----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:29:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.298639120878784 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -3.966758955013075 0.000000000000000 7.167915562561443 Atomic positions (fractional): *1 Na 0.53416333037433 0.27576162577108 0.24115945443472 22.990 2 Na 0.46583666962567 0.77576162577108 0.25884054556528 22.990 3 Na 0.46583666962567 0.72423837422892 0.75884054556528 22.990 4 Na 0.53416333037433 0.22423837422892 0.74115945443472 22.990 *5 Na 0.77194747883197 0.56119301435168 0.29024256627276 22.990 6 Na 0.22805252116803 0.06119301435168 0.20975743372724 22.990 7 Na 0.22805252116803 0.43880698564832 0.70975743372724 22.990 8 Na 0.77194747883197 0.93880698564832 0.79024256627276 22.990 *9 Na 0.00127716505200 0.16099026926547 0.48336376002479 22.990 10 Na 0.99872283494800 0.66099026926547 0.01663623997521 22.990 11 Na 0.99872283494800 0.83900973073453 0.51663623997521 22.990 12 Na 0.00127716505200 0.33900973073453 0.98336376002479 22.990 *13 Ge 0.65874214496848 0.99049161618991 0.12374213283737 72.640 14 Ge 0.34125785503152 0.49049161618991 0.37625786716263 72.640 15 Ge 0.34125785503152 0.00950838381009 0.87625786716263 72.640 16 Ge 0.65874214496848 0.50950838381009 0.62374213283737 72.640 *17 Se 0.83971420435723 0.37622842571870 0.56992999283730 78.960 18 Se 0.16028579564277 0.87622842571870 0.93007000716270 78.960 19 Se 0.16028579564277 0.62377157428130 0.43007000716270 78.960 20 Se 0.83971420435723 0.12377157428130 0.06992999283730 78.960 *21 Se 0.65891937517513 0.47028329207508 0.90565103964882 78.960 22 Se 0.34108062482487 0.97028329207508 0.59434896035118 78.960 23 Se 0.34108062482487 0.52971670792492 0.09434896035118 78.960 24 Se 0.65891937517513 0.02971670792492 0.40565103964882 78.960 *25 Se 0.75158352983448 0.69804514022911 0.61647370026879 78.960 26 Se 0.24841647016552 0.19804514022911 0.88352629973121 78.960 27 Se 0.24841647016552 0.30195485977089 0.38352629973121 78.960 28 Se 0.75158352983448 0.80195485977089 0.11647370026879 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.298639120878784 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -3.966758955013075 0.000000000000000 7.167915562561443 Atomic positions (fractional): *1 Na 0.53416333037433 0.27576162577108 0.24115945443472 22.990 > 1 2 Na 0.46583666962567 0.77576162577108 0.25884054556528 22.990 > 2 3 Na 0.46583666962567 0.72423837422892 0.75884054556528 22.990 > 3 4 Na 0.53416333037433 0.22423837422892 0.74115945443472 22.990 > 4 *5 Na 0.77194747883197 0.56119301435168 0.29024256627276 22.990 > 5 6 Na 0.22805252116803 0.06119301435168 0.20975743372724 22.990 > 6 7 Na 0.22805252116803 0.43880698564832 0.70975743372724 22.990 > 7 8 Na 0.77194747883197 0.93880698564832 0.79024256627276 22.990 > 8 *9 Na 0.00127716505200 0.16099026926547 0.48336376002479 22.990 > 9 10 Na 0.99872283494800 0.66099026926547 0.01663623997521 22.990 > 10 11 Na 0.99872283494800 0.83900973073453 0.51663623997521 22.990 > 11 12 Na 0.00127716505200 0.33900973073453 0.98336376002479 22.990 > 12 *13 Ge 0.65874214496848 0.99049161618991 0.12374213283737 72.640 > 13 14 Ge 0.34125785503152 0.49049161618991 0.37625786716263 72.640 > 14 15 Ge 0.34125785503152 0.00950838381009 0.87625786716263 72.640 > 15 16 Ge 0.65874214496848 0.50950838381009 0.62374213283737 72.640 > 16 *17 Se 0.83971420435723 0.37622842571870 0.56992999283730 78.960 > 17 18 Se 0.16028579564277 0.87622842571870 0.93007000716270 78.960 > 18 19 Se 0.16028579564277 0.62377157428130 0.43007000716270 78.960 > 19 20 Se 0.83971420435723 0.12377157428130 0.06992999283730 78.960 > 20 *21 Se 0.65891937517513 0.47028329207508 0.90565103964882 78.960 > 21 22 Se 0.34108062482487 0.97028329207508 0.59434896035118 78.960 > 22 23 Se 0.34108062482487 0.52971670792492 0.09434896035118 78.960 > 23 24 Se 0.65891937517513 0.02971670792492 0.40565103964882 78.960 > 24 *25 Se 0.75158352983448 0.69804514022911 0.61647370026879 78.960 > 25 26 Se 0.24841647016552 0.19804514022911 0.88352629973121 78.960 > 26 27 Se 0.24841647016552 0.30195485977089 0.38352629973121 78.960 > 27 28 Se 0.75158352983448 0.80195485977089 0.11647370026879 78.960 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.597278241757568 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -7.933517910026150 0.000000000000000 14.335831125122885 Atomic positions (fractional): *1 Na 0.26708166518717 0.27576162577108 0.12057972721736 22.990 > 1 2 Na 0.76708166518717 0.27576162577108 0.12057972721736 22.990 > 1 3 Na 0.26708166518717 0.27576162577108 0.62057972721736 22.990 > 1 4 Na 0.76708166518717 0.27576162577108 0.62057972721736 22.990 > 1 5 Na 0.23291833481283 0.77576162577108 0.12942027278264 22.990 > 2 6 Na 0.73291833481283 0.77576162577108 0.12942027278264 22.990 > 2 7 Na 0.23291833481283 0.77576162577108 0.62942027278264 22.990 > 2 8 Na 0.73291833481283 0.77576162577108 0.62942027278264 22.990 > 2 9 Na 0.23291833481283 0.72423837422892 0.37942027278264 22.990 > 3 10 Na 0.73291833481283 0.72423837422892 0.37942027278264 22.990 > 3 11 Na 0.23291833481283 0.72423837422892 0.87942027278264 22.990 > 3 12 Na 0.73291833481283 0.72423837422892 0.87942027278264 22.990 > 3 13 Na 0.26708166518717 0.22423837422892 0.37057972721736 22.990 > 4 14 Na 0.76708166518717 0.22423837422892 0.37057972721736 22.990 > 4 15 Na 0.26708166518717 0.22423837422892 0.87057972721736 22.990 > 4 16 Na 0.76708166518717 0.22423837422892 0.87057972721736 22.990 > 4 *17 Na 0.38597373941599 0.56119301435168 0.14512128313638 22.990 > 5 18 Na 0.88597373941599 0.56119301435168 0.14512128313638 22.990 > 5 19 Na 0.38597373941599 0.56119301435168 0.64512128313638 22.990 > 5 20 Na 0.88597373941599 0.56119301435168 0.64512128313638 22.990 > 5 21 Na 0.11402626058401 0.06119301435168 0.10487871686362 22.990 > 6 22 Na 0.61402626058401 0.06119301435168 0.10487871686362 22.990 > 6 23 Na 0.11402626058401 0.06119301435168 0.60487871686362 22.990 > 6 24 Na 0.61402626058401 0.06119301435168 0.60487871686362 22.990 > 6 25 Na 0.11402626058401 0.43880698564832 0.35487871686362 22.990 > 7 26 Na 0.61402626058401 0.43880698564832 0.35487871686362 22.990 > 7 27 Na 0.11402626058401 0.43880698564832 0.85487871686362 22.990 > 7 28 Na 0.61402626058401 0.43880698564832 0.85487871686362 22.990 > 7 29 Na 0.38597373941599 0.93880698564832 0.39512128313638 22.990 > 8 30 Na 0.88597373941599 0.93880698564832 0.39512128313638 22.990 > 8 31 Na 0.38597373941599 0.93880698564832 0.89512128313638 22.990 > 8 32 Na 0.88597373941599 0.93880698564832 0.89512128313638 22.990 > 8 *33 Na 0.00063858252600 0.16099026926547 0.24168188001240 22.990 > 9 34 Na 0.50063858252600 0.16099026926547 0.24168188001240 22.990 > 9 35 Na 0.00063858252600 0.16099026926547 0.74168188001240 22.990 > 9 36 Na 0.50063858252600 0.16099026926547 0.74168188001240 22.990 > 9 37 Na 0.49936141747400 0.66099026926547 0.00831811998760 22.990 > 10 38 Na 0.99936141747400 0.66099026926547 0.00831811998760 22.990 > 10 39 Na 0.49936141747400 0.66099026926547 0.50831811998760 22.990 > 10 40 Na 0.99936141747400 0.66099026926547 0.50831811998760 22.990 > 10 41 Na 0.49936141747400 0.83900973073453 0.25831811998760 22.990 > 11 42 Na 0.99936141747400 0.83900973073453 0.25831811998760 22.990 > 11 43 Na 0.49936141747400 0.83900973073453 0.75831811998760 22.990 > 11 44 Na 0.99936141747400 0.83900973073453 0.75831811998760 22.990 > 11 45 Na 0.00063858252600 0.33900973073453 0.49168188001240 22.990 > 12 46 Na 0.50063858252600 0.33900973073453 0.49168188001240 22.990 > 12 47 Na 0.00063858252600 0.33900973073453 0.99168188001240 22.990 > 12 48 Na 0.50063858252600 0.33900973073453 0.99168188001240 22.990 > 12 *49 Ge 0.32937107248424 0.99049161618991 0.06187106641869 72.640 > 13 50 Ge 0.82937107248424 0.99049161618991 0.06187106641869 72.640 > 13 51 Ge 0.32937107248424 0.99049161618991 0.56187106641869 72.640 > 13 52 Ge 0.82937107248424 0.99049161618991 0.56187106641869 72.640 > 13 53 Ge 0.17062892751576 0.49049161618991 0.18812893358131 72.640 > 14 54 Ge 0.67062892751576 0.49049161618991 0.18812893358131 72.640 > 14 55 Ge 0.17062892751576 0.49049161618991 0.68812893358131 72.640 > 14 56 Ge 0.67062892751576 0.49049161618991 0.68812893358131 72.640 > 14 57 Ge 0.17062892751576 0.00950838381009 0.43812893358131 72.640 > 15 58 Ge 0.67062892751576 0.00950838381009 0.43812893358131 72.640 > 15 59 Ge 0.17062892751576 0.00950838381009 0.93812893358131 72.640 > 15 60 Ge 0.67062892751576 0.00950838381009 0.93812893358131 72.640 > 15 61 Ge 0.32937107248424 0.50950838381009 0.31187106641869 72.640 > 16 62 Ge 0.82937107248424 0.50950838381009 0.31187106641869 72.640 > 16 63 Ge 0.32937107248424 0.50950838381009 0.81187106641869 72.640 > 16 64 Ge 0.82937107248424 0.50950838381009 0.81187106641869 72.640 > 16 *65 Se 0.41985710217862 0.37622842571870 0.28496499641865 78.960 > 17 66 Se 0.91985710217862 0.37622842571870 0.28496499641865 78.960 > 17 67 Se 0.41985710217862 0.37622842571870 0.78496499641865 78.960 > 17 68 Se 0.91985710217862 0.37622842571870 0.78496499641865 78.960 > 17 69 Se 0.08014289782138 0.87622842571870 0.46503500358135 78.960 > 18 70 Se 0.58014289782138 0.87622842571870 0.46503500358135 78.960 > 18 71 Se 0.08014289782138 0.87622842571870 0.96503500358135 78.960 > 18 72 Se 0.58014289782138 0.87622842571870 0.96503500358135 78.960 > 18 73 Se 0.08014289782138 0.62377157428130 0.21503500358135 78.960 > 19 74 Se 0.58014289782138 0.62377157428130 0.21503500358135 78.960 > 19 75 Se 0.08014289782138 0.62377157428130 0.71503500358135 78.960 > 19 76 Se 0.58014289782138 0.62377157428130 0.71503500358135 78.960 > 19 77 Se 0.41985710217862 0.12377157428130 0.03496499641865 78.960 > 20 78 Se 0.91985710217862 0.12377157428130 0.03496499641865 78.960 > 20 79 Se 0.41985710217862 0.12377157428130 0.53496499641865 78.960 > 20 80 Se 0.91985710217862 0.12377157428130 0.53496499641865 78.960 > 20 *81 Se 0.32945968758757 0.47028329207508 0.45282551982441 78.960 > 21 82 Se 0.82945968758757 0.47028329207508 0.45282551982441 78.960 > 21 83 Se 0.32945968758757 0.47028329207508 0.95282551982441 78.960 > 21 84 Se 0.82945968758757 0.47028329207508 0.95282551982441 78.960 > 21 85 Se 0.17054031241243 0.97028329207508 0.29717448017559 78.960 > 22 86 Se 0.67054031241243 0.97028329207508 0.29717448017559 78.960 > 22 87 Se 0.17054031241243 0.97028329207508 0.79717448017559 78.960 > 22 88 Se 0.67054031241243 0.97028329207508 0.79717448017559 78.960 > 22 89 Se 0.17054031241243 0.52971670792492 0.04717448017559 78.960 > 23 90 Se 0.67054031241243 0.52971670792492 0.04717448017559 78.960 > 23 91 Se 0.17054031241243 0.52971670792492 0.54717448017559 78.960 > 23 92 Se 0.67054031241243 0.52971670792492 0.54717448017559 78.960 > 23 93 Se 0.32945968758757 0.02971670792492 0.20282551982441 78.960 > 24 94 Se 0.82945968758757 0.02971670792492 0.20282551982441 78.960 > 24 95 Se 0.32945968758757 0.02971670792492 0.70282551982441 78.960 > 24 96 Se 0.82945968758757 0.02971670792492 0.70282551982441 78.960 > 24 *97 Se 0.37579176491724 0.69804514022911 0.30823685013440 78.960 > 25 98 Se 0.87579176491724 0.69804514022911 0.30823685013440 78.960 > 25 99 Se 0.37579176491724 0.69804514022911 0.80823685013440 78.960 > 25 100 Se 0.87579176491724 0.69804514022911 0.80823685013440 78.960 > 25 101 Se 0.12420823508276 0.19804514022911 0.44176314986560 78.960 > 26 102 Se 0.62420823508276 0.19804514022911 0.44176314986560 78.960 > 26 103 Se 0.12420823508276 0.19804514022911 0.94176314986560 78.960 > 26 104 Se 0.62420823508276 0.19804514022911 0.94176314986560 78.960 > 26 105 Se 0.12420823508276 0.30195485977089 0.19176314986560 78.960 > 27 106 Se 0.62420823508276 0.30195485977089 0.19176314986560 78.960 > 27 107 Se 0.12420823508276 0.30195485977089 0.69176314986560 78.960 > 27 108 Se 0.62420823508276 0.30195485977089 0.69176314986560 78.960 > 27 109 Se 0.37579176491724 0.80195485977089 0.05823685013440 78.960 > 28 110 Se 0.87579176491724 0.80195485977089 0.05823685013440 78.960 > 28 111 Se 0.37579176491724 0.80195485977089 0.55823685013440 78.960 > 28 112 Se 0.87579176491724 0.80195485977089 0.55823685013440 78.960 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4975560 0.0000000 -0.0323415 0.0000000 5.5507551 0.0000000 -0.0323800 0.0000000 5.1616026 -------------------------- Born effective charges -------------------------- 1 Na 0.8843099 -0.2124674 -0.1101215 -0.1544784 1.3446803 0.2795977 -0.0626669 0.2120483 1.0617579 2 Na 0.8843099 0.2124674 -0.1101215 0.1544784 1.3446803 -0.2795977 -0.0626669 -0.2120483 1.0617579 3 Na 0.8843099 -0.2124674 -0.1101215 -0.1544784 1.3446803 0.2795977 -0.0626669 0.2120483 1.0617579 4 Na 0.8843099 0.2124674 -0.1101215 0.1544784 1.3446803 -0.2795977 -0.0626669 -0.2120483 1.0617579 5 Na 1.3490100 0.1028353 -0.0776397 0.0864077 1.0348837 -0.1673322 -0.1983299 0.0097043 1.3309062 6 Na 1.3490100 -0.1028353 -0.0776397 -0.0864077 1.0348837 0.1673322 -0.1983299 -0.0097043 1.3309062 7 Na 1.3490100 0.1028353 -0.0776397 0.0864077 1.0348837 -0.1673322 -0.1983299 0.0097043 1.3309062 8 Na 1.3490100 -0.1028353 -0.0776397 -0.0864077 1.0348837 0.1673322 -0.1983299 -0.0097043 1.3309062 9 Na 1.2972007 -0.0875730 0.1876187 0.1039577 1.2603274 0.0122642 0.2485443 0.0728855 1.1960385 10 Na 1.2972007 0.0875730 0.1876187 -0.1039577 1.2603274 -0.0122642 0.2485443 -0.0728855 1.1960385 11 Na 1.2972007 -0.0875730 0.1876187 0.1039577 1.2603274 0.0122642 0.2485443 0.0728855 1.1960385 12 Na 1.2972007 0.0875730 0.1876187 -0.1039577 1.2603274 -0.0122642 0.2485443 -0.0728855 1.1960385 13 Ge 1.8457085 -0.0550528 -0.5762234 0.1010534 2.3111612 -0.0811115 -0.3124351 0.1141654 1.8085298 14 Ge 1.8457085 0.0550528 -0.5762234 -0.1010534 2.3111612 0.0811115 -0.3124351 -0.1141654 1.8085298 15 Ge 1.8457085 -0.0550528 -0.5762234 0.1010534 2.3111612 -0.0811115 -0.3124351 0.1141654 1.8085298 16 Ge 1.8457085 0.0550528 -0.5762234 -0.1010534 2.3111612 0.0811115 -0.3124351 -0.1141654 1.8085298 17 Se -2.3309752 0.7933974 0.1517958 0.8385281 -1.8263913 -0.1910432 -0.0933644 -0.1081179 -1.4527559 18 Se -2.3309752 -0.7933974 0.1517958 -0.8385281 -1.8263913 0.1910432 -0.0933644 0.1081179 -1.4527559 19 Se -2.3309752 0.7933974 0.1517958 0.8385281 -1.8263913 -0.1910432 -0.0933644 -0.1081179 -1.4527559 20 Se -2.3309752 -0.7933974 0.1517958 -0.8385281 -1.8263913 0.1910432 -0.0933644 0.1081179 -1.4527559 21 Se -1.4258878 -0.1790090 0.2765226 -0.1528947 -1.5109936 0.0390121 0.3597852 0.1670529 -2.5688884 22 Se -1.4258878 0.1790090 0.2765226 0.1528947 -1.5109936 -0.0390121 0.3597852 -0.1670529 -2.5688884 23 Se -1.4258878 -0.1790090 0.2765226 -0.1528947 -1.5109936 0.0390121 0.3597852 0.1670529 -2.5688884 24 Se -1.4258878 0.1790090 0.2765226 0.1528947 -1.5109936 -0.0390121 0.3597852 -0.1670529 -2.5688884 25 Se -1.6193661 -0.7724710 0.1480474 -0.4904437 -2.6136676 -0.1190307 0.0584667 -0.2123992 -1.3755880 26 Se -1.6193661 0.7724710 0.1480474 0.4904437 -2.6136676 0.1190307 0.0584667 0.2123992 -1.3755880 27 Se -1.6193661 -0.7724710 0.1480474 -0.4904437 -2.6136676 -0.1190307 0.0584667 -0.2123992 -1.3755880 28 Se -1.6193661 0.7724710 0.1480474 0.4904437 -2.6136676 0.1190307 0.0584667 0.2123992 -1.3755880 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 880 - Time: 0.940 Solver_block: 200 / 880 - Time: 0.846 Solver_block: 300 / 880 - Time: 0.858 Solver_block: 400 / 880 - Time: 0.855 Solver_block: 500 / 880 - Time: 0.859 Solver_block: 600 / 880 - Time: 0.856 Solver_block: 700 / 880 - Time: 0.855 Solver_block: 800 / 880 - Time: 0.841 Solver_block: 880 / 880 - Time: 0.707 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.809 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:29:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:29:43]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.298639120878784 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -3.966758955013075 0.000000000000000 7.167915562561443 Atomic positions (fractional): 1 Na 0.53416333037433 0.27576162577108 0.24115945443472 22.990 2 Na 0.46583666962567 0.77576162577108 0.25884054556528 22.990 3 Na 0.46583666962567 0.72423837422892 0.75884054556528 22.990 4 Na 0.53416333037433 0.22423837422892 0.74115945443472 22.990 5 Na 0.77194747883197 0.56119301435168 0.29024256627276 22.990 6 Na 0.22805252116803 0.06119301435168 0.20975743372724 22.990 7 Na 0.22805252116803 0.43880698564832 0.70975743372724 22.990 8 Na 0.77194747883197 0.93880698564832 0.79024256627276 22.990 9 Na 0.00127716505200 0.16099026926547 0.48336376002479 22.990 10 Na 0.99872283494800 0.66099026926547 0.01663623997521 22.990 11 Na 0.99872283494800 0.83900973073453 0.51663623997521 22.990 12 Na 0.00127716505200 0.33900973073453 0.98336376002479 22.990 13 Ge 0.65874214496848 0.99049161618991 0.12374213283737 72.640 14 Ge 0.34125785503152 0.49049161618991 0.37625786716263 72.640 15 Ge 0.34125785503152 0.00950838381009 0.87625786716263 72.640 16 Ge 0.65874214496848 0.50950838381009 0.62374213283737 72.640 17 Se 0.83971420435723 0.37622842571870 0.56992999283730 78.960 18 Se 0.16028579564277 0.87622842571870 0.93007000716270 78.960 19 Se 0.16028579564277 0.62377157428130 0.43007000716270 78.960 20 Se 0.83971420435723 0.12377157428130 