.487 5.705) 19.324 8.523 ( -5.923 17.487 5.705) 19.324 8.647 ( 1.105 -1.773 5.873) 6.234 8.647 ( 1.105 1.773 5.873) 6.234 8.771 ( -4.567 -1.648 8.054) 9.404 8.771 ( -4.567 1.648 8.054) 9.404 9.188 ( -2.719 -5.206 30.401) 30.963 9.188 ( -2.719 5.206 30.401) 30.963 9.740 ( -25.523 -9.120 15.739) 31.343 9.740 ( -25.523 9.120 15.739) 31.343 10.094 ( -4.713 -4.900 11.408) 13.281 10.094 ( -4.713 4.900 11.408) 13.281 10.517 ( -6.847 -13.695 5.338) 16.215 10.517 ( -6.847 13.695 5.338) 16.215 10.923 ( -2.020 -13.778 -9.473) 16.842 10.923 ( -2.020 13.778 -9.473) 16.842 11.137 ( 2.684 -10.234 -10.368) 14.813 11.137 ( 2.684 10.234 -10.368) 14.813 11.256 ( -1.048 -7.003 -6.277) 9.463 11.256 ( -1.048 7.003 -6.277) 9.463 11.560 ( 0.942 -21.572 -18.446) 28.399 11.560 ( 0.942 21.572 -18.446) 28.399 12.198 ( 9.058 -5.415 1.263) 10.629 12.198 ( 9.058 5.415 1.263) 10.629 12.315 ( 12.062 -5.365 -10.309) 16.750 12.315 ( 12.062 5.365 -10.309) 16.750 12.773 ( 11.890 -8.757 -8.958) 17.271 12.773 ( 11.890 8.757 -8.958) 17.271 12.913 ( 6.165 -5.036 -2.184) 8.255 12.913 ( 6.165 5.036 -2.184) 8.255 13.152 ( -6.237 -4.451 -2.281) 7.995 13.152 ( -6.237 4.451 -2.281) 7.995 13.367 ( 0.681 -1.585 -15.852) 15.945 13.367 ( 0.681 1.585 -15.852) 15.945 13.516 ( -4.206 -2.309 -7.298) 8.734 13.516 ( -4.206 2.309 -7.298) 8.734 13.723 ( -4.144 -2.717 -3.065) 5.826 13.723 ( -4.144 2.717 -3.065) 5.826 14.425 ( -0.696 -9.952 5.957) 11.619 14.425 ( -0.696 9.952 5.957) 11.619 14.615 ( -6.624 -4.656 0.375) 8.106 14.615 ( -6.624 4.656 0.375) 8.106 16.023 ( 3.627 -7.493 -4.327) 9.382 16.023 ( 3.627 7.493 -4.327) 9.382 16.113 ( 7.527 -6.278 1.558) 9.925 16.113 ( 7.527 6.278 1.558) 9.925 16.312 ( 8.177 -7.865 -0.287) 11.349 16.312 ( 8.177 7.865 -0.287) 11.349 17.290 ( -5.260 -6.474 -13.838) 16.157 17.290 ( -5.260 6.474 -13.838) 16.157 18.168 ( -2.361 -5.886 -7.062) 9.491 18.168 ( -2.361 5.886 -7.062) 9.491 18.851 ( -11.048 -14.004 -4.345) 18.358 18.851 ( -11.048 14.004 -4.345) 18.358 19.699 ( 11.336 -5.967 9.060) 15.691 19.699 ( 11.336 5.967 9.060) 15.691 20.471 ( -1.385 -5.861 -3.320) 6.877 20.471 ( -1.385 5.861 -3.320) 6.877 22.017 ( -8.402 -23.438 3.403) 25.130 22.017 ( -8.402 23.438 3.403) 25.130 22.348 ( -7.395 -26.565 -1.463) 27.614 22.348 ( -7.395 26.565 -1.463) 27.614 22.728 ( 10.147 -3.665 7.979) 13.419 22.728 ( 10.147 3.665 7.979) 13.419 23.141 ( -1.956 -5.729 -3.361) 6.924 23.141 ( -1.956 5.729 -3.361) 6.924 24.731 ( 3.361 -3.437 8.578) 9.833 24.731 ( 3.361 3.437 8.578) 9.833 25.152 ( -7.255 -3.375 3.127) 8.591 25.152 ( -7.255 3.375 3.127) 8.591 25.271 ( 3.726 -8.795 4.612) 10.607 25.271 ( 3.726 8.795 4.612) 10.607 25.396 ( 1.899 -2.904 2.233) 4.126 25.396 ( 1.899 2.904 2.233) 4.126 25.502 ( 4.797 -4.165 1.871) 6.622 25.502 ( 4.797 4.165 1.871) 6.622 25.766 ( 4.822 -4.998 -7.120) 9.946 25.766 ( 4.822 4.998 -7.120) 9.946 26.142 ( -1.659 -2.591 5.165) 6.012 26.142 ( -1.659 2.591 5.165) 6.012 26.565 ( -7.860 -7.017 -6.415) 12.335 26.565 ( -7.860 7.017 -6.415) 12.335 28.031 ( 2.022 -5.599 13.350) 14.617 28.031 ( 2.022 5.599 13.350) 14.617 28.386 ( 11.941 -13.542 6.611) 19.228 28.386 ( 11.941 13.542 6.611) 19.228 28.599 ( -8.209 -2.572 4.789) 9.845 28.599 ( -8.209 2.572 4.789) 9.845 29.012 ( -3.952 -11.974 -6.244) 14.071 29.012 ( -3.952 11.974 -6.244) 14.071 35.020 ( 0.402 -1.140 -1.883) 2.237 35.020 ( 0.402 1.140 -1.883) 2.237 35.063 ( -0.526 -0.892 -2.738) 2.928 35.063 ( -0.526 0.892 -2.738) 2.928 35.206 ( 1.831 -4.123 3.914) 5.973 35.206 ( 1.831 4.123 3.914) 5.973 35.448 ( -4.960 -7.301 -3.094) 9.353 35.448 ( -4.960 7.301 -3.094) 9.353 35.969 ( 5.883 -0.859 3.523) 6.911 35.969 ( 5.883 0.859 3.523) 6.911 36.139 ( 0.323 -1.764 -1.321) 2.227 36.139 ( 0.323 1.764 -1.321) 2.227 37.471 ( 4.309 -13.466 2.259) 14.318 37.471 ( 4.309 13.466 2.259) 14.318 38.026 ( -9.010 -7.575 -12.847) 17.424 38.026 ( -9.010 7.575 -12.847) 17.424 38.689 ( 5.435 -1.430 -4.815) 7.401 38.689 ( 5.435 1.430 -4.815) 7.401 39.005 ( -2.967 -2.788 -5.694) 6.999 39.005 ( -2.967 2.788 -5.694) 6.999 ======================= Grid point 114 (45/54) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -0.554 -12.608 0.546) 12.631 2.791 ( -0.554 12.607 0.546) 12.631 2.811 ( -2.354 -12.223 -0.314) 12.451 2.811 ( -2.354 12.223 -0.314) 12.451 3.206 ( 3.179 -0.843 -2.339) 4.036 3.206 ( 3.179 0.843 -2.339) 4.036 3.247 ( -0.912 -0.868 -0.848) 1.518 3.247 ( -0.912 0.868 -0.848) 1.518 3.428 ( 1.714 -0.795 2.732) 3.322 3.428 ( 1.714 0.795 2.732) 3.322 3.471 ( -2.252 -1.201 1.457) 2.938 3.471 ( -2.252 1.201 1.457) 2.938 4.145 ( 2.744 -8.308 1.561) 8.887 4.145 ( 2.744 8.308 1.561) 8.887 4.226 ( -5.014 -2.310 3.758) 6.678 4.226 ( -5.014 2.310 3.758) 6.678 4.545 ( 7.335 -10.616 6.134) 14.287 4.545 ( 7.335 10.616 6.134) 14.287 4.699 ( -4.732 -8.660 3.971) 10.637 4.699 ( -4.732 8.660 3.971) 10.637 5.218 ( 14.265 -22.175 3.440) 26.591 5.218 ( 14.265 22.175 3.440) 26.591 5.605 ( -15.775 -22.245 6.168) 27.960 5.605 ( -15.775 22.245 6.168) 27.960 6.299 ( 19.233 -5.959 2.809) 20.330 6.299 ( 19.233 5.959 2.809) 20.330 6.729 ( -18.620 -10.659 4.611) 21.945 6.729 ( -18.620 10.659 4.611) 21.945 7.410 ( 29.502 -6.483 4.224) 30.500 7.410 ( 29.502 6.483 4.224) 30.500 7.560 ( 29.068 -10.794 8.035) 32.031 7.560 ( 29.068 10.794 8.035) 32.031 8.117 ( -23.860 -13.838 7.818) 28.669 8.117 ( -23.860 13.838 7.818) 28.669 8.243 ( -22.866 -6.220 11.340) 26.270 8.243 ( -22.866 6.220 11.340) 26.270 8.624 ( 2.831 -14.992 8.410) 17.422 8.624 ( 2.831 14.992 8.410) 17.422 8.734 ( -4.334 -16.897 -1.389) 17.500 8.734 ( -4.334 16.897 -1.389) 17.500 9.140 ( 0.667 -4.645 30.870) 31.225 9.140 ( 0.667 4.645 30.870) 31.225 9.284 ( -14.844 -8.284 24.336) 29.685 9.284 ( -14.844 8.284 24.336) 29.685 10.094 ( 6.047 -9.820 13.353) 17.644 10.094 ( 6.047 9.820 13.353) 17.644 10.296 ( -12.208 -13.805 8.733) 20.393 10.296 ( -12.208 13.805 8.733) 20.393 11.025 ( 9.469 -14.794 -6.792) 18.832 11.025 ( 9.469 14.794 -6.792) 18.832 11.173 ( -2.376 -11.343 -8.610) 14.437 11.173 ( -2.376 11.343 -8.610) 14.437 11.285 ( 3.873 -5.724 -14.073) 15.678 11.285 ( 3.873 5.724 -14.073) 15.678 11.421 ( -9.770 -14.662 -20.944) 27.369 11.421 ( -9.770 14.662 -20.944) 27.369 12.443 ( 12.557 -4.395 -3.434) 13.740 12.443 ( 12.557 4.395 -3.434) 13.740 12.550 ( 5.737 -8.411 -11.187) 15.126 12.550 ( 5.737 8.411 -11.187) 15.126 12.871 ( 1.739 -11.181 2.634) 11.618 12.871 ( 1.739 11.181 2.634) 11.618 12.985 ( -7.569 -5.603 2.421) 9.723 12.985 ( -7.569 5.603 2.421) 9.723 13.185 ( 12.769 -4.178 -7.337) 15.308 13.185 ( 12.769 4.178 -7.337) 15.308 13.336 ( -3.678 -6.040 -9.613) 11.934 13.336 ( -3.678 6.040 -9.613) 11.934 13.469 ( 1.762 -11.249 -11.883) 16.458 13.469 ( 1.762 11.249 -11.883) 16.458 13.601 ( -7.940 -6.729 -7.749) 12.976 13.601 ( -7.940 6.729 -7.749) 12.976 14.421 ( 0.817 -6.276 5.288) 8.247 14.421 ( 0.817 6.276 5.288) 8.247 14.481 ( -5.373 -3.666 3.281) 7.285 14.481 ( -5.373 3.666 3.281) 7.285 16.101 ( 3.774 -3.192 -8.471) 9.808 16.101 ( 3.774 3.192 -8.471) 9.808 16.159 ( -1.396 -1.418 -7.814) 8.063 16.159 ( -1.396 1.418 -7.814) 8.063 16.648 ( 21.181 -5.382 8.106) 23.309 16.648 ( 21.181 5.382 8.106) 23.309 17.058 ( -17.353 -3.591 2.114) 17.846 17.058 ( -17.353 3.591 2.114) 17.846 18.247 ( 10.670 -9.300 -16.827) 21.989 18.247 ( 10.670 9.300 -16.827) 21.989 18.546 ( -16.904 -11.147 -14.679) 25.009 18.546 ( -16.904 11.147 -14.679) 25.009 20.009 ( 17.439 -2.182 11.043) 20.757 20.009 ( 17.439 2.182 11.043) 20.757 20.332 ( -12.646 -1.940 6.455) 14.330 20.332 ( -12.646 1.940 6.455) 14.330 21.970 ( 4.216 -27.101 -0.860) 27.441 21.970 ( 4.216 27.101 -0.860) 27.441 22.142 ( -11.015 -26.913 -2.418) 29.180 22.142 ( -11.015 26.913 -2.418) 29.180 22.928 ( 8.669 -1.368 3.727) 9.535 22.928 ( 8.669 1.368 3.727) 9.535 23.069 ( -5.258 -2.901 -0.237) 6.010 23.069 ( -5.258 