0.06992999283730 78.960 21 Se 0.65891937517513 0.47028329207508 0.90565103964882 78.960 22 Se 0.34108062482487 0.97028329207508 0.59434896035118 78.960 23 Se 0.34108062482487 0.52971670792492 0.09434896035118 78.960 24 Se 0.65891937517513 0.02971670792492 0.40565103964882 78.960 25 Se 0.75158352983448 0.69804514022911 0.61647370026879 78.960 26 Se 0.24841647016552 0.19804514022911 0.88352629973121 78.960 27 Se 0.24841647016552 0.30195485977089 0.38352629973121 78.960 28 Se 0.75158352983448 0.80195485977089 0.11647370026879 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.597278241757568 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -7.933517910026150 0.000000000000000 14.335831125122885 Atomic positions (fractional): 1 Na 0.26708166518717 0.27576162577108 0.12057972721736 22.990 > 1 2 Na 0.76708166518717 0.27576162577108 0.12057972721736 22.990 > 1 3 Na 0.26708166518717 0.27576162577108 0.62057972721736 22.990 > 1 4 Na 0.76708166518717 0.27576162577108 0.62057972721736 22.990 > 1 5 Na 0.23291833481283 0.77576162577108 0.12942027278264 22.990 > 5 6 Na 0.73291833481283 0.77576162577108 0.12942027278264 22.990 > 5 7 Na 0.23291833481283 0.77576162577108 0.62942027278264 22.990 > 5 8 Na 0.73291833481283 0.77576162577108 0.62942027278264 22.990 > 5 9 Na 0.23291833481283 0.72423837422892 0.37942027278264 22.990 > 9 10 Na 0.73291833481283 0.72423837422892 0.37942027278264 22.990 > 9 11 Na 0.23291833481283 0.72423837422892 0.87942027278264 22.990 > 9 12 Na 0.73291833481283 0.72423837422892 0.87942027278264 22.990 > 9 13 Na 0.26708166518717 0.22423837422892 0.37057972721736 22.990 > 13 14 Na 0.76708166518717 0.22423837422892 0.37057972721736 22.990 > 13 15 Na 0.26708166518717 0.22423837422892 0.87057972721736 22.990 > 13 16 Na 0.76708166518717 0.22423837422892 0.87057972721736 22.990 > 13 17 Na 0.38597373941599 0.56119301435168 0.14512128313638 22.990 > 17 18 Na 0.88597373941599 0.56119301435168 0.14512128313638 22.990 > 17 19 Na 0.38597373941599 0.56119301435168 0.64512128313638 22.990 > 17 20 Na 0.88597373941599 0.56119301435168 0.64512128313638 22.990 > 17 21 Na 0.11402626058401 0.06119301435168 0.10487871686362 22.990 > 21 22 Na 0.61402626058401 0.06119301435168 0.10487871686362 22.990 > 21 23 Na 0.11402626058401 0.06119301435168 0.60487871686362 22.990 > 21 24 Na 0.61402626058401 0.06119301435168 0.60487871686362 22.990 > 21 25 Na 0.11402626058401 0.43880698564832 0.35487871686362 22.990 > 25 26 Na 0.61402626058401 0.43880698564832 0.35487871686362 22.990 > 25 27 Na 0.11402626058401 0.43880698564832 0.85487871686362 22.990 > 25 28 Na 0.61402626058401 0.43880698564832 0.85487871686362 22.990 > 25 29 Na 0.38597373941599 0.93880698564832 0.39512128313638 22.990 > 29 30 Na 0.88597373941599 0.93880698564832 0.39512128313638 22.990 > 29 31 Na 0.38597373941599 0.93880698564832 0.89512128313638 22.990 > 29 32 Na 0.88597373941599 0.93880698564832 0.89512128313638 22.990 > 29 33 Na 0.00063858252600 0.16099026926547 0.24168188001240 22.990 > 33 34 Na 0.50063858252600 0.16099026926547 0.24168188001240 22.990 > 33 35 Na 0.00063858252600 0.16099026926547 0.74168188001240 22.990 > 33 36 Na 0.50063858252600 0.16099026926547 0.74168188001240 22.990 > 33 37 Na 0.49936141747400 0.66099026926547 0.00831811998760 22.990 > 37 38 Na 0.99936141747400 0.66099026926547 0.00831811998760 22.990 > 37 39 Na 0.49936141747400 0.66099026926547 0.50831811998760 22.990 > 37 40 Na 0.99936141747400 0.66099026926547 0.50831811998760 22.990 > 37 41 Na 0.49936141747400 0.83900973073453 0.25831811998760 22.990 > 41 42 Na 0.99936141747400 0.83900973073453 0.25831811998760 22.990 > 41 43 Na 0.49936141747400 0.83900973073453 0.75831811998760 22.990 > 41 44 Na 0.99936141747400 0.83900973073453 0.75831811998760 22.990 > 41 45 Na 0.00063858252600 0.33900973073453 0.49168188001240 22.990 > 45 46 Na 0.50063858252600 0.33900973073453 0.49168188001240 22.990 > 45 47 Na 0.00063858252600 0.33900973073453 0.99168188001240 22.990 > 45 48 Na 0.50063858252600 0.33900973073453 0.99168188001240 22.990 > 45 49 Ge 0.32937107248424 0.99049161618991 0.06187106641869 72.640 > 49 50 Ge 0.82937107248424 0.99049161618991 0.06187106641869 72.640 > 49 51 Ge 0.32937107248424 0.99049161618991 0.56187106641869 72.640 > 49 52 Ge 0.82937107248424 0.99049161618991 0.56187106641869 72.640 > 49 53 Ge 0.17062892751576 0.49049161618991 0.18812893358131 72.640 > 53 54 Ge 0.67062892751576 0.49049161618991 0.18812893358131 72.640 > 53 55 Ge 0.17062892751576 0.49049161618991 0.68812893358131 72.640 > 53 56 Ge 0.67062892751576 0.49049161618991 0.68812893358131 72.640 > 53 57 Ge 0.17062892751576 0.00950838381009 0.43812893358131 72.640 > 57 58 Ge 0.67062892751576 0.00950838381009 0.43812893358131 72.640 > 57 59 Ge 0.17062892751576 0.00950838381009 0.93812893358131 72.640 > 57 60 Ge 0.67062892751576 0.00950838381009 0.93812893358131 72.640 > 57 61 Ge 0.32937107248424 0.50950838381009 0.31187106641869 72.640 > 61 62 Ge 0.82937107248424 0.50950838381009 0.31187106641869 72.640 > 61 63 Ge 0.32937107248424 0.50950838381009 0.81187106641869 72.640 > 61 64 Ge 0.82937107248424 0.50950838381009 0.81187106641869 72.640 > 61 65 Se 0.41985710217862 0.37622842571870 0.28496499641865 78.960 > 65 66 Se 0.91985710217862 0.37622842571870 0.28496499641865 78.960 > 65 67 Se 0.41985710217862 0.37622842571870 0.78496499641865 78.960 > 65 68 Se 0.91985710217862 0.37622842571870 0.78496499641865 78.960 > 65 69 Se 0.08014289782138 0.87622842571870 0.46503500358135 78.960 > 69 70 Se 0.58014289782138 0.87622842571870 0.46503500358135 78.960 > 69 71 Se 0.08014289782138 0.87622842571870 0.96503500358135 78.960 > 69 72 Se 0.58014289782138 0.87622842571870 0.96503500358135 78.960 > 69 73 Se 0.08014289782138 0.62377157428130 0.21503500358135 78.960 > 73 74 Se 0.58014289782138 0.62377157428130 0.21503500358135 78.960 > 73 75 Se 0.08014289782138 0.62377157428130 0.71503500358135 78.960 > 73 76 Se 0.58014289782138 0.62377157428130 0.71503500358135 78.960 > 73 77 Se 0.41985710217862 0.12377157428130 0.03496499641865 78.960 > 77 78 Se 0.91985710217862 0.12377157428130 0.03496499641865 78.960 > 77 79 Se 0.41985710217862 0.12377157428130 0.53496499641865 78.960 > 77 80 Se 0.91985710217862 0.12377157428130 0.53496499641865 78.960 > 77 81 Se 0.32945968758757 0.47028329207508 0.45282551982441 78.960 > 81 82 Se 0.82945968758757 0.47028329207508 0.45282551982441 78.960 > 81 83 Se 0.32945968758757 0.47028329207508 0.95282551982441 78.960 > 81 84 Se 0.82945968758757 0.47028329207508 0.95282551982441 78.960 > 81 85 Se 0.17054031241243 0.97028329207508 0.29717448017559 78.960 > 85 86 Se 0.67054031241243 0.97028329207508 0.29717448017559 78.960 > 85 87 Se 0.17054031241243 0.97028329207508 0.79717448017559 78.960 > 85 88 Se 0.67054031241243 0.97028329207508 0.79717448017559 78.960 > 85 89 Se 0.17054031241243 0.52971670792492 0.04717448017559 78.960 > 89 90 Se 0.67054031241243 0.52971670792492 0.04717448017559 78.960 > 89 91 Se 0.17054031241243 0.52971670792492 0.54717448017559 78.960 > 89 92 Se 0.67054031241243 0.52971670792492 0.54717448017559 78.960 > 89 93 Se 0.32945968758757 0.02971670792492 0.20282551982441 78.960 > 93 94 Se 0.82945968758757 0.02971670792492 0.20282551982441 78.960 > 93 95 Se 0.32945968758757 0.02971670792492 0.70282551982441 78.960 > 93 96 Se 0.82945968758757 0.02971670792492 0.70282551982441 78.960 > 93 97 Se 0.37579176491724 0.69804514022911 0.30823685013440 78.960 > 97 98 Se 0.87579176491724 0.69804514022911 0.30823685013440 78.960 > 97 99 Se 0.37579176491724 0.69804514022911 0.80823685013440 78.960 > 97 100 Se 0.87579176491724 0.69804514022911 0.80823685013440 78.960 > 97 101 Se 0.12420823508276 0.19804514022911 0.44176314986560 78.960 > 101 102 Se 0.62420823508276 0.19804514022911 0.44176314986560 78.960 > 101 103 Se 0.12420823508276 0.19804514022911 0.94176314986560 78.960 > 101 104 Se 0.62420823508276 0.19804514022911 0.94176314986560 78.960 > 101 105 Se 0.12420823508276 0.30195485977089 0.19176314986560 78.960 > 105 106 Se 0.62420823508276 0.30195485977089 0.19176314986560 78.960 > 105 107 Se 0.12420823508276 0.30195485977089 0.69176314986560 78.960 > 105 108 Se 0.62420823508276 0.30195485977089 0.69176314986560 78.960 > 105 109 Se 0.37579176491724 0.80195485977089 0.05823685013440 78.960 > 109 110 Se 0.87579176491724 0.80195485977089 0.05823685013440 78.960 > 109 111 Se 0.37579176491724 0.80195485977089 0.55823685013440 78.960 > 109 112 Se 0.87579176491724 0.80195485977089 0.55823685013440 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4975560 0.0000000 -0.0323415 0.0000000 5.5507551 0.0000000 -0.0323800 0.0000000 5.1616026 -------------------------- Born effective charges -------------------------- 1 Na 0.8843099 -0.2124674 -0.1101215 -0.1544784 1.3446803 0.2795977 -0.0626669 0.2120483 1.0617579 2 Na 0.8843099 0.2124674 -0.1101215 0.1544784 1.3446803 -0.2795977 -0.0626669 -0.2120483 1.0617579 3 Na 0.8843099 -0.2124674 -0.1101215 -0.1544784 1.3446803 0.2795977 -0.0626669 0.2120483 1.0617579 4 Na 0.8843099 0.2124674 -0.1101215 0.1544784 1.3446803 -0.2795977 -0.0626669 -0.2120483 1.0617579 5 Na 1.3490100 0.1028353 -0.0776397 0.0864077 1.0348837 -0.1673322 -0.1983299 0.0097043 1.3309062 6 Na 1.3490100 -0.1028353 -0.0776397 -0.0864077 1.0348837 0.1673322 -0.1983299 -0.0097043 1.3309062 7 Na 1.3490100 0.1028353 -0.0776397 0.0864077 1.0348837 -0.1673322 -0.1983299 0.0097043 1.3309062 8 Na 1.3490100 -0.1028353 -0.0776397 -0.0864077 1.0348837 0.1673322 -0.1983299 -0.0097043 1.3309062 9 Na 1.2972007 -0.0875730 0.1876187 0.1039577 1.2603274 0.0122642 0.2485443 0.0728855 1.1960385 10 Na 1.2972007 0.0875730 0.1876187 -0.1039577 1.2603274 -0.0122642 0.2485443 -0.0728855 1.1960385 11 Na 1.2972007 -0.0875730 0.1876187 0.1039577 1.2603274 0.0122642 0.2485443 0.0728855 1.1960385 12 Na 1.2972007 0.0875730 0.1876187 -0.1039577 1.2603274 -0.0122642 0.2485443 -0.0728855 1.1960385 13 Ge 1.8457085 -0.0550528 -0.5762234 0.1010534 2.3111612 -0.0811115 -0.3124351 0.1141654 1.8085298 14 Ge 1.8457085 0.0550528 -0.5762234 -0.1010534 2.3111612 0.0811115 -0.3124351 -0.1141654 1.8085298 15 Ge 1.8457085 -0.0550528 -0.5762234 0.1010534 2.3111612 -0.0811115 -0.3124351 0.1141654 1.8085298 16 Ge 1.8457085 0.0550528 -0.5762234 -0.1010534 2.3111612 0.0811115 -0.3124351 -0.1141654 1.8085298 17 Se -2.3309752 0.7933974 0.1517958 0.8385281 -1.8263913 -0.1910432 -0.0933644 -0.1081179 -1.4527559 18 Se -2.3309752 -0.7933974 0.1517958 -0.8385281 -1.8263913 0.1910432 -0.0933644 0.1081179 -1.4527559 19 Se -2.3309752 0.7933974 0.1517958 0.8385281 -1.8263913 -0.1910432 -0.0933644 -0.1081179 -1.4527559 20 Se -2.3309752 -0.7933974 0.1517958 -0.8385281 -1.8263913 0.1910432 -0.0933644 0.1081179 -1.4527559 21 Se -1.4258878 -0.1790090 0.2765226 -0.1528947 -1.5109936 0.0390121 0.3597852 0.1670529 -2.5688884 22 Se -1.4258878 0.1790090 0.2765226 0.1528947 -1.5109936 -0.0390121 0.3597852 -0.1670529 -2.5688884 23 Se -1.4258878 -0.1790090 0.2765226 -0.1528947 -1.5109936 0.0390121 0.3597852 0.1670529 -2.5688884 24 Se -1.4258878 0.1790090 0.2765226 0.1528947 -1.5109936 -0.0390121 0.3597852 -0.1670529 -2.5688884 25 Se -1.6193661 -0.7724710 0.1480474 -0.4904437 -2.6136676 -0.1190307 0.0584667 -0.2123992 -1.3755880 26 Se -1.6193661 0.7724710 0.1480474 0.4904437 -2.6136676 0.1190307 0.0584667 0.2123992 -1.3755880 27 Se -1.6193661 -0.7724710 0.1480474 -0.4904437 -2.6136676 -0.1190307 0.0584667 -0.2123992 -1.3755880 28 Se -1.6193661 0.7724710 0.1480474 0.4904437 -2.6136676 0.1190307 0.0584667 0.2123992 -1.3755880 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] 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] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000056 (xxy) 0.00000056 (xxy) 0.00000056 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000101 (yz) -0.00000101 (yz) 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 04:30:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:30:09]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.298639120878784 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -3.966758955013075 0.000000000000000 7.167915562561443 Atomic positions (fractional): 1 Na 0.53416333037433 0.27576162577108 0.24115945443472 22.990 2 Na 0.46583666962567 0.77576162577108 0.25884054556528 22.990 3 Na 0.46583666962567 0.72423837422892 0.75884054556528 22.990 4 Na 0.53416333037433 0.22423837422892 0.74115945443472 22.990 5 Na 0.77194747883197 0.56119301435168 0.29024256627276 22.990 6 Na 0.22805252116803 0.06119301435168 0.20975743372724 22.990 7 Na 0.22805252116803 0.43880698564832 0.70975743372724 22.990 8 Na 0.77194747883197 0.93880698564832 0.79024256627276 22.990 9 Na 0.00127716505200 0.16099026926547 0.48336376002479 22.990 10 Na 0.99872283494800 0.66099026926547 0.01663623997521 22.990 11 Na 0.99872283494800 0.83900973073453 0.51663623997521 22.990 12 Na 0.00127716505200 0.33900973073453 0.98336376002479 22.990 13 Ge 0.65874214496848 0.99049161618991 0.12374213283737 72.640 14 Ge 0.34125785503152 0.49049161618991 0.37625786716263 72.640 15 Ge 0.34125785503152 0.00950838381009 0.87625786716263 72.640 16 Ge 0.65874214496848 0.50950838381009 0.62374213283737 72.640 17 Se 0.83971420435723 0.37622842571870 0.56992999283730 78.960 18 Se 0.16028579564277 0.87622842571870 0.93007000716270 78.960 19 Se 0.16028579564277 0.62377157428130 0.43007000716270 78.960 20 Se 0.83971420435723 0.12377157428130 0.06992999283730 78.960 21 Se 0.65891937517513 0.47028329207508 0.90565103964882 78.960 22 Se 0.34108062482487 0.97028329207508 0.59434896035118 78.960 23 Se 0.34108062482487 0.52971670792492 0.09434896035118 78.960 24 Se 0.65891937517513 0.02971670792492 0.40565103964882 78.960 25 Se 0.75158352983448 0.69804514022911 0.61647370026879 78.960 26 Se 0.24841647016552 0.19804514022911 0.88352629973121 78.960 27 Se 0.24841647016552 0.30195485977089 0.38352629973121 78.960 28 Se 0.75158352983448 0.80195485977089 0.11647370026879 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.597278241757568 0.000000000000000 0.000000000000000 b 0.000000000000000 11.800953750000001 0.000000000000000 c -7.933517910026150 0.000000000000000 14.335831125122885 Atomic positions (fractional): 1 Na 0.26708166518717 0.27576162577108 0.12057972721736 22.990 > 1 2 Na 0.76708166518717 0.27576162577108 0.12057972721736 22.990 > 1 3 Na 0.26708166518717 0.27576162577108 0.62057972721736 22.990 > 1 4 Na 0.76708166518717 0.27576162577108 0.62057972721736 22.990 > 1 5 Na 0.23291833481283 0.77576162577108 0.12942027278264 22.990 > 5 6 Na 0.73291833481283 0.77576162577108 0.12942027278264 22.990 > 5 7 Na 0.23291833481283 0.77576162577108 0.62942027278264 22.990 > 5 8 Na 0.73291833481283 0.77576162577108 0.62942027278264 22.990 > 5 9 Na 0.23291833481283 0.72423837422892 0.37942027278264 22.990 > 9 10 Na 0.73291833481283 0.72423837422892 0.37942027278264 22.990 > 9 11 Na 0.23291833481283 0.72423837422892 0.87942027278264 22.990 > 9 12 Na 0.73291833481283 0.72423837422892 0.87942027278264 22.990 > 9 13 Na 0.26708166518717 0.22423837422892 0.37057972721736 22.990 > 13 14 Na 0.76708166518717 0.22423837422892 0.37057972721736 22.990 > 13 15 Na 0.26708166518717 0.22423837422892 0.87057972721736 22.990 > 13 16 Na 0.76708166518717 0.22423837422892 0.87057972721736 22.990 > 13 17 Na 0.38597373941599 0.56119301435168 0.14512128313638 22.990 > 17 18 Na 0.88597373941599 0.56119301435168 0.14512128313638 22.990 > 17 19 Na 0.38597373941599 0.56119301435168 0.64512128313638 22.990 > 17 20 Na 0.88597373941599 0.56119301435168 0.64512128313638 22.990 > 17 21 Na 0.11402626058401 0.06119301435168 0.10487871686362 22.990 > 21 22 Na 0.61402626058401 0.06119301435168 0.10487871686362 22.990 > 21 23 Na 0.11402626058401 0.06119301435168 0.60487871686362 22.990 > 21 24 Na 0.61402626058401 0.06119301435168 0.60487871686362 22.990 > 21 25 Na 0.11402626058401 0.43880698564832 0.35487871686362 22.990 > 25 26 Na 0.61402626058401 0.43880698564832 0.35487871686362 22.990 > 25 27 Na 0.11402626058401 0.43880698564832 0.85487871686362 22.990 > 25 28 Na 0.61402626058401 0.43880698564832 0.85487871686362 22.990 > 25 29 Na 0.38597373941599 0.93880698564832 0.39512128313638 22.990 > 29 30 Na 0.88597373941599 0.93880698564832 0.39512128313638 22.990 > 29 31 Na 0.38597373941599 0.93880698564832 0.89512128313638 22.990 > 29 32 Na 0.88597373941599 0.93880698564832 0.89512128313638 22.990 > 29 33 Na 0.00063858252600 0.16099026926547 0.24168188001240 22.990 > 33 34 Na 0.50063858252600 0.16099026926547 0.24168188001240 22.990 > 33 35 Na 0.00063858252600 0.16099026926547 0.74168188001240 22.990 > 33 36 Na 0.50063858252600 0.16099026926547 0.74168188001240 22.990 > 33 37 Na 0.49936141747400 0.66099026926547 0.00831811998760 22.990 > 37 38 Na 0.99936141747400 0.66099026926547 0.00831811998760 22.990 > 37 39 Na 0.49936141747400 0.66099026926547 0.50831811998760 22.990 > 37 40 Na 0.99936141747400 0.66099026926547 0.50831811998760 22.990 > 37 41 Na 0.49936141747400 0.83900973073453 0.25831811998760 22.990 > 41 42 Na 0.99936141747400 0.83900973073453 0.25831811998760 22.990 > 41 43 Na 0.49936141747400 0.83900973073453 0.75831811998760 22.990 > 41 44 Na 0.99936141747400 0.83900973073453 0.75831811998760 22.990 > 41 45 Na 0.00063858252600 0.33900973073453 0.49168188001240 22.990 > 45 46 Na 0.50063858252600 0.33900973073453 0.49168188001240 22.990 > 45 47 Na 0.00063858252600 0.33900973073453 0.99168188001240 22.990 > 45 48 Na 0.50063858252600 0.33900973073453 0.99168188001240 22.990 > 45 49 Ge 0.32937107248424 0.99049161618991 0.06187106641869 72.640 > 49 50 Ge 0.82937107248424 0.99049161618991 0.06187106641869 72.640 > 49 51 Ge 0.32937107248424 0.99049161618991 0.56187106641869 72.640 > 49 52 Ge 0.82937107248424 0.99049161618991 0.56187106641869 72.640 > 49 53 Ge 0.17062892751576 0.49049161618991 0.18812893358131 72.640 > 53 54 Ge 0.67062892751576 0.49049161618991 0.18812893358131 72.640 > 53 55 Ge 0.17062892751576 0.49049161618991 0.68812893358131 72.640 > 53 56 Ge 0.67062892751576 0.49049161618991 0.68812893358131 72.640 > 53 57 Ge 0.17062892751576 0.00950838381009 0.43812893358131 72.640 > 57 58 Ge 0.67062892751576 0.00950838381009 0.43812893358131 72.640 > 57 59 Ge 0.17062892751576 0.00950838381009 0.93812893358131 72.640 > 57 60 Ge 0.67062892751576 0.00950838381009 0.93812893358131 72.640 > 57 61 Ge 0.32937107248424 0.50950838381009 0.31187106641869 72.640 > 61 62 Ge 0.82937107248424 0.50950838381009 0.31187106641869 72.640 > 61 63 Ge 0.32937107248424 0.50950838381009 0.81187106641869 72.640 > 61 64 Ge 0.82937107248424 0.50950838381009 0.81187106641869 72.640 > 61 65 Se 0.41985710217862 0.37622842571870 0.28496499641865 78.960 > 65 66 Se 0.91985710217862 0.37622842571870 0.28496499641865 78.960 > 65 67 Se 0.41985710217862 0.37622842571870 0.78496499641865 78.960 > 65 68 Se 0.91985710217862 0.37622842571870 0.78496499641865 78.960 > 65 69 Se 0.08014289782138 0.87622842571870 0.46503500358135 78.960 > 69 70 Se 0.58014289782138 0.87622842571870 0.46503500358135 78.960 > 69 71 Se 0.08014289782138 0.87622842571870 0.96503500358135 78.960 > 69 72 Se 0.58014289782138 0.87622842571870 0.96503500358135 78.960 > 69 73 Se 0.08014289782138 0.62377157428130 0.21503500358135 78.960 > 73 74 Se 0.58014289782138 0.62377157428130 0.21503500358135 78.960 > 73 75 Se 0.08014289782138 0.62377157428130 0.71503500358135 78.960 > 73 76 Se 0.58014289782138 0.62377157428130 0.71503500358135 78.960 > 73 77 Se 0.41985710217862 0.12377157428130 0.03496499641865 78.960 > 77 78 Se 0.91985710217862 0.12377157428130 0.03496499641865 78.960 > 77 79 Se 0.41985710217862 0.12377157428130 0.53496499641865 78.960 > 77 80 Se 0.91985710217862 0.12377157428130 0.53496499641865 78.960 > 77 81 Se 0.32945968758757 0.47028329207508 0.45282551982441 78.960 > 81 82 Se 0.82945968758757 0.47028329207508 0.45282551982441 78.960 > 81 83 Se 0.32945968758757 0.47028329207508 0.95282551982441 78.960 > 81 84 Se 0.82945968758757 0.47028329207508 0.95282551982441 78.960 > 81 85 Se 0.17054031241243 0.97028329207508 0.29717448017559 78.960 > 85 86 Se 0.67054031241243 0.97028329207508 0.29717448017559 78.960 > 85 87 Se 0.17054031241243 0.97028329207508 0.79717448017559 78.960 > 85 88 Se 0.67054031241243 0.97028329207508 0.79717448017559 78.960 > 85 89 Se 0.17054031241243 0.52971670792492 0.04717448017559 78.960 > 89 90 Se 0.67054031241243 0.52971670792492 0.04717448017559 78.960 > 89 91 Se 0.17054031241243 0.52971670792492 0.54717448017559 78.960 > 89 92 Se 0.67054031241243 0.52971670792492 0.54717448017559 78.960 > 89 93 Se 0.32945968758757 0.02971670792492 0.20282551982441 78.960 > 93 94 Se 0.82945968758757 0.02971670792492 0.20282551982441 78.960 > 93 95 Se 0.32945968758757 0.02971670792492 0.70282551982441 78.960 > 93 96 Se 0.82945968758757 0.02971670792492 0.70282551982441 78.960 > 93 97 Se 0.37579176491724 0.69804514022911 0.30823685013440 78.960 > 97 98 Se 0.87579176491724 0.69804514022911 0.30823685013440 78.960 > 97 99 Se 0.37579176491724 0.69804514022911 0.80823685013440 78.960 > 97 100 Se 0.87579176491724 0.69804514022911 0.80823685013440 78.960 > 97 101 Se 0.12420823508276 0.19804514022911 0.44176314986560 78.960 > 101 102 Se 0.62420823508276 0.19804514022911 0.44176314986560 78.960 > 101 103 Se 0.12420823508276 0.19804514022911 0.94176314986560 78.960 > 101 104 Se 0.62420823508276 0.19804514022911 0.94176314986560 78.960 > 101 105 Se 0.12420823508276 0.30195485977089 0.19176314986560 78.960 > 105 106 Se 0.62420823508276 0.30195485977089 0.19176314986560 78.960 > 105 107 Se 0.12420823508276 0.30195485977089 0.69176314986560 78.960 > 105 108 Se 0.62420823508276 0.30195485977089 0.69176314986560 78.960 > 105 109 Se 0.37579176491724 0.80195485977089 0.05823685013440 78.960 > 109 110 Se 0.87579176491724 0.80195485977089 0.05823685013440 78.960 > 109 111 Se 0.37579176491724 0.80195485977089 0.55823685013440 78.960 > 109 112 Se 0.87579176491724 0.80195485977089 0.55823685013440 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4975560 0.0000000 -0.0323415 0.0000000 5.5507551 0.0000000 -0.0323800 0.0000000 5.1616026 -------------------------- Born effective charges -------------------------- 1 Na 0.8843099 -0.2124674 -0.1101215 -0.1544784 1.3446803 0.2795977 -0.0626669 0.2120483 1.0617579 2 Na 0.8843099 0.2124674 -0.1101215 0.1544784 1.3446803 -0.2795977 -0.0626669 -0.2120483 1.0617579 3 Na 0.8843099 -0.2124674 -0.1101215 -0.1544784 1.3446803 0.2795977 -0.0626669 0.2120483 1.0617579 4 Na 0.8843099 0.2124674 -0.1101215 0.1544784 1.3446803 -0.2795977 -0.0626669 -0.2120483 1.0617579 5 Na 1.3490100 0.1028353 -0.0776397 0.0864077 1.0348837 -0.1673322 -0.1983299 0.0097043 1.3309062 6 Na 1.3490100 -0.1028353 -0.0776397 -0.0864077 1.0348837 0.1673322 -0.1983299 -0.0097043 1.3309062 7 Na 1.3490100 0.1028353 -0.0776397 0.0864077 1.0348837 -0.1673322 -0.1983299 0.0097043 1.3309062 8 Na 1.3490100 -0.1028353 -0.0776397 -0.0864077 1.0348837 0.1673322 -0.1983299 -0.0097043 1.3309062 9 Na 1.2972007 -0.0875730 0.1876187 0.1039577 1.2603274 0.0122642 0.2485443 0.0728855 1.1960385 10 Na 1.2972007 0.0875730 0.1876187 -0.1039577 1.2603274 -0.0122642 0.2485443 -0.0728855 1.1960385 11 Na 1.2972007 -0.0875730 0.1876187 0.1039577 1.2603274 0.0122642 0.2485443 0.0728855 1.1960385 12 Na 1.2972007 0.0875730 0.1876187 -0.1039577 1.2603274 -0.0122642 0.2485443 -0.0728855 1.1960385 13 Ge 1.8457085 -0.0550528 -0.5762234 0.1010534 2.3111612 -0.0811115 -0.3124351 0.1141654 1.8085298 14 Ge 1.8457085 0.0550528 -0.5762234 -0.1010534 2.3111612 0.0811115 -0.3124351 -0.1141654 1.8085298 15 Ge 1.8457085 -0.0550528 -0.5762234 0.1010534 2.3111612 -0.0811115 -0.3124351 0.1141654 1.8085298 16 Ge 1.8457085 0.0550528 -0.5762234 -0.1010534 2.3111612 0.0811115 -0.3124351 -0.1141654 1.8085298 17 Se -2.3309752 0.7933974 0.1517958 0.8385281 -1.8263913 -0.1910432 -0.0933644 -0.1081179 -1.4527559 18 Se -2.3309752 -0.7933974 0.1517958 -0.8385281 -1.8263913 0.1910432 -0.0933644 0.1081179 -1.4527559 19 Se -2.3309752 0.7933974 0.1517958 0.8385281 -1.8263913 -0.1910432 -0.0933644 -0.1081179 -1.4527559 20 Se -2.3309752 -0.7933974 0.1517958 -0.8385281 -1.8263913 0.1910432 -0.0933644 0.1081179 -1.4527559 21 Se -1.4258878 -0.1790090 0.2765226 -0.1528947 -1.5109936 0.0390121 0.3597852 0.1670529 -2.5688884 22 Se -1.4258878 0.1790090 0.2765226 0.1528947 -1.5109936 -0.0390121 0.3597852 -0.1670529 -2.5688884 23 Se -1.4258878 -0.1790090 0.2765226 -0.1528947 -1.5109936 0.0390121 0.3597852 0.1670529 -2.5688884 24 Se -1.4258878 0.1790090 0.2765226 0.1528947 -1.5109936 -0.0390121 0.3597852 -0.1670529 -2.5688884 25 Se -1.6193661 -0.7724710 0.1480474 -0.4904437 -2.6136676 -0.1190307 0.0584667 -0.2123992 -1.3755880 26 Se -1.6193661 0.7724710 0.1480474 0.4904437 -2.6136676 0.1190307 0.0584667 0.2123992 -1.3755880 27 Se -1.6193661 -0.7724710 0.1480474 -0.4904437 -2.6136676 -0.1190307 0.0584667 -0.2123992 -1.3755880 28 Se -1.6193661 0.7724710 0.1480474 0.4904437 -2.6136676 0.1190307 0.0584667 0.2123992 -1.3755880 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000056 (xxy) 0.00000056 (xxy) 0.00000056 (xyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 7 ] 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: 0.47, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.737 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.399 ( 0.000 0.000 0.000) 0.000 1.436 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.546 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.970 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 15.508 0.000 5.269) 16.379 0.392 ( 15.025 0.000 12.220) 19.366 0.711 ( 26.516 0.000 23.740) 35.591 0.745 ( 4.059 0.000 -5.138) 6.547 1.182 ( -1.120 0.000 -1.648) 1.992 1.270 ( -0.897 0.000 2.887) 3.024 1.270 ( -1.311 0.000 -1.289) 1.838 1.437 ( 3.102 0.000 -2.841) 4.206 1.468 ( 0.531 0.000 4.431) 4.463 1.587 ( -2.750 0.000 -1.995) 3.398 1.654 ( -2.312 0.000 3.775) 4.426 1.709 ( -2.717 0.000 -0.994) 2.893 1.755 ( -4.919 0.000 -2.539) 5.536 1.827 ( 5.204 0.000 -1.486) 5.411 1.911 ( -1.034 0.000 -1.072) 1.489 1.950 ( -2.858 0.000 -7.685) 8.199 2.022 ( -1.115 0.000 0.462) 1.207 2.171 ( -0.706 0.000 -0.416) 0.819 2.204 ( -0.641 0.000 -1.307) 1.456 2.223 ( 0.201 0.000 -4.254) 4.258 2.345 ( -2.563 0.000 5.589) 6.149 2.353 ( 0.082 0.000 1.076) 1.079 2.445 ( -2.405 0.000 2.165) 3.236 2.485 ( 5.648 0.000 -8.561) 10.256 2.571 ( -0.121 0.000 4.740) 4.741 2.577 ( 1.939 0.000 -2.213) 2.943 2.648 ( -3.604 0.000 -2.768) 4.544 2.678 ( -1.480 0.000 3.116) 3.450 2.763 ( 0.726 0.000 -1.599) 1.756 2.839 ( -0.692 0.000 -8.035) 8.065 2.868 ( -4.394 0.000 -6.374) 7.742 2.975 ( 0.710 0.000 2.573) 2.669 2.986 ( -0.964 0.000 4.487) 4.590 3.044 ( -4.138 0.000 -4.800) 6.337 3.054 ( -3.051 0.000 5.752) 6.511 3.121 ( 0.760 0.000 -5.217) 5.272 3.193 ( 1.369 0.000 -5.160) 5.339 3.197 ( -0.844 0.000 0.329) 0.905 3.219 ( -1.954 0.000 -1.530) 2.482 3.227 ( 1.435 0.000 1.452) 2.041 3.366 ( 2.718 0.000 0.544) 2.772 3.387 ( 2.635 0.000 1.579) 3.072 3.471 ( 1.229 0.000 -1.496) 1.936 3.515 ( 6.959 0.000 -0.479) 6.976 3.529 ( 1.454 0.000 0.491) 1.535 3.588 ( -4.308 0.000 0.961) 4.414 3.773 ( -1.760 0.000 3.606) 4.013 3.878 ( -1.310 0.000 -1.095) 1.707 3.890 ( 0.893 0.000 -6.429) 6.490 3.935 ( 1.322 0.000 0.162) 1.332 3.965 ( -0.032 0.000 1.741) 1.741 4.049 ( 0.056 0.000 -1.566) 1.567 4.138 ( 1.145 0.000 -0.019) 1.145 4.171 ( 5.177 0.000 -10.643) 11.835 4.241 ( -1.670 0.000 6.232) 6.451 4.361 ( -0.517 0.000 -0.284) 0.590 4.419 ( 1.871 0.000 2.047) 2.773 4.560 ( 0.102 0.000 -3.103) 3.105 4.687 ( -0.941 0.000 1.496) 1.767 4.701 ( -0.039 0.000 0.572) 0.574 4.749 ( -1.492 0.000 2.593) 2.991 5.013 ( 2.616 0.000 -5.940) 6.490 5.093 ( 0.371 0.000 -0.934) 1.005 5.180 ( 0.026 0.000 -1.942) 1.942 5.324 ( 4.930 0.000 2.867) 5.703 5.521 ( 2.521 0.000 2.956) 3.886 5.540 ( -6.482 0.000 3.789) 7.508 5.698 ( -0.185 0.000 7.021) 7.024 5.921 ( 0.535 0.000 1.044) 1.173 5.958 ( -0.110 0.000 -0.091) 0.143 6.032 ( -0.510 0.000 0.993) 1.116 6.202 ( -0.756 0.000 -2.590) 2.698 6.396 ( -0.461 0.000 -0.645) 0.792 6.860 ( -10.860 0.000 17.577) 20.662 8.158 ( -3.692 0.000 -4.009) 5.450 8.217 ( 2.909 0.000 1.159) 3.131 8.288 ( -0.601 0.000 0.347) 0.694 8.352 ( 1.912 0.000 3.758) 4.217 8.482 ( 8.311 0.000 -14.285) 16.527 8.520 ( -3.214 0.000 2.660) 4.171 8.642 ( 3.386 0.000 -2.580) 4.257 8.695 ( -0.954 0.000 -1.296) 1.609 8.986 ( 1.391 0.000 0.648) 1.534 9.044 ( -0.680 0.000 -0.169) 0.701 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.388 0.000 5.355) 15.352 0.731 ( 11.307 0.000 8.360) 14.062 0.790 ( 6.489 0.000 -2.263) 6.872 1.143 ( -0.736 0.000 -2.838) 2.932 1.230 ( -0.997 0.000 -2.411) 2.609 1.291 ( -1.309 0.000 5.092) 5.258 1.331 ( 19.723 0.000 20.170) 28.211 1.448 ( 1.250 0.000 -3.895) 4.090 1.499 ( -3.544 0.000 -3.446) 4.943 1.533 ( 1.295 0.000 5.143) 5.304 1.559 ( -8.503 0.000 -3.383) 9.151 1.625 ( -5.460 0.000 -3.463) 6.465 1.711 ( 0.111 0.000 6.158) 6.159 1.858 ( 2.659 0.000 -5.503) 6.112 1.902 ( 1.074 0.000 -2.937) 3.127 1.920 ( 4.659 0.000 -1.694) 4.957 1.991 ( -2.651 0.000 2.296) 3.507 2.146 ( -0.232 0.000 -2.233) 2.245 2.193 ( 1.665 0.000 -4.600) 4.893 2.209 ( -0.156 0.000 1.180) 1.190 2.330 ( -3.216 0.000 3.899) 5.054 2.343 ( -3.711 0.000 1.153) 3.886 2.443 ( -1.316 0.000 5.880) 6.026 2.477 ( -0.250 0.000 -2.001) 2.017 2.508 ( -8.915 0.000 -1.819) 9.099 2.546 ( -1.073 0.000 -2.153) 2.405 2.605 ( 1.065 0.000 1.712) 2.017 2.635 ( -3.084 0.000 -6.450) 7.150 2.773 ( 1.943 0.000 -3.678) 4.159 2.785 ( -2.824 0.000 -3.334) 4.369 2.794 ( 2.004 0.000 -4.039) 4.509 2.902 ( -2.202 0.000 -0.367) 2.232 2.986 ( -3.719 0.000 -1.853) 4.156 3.021 ( -0.108 0.000 2.331) 2.333 3.080 ( 0.790 0.000 4.974) 5.037 3.092 ( -1.141 0.000 -1.145) 1.616 3.142 ( -0.752 0.000 -2.380) 2.496 3.189 ( 1.600 0.000 -1.320) 2.074 3.230 ( 0.589 0.000 0.944) 1.113 3.274 ( 3.725 0.000 0.132) 3.727 3.349 ( -3.884 0.000 -1.367) 4.118 3.420 ( 1.035 0.000 -3.029) 3.201 3.469 ( 0.697 0.000 -1.965) 2.085 3.525 ( -1.074 0.000 4.222) 4.356 3.579 ( 2.188 0.000 2.272) 3.155 3.672 ( 7.526 0.000 0.945) 7.585 3.711 ( -3.124 0.000 -2.508) 4.006 3.811 ( -3.927 0.000 -2.304) 4.553 3.892 ( 1.925 0.000 -2.873) 3.458 3.920 ( -3.020 0.000 -1.970) 3.605 3.998 ( 0.291 0.000 3.690) 3.701 4.060 ( 1.862 0.000 0.288) 1.884 4.157 ( 1.651 0.000 -3.305) 3.694 4.158 ( 0.532 0.000 0.378) 0.652 4.278 ( 0.899 0.000 1.924) 2.124 4.342 ( -0.484 0.000 -1.744) 1.810 4.469 ( 0.983 0.000 3.095) 3.248 4.542 ( 2.697 0.000 -5.174) 5.835 4.689 ( -1.349 0.000 3.025) 3.312 4.722 ( 1.317 0.000 1.367) 1.898 4.737 ( -2.077 0.000 1.635) 2.644 4.997 ( 0.153 0.000 -2.096) 2.101 5.088 ( 0.209 0.000 -1.153) 1.172 5.165 ( 0.494 0.000 -2.058) 2.116 5.415 ( 2.480 0.000 2.166) 3.292 5.469 ( -4.445 0.000 1.427) 4.669 5.634 ( 5.158 0.000 4.783) 7.034 5.748 ( 0.315 0.000 3.003) 3.020 5.942 ( 0.541 0.000 1.108) 1.233 5.953 ( -0.240 0.000 -0.204) 0.315 6.032 ( -0.045 0.000 0.074) 0.087 6.161 ( -0.528 0.000 -2.987) 3.033 6.372 ( -1.069 0.000 -1.409) 1.768 6.838 ( -4.806 0.000 6.441) 8.036 8.067 ( -2.744 0.000 -3.012) 4.074 8.276 ( 0.191 0.000 -0.691) 0.717 8.296 ( 2.973 0.000 2.606) 3.954 8.385 ( -1.427 0.000 2.628) 2.990 8.494 ( 3.618 0.000 -4.775) 5.990 8.516 ( -0.094 0.000 2.433) 2.434 8.657 ( -1.770 0.000 -1.329) 2.214 8.671 ( 2.472 0.000 -2.147) 3.274 9.021 ( 1.560 0.000 0.717) 1.717 9.025 ( -1.051 0.000 -0.329) 1.101 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 2.613 0.000 -1.393) 2.961 0.900 ( 10.568 0.000 5.437) 11.885 1.007 ( 7.000 0.000 7.394) 10.182 1.083 ( -3.270 0.000 -4.700) 5.725 1.213 ( 3.423 0.000 -3.152) 4.654 1.295 ( -2.729 0.000 2.272) 3.551 1.352 ( -10.443 0.000 -2.958) 10.854 1.399 ( -3.051 0.000 2.931) 4.231 1.446 ( 1.641 0.000 -5.929) 6.152 1.535 ( -1.693 0.000 -1.172) 2.059 1.597 ( 0.531 0.000 2.625) 2.678 1.726 ( 7.688 0.000 8.292) 11.308 1.780 ( 1.893 0.000 3.510) 3.987 1.867 ( -0.775 0.000 -2.369) 2.492 1.891 ( 2.655 0.000 -1.228) 2.925 1.961 ( 2.223 0.000 -1.820) 2.873 2.005 ( 0.174 0.000 2.537) 2.543 2.128 ( 0.252 0.000 -1.194) 1.220 2.199 ( -1.416 0.000 0.513) 1.506 2.204 ( 2.843 0.000 -0.897) 2.981 2.279 ( -3.353 0.000 0.013) 3.353 2.321 ( -3.392 0.000 0.106) 3.394 2.368 ( -2.357 0.000 1.154) 2.625 2.435 ( -0.269 0.000 -1.770) 1.791 2.516 ( -0.045 0.000 5.295) 5.296 2.519 ( -1.123 0.000 -0.718) 1.333 2.544 ( -0.080 0.000 -3.515) 3.516 2.636 ( 0.743 0.000 1.463) 1.641 2.667 ( -4.121 0.000 -2.869) 5.021 2.745 ( 0.312 0.000 -4.627) 4.637 2.800 ( 1.137 0.000 -1.302) 1.728 2.894 ( -2.426 0.000 -3.479) 4.242 2.918 ( 0.537 0.000 1.588) 1.677 3.012 ( -1.534 0.000 0.749) 1.707 3.064 ( -0.953 0.000 -1.715) 1.962 3.110 ( 1.411 0.000 1.510) 2.067 3.183 ( 0.671 0.000 4.058) 4.113 3.191 ( -0.325 0.000 -0.499) 0.595 3.216 ( -0.846 0.000 -2.686) 2.816 3.290 ( -0.700 0.000 0.017) 0.700 3.361 ( 4.798 0.000 0.552) 4.830 3.400 ( -0.425 0.000 -1.232) 1.303 3.461 ( 0.136 0.000 -1.372) 1.379 3.575 ( 0.870 0.000 4.310) 4.397 3.617 ( -0.864 0.000 1.197) 1.476 3.645 ( -1.277 0.000 -3.503) 3.729 3.739 ( -1.618 0.000 0.713) 1.768 3.782 ( 3.606 0.000 0.204) 3.611 3.828 ( -2.974 0.000 -3.511) 4.602 3.895 ( 0.637 0.000 -0.597) 0.873 4.023 ( -0.163 0.000 1.155) 1.166 4.089 ( 0.636 0.000 0.519) 0.821 4.155 ( -0.814 0.000 0.209) 0.840 4.164 ( 0.715 0.000 -0.343) 0.793 4.303 ( -0.316 0.000 2.360) 2.382 4.319 ( 0.564 0.000 -2.992) 3.045 4.509 ( 0.120 0.000 2.621) 2.624 4.547 ( 2.301 0.000 -3.681) 4.341 4.696 ( -0.743 0.000 2.014) 2.147 4.716 ( -1.008 0.000 0.129) 1.016 4.757 ( 1.056 0.000 0.627) 1.228 4.984 ( -0.186 0.000 -0.440) 0.478 5.080 ( -0.041 0.000 -0.570) 0.571 5.159 ( 0.306 0.000 -0.768) 0.826 5.423 ( -1.658 0.000 0.298) 1.685 5.456 ( 0.741 0.000 0.820) 1.106 5.741 ( 2.355 0.000 2.212) 3.231 5.768 ( -0.050 0.000 0.882) 0.883 5.947 ( -0.151 0.000 -0.113) 0.189 5.956 ( 0.202 0.000 0.438) 0.482 6.032 ( -0.012 0.000 -0.025) 0.027 6.135 ( -0.035 0.000 -1.242) 1.242 6.342 ( -0.699 0.000 -0.872) 1.118 6.823 ( -1.471 0.000 1.786) 2.313 8.014 ( -1.015 0.000 -1.133) 1.521 8.269 ( -0.246 0.000 -0.091) 0.262 8.364 ( 1.919 0.000 1.010) 2.169 8.376 ( -1.021 0.000 0.940) 1.388 8.511 ( 1.338 0.000 -0.942) 1.637 8.540 ( 0.416 0.000 1.052) 1.131 8.617 ( -1.191 0.000 -0.853) 1.465 8.685 ( 0.889 0.000 -0.872) 1.245 9.007 ( -0.550 0.000 -0.194) 0.583 9.046 ( 0.640 0.000 0.296) 0.705 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 0.000 12.778 0.000) 12.778 0.391 ( 0.000 18.169 0.000) 18.169 0.659 ( 0.000 18.859 