2.901 -0.237) 6.010 24.833 ( 6.568 -2.282 8.077) 10.658 24.833 ( 6.568 2.282 8.077) 10.658 24.987 ( -8.257 -2.616 6.223) 10.665 24.987 ( -8.257 2.616 6.223) 10.665 25.370 ( 4.562 -3.806 4.720) 7.588 25.370 ( 4.562 3.806 4.720) 7.588 25.421 ( -0.260 -2.199 4.006) 4.578 25.421 ( -0.260 2.199 4.006) 4.578 25.621 ( 7.003 -5.588 1.758) 9.130 25.621 ( 7.003 5.588 1.758) 9.130 25.762 ( -5.434 -6.934 -0.977) 8.863 25.762 ( -5.434 6.934 -0.977) 8.863 26.192 ( 6.949 -6.616 -1.953) 9.792 26.192 ( 6.949 6.616 -1.953) 9.792 26.373 ( -10.016 -7.986 -5.572) 13.970 26.373 ( -10.016 7.986 -5.572) 13.970 28.155 ( 9.565 -3.001 10.231) 14.324 28.155 ( 9.565 3.001 10.231) 14.324 28.381 ( -11.713 -2.121 7.888) 14.280 28.381 ( -11.713 2.121 7.888) 14.280 28.649 ( 12.530 -15.984 0.148) 20.311 28.649 ( 12.530 15.984 0.148) 20.311 28.877 ( -9.314 -15.053 -3.428) 18.031 28.877 ( -9.314 15.053 -3.428) 18.031 35.032 ( 0.724 -1.158 -1.951) 2.381 35.032 ( 0.724 1.158 -1.951) 2.381 35.048 ( -0.838 -1.061 -2.190) 2.574 35.048 ( -0.838 1.061 -2.190) 2.574 35.261 ( 3.527 -5.364 2.493) 6.886 35.261 ( 3.527 5.364 2.493) 6.886 35.345 ( -4.761 -6.409 0.374) 7.992 35.345 ( -4.761 6.409 0.374) 7.992 36.079 ( 4.329 -1.290 0.979) 4.622 36.079 ( 4.329 1.290 0.979) 4.622 36.134 ( -1.197 -1.437 -0.290) 1.893 36.134 ( -1.197 1.437 -0.290) 1.893 37.605 ( 8.807 -11.868 -2.574) 15.001 37.605 ( 8.807 11.868 -2.574) 15.001 37.813 ( -11.133 -9.648 -8.078) 16.801 37.813 ( -11.133 9.648 -8.078) 16.801 38.809 ( 5.991 -1.856 -5.519) 8.355 38.809 ( 5.991 1.856 -5.519) 8.355 38.922 ( -5.002 -2.288 -5.600) 7.849 38.922 ( -5.002 2.288 -5.600) 7.849 ======================= Grid point 125 (46/54) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 0.000 -3.918) 3.918 2.254 ( 0.000 0.000 -5.121) 5.121 3.010 ( 0.000 0.000 2.360) 2.360 3.035 ( 0.000 0.000 -0.683) 0.683 3.134 ( 0.000 0.000 0.680) 0.680 3.168 ( 0.000 0.000 -2.689) 2.689 3.249 ( 0.000 0.000 1.939) 1.939 3.296 ( 0.000 0.000 -3.509) 3.509 3.427 ( 0.000 0.000 3.135) 3.135 3.429 ( 0.000 0.000 4.770) 4.770 3.490 ( 0.000 0.000 3.981) 3.981 3.541 ( 0.000 0.000 -1.457) 1.457 3.667 ( 0.000 0.000 -3.499) 3.499 3.730 ( 0.000 0.000 -8.358) 8.358 4.115 ( 0.000 0.000 10.747) 10.747 4.300 ( 0.000 0.000 -9.348) 9.348 4.625 ( 0.000 0.000 5.800) 5.800 4.672 ( 0.000 0.000 -0.565) 0.565 4.795 ( 0.000 0.000 18.941) 18.941 5.053 ( 0.000 0.000 21.658) 21.658 5.158 ( 0.000 0.000 -14.747) 14.747 5.446 ( 0.000 0.000 -17.408) 17.408 5.816 ( 0.000 0.000 19.987) 19.987 5.860 ( 0.000 0.000 12.066) 12.066 6.010 ( 0.000 0.000 -3.073) 3.073 6.231 ( 0.000 0.000 -19.312) 19.312 6.335 ( 0.000 0.000 9.477) 9.477 6.503 ( 0.000 0.000 -5.223) 5.223 6.734 ( 0.000 0.000 7.079) 7.079 6.903 ( 0.000 0.000 -9.301) 9.301 7.690 ( 0.000 0.000 0.653) 0.653 7.726 ( 0.000 0.000 -3.146) 3.146 8.259 ( 0.000 0.000 9.044) 9.044 8.417 ( 0.000 0.000 37.464) 37.464 8.454 ( 0.000 0.000 -10.720) 10.720 9.027 ( 0.000 0.000 -10.164) 10.164 9.140 ( 0.000 0.000 19.636) 19.636 9.256 ( 0.000 0.000 -1.333) 1.333 9.279 ( 0.000 0.000 26.048) 26.048 9.466 ( 0.000 0.000 -8.835) 8.835 9.494 ( 0.000 0.000 -7.015) 7.015 9.651 ( 0.000 0.000 -10.266) 10.266 9.844 ( 0.000 0.000 24.447) 24.447 10.046 ( 0.000 0.000 25.098) 25.098 10.145 ( 0.000 0.000 26.087) 26.087 10.329 ( 0.000 0.000 -5.175) 5.175 10.380 ( 0.000 0.000 -4.774) 4.774 10.514 ( 0.000 0.000 -2.453) 2.453 10.576 ( 0.000 0.000 6.806) 6.806 10.854 ( 0.000 0.000 -0.922) 0.922 10.892 ( 0.000 0.000 -9.160) 9.160 11.071 ( 0.000 0.000 -17.189) 17.189 11.294 ( 0.000 0.000 -10.548) 10.548 11.498 ( 0.000 0.000 -18.851) 18.851 11.671 ( 0.000 0.000 12.121) 12.121 11.729 ( 0.000 0.000 18.933) 18.933 11.975 ( 0.000 0.000 -3.212) 3.212 12.008 ( 0.000 0.000 -19.684) 19.684 12.063 ( 0.000 0.000 6.717) 6.717 12.142 ( 0.000 0.000 0.979) 0.979 12.178 ( 0.000 0.000 3.539) 3.539 12.424 ( 0.000 0.000 3.133) 3.133 12.517 ( 0.000 0.000 -27.494) 27.494 12.645 ( 0.000 0.000 -19.064) 19.064 12.671 ( 0.000 0.000 -2.840) 2.840 12.702 ( 0.000 0.000 -7.027) 7.027 13.327 ( 0.000 0.000 0.379) 0.379 13.333 ( 0.000 0.000 0.233) 0.233 13.502 ( 0.000 0.000 14.049) 14.049 13.777 ( 0.000 0.000 -13.490) 13.490 13.974 ( 0.000 0.000 0.042) 0.042 13.980 ( 0.000 0.000 -0.226) 0.226 14.309 ( 0.000 0.000 6.918) 6.918 14.457 ( 0.000 0.000 -7.180) 7.180 14.679 ( 0.000 0.000 3.545) 3.545 14.725 ( 0.000 0.000 -0.959) 0.959 15.576 ( 0.000 0.000 7.887) 7.887 15.755 ( 0.000 0.000 -10.065) 10.065 16.075 ( 0.000 0.000 1.408) 1.408 16.109 ( 0.000 0.000 -3.932) 3.932 16.320 ( 0.000 0.000 11.825) 11.825 16.686 ( 0.000 0.000 -26.337) 26.337 16.877 ( 0.000 0.000 20.351) 20.351 17.365 ( 0.000 0.000 -29.193) 29.193 18.116 ( 0.000 0.000 8.902) 8.902 18.275 ( 0.000 0.000 -7.212) 7.212 18.541 ( 0.000 0.000 21.494) 21.494 18.911 ( 0.000 0.000 -16.455) 16.455 19.917 ( 0.000 0.000 22.029) 22.029 19.917 ( 0.000 0.000 5.823) 5.823 20.053 ( 0.000 0.000 -7.888) 7.888 20.320 ( 0.000 0.000 -19.460) 19.460 21.684 ( 0.000 0.000 5.515) 5.515 21.758 ( 0.000 0.000 -1.815) 1.815 22.594 ( 0.000 0.000 12.523) 12.523 22.804 ( 0.000 0.000 -8.482) 8.482 22.955 ( 0.000 0.000 12.745) 12.745 23.190 ( 0.000 0.000 -10.834) 10.834 23.445 ( 0.000 0.000 2.851) 2.851 23.486 ( 0.000 0.000 -1.029) 1.029 24.117 ( 0.000 0.000 2.198) 2.198 24.166 ( 0.000 0.000 -2.931) 2.931 25.127 ( 0.000 0.000 9.675) 9.675 25.252 ( 0.000 0.000 3.801) 3.801 25.252 ( 0.000 0.000 3.615) 3.615 25.302 ( 0.000 0.000 -4.366) 4.366 25.324 ( 0.000 0.000 -7.704) 7.704 25.326 ( 0.000 0.000 -3.877) 3.877 25.527 ( 0.000 0.000 0.809) 0.809 25.542 ( 0.000 0.000 -0.287) 0.287 25.909 ( 0.000 0.000 7.195) 7.195 26.030 ( 0.000 0.000 -5.798) 5.798 26.049 ( 0.000 0.000 3.793) 3.793 26.102 ( 0.000 0.000 -1.714) 1.714 26.602 ( 0.000 0.000 2.936) 2.936 26.671 ( 0.000 0.000 -4.734) 4.734 28.027 ( 0.000 0.000 6.397) 6.397 28.069 ( 0.000 0.000 2.368) 2.368 28.605 ( 0.000 0.000 5.952) 5.952 28.608 ( 0.000 0.000 8.103) 8.103 28.704 ( 0.000 0.000 2.142) 2.142 28.723 ( 0.000 0.000 -0.210) 0.210 28.890 ( 0.000 0.000 2.992) 2.992 29.075 ( 0.000 0.000 -13.210) 13.210 34.958 ( 0.000 0.000 -0.685) 0.685 34.959 ( 0.000 0.000 -0.791) 0.791 35.043 ( 0.000 0.000 -0.011) 0.011 35.052 ( 0.000 0.000 -0.968) 0.968 35.082 ( 0.000 0.000 0.296) 0.296 35.104 ( 0.000 0.000 -1.867) 1.867 35.430 ( 0.000 0.000 6.874) 6.874 35.549 ( 0.000 0.000 -5.297) 5.297 35.976 ( 0.000 0.000 7.058) 7.058 36.003 ( 0.000 0.000 5.822) 5.822 36.089 ( 0.000 0.000 -3.262) 3.262 36.099 ( 0.000 0.000 -5.861) 5.861 37.364 ( 0.000 0.000 13.147) 13.147 37.664 ( 0.000 0.000 -17.567) 17.567 38.000 ( 0.000 0.000 6.815) 6.815 38.192 ( 0.000 0.000 -12.562) 12.562 38.538 ( 0.000 0.000 3.179) 3.179 38.629 ( 0.000 0.000 -5.992) 5.992 38.743 ( 0.000 0.000 5.346) 5.346 38.866 ( 0.000 0.000 -7.303) 7.303 ======================= Grid point 126 (47/54) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.539 0.000 -2.296) 2.358 2.263 ( -0.170 0.000 -5.071) 5.074 3.028 ( 1.533 0.000 1.665) 2.263 3.043 ( 0.645 0.000 -0.321) 0.720 3.133 ( 0.114 0.000 0.757) 0.766 3.172 ( 0.263 0.000 -3.091) 3.102 3.243 ( -0.118 0.000 1.818) 1.822 3.289 ( -0.580 0.000 -3.279) 3.330 3.408 ( -0.960 0.000 4.595) 4.694 3.429 ( -0.721 0.000 2.030) 2.154 3.489 ( -0.029 0.000 3.278) 3.278 3.530 ( -0.985 0.000 -1.052) 1.441 3.719 ( 5.366 0.000 -3.491) 6.402 3.758 ( 3.435 0.000 -6.855) 7.667 4.094 ( -0.633 0.000 8.420) 8.444 4.238 ( -4.277 0.000 -6.918) 8.133 4.433 ( -14.555 0.000 8.615) 16.914 4.577 ( -11.897 0.000 -6.383) 13.501 4.984 ( 16.056 0.000 18.389) 24.412 5.095 ( 4.215 0.000 12.782) 13.459 5.258 ( -4.979 0.000 -3.293) 5.969 5.376 ( 16.244 0.000 -19.455) 25.345 5.831 ( 0.741 0.000 21.368) 21.381 6.154 ( 10.866 0.000 7.806) 13.379 6.283 ( 14.653 0.000 -2.940) 14.945 6.291 ( 4.873 0.000 -22.535) 23.056 6.491 ( 18.766 0.000 