0.000) 18.859 0.695 ( 0.000 5.796 0.000) 5.796 1.065 ( 0.000 -11.614 0.000) 11.614 1.270 ( 0.000 -0.175 0.000) 0.175 1.272 ( 0.000 -1.562 0.000) 1.562 1.337 ( 0.000 -4.802 0.000) 4.802 1.431 ( 0.000 -0.388 0.000) 0.388 1.564 ( 0.000 -3.779 0.000) 3.779 1.625 ( 0.000 -3.877 0.000) 3.877 1.736 ( 0.000 -6.583 0.000) 6.583 1.737 ( 0.000 1.090 0.000) 1.090 1.771 ( 0.000 -3.320 0.000) 3.320 1.918 ( 0.000 -0.353 0.000) 0.353 1.970 ( 0.000 -0.970 0.000) 0.970 2.142 ( 0.000 0.725 0.000) 0.725 2.171 ( 0.000 -1.982 0.000) 1.982 2.224 ( 0.000 0.145 0.000) 0.145 2.251 ( 0.000 0.667 0.000) 0.667 2.280 ( 0.000 -0.958 0.000) 0.958 2.307 ( 0.000 3.517 0.000) 3.517 2.395 ( 0.000 -2.770 0.000) 2.770 2.473 ( 0.000 -4.345 0.000) 4.345 2.567 ( 0.000 1.439 0.000) 1.439 2.575 ( 0.000 7.214 0.000) 7.214 2.715 ( 0.000 0.635 0.000) 0.635 2.727 ( 0.000 -3.049 0.000) 3.049 2.796 ( 0.000 4.272 0.000) 4.272 2.918 ( 0.000 0.419 0.000) 0.419 2.937 ( 0.000 -0.357 0.000) 0.357 3.024 ( 0.000 -1.029 0.000) 1.029 3.038 ( 0.000 4.147 0.000) 4.147 3.050 ( 0.000 -0.605 0.000) 0.605 3.145 ( 0.000 -1.894 0.000) 1.894 3.149 ( 0.000 -0.143 0.000) 0.143 3.199 ( 0.000 0.341 0.000) 0.341 3.211 ( 0.000 1.388 0.000) 1.388 3.249 ( 0.000 -4.094 0.000) 4.094 3.306 ( 0.000 1.510 0.000) 1.510 3.340 ( 0.000 1.828 0.000) 1.828 3.344 ( 0.000 0.356 0.000) 0.356 3.478 ( 0.000 1.123 0.000) 1.123 3.531 ( 0.000 0.060 0.000) 0.060 3.649 ( 0.000 1.349 0.000) 1.349 3.660 ( 0.000 1.363 0.000) 1.363 3.731 ( 0.000 2.823 0.000) 2.823 3.875 ( 0.000 -2.135 0.000) 2.135 3.935 ( 0.000 -3.579 0.000) 3.579 3.970 ( 0.000 -0.074 0.000) 0.074 4.051 ( 0.000 1.273 0.000) 1.273 4.081 ( 0.000 -1.578 0.000) 1.578 4.115 ( 0.000 1.159 0.000) 1.159 4.129 ( 0.000 -1.044 0.000) 1.044 4.220 ( 0.000 1.797 0.000) 1.797 4.311 ( 0.000 -2.801 0.000) 2.801 4.448 ( 0.000 3.456 0.000) 3.456 4.565 ( 0.000 -1.360 0.000) 1.360 4.696 ( 0.000 0.493 0.000) 0.493 4.703 ( 0.000 0.127 0.000) 0.127 4.893 ( 0.000 0.109 0.000) 0.109 4.899 ( 0.000 -0.459 0.000) 0.459 5.097 ( 0.000 0.277 0.000) 0.277 5.118 ( 0.000 -0.587 0.000) 0.587 5.210 ( 0.000 0.935 0.000) 0.935 5.242 ( 0.000 -0.688 0.000) 0.688 5.498 ( 0.000 0.945 0.000) 0.945 5.580 ( 0.000 -1.967 0.000) 1.967 5.971 ( 0.000 1.030 0.000) 1.030 6.020 ( 0.000 -0.838 0.000) 0.838 6.108 ( 0.000 2.074 0.000) 2.074 6.206 ( 0.000 -1.572 0.000) 1.572 6.438 ( 0.000 0.714 0.000) 0.714 6.489 ( 0.000 -1.225 0.000) 1.225 8.193 ( 0.000 0.788 0.000) 0.788 8.248 ( 0.000 -1.512 0.000) 1.512 8.329 ( 0.000 3.315 0.000) 3.315 8.451 ( 0.000 3.097 0.000) 3.097 8.507 ( 0.000 -3.329 0.000) 3.329 8.592 ( 0.000 -2.311 0.000) 2.311 8.721 ( 0.000 1.489 0.000) 1.489 8.785 ( 0.000 -1.014 0.000) 1.014 8.980 ( 0.000 0.971 0.000) 0.971 9.038 ( 0.000 -1.126 0.000) 1.126 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 11.371 6.794 2.045) 13.403 0.528 ( 11.401 10.695 4.690) 16.321 0.702 ( 4.275 -3.621 -3.713) 6.722 0.932 ( 14.449 16.608 16.836) 27.714 1.089 ( 3.190 -9.105 -0.849) 9.685 1.246 ( -2.865 -1.139 0.335) 3.101 1.258 ( -2.687 -1.553 2.151) 3.776 1.335 ( 0.560 -5.001 0.258) 5.038 1.443 ( 1.868 -2.921 -2.658) 4.368 1.547 ( -1.572 -0.959 0.423) 1.890 1.635 ( -2.007 -2.729 -0.241) 3.396 1.717 ( 0.359 -7.539 -1.092) 7.626 1.723 ( -1.838 0.227 2.864) 3.411 1.773 ( 0.190 -0.222 0.164) 0.335 1.893 ( 0.035 0.053 -2.632) 2.633 1.998 ( 0.490 -1.406 2.027) 2.515 2.034 ( -3.717 5.058 -6.230) 8.844 2.182 ( -1.918 -0.529 3.360) 3.906 2.203 ( -4.001 -1.300 0.845) 4.291 2.236 ( 0.636 -0.705 -4.455) 4.555 2.279 ( 4.115 -2.507 -2.018) 5.224 2.335 ( -0.993 1.864 1.711) 2.718 2.411 ( 1.969 -3.014 -0.655) 3.660 2.496 ( -0.139 1.471 0.177) 1.488 2.579 ( -1.094 1.812 5.842) 6.214 2.591 ( -0.035 -0.304 -1.468) 1.500 2.684 ( -0.382 -0.494 0.453) 0.771 2.710 ( -4.133 0.348 -0.340) 4.161 2.800 ( -3.521 -0.439 -5.379) 6.444 2.807 ( 0.411 4.188 -2.198) 4.748 2.876 ( -3.080 -1.020 -5.139) 6.077 3.000 ( -3.019 -1.068 -0.254) 3.213 3.032 ( -2.173 2.559 0.476) 3.391 3.061 ( -1.443 2.273 0.165) 2.697 3.092 ( -2.592 2.009 -1.624) 3.659 3.130 ( -0.742 0.250 -4.670) 4.735 3.183 ( -0.456 3.618 2.780) 4.585 3.202 ( 1.130 0.304 0.175) 1.183 3.259 ( -1.265 0.571 -0.963) 1.689 3.281 ( 0.001 2.173 -0.882) 2.346 3.359 ( 1.232 -0.129 0.489) 1.332 3.371 ( 2.955 -3.215 -0.519) 4.397 3.478 ( 0.881 -1.206 -0.874) 1.731 3.516 ( -2.390 -0.778 1.949) 3.180 3.571 ( -2.005 3.854 -4.269) 6.091 3.615 ( -1.362 2.572 -1.769) 3.406 3.796 ( 2.117 1.585 3.543) 4.421 3.861 ( -2.377 0.795 -2.579) 3.597 3.878 ( 1.046 -1.592 -2.776) 3.367 3.938 ( -2.312 -0.171 1.427) 2.722 4.005 ( -0.125 2.068 -2.411) 3.179 4.076 ( -1.044 -0.707 1.562) 2.007 4.094 ( 3.399 -0.115 -2.806) 4.409 4.168 ( 5.916 -0.742 -8.614) 10.476 4.267 ( -0.682 1.565 4.924) 5.212 4.333 ( 0.462 -1.867 1.696) 2.564 4.455 ( 0.608 2.587 0.621) 2.729 4.549 ( 0.089 -1.125 -2.630) 2.862 4.690 ( -1.660 0.265 1.097) 2.007 4.706 ( -2.349 0.130 4.612) 5.177 4.791 ( -0.452 3.541 -2.775) 4.522 4.966 ( 2.715 -3.864 -5.789) 7.471 5.099 ( -0.021 1.099 0.342) 1.151 5.189 ( -0.137 -0.467 1.191) 1.286 5.318 ( 5.080 -0.521 3.138) 5.994 5.387 ( 5.511 -7.638 11.682) 15.006 5.529 ( 1.765 0.374 3.049) 3.543 5.593 ( 1.876 -2.639 2.373) 4.015 5.969 ( -0.157 1.100 0.023) 1.112 6.016 ( 0.715 -0.015 -2.475) 2.576 6.049 ( -3.584 4.259 0.638) 5.603 6.184 ( -0.924 -1.695 -2.440) 3.111 6.421 ( -0.290 2.103 -0.632) 2.215 6.619 ( 3.253 -9.920 7.852) 13.063 8.221 ( 2.243 0.363 0.739) 2.390 8.239 ( -0.310 -0.202 -1.719) 1.758 8.335 ( -1.186 4.826 0.928) 5.055 8.416 ( -4.666 3.689 4.020) 7.179 8.496 ( -2.775 -1.976 3.020) 4.553 8.589 ( 0.518 -2.392 -3.121) 3.966 8.630 ( -1.315 5.615 -9.533) 11.142 8.707 ( -0.826 0.513 -2.717) 2.885 8.993 ( 1.026 0.608 0.526) 1.303 9.034 ( -0.429 -0.876 -0.067) 0.977 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 12.407 0.559 1.769) 12.545 0.745 ( 6.650 -2.408 -3.662) 7.965 0.802 ( 9.205 4.805 8.650) 13.514 1.132 ( 2.967 -3.041 -0.765) 4.317 1.189 ( -1.064 -4.022 0.113) 4.162 1.243 ( -2.066 -3.512 3.961) 5.683 1.326 ( -0.742 -3.030 -0.053) 3.120 1.351 ( 9.223 0.364 9.882) 13.523 1.430 ( 1.758 -3.474 -4.886) 6.248 1.532 ( -2.353 -0.414 1.338) 2.738 1.544 ( -3.089 -0.210 -0.087) 3.097 1.713 ( -2.103 -3.905 -1.185) 4.591 1.760 ( 2.302 4.238 2.801) 5.577 1.797 ( 1.654 1.067 3.825) 4.301 1.886 ( 1.943 0.756 -1.411) 2.517 1.957 ( 1.250 1.114 -4.203) 4.524 2.030 ( -1.006 2.854 3.076) 4.315 2.120 ( -1.949 -3.955 -1.473) 4.648 2.171 ( -2.493 -0.525 0.627) 2.624 2.214 ( -0.193 0.296 -4.398) 4.412 2.307 ( -4.281 0.264 2.529) 4.979 2.320 ( 0.908 -1.869 2.827) 3.508 2.423 ( -0.842 -4.313 -1.416) 4.617 2.484 ( -2.323 1.432 2.531) 3.722 2.540 ( -0.619 3.296 -2.489) 4.176 2.580 ( -4.615 1.589 -0.249) 4.887 2.613 ( -0.511 0.210 -1.419) 1.522 2.674 ( -2.628 1.906 -4.868) 5.851 2.745 ( 2.575 -1.353 -3.209) 4.331 2.773 ( -1.916 0.450 -0.315) 1.993 2.822 ( 1.409 2.068 -2.783) 3.743 2.940 ( -2.218 0.178 -1.479) 2.672 2.984 ( -4.303 0.477 -1.483) 4.576 3.032 ( -2.304 3.190 0.828) 4.021 3.062 ( 0.786 -0.260 -0.440) 0.938 3.094 ( 0.857 1.657 -0.410) 1.909 3.160 ( -0.738 0.333 -3.210) 3.310 3.225 ( -1.138 1.759 2.973) 3.637 3.279 ( 0.405 0.672 0.391) 0.877 3.290 ( 2.747 1.458 -0.695) 3.186 3.334 ( -2.986 0.728 1.250) 3.318 3.400 ( 1.754 -3.745 -2.999) 5.108 3.478 ( -2.790 -0.327 -0.455) 2.845 3.509 ( 1.715 -4.866 -1.303) 5.322 3.544 ( 2.081 2.224 2.495) 3.937 3.632 ( 3.049 -1.361 0.224) 3.346 3.755 ( -3.699 3.749 -2.526) 5.841 3.828 ( -3.170 0.424 -1.470) 3.520 3.864 ( 1.757 -0.245 -2.833) 3.343 3.944 ( 0.884 -2.210 0.761) 2.499 3.990 ( -1.315 1.924 -0.003) 2.330 4.093 ( 0.271 0.585 3.298) 3.361 4.142 ( 3.319 0.523 -1.051) 3.520 4.181 ( 3.577 0.552 -5.709) 6.760 4.293 ( -1.096 1.539 3.870) 4.307 4.338 ( -0.677 -0.379 -0.229) 0.808 4.484 ( 1.264 1.308 1.956) 2.672 4.538 ( 2.714 -0.518 -4.070) 4.919 4.677 ( -0.626 -0.972 0.321) 1.200 4.698 ( -3.728 -0.997 5.120) 6.412 4.776 ( 0.807 2.651 -1.595) 3.197 4.943 ( 0.139 -4.255 -3.630) 5.595 5.102 ( 0.052 2.083 0.401) 2.122 5.194 ( 0.062 0.713 0.150) 0.732 5.413 ( 2.433 0.037 2.080) 3.201 5.454 ( -1.528 -1.166 1.777) 2.617 5.628 ( 4.769 -0.383 4.834) 6.802 5.684 ( 2.537 -3.812 4.249) 6.247 5.966 ( -0.228 1.253 0.023) 1.274 5.999 ( 0.004 3.085 -1.384) 3.381 6.026 ( -0.800 0.029 0.676) 1.048 6.142 ( -0.706 -1.771 -2.712) 3.315 6.405 ( -0.714 3.090 -1.126) 3.365 6.694 ( -0.507 -10.057 4.202) 10.911 8.176 ( -3.049 6.256 -2.411) 7.365 8.289 ( 2.274 -0.714 2.282) 3.300 8.306 ( -0.219 3.968 -0.319) 3.987 8.414 ( -2.135 1.888 3.883) 4.816 8.485 ( -0.245 -0.873 1.528) 1.777 8.555 ( 1.144 2.272 -3.899) 4.655 8.597 ( -0.191 -3.804 -1.325) 4.033 8.670 ( 0.129 -1.001 -3.297) 3.448 9.019 ( 1.202 -0.107 0.585) 1.341 9.023 ( -0.646 -0.218 -0.167) 0.702 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 2.866 -3.073 -0.951) 4.308 0.836 ( 5.748 -4.838 1.504) 7.662 1.010 ( 4.701 1.248 6.301) 7.959 1.130 ( 0.698 1.466 -1.313) 2.088 1.204 ( -4.903 -7.802 -1.181) 9.290 1.246 ( 2.130 3.690 -0.340) 4.274 1.260 ( -0.005 -2.983 0.757) 3.078 1.376 ( -1.269 -2.612 -2.396) 3.765 1.430 ( -0.291 -1.319 -2.547) 2.883 1.567 ( 0.256 -0.387 0.189) 0.501 1.607 ( 3.310 -0.898 3.911) 5.202 1.656 ( -2.005 -0.953 2.445) 3.302 1.806 ( 1.064 -2.581 0.050) 2.792 1.881 ( 1.789 0.248 0.530) 1.882 1.920 ( -0.394 -1.118 -2.779) 3.021 1.927 ( 1.153 4.577 2.998) 5.591 2.064 ( 1.343 3.619 2.289) 4.488 2.118 ( 1.336 -1.660 -0.665) 2.232 2.141 ( -0.412 -2.105 0.618) 2.232 2.167 ( -1.371 -3.024 -0.965) 3.458 2.233 ( -4.121 0.874 -0.029) 4.213 2.327 ( -2.281 0.254 0.156) 2.301 2.396 ( -0.178 -1.236 0.240) 1.271 2.472 ( -0.500 -3.756 1.553) 4.095 2.530 ( 0.525 3.553 0.334) 3.607 2.559 ( -0.443 3.265 -1.928) 3.818 2.576 ( 0.016 1.711 2.171) 2.764 2.617 ( -0.695 -0.055 -4.338) 4.394 2.694 ( -1.287 3.515 -1.548) 4.050 2.794 ( 1.294 0.612 -1.742) 2.254 2.810 ( -0.478 3.525 -1.376) 3.814 2.887 ( -2.207 -0.160 -2.266) 3.167 2.930 ( -0.004 0.511 1.622) 1.701 3.011 ( 0.177 2.285 0.097) 2.294 3.062 ( -1.754 -0.492 -1.169) 2.164 3.118 ( 1.402 1.897 0.002) 2.359 3.139 ( 0.586 -1.720 -0.333) 1.847 3.223 ( -1.558 -0.266 2.166) 2.682 3.253 ( -0.790 0.258 -1.276) 1.523 3.310 ( 0.627 0.682 0.523) 1.064 3.369 ( 1.842 0.125 2.188) 2.863 3.390 ( 0.746 -2.224 -2.975) 3.789 3.420 ( -1.643 0.273 -1.354) 2.147 3.535 ( 0.676 -6.618 0.129) 6.654 3.610 ( 1.536 1.822 3.799) 4.484 3.669 ( -1.625 1.108 -1.839) 2.693 3.703 ( 1.852 -0.920 0.222) 2.080 3.754 ( -2.516 0.486 -1.354) 2.898 3.858 ( 0.160 0.965 -2.241) 2.446 3.943 ( -0.197 3.544 -0.954) 3.676 3.980 ( -0.273 -3.019 1.185) 3.255 4.124 ( -0.728 -1.559 2.840) 3.321 4.162 ( 1.184 2.950 -2.530) 4.063 4.189 ( 1.057 1.545 -0.760) 2.020 4.306 ( -0.984 0.535 2.830) 3.044 4.319 ( 0.195 0.093 -2.178) 2.188 4.523 ( 0.529 1.290 1.870) 2.333 4.557 ( 2.390 0.745 -2.503) 3.540 4.670 ( -0.134 -2.389 -0.465) 2.438 4.684 ( -1.930 -1.417 2.650) 3.572 4.785 ( 0.831 1.576 -0.135) 1.787 4.912 ( -0.505 -4.731 -1.499) 4.988 5.107 ( 0.084 2.599 0.247) 2.612 5.195 ( -0.030 1.104 -0.001) 1.105 5.432 ( -0.681 0.897 0.246) 1.152 5.457 ( 0.575 -0.020 0.623) 0.848 5.730 ( 2.205 -0.870 2.209) 3.241 5.737 ( 0.586 -2.014 1.364) 2.502 5.963 ( -0.140 1.285 -0.048) 1.293 5.994 ( 0.052 2.895 -0.127) 2.899 6.021 ( -0.188 -0.920 0.014) 0.939 6.116 ( -0.145 -1.780 -1.098) 2.096 6.383 ( -0.495 3.894 -0.696) 3.986 6.707 ( -0.502 -9.135 1.218) 9.230 8.120 ( -1.211 8.274 -0.893) 8.410 8.293 ( -0.417 2.124 0.409) 2.203 8.360 ( 2.747 -0.528 0.604) 2.862 8.397 ( -2.138 1.024 1.152) 2.635 8.508 ( 0.908 -0.292 0.561) 1.106 8.545 ( 0.248 0.702 -1.017) 1.260 8.579 ( -0.977 -3.163 0.244) 3.320 8.652 ( 0.577 -2.838 -1.824) 3.422 9.012 ( -0.330 0.422 -0.105) 0.546 9.039 ( 0.506 -0.594 0.247) 0.819 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 -10.099 0.000) 10.099 0.521 ( 0.000 10.099 0.000) 10.099 0.760 ( 0.000 -16.362 0.000) 16.362 0.760 ( 0.000 16.362 0.000) 16.362 1.180 ( 0.000 -13.625 0.000) 13.625 1.180 ( 0.000 13.625 0.000) 13.625 1.258 ( 0.000 -0.139 0.000) 0.139 1.258 ( 0.000 0.139 0.000) 0.139 1.473 ( 0.000 -9.481 0.000) 9.481 1.473 ( 0.000 9.481 0.000) 9.481 1.563 ( 0.000 -2.722 0.000) 2.722 1.563 ( 0.000 2.722 0.000) 2.722 1.737 ( 0.000 -0.261 0.000) 0.261 1.737 ( 0.000 0.261 0.000) 0.261 1.942 ( 0.000 -1.360 0.000) 1.360 1.942 ( 0.000 1.360 0.000) 1.360 2.153 ( 0.000 -0.617 0.000) 0.617 2.153 ( 0.000 0.617 0.000) 0.617 2.246 ( 0.000 -2.099 0.000) 2.099 2.246 ( 0.000 2.099 0.000) 2.099 2.320 ( 0.000 -4.046 0.000) 4.046 2.320 ( 0.000 4.046 0.000) 4.046 2.380 ( 0.000 -3.763 0.000) 3.763 2.380 ( 0.000 3.763 0.000) 3.763 2.632 ( 0.000 -4.233 0.000) 4.233 2.632 ( 0.000 4.233 0.000) 4.233 2.698 ( 0.000 -2.771 0.000) 2.771 2.698 ( 0.000 2.771 0.000) 2.771 2.882 ( 0.000 -3.352 0.000) 3.352 2.882 ( 0.000 3.352 0.000) 3.352 2.972 ( 0.000 -3.763 0.000) 3.763 2.972 ( 0.000 3.763 0.000) 3.763 3.095 ( 0.000 -0.232 0.000) 0.232 3.095 ( 0.000 0.232 0.000) 0.232 3.116 ( 0.000 -1.412 0.000) 1.412 3.116 ( 0.000 1.412 0.000) 1.412 3.182 ( 0.000 -1.608 0.000) 1.608 3.182 ( 0.000 1.608 0.000) 1.608 3.300 ( 0.000 -2.568 0.000) 2.568 3.300 ( 0.000 2.568 0.000) 2.568 3.344 ( 0.000 -0.452 0.000) 0.452 3.344 ( 0.000 0.452 0.000) 0.452 3.510 ( 0.000 -1.720 0.000) 1.720 3.510 ( 0.000 1.720 0.000) 1.720 3.678 ( 0.000 -0.544 0.000) 0.544 3.678 ( 0.000 0.544 0.000) 0.544 3.821 ( 0.000 -5.152 0.000) 5.152 3.821 ( 0.000 5.152 0.000) 5.152 3.902 ( 0.000 -3.689 0.000) 3.689 3.902 ( 0.000 3.689 0.000) 3.689 4.085 ( 0.000 -0.945 0.000) 0.945 4.085 ( 0.000 0.945 0.000) 0.945 4.114 ( 0.000 -0.692 0.000) 0.692 4.114 ( 0.000 0.692 0.000) 0.692 4.259 ( 0.000 -2.059 0.000) 2.059 4.259 ( 0.000 2.059 0.000) 2.059 4.519 ( 0.000 -2.961 0.000) 2.961 4.519 ( 0.000 2.961 0.000) 2.961 4.704 ( 0.000 -0.150 0.000) 0.150 4.704 ( 0.000 0.150 0.000) 0.150 4.894 ( 0.000 -0.038 0.000) 0.038 4.894 ( 0.000 0.038 0.000) 0.038 5.106 ( 0.000 -0.527 0.000) 0.527 5.106 ( 0.000 0.527 0.000) 0.527 5.227 ( 0.000 -0.711 0.000) 0.711 5.227 ( 0.000 0.711 0.000) 0.711 5.532 ( 0.000 -2.177 0.000) 2.177 5.532 ( 0.000 2.177 0.000) 2.177 5.997 ( 0.000 -1.295 0.000) 1.295 5.997 ( 0.000 1.295 0.000) 1.295 6.160 ( 0.000 -2.582 0.000) 2.582 6.160 ( 0.000 2.582 0.000) 2.582 6.460 ( 0.000 -1.348 0.000) 1.348 6.460 ( 0.000 1.348 0.000) 1.348 8.216 ( 0.000 -1.331 0.000) 1.331 8.216 ( 0.000 1.331 0.000) 1.331 8.417 ( 0.000 -4.587 0.000) 4.587 8.417 ( 0.000 4.587 0.000) 4.587 8.527 ( 0.000 -3.556 0.000) 3.556 8.527 ( 0.000 3.556 0.000) 3.556 8.756 ( 0.000 -1.615 0.000) 1.615 8.756 ( 0.000 1.615 0.000) 1.615 9.008 ( 0.000 -1.515 0.000) 1.515 9.008 ( 0.000 1.515 0.000) 1.515 ======================= Grid point 16 (10/75) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 7.203 -7.401 -3.998) 11.075 0.558 ( 7.203 7.401 -3.998) 11.075 0.822 ( 5.143 -13.576 2.064) 14.664 0.822 ( 5.143 13.576 2.064) 14.664 1.211 ( -4.169 -3.765 6.368) 8.492 1.211 ( -4.169 3.765 6.368) 8.492 1.259 ( 3.529 -3.610 0.224) 5.053 1.259 ( 3.529 3.610 0.224) 5.053 1.478 ( 1.342 -9.886 -1.248) 10.055 1.478 ( 1.342 9.886 -1.248) 10.055 1.584 ( -0.784 -1.894 1.290) 2.422 1.584 ( -0.784 1.894 1.290) 2.422 1.734 ( 1.747 -1.247 1.459) 2.596 1.734 ( 1.747 1.247 1.459) 2.596 1.940 ( 0.007 -3.261 -0.491) 3.297 1.940 ( 0.007 3.261 -0.491) 3.297 2.149 ( -2.177 -5.173 -4.985) 7.506 2.149 ( -2.177 5.173 -4.985) 7.506 2.180 ( -2.490 -0.863 2.618) 3.715 2.180 ( -2.490 0.863 2.618) 3.715 2.324 ( 2.060 -4.269 -1.560) 4.990 2.324 ( 2.060 4.269 -1.560) 4.990 2.424 ( 0.155 -5.289 2.634) 5.911 2.424 ( 0.155 5.289 2.634) 5.911 2.624 ( -1.252 -1.349 0.010) 1.841 2.624 ( -1.252 1.349 0.010) 1.841 2.681 ( -1.316 -2.310 0.522) 2.709 2.681 ( -1.316 2.310 0.522) 2.709 2.821 ( -5.090 -1.847 -3.128) 6.253 2.821 ( -5.090 1.847 -3.128) 6.253 2.928 ( -0.077 -4.727 -2.399) 5.302 2.928 ( -0.077 4.727 -2.399) 5.302 3.077 ( -0.121 -2.704 -5.274) 5.928 3.077 ( -0.121 2.704 -5.274) 5.928 3.140 ( 0.000 -2.520 1.877) 3.142 3.140 ( 0.000 2.520 1.877) 3.142 3.195 ( 0.075 -2.354 1.154) 2.623 3.195 ( 0.075 2.354 1.154) 2.623 3.299 ( -2.547 -2.629 0.697) 3.726 3.299 ( -2.547 2.629 0.697) 3.726 3.343 ( 2.337 -1.836 0.153) 2.976 3.343 ( 2.337 1.836 0.153) 2.976 3.474 ( -3.489 -1.668 0.147) 3.870 3.474 ( -3.489 1.668 0.147) 3.870 3.631 ( -1.768 -1.514 -3.744) 4.409 3.631 ( -1.768 1.514 -3.744) 4.409 3.839 ( 2.208 -2.172 -0.349) 3.117 3.839 ( 2.208 2.172 -0.349) 3.117 3.907 ( -1.436 -3.038 0.464) 3.392 3.907 ( -1.436 3.038 0.464) 3.392 4.031 ( -1.431 -1.304 -0.336) 1.965 4.031 ( -1.431 1.304 -0.336) 1.965 4.139 ( 4.798 -1.969 -5.199) 7.343 4.139 ( 4.798 1.969 -5.199) 7.343 4.297 ( 0.553 -1.444 3.650) 3.964 4.297 ( 0.553 1.444 3.650) 3.964 4.511 ( 0.039 -2.389 -1.053) 2.611 4.511 ( 0.039 2.389 -1.053) 2.611 4.700 ( -2.378 -0.541 2.663) 3.611 4.700 ( -2.378 0.541 2.663) 3.611 4.877 ( 0.912 -4.275 -4.361) 6.174 4.877 ( 0.912 4.275 -4.361) 6.174 5.142 ( 0.099 -2.814 3.278) 4.321 5.142 ( 0.099 2.814 3.278) 4.321 5.318 ( 6.230 -0.931 4.884) 7.971 5.318 ( 6.230 0.931 4.884) 7.971 5.549 ( 1.216 -1.602 2.242) 3.012 5.549 ( 1.216 1.602 2.242) 3.012 5.996 ( 0.041 -1.276 -0.193) 1.291 5.996 ( 0.041 1.276 -0.193) 1.291 6.131 ( -1.622 -3.239 -1.982) 4.129 6.131 ( -1.622 3.239 -1.982) 4.129 6.484 ( 1.259 -4.055 1.324) 4.448 6.484 ( 1.259 4.055 1.324) 4.448 8.229 ( 1.395 -0.444 -0.040) 1.464 8.229 ( 1.395 0.444 -0.040) 1.464 8.431 ( -0.036 -3.973 2.921) 4.931 8.431 ( -0.036 3.973 2.921) 4.931 8.502 ( -2.708 -4.420 -0.320) 5.193 8.502 ( -2.708 4.420 -0.320) 5.193 8.702 ( -2.252 -1.272 -4.659) 5.329 8.702 ( -2.252 1.272 -4.659) 5.329 9.011 ( 0.249 -1.083 0.205) 1.130 9.011 ( 0.249 1.083 0.205) 1.130 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 8.199 -3.426 -2.763) 9.305 0.672 ( 8.199 3.426 -2.763) 9.305 0.960 ( 6.527 -9.370 4.434) 12.250 0.960 ( 6.527 9.370 4.434) 12.250 1.179 ( -2.764 -2.157 2.728) 4.443 1.179 ( -2.764 2.157 2.728) 4.443 1.313 ( 1.575 -2.256 -2.396) 3.648 1.313 ( 1.575 2.256 -2.396) 3.648 1.509 ( 1.003 -6.063 0.227) 6.150 1.509 ( 1.003 6.063 0.227) 6.150 1.552 ( -0.770 -3.175 2.183) 3.929 1.552 ( -0.770 3.175 2.183) 3.929 1.824 ( 2.319 -0.521 2.729) 3.619 1.824 ( 2.319 0.521 2.729) 3.619 1.947 ( 0.725 -3.363 1.212) 3.647 1.947 ( 0.725 3.363 1.212) 3.647 2.059 ( -2.048 -0.529 0.429) 2.159 2.059 ( -2.048 0.529 0.429) 2.159 2.178 ( -1.024 -1.989 -1.139) 2.510 2.178 ( -1.024 1.989 -1.139) 2.510 2.333 ( -0.087 -3.257 -0.648) 3.322 2.333 ( -0.087 3.257 -0.648) 3.322 2.406 ( -3.407 -6.963 0.231) 7.755 2.406 ( -3.407 6.963 0.231) 7.755 2.597 ( -1.359 -0.819 0.989) 1.870 2.597 ( -1.359 0.819 0.989) 1.870 2.650 ( -1.241 -2.290 -5.514) 6.098 2.650 ( -1.241 2.290 -5.514) 6.098 2.762 ( 1.345 -1.604 1.884) 2.816 2.762 ( 1.345 1.604 1.884) 2.816 2.893 ( -1.987 -3.539 -3.548) 5.390 2.893 ( -1.987 3.539 -3.548) 5.390 3.025 ( -0.706 -2.968 -2.465) 3.922 3.025 ( -0.706 2.968 -2.465) 3.922 3.136 ( -0.778 -2.192 -0.077) 2.327 3.136 ( -0.778 2.192 -0.077) 2.327 3.187 ( -1.053 -4.144 -0.539) 4.310 3.187 ( -1.053 4.144 -0.539) 4.310 3.259 ( -2.437 -1.152 1.146) 2.929 3.259 ( -2.437 1.152 1.146) 2.929 3.398 ( 2.625 -3.321 -1.382) 4.453 3.398 ( 2.625 3.321 -1.382) 4.453 3.422 ( -1.665 -4.231 0.876) 4.630 3.422 ( -1.665 4.231 0.876) 4.630 3.607 ( 1.382 -1.938 -0.656) 2.469 3.607 ( 1.382 1.938 -0.656) 2.469 3.825 ( -3.017 -1.722 -3.590) 4.996 3.825 ( -3.017 1.722 -3.590) 4.996 3.881 ( 0.765 -2.470 0.535) 2.641 3.881 ( 0.765 2.470 0.535) 2.641 4.048 ( 0.311 -3.165 1.495) 3.514 4.048 ( 0.311 3.165 1.495) 3.514 4.175 ( 3.973 -1.198 -3.187) 5.232 4.175 ( 3.973 1.198 -3.187) 5.232 4.325 ( -1.069 -1.011 2.638) 3.020 4.325 ( -1.069 1.011 2.638) 3.020 4.517 ( 2.084 -1.471 -0.842) 2.686 4.517 ( 2.084 1.471 -0.842) 2.686 4.675 ( -2.739 -0.888 1.898) 3.448 4.675 ( -2.739 0.888 1.898) 3.448 4.850 ( 0.255 -4.185 -3.214) 5.283 4.850 ( 0.255 4.185 -3.214) 5.283 5.163 ( -0.163 -3.036 1.736) 3.501 5.163 ( -0.163 3.036 1.736) 3.501 5.428 ( 1.977 -1.210 1.813) 2.943 5.428 ( 1.977 1.210 1.813) 2.943 5.632 ( 3.683 -1.111 4.643) 6.030 5.632 ( 3.683 1.111 4.643) 6.030 5.995 ( -0.018 -1.291 -0.177) 1.303 5.995 ( -0.018 1.291 -0.177) 1.303 6.087 ( -1.097 -3.353 -1.800) 3.961 6.087 ( -1.097 3.353 -1.800) 3.961 6.508 ( 0.312 -6.847 0.638) 6.884 6.508 ( 0.312 6.847 0.638) 6.884 8.257 ( 1.431 -2.313 0.427) 2.753 8.257 ( 1.431 2.313 0.427) 2.753 8.433 ( -3.677 -3.843 -0.450) 5.338 8.433 ( -3.677 3.843 -0.450) 5.338 8.472 ( 0.348 -2.771 3.657) 4.601 8.472 ( 0.348 2.771 3.657) 4.601 8.631 ( -0.451 -2.588 -4.957) 5.610 8.631 ( -0.451 2.588 -4.957) 5.610 9.019 ( 0.303 -0.102 0.221) 0.389 9.019 ( 0.303 0.102 0.221) 0.389 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 2.995 -1.617 -0.526) 3.444 0.756 ( 2.995 1.617 -0.526) 3.444 1.067 ( 1.235 -4.410 2.968) 5.458 1.067 ( 1.235 4.410 2.968) 5.458 1.170 ( -1.539 -3.513 -0.001) 3.835 1.170 ( -1.539 3.513 -0.001) 3.835 1.339 ( 6.067 -1.897 -1.136) 6.457 1.339 ( 6.067 1.897 -1.136) 6.457 1.470 ( -3.377 -6.600 -1.449) 7.554 1.470 ( -3.377 6.600 -1.449) 7.554 1.614 ( 1.868 -1.775 2.369) 3.500 1.614 ( 1.868 1.775 2.369) 3.500 1.826 ( -1.953 -2.647 0.753) 3.374 1.826 ( -1.953 2.647 0.753) 3.374 1.959 ( 1.196 -2.697 -0.974) 3.107 1.959 ( 1.196 2.697 -0.974) 3.107 2.102 ( 0.468 -1.228 3.025) 3.299 2.102 ( 0.468 1.228 3.025) 3.299 2.124 ( -1.620 -1.467 -1.376) 2.583 2.124 ( -1.620 1.467 -1.376) 2.583 2.338 ( -0.031 -2.795 0.940) 2.949 2.338 ( -0.031 2.795 0.940) 2.949 2.346 ( -1.865 -6.175 0.451) 6.467 2.346 ( -1.865 6.175 0.451) 6.467 2.578 ( -0.932 -0.883 -2.797) 3.078 2.578 ( -0.932 0.883 -2.797) 3.078 2.613 ( 0.964 -1.072 0.563) 1.547 2.613 ( 0.964 1.072 0.563) 1.547 2.774 ( -1.431 -3.265 -3.152) 4.759 2.774 ( -1.431 3.265 -3.152) 4.759 2.871 ( 1.931 -3.122 2.503) 4.443 2.871 ( 1.931 3.122 2.503) 4.443 2.996 ( -0.760 -5.735 -1.817) 6.064 2.996 ( -0.760 5.735 -1.817) 6.064 3.127 ( 0.048 -2.373 -0.426) 2.411 3.127 ( 0.048 2.373 -0.426) 2.411 3.165 ( -0.543 -5.597 -0.425) 5.640 3.165 ( -0.543 5.597 -0.425) 5.640 3.235 ( -1.258 -2.665 0.722) 3.034 3.235 ( -1.258 2.665 0.722) 3.034 3.391 ( 0.281 -1.308 -1.332) 1.888 3.391 ( 0.281 1.308 -1.332) 1.888 3.435 ( 0.182 -1.580 0.521) 1.673 3.435 ( 0.182 1.580 0.521) 1.673 3.647 ( 1.310 -1.654 2.590) 3.341 3.647 ( 1.310 1.654 2.590) 3.341 3.744 ( -1.690 -1.795 -3.340) 4.152 3.744 ( -1.690 1.795 -3.340) 4.152 3.901 ( 0.843 -3.212 -0.021) 3.321 3.901 ( 0.843 3.212 -0.021) 3.321 4.044 ( -1.081 -4.868 0.266) 4.994 4.044 ( -1.081 4.868 0.266) 4.994 4.204 ( 1.353 -0.409 -0.784) 1.616 4.204 ( 1.353 0.409 -0.784) 1.616 4.319 ( -0.710 -0.322 0.499) 0.926 4.319 ( -0.710 0.322 0.499) 0.926 4.556 ( 1.723 -1.315 0.385) 2.201 4.556 ( 1.723 1.315 0.385) 2.201 4.651 ( -1.166 -1.041 0.510) 1.644 4.651 ( -1.166 1.041 0.510) 1.644 4.829 ( -0.118 -2.887 -1.162) 3.115 4.829 ( -0.118 2.887 -1.162) 3.115 5.172 ( -0.082 -2.819 0.578) 2.879 5.172 ( -0.082 2.819 0.578) 2.879 5.451 ( 0.268 -0.623 0.296) 0.740 5.451 ( 0.268 0.623 0.296) 0.740 5.715 ( 1.585 -0.144 1.961) 2.526 5.715 ( 1.585 0.144 1.961) 2.526 5.993 ( -0.060 -1.424 -0.067) 1.427 5.993 ( -0.060 1.424 -0.067) 1.427 6.063 ( -0.301 -3.091 -0.667) 3.177 6.063 ( -0.301 3.091 -0.667) 3.177 6.511 ( -0.098 -8.176 0.078) 8.177 6.511 ( -0.098 8.176 0.078) 8.177 8.281 ( 0.588 -5.238 0.646) 5.310 8.281 ( 0.588 5.238 0.646) 5.310 8.378 ( -1.426 -2.806 -0.901) 3.274 8.378 ( -1.426 2.806 -0.901) 3.274 8.515 ( 0.214 -1.619 3.379) 3.753 8.515 ( 0.214 1.619 3.379) 3.753 8.587 ( 0.014 -2.800 -3.440) 4.435 8.587 ( 0.014 2.800 -3.440) 4.435 9.024 ( 0.133 -0.702 0.090) 0.720 9.024 ( 0.133 0.702 0.090) 0.720 ======================= Grid point 35 (13/75) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.408 0.000 17.040) 17.045 0.382 ( 4.288 0.000 18.191) 18.689 0.683 ( 7.623 0.000 32.765) 33.640 0.785 ( -8.441 0.000 5.101) 9.863 1.204 ( -1.998 0.000 -0.019) 1.998 1.248 ( 1.167 0.000 -2.571) 2.823 1.278 ( 1.170 0.000 1.244) 1.708 1.403 ( -1.684 0.000 1.123) 2.024 1.505 ( 2.126 0.000 5.537) 5.931 1.612 ( -2.154 0.000 -0.938) 2.349 1.630 ( 6.333 0.000 -3.299) 7.141 1.698 ( 0.318 0.000 -2.675) 2.694 1.780 ( -1.855 0.000 -1.328) 2.281 1.830 ( -2.883 0.000 -2.655) 3.919 1.911 ( -2.171 0.000 -2.036) 2.976 1.942 ( -3.668 0.000 -6.046) 7.071 2.028 ( 1.449 0.000 5.784) 5.963 2.163 ( -0.362 0.000 -2.766) 2.790 2.206 ( 1.406 0.000 -3.494) 3.767 2.211 ( -1.754 0.000 -0.480) 1.819 2.251 ( -2.629 0.000 0.249) 2.640 2.395 ( -1.618 0.000 -1.190) 2.009 2.434 ( 1.520 0.000 7.942) 8.086 2.514 ( -1.031 0.000 3.921) 4.054 2.517 ( 3.112 0.000 -1.516) 3.462 2.631 ( 0.391 0.000 5.341) 5.355 2.680 ( -2.937 0.000 -0.464) 2.974 2.716 ( -0.095 0.000 0.949) 0.954 2.726 ( 0.597 0.000 -2.316) 2.391 2.793 ( -4.182 0.000 -6.950) 8.111 2.898 ( -5.320 0.000 -4.533) 6.989 2.947 ( 3.286 0.000 -0.164) 3.290 3.007 ( 2.586 0.000 2.943) 3.918 3.080 ( -1.326 0.000 -5.371) 5.532 3.085 ( -4.567 0.000 -3.447) 5.722 3.121 ( 2.273 0.000 4.760) 5.275 3.157 ( -2.830 0.000 -0.675) 2.909 3.204 ( -0.638 0.000 -3.813) 3.866 3.233 ( 0.053 0.000 0.067) 0.086 3.260 ( -0.943 0.000 3.949) 4.060 3.298 ( 0.571 0.000 0.269) 0.631 3.391 ( 5.001 0.000 2.987) 5.825 3.436 ( -1.920 0.000 -0.262) 1.938 3.490 ( -3.385 0.000 0.926) 3.510 3.540 ( -0.338 0.000 2.746) 2.767 3.629 ( -0.266 0.000 -1.142) 1.173 3.723 ( 6.524 0.000 -2.099) 6.854 3.729 ( 4.681 0.000 -0.089) 4.682 3.852 ( -1.923 0.000 -5.360) 5.695 3.883 ( 0.332 0.000 -3.978) 3.992 3.989 ( -1.728 0.000 0.744) 1.881 4.051 ( 0.141 0.000 0.141) 0.199 4.115 ( -0.202 0.000 -2.889) 2.896 4.137 ( -0.283 0.000 0.916) 0.958 4.389 ( 3.072 0.000 0.588) 3.128 4.422 ( -5.917 0.000 4.557) 7.468 4.434 ( -7.761 0.000 1.229) 7.858 4.558 ( -2.255 0.000 -1.849) 2.916 4.687 ( 0.344 0.000 1.903) 1.934 4.702 ( 1.453 0.000 0.182) 1.465 4.856 ( -2.497 0.000 6.935) 7.370 4.906 ( 3.005 0.000 -0.358) 3.026 5.094 ( -0.902 0.000 -0.028) 0.903 5.162 ( -0.849 0.000 -2.903) 3.024 5.261 ( 4.200 0.000 1.156) 4.356 5.510 ( 2.062 0.000 2.165) 2.990 5.578 ( 1.734 0.000 -1.733) 2.452 5.649 ( 8.043 0.000 1.974) 8.282 5.921 ( 0.623 0.000 0.972) 1.154 5.957 ( 0.100 0.000 -0.166) 0.194 6.153 ( -7.441 0.000 -1.144) 7.528 6.192 ( -1.273 0.000 -2.689) 2.975 6.405 ( -0.919 0.000 0.095) 0.924 6.764 ( 24.154 0.000 -3.881) 24.464 8.174 ( 2.132 0.000 -1.176) 2.435 8.181 ( -3.620 0.000 -3.829) 5.270 8.311 ( 1.217 0.000 2.030) 2.367 8.348 ( 3.088 0.000 4.323) 5.312 8.530 ( 4.652 0.000 -1.133) 4.788 8.635 ( -4.677 0.000 1.255) 4.842 8.683 ( -11.112 0.000 -1.646) 11.233 8.688 ( -15.310 0.000 -0.524) 15.319 8.978 ( 0.353 0.000 0.722) 0.804 9.044 ( -0.005 0.000 -0.565) 0.565 ======================= Grid point 36 (14/75) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 5.651 0.000 14.379) 15.449 0.661 ( 6.527 0.000 10.385) 12.266 0.746 ( 0.717 0.000 7.761) 7.794 1.159 ( -1.717 0.000 0.216) 1.731 1.202 ( 15.476 0.000 18.395) 24.039 1.227 ( -0.951 0.000 -1.967) 2.184 1.367 ( 4.992 0.000 4.890) 6.988 1.371 ( -2.371 0.000 2.610) 3.526 1.558 ( -3.014 0.000 -1.243) 3.260 1.592 ( -0.010 0.000 5.936) 5.936 1.630 ( -2.436 0.000 -2.474) 3.472 1.708 ( -6.913 0.000 -2.743) 7.438 1.730 ( 3.942 0.000 -1.571) 4.243 1.768 ( 2.263 0.000 -1.688) 2.824 1.839 ( -0.609 0.000 -2.459) 2.534 1.859 ( -0.421 0.000 -3.347) 3.374 2.067 ( -1.496 0.000 3.759) 4.046 2.109 ( -0.111 0.000 -4.462) 4.463 2.142 ( -1.261 0.000 -2.568) 2.861 2.217 ( 0.380 0.000 1.923) 1.960 2.367 ( 5.218 0.000 -2.412) 5.749 2.378 ( 1.384 0.000 0.559) 1.492 2.458 ( -5.322 0.000 4.070) 6.700 2.536 ( -0.786 0.000 4.622) 4.688 2.537 ( 0.741 0.000 -0.934) 1.192 2.593 ( -3.680 0.000 -4.191) 5.577 2.659 ( -3.666 0.000 2.824) 4.628 2.685 ( -10.112 0.000 -3.773) 10.793 2.699 ( 2.319 0.000 -4.789) 5.321 2.728 ( 0.682 0.000 -0.513) 0.853 2.789 ( 2.445 0.000 2.573) 3.549 2.948 ( -5.598 0.000 -3.848) 6.793 3.006 ( -1.580 0.000 -3.602) 3.933 3.027 ( 3.682 0.000 0.528) 3.719 3.086 ( 2.419 0.000 2.580) 3.536 3.090 ( -2.432 0.000 -1.519) 2.867 3.125 ( -2.118 0.000 -5.539) 5.930 3.186 ( -0.675 0.000 3.859) 3.918 3.250 ( -0.289 0.000 3.425) 3.437 3.271 ( -0.969 0.000 2.105) 2.318 3.321 ( 2.012 0.000 -4.127) 4.591 3.418 ( -0.559 0.000 0.521) 0.764 3.458 ( -0.586 0.000 -0.183) 0.614 3.528 ( 6.365 0.000 1.977) 6.665 3.569 ( 1.420 0.000 3.096) 3.407 3.608 ( -0.657 0.000 0.687) 0.950 3.696 ( -1.540 0.000 -9.427) 9.552 3.770 ( 1.112 0.000 -5.516) 5.627 3.831 ( 2.365 0.000 0.660) 2.456 3.905 ( 6.215 0.000 -2.786) 6.811 4.013 ( 1.847 0.000 1.633) 2.465 4.021 ( -3.282 0.000 -0.712) 3.358 4.110 ( 1.744 0.000 -0.798) 1.918 4.154 ( 0.996 0.000 1.361) 1.687 4.329 ( -4.724 0.000 3.020) 5.607 4.399 ( -3.724 0.000 2.791) 4.654 4.449 ( 1.937 0.000 -0.315) 1.963 4.498 ( -1.227 0.000 -1.203) 1.718 4.703 ( -0.173 0.000 1.195) 1.207 4.732 ( 0.927 0.000 2.747) 2.899 4.852 ( -4.251 0.000 5.042) 6.595 4.956 ( 2.426 0.000 -1.286) 2.746 5.081 ( -0.320 0.000 -0.408) 0.519 5.130 ( 0.459 0.000 -2.610) 2.650 5.372 ( 5.018 0.000 1.937) 5.379 5.532 ( -3.230 0.000 -2.407) 4.028 5.597 ( 4.341 0.000 4.277) 6.094 5.738 ( 2.448 0.000 -0.320) 2.469 5.943 ( 0.616 0.000 0.985) 1.162 5.954 ( -0.199 0.000 -0.213) 0.292 6.062 ( -2.891 0.000 0.443) 2.925 6.143 ( -0.966 0.000 -2.719) 2.886 6.384 ( -1.215 0.000 -0.560) 1.338 6.907 ( 3.078 0.000 -6.789) 7.454 8.087 ( -3.193 0.000 -3.030) 4.402 8.215 ( 2.872 0.000 -0.747) 2.967 8.319 ( -2.385 0.000 3.235) 4.019 8.423 ( 0.844 0.000 3.412) 3.515 8.476 ( -2.809 0.000 4.626) 5.412 8.565 ( -3.637 0.000 0.278) 3.647 8.602 ( 4.041 0.000 0.093) 4.042 8.660 ( -0.897 0.000 -2.307) 2.475 9.001 ( 1.318 0.000 0.664) 1.476 9.034 ( -0.507 0.000 -0.682) 0.850 ======================= Grid point 37 (15/75) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 3.340 0.000 0.928) 3.466 0.801 ( 9.030 0.000 9.804) 13.329 0.977 ( 7.947 0.000 11.363) 13.866 1.110 ( -2.869 0.000 -0.608) 2.933 1.185 ( -1.826 0.000 -1.580) 2.415 1.300 ( -2.139 0.000 -4.544) 5.023 1.416 ( 2.478 0.000 1.957) 3.157 1.471 ( -2.593 0.000 0.011) 2.593 1.493 ( -7.752 0.000 -2.475) 8.138 1.591 ( -4.524 0.000 0.369) 4.539 1.639 ( -1.731 0.000 2.696) 3.204 1.685 ( 7.456 0.000 12.648) 14.682 1.771 ( 2.649 0.000 2.708) 3.788 1.821 ( 2.991 0.000 -1.448) 3.323 1.832 ( 0.819 0.000 -3.025) 3.134 1.874 ( 5.638 0.000 -1.167) 5.757 2.062 ( -2.587 0.000 2.720) 3.754 2.102 ( 1.316 0.000 -0.351) 1.362 2.148 ( 3.224 0.000 1.520) 3.565 2.231 ( -1.024 0.000 0.559) 1.167 2.340 ( -2.175 0.000 -1.252) 2.510 2.374 ( -4.045 0.000 -0.730) 4.111 2.415 ( 0.193 0.000 -0.364) 0.412 2.473 ( -8.455 0.000 -2.671) 8.867 2.515 ( -0.928 0.000 -1.630) 1.876 2.533 ( -1.167 0.000 -3.409) 3.603 2.552 ( -1.272 0.000 1.987) 2.359 2.647 ( -0.328 0.000 2.179) 2.204 2.734 ( 3.290 0.000 1.929) 3.814 2.737 ( -6.567 0.000 -2.144) 6.908 2.755 ( 0.881 0.000 2.788) 2.924 2.919 ( 0.883 0.000 0.632) 1.086 2.919 ( -3.154 0.000 -2.216) 3.855 3.038 ( -1.596 0.000 -2.128) 2.660 3.060 ( -0.361 0.000 -1.565) 1.606 3.104 ( 1.585 0.000 2.908) 3.312 3.127 ( 2.409 0.000 -4.096) 4.752 3.199 ( -0.748 0.000 1.074) 1.308 3.265 ( -1.804 0.000 2.820) 3.348 3.277 ( -0.654 0.000 -3.862) 3.917 3.294 ( 2.763 0.000 1.832) 3.315 3.413 ( -0.742 0.000 0.675) 1.003 3.455 ( 0.127 0.000 0.147) 0.194 3.598 ( 0.077 0.000 0.245) 0.257 3.608 ( 0.599 0.000 -3.867) 3.913 3.638 ( 1.695 0.000 3.287) 3.698 3.689 ( 6.866 0.000 0.656) 6.897 3.716 ( -0.418 0.000 -4.835) 4.853 3.867 ( 1.709 0.000 -0.213) 1.722 3.912 ( -5.149 0.000 0.506) 5.174 4.010 ( 5.164 0.000 -3.912) 6.479 4.041 ( -0.203 0.000 0.512) 0.551 4.136 ( 1.672 0.000 -0.560) 1.763 4.189 ( 0.066 0.000 2.269) 2.270 4.287 ( -1.523 0.000 -0.993) 1.818 4.373 ( -2.679 0.000 4.083) 4.884 4.417 ( 1.863 0.000 -6.869) 7.117 4.534 ( 0.955 0.000 3.235) 3.373 4.707 ( -0.076 0.000 0.589) 0.593 4.784 ( 0.467 0.000 4.937) 4.959 4.814 ( -4.693 0.000 3.485) 5.845 4.965 ( 0.663 0.000 -1.764) 1.885 5.078 ( 0.146 0.000 0.078) 0.165 5.130 ( 1.542 0.000 -1.240) 1.978 5.444 ( 1.887 0.000 0.859) 2.073 5.448 ( -2.896 0.000 -2.958) 4.140 5.707 ( 3.699 0.000 1.965) 4.188 5.752 ( 0.830 0.000 -2.191) 2.343 5.948 ( -0.176 0.000 -0.250) 0.305 5.957 ( 0.199 0.000 0.327) 0.383 6.038 ( -0.666 0.000 0.256) 0.714 6.119 ( 0.331 0.000 -0.809) 0.874 6.361 ( -1.108 0.000 0.579) 1.250 6.859 ( -1.475 0.000 -3.853) 4.126 8.023 ( -1.577 0.000 -1.344) 2.072 8.228 ( 0.756 0.000 -2.308) 2.428 8.352 ( 2.253 0.000 2.410) 3.299 8.422 ( -2.981 0.000 0.723) 3.068 8.514 ( 0.709 0.000 4.236) 4.294 8.535 ( 0.184 0.000 -0.708) 0.731 8.617 ( -1.124 0.000 -2.530) 2.768 8.669 ( 2.195 0.000 2.461) 3.298 9.016 ( -0.776 0.000 -0.527) 0.938 9.028 ( 1.291 0.000 -0.115) 1.296 ======================= Grid point 38 (16/75) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 3.403 0.000 -0.440) 3.432 0.988 ( 0.150 0.000 -0.995) 1.006 1.078 ( 2.343 0.000 6.705) 7.102 1.088 ( -6.910 0.000 -0.728) 6.948 1.224 ( 9.303 0.000 5.451) 10.782 1.227 ( -0.910 0.000 -4.476) 4.568 1.354 ( -2.912 0.000 -2.009) 3.538 1.354 ( -6.874 0.000 2.356) 7.266 1.525 ( 1.346 0.000 0.925) 1.633 1.576 ( -1.544 0.000 9.193) 9.322 1.603 ( -2.464 0.000 -1.843) 3.077 1.740 ( -3.766 0.000 -6.123) 7.189 1.763 ( -1.767 0.000 -5.248) 5.538 1.847 ( 2.855 0.000 0.869) 2.984 1.914 ( 3.548 0.000 4.021) 5.362 1.972 ( 3.813 0.000 2.263) 4.434 2.022 ( -3.165 0.000 -0.889) 3.288 2.113 ( 1.187 0.000 -0.221) 1.207 2.198 ( -1.657 0.000 -1.255) 2.079 2.227 ( 1.461 0.000 2.035) 2.505 2.293 ( -2.462 0.000 1.497) 2.882 2.304 ( -3.311 0.000 -0.864) 3.422 2.357 ( -2.056 0.000 -1.850) 2.766 2.406 ( -0.496 0.000 -5.454) 5.477 2.477 ( 0.062 0.000 -0.900) 0.902 2.526 ( -0.569 0.000 1.386) 1.498 2.577 ( 2.234 0.000 5.915) 6.323 2.653 ( -1.366 0.000 1.411) 1.964 2.664 ( -0.487 0.000 2.242) 2.295 2.808 ( 1.628 0.000 2.249) 2.776 2.812 ( 0.311 0.000 6.442) 6.450 2.903 ( -0.368 0.000 -2.730) 2.755 2.907 ( 1.403 0.000 3.985) 4.224 2.995 ( -1.174 0.000 -1.350) 1.789 3.064 ( -0.263 0.000 -0.888) 0.926 3.116 ( 2.626 0.000 -3.066) 4.037 3.121 ( -0.938 0.000 -0.451) 1.040 3.194 ( -0.058 0.000 0.780) 0.782 3.240 ( -0.951 0.000 -0.951) 1.345 3.267 ( 0.249 0.000 -0.405) 0.476 3.381 ( 2.489 0.000 1.292) 2.805 3.412 ( 0.162 0.000 0.935) 0.949 3.475 ( 1.612 0.000 2.470) 2.950 3.542 ( -0.590 0.000 -4.731) 4.768 3.626 ( -2.903 0.000 -0.313) 2.920 3.645 ( 1.385 0.000 1.348) 1.933 3.695 ( 0.173 0.000 -2.781) 2.787 3.789 ( 2.975 0.000 0.731) 3.064 3.861 ( -1.242 0.000 4.129) 4.312 3.894 ( 1.135 0.000 0.476) 1.231 4.022 ( -1.307 0.000 -1.203) 1.777 4.044 ( 2.926 0.000 -3.910) 4.884 4.147 ( 1.058 0.000 -2.216) 2.456 4.183 ( -2.493 0.000 2.203) 3.326 4.273 ( 1.134 0.000 -0.808) 1.393 4.379 ( -1.849 0.000 4.816) 5.159 4.413 ( 4.958 0.000 -7.586) 9.063 4.559 ( -0.268 0.000 1.051) 1.085 4.718 ( -0.110 0.000 1.441) 1.445 4.762 ( -4.310 0.000 2.478) 4.972 4.817 ( -2.725 0.000 4.119) 4.939 4.963 ( 1.625 0.000 -1.413) 2.154 5.089 ( 0.315 0.000 1.466) 1.499 5.153 ( 1.498 0.000 0.189) 1.510 5.389 ( -0.253 0.000 -3.473) 3.482 5.457 ( -0.333 0.000 -0.784) 0.852 5.734 ( 0.656 0.000 -3.859) 3.915 5.737 ( -0.132 0.000 -2.451) 2.454 5.945 ( 0.076 0.000 -0.172) 0.188 5.955 ( -0.270 0.000 -0.498) 0.566 6.036 ( -0.098 0.000 0.559) 0.568 6.137 ( 1.190 0.000 1.361) 1.808 6.364 ( -0.542 0.000 2.841) 2.892 6.799 ( -1.172 0.000 -3.819) 3.994 8.011 ( 0.502 0.000 0.889) 1.021 8.219 ( 1.527 0.000 -3.184) 3.531 8.370 ( -1.826 0.000 -1.700) 2.494 8.389 ( -0.582 0.000 0.180) 0.609 8.529 ( -0.107 0.000 -1.484) 1.488 8.563 ( 0.445 0.000 3.585) 3.612 8.595 ( 0.512 0.000 0.339) 0.614 8.718 ( 0.018 0.000 3.592) 3.592 9.004 ( -0.121 0.000 -0.112) 0.165 9.040 ( 0.578 0.000 -0.862) 1.038 ======================= Grid point 39 (17/75) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -4.061 0.000 -3.327) 5.250 0.850 ( -11.780 0.000 0.179) 11.781 0.920 ( -6.540 0.000 1.558) 6.723 1.184 ( 2.733 0.000 -6.501) 7.052 1.213 ( -1.418 0.000 7.967) 8.092 1.297 ( -4.811 0.000 4.990) 6.932 1.338 ( 3.516 0.000 -4.239) 5.507 1.442 ( 9.172 0.000 4.372) 10.161 1.482 ( -11.084 0.000 -9.250) 14.436 1.540 ( -2.385 0.000 -1.039) 2.602 1.576 ( 0.905 0.000 1.823) 2.035 1.641 ( -2.668 0.000 8.832) 9.226 1.643 ( -2.426 0.000 -9.910) 10.203 1.925 ( 4.051 0.000 0.723) 4.115 1.950 ( -1.634 0.000 1.635) 2.311 1.959 ( -2.961 0.000 0.922) 3.101 2.007 ( -3.289 0.000 3.849) 5.062 2.141 ( 1.340 0.000 -0.511) 1.434 2.168 ( 1.104 0.000 -2.590) 2.815 2.262 ( 0.609 0.000 2.250) 2.331 2.281 ( -0.304 0.000 0.019) 0.305 2.298 ( -0.411 0.000 0.082) 0.419 2.333 ( 1.657 0.000 -6.008) 6.232 2.380 ( 7.498 0.000 2.535) 7.915 2.496 ( 0.230 0.000 2.339) 2.350 2.546 ( 1.488 0.000 2.421) 2.841 2.626 ( -2.187 0.000 -0.136) 2.191 2.657 ( 0.813 0.000 3.313) 3.411 2.778 ( 5.290 0.000 8.752) 10.227 2.825 ( -0.699 0.000 -0.527) 0.876 2.855 ( -1.281 0.000 4.522) 4.699 2.874 ( -0.031 0.000 -2.347) 2.347 2.966 ( -0.891 0.000 -1.246) 1.532 2.996 ( 2.005 0.000 2.854) 3.488 3.025 ( 0.211 0.000 -6.151) 6.154 3.110 ( -0.136 0.000 2.849) 2.853 3.151 ( 0.881 0.000 2.363) 2.522 3.205 ( 0.194 0.000 0.855) 0.877 3.220 ( 0.463 0.000 -2.246) 2.294 3.285 ( 2.954 0.000 -0.175) 2.960 3.358 ( -4.061 0.000 0.243) 4.069 3.436 ( 1.888 0.000 -0.683) 2.008 3.496 ( -1.517 0.000 -0.813) 1.721 3.520 ( -1.061 0.000 3.759) 3.905 3.591 ( -1.503 0.000 -1.124) 1.877 3.674 ( 1.768 0.000 -0.963) 2.013 3.714 ( 5.573 0.000 -0.896) 5.645 3.777 ( -4.746 0.000 -0.466) 4.769 3.914 ( 1.781 0.000 2.809) 3.326 3.918 ( 1.359 0.000 1.294) 1.877 3.977 ( -1.733 0.000 -2.947) 3.419 4.041 ( 1.008 0.000 -3.408) 3.554 4.147 ( 1.639 0.000 -1.774) 2.415 4.177 ( -0.701 0.000 2.324) 2.428 4.297 ( 0.992 0.000 1.125) 1.500 4.396 ( -1.781 0.000 5.267) 5.559 4.415 ( 2.727 0.000 -6.344) 6.906 4.567 ( 1.799 0.000 -0.948) 2.034 4.686 ( -4.249 0.000 1.271) 4.435 4.753 ( -0.656 0.000 3.128) 3.196 4.766 ( -4.225 0.000 -0.337) 4.238 5.001 ( 2.110 0.000 1.697) 2.708 5.113 ( -0.140 0.000 2.947) 2.950 5.181 ( 0.821 0.000 1.238) 1.486 5.371 ( 2.439 0.000 -5.004) 5.567 5.422 ( -1.613 0.000 -2.642) 3.096 5.663 ( -3.840 0.000 -4.865) 6.198 5.703 ( 0.426 0.000 -4.936) 4.955 5.940 ( -0.579 0.000 -1.082) 1.227 5.946 ( 0.342 0.000 -0.342) 0.483 6.046 ( -0.046 0.000 1.900) 1.901 6.177 ( 1.105 0.000 2.546) 2.775 6.389 ( -0.255 0.000 3.300) 3.310 6.743 ( -0.538 0.000 -5.252) 5.279 8.055 ( 2.297 0.000 2.925) 3.719 8.222 ( 2.341 0.000 -3.106) 3.889 8.335 ( -3.444 0.000 -2.666) 4.355 8.336 ( 0.536 0.000 -3.066) 3.112 8.501 ( -1.023 0.000 -2.210) 2.435 8.602 ( 1.030 0.000 2.374) 2.587 8.639 ( 0.761 0.000 5.812) 5.861 8.736 ( -1.794 0.000 3.457) 3.895 9.011 ( 0.776 0.000 0.110) 0.784 9.031 ( -0.508 0.000 -0.977) 1.101 ======================= Grid point 40 (18/75) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -14.933 0.000 -3.163) 15.264 0.618 ( -16.144 0.000 2.494) 16.336 0.929 ( -3.787 0.000 8.558) 9.358 0.974 ( -21.557 0.000 -11.547) 24.455 1.202 ( 0.667 0.000 -3.532) 3.594 1.237 ( -2.156 0.000 6.617) 6.960 1.256 ( -2.423 0.000 -0.218) 2.432 1.464 ( -2.253 0.000 -1.313) 2.608 1.480 ( 3.032 0.000 1.441) 3.357 1.550 ( 2.341 0.000 -7.792) 8.136 1.599 ( -1.523 0.000 3.703) 4.004 1.637 ( 6.255 0.000 2.570) 6.762 1.703 ( 4.350 0.000 2.479) 5.007 1.904 ( -2.968 0.000 -1.878) 3.512 1.922 ( -1.246 0.000 1.314) 1.811 1.992 ( 1.084 0.000 0.492) 1.190 2.010 ( -1.102 0.000 6.113) 6.212 2.147 ( 1.124 0.000 -1.715) 2.050 2.184 ( 2.484 0.000 -0.371) 2.512 2.266 ( -0.230 0.000 -0.920) 0.948 2.292 ( -0.575 0.000 0.293) 0.645 2.295 ( 2.555 0.000 0.758) 2.665 2.384 ( 3.839 0.000 1.816) 4.247 2.521 ( 0.480 0.000 -0.258) 0.545 2.568 ( 8.236 0.000 3.987) 9.150 2.595 ( -1.101 0.000 1.060) 1.528 2.623 ( 3.169 0.000 4.364) 5.394 2.648 ( -2.750 0.000 -3.608) 4.536 2.793 ( -1.387 0.000 -0.775) 1.589 2.857 ( 1.574 0.000 0.622) 1.693 2.858 ( -0.381 0.000 -0.764) 0.854 2.908 ( 3.099 0.000 -2.740) 4.137 2.938 ( 1.014 0.000 -3.244) 3.399 3.014 ( -1.199 0.000 2.530) 2.800 3.042 ( 3.443 0.000 7.149) 7.935 3.162 ( 0.927 0.000 3.582) 3.700 3.187 ( 1.330 0.000 1.262) 1.833 3.198 ( -0.592 0.000 -1.957) 2.045 3.216 ( -0.009 0.000 0.816) 0.816 3.298 ( -3.701 0.000 1.612) 4.036 3.354 ( 3.096 0.000 -0.008) 3.096 3.428 ( -0.407 0.000 -4.237) 4.256 3.500 ( 1.393 0.000 2.544) 2.901 3.532 ( -1.512 0.000 3.404) 3.725 3.554 ( -1.649 0.000 -0.149) 1.656 3.651 ( -7.604 0.000 -1.244) 7.705 3.688 ( 2.321 0.000 -4.058) 4.675 3.787 ( 3.270 0.000 -2.947) 4.402 3.907 ( -0.723 0.000 -4.637) 4.693 3.940 ( 0.157 0.000 -1.299) 1.308 3.973 ( 1.136 0.000 3.857) 4.020 4.036 ( 1.384 0.000 -1.116) 1.778 4.161 ( 1.597 0.000 -2.782) 3.208 4.178 ( -1.995 0.000 2.123) 2.914 4.328 ( 0.437 0.000 4.321) 4.343 4.392 ( 1.208 0.000 -5.294) 5.430 4.419 ( -2.011 0.000 6.445) 6.752 4.603 ( 3.144 0.000 -0.895) 3.269 4.632 ( -3.548 0.000 1.950) 4.049 4.702 ( -1.470 0.000 -1.582) 2.159 4.773 ( -0.711 0.000 3.826) 3.892 5.054 ( 1.901 0.000 1.754) 2.586 5.138 ( -0.896 0.000 4.383) 4.473 5.198 ( -0.147 0.000 0.808) 0.821 5.356 ( -2.698 0.000 -3.623) 4.517 5.356 ( 2.834 0.000 -9.262) 9.686 5.542 ( -4.082 0.000 -3.903) 5.648 5.651 ( -1.003 0.000 -4.653) 4.760 5.919 ( -0.520 0.000 -0.966) 1.097 5.949 ( 0.440 0.000 -0.570) 0.721 6.073 ( -0.164 0.000 4.633) 4.636 6.215 ( 0.588 0.000 1.835) 1.927 6.409 ( -0.498 0.000 2.205) 2.260 6.668 ( -1.593 0.000 -7.711) 7.874 8.139 ( 3.384 0.000 4.077) 5.299 8.240 ( 2.578 0.000 -2.279) 3.441 8.245 ( -3.206 0.000 -3.183) 4.518 8.322 ( 0.943 0.000 -3.561) 3.683 8.463 ( -0.122 0.000 -2.533) 2.536 8.645 ( 1.920 0.000 0.902) 2.121 8.725 ( -2.893 0.000 2.926) 4.115 8.734 ( 1.175 0.000 11.865) 11.923 9.006 ( -1.389 0.000 -0.580) 1.506 9.027 ( 1.027 0.000 -0.161) 1.040 ======================= Grid point 41 (19/75) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -14.010 0.000 7.523) 15.902 0.337 ( -17.316 0.000 2.839) 17.548 0.568 ( -21.064 0.000 16.234) 26.594 0.890 ( -9.864 0.000 8.223) 12.842 1.201 ( 1.924 0.000 -1.847) 2.667 1.239 ( 2.642 0.000 -3.624) 4.485 1.272 ( -0.981 0.000 4.861) 4.959 1.446 ( 0.320 0.000 1.541) 1.574 1.453 ( -4.307 0.000 -0.318) 4.319 1.561 ( 4.921 0.000 -3.958) 6.316 1.636 ( 0.214 0.000 1.668) 1.681 1.709 ( 2.259 0.000 -2.221) 3.168 1.811 ( 5.665 0.000 0.793) 5.721 1.835 ( -3.421 0.000 -0.523) 3.460 1.927 ( 0.660 0.000 -1.056) 1.245 1.987 ( -1.749 0.000 2.184) 2.798 2.025 ( -1.054 0.000 -1.789) 2.077 2.162 ( 1.888 0.000 -1.236) 2.256 2.242 ( -0.979 0.000 -2.582) 2.761 2.265 ( -0.301 0.000 -0.699) 0.761 2.284 ( 3.614 0.000 6.262) 7.230 2.349 ( 0.742 0.000 -1.809) 1.955 2.434 ( 1.156 0.000 0.093) 1.160 2.506 ( -1.254 0.000 0.242) 1.277 2.538 ( -2.388 0.000 -5.188) 5.711 2.598 ( -1.031 0.000 2.148) 2.382 2.684 ( 1.252 0.000 3.067) 3.313 2.709 ( 1.438 0.000 1.887) 2.373 2.757 ( -1.317 0.000 -2.492) 2.818 2.879 ( 3.690 0.000 -2.397) 4.400 2.898 ( 3.895 0.000 -0.800) 3.976 2.927 ( 2.286 0.000 -4.982) 5.481 2.962 ( 2.518 0.000 1.799) 3.095 3.049 ( 0.077 0.000 4.771) 4.772 3.140 ( 0.795 0.000 0.062) 0.797 3.158 ( -1.759 0.000 -2.349) 2.935 3.197 ( 1.600 0.000 2.154) 2.683 3.220 ( -1.103 0.000 -0.684) 1.298 3.221 ( 2.183 0.000 -1.210) 2.496 3.262 ( -2.270 0.000 1.172) 2.555 3.339 ( -3.452 0.000 -0.952) 3.581 3.365 ( -3.176 0.000 -0.424) 3.204 3.512 ( -5.731 0.000 -1.427) 5.906 3.523 ( -0.818 0.000 -0.716) 1.087 3.531 ( -3.371 0.000 3.915) 5.166 3.584 ( 5.058 0.000 1.066) 5.169 3.677 ( 2.125 0.000 -5.259) 5.672 3.749 ( -3.156 0.000 -4.136) 5.202 3.880 ( 1.829 0.000 -3.479) 3.930 3.917 ( -0.247 0.000 -2.615) 2.626 4.017 ( -0.661 0.000 2.542) 2.627 4.049 ( 0.682 0.000 -1.021) 1.228 4.141 ( 0.249 0.000 -3.051) 3.061 4.153 ( -2.262 0.000 0.806) 2.401 4.363 ( 0.983 0.000 -3.223) 3.369 4.408 ( 0.773 0.000 5.103) 5.162 4.476 ( 3.180 0.000 7.183) 7.856 4.598 ( -1.682 0.000 0.063) 1.683 4.652 ( 1.755 0.000 1.571) 2.355 4.682 ( 0.659 0.000 -2.112) 2.213 4.810 ( -0.492 0.000 6.340) 6.359 5.044 ( -4.866 0.000 -11.440) 12.432 5.121 ( -3.395 0.000 -1.905) 3.893 5.192 ( -0.223 0.000 -0.936) 0.962 5.264 ( -3.206 0.000 -2.880) 4.309 5.350 ( 6.471 0.000 8.308) 10.531 5.484 ( -0.118 0.000 -0.704) 0.714 5.605 ( -0.573 0.000 -0.789) 0.976 5.909 ( 0.058 0.000 0.032) 0.066 5.953 ( 0.500 0.000 -0.243) 0.556 6.159 ( 4.125 0.000 7.973) 8.976 6.224 ( -0.387 0.000 -0.585) 0.702 6.414 ( -0.762 0.000 1.115) 1.350 6.535 ( -4.764 0.000 -3.996) 6.218 8.179 ( -0.883 0.000 -2.452) 2.606 8.239 ( 3.270 0.000 3.110) 4.513 8.269 ( 2.245 0.000 -0.242) 2.258 8.279 ( -1.904 0.000 -2.474) 3.122 8.471 ( 3.655 0.000 -2.194) 4.263 8.678 ( 1.744 0.000 -0.816) 1.925 8.692 ( -3.907 0.000 2.343) 4.556 8.911 ( 4.731 0.000 7.497) 8.864 8.980 ( -1.050 0.000 0.078) 1.053 9.041 ( 0.908 0.000 -0.168) 0.923 ======================= Grid point 42 (20/75) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -4.267 6.147 13.322) 15.279 0.460 ( 2.400 8.854 8.245) 12.334 0.769 ( -8.491 -0.937 7.824) 11.584 0.944 ( 6.081 17.973 20.716) 28.092 1.053 ( 0.094 -10.727 -0.059) 10.727 1.248 ( 3.283 -2.483 -0.706) 4.176 1.278 ( 0.294 0.802 0.187) 0.874 1.390 ( -2.766 -0.437 3.497) 4.480 1.432 ( -1.595 -5.948 -0.484) 6.177 1.531 ( 2.243 -1.381 -0.115) 2.636 1.646 ( 0.619 -4.180 -0.562) 4.262 1.701 ( 1.435 -0.388 -1.281) 1.963 1.728 ( 1.726 -2.833 -2.449) 4.124 1.782 ( -1.736 -5.167 0.848) 5.516 1.899 ( -2.946 1.296 -1.525) 3.561 2.029 ( -1.077 3.914 -4.056) 5.738 2.035 ( -2.262 -0.716 1.479) 2.795 2.139 ( 3.084 0.061 -1.661) 3.503 2.197 ( -0.432 2.114 -2.803) 3.538 2.239 ( 1.217 -3.205 -1.168) 3.621 2.268 ( -3.405 1.090 1.010) 3.715 2.342 ( -1.268 -0.395 0.431) 1.396 2.434 ( -0.891 -2.888 2.870) 4.168 2.476 ( 3.584 -1.187 3.146) 4.915 2.559 ( 1.854 -0.043 -0.885) 2.055 2.666 ( -0.084 2.417 5.031) 5.582 2.684 ( -1.116 -2.570 -1.969) 3.424 2.713 ( 0.986 2.424 -2.684) 3.748 2.781 ( -1.074 3.909 -2.499) 4.762 2.854 ( -5.303 4.604 -3.213) 7.723 2.911 ( -3.743 0.131 -0.739) 3.817 2.972 ( 2.187 0.559 -2.780) 3.581 3.019 ( 2.696 -0.540 -1.234) 3.014 3.053 ( -0.816 -2.014 -2.557) 3.355 3.075 ( -0.712 -0.932 -3.538) 3.728 3.174 ( -1.330 -1.971 -1.223) 2.674 3.192 ( -1.865 3.569 -0.670) 4.083 3.229 ( -1.077 4.213 -0.572) 4.386 3.279 ( 0.037 2.719 -0.262) 2.732 3.296 ( -1.172 3.144 -0.459) 3.386 3.303 ( 0.723 -0.203 1.715) 1.872 3.352 ( 1.679 -2.080 0.843) 2.803 3.473 ( 1.003 -0.539 -3.050) 3.256 3.492 ( -1.020 2.532 -4.796) 5.518 3.547 ( -0.029 0.699 1.021) 1.238 3.638 ( -1.043 0.050 -1.676) 1.975 3.718 ( 2.380 2.120 -1.965) 3.744 3.810 ( 4.945 4.045 -2.531) 6.872 3.844 ( 0.537 -1.661 -3.218) 3.661 3.889 ( 0.425 1.328 -4.262) 4.484 4.007 ( -2.288 0.963 -1.608) 2.957 4.052 ( 0.075 -0.570 0.947) 1.107 4.100 ( -1.977 -0.067 -0.899) 2.173 4.141 ( -1.367 -0.018 -0.634) 1.507 4.340 ( 1.213 -2.428 2.529) 3.709 4.367 ( -4.512 -3.254 5.364) 7.728 4.475 ( -1.244 2.706 2.098) 3.643 4.553 ( -2.276 -0.809 -0.802) 2.545 4.709 ( 1.808 0.948 0.224) 2.053 4.738 ( 1.241 1.878 1.882) 2.934 4.852 ( -4.469 -0.007 2.237) 4.998 4.894 ( 0.062 -0.807 0.074) 0.812 5.114 ( -0.667 2.126 1.161) 2.512 5.185 ( 0.082 1.527 -1.622) 2.229 5.254 ( 4.406 -0.602 1.196) 4.605 5.400 ( 5.962 -10.330 9.694) 15.369 5.529 ( 2.112 0.116 2.712) 3.439 5.587 ( 1.145 -1.861 1.349) 2.568 5.966 ( 0.346 1.406 -0.549) 1.549 5.984 ( 0.368 2.092 -1.133) 2.407 6.123 ( -3.609 -1.088 -0.166) 3.773 6.176 ( -1.174 -1.489 -2.542) 3.172 6.428 ( -0.890 1.801 -0.087) 2.011 6.583 ( 7.450 -7.522 3.784) 11.243 8.174 ( 1.636 0.820 -2.028) 2.732 8.212 ( -0.422 -0.181 -3.180) 3.213 8.340 ( 1.997 2.775 1.584) 3.768 8.437 ( 3.557 4.208 -0.102) 5.510 8.500 ( 3.527 -2.255 -0.262) 4.194 8.601 ( -2.256 -2.634 0.533) 3.509 8.708 ( -1.837 1.547 -1.267) 2.715 8.732 ( -13.211 1.708 -2.675) 13.587 8.987 ( 0.216 0.782 0.480) 0.943 9.033 ( 0.114 -0.964 -0.430) 1.062 ======================= Grid point 43 (21/75) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 3.107 -0.089 10.930) 11.364 0.642 ( 5.692 -1.934 6.022) 8.509 0.786 ( 2.615 3.980 10.964) 11.953 1.073 ( 1.952 -6.799 0.207) 7.076 1.222 ( 0.647 0.087 0.545) 0.850 1.256 ( 2.450 0.084 4.724) 5.322 1.335 ( 0.899 -1.537 1.863) 2.577 1.394 ( 0.854 3.329 12.244) 12.717 1.402 ( -1.715 -6.538 -1.078) 6.845 1.564 ( 0.635 -3.728 0.610) 3.830 1.608 ( -2.940 -1.655 -1.327) 3.625 1.695 ( -0.123 -3.032 -0.582) 3.089 1.753 ( 0.732 2.332 -0.076) 2.445 1.794 ( 4.300 -0.647 1.871) 4.734 1.845 ( -0.521 3.887 -1.841) 4.333 1.925 ( -2.129 2.385 -3.791) 4.959 2.059 ( 0.090 0.763 2.727) 2.833 2.151 ( 0.326 2.285 -4.244) 4.831 2.159 ( -1.980 1.098 -2.138) 3.114 2.215 ( -1.645 -0.373 0.849) 1.888 2.313 ( 3.503 -5.277 4.635) 7.849 2.361 ( 2.834 -0.237 0.167) 2.848 2.431 ( -3.771 -1.753 2.559) 4.883 2.527 ( -0.805 -0.185 1.154) 1.419 2.566 ( -0.964 -1.618 -0.475) 1.943 2.612 ( -2.058 0.081 -5.032) 5.437 2.656 ( -3.919 1.538 -1.029) 4.334 2.677 ( -2.954 1.462 -1.211) 3.511 2.741 ( 0.689 3.767 -5.162) 6.427 2.753 ( -4.927 2.694 1.334) 5.772 2.822 ( -1.545 0.680 1.656) 2.364 2.972 ( -1.825 -2.498 -2.185) 3.788 2.990 ( -1.707 0.457 -4.780) 5.096 3.015 ( 1.070 0.640 -1.117) 1.674 3.072 ( 0.035 1.023 1.090) 1.495 3.136 ( -1.114 0.529 -3.948) 4.136 3.141 ( -2.033 3.424 1.272) 4.180 3.234 ( 1.087 4.545 0.591) 4.710 3.276 ( -0.903 0.760 1.805) 2.157 3.291 ( -0.928 1.839 1.210) 2.389 3.336 ( 2.300 0.200 -2.360) 3.301 3.380 ( -0.789 -4.021 0.638) 4.147 3.455 ( 2.230 -3.029 -1.232) 3.958 3.467 ( 1.199 -0.188 -4.057) 4.234 3.573 ( 0.964 -0.545 3.320) 3.500 3.593 ( -0.908 -0.725 0.169) 1.174 3.727 ( 0.909 2.329 -7.966) 8.349 3.788 ( 0.899 0.467 -4.726) 4.833 3.849 ( 0.558 2.178 0.679) 2.349 3.932 ( 5.559 1.381 -2.172) 6.126 3.968 ( -1.050 -0.959 -0.582) 1.537 4.068 ( 0.268 0.606 0.432) 0.791 4.096 ( 2.681 -0.947 -0.346) 2.864 4.129 ( 0.051 -1.240 0.733) 1.441 4.343 ( -2.417 1.074 3.085) 4.064 4.383 ( -1.663 -0.874 2.612) 3.218 4.481 ( 0.417 1.807 1.362) 2.301 4.500 ( -1.257 0.222 -0.784) 1.498 4.722 ( -2.480 1.229 1.696) 3.246 4.750 ( 1.436 2.239 0.928) 2.817 4.822 ( -4.164 -2.585 4.046) 6.355 4.901 ( 1.188 -3.791 -1.545) 4.262 5.112 ( -0.404 3.005 0.625) 3.096 5.181 ( 0.841 2.740 -1.226) 3.118 5.367 ( 5.032 -0.227 1.718) 5.322 5.483 ( -0.710 -4.458 -0.420) 4.533 5.598 ( 3.709 0.197 3.857) 5.354 5.669 ( 3.488 -3.973 3.024) 6.091 5.967 ( 0.101 1.228 -0.245) 1.257 5.982 ( 0.362 2.012 -0.444) 2.092 6.060 ( -2.588 0.187 -0.268) 2.608 6.128 ( -1.043 -1.370 -2.591) 3.111 6.412 ( -0.805 2.692 -0.416) 2.841 6.707 ( 3.613 -12.328 -0.058) 12.847 8.158 ( 0.296 3.252 -4.626) 5.662 8.226 ( 3.767 0.105 -0.933) 3.882 8.365 ( -2.691 4.097 2.129) 5.344 8.479 ( 0.939 2.086 1.102) 2.539 8.519 ( -6.140 4.105 1.382) 7.514 8.555 ( -2.746 -0.510 0.285) 2.808 8.566 ( 2.452 -2.502 1.036) 3.653 8.656 ( -1.744 -0.608 -2.526) 3.130 9.004 ( 1.021 0.262 0.419) 1.135 9.027 ( -0.257 -0.603 -0.535) 0.846 ======================= Grid point 44 (22/75) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 4.966 -2.443 3.441) 6.517 0.771 ( 5.165 -2.988 5.955) 8.430 0.999 ( 6.437 1.766 9.400) 11.529 1.116 ( 1.646 1.139 -0.328) 2.028 1.192 ( 0.376 -0.092 0.313) 0.498 1.280 ( -4.273 -7.867 -0.345) 8.959 1.300 ( -2.753 -2.211 -0.003) 3.531 1.358 ( -0.043 -4.909 -1.434) 5.114 1.449 ( -2.264 -3.587 0.704) 4.300 1.571 ( -0.025 -0.941 -0.730) 1.191 1.627 ( 0.347 -0.855 6.215) 6.283 1.696 ( -0.100 -4.208 -0.047) 4.210 1.812 ( -0.948 3.565 1.441) 3.960 1.833 ( 3.671 3.222 2.082) 5.310 1.880 ( 1.524 1.633 -3.265) 3.956 1.908 ( 3.354 2.320 0.801) 4.156 2.083 ( -0.937 1.638 1.460) 2.386 2.112 ( 0.213 -0.451 1.535) 1.614 2.156 ( 1.254 0.872 0.025) 1.527 2.185 ( -2.613 -0.102 1.666) 3.101 2.332 ( -5.684 0.542 0.190) 5.713 2.372 ( -2.108 -3.093 -3.311) 4.997 2.405 ( -0.382 -1.944 2.006) 2.820 2.499 ( -1.604 -0.814 0.322) 1.827 2.526 ( -0.757 3.589 0.577) 3.714 2.556 ( -0.532 0.897 0.302) 1.086 2.587 ( -1.809 1.086 -4.217) 4.716 2.634 ( -1.866 -1.074 3.440) 4.059 2.693 ( -0.529 3.110 -2.240) 3.869 2.758 ( 1.442 1.314 1.743) 2.616 2.834 ( -1.327 2.921 2.111) 3.841 2.896 ( -1.852 -0.324 -4.524) 4.899 2.950 ( -0.428 0.014 2.050) 2.094 3.010 ( -0.791 1.198 -0.682) 1.590 3.055 ( 0.055 -1.669 -3.822) 4.171 3.107 ( 