18.424) 26.299 6.670 ( 12.947 0.000 1.625) 13.049 6.807 ( 12.721 0.000 0.521) 12.732 6.842 ( 5.501 0.000 -2.815) 6.180 7.296 ( -27.259 0.000 4.201) 27.581 7.479 ( -17.255 0.000 -11.911) 20.967 8.317 ( 1.243 0.000 8.284) 8.377 8.478 ( -1.889 0.000 -7.981) 8.201 8.644 ( -1.293 0.000 26.789) 26.821 8.913 ( -22.530 0.000 5.276) 23.139 9.063 ( -4.846 0.000 17.711) 18.363 9.097 ( -0.813 0.000 -1.729) 1.910 9.256 ( -5.577 0.000 11.647) 12.913 9.277 ( -1.992 0.000 -16.697) 16.816 9.424 ( -2.143 0.000 5.586) 5.983 9.597 ( -5.197 0.000 -3.782) 6.428 9.923 ( 0.705 0.000 24.451) 24.461 10.025 ( -11.227 0.000 9.611) 14.779 10.078 ( -5.390 0.000 25.121) 25.693 10.204 ( 6.072 0.000 22.922) 23.712 10.379 ( -11.621 0.000 -2.666) 11.923 10.487 ( 3.729 0.000 -11.509) 12.098 10.747 ( 10.672 0.000 4.455) 11.564 10.763 ( -4.497 0.000 -2.956) 5.381 10.881 ( -2.787 0.000 -10.586) 10.947 11.057 ( -5.154 0.000 -0.481) 5.176 11.137 ( -0.526 0.000 -22.389) 22.395 11.506 ( -9.569 0.000 9.395) 13.411 11.573 ( -0.578 0.000 -32.537) 32.542 11.700 ( -12.651 0.000 -1.272) 12.714 11.785 ( 3.288 0.000 7.223) 7.937 12.102 ( -0.562 0.000 -14.254) 14.265 12.138 ( 7.302 0.000 10.227) 12.566 12.275 ( 4.759 0.000 -3.372) 5.833 12.466 ( 20.864 0.000 4.091) 21.262 12.503 ( 12.741 0.000 4.611) 13.550 12.657 ( 9.089 0.000 -15.650) 18.098 12.686 ( 4.446 0.000 -13.434) 14.150 12.786 ( 9.920 0.000 -3.335) 10.466 12.837 ( 13.061 0.000 -8.165) 15.403 13.299 ( -2.371 0.000 0.781) 2.496 13.322 ( -0.750 0.000 -2.315) 2.433 13.422 ( -7.748 0.000 12.436) 14.652 13.666 ( -10.407 0.000 -11.873) 15.788 13.835 ( -10.402 0.000 3.057) 10.842 13.918 ( -7.876 0.000 -5.021) 9.340 14.346 ( 3.101 0.000 4.828) 5.738 14.456 ( -0.094 0.000 -5.502) 5.503 14.682 ( 0.856 0.000 5.357) 5.425 14.746 ( 0.587 0.000 -0.931) 1.101 15.645 ( 5.545 0.000 4.057) 6.871 15.769 ( 1.146 0.000 -8.243) 8.323 16.061 ( -0.763 0.000 -0.357) 0.842 16.103 ( -0.847 0.000 -4.907) 4.980 16.440 ( 11.836 0.000 11.346) 16.396 16.779 ( 8.645 0.000 -23.869) 25.387 17.008 ( 12.546 0.000 21.607) 24.986 17.493 ( 12.233 0.000 -27.993) 30.549 17.950 ( -14.156 0.000 8.677) 16.604 18.139 ( -12.931 0.000 -10.468) 16.637 18.311 ( -19.883 0.000 22.693) 30.172 18.718 ( -17.331 0.000 -18.989) 25.709 20.037 ( 11.631 0.000 9.048) 14.736 20.068 ( 12.428 0.000 18.840) 22.570 20.210 ( 13.169 0.000 -8.277) 15.554 20.392 ( 5.156 0.000 -14.310) 15.210 21.488 ( -16.241 0.000 7.883) 18.053 21.616 ( -13.566 0.000 -4.848) 14.406 22.539 ( -4.341 0.000 9.964) 10.869 22.717 ( -7.571 0.000 -7.829) 10.891 23.014 ( 4.775 0.000 9.759) 10.865 23.190 ( -0.274 0.000 -7.944) 7.949 23.462 ( 1.700 0.000 3.312) 3.723 23.508 ( 1.391 0.000 -1.171) 1.818 24.147 ( 2.730 0.000 1.884) 3.316 24.194 ( 2.198 0.000 -2.948) 3.677 25.163 ( 3.348 0.000 9.508) 10.081 25.264 ( 1.403 0.000 4.530) 4.742 25.269 ( 1.889 0.000 5.426) 5.745 25.341 ( 3.627 0.000 -4.298) 5.624 25.373 ( 2.639 0.000 -5.096) 5.739 25.395 ( 5.436 0.000 -8.002) 9.674 25.519 ( 1.272 0.000 3.738) 3.949 25.584 ( 2.673 0.000 -2.637) 3.755 25.870 ( -3.357 0.000 6.792) 7.577 25.982 ( -4.403 0.000 -5.354) 6.932 26.063 ( 1.693 0.000 5.082) 5.357 26.148 ( 3.848 0.000 -3.864) 5.453 26.514 ( -7.339 0.000 5.277) 9.039 26.617 ( -5.421 0.000 -5.643) 7.825 28.075 ( 5.015 0.000 6.940) 8.563 28.138 ( 6.352 0.000 0.880) 6.413 28.466 ( -4.235 0.000 13.340) 13.996 28.628 ( -6.933 0.000 3.292) 7.674 28.669 ( -5.452 0.000 -0.737) 5.502 28.693 ( -3.668 0.000 -9.837) 10.498 28.888 ( 4.897 0.000 11.698) 12.682 29.121 ( 2.170 0.000 -12.201) 12.393 34.957 ( 0.184 0.000 -0.061) 0.193 34.968 ( 0.565 0.000 -1.205) 1.330 35.033 ( -0.805 0.000 0.037) 0.806 35.046 ( -0.600 0.000 -1.248) 1.385 35.081 ( -0.056 0.000 0.111) 0.124 35.097 ( -0.523 0.000 -1.489) 1.579 35.445 ( 1.404 0.000 6.078) 6.238 35.539 ( -0.931 0.000 -3.267) 3.397 36.007 ( 2.695 0.000 4.985) 5.667 36.036 ( 2.926 0.000 5.267) 6.025 36.103 ( 0.229 0.000 -4.889) 4.894 36.110 ( 1.653 0.000 -2.398) 2.913 37.368 ( 0.716 0.000 10.248) 10.273 37.613 ( -4.649 0.000 -14.557) 15.281 38.007 ( 0.768 0.000 5.187) 5.244 38.162 ( -2.735 0.000 -10.316) 10.672 38.555 ( 1.532 0.000 1.724) 2.306 38.627 ( -0.267 0.000 -5.347) 5.354 38.754 ( 1.015 0.000 3.640) 3.779 38.852 ( -1.318 0.000 -6.318) 6.454 ======================= Grid point 127 (48/54) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.051 0.000 -1.266) 1.267 2.241 ( -1.518 0.000 -2.663) 3.065 3.053 ( 0.587 0.000 0.733) 0.939 3.054 ( 0.395 0.000 0.520) 0.653 3.147 ( 1.290 0.000 -0.777) 1.506 3.170 ( -0.649 0.000 -2.903) 2.974 3.254 ( 1.092 0.000 0.405) 1.165 3.275 ( -0.833 0.000 -1.835) 2.015 3.395 ( -0.102 0.000 2.613) 2.615 3.407 ( -1.120 0.000 1.299) 1.716 3.491 ( 0.343 0.000 1.601) 1.638 3.507 ( -1.121 0.000 -0.018) 1.122 3.879 ( 9.553 0.000 -1.943) 9.748 3.907 ( 11.876 0.000 -5.320) 13.013 4.113 ( 2.213 0.000 3.570) 4.201 4.137 ( -13.119 0.000 3.443) 13.564 4.166 ( -2.892 0.000 -2.131) 3.593 4.245 ( -17.792 0.000 -7.709) 19.390 5.210 ( 6.375 0.000 10.148) 11.985 5.273 ( 1.380 0.000 4.362) 4.575 5.329 ( 15.676 0.000 11.305) 19.327 5.549 ( -3.757 0.000 -8.970) 9.725 5.973 ( 17.703 0.000 19.827) 26.580 6.153 ( -1.802 0.000 2.531) 3.107 6.250 ( -9.810 0.000 -6.294) 11.655 6.367 ( -7.127 0.000 -9.548) 11.915 6.597 ( -6.239 0.000 8.611) 10.634 6.860 ( -20.260 0.000 -9.491) 22.373 7.125 ( 40.466 0.000 19.021) 44.714 7.321 ( 36.650 0.000 6.871) 37.288 7.423 ( 35.340 0.000 -3.744) 35.537 7.549 ( 27.986 0.000 -22.171) 35.704 8.023 ( -40.940 0.000 18.239) 44.819 8.079 ( -25.697 0.000 7.166) 26.677 8.173 ( -27.622 0.000 -2.679) 27.751 8.307 ( -37.462 0.000 -11.356) 39.145 9.061 ( 4.106 0.000 13.321) 13.940 9.144 ( -3.225 0.000 7.814) 8.453 9.321 ( 14.515 0.000 8.948) 17.051 9.417 ( 6.267 0.000 -0.138) 6.268 9.445 ( 2.122 0.000 11.742) 11.932 9.494 ( -3.485 0.000 4.309) 5.541 9.770 ( -5.182 0.000 13.552) 14.509 9.869 ( -10.495 0.000 4.212) 11.309 10.008 ( 0.468 0.000 16.609) 16.616 10.131 ( -10.850 0.000 2.586) 11.154 10.346 ( 8.495 0.000 31.768) 32.884 10.496 ( -4.734 0.000 32.106) 32.453 10.735 ( 1.611 0.000 -8.435) 8.588 10.802 ( -4.264 0.000 -12.434) 13.145 10.905 ( 6.259 0.000 -17.638) 18.716 10.996 ( -2.319 0.000 -12.075) 12.296 11.258 ( 10.165 0.000 -26.617) 28.492 11.389 ( -1.038 0.000 6.837) 6.915 11.466 ( -8.864 0.000 -33.433) 34.588 11.469 ( -8.466 0.000 0.972) 8.522 11.906 ( 6.911 0.000 1.193) 7.013 12.034 ( -5.272 0.000 -8.364) 9.887 12.261 ( 3.414 0.000 4.869) 5.946 12.293 ( -0.439 0.000 1.456) 1.521 12.806 ( 9.327 0.000 -1.694) 9.480 12.833 ( 11.930 0.000 0.553) 11.942 12.840 ( 7.680 0.000 -3.346) 8.377 12.873 ( 14.205 0.000 -3.133) 14.547 12.967 ( 7.069 0.000 -1.539) 7.234 13.063 ( 2.085 0.000 -8.561) 8.812 13.229 ( -7.740 0.000 6.684) 10.227 13.288 ( 5.062 0.000 2.357) 5.584 13.363 ( 5.435 0.000 -4.426) 7.009 13.386 ( -16.114 0.000 -8.347) 18.148 13.602 ( -9.725 0.000 1.159) 9.794 13.700 ( -12.440 0.000 -7.673) 14.616 14.410 ( 2.715 0.000 1.435) 3.071 14.447 ( -0.992 0.000 -2.044) 2.273 14.706 ( 1.306 0.000 4.103) 4.306 14.735 ( -1.382 0.000 1.240) 1.857 15.745 ( 3.572 0.000 -1.115) 3.742 15.783 ( -0.276 0.000 -4.813) 4.821 16.058 ( 0.515 0.000 -3.521) 3.559 16.078 ( -1.317 0.000 -5.482) 5.638 16.760 ( 17.190 0.000 7.064) 18.585 16.948 ( 2.933 0.000 -11.300) 11.675 17.359 ( 21.298 0.000 23.229) 31.515 17.683 ( -6.679 0.000 0.556) 6.702 17.805 ( -1.324 0.000 -2.673) 2.983 17.819 ( -15.857 0.000 -12.273) 20.052 17.869 ( -2.870 0.000 0.845) 2.992 18.291 ( -23.059 0.000 -22.516) 32.228 20.319 ( 10.492 0.000 10.335) 14.728 20.333 ( 15.138 0.000 9.981) 18.132 20.445 ( -1.380 0.000 -2.372) 2.745 20.461 ( 6.704 0.000 -2.092) 7.022 21.177 ( -8.944 0.000 4.193) 9.878 21.288 ( -15.749 0.000 -6.155) 16.909 22.481 ( -0.052 0.000 2.996) 2.996 22.555 ( -6.922 0.000 -4.286) 8.141 23.108 ( 3.976 0.000 3.887) 5.560 23.168 ( -1.993 0.000 -2.221) 2.984 23.501 ( 1.758 0.000 2.220) 2.831 23.522 ( -0.191 0.000 0.156) 0.246 24.207 ( 2.468 0.000 0.380) 2.497 24.228 ( 0.548 0.000 -1.817) 1.898 25.242 ( 3.697 0.000 8.724) 9.475 25.285 ( -0.194 0.000 6.778) 6.780 25.320 ( 2.840 0.000 5.279) 5.995 25.374 ( -2.041 0.000 0.725) 2.166 25.431 ( 4.555 0.000 -4.161) 6.169 25.478 ( 1.164 0.000 -7.627) 7.715 25.589 ( 4.000 0.000 -0.092) 4.001 25.626 ( 0.653 0.000 -2.794) 2.869 25.816 ( -0.434 0.000 3.365) 3.393 25.875 ( -5.274 0.000 -3.071) 6.104 26.124 ( 4.366 0.000 5.132) 6.738 26.206 ( -0.801 0.000 -3.253) 3.350 26.391 ( -1.317 0.000 4.512) 4.700 26.478 ( -7.178 0.000 -4.448) 8.445 28.227 ( 9.580 0.000 6.350) 11.493 28.304 ( 9.169 0.000 -1.139) 9.239 28.447 ( -9.954 0.000 5.537) 11.390 28.453 ( 2.795 0.000 9.275) 9.687 28.513 ( -9.382 0.000 -0.907) 9.426 28.559 ( -6.998 0.000 -0.276) 7.003 29.022 ( 6.379 0.000 0.408) 6.392 29.118 ( -2.655 0.000 -8.084) 8.509 34.965 ( 0.594 0.000 0.262) 0.649 34.975 ( -0.097 0.000 -0.566) 0.575 35.021 ( -0.090 0.000 -0.684) 0.690 35.031 ( -0.796 0.000 -1.503) 1.701 35.082 ( 0.116 0.000 -0.295) 0.317 35.087 ( -0.418 0.000 -0.825) 0.925 35.480 ( 1.826 0.000 3.833) 4.246 35.514 ( -1.489 0.000 0.506) 1.573 36.065 ( 2.570 0.000 1.129) 2.807 36.100 ( -0.799 0.000 -2.350) 2.482 36.100 ( 2.857 0.000 3.426) 4.461 36.132 ( -0.027 0.000 0.288) 0.289 37.406 ( 3.292 0.000 2.406) 4.078 37.501 ( -5.714 0.000 -7.085) 9.102 38.036 ( 2.198 0.000 0.759) 2.325 38.095 ( -3.425 0.000 -5.077) 6.125 38.590 ( 1.614 0.000 -1.074) 1.939 38.615 ( -0.896 0.000 -3.596) 3.706 38.781 ( 1.672 0.000 -0.006) 1.672 38.818 ( -1.873 0.000 -3.660) 4.111 ======================= Grid point 130 (49/54) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 20.052 -2.529) 20.211 2.502 ( 0.000 19.958 -3.308) 20.231 3.009 ( 0.000 -1.046 1.297) 1.666 3.022 ( 0.000 -2.365 -0.669) 2.458 3.094 ( 0.000 -4.028 0.059) 4.029 3.095 ( 0.000 -3.384 -0.378) 3.405 3.273 ( 0.000 -0.826 -0.382) 0.910 3.281 ( 0.000 0.952 -1.314) 1.623 3.458 ( 0.000 1.326 3.352) 3.605 3.467 ( 0.000 -0.784 4.511) 4.578 3.481 ( 0.000 3.040 1.543) 3.409 3.529 ( 0.000 -0.405 -1.562) 1.613 3.828 ( 0.000 9.705 -4.017) 10.504 3.848 ( 0.000 15.857 -6.172) 17.016 4.207 ( 0.000 8.162 6.934) 10.710 4.324 ( 0.000 0.514 -6.176) 6.198 4.672 ( 0.000 -0.852 1.574) 1.790 4.673 ( 0.000 1.271 2.346) 2.668 4.776 ( 0.000 0.766 16.979) 16.996 5.056 ( 0.000 1.075 22.565) 22.591 5.074 ( 0.000 -8.238 -7.987) 11.474 5.274 ( 0.000 -15.771 2.203) 15.924 5.547 ( 0.000 -18.071 0.128) 18.072 5.620 ( 0.000 -6.137 -13.791) 15.095 6.287 ( 0.000 8.487 3.784) 9.292 6.320 ( 0.000 2.107 -0.322) 2.132 6.321 ( 0.000 2.583 5.955) 6.491 6.465 ( 0.000 -2.628 -4.791) 5.464 6.978 ( 0.000 16.991 -1.049) 17.024 6.997 ( 0.000 9.090 -1.069) 9.153 7.625 ( 0.000 -12.132 4.127) 12.815 7.630 ( 0.000 -8.127 0.514) 8.143 8.119 ( 0.000 0.023 18.169) 18.169 8.299 ( 0.000 4.735 0.373) 4.749 8.531 ( 0.000 -3.392 -0.936) 3.518 8.699 ( 0.000 -17.712 -9.579) 20.136 8.983 ( 0.000 -21.017 5.369) 21.692 9.147 ( 0.000 -20.088 -0.749) 20.102 9.266 ( 0.000 2.586 19.074) 19.249 9.314 ( 0.000 -1.099 12.966) 13.012 9.735 ( 0.000 7.709 10.685) 13.175 9.763 ( 0.000 13.184 9.661) 16.345 9.972 ( 0.000 7.116 22.827) 23.910 10.216 ( 0.000 10.374 10.538) 14.787 10.238 ( 0.000 10.267 8.601) 13.393 10.290 ( 0.000 -5.864 -10.023) 11.612 10.431 ( 0.000 4.649 -5.806) 7.438 10.528 ( 0.000 -0.246 8.348) 8.351 10.685 ( 0.000 13.591 -1.114) 13.637 10.914 ( 0.000 7.119 -3.364) 7.873 10.938 ( 0.000 -8.779 -1.313) 8.877 10.956 ( 0.000 4.626 -9.912) 10.938 11.267 ( 0.000 -3.137 -6.546) 7.259 11.360 ( 0.000 -11.289 -3.671) 11.871 11.588 ( 0.000 -16.104 -1.824) 16.207 11.601 ( 0.000 -14.891 -7.481) 16.664 11.858 ( 0.000 6.299 5.015) 8.051 11.974 ( 0.000 3.001 7.403) 7.988 12.117 ( 0.000 0.987 7.573) 7.637 12.135 ( 0.000 1.762 -9.100) 9.269 12.326 ( 0.000 5.981 -6.197) 8.612 12.489 ( 0.000 -1.467 -19.076) 19.133 12.534 ( 0.000 2.982 -13.078) 13.414 12.557 ( 0.000 -1.174 -13.594) 13.644 12.883 ( 0.000 15.439 -2.812) 15.693 12.911 ( 0.000 14.036 -4.845) 14.849 13.294 ( 0.000 -3.002 0.339) 3.021 13.295 ( 0.000 -2.367 0.107) 2.370 13.516 ( 0.000 0.573 10.061) 10.077 13.698 ( 0.000 -7.492 -7.130) 10.343 13.854 ( 0.000 -9.423 -0.301) 9.428 13.868 ( 0.000 -8.310 -2.431) 8.658 14.366 ( 0.000 5.883 6.128) 8.495 14.487 ( 0.000 5.019 -5.898) 7.745 14.703 ( 0.000 -2.519 3.407) 4.237 14.745 ( 0.000 -0.779 -0.839) 1.145 15.665 ( 0.000 9.759 4.081) 10.578 15.787 ( 0.000 4.068 -8.171) 9.128 16.096 ( 0.000 1.726 0.272) 1.747 16.123 ( 0.000 0.903 -3.814) 3.919 16.301 ( 0.000 -1.364 14.358) 14.422 16.680 ( 0.000 -9.409 5.661) 10.980 16.704 ( 0.000 -5.349 -13.113) 14.162 17.135 ( 0.000 -17.807 -25.903) 31.433 18.215 ( 0.000 6.272 4.491) 7.714 18.264 ( 0.000 1.019 1.684) 1.968 18.728 ( 0.000 13.536 10.133) 16.908 18.965 ( 0.000 3.646 -12.762) 13.273 19.813 ( 0.000 -6.101 14.130) 15.391 19.854 ( 0.000 -5.389 5.447) 7.662 20.170 ( 0.000 7.387 -2.476) 7.791 20.332 ( 0.000 0.149 -15.102) 15.103 21.840 ( 0.000 15.453 4.510) 16.097 21.902 ( 0.000 14.378 -1.571) 14.464 22.646 ( 0.000 4.403 12.849) 13.582 22.844 ( 0.000 -13.451 8.200) 15.753 22.854 ( 0.000 2.130 -5.678) 6.064 22.982 ( 0.000 -27.708 -4.204) 28.026 23.059 ( 0.000 -19.980 2.683) 20.160 23.172 ( 0.000 -8.689 -7.566) 11.522 24.512 ( 0.000 23.993 2.858) 24.163 24.545 ( 0.000 23.813 -0.693) 23.823 25.150 ( 0.000 2.999 8.366) 8.888 25.227 ( 0.000 -0.953 2.033) 2.245 25.266 ( 0.000 0.720 2.759) 2.851 25.333 ( 0.000 0.941 -2.401) 2.579 25.337 ( 0.000 2.306 -2.222) 3.202 25.353 ( 0.000 2.394 -8.228) 8.569 25.497 ( 0.000 -2.536 0.969) 2.715 25.512 ( 0.000 -2.663 -0.117) 2.666 25.776 ( 0.000 -15.061 1.268) 15.114 25.787 ( 0.000 -10.370 0.417) 10.378 26.170 ( 0.000 5.109 2.739) 5.797 26.209 ( 0.000 5.938 -1.228) 6.064 26.580 ( 0.000 -1.625 2.157) 2.701 26.637 ( 0.000 -3.034 -4.062) 5.070 28.094 ( 0.000 6.512 7.061) 9.605 28.146 ( 0.000 7.275 2.019) 7.550 28.501 ( 0.000 -9.464 8.255) 12.558 28.528 ( 0.000 -7.209 4.496) 8.496 28.726 ( 0.000 1.818 2.543) 3.126 28.752 ( 0.000 2.111 0.076) 2.112 28.879 ( 0.000 -0.607 1.411) 1.536 29.016 ( 0.000 -5.029 -10.969) 12.067 34.973 ( 0.000 0.889 -0.508) 1.024 34.980 ( 0.000 1.258 -1.266) 1.785 35.026 ( 0.000 -1.000 -0.832) 1.300 35.030 ( 0.000 -0.518 -1.224) 1.330 35.156 ( 0.000 5.656 2.009) 6.002 35.201 ( 0.000 7.969 -2.527) 8.360 35.395 ( 0.000 -3.179 5.997) 6.788 35.510 ( 0.000 -3.789 -5.701) 6.845 35.991 ( 0.000 1.364 6.504) 6.645 36.014 ( 0.000 0.832 5.577) 5.638 36.093 ( 0.000 0.293 -2.611) 2.627 36.099 ( 0.000 -0.092 -4.682) 4.683 37.404 ( 0.000 4.333 12.096) 12.848 37.681 ( 0.000 1.123 -15.017) 15.058 37.848 ( 0.000 -11.251 5.605) 12.570 38.042 ( 0.000 -11.475 -12.805) 17.194 38.571 ( 0.000 1.818 1.006) 2.078 38.601 ( 0.000 -0.746 -1.469) 1.647 38.862 ( 0.000 7.213 0.347) 7.222 38.920 ( 0.000 3.700 -5.124) 6.320 ======================= Grid point 131 (50/54) ======================= q-point: ( 0.20 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -1.594 19.524 -1.692) 19.662 2.487 ( -1.627 18.348 -2.791) 18.630 3.008 ( -0.556 -3.789 0.432) 3.853 3.010 ( -0.325 -3.641 0.286) 3.666 3.109 ( 1.772 -1.350 0.142) 2.233 3.124 ( 2.180 -2.391 -1.426) 3.536 3.258 ( -1.127 -0.519 -0.426) 1.312 3.267 ( -1.181 -0.066 -1.252) 1.722 3.454 ( -0.396 1.835 2.635) 3.236 3.471 ( -0.060 -0.999 2.258) 2.470 3.474 ( -0.373 3.234 2.466) 4.084 3.520 ( -0.945 -0.459 -1.196) 1.592 3.860 ( 3.592 10.229 -2.517) 11.130 3.890 ( 4.074 14.701 -5.280) 16.143 4.187 ( -0.704 8.336 4.629) 9.561 4.275 ( -3.945 3.020 -4.702) 6.841 4.529 ( -11.460 8.138 7.890) 16.119 4.642 ( -7.042 4.753 -3.912) 9.353 4.873 ( 7.383 -9.356 17.553) 21.217 4.950 ( 0.342 -12.695 10.468) 16.458 5.138 ( -0.852 -10.231 -2.604) 10.592 