0.125 1.137 1.055) 1.557 3.142 ( -0.908 0.983 1.897) 2.321 3.236 ( -0.620 2.572 -4.219) 4.980 3.274 ( -1.015 -0.230 0.757) 1.287 3.288 ( 0.390 1.025 0.017) 1.097 3.339 ( 2.224 2.960 -0.196) 3.708 3.364 ( -0.111 -4.295 -0.258) 4.304 3.439 ( -1.075 -1.211 -1.390) 2.134 3.517 ( 2.895 -7.618 1.264) 8.247 3.611 ( 1.560 0.734 1.797) 2.490 3.657 ( -0.452 3.691 -4.742) 6.026 3.662 ( 4.103 -0.741 2.689) 4.962 3.745 ( -0.428 0.295 -4.747) 4.776 3.868 ( -0.361 0.469 1.215) 1.351 3.928 ( -0.784 0.017 -1.360) 1.570 3.993 ( 1.598 0.183 -0.823) 1.806 4.077 ( 2.075 0.534 -2.594) 3.365 4.147 ( 2.567 0.802 -0.885) 2.831 4.159 ( 1.807 -1.072 1.970) 2.880 4.304 ( -2.615 1.200 -0.965) 3.035 4.354 ( -2.228 -0.998 -0.510) 2.494 4.482 ( 1.220 4.374 0.370) 4.556 4.547 ( 1.240 1.028 3.706) 4.040 4.694 ( -1.863 -0.778 0.944) 2.229 4.768 ( -2.668 -2.635 1.860) 4.186 4.802 ( -0.818 0.291 4.163) 4.252 4.898 ( 0.118 -4.144 -1.255) 4.332 5.113 ( -0.148 3.099 0.488) 3.141 5.186 ( 0.768 2.661 -0.715) 2.860 5.431 ( 0.673 -0.747 -0.657) 1.201 5.445 ( -0.024 -0.487 -1.575) 1.648 5.698 ( 3.449 -0.694 1.563) 3.850 5.721 ( 1.421 -2.125 -0.725) 2.657 5.964 ( -0.162 1.307 -0.181) 1.330 5.986 ( 0.383 2.160 -0.205) 2.203 6.030 ( -0.882 -0.509 -0.047) 1.019 6.103 ( 0.178 -1.525 -0.933) 1.796 6.397 ( -0.759 3.517 0.552) 3.640 6.724 ( -0.046 -10.222 -1.393) 10.316 8.120 ( -0.214 6.905 -2.667) 7.405 8.269 ( 1.420 3.158 -2.336) 4.177 8.338 ( 0.192 -0.692 1.996) 2.122 8.443 ( -3.472 0.668 -1.451) 3.822 8.517 ( 0.139 0.254 2.085) 2.105 8.540 ( 0.272 0.874 1.380) 1.656 8.591 ( -1.229 -2.203 -1.436) 2.902 8.642 ( 1.417 -2.287 2.727) 3.831 9.016 ( -0.406 0.006 -0.465) 0.617 9.024 ( 1.056 -0.299 -0.164) 1.109 ======================= Grid point 45 (23/75) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 2.784 -2.017 0.577) 3.486 0.886 ( 1.181 -6.528 1.887) 6.897 1.056 ( -5.056 0.283 -2.373) 5.592 1.149 ( 1.330 -2.606 1.901) 3.489 1.176 ( -0.781 -0.860 1.707) 2.065 1.232 ( -1.264 -1.271 -1.670) 2.450 1.313 ( 0.729 2.506 5.985) 6.529 1.352 ( 2.119 -0.687 0.275) 2.245 1.464 ( 0.277 -6.087 2.735) 6.679 1.563 ( 0.003 -0.343 -1.127) 1.178 1.629 ( -1.571 0.210 -0.765) 1.760 1.668 ( -4.918 -2.868 -0.586) 5.723 1.809 ( 1.501 -1.238 1.141) 2.256 1.862 ( -0.250 1.275 -4.749) 4.923 1.916 ( 0.196 -0.034 0.371) 0.421 1.936 ( 1.614 0.793 1.941) 2.646 2.063 ( 0.166 1.811 -0.667) 1.937 2.131 ( -0.304 1.585 -0.413) 1.666 2.137 ( -0.572 -3.865 -1.206) 4.089 2.184 ( -2.699 -1.884 1.769) 3.736 2.248 ( -3.655 0.509 2.113) 4.252 2.310 ( -0.723 0.654 -0.666) 1.181 2.398 ( -1.341 -1.320 -0.139) 1.886 2.453 ( -0.944 -0.480 -2.769) 2.965 2.540 ( -1.242 2.036 -0.043) 2.386 2.560 ( 1.233 4.805 0.482) 4.984 2.581 ( 1.074 1.037 3.965) 4.237 2.656 ( -0.310 0.585 3.844) 3.900 2.682 ( 1.017 2.629 0.320) 2.837 2.825 ( 0.955 1.450 3.358) 3.780 2.836 ( 0.234 0.737 4.537) 4.602 2.873 ( 1.391 0.949 -0.181) 1.693 2.929 ( -2.103 0.070 -1.328) 2.489 3.006 ( 0.353 2.628 -0.309) 2.670 3.060 ( 0.809 -1.050 1.928) 2.339 3.118 ( 1.989 -0.580 -0.898) 2.258 3.144 ( -0.971 1.491 0.494) 1.847 3.181 ( -0.261 1.141 -3.295) 3.497 3.259 ( -0.695 -1.782 -0.003) 1.913 3.292 ( 0.784 2.533 -1.783) 3.195 3.366 ( 0.473 -2.891 0.053) 2.930 3.402 ( -0.536 -0.901 -0.966) 1.426 3.419 ( 2.879 -2.210 2.945) 4.674 3.556 ( -0.232 -5.740 1.857) 6.037 3.588 ( -0.706 2.886 -3.798) 4.823 3.664 ( 0.314 0.964 0.089) 1.017 3.707 ( 0.610 0.129 -1.902) 2.001 3.735 ( 0.950 0.181 1.826) 2.067 3.877 ( 0.966 0.095 2.574) 2.751 3.924 ( 1.258 1.545 -1.112) 2.282 3.989 ( -1.164 -1.276 -0.040) 1.728 4.076 ( 1.104 -0.183 -3.774) 3.936 4.170 ( 1.744 1.692 -2.636) 3.585 4.196 ( 0.167 1.585 2.793) 3.216 4.266 ( 0.052 -0.143 -1.925) 1.931 4.329 ( 0.626 -1.987 -0.961) 2.294 4.506 ( 0.404 5.465 0.241) 5.485 4.577 ( -0.178 1.771 1.229) 2.163 4.680 ( -1.649 -2.875 1.525) 3.649 4.730 ( -3.051 -2.908 2.136) 4.725 4.827 ( -1.810 0.638 3.101) 3.647 4.904 ( 1.883 -3.719 0.966) 4.279 5.112 ( -0.371 2.465 0.240) 2.505 5.191 ( 0.271 1.310 -0.314) 1.374 5.403 ( 0.486 1.290 -2.981) 3.285 5.452 ( 0.125 -0.515 -1.072) 1.196 5.712 ( 0.297 -1.397 -3.472) 3.755 5.724 ( -0.139 -1.109 -2.700) 2.922 5.960 ( 0.005 1.352 -0.142) 1.359 5.989 ( 0.260 2.716 -0.409) 2.759 6.024 ( -0.170 -1.019 0.467) 1.134 6.115 ( 1.075 -1.972 0.997) 2.457 6.401 ( -0.434 3.630 2.385) 4.364 6.698 ( -0.781 -8.110 -1.984) 8.385 8.110 ( 0.675 7.963 -0.030) 7.992 8.256 ( 1.021 3.236 -3.054) 4.565 8.363 ( -0.866 -1.119 -1.653) 2.176 8.384 ( -0.291 -0.843 -0.713) 1.142 8.512 ( -0.773 -1.130 -1.541) 2.062 8.541 ( 0.535 -2.795 -1.995) 3.475 8.597 ( -0.213 1.262 5.437) 5.586 8.692 ( 0.036 -2.202 4.391) 4.913 9.008 ( 0.001 0.398 -0.218) 0.454 9.033 ( 0.478 -0.536 -0.749) 1.038 ======================= Grid point 46 (24/75) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.756 -1.640 3.435) 4.699 0.846 ( -4.413 -0.501 -0.692) 4.494 0.891 ( -7.883 0.630 -2.255) 8.224 1.149 ( -0.595 -2.953 -4.470) 5.390 1.188 ( -0.788 -5.333 0.013) 5.391 1.215 ( -1.014 -5.028 2.846) 5.866 1.354 ( -2.273 3.975 5.916) 7.481 1.427 ( -1.133 -1.892 0.182) 2.213 1.457 ( -2.554 0.974 -5.963) 6.560 1.502 ( 0.114 -3.718 0.021) 3.720 1.560 ( -1.733 -2.618 0.456) 3.172 1.657 ( 1.982 3.812 3.428) 5.497 1.759 ( -3.072 5.423 -7.734) 9.933 1.823 ( -3.159 -7.508 0.783) 8.183 1.919 ( 1.050 -2.681 0.537) 2.929 1.955 ( 0.856 1.832 -0.526) 2.090 2.066 ( -3.652 1.712 3.763) 5.517 2.096 ( 0.528 -2.737 -0.687) 2.871 2.149 ( 1.012 0.024 0.134) 1.022 2.217 ( 3.739 -2.631 1.666) 4.865 2.251 ( 0.399 1.322 3.330) 3.605 2.305 ( -0.475 -0.477 -1.463) 1.611 2.372 ( 3.682 -0.228 -1.424) 3.954 2.444 ( 0.046 3.687 -0.088) 3.688 2.538 ( 0.449 -0.901 0.168) 1.021 2.566 ( 0.250 3.668 1.814) 4.100 2.636 ( -1.702 0.795 0.678) 1.997 2.695 ( 1.628 2.555 5.007) 5.852 2.739 ( 3.174 0.038 2.382) 3.969 2.825 ( -1.763 -1.602 3.511) 4.243 2.858 ( -1.084 0.408 -0.333) 1.205 2.904 ( 2.539 0.688 -2.532) 3.652 2.949 ( 1.174 0.660 4.613) 4.806 3.002 ( -0.321 4.266 -1.044) 4.403 3.093 ( 0.596 3.396 -1.586) 3.795 3.099 ( -0.618 -0.908 2.581) 2.804 3.163 ( 1.580 -1.476 -0.018) 2.163 3.191 ( 1.612 1.646 1.995) 3.048 3.260 ( 1.502 -2.575 -1.106) 3.180 3.285 ( 0.330 3.376 -1.244) 3.612 3.342 ( -2.691 -1.492 -0.277) 3.090 3.404 ( 2.448 -2.462 -2.712) 4.406 3.472 ( -1.217 -3.001 3.721) 4.933 3.555 ( -0.397 2.630 -0.799) 2.778 3.561 ( -1.597 -3.144 2.622) 4.395 3.656 ( -0.221 -2.833 -1.067) 3.035 3.712 ( 1.559 3.004 -0.837) 3.487 3.772 ( 2.776 2.190 0.094) 3.538 3.916 ( -0.485 -0.185 1.581) 1.664 3.932 ( 0.755 -1.929 -3.137) 3.759 3.976 ( 0.531 1.413 1.704) 2.276 4.052 ( 0.427 -0.073 -3.186) 3.215 4.170 ( 1.071 2.030 -1.751) 2.887 4.222 ( 0.021 3.656 1.536) 3.966 4.266 ( 1.404 -2.423 -1.085) 3.003 4.341 ( 0.361 -1.943 0.821) 2.140 4.494 ( -1.365 3.726 0.117) 3.970 4.592 ( 1.823 2.297 -0.566) 2.986 4.642 ( -3.461 -3.480 0.785) 4.970 4.710 ( -2.566 -2.275 2.168) 4.057 4.814 ( -1.302 2.712 1.845) 3.529 4.969 ( 2.046 -3.236 3.890) 5.458 5.109 ( -0.447 1.076 0.892) 1.468 5.188 ( -0.063 -0.498 -0.773) 0.922 5.391 ( 1.252 1.649 -3.764) 4.296 5.425 ( -1.088 0.132 -2.612) 2.832 5.650 ( -3.603 -1.009 -5.092) 6.319 5.666 ( -0.958 -2.395 -4.871) 5.512 5.961 ( 0.202 1.455 -0.233) 1.488 5.990 ( 0.564 3.594 -0.723) 3.709 6.033 ( -0.006 -1.019 1.782) 2.052 6.152 ( 1.232 -2.330 2.175) 3.417 6.421 ( -0.332 3.045 2.741) 4.110 6.660 ( -1.031 -6.591 -2.941) 7.291 8.144 ( 2.374 6.711 1.436) 7.262 8.253 ( 1.661 2.792 -2.565) 4.140 8.317 ( -0.719 -0.778 -3.535) 3.691 8.363 ( -0.964 1.719 -2.001) 2.808 8.472 ( -1.249 -2.191 -2.558) 3.593 8.557 ( 2.441 -4.756 -0.820) 5.408 8.654 ( -0.407 1.631 7.644) 7.826 8.723 ( -1.158 -1.167 4.260) 4.566 9.012 ( 0.533 0.148 -0.082) 0.559 9.026 ( -0.376 -0.401 -0.858) 1.019 ======================= Grid point 47 (25/75) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -13.130 6.012 -0.613) 14.454 0.713 ( -11.864 6.978 1.148) 13.812 0.882 ( -3.727 -2.769 6.874) 8.295 1.035 ( -8.954 1.548 -6.559) 11.207 1.159 ( 1.418 -4.658 -3.009) 5.724 1.185 ( -5.768 -8.085 1.363) 10.025 1.234 ( -3.663 0.848 -0.761) 3.837 1.373 ( -1.574 2.075 3.854) 4.652 1.497 ( 1.875 -2.716 -0.328) 3.317 1.530 ( -1.536 -3.561 0.098) 3.879 1.582 ( 3.661 -1.433 2.201) 4.506 1.652 ( -0.197 3.181 -5.621) 6.461 1.733 ( 3.485 2.087 -0.592) 4.104 1.770 ( -3.321 -9.415 2.162) 10.215 1.945 ( -0.508 0.093 5.263) 5.288 1.971 ( 1.586 1.009 -2.133) 2.844 2.067 ( -0.357 1.890 3.250) 3.776 2.118 ( 1.231 -1.537 0.209) 1.980 2.144 ( 0.829 -1.511 -1.218) 2.111 2.266 ( 2.366 1.083 -2.192) 3.403 2.287 ( -0.579 -2.616 2.233) 3.488 2.319 ( 1.047 1.161 3.016) 3.397 2.448 ( 4.003 5.984 0.027) 7.200 2.476 ( 0.052 -5.096 2.887) 5.858 2.524 ( 0.499 -2.329 -3.713) 4.411 2.600 ( 0.501 -0.605 1.292) 1.512 2.644 ( 2.495 2.014 1.862) 3.708 2.669 ( -1.364 1.489 -3.081) 3.684 2.812 ( 0.628 -1.686 0.965) 2.042 2.846 ( -0.674 0.320 3.349) 3.431 2.885 ( 1.863 0.231 2.617) 3.220 2.916 ( 4.088 4.492 -3.921) 7.229 2.969 ( 0.137 2.670 -0.214) 2.682 3.022 ( 2.290 3.134 2.517) 4.626 3.104 ( 2.569 3.251 0.221) 4.149 3.144 ( -0.136 -0.198 4.825) 4.831 3.184 ( 0.553 -1.064 0.618) 1.349 3.226 ( -0.086 1.677 1.092) 2.003 3.257 ( -2.271 -0.632 -1.132) 2.615 3.294 ( 3.743 2.153 -2.016) 4.765 3.320 ( 0.044 -2.381 1.555) 2.844 3.417 ( 2.648 -2.619 -3.539) 5.138 3.457 ( -3.537 -4.007 2.082) 5.736 3.531 ( -2.579 -3.104 1.025) 4.164 3.576 ( 0.434 3.505 2.791) 4.502 3.631 ( -1.568 1.093 -0.801) 2.072 3.734 ( 2.924 4.263 -3.132) 6.044 3.815 ( 2.173 1.668 -2.792) 3.912 3.890 ( -0.323 -1.665 -3.597) 3.977 3.917 ( -0.361 -0.733 0.487) 0.951 4.008 ( 1.345 0.870 0.768) 1.777 4.047 ( 0.683 -0.038 -0.407) 0.795 4.168 ( -0.422 2.095 -0.314) 2.161 4.217 ( -1.056 2.762 -0.469) 2.994 4.283 ( 1.278 -3.211 -0.465) 3.487 4.354 ( -0.802 -2.066 3.154) 3.855 4.478 ( -1.513 3.120 1.651) 3.841 4.599 ( -1.907 -2.544 0.370) 3.200 4.625 ( 1.974 1.601 0.207) 2.550 4.681 ( -1.424 -1.102 0.282) 1.823 4.828 ( -0.119 4.150 3.267) 5.283 5.037 ( 1.587 -2.822 3.385) 4.684 5.118 ( -0.773 -0.816 3.489) 3.666 5.170 ( -0.665 -2.075 -2.215) 3.107 5.341 ( -2.274 0.053 -5.757) 6.190 5.363 ( -2.822 -0.090 -5.358) 6.056 5.537 ( -3.256 -0.185 -3.626) 4.877 5.597 ( -1.661 -3.123 -3.120) 4.716 5.964 ( 0.336 1.433 -0.191) 1.484 5.991 ( 0.922 3.831 -1.813) 4.337 6.062 ( 0.336 -0.140 4.099) 4.115 6.191 ( 0.888 -2.268 1.622) 2.927 6.436 ( -0.571 2.272 1.868) 2.996 6.599 ( -2.470 -4.975 -3.956) 6.819 8.206 ( 2.745 2.774 0.232) 3.910 8.245 ( -1.009 -0.030 -1.853) 2.110 8.292 ( 2.082 6.016 -0.723) 6.407 8.336 ( 0.773 1.533 -3.957) 4.313 8.433 ( 0.283 -2.313 -2.623) 3.509 8.594 ( 2.046 -4.797 -0.160) 5.218 8.725 ( -1.001 0.725 6.255) 6.376 8.748 ( 0.316 0.227 6.755) 6.766 9.007 ( -1.005 0.104 -0.500) 1.127 9.022 ( 0.699 -0.436 -0.210) 0.850 ======================= Grid point 48 (26/75) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -9.697 10.688 6.323) 15.756 0.499 ( -10.571 12.581 0.922) 16.459 0.816 ( -8.907 11.718 10.164) 17.888 0.869 ( -11.500 2.707 9.361) 15.074 1.087 ( -3.722 -10.640 -1.103) 11.326 1.191 ( 4.722 -3.205 -2.654) 6.293 1.249 ( 2.735 -1.830 -0.159) 3.294 1.387 ( -1.415 1.119 4.356) 4.715 1.479 ( -2.792 -6.279 -0.963) 6.939 1.509 ( 0.882 1.063 -1.312) 1.905 1.627 ( 1.843 -4.975 -0.715) 5.354 1.673 ( 3.443 -0.538 -1.789) 3.917 1.738 ( 0.330 -2.308 -1.418) 2.729 1.777 ( -0.077 -6.490 2.295) 6.884 1.948 ( -1.895 2.057 0.205) 2.804 2.003 ( -0.617 0.213 5.427) 5.466 2.061 ( 1.875 1.767 -4.504) 5.189 2.146 ( 0.705 -0.601 -1.379) 1.662 2.201 ( 3.877 -1.998 1.174) 4.517 2.258 ( -1.498 1.242 -1.992) 2.785 2.299 ( 1.664 0.581 1.805) 2.523 2.335 ( -2.477 -0.886 0.795) 2.748 2.436 ( -1.366 -2.339 -1.023) 2.896 2.472 ( -3.587 -4.831 -0.365) 6.028 2.535 ( 2.368 3.311 -0.024) 4.071 2.600 ( 0.624 2.277 2.291) 3.290 2.678 ( 3.442 -0.541 -0.810) 3.577 2.708 ( 1.663 -3.609 -0.480) 4.002 2.807 ( -0.560 3.480 -0.434) 3.552 2.896 ( 3.868 -0.892 1.497) 4.242 2.930 ( 0.965 6.501 -1.483) 6.737 2.956 ( 3.523 2.123 -3.099) 5.150 2.974 ( 0.997 0.245 -0.337) 1.080 3.063 ( -0.008 2.941 0.651) 3.012 3.142 ( -1.876 -1.834 -2.988) 3.977 3.163 ( 1.222 -0.532 -0.079) 1.335 3.198 ( 1.602 1.699 2.163) 3.183 3.217 ( -0.586 0.376 5.201) 5.247 3.278 ( 2.092 2.083 1.029) 3.126 3.312 ( -1.639 -2.143 -1.904) 3.302 3.329 ( 2.050 1.405 -1.621) 2.968 3.362 ( -5.237 -0.831 -0.950) 5.387 3.471 ( 2.937 -3.043 -1.932) 4.649 3.509 ( 0.240 -2.329 0.364) 2.370 3.580 ( -1.751 4.597 -2.934) 5.727 3.617 ( 1.794 2.486 0.776) 3.162 3.752 ( 1.293 3.788 -0.818) 4.085 3.777 ( 0.189 3.573 -6.997) 7.858 3.867 ( 0.765 -1.579 -2.973) 3.452 3.914 ( 0.627 0.209 -2.195) 2.292 4.032 ( 0.625 -0.663 -1.265) 1.559 4.054 ( -0.364 0.347 1.614) 1.690 4.149 ( -1.439 2.269 -0.721) 2.782 4.183 ( -1.929 2.181 -1.392) 3.227 4.298 ( 1.435 -3.565 -0.449) 3.869 4.387 ( -1.429 -5.267 6.109) 8.191 4.472 ( -1.784 2.815 3.110) 4.558 4.578 ( -0.998 -1.698 0.410) 2.011 4.664 ( 2.229 0.890 1.550) 2.857 4.681 ( 1.384 0.111 -0.339) 1.429 4.866 ( 0.047 3.669 3.976) 5.410 5.017 ( -5.792 -2.729 -8.618) 10.736 5.117 ( -2.012 -0.047 0.808) 2.169 5.180 ( 1.798 -2.610 7.852) 8.467 5.235 ( -2.891 -2.294 1.857) 4.132 5.254 ( -2.978 -0.927 -2.982) 4.315 5.494 ( 0.205 0.919 -0.313) 0.993 5.573 ( 0.309 -2.080 -0.248) 2.117 5.966 ( 0.265 1.331 -0.439) 1.426 5.988 ( 0.843 2.934 -1.958) 3.627 6.123 ( 1.403 -0.904 4.194) 4.514 6.204 ( -0.102 -1.837 -0.640) 1.948 6.441 ( -0.311 1.568 0.954) 1.861 6.512 ( -2.903 -1.665 -1.043) 3.505 8.185 ( -0.714 0.917 -2.383) 2.651 8.250 ( -0.210 -1.627 -0.746) 1.802 8.305 ( 1.073 2.667 -2.011) 3.508 8.363 ( 5.041 6.729 -0.423) 8.418 8.447 ( 3.387 -1.704 -1.686) 4.149 8.615 ( 0.160 -4.121 0.258) 4.132 8.733 ( -1.343 2.102 1.575) 2.950 8.844 ( 0.132 -3.699 5.251) 6.425 8.989 ( -0.692 0.688 0.139) 0.986 9.031 ( 0.551 -0.887 -0.272) 1.079 ======================= Grid point 49 (27/75) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -6.865 -3.419 4.486) 8.885 0.572 ( -6.865 3.419 4.486) 8.885 0.815 ( -0.125 -9.332 6.451) 11.346 0.815 ( -0.125 9.332 6.451) 11.346 1.198 ( 3.523 -2.964 0.601) 4.643 1.198 ( 3.523 2.964 0.601) 4.643 1.336 ( -1.938 -3.317 4.897) 6.224 1.336 ( -1.938 3.317 4.897) 6.224 1.459 ( 0.474 -9.119 1.079) 9.195 1.459 ( 0.474 9.119 1.079) 9.195 1.603 ( 1.673 -4.432 3.056) 5.638 1.603 ( 1.673 4.432 3.056) 5.638 1.706 ( 0.644 -0.757 -1.811) 2.065 1.706 ( 0.644 0.757 -1.811) 2.065 1.965 ( -2.950 -4.339 0.278) 5.254 1.965 ( -2.950 4.339 0.278) 5.254 2.108 ( 1.922 -3.328 -0.832) 3.932 2.108 ( 1.922 3.328 -0.832) 3.932 2.229 ( -1.405 -1.962 -4.342) 4.967 2.229 ( -1.405 1.962 -4.342) 4.967 2.290 ( -1.119 -3.947 0.251) 4.110 2.290 ( -1.119 3.947 0.251) 4.110 2.435 ( 2.162 -2.289 3.125) 4.436 2.435 ( 2.162 2.289 3.125) 4.436 2.609 ( 0.707 -3.901 -1.901) 4.397 2.609 ( 0.707 3.901 -1.901) 4.397 2.716 ( 0.283 -1.509 1.450) 2.111 2.716 ( 0.283 1.509 1.450) 2.111 2.871 ( -1.319 -3.285 -1.356) 3.791 2.871 ( -1.319 3.285 -1.356) 3.791 2.944 ( -5.221 -3.645 -2.466) 6.828 2.944 ( -5.221 3.645 -2.466) 6.828 3.011 ( 0.562 -3.388 -2.864) 4.472 3.011 ( 0.562 3.388 -2.864) 4.472 3.113 ( 2.326 -3.375 -1.303) 4.301 3.113 ( 2.326 3.375 -1.303) 4.301 3.252 ( -2.337 -2.361 2.914) 4.419 3.252 ( -2.337 2.361 2.914) 4.419 3.307 ( 1.280 -1.223 0.416) 1.818 3.307 ( 1.280 1.223 0.416) 1.818 3.334 ( -0.594 -0.212 -0.742) 0.973 3.334 ( -0.594 0.212 -0.742) 0.973 3.475 ( 1.937 -1.642 -4.663) 5.310 3.475 ( 1.937 1.642 -4.663) 5.310 3.608 ( -1.229 -2.932 -3.413) 4.664 3.608 ( -1.229 2.932 -3.413) 4.664 3.785 ( 0.419 -3.422 -3.028) 4.589 3.785 ( 0.419 3.422 -3.028) 4.589 3.885 ( 3.223 -2.389 -2.284) 4.616 3.885 ( 3.223 2.389 -2.284) 4.616 4.026 ( -1.305 -1.206 -0.985) 2.032 4.026 ( -1.305 1.206 -0.985) 2.032 4.126 ( -3.206 -1.472 -0.984) 3.662 4.126 ( -3.206 1.472 -0.984) 3.662 4.322 ( 0.283 -0.865 5.016) 5.098 4.322 ( 0.283 0.865 5.016) 5.098 4.525 ( -1.587 -1.866 0.658) 2.536 4.525 ( -1.587 1.866 0.658) 2.536 4.735 ( 2.330 -1.349 1.915) 3.304 4.735 ( 2.330 1.349 1.915) 3.304 4.871 ( -3.991 -1.360 -0.679) 4.271 4.871 ( -3.991 1.360 -0.679) 4.271 5.180 ( -0.673 -3.089 1.826) 3.651 5.180 ( -0.673 3.089 1.826) 3.651 5.258 ( 5.736 -2.441 4.884) 7.919 5.258 ( 5.736 2.441 4.884) 7.919 5.549 ( 1.316 -1.559 1.724) 2.671 5.549 ( 1.316 1.559 1.724) 2.671 5.993 ( -0.023 -0.923 -0.235) 0.953 5.993 ( -0.023 0.923 -0.235) 0.953 6.136 ( -1.312 -1.883 -2.017) 3.056 6.136 ( -1.312 1.883 -2.017) 3.056 6.480 ( 0.780 -3.233 1.176) 3.527 6.480 ( 0.780 3.233 1.176) 3.527 8.195 ( 0.899 -1.073 -2.087) 2.513 8.195 ( 0.899 1.073 -2.087) 2.513 8.415 ( 3.103 -3.840 0.223) 4.942 8.415 ( 3.103 3.840 0.223) 4.942 8.534 ( -0.087 -3.545 0.514) 3.583 8.534 ( -0.087 3.545 0.514) 3.583 8.736 ( -4.864 -0.913 -1.588) 5.197 8.736 ( -4.864 0.913 -1.588) 5.197 9.009 ( 0.163 -1.196 -0.006) 1.207 9.009 ( 0.163 1.196 -0.006) 1.207 ======================= Grid point 51 (28/75) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 2.081 -3.344 5.843) 7.046 0.581 ( 2.081 3.344 5.843) 7.046 0.911 ( 4.083 -7.553 6.634) 10.850 0.911 ( 4.083 7.553 6.634) 10.850 1.225 ( -0.803 -1.463 -0.350) 1.705 1.225 ( -0.803 1.463 -0.350) 1.705 1.322 ( -2.069 -1.321 0.881) 2.608 1.322 ( -2.069 1.321 0.881) 2.608 1.491 ( 0.534 -3.319 0.228) 3.370 1.491 ( 0.534 3.319 0.228) 3.370 1.628 ( -2.733 -3.144 3.814) 5.648 