5.277 ( 12.956 -9.595 -15.753) 22.541 5.751 ( 13.194 -3.229 14.324) 19.740 5.986 ( 15.377 -11.660 -1.908) 19.392 6.265 ( -3.960 -1.750 0.536) 4.362 6.300 ( -0.063 -2.642 -0.061) 2.643 6.505 ( 21.421 3.041 7.816) 23.005 6.710 ( 21.608 4.969 -3.718) 22.482 7.003 ( 7.409 10.423 2.267) 12.987 7.071 ( 5.074 15.586 -3.153) 16.691 7.272 ( -17.162 0.269 4.583) 17.765 7.385 ( -17.466 -6.405 -5.366) 19.362 8.288 ( 4.688 -1.811 11.658) 12.695 8.427 ( 5.854 0.591 -1.508) 6.074 8.589 ( 0.373 -4.008 5.525) 6.836 8.814 ( 7.348 -16.251 3.978) 18.273 8.861 ( -12.940 -14.604 -7.102) 20.765 8.942 ( -22.128 -2.913 8.124) 23.751 9.060 ( -7.324 -13.381 1.870) 15.368 9.100 ( -16.728 -8.728 4.044) 19.296 9.736 ( -5.590 12.740 19.489) 23.945 9.770 ( 4.273 9.168 18.043) 20.684 9.957 ( -5.399 3.784 19.238) 20.337 10.017 ( -14.641 1.921 15.682) 21.540 10.184 ( -1.410 11.547 5.299) 12.783 10.362 ( 8.591 2.864 15.508) 17.959 10.425 ( -3.057 3.459 -10.297) 11.284 10.599 ( 0.498 13.543 -5.957) 14.803 10.718 ( 2.908 0.363 8.901) 9.371 10.838 ( -5.781 -0.673 -8.806) 10.555 10.877 ( -0.482 2.864 -2.725) 3.982 10.980 ( -0.926 -5.063 -5.479) 7.517 11.062 ( -9.423 -0.720 -2.845) 9.869 11.306 ( -7.424 -14.274 -5.268) 16.930 11.386 ( -8.747 -17.314 -7.846) 20.925 11.538 ( -6.500 -13.563 -19.497) 24.624 11.917 ( 4.950 13.000 2.135) 14.074 12.124 ( 3.350 4.099 -12.693) 13.753 12.235 ( 11.366 3.721 10.013) 15.598 12.330 ( 14.270 -2.478 1.598) 14.572 12.497 ( 14.070 5.940 -0.828) 15.295 12.609 ( 10.612 4.950 -4.477) 12.537 12.676 ( 12.674 0.874 -17.353) 21.506 12.695 ( 11.127 0.693 -12.817) 16.987 12.918 ( 4.170 9.154 -2.211) 10.300 12.920 ( 1.904 11.700 -3.022) 12.233 13.271 ( -1.724 -2.240 1.133) 3.046 13.295 ( -0.630 -1.966 -1.627) 2.629 13.441 ( -6.931 1.195 8.314) 10.890 13.600 ( -8.847 -6.246 -5.838) 12.303 13.760 ( -9.504 -6.633 -0.884) 11.623 13.800 ( -5.886 -9.047 -4.038) 11.524 14.391 ( 1.974 3.459 4.201) 5.789 14.464 ( -1.315 4.200 -3.103) 5.385 14.685 ( -1.771 -3.516 3.415) 5.212 14.720 ( -2.608 -3.319 -0.075) 4.222 15.729 ( 5.028 8.530 1.217) 9.976 15.812 ( 2.040 4.644 -6.873) 8.542 16.081 ( -0.996 1.222 -1.292) 2.038 16.110 ( -1.205 0.168 -4.482) 4.644 16.432 ( 12.477 -0.037 13.185) 18.152 16.774 ( 8.251 -1.953 -13.564) 15.996 16.828 ( 11.681 -12.689 9.082) 19.491 17.224 ( 7.537 -19.218 -21.945) 30.129 18.089 ( -9.875 7.850 2.658) 12.892 18.128 ( -11.844 2.323 2.338) 12.294 18.521 ( -18.020 13.550 6.692) 23.518 18.760 ( -18.011 2.492 -14.796) 23.442 19.958 ( 12.624 -6.081 11.622) 18.205 19.975 ( 11.448 -4.835 7.062) 14.294 20.309 ( 10.459 5.396 -1.841) 11.912 20.412 ( 5.488 0.635 -9.892) 11.330 21.661 ( -13.937 16.870 6.863) 22.933 21.780 ( -11.546 16.079 -4.965) 20.408 22.523 ( -7.935 -4.957 9.649) 13.440 22.696 ( -10.676 -6.618 -7.566) 14.663 22.946 ( 6.569 -7.161 8.767) 13.088 23.085 ( 4.796 -21.328 3.170) 22.089 23.095 ( 3.157 -11.838 -4.271) 12.975 23.181 ( 0.504 -11.355 -5.164) 12.485 24.534 ( 2.023 24.145 2.599) 24.368 24.565 ( 1.679 23.638 -0.653) 23.707 25.177 ( 2.071 1.337 7.241) 7.649 25.211 ( -0.797 -2.400 3.546) 4.355 25.302 ( 3.079 0.563 4.419) 5.415 25.358 ( 1.785 0.930 -1.460) 2.486 25.384 ( 3.684 1.965 -4.414) 6.076 25.426 ( 5.668 1.847 -7.528) 9.602 25.498 ( 2.207 -1.345 3.095) 4.033 25.550 ( 2.745 -2.606 -1.847) 4.212 25.775 ( 0.305 -10.630 3.056) 11.064 25.822 ( 1.662 -9.097 -1.732) 9.409 26.156 ( -1.173 4.004 2.288) 4.758 26.194 ( -0.628 4.482 -1.278) 4.703 26.490 ( -7.657 -1.766 4.042) 8.837 26.575 ( -5.979 -3.810 -4.802) 8.563 28.131 ( 4.149 5.269 7.974) 10.420 28.217 ( 6.118 7.422 -0.375) 9.626 28.410 ( -2.453 -5.256 12.710) 13.971 28.612 ( -0.169 -6.694 -7.190) 9.825 28.653 ( -6.587 1.958 3.721) 7.815 28.716 ( -3.181 2.769 -1.793) 4.583 28.839 ( -0.332 -2.920 9.311) 9.764 29.043 ( 0.788 -6.929 -10.747) 12.812 34.975 ( 0.240 1.001 -0.394) 1.102 34.983 ( 0.226 1.093 -1.215) 1.650 35.025 ( -0.070 -0.891 -0.857) 1.238 35.029 ( -0.080 -0.344 -1.294) 1.341 35.153 ( -0.230 5.962 1.710) 6.207 35.189 ( -1.003 7.915 -2.047) 8.237 35.406 ( 1.057 -3.682 5.390) 6.613 35.498 ( -1.146 -4.023 -3.778) 5.637 36.024 ( 2.841 1.538 4.732) 5.730 36.048 ( 2.945 0.917 4.736) 5.652 36.106 ( 0.770 0.306 -3.155) 3.262 36.116 ( 1.586 0.253 -2.483) 2.957 37.407 ( 0.536 4.206 9.401) 10.313 37.637 ( -4.247 2.373 -13.540) 14.388 37.842 ( -0.182 -12.824 5.139) 13.817 38.001 ( -3.585 -12.191 -10.664) 16.588 38.604 ( 2.987 2.794 0.503) 4.121 38.638 ( 3.138 0.633 -2.527) 4.078 38.842 ( -1.800 6.165 0.350) 6.432 38.896 ( -2.254 3.136 -4.728) 6.105 ======================= Grid point 132 (51/54) ======================= q-point: ( 0.40 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -0.866 18.259 -0.865) 18.300 2.450 ( -1.483 17.545 -1.208) 17.649 3.000 ( -0.005 -5.736 0.592) 5.767 3.005 ( -0.339 -5.436 0.341) 5.458 3.154 ( 2.106 0.658 -0.978) 2.413 3.165 ( 1.309 -0.116 -2.021) 2.411 3.237 ( -0.738 -1.249 -0.675) 1.600 3.242 ( -1.120 -1.651 -0.939) 2.205 3.446 ( -0.187 2.357 1.349) 2.722 3.454 ( -0.905 2.611 0.605) 2.829 3.479 ( 0.422 -0.713 1.678) 1.872 3.496 ( -1.217 -0.799 -0.127) 1.462 3.978 ( 7.382 8.852 -0.045) 11.526 4.003 ( 6.239 10.104 -2.260) 12.088 4.163 ( -3.745 5.762 -0.038) 6.872 4.179 ( -5.780 3.878 -0.980) 7.029 4.354 ( -2.281 16.823 2.512) 17.161 4.438 ( -9.081 13.824 -5.673) 17.486 4.975 ( 5.247 -15.931 7.621) 18.423 5.036 ( 1.308 -15.031 3.442) 15.476 5.333 ( 15.979 -8.419 10.290) 20.786 5.551 ( 14.129 -11.890 -11.545) 21.778 5.689 ( -12.892 -8.231 16.386) 22.416 5.943 ( -17.909 -13.811 -9.093) 24.375 6.299 ( 12.134 4.498 10.819) 16.867 6.489 ( 10.303 -5.490 0.548) 11.687 6.659 ( -14.619 10.877 5.928) 19.161 6.856 ( -16.111 -1.594 -4.964) 16.934 7.199 ( 35.013 9.622 6.176) 36.833 7.415 ( 36.649 1.192 -9.363) 37.845 7.500 ( 31.893 7.735 4.306) 33.099 7.620 ( 28.320 9.559 -5.333) 30.362 8.014 ( -34.360 3.023 15.209) 37.697 8.170 ( -27.991 7.354 5.223) 29.409 8.272 ( -26.820 5.528 -3.717) 27.635 8.302 ( -33.565 0.835 -11.009) 35.334 8.790 ( 3.105 -17.825 6.958) 19.385 8.846 ( -4.245 -17.694 5.210) 18.927 9.003 ( 6.508 -23.480 0.073) 24.365 9.061 ( 0.953 -22.372 -1.258) 22.427 9.642 ( -1.548 10.380 19.517) 22.160 9.696 ( -7.339 12.746 13.767) 20.145 9.871 ( -0.593 2.966 22.014) 22.221 9.886 ( -1.025 -3.492 25.721) 25.978 10.213 ( 2.294 14.113 13.347) 19.560 10.291 ( -5.759 11.144 7.894) 14.821 10.499 ( 3.336 9.910 15.354) 18.576 10.558 ( -4.278 10.226 11.195) 15.754 10.737 ( 2.652 0.597 -5.380) 6.028 10.810 ( 3.069 -5.085 -13.050) 14.338 10.838 ( -5.401 -1.232 -4.810) 7.337 10.921 ( -5.184 -6.040 -7.847) 11.177 11.061 ( 8.413 -11.768 -9.325) 17.211 11.195 ( -2.817 -12.291 -7.009) 14.426 11.300 ( -1.265 -12.870 -15.540) 20.217 11.367 ( -8.552 -10.693 -24.763) 28.297 12.042 ( 6.256 14.039 -0.689) 15.386 12.131 ( -2.059 10.353 -6.100) 12.192 12.444 ( 7.786 5.492 0.713) 9.555 12.507 ( 1.833 5.679 -4.742) 7.622 12.733 ( 9.185 2.570 3.168) 10.050 12.811 ( 1.730 4.995 -4.290) 6.808 12.899 ( 10.882 3.365 -1.531) 11.493 12.981 ( 15.556 4.344 -9.560) 18.769 12.996 ( 4.662 3.282 1.702) 5.950 13.068 ( 4.034 0.558 -6.297) 7.499 13.211 ( -7.293 -2.363 4.957) 9.129 13.259 ( 1.746 -2.391 0.994) 3.123 13.367 ( -0.109 0.553 -2.769) 2.825 13.377 ( -7.166 -1.174 -6.113) 9.492 13.535 ( -10.411 -5.258 0.596) 11.679 13.620 ( -11.064 -6.912 -7.211) 14.906 14.433 ( 1.927 1.362 1.998) 3.092 14.454 ( -0.139 1.882 -0.096) 1.890 14.643 ( -1.559 -5.953 2.693) 6.718 14.656 ( -2.803 -6.597 1.492) 7.322 15.820 ( 3.254 7.091 -2.005) 8.055 15.846 ( 0.660 6.078 -4.455) 7.564 16.068 ( -0.101 -0.010 -3.977) 3.978 16.082 ( -1.345 -0.546 -5.182) 5.381 16.751 ( 16.373 0.046 7.549) 18.030 16.930 ( 2.333 -0.611 -9.872) 10.163 17.109 ( 14.097 -17.243 14.326) 26.482 17.312 ( -2.973 -20.453 -4.677) 21.191 17.913 ( -3.979 9.284 2.165) 10.330 17.992 ( 2.714 8.351 -8.850) 12.467 18.127 ( -15.235 12.703 -0.702) 19.848 18.339 ( -21.056 2.494 -17.023) 27.191 20.241 ( 13.166 -4.683 7.937) 16.071 20.257 ( 13.914 -4.658 6.264) 15.954 20.434 ( -1.655 -1.381 2.170) 3.059 20.459 ( -1.943 -1.687 0.126) 2.576 21.433 ( -4.672 22.872 3.071) 23.545 21.522 ( -11.278 21.382 -5.278) 24.744 22.418 ( -1.094 -9.424 2.957) 9.937 22.494 ( -7.973 -9.525 -4.412) 13.181 23.060 ( 4.297 -4.500 4.013) 7.404 23.114 ( -0.834 -6.175 -0.389) 6.244 23.165 ( 2.241 -17.532 -0.003) 17.674 23.187 ( -0.052 -17.335 -1.159) 17.374 24.579 ( 1.931 24.360 1.524) 24.484 24.594 ( 0.638 24.027 0.014) 24.035 25.199 ( 0.086 -5.841 4.636) 7.458 25.204 ( -0.126 -4.665 4.505) 6.486 25.365 ( 2.668 2.045 5.956) 6.840 25.387 ( 0.737 3.247 4.963) 5.976 25.470 ( 4.211 2.724 -4.696) 6.871 25.511 ( 1.216 1.811 -6.757) 7.100 25.578 ( 4.050 -0.863 0.622) 4.187 25.607 ( 1.707 -0.899 -2.051) 2.815 25.777 ( 0.541 -5.840 1.991) 6.193 25.817 ( -2.173 -5.227 -2.360) 6.133 26.148 ( 1.487 2.501 3.177) 4.308 26.200 ( -0.769 1.083 -2.499) 2.830 26.351 ( -2.599 -3.491 4.522) 6.276 26.428 ( -7.303 -4.592 -3.596) 9.346 28.263 ( 8.441 3.179 7.053) 11.450 28.356 ( 5.873 3.712 -1.416) 7.090 28.424 ( 1.857 -1.949 7.374) 7.850 28.498 ( -5.517 4.393 6.128) 9.343 28.517 ( -6.253 -0.850 0.769) 6.357 28.601 ( -7.616 6.110 -2.997) 10.213 28.917 ( 5.683 -9.544 1.629) 11.227 29.016 ( -3.478 -9.235 -7.270) 12.257 34.981 ( 0.331 1.073 -0.387) 1.187 34.986 ( -0.028 0.994 -0.820) 1.289 35.024 ( 0.066 -0.599 -1.046) 1.207 35.027 ( -0.125 -0.294 -1.286) 1.325 35.152 ( 0.303 6.714 0.699) 6.757 35.167 ( -1.071 7.484 -0.789) 7.602 35.435 ( 1.656 -4.330 3.241) 5.657 35.469 ( -1.625 -4.392 -0.108) 4.684 36.083 ( 2.435 1.636 1.571) 3.328 36.105 ( 1.191 0.980 1.084) 1.886 36.119 ( 1.184 0.972 0.409) 1.586 36.140 ( 0.206 0.448 0.035) 0.494 37.440 ( 3.027 3.834 2.067) 5.304 37.530 ( -5.487 3.338 -6.925) 9.445 37.857 ( 1.923 -13.911 0.659) 14.059 37.919 ( -3.976 -13.425 -5.523) 15.052 38.674 ( 3.428 5.297 -0.807) 6.361 38.701 ( 1.931 4.915 -3.463) 6.315 38.803 ( -1.072 2.119 -0.074) 2.376 38.837 ( -3.226 1.384 -3.404) 4.889 ======================= Grid point 135 (52/54) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 0.000 -2.034 -0.752) 2.169 2.834 ( 0.000 2.035 -0.752) 2.169 2.897 ( 0.000 -1.798 -1.611) 2.414 2.897 ( 0.000 1.798 -1.611) 2.414 3.062 ( 0.000 -0.120 0.604) 0.615 3.062 ( 0.000 0.120 0.604) 0.615 3.278 ( 0.000 -0.851 0.214) 0.877 3.278 ( 0.000 0.851 0.214) 0.877 3.458 ( 0.000 -0.511 1.928) 1.995 3.458 ( 0.000 0.511 1.928) 1.995 3.525 ( 0.000 -0.681 0.415) 0.798 3.525 ( 0.000 0.681 0.415) 0.798 4.063 ( 0.000 -6.592 -1.231) 6.706 4.063 ( 0.000 6.592 -1.231) 6.706 4.307 ( 0.000 -2.550 -4.256) 4.962 4.307 ( 0.000 2.550 -4.256) 4.962 4.631 ( 0.000 -1.326 3.143) 3.411 4.631 ( 0.000 1.326 3.143) 3.411 4.871 ( 0.000 -7.947 11.890) 14.301 4.871 ( 0.000 7.947 11.890) 14.301 5.084 ( 0.000 -2.192 5.112) 5.562 5.084 ( 0.000 2.192 5.112) 5.562 5.452 ( 0.000 -8.926 -5.514) 10.492 5.452 ( 0.000 8.926 -5.514) 10.492 6.290 ( 0.000 -2.222 0.905) 2.399 6.290 ( 0.000 2.222 0.905) 2.399 6.442 ( 0.000 -1.260 -3.750) 3.956 6.442 ( 0.000 1.260 -3.750) 3.956 7.160 ( 0.000 -1.502 7.885) 8.027 7.160 ( 0.000 1.502 7.885) 8.027 7.479 ( 0.000 -3.648 3.155) 4.822 7.479 ( 0.000 3.648 3.154) 4.823 8.383 ( 0.000 -17.731 -3.344) 18.044 8.383 ( 0.000 17.731 -3.344) 18.044 8.424 ( 0.000 -5.166 -2.854) 5.903 8.424 ( 0.000 5.167 -2.854) 5.903 8.758 ( 0.000 -10.093 5.132) 11.323 8.758 ( 0.000 10.093 5.132) 11.323 9.296 ( 0.000 -0.867 13.021) 13.050 9.296 ( 0.000 0.867 13.021) 13.050 9.869 ( 0.000 -3.427 25.797) 26.024 9.869 ( 0.000 3.427 25.797) 26.024 10.109 ( 0.000 -9.488 6.688) 11.609 10.109 ( 0.000 9.488 6.688) 11.609 10.346 ( 0.000 -1.832 7.383) 7.607 10.346 ( 0.000 1.832 7.383) 7.607 10.565 ( 0.000 -2.077 -18.636) 18.751 10.565 ( 0.000 2.077 -18.636) 18.751 10.811 ( 0.000 -0.669 6.780) 6.813 10.811 ( 0.000 0.669 6.780) 6.813 11.094 ( 0.000 -7.313 -8.565) 11.262 11.094 ( 0.000 7.313 -8.565) 11.262 11.229 ( 0.000 -8.758 2.203) 9.031 11.229 ( 0.000 8.758 2.203) 9.031 11.316 ( 0.000 -1.455 -3.879) 4.143 11.316 ( 0.000 1.455 -3.879) 4.143 11.988 ( 0.000 -3.075 4.381) 5.353 11.988 ( 0.000 3.075 4.381) 5.353 12.141 ( 0.000 -1.478 0.740) 1.653 12.141 ( 0.000 1.478 0.740) 1.653 12.423 ( 0.000 -4.221 -15.219) 15.794 12.423 ( 0.000 4.221 -15.219) 15.794 12.566 ( 0.000 -0.160 -15.373) 15.374 12.566 ( 0.000 0.160 -15.373) 15.374 13.108 ( 0.000 -0.290 -2.219) 2.238 13.108 ( 0.000 0.290 -2.219) 2.238 13.245 ( 0.000 -0.297 -0.071) 0.306 13.245 ( 0.000 0.297 -0.071) 0.306 13.550 ( 0.000 -4.531 1.302) 4.714 13.550 ( 0.000 4.531 1.302) 4.714 13.742 ( 0.000 -1.174 -1.212) 1.687 13.742 ( 0.000 1.174 -1.212) 1.687 14.544 ( 0.000 -10.334 5.241) 11.587 14.544 ( 0.000 10.334 5.241) 11.587 14.642 ( 0.000 -8.058 -3.777) 8.899 14.642 ( 0.000 8.058 -3.777) 8.899 15.856 ( 0.000 -2.519 -4.590) 5.236 15.856 ( 0.000 2.519 -4.590) 5.236 16.125 ( 0.000 -0.831 -1.930) 2.101 16.125 ( 0.000 0.831 -1.930) 2.101 16.356 ( 0.000 -10.954 19.388) 22.268 16.356 ( 0.000 10.954 19.388) 22.268 16.813 ( 0.000 -11.233 -26.133) 28.445 16.813 ( 0.000 11.233 -26.133) 28.445 18.287 ( 0.000 -0.389 3.379) 3.402 18.287 ( 0.000 0.389 3.379) 3.402 18.955 ( 0.000 -6.482 -1.913) 6.759 18.955 ( 0.000 6.482 -1.913) 6.759 19.759 ( 0.000 -1.947 8.665) 8.882 19.759 ( 0.000 1.947 8.665) 8.882 20.293 ( 0.000 -4.191 -7.216) 8.345 20.293 ( 0.000 4.191 -7.216) 8.345 22.241 ( 0.000 -7.322 2.089) 7.615 22.241 ( 0.000 7.322 2.089) 7.615 22.412 ( 0.000 -6.651 0.373) 6.661 22.412 ( 0.000 6.651 0.373) 6.661 22.798 ( 0.000 -6.986 10.159) 12.329 22.798 ( 0.000 6.986 10.159) 12.329 23.021 ( 0.000 -7.074 -8.668) 11.188 23.021 ( 0.000 7.074 -8.668) 11.188 24.816 ( 0.000 -1.731 3.304) 3.730 24.816 ( 0.000 1.731 3.304) 3.730 25.244 ( 0.000 -2.063 1.284) 2.430 25.244 ( 0.000 2.063 1.284) 2.430 25.312 ( 0.000 -10.265 1.662) 10.398 25.312 ( 0.000 10.265 1.662) 10.398 25.366 ( 0.000 -1.340 -2.219) 2.593 25.366 ( 0.000 1.340 -2.219) 2.593 25.463 ( 0.000 -0.760 0.741) 1.061 25.463 ( 0.000 0.760 0.741) 1.061 25.585 ( 0.000 -4.339 -2.653) 5.086 25.585 ( 0.000 4.339 -2.653) 5.086 26.255 ( 0.000 -1.812 2.178) 2.833 26.255 ( 0.000 1.812 2.178) 2.833 26.576 ( 0.000 -1.942 -1.481) 2.442 26.576 ( 0.000 1.942 -1.481) 2.442 28.278 ( 0.000 -10.890 8.335) 13.714 28.278 ( 0.000 10.890 8.335) 13.714 28.338 ( 0.000 -10.391 2.098) 10.600 28.338 ( 0.000 10.391 2.098) 10.600 28.764 ( 0.000 -1.366 2.634) 2.967 28.764 ( 0.000 1.366 2.634) 2.967 28.911 ( 0.000 -4.258 -5.456) 6.921 28.911 ( 0.000 4.258 -5.456) 6.921 34.986 ( 0.000 -0.431 -0.905) 1.003 34.986 ( 0.000 0.431 -0.905) 1.003 35.022 ( 0.000 -0.320 -1.305) 1.343 35.022 ( 0.000 0.320 -1.305) 1.343 35.278 ( 0.000 -4.912 4.312) 6.536 35.278 ( 0.000 4.912 4.312) 6.536 35.397 ( 0.000 -6.759 -4.898) 8.347 35.397 ( 0.000 6.759 -4.898) 8.347 36.018 ( 0.000 -0.783 5.488) 5.544 36.018 ( 0.000 0.783 5.488) 5.544 36.096 ( 0.000 -0.082 -2.588) 2.589 36.096 ( 0.000 0.082 -2.588) 2.589 37.553 ( 0.000 -10.205 8.576) 13.330 37.553 ( 0.000 10.205 8.576) 13.330 37.829 ( 0.000 -7.872 -13.862) 15.941 37.829 ( 0.000 7.873 -13.862) 15.941 38.593 ( 0.000 -0.497 -0.288) 0.574 38.593 ( 0.000 0.497 -0.288) 0.574 38.954 ( 0.000 -1.254 -2.329) 2.645 38.954 ( 0.000 1.254 -2.329) 2.645 ======================= Grid point 137 (53/54) ======================= q-point: ( 0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -1.177 -4.749 -0.207) 4.897 2.821 ( -1.177 4.749 -0.207) 4.897 2.855 ( -2.994 -4.898 -0.944) 5.818 2.855 ( -2.994 4.898 -0.944) 5.818 3.101 ( 3.053 -0.289 -0.447) 3.099 3.101 ( 3.053 0.289 -0.447) 3.099 3.259 ( -1.542 -0.677 -0.318) 1.714 3.259 ( -1.542 0.677 -0.318) 1.714 3.460 ( 0.135 -0.290 1.780) 1.809 3.460 ( 0.135 0.290 1.780) 1.809 3.516 ( -1.073 -0.575 0.066) 1.219 3.516 ( -1.073 0.576 0.066) 1.219 4.081 ( 2.020 -4.603 -1.040) 5.133 4.081 ( 2.020 4.603 -1.039) 5.133 4.315 ( -0.325 -1.167 -2.781) 3.034 4.315 ( -0.325 1.167 -2.781) 3.034 4.665 ( -0.068 -5.916 6.376) 8.699 4.665 ( -0.068 5.916 6.376) 8.699 4.739 ( -3.223 -3.191 9.764) 10.766 4.739 ( -3.223 3.191 9.764) 10.766 5.070 ( 1.161 -8.012 -9.981) 12.852 5.070 ( 1.161 8.012 -9.981) 12.852 5.767 ( 19.930 -6.213 10.992) 23.593 5.767 ( 19.930 6.213 10.992) 23.593 6.272 ( -10.767 -1.980 0.524) 10.960 6.272 ( -10.767 1.980 0.524) 10.960 6.615 ( 25.670 -9.675 -7.426) 28.420 6.615 ( 25.670 9.675 -7.426) 28.420 7.213 ( -5.582 -10.982 8.420) 14.922 7.213 ( -5.582 10.982 8.420) 14.922 7.312 ( 1.058 -5.251 0.959) 5.441 7.312 ( 1.058 5.251 0.959) 5.441 8.419 ( 0.369 -11.203 -2.859) 11.568 8.419 ( 0.369 11.203 -2.859) 11.568 8.508 ( 4.513 -4.005 -1.776) 6.290 8.508 ( 4.513 4.005 -1.776) 6.290 8.752 ( -1.005 -7.270 4.708) 8.719 8.752 ( -1.005 7.270 4.708) 8.719 8.994 ( -25.695 -3.232 6.147) 26.617 8.994 ( -25.695 3.232 6.147) 26.617 9.840 ( -4.591 -0.584 30.029) 30.383 9.840 ( -4.591 0.584 30.029) 30.383 10.076 ( -7.504 -2.511 10.046) 12.788 10.076 ( -7.504 2.511 10.046) 12.788 10.308 ( 2.660 -3.521 6.014) 7.459 10.308 ( 2.660 3.521 6.014) 7.459 10.597 ( 2.635 -10.556 -7.296) 13.100 10.597 ( 2.635 10.556 -7.296) 13.100 10.792 ( -4.850 -3.752 10.340) 12.022 10.792 ( -4.850 3.752 10.340) 12.022 10.993 ( -4.280 -13.526 -4.811) 14.981 10.993 ( -4.280 13.526 -4.811) 14.981 11.130 ( -9.591 -7.193 -6.817) 13.791 11.130 ( -9.591 7.193 -6.817) 13.791 11.200 ( -4.590 -18.588 -14.777) 24.185 11.200 ( -4.590 18.588 -14.777) 24.186 12.129 ( 10.052 -6.085 -4.701) 12.656 12.129 ( 10.052 6.085 -4.701) 12.656 12.278 ( 8.247 -2.872 3.471) 9.397 12.278 ( 8.247 2.872 3.471) 9.397 12.602 ( 15.701 -4.436 -7.141) 17.810 12.602 ( 15.701 4.436 -7.141) 17.810 12.697 ( 12.522 -0.710 -13.849) 18.684 12.697 ( 12.522 0.710 -13.849) 18.684 13.098 ( -1.111 -1.979 -0.757) 2.393 13.098 ( -1.111 1.979 -0.757) 2.393 13.238 ( -1.119 -2.345 -0.857) 2.736 13.238 ( -1.119 2.345 -0.857) 2.736 13.484 ( -5.750 -3.611 1.352) 6.924 13.484 ( -5.750 3.611 1.352) 6.924 13.663 ( -7.185 -1.042 -2.573) 7.702 13.663 ( -7.185 1.042 -2.573) 7.702 14.526 ( -1.617 -8.507 4.050) 9.560 14.526 ( -1.617 8.507 4.050) 9.560 14.603 ( -3.412 -6.732 -1.615) 7.718 14.603 ( -3.412 6.732 -1.615) 7.718 15.888 ( 2.959 -1.877 -4.510) 5.711 15.888 ( 2.959 1.877 -4.510) 5.711 16.092 ( -2.420 -0.927 -2.351) 3.499 16.092 ( -2.420 0.927 -2.351) 3.499 16.513 ( 13.473 -10.170 16.648) 23.709 16.513 ( 13.473 10.170 16.648) 23.709 16.895 ( 7.140 -10.890 -22.092) 25.644 16.895 ( 7.140 10.890 -22.092) 25.644 18.173 ( -9.151 -0.379 2.755) 9.564 18.173 ( -9.151 0.379 2.755) 9.564 18.736 ( -18.908 -6.159 -4.683) 20.430 18.736 ( -18.908 6.159 -4.683) 20.430 19.901 ( 12.600 -1.066 8.163) 15.051 19.901 ( 12.600 1.066 8.163) 15.051 20.390 ( 6.427 -2.631 -4.014) 8.021 20.390 ( 6.427 2.631 -4.014) 8.021 22.088 ( -10.508 -13.902 2.975) 17.678 22.088 ( -10.508 13.902 2.975) 17.678 22.310 ( -9.423 -14.991 -1.824) 17.800 22.310 ( -9.423 14.991 -1.824) 17.800 22.886 ( 6.280 -4.016 7.936) 10.888 22.886 ( 6.280 4.016 7.936) 10.888 23.040 ( 1.205 -4.939 -6.588) 8.322 23.040 ( 1.205 4.939 -6.588) 8.322 24.850 ( 3.264 -1.452 3.289) 4.856 24.850 ( 3.264 1.452 3.289) 4.856 25.190 ( -5.186 -1.630 0.962) 5.521 25.190 ( -5.186 1.630 0.962) 5.521 25.348 ( 4.231 -6.314 3.530) 8.381 25.348 ( 4.231 6.314 3.530) 8.381 25.408 ( 3.810 -1.106 -1.670) 4.305 25.408 ( 3.810 1.106 -1.670) 4.305 25.513 ( 4.165 -3.094 0.310) 5.198 25.513 ( 4.165 3.094 0.310) 5.198 25.645 ( 4.179 -5.075 -3.822) 7.605 25.645 ( 4.179 5.075 -3.822) 7.605 26.230 ( -1.944 -1.994 2.727) 3.898 26.230 ( -1.944 1.994 2.727) 3.898 26.493 ( -7.436 -2.969 -1.503) 8.147 26.493 ( -7.436 2.969 -1.503) 8.147 28.269 ( 1.038 -7.516 10.288) 12.783 28.269 ( 1.038 7.516 10.288) 12.783 28.418 ( 5.355 -10.886 -3.450) 12.613 28.418 ( 5.355 10.886 -3.450) 12.613 28.709 ( -4.442 -2.996 6.037) 8.071 28.709 ( -4.442 2.996 6.037) 8.071 28.887 ( -2.690 -7.049 -5.963) 9.617 28.887 ( -2.690 7.049 -5.963) 9.617 34.990 ( 0.393 -0.446 -0.905) 1.083 34.990 ( 0.393 0.446 -0.905) 1.083 35.021 ( -0.185 -0.392 -1.226) 1.301 35.021 ( -0.185 0.392 -1.226) 1.301 35.285 ( 0.717 -5.398 3.713) 6.591 35.285 ( 0.717 5.398 3.713) 6.591 35.379 ( -1.580 -6.829 -3.500) 7.834 35.379 ( -1.580 6.829 -3.500) 7.834 36.054 ( 3.034 -0.782 4.190) 5.232 36.054 ( 3.034 0.782 4.190) 5.232 36.113 ( 1.404 -0.413 -1.864) 2.370 36.113 ( 1.404 0.413 -1.864) 2.370 37.556 ( 0.446 -10.262 6.532) 12.173 37.556 ( 0.446 10.262 6.532) 12.173 37.776 ( -4.729 -8.313 -11.605) 15.038 37.776 ( -4.729 8.313 -11.605) 15.038 38.639 ( 4.131 -0.702 -0.883) 4.282 38.639 ( 4.131 0.702 -0.883) 4.282 38.925 ( -2.799 -1.191 -2.250) 3.784 38.925 ( -2.799 1.191 -2.250) 3.784 ======================= Grid point 139 (54/54) ======================= q-point: ( 0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.599 -12.033 0.371) 12.054 2.799 ( -0.599 12.033 0.371) 12.054 2.807 ( -1.451 -12.138 -0.266) 12.227 2.807 ( -1.451 12.138 -0.266) 12.227 3.166 ( 3.143 -0.188 -1.238) 3.384 3.166 ( 3.143 0.188 -1.238) 3.384 3.222 ( -2.241 -0.230 -1.043) 2.482 3.222 ( -2.241 0.230 -1.043) 2.482 3.465 ( 0.468 -0.127 1.006) 1.117 3.465 ( 0.468 0.127 1.006) 1.117 3.486 ( -1.572 -0.378 0.149) 1.624 3.486 ( -1.572 0.378 0.149) 1.624 4.147 ( 4.370 -1.802 -0.414) 4.745 4.147 ( 4.370 1.802 -0.414) 4.745 4.251 ( -5.328 -0.681 -0.118) 5.373 4.251 ( -5.328 0.681 -0.118) 5.373 4.661 ( 3.495 -13.163 5.404) 14.652 4.661 ( 3.495 13.163 5.404) 14.652 4.744 ( -2.520 -13.421 -0.443) 13.663 4.744 ( -2.520 13.421 -0.443) 13.663 5.247 ( 17.499 -8.481 0.058) 19.446 5.247 ( 17.499 8.481 0.058) 19.446 5.688 ( -22.289 -8.546 2.144) 23.967 5.688 ( -22.289 8.546 2.143) 23.967 6.405 ( 19.497 -5.094 5.473) 20.881 6.405 ( 19.497 5.094 5.473) 20.881 6.791 ( -17.355 -4.150 1.625) 17.918 6.791 ( -17.355 4.150 1.625) 17.918 7.367 ( 36.326 -4.550 -3.278) 36.756 7.367 ( 36.326 4.550 -3.278) 36.756 7.703 ( 25.829 -5.363 4.374) 26.740 7.703 ( 25.829 5.364 4.374) 26.740 8.189 ( -29.201 -10.760 0.803) 31.130 8.189 ( -29.201 10.760 0.803) 31.130 8.334 ( -22.916 -6.333 1.836) 23.846 8.334 ( -22.916 6.333 1.836) 23.846 8.635 ( -0.677 -7.236 -3.372) 8.012 8.635 ( -0.677 7.236 -3.372) 8.012 8.688 ( -4.237 -7.391 -0.370) 8.527 8.688 ( -4.237 7.391 -0.370) 8.527 9.771 ( 1.870 -3.691 25.619) 25.951 9.771 ( 1.870 3.691 25.619) 25.951 9.899 ( -8.543 -2.425 23.647) 25.259 9.899 ( -8.543 2.425 23.646) 25.259 10.418 ( 6.913 -0.685 17.243) 18.590 10.418 ( 6.913 0.685 17.243) 18.590 10.587 ( -9.077 -2.941 17.871) 20.258 10.587 ( -9.077 2.941 17.871) 20.258 10.730 ( 7.174 -5.691 -14.964) 17.543 10.730 ( 7.174 5.690 -14.964) 17.543 10.911 ( -9.206 -1.760 -18.964) 21.153 10.911 ( -9.206 1.760 -18.963) 21.153 11.034 ( 3.679 -9.278 -9.625) 13.866 11.034 ( 3.679 9.278 -9.625) 13.866 11.124 ( -4.179 -7.829 -11.189) 14.281 11.124 ( -4.179 7.829 -11.189) 14.281 12.319 ( 7.707 -6.751 -7.765) 12.856 12.319 ( 7.707 6.751 -7.765) 12.856 12.388 ( 1.575 -5.999 -3.324) 7.037 12.388 ( 1.575 5.999 -3.324) 7.037 12.888 ( 11.324 -5.462 1.255) 12.635 12.888 ( 11.324 5.462 1.255) 12.635 13.003 ( 9.985 -5.920 -6.985) 13.548 13.003 ( 9.985 5.920 -6.985) 13.548 13.065 ( 0.343 -2.658 0.804) 2.798 13.065 ( 0.343 2.658 0.804) 2.798 13.184 ( -4.052 -4.319 -3.238) 6.749 13.184 ( -4.052 4.319 -3.238) 6.749 13.377 ( -2.122 -0.883 -0.376) 2.329 13.377 ( -2.122 0.883 -0.376) 2.329 13.483 ( -9.693 -3.412 -3.952) 11.010 13.483 ( -9.693 3.412 -3.952) 11.010 14.499 ( -0.273 -3.974 2.278) 4.588 14.499 ( -0.273 3.974 2.278) 4.588 14.530 ( -3.133 -2.878 1.433) 4.489 14.530 ( -3.133 2.878 1.433) 4.489 15.961 ( 3.877 -1.145 -4.394) 5.971 15.961 ( 3.877 1.145 -4.394) 5.971 16.035 ( -3.276 -0.765 -3.843) 5.107 16.035 ( -3.276 0.765 -3.843) 5.107 16.822 ( 14.875 -8.424 9.244) 19.434 16.822 ( 14.875 8.424 9.244) 19.434 17.002 ( -0.447 -8.742 -7.046) 11.237 17.002 ( -0.447 8.742 -7.046) 11.237 18.060 ( 2.220 -2.998 -3.094) 4.847 18.060 ( 2.220 2.998 -3.094) 4.847 18.312 ( -19.960 -5.631 -7.607) 22.090 18.312 ( -19.960 5.631 -7.607) 22.090 20.198 ( 14.832 -0.706 6.336) 16.144 20.198 ( 14.832 0.706 6.336) 16.144 20.421 ( -5.216 -0.915 2.070) 5.686 20.421 ( -5.216 0.915 2.070) 5.686 21.965 ( 0.333 -16.047 0.259) 16.053 21.965 ( 0.333 16.047 0.259) 16.053 22.092 ( -10.395 -15.894 -2.050) 19.102 22.092 ( -10.395 15.894 -2.050) 19.102 22.993 ( 3.987 -1.655 3.032) 5.276 22.993 ( 3.987 1.655 3.032) 5.276 23.045 ( -1.059 -2.132 -2.090) 3.168 23.045 ( -1.059 2.132 -2.090) 3.168 24.942 ( 5.667 -0.878 2.970) 6.458 24.942 ( 5.667 0.878 2.970) 6.458 25.068 ( -6.436 -1.007 2.133) 6.855 25.068 ( -6.436 1.007 2.133) 6.855 25.448 ( 4.362 -3.962 3.365) 6.786 25.448 ( 4.362 3.962 3.365) 6.786 25.479 ( 1.781 -1.698 1.165) 2.723 25.479 ( 1.781 1.698 1.165) 2.723 25.609 ( 4.972 -4.477 -1.180) 6.794 25.609 ( 4.972 4.477 -1.180) 6.794 25.684 ( -1.255 -5.405 -4.267) 7.000 25.684 ( -1.255 5.405 -4.267) 7.000 26.218 ( 1.903 -3.067 2.010) 4.131 26.218 ( 1.903 3.067 2.010) 4.131 26.323 ( -7.945 -3.974 -0.681) 8.909 26.323 ( -7.945 3.974 -0.681) 8.910 28.339 ( 5.577 -3.768 7.962) 10.425 28.339 ( 5.577 3.768 7.962) 10.425 28.456 ( -3.836 -3.442 -1.355) 5.329 28.456 ( -3.836 3.442 -1.355) 5.329 28.678 ( 3.794 -10.555 3.543) 11.762 28.678 ( 3.794 10.555 3.543) 11.762 28.797 ( -6.011 -10.299 -4.467) 12.734 28.797 ( -6.011 10.299 -4.467) 12.734 35.001 ( 0.657 -0.445 -0.913) 1.210 35.001 ( 0.657 0.445 -0.913) 1.210 35.014 ( -0.524 -0.442 -1.040) 1.245 35.014 ( -0.524 0.442 -1.040) 1.245 35.307 ( 1.444 -6.313 1.904) 6.750 35.307 ( 1.444 6.313 1.904) 6.750 35.342 ( -1.908 -6.820 -0.746) 7.121 35.342 ( -1.908 6.820 -0.746) 7.121 36.115 ( 2.392 -0.877 1.939) 3.202 36.115 ( 2.392 0.877 1.939) 3.202 36.136 ( 0.350 -0.872 -0.136) 0.949 36.136 ( 0.350 0.872 -0.136) 0.949 37.584 ( 2.675 -10.090 0.926) 10.479 37.584 ( 2.675 10.090 0.926) 10.479 37.667 ( -5.250 -9.299 -6.052) 12.275 37.667 ( -5.250 9.299 -6.052) 12.275 38.741 ( 5.432 -0.897 -1.643) 5.746 38.741 ( 5.432 0.897 -1.643) 5.746 38.846 ( -4.754 -1.048 -2.039) 5.278 38.846 ( -4.754 1.048 -2.039) 5.278 =================== 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 3/31680 10.0 1367.081 1218.357 1757.304 0.000 0.000 0.000 3/31680 20.0 153.059 167.919 160.396 0.000 0.000 0.000 3/31680 30.0 57.190 63.590 60.191 0.000 0.000 0.000 3/31680 40.0 31.709 35.041 35.456 0.000 0.000 0.000 3/31680 50.0 21.632 23.693 25.710 0.000 0.000 0.000 3/31680 60.0 16.611 17.931 20.495 0.000 0.000 0.000 3/31680 70.0 13.734 14.531 17.226 0.000 0.000 0.000 3/31680 80.0 11.920 12.327 14.996 0.000 0.000 0.000 3/31680 90.0 10.682 10.801 13.385 0.000 0.000 0.000 3/31680 100.0 9.780 9.691 12.169 0.000 0.000 0.000 3/31680 110.0 9.082 8.846 11.214 0.000 0.000 0.000 3/31680 120.0 8.517 8.180 10.439 0.000 0.000 0.000 3/31680 130.0 8.042 7.637 9.792 0.000 0.000 0.000 3/31680 140.0 7.631 7.182 9.238 0.000 0.000 0.000 3/31680 150.0 7.268 6.792 8.756 0.000 0.000 0.000 3/31680 160.0 6.943 6.453 8.328 0.000 0.000 0.000 3/31680 170.0 6.648 6.152 7.945 0.000 0.000 0.000 3/31680 180.0 6.379 5.882 7.598 0.000 0.000 0.000 3/31680 190.0 6.130 5.639 7.282 0.000 0.000 0.000 3/31680 200.0 5.901 5.417 6.992 0.000 0.000 0.000 3/31680 210.0 5.688 5.213 6.725 0.000 0.000 0.000 3/31680 220.0 5.489 5.026 6.477 0.000 0.000 0.000 3/31680 230.0 5.303 4.853 6.247 0.000 0.000 0.000 3/31680 240.0 5.130 4.692 6.033 0.000 0.000 0.000 3/31680 250.0 4.967 4.541 5.833 0.000 0.000 0.000 3/31680 260.0 4.814 4.401 5.645 0.000 0.000 0.000 3/31680 270.0 4.669 4.270 5.469 0.000 0.000 0.000 3/31680 280.0 4.533 4.146 5.304 0.000 0.000 0.000 3/31680 290.0 4.405 4.030 5.148 0.000 0.000 0.000 3/31680 300.0 4.283 3.920 5.001 0.000 0.000 0.000 3/31680 310.0 4.168 3.816 4.862 0.000 0.000 0.000 3/31680 320.0 4.059 3.718 4.730 0.000 0.000 0.000 3/31680 330.0 3.955 3.625 4.605 0.000 0.000 0.000 3/31680 340.0 3.857 3.537 4.487 0.000 0.000 0.000 3/31680 350.0 3.763 3.452 4.374 0.000 0.000 0.000 3/31680 360.0 3.673 3.372 4.267 0.000 0.000 0.000 3/31680 370.0 3.588 3.296 4.165 0.000 0.000 0.000 3/31680 380.0 3.506 3.223 4.067 0.000 0.000 0.000 3/31680 390.0 3.428 3.153 3.975 0.000 0.000 0.000 3/31680 400.0 3.354 3.086 3.886 0.000 0.000 0.000 3/31680 410.0 3.282 3.022 3.801 0.000 0.000 0.000 3/31680 420.0 3.214 2.961 3.719 0.000 0.000 0.000 3/31680 430.0 3.148 2.902 3.641 0.000 0.000 0.000 3/31680 440.0 3.085 2.845 3.566 0.000 0.000 0.000 3/31680 450.0 3.024 2.790 3.494 0.000 0.000 0.000 3/31680 460.0 2.965 2.738 3.425 0.000 0.000 0.000 3/31680 470.0 2.909 2.687 3.359 0.000 0.000 0.000 3/31680 480.0 2.855 2.639 3.295 0.000 0.000 0.000 3/31680 490.0 2.803 2.592 3.233 0.000 0.000 0.000 3/31680 500.0 2.753 2.546 3.174 0.000 0.000 0.000 3/31680 510.0 2.704 2.502 3.116 0.000 0.000 0.000 3/31680 520.0 2.657 2.460 3.061 0.000 0.000 0.000 3/31680 530.0 2.612 2.419 3.008 0.000 0.000 0.000 3/31680 540.0 2.568 2.379 2.956 0.000 0.000 0.000 3/31680 550.0 2.525 2.341 2.906 0.000 0.000 0.000 3/31680 560.0 2.484 2.304 2.858 0.000 0.000 0.000 3/31680 570.0 2.444 2.268 2.811 0.000 0.000 0.000 3/31680 580.0 2.406 2.233 2.766 0.000 0.000 0.000 3/31680 590.0 2.369 2.199 2.722 0.000 0.000 0.000 3/31680 600.0 2.332 2.166 2.680 0.000 0.000 0.000 3/31680 610.0 2.297 2.134 2.639 0.000 0.000 0.000 3/31680 620.0 2.263 2.103 2.599 0.000 0.000 0.000 3/31680 630.0 2.230 2.073 2.560 0.000 0.000 0.000 3/31680 640.0 2.198 2.043 2.522 0.000 0.000 0.000 3/31680 650.0 2.166 2.015 2.486 0.000 0.000 0.000 3/31680 660.0 2.136 1.987 2.450 0.000 0.000 0.000 3/31680 670.0 2.106 1.960 2.416 0.000 0.000 0.000 3/31680 680.0 2.077 1.933 2.382 0.000 0.000 0.000 3/31680 690.0 2.049 1.908 2.349 0.000 0.000 0.000 3/31680 700.0 2.022 1.883 2.318 0.000 0.000 0.000 3/31680 710.0 1.995 1.858 2.287 0.000 0.000 0.000 3/31680 720.0 1.969 1.835 2.257 0.000 0.000 0.000 3/31680 730.0 1.944 1.812 2.227 0.000 0.000 0.000 3/31680 740.0 1.919 1.789 2.198 0.000 0.000 0.000 3/31680 750.0 1.895 1.767 2.171 0.000 0.000 0.000 3/31680 760.0 1.872 1.745 2.143 0.000 0.000 0.000 3/31680 770.0 1.849 1.724 2.117 0.000 0.000 0.000 3/31680 780.0 1.827 1.704 2.091 0.000 0.000 0.000 3/31680 790.0 1.805 1.684 2.065 0.000 0.000 0.000 3/31680 800.0 1.783 1.664 2.041 0.000 0.000 0.000 3/31680 810.0 1.763 1.645 2.017 0.000 0.000 0.000 3/31680 820.0 1.742 1.626 1.993 0.000 0.000 0.000 3/31680 830.0 1.722 1.608 1.970 0.000 0.000 0.000 3/31680 840.0 1.703 1.590 1.947 0.000 0.000 0.000 3/31680 850.0 1.684 1.572 1.925 0.000 0.000 0.000 3/31680 860.0 1.665 1.555 1.904 0.000 0.000 0.000 3/31680 870.0 1.647 1.538 1.883 0.000 0.000 0.000 3/31680 880.0 1.629 1.522 1.862 0.000 0.000 0.000 3/31680 890.0 1.612 1.506 1.842 0.000 0.000 0.000 3/31680 900.0 1.595 1.490 1.822 0.000 0.000 0.000 3/31680 910.0 1.578 1.475 1.803 0.000 0.000 0.000 3/31680 920.0 1.562 1.460 1.784 0.000 0.000 0.000 3/31680 930.0 1.545 1.445 1.765 0.000 0.000 0.000 3/31680 940.0 1.530 1.430 1.747 0.000 0.000 0.000 3/31680 950.0 1.514 1.416 1.730 0.000 0.000 0.000 3/31680 960.0 1.499 1.402 1.712 0.000 0.000 0.000 3/31680 970.0 1.484 1.388 1.695 0.000 0.000 0.000 3/31680 980.0 1.470 1.375 1.678 0.000 0.000 0.000 3/31680 990.0 1.456 1.362 1.662 0.000 0.000 0.000 3/31680 1000.0 1.442 1.349 1.646 0.000 0.000 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m5411.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:07:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|