1.628 ( -2.733 3.144 3.814) 5.648 1.769 ( 5.731 -0.698 2.648) 6.352 1.769 ( 5.731 0.698 2.648) 6.352 1.934 ( 0.516 -2.866 -1.605) 3.325 1.934 ( 0.516 2.866 -1.605) 3.325 2.108 ( -2.188 -3.644 1.241) 4.428 2.108 ( -2.188 3.644 1.241) 4.428 2.193 ( -0.198 -2.637 1.474) 3.027 2.193 ( -0.198 2.637 1.474) 3.027 2.291 ( 2.121 -5.216 -2.485) 6.155 2.291 ( 2.121 5.216 -2.485) 6.155 2.473 ( -1.539 -4.316 2.668) 5.303 2.473 ( -1.539 4.316 2.668) 5.303 2.590 ( -0.366 -1.878 -3.702) 4.168 2.590 ( -0.366 1.878 -3.702) 4.168 2.681 ( -4.525 -0.881 -0.177) 4.613 2.681 ( -4.525 0.881 -0.177) 4.613 2.803 ( -3.456 -1.938 1.795) 4.350 2.803 ( -3.456 1.938 1.795) 4.350 2.863 ( -0.272 -6.081 -4.888) 7.806 2.863 ( -0.272 6.081 -4.888) 7.806 3.017 ( 0.020 -1.823 0.364) 1.859 3.017 ( 0.020 1.823 0.364) 1.859 3.120 ( 0.326 -2.668 -3.133) 4.128 3.120 ( 0.326 2.668 -3.133) 4.128 3.230 ( -2.228 -4.459 1.213) 5.130 3.230 ( -2.228 4.459 1.213) 5.130 3.304 ( -1.266 -0.762 0.070) 1.480 3.304 ( -1.266 0.762 0.070) 1.480 3.343 ( 2.040 -2.350 -0.513) 3.154 3.343 ( 2.040 2.350 -0.513) 3.154 3.429 ( -0.815 -2.782 -4.907) 5.699 3.429 ( -0.815 2.782 -4.907) 5.699 3.579 ( 0.728 -0.790 0.889) 1.394 3.579 ( 0.728 0.790 0.889) 1.394 3.772 ( 1.698 -1.747 -5.040) 5.598 3.772 ( 1.698 1.747 -5.040) 5.598 3.909 ( -0.086 -2.561 -1.119) 2.796 3.909 ( -0.086 2.561 -1.119) 2.796 4.009 ( 1.843 -3.494 -0.699) 4.011 4.009 ( 1.843 3.494 -0.699) 4.011 4.112 ( 1.447 -0.831 0.164) 1.677 4.112 ( 1.447 0.831 0.164) 1.677 4.365 ( -0.999 -0.885 3.189) 3.458 4.365 ( -0.999 0.885 3.189) 3.458 4.503 ( -0.397 -0.273 0.919) 1.038 4.503 ( -0.397 0.273 0.919) 1.038 4.760 ( -3.049 -2.576 2.906) 4.937 4.760 ( -3.049 2.576 2.906) 4.937 4.820 ( -0.069 -3.729 -1.260) 3.937 4.820 ( -0.069 3.729 -1.260) 3.937 5.184 ( -0.271 -2.706 0.925) 2.872 5.184 ( -0.271 2.706 0.925) 2.872 5.390 ( 4.048 -3.061 1.429) 5.272 5.390 ( 4.048 3.061 1.429) 5.272 5.613 ( 3.200 -1.445 3.502) 4.959 5.613 ( 3.200 1.445 3.502) 4.959 5.992 ( 0.084 -0.862 -0.060) 0.868 5.992 ( 0.084 0.862 -0.060) 0.868 6.088 ( -1.459 -2.159 -2.069) 3.328 6.088 ( -1.459 2.159 -2.069) 3.328 6.506 ( 0.988 -6.586 0.455) 6.676 6.506 ( 0.988 6.586 0.455) 6.676 8.208 ( 2.813 -1.692 -2.066) 3.879 8.208 ( 2.813 1.692 -2.066) 3.879 8.463 ( 0.463 -4.651 0.168) 4.677 8.463 ( 0.463 4.651 0.168) 4.677 8.522 ( -1.731 -1.736 2.399) 3.430 8.522 ( -1.731 1.736 2.399) 3.430 8.624 ( -4.055 -2.708 -2.579) 5.517 8.624 ( -4.055 2.708 -2.579) 5.517 9.013 ( 0.364 -0.626 -0.105) 0.732 9.013 ( 0.364 0.626 -0.105) 0.732 ======================= Grid point 53 (29/75) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 4.204 -2.577 4.158) 6.450 0.698 ( 4.204 2.577 4.158) 6.450 1.069 ( 4.939 -5.301 5.699) 9.218 1.069 ( 4.939 5.301 5.699) 9.218 1.204 ( -0.389 -4.637 0.736) 4.712 1.204 ( -0.389 4.637 0.736) 4.712 1.263 ( -2.459 -2.908 -1.799) 4.212 1.263 ( -2.459 2.908 -1.799) 4.212 1.488 ( 0.109 -5.109 -1.314) 5.276 1.488 ( 0.109 5.109 -1.314) 5.276 1.635 ( -1.054 -1.468 3.851) 4.254 1.635 ( -1.054 1.468 3.851) 4.254 1.854 ( 0.530 -1.443 0.374) 1.582 1.854 ( 0.530 1.443 0.374) 1.582 1.918 ( 1.546 -2.911 -2.228) 3.979 1.918 ( 1.546 2.911 -2.228) 3.979 2.106 ( -1.044 -0.361 1.076) 1.542 2.106 ( -1.044 0.361 1.076) 1.542 2.195 ( -3.162 -0.438 3.142) 4.479 2.195 ( -3.162 0.438 3.142) 4.479 2.317 ( 2.503 -1.115 -0.856) 2.871 2.317 ( 2.503 1.115 -0.856) 2.871 2.428 ( -4.867 -5.137 1.162) 7.171 2.428 ( -4.867 5.137 1.162) 7.171 2.561 ( 0.428 -0.404 -0.149) 0.607 2.561 ( 0.428 0.404 -0.149) 0.607 2.622 ( -1.337 -1.072 0.742) 1.867 2.622 ( -1.337 1.072 0.742) 1.867 2.771 ( -1.645 -2.249 -2.394) 3.673 2.771 ( -1.645 2.249 -2.394) 3.673 2.864 ( 2.544 -2.188 3.027) 4.519 2.864 ( 2.544 2.188 3.027) 4.519 2.988 ( -1.860 -3.857 -2.834) 5.135 2.988 ( -1.860 3.857 -2.834) 5.135 3.099 ( 0.475 -3.537 -1.164) 3.754 3.099 ( 0.475 3.537 -1.164) 3.754 3.202 ( -2.085 -4.737 0.701) 5.222 3.202 ( -2.085 4.737 0.701) 5.222 3.278 ( -2.326 -0.912 0.531) 2.554 3.278 ( -2.326 0.912 0.531) 2.554 3.344 ( 0.978 -4.069 -3.125) 5.223 3.344 ( 0.978 4.069 -3.125) 5.223 3.425 ( 2.515 -3.672 -0.347) 4.464 3.425 ( 2.515 3.672 -0.347) 4.464 3.636 ( 2.777 -1.344 2.558) 4.008 3.636 ( 2.777 1.344 2.558) 4.008 3.729 ( -0.719 -2.029 -4.477) 4.968 3.729 ( -0.719 2.029 -4.477) 4.968 3.894 ( -0.241 -2.010 -0.094) 2.026 3.894 ( -0.241 2.010 -0.094) 2.026 4.036 ( 1.333 -2.930 -1.487) 3.546 4.036 ( 1.333 2.930 -1.487) 3.546 4.159 ( 3.535 -0.094 -0.472) 3.567 4.159 ( 3.535 0.094 -0.472) 3.567 4.331 ( -2.891 -1.225 -0.957) 3.282 4.331 ( -2.891 1.225 -0.957) 3.282 4.552 ( 2.050 -1.395 4.260) 4.929 4.552 ( 2.050 1.395 4.260) 4.929 4.704 ( -4.257 -2.296 0.575) 4.871 4.704 ( -4.257 2.296 0.575) 4.871 4.828 ( 0.301 -2.218 1.029) 2.463 4.828 ( 0.301 2.218 1.029) 2.463 5.185 ( -0.505 -2.701 0.374) 2.774 5.185 ( -0.505 2.701 0.374) 2.774 5.430 ( 1.453 -0.673 -1.265) 2.040 5.430 ( 1.453 0.673 -1.265) 2.040 5.691 ( 2.515 -0.417 0.745) 2.656 5.691 ( 2.515 0.417 0.745) 2.656 5.993 ( -0.048 -1.248 0.067) 1.250 5.993 ( -0.048 1.248 0.067) 1.250 6.057 ( -0.257 -2.552 -1.045) 2.770 6.057 ( -0.257 2.552 -1.045) 2.770 6.518 ( 0.115 -8.048 0.311) 8.054 6.518 ( 0.115 8.048 0.311) 8.054 8.247 ( 3.455 -4.537 -1.424) 5.877 8.247 ( 3.455 4.537 -1.424) 5.877 8.399 ( -4.071 -4.476 -2.167) 6.427 8.399 ( -4.071 4.476 -2.167) 6.427 8.537 ( -0.783 -1.684 -0.380) 1.896 8.537 ( -0.783 1.684 -0.380) 1.896 8.587 ( 0.085 -2.530 3.304) 4.162 8.587 ( 0.085 2.530 3.304) 4.162 9.018 ( 0.396 -0.212 -0.308) 0.545 9.018 ( 0.396 0.212 -0.308) 0.545 ======================= Grid point 55 (30/75) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 1.702 -2.847 1.774) 3.761 0.776 ( 1.702 2.847 1.774) 3.761 1.077 ( -3.224 -2.214 -2.014) 4.399 1.077 ( -3.224 2.214 -2.014) 4.399 1.191 ( -2.150 -2.101 2.867) 4.155 1.191 ( -2.150 2.101 2.867) 4.155 1.347 ( 7.238 -1.584 0.674) 7.440 1.347 ( 7.238 1.584 0.674) 7.440 1.469 ( -2.017 -6.542 1.495) 7.008 1.469 ( -2.017 6.542 1.495) 7.008 1.634 ( -1.874 -0.365 0.424) 1.956 1.634 ( -1.874 0.365 0.424) 1.956 1.815 ( -1.402 -1.628 -1.378) 2.553 1.815 ( -1.402 1.628 -1.378) 2.553 1.959 ( 1.246 -1.552 -1.430) 2.451 1.959 ( 1.246 1.552 -1.430) 2.451 2.077 ( -0.277 -1.776 -0.030) 1.798 2.077 ( -0.277 1.776 -0.030) 1.798 2.158 ( -2.979 -1.590 0.747) 3.458 2.158 ( -2.979 1.590 0.747) 3.458 2.328 ( 0.434 -2.851 0.039) 2.884 2.328 ( 0.434 2.851 0.039) 2.884 2.363 ( -3.366 -4.487 0.832) 5.670 2.363 ( -3.366 4.487 0.832) 5.670 2.583 ( 0.378 -0.952 0.647) 1.212 2.583 ( 0.378 0.952 0.647) 1.212 2.632 ( -0.076 -2.095 2.432) 3.211 2.632 ( -0.076 2.095 2.432) 3.211 2.778 ( 2.345 -4.086 3.424) 5.824 2.778 ( 2.345 4.086 3.424) 5.824 2.890 ( -2.824 -3.202 -1.956) 4.696 2.890 ( -2.824 3.202 -1.956) 4.696 2.975 ( 3.289 -5.848 0.880) 6.767 2.975 ( 3.289 5.848 0.880) 6.767 3.110 ( 0.783 -3.323 0.344) 3.431 3.110 ( 0.783 3.323 0.344) 3.431 3.182 ( -0.369 -3.693 0.392) 3.732 3.182 ( -0.369 3.693 0.392) 3.732 3.240 ( -2.110 -4.894 0.165) 5.332 3.240 ( -2.110 4.894 0.165) 5.332 3.346 ( 2.224 -1.934 -2.495) 3.861 3.346 ( 2.224 1.934 -2.495) 3.861 3.460 ( 0.491 -3.139 1.512) 3.519 3.460 ( 0.491 3.139 1.512) 3.519 3.642 ( -1.354 -2.162 -2.366) 3.479 3.642 ( -1.354 2.162 -2.366) 3.479 3.740 ( 2.297 -1.433 2.223) 3.503 3.740 ( 2.297 1.433 2.223) 3.503 3.897 ( 0.945 -2.264 -0.897) 2.612 3.897 ( 0.945 2.264 -0.897) 2.612 4.028 ( -0.345 -3.329 -1.057) 3.509 4.028 ( -0.345 3.329 -1.057) 3.509 4.202 ( 2.209 -1.103 -1.439) 2.857 4.202 ( 2.209 1.103 -1.439) 2.857 4.291 ( -0.126 -1.895 -0.889) 2.097 4.291 ( -0.126 1.895 -0.889) 2.097 4.604 ( -1.875 -2.984 2.993) 4.624 4.604 ( -1.875 2.984 2.993) 4.624 4.650 ( -1.101 -3.633 0.231) 3.804 4.650 ( -1.101 3.633 0.231) 3.804 4.847 ( 0.188 -1.595 2.473) 2.949 4.847 ( 0.188 1.595 2.473) 2.949 5.173 ( -0.724 -2.577 -0.473) 2.718 5.173 ( -0.724 2.577 -0.473) 2.718 5.434 ( 0.842 -1.253 -1.906) 2.432 5.434 ( 0.842 1.253 -1.906) 2.432 5.702 ( -0.041 -0.585 -3.052) 3.108 5.702 ( -0.041 0.585 -3.052) 3.108 5.993 ( -0.022 -1.553 0.115) 1.558 5.993 ( -0.022 1.553 0.115) 1.558 6.058 ( 0.702 -3.212 0.208) 3.294 6.058 ( 0.702 3.212 0.208) 3.294 6.521 ( -0.402 -7.551 0.759) 7.600 6.521 ( -0.402 7.551 0.759) 7.600 8.282 ( 0.318 -6.775 -0.679) 6.816 8.282 ( 0.318 6.775 -0.679) 6.816 8.336 ( 1.078 -3.490 -2.737) 4.564 8.336 ( 1.078 3.490 -2.737) 4.564 8.499 ( -1.510 -0.331 -2.433) 2.883 8.499 ( -1.510 0.331 -2.433) 2.883 8.639 ( 0.027 -2.487 5.716) 6.233 8.639 ( 0.027 2.487 5.716) 6.233 9.020 ( 0.252 -0.648 -0.480) 0.845 9.020 ( 0.252 0.648 -0.480) 0.845 ======================= Grid point 57 (31/75) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.997 -1.086 3.744) 4.024 0.807 ( -0.997 1.086 3.744) 4.024 1.000 ( -2.907 -7.772 -2.817) 8.763 1.000 ( -2.907 7.772 -2.817) 8.763 1.152 ( -3.885 -1.698 -1.585) 4.527 1.152 ( -3.885 1.698 -1.585) 4.527 1.390 ( -2.527 -1.991 1.332) 3.482 1.390 ( -2.527 1.991 1.332) 3.482 1.487 ( 2.465 -2.631 0.153) 3.608 1.487 ( 2.465 2.631 0.153) 3.608 1.588 ( -3.847 -7.081 1.845) 8.267 1.588 ( -3.847 7.081 1.845) 8.267 1.791 ( 0.352 -2.367 -3.450) 4.199 1.791 ( 0.352 2.367 -3.450) 4.199 1.933 ( 0.246 -4.107 -2.553) 4.842 1.933 ( 0.246 4.107 -2.553) 4.842 2.072 ( -2.316 -3.316 2.437) 4.722 2.072 ( -2.316 3.316 2.437) 4.722 2.164 ( 2.118 -1.900 1.208) 3.091 2.164 ( 2.118 1.900 1.208) 3.091 2.327 ( 0.498 -2.455 0.370) 2.533 2.327 ( 0.498 2.455 0.370) 2.533 2.373 ( 0.962 -8.038 2.404) 8.445 2.373 ( 0.962 8.038 2.404) 8.445 2.573 ( 0.146 -2.883 -1.771) 3.387 2.573 ( 0.146 2.883 -1.771) 3.387 2.683 ( 1.226 -1.968 5.013) 5.523 2.683 ( 1.226 1.968 5.013) 5.523 2.795 ( -3.379 -1.421 -1.144) 3.840 2.795 ( -3.379 1.421 -1.144) 3.840 2.876 ( 2.976 -2.087 1.740) 4.030 2.876 ( 2.976 2.087 1.740) 4.030 3.024 ( 1.439 -4.546 0.989) 4.870 3.024 ( 1.439 4.546 0.989) 4.870 3.125 ( 0.266 -2.278 0.566) 2.363 3.125 ( 0.266 2.278 0.566) 2.363 3.186 ( 0.489 -2.447 -0.446) 2.535 3.186 ( 0.489 2.447 -0.446) 2.535 3.232 ( 0.210 -5.339 1.950) 5.688 3.232 ( 0.210 5.339 1.950) 5.688 3.359 ( 2.112 -2.144 -3.399) 4.540 3.359 ( 2.112 2.144 -3.399) 4.540 3.467 ( -2.030 -2.732 2.573) 4.267 3.467 ( -2.030 2.732 2.573) 4.267 3.616 ( 0.195 -1.911 0.091) 1.923 3.616 ( 0.195 1.911 0.091) 1.923 3.790 ( 2.163 -2.439 0.493) 3.297 3.790 ( 2.163 2.439 0.493) 3.297 3.897 ( 0.055 -0.672 -1.443) 1.593 3.897 ( 0.055 0.672 -1.443) 1.593 4.021 ( 0.606 -2.351 -0.766) 2.545 4.021 ( 0.606 2.351 -0.766) 2.545 4.216 ( 1.628 -2.130 -1.969) 3.326 4.216 ( 1.628 2.130 -1.969) 3.326 4.297 ( -0.064 -2.697 0.985) 2.872 4.297 ( -0.064 2.697 0.985) 2.872 4.566 ( -2.439 -3.355 0.234) 4.154 4.566 ( -2.439 3.355 0.234) 4.154 4.653 ( -0.699 -3.026 1.467) 3.434 4.653 ( -0.699 3.026 1.467) 3.434 4.886 ( 0.656 -4.001 3.798) 5.555 4.886 ( 0.656 4.001 3.798) 5.555 5.153 ( -0.707 -2.406 -1.111) 2.743 5.153 ( -0.707 2.406 -1.111) 2.743 5.420 ( -0.126 -0.767 -2.762) 2.869 5.420 ( -0.126 0.767 -2.762) 2.869 5.637 ( -2.628 -0.156 -5.096) 5.736 5.637 ( -2.628 0.156 -5.096) 5.736 5.995 ( 0.090 -1.674 0.220) 1.691 5.995 ( 0.090 1.674 0.220) 1.691 6.083 ( 1.275 -3.991 1.268) 4.377 6.083 ( 1.275 3.991 1.268) 4.377 6.518 ( -0.818 -6.018 0.644) 6.107 6.518 ( -0.818 6.018 0.644) 6.107 8.256 ( -0.448 -3.192 -1.968) 3.776 8.256 ( -0.448 3.192 -1.968) 3.776 8.373 ( 3.323 -3.775 -1.034) 5.134 8.373 ( 3.323 3.775 -1.034) 5.134 8.448 ( -1.047 -2.664 -2.743) 3.965 8.448 ( -1.047 2.664 -2.743) 3.965 8.691 ( -0.397 -1.741 5.979) 6.240 8.691 ( -0.397 1.741 5.979) 6.240 9.018 ( 0.021 -0.359 -0.504) 0.619 9.018 ( 0.021 0.359 -0.504) 0.619 ======================= Grid point 59 (32/75) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -7.965 -6.719 6.393) 12.226 0.786 ( -7.965 6.719 6.393) 12.226 0.914 ( -5.857 -11.719 0.033) 13.101 0.914 ( -5.857 11.719 0.033) 13.101 1.078 ( 1.860 -2.554 -5.682) 6.501 1.078 ( 1.860 2.554 -5.682) 6.501 1.325 ( -3.818 -6.086 -0.452) 7.199 1.325 ( -3.818 6.086 -0.452) 7.199 1.530 ( -0.447 -4.934 3.731) 6.202 1.530 ( -0.447 4.934 3.731) 6.202 1.567 ( -0.315 -3.901 0.826) 3.999 1.567 ( -0.315 3.901 0.826) 3.999 1.730 ( -1.944 -2.634 -4.605) 5.650 1.730 ( -1.944 2.634 -4.605) 5.650 1.952 ( 1.398 -2.160 2.363) 3.494 1.952 ( 1.398 2.160 2.363) 3.494 2.093 ( 1.987 -2.772 0.498) 3.446 2.093 ( 1.987 2.772 0.498) 3.446 2.189 ( 0.130 -4.645 2.603) 5.326 2.189 ( 0.130 4.645 2.603) 5.326 2.341 ( -0.228 -2.946 -1.849) 3.486 2.341 ( -0.228 2.946 -1.849) 3.486 2.412 ( 1.028 -3.004 1.807) 3.653 2.412 ( 1.028 3.004 1.807) 3.653 2.575 ( 2.356 -3.542 -0.930) 4.355 2.575 ( 2.356 3.542 -0.930) 4.355 2.680 ( -2.444 -0.651 -2.200) 3.352 2.680 ( -2.444 0.651 -2.200) 3.352 2.803 ( 1.951 -1.805 3.902) 4.721 2.803 ( 1.951 1.805 3.902) 4.721 2.937 ( 2.405 -2.865 1.712) 4.114 2.937 ( 2.405 2.865 1.712) 4.114 3.067 ( 1.788 -4.324 0.241) 4.686 3.067 ( 1.788 4.324 0.241) 4.686 3.133 ( 1.173 -2.407 0.341) 2.700 3.133 ( 1.173 2.407 0.341) 2.700 3.198 ( 0.953 -2.943 0.032) 3.094 3.198 ( 0.953 2.943 0.032) 3.094 3.259 ( 0.404 -1.408 1.839) 2.351 3.259 ( 0.404 1.408 1.839) 2.351 3.354 ( 1.194 -2.646 -2.972) 4.154 3.354 ( 1.194 2.646 -2.972) 4.154 3.443 ( -2.255 -3.385 1.319) 4.276 3.443 ( -2.255 3.385 1.319) 4.276 3.639 ( 0.741 -1.371 1.449) 2.129 3.639 ( 0.741 1.371 1.449) 2.129 3.825 ( 1.818 -3.046 -1.562) 3.876 3.825 ( 1.818 3.046 -1.562) 3.876 3.878 ( 0.632 -2.669 -2.797) 3.917 3.878 ( 0.632 2.669 -2.797) 3.917 4.026 ( -0.016 -1.218 0.841) 1.480 4.026 ( -0.016 1.218 0.841) 1.480 4.222 ( 1.312 -2.496 -2.155) 3.549 4.222 ( 1.312 2.496 -2.155) 3.549 4.291 ( -2.346 -3.739 2.389) 5.020 4.291 ( -2.346 3.739 2.389) 5.020 4.540 ( -1.386 -2.839 1.016) 3.319 4.540 ( -1.386 2.839 1.016) 3.319 4.657 ( 0.360 -1.301 0.454) 1.424 4.657 ( 0.360 1.301 0.454) 1.424 4.934 ( 0.336 -5.589 3.892) 6.819 4.934 ( 0.336 5.589 3.892) 6.819 5.130 ( -0.947 -1.503 -0.404) 1.822 5.130 ( -0.947 1.503 -0.404) 1.822 5.354 ( -3.770 -0.715 -5.114) 6.394 5.354 ( -3.770 0.715 -5.114) 6.394 5.548 ( -1.826 -1.411 -2.945) 3.741 5.548 ( -1.826 1.411 -2.945) 3.741 5.998 ( -0.015 -1.603 0.099) 1.606 5.998 ( -0.015 1.603 0.099) 1.606 6.122 ( 1.539 -4.029 1.457) 4.552 6.122 ( 1.539 4.029 1.457) 4.552 6.501 ( -1.545 -3.917 0.110) 4.213 6.501 ( -1.545 3.917 0.110) 4.213 8.236 ( -0.142 -0.782 -1.539) 1.732 8.236 ( -0.142 0.782 -1.539) 1.732 8.378 ( 0.544 -2.568 -3.686) 4.525 8.378 ( 0.544 2.568 -3.686) 4.525 8.458 ( 3.163 -7.588 0.220) 8.224 8.458 ( 3.163 7.588 0.220) 8.224 8.742 ( -0.062 -0.672 5.512) 5.553 8.742 ( -0.062 0.672 5.512) 5.553 9.012 ( -0.126 -0.414 -0.339) 0.550 9.012 ( -0.126 0.414 -0.339) 0.550 ======================= Grid point 61 (33/75) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -10.170 -8.895 5.911) 14.747 0.684 ( -10.170 8.895 5.911) 14.747 0.810 ( -4.751 -12.825 1.674) 13.779 0.810 ( -4.751 12.825 1.674) 13.779 1.121 ( 4.686 -4.910 -0.246) 6.791 1.121 ( 4.686 4.910 -0.246) 6.791 1.296 ( -0.761 -8.210 3.538) 8.973 1.296 ( -0.761 8.210 3.538) 8.973 1.510 ( -4.090 -7.188 -1.385) 8.385 1.510 ( -4.090 7.188 -1.385) 8.385 1.564 ( 0.464 -5.402 1.408) 5.602 1.564 ( 0.464 5.402 1.408) 5.602 1.703 ( 1.339 -0.826 -1.090) 1.914 1.703 ( 1.339 0.826 -1.090) 1.914 1.990 ( -1.375 -1.234 3.871) 4.289 1.990 ( -1.375 1.234 3.871) 4.289 2.097 ( 1.687 -2.026 -4.165) 4.929 2.097 ( 1.687 2.026 -4.165) 4.929 2.258 ( 1.677 -4.583 2.745) 5.599 2.258 ( 1.677 4.583 2.745) 5.599 2.305 ( -0.404 -2.234 -1.718) 2.847 2.305 ( -0.404 2.234 -1.718) 2.847 2.400 ( -1.880 -0.377 0.474) 1.976 2.400 ( -1.880 0.377 0.474) 1.976 2.623 ( 0.770 -3.851 -3.483) 5.249 2.623 ( 0.770 3.851 -3.483) 5.249 2.656 ( 3.484 -2.546 1.962) 4.741 2.656 ( 3.484 2.546 1.962) 4.741 2.864 ( 2.086 -1.915 0.979) 2.996 2.864 ( 2.086 1.915 0.979) 2.996 2.977 ( 0.407 -1.048 0.496) 1.229 2.977 ( 0.407 1.048 0.496) 1.229 3.072 ( -0.080 -5.138 -1.926) 5.487 3.072 ( -0.080 5.138 -1.926) 5.487 3.123 ( -1.940 -1.976 -2.712) 3.876 3.123 ( -1.940 1.976 -2.712) 3.876 3.235 ( 0.176 -0.833 4.485) 4.565 3.235 ( 0.176 0.833 4.485) 4.565 3.284 ( 1.634 -1.257 -0.166) 2.068 3.284 ( 1.634 1.257 -0.166) 2.068 3.343 ( -0.671 -0.747 -0.117) 1.011 3.343 ( -0.671 0.747 -0.117) 1.011 3.450 ( 3.654 -1.988 -2.260) 4.734 3.450 ( 3.654 1.988 -2.260) 4.734 3.646 ( -0.250 -0.645 -1.428) 1.587 3.646 ( -0.250 0.645 -1.428) 1.587 3.811 ( -0.702 -2.890 -1.703) 3.427 3.811 ( -0.702 2.890 -1.703) 3.427 3.875 ( 2.074 -3.814 -3.823) 5.785 3.875 ( 2.074 3.814 -3.823) 5.785 4.039 ( 0.013 -1.500 0.807) 1.703 4.039 ( 0.013 1.500 0.807) 1.703 4.205 ( -1.055 -2.022 -3.851) 4.476 4.205 ( -1.055 2.022 -3.851) 4.476 4.282 ( -2.213 -3.755 5.604) 7.100 4.282 ( -2.213 3.755 5.604) 7.100 4.532 ( -0.946 -2.622 1.464) 3.148 4.532 ( -0.946 2.622 1.464) 3.148 4.680 ( 1.875 -0.397 0.625) 2.016 4.680 ( 1.875 0.397 0.625) 2.016 4.944 ( -2.709 -3.701 0.399) 4.604 4.944 ( -2.709 3.701 0.399) 4.604 5.130 ( -0.113 -1.402 4.578) 4.790 5.130 ( -0.113 1.402 4.578) 4.790 5.236 ( -2.968 -0.762 -3.291) 4.497 5.236 ( -2.968 0.762 -3.291) 4.497 5.526 ( 0.451 -2.103 -0.172) 2.158 5.526 ( 0.451 2.103 -0.172) 2.158 5.997 ( -0.099 -1.269 -0.146) 1.281 5.997 ( -0.099 1.269 -0.146) 1.281 6.152 ( 0.768 -2.695 -0.065) 2.803 6.152 ( 0.768 2.695 -0.065) 2.803 6.475 ( -1.317 -1.721 0.517) 2.228 6.475 ( -1.317 1.721 0.517) 2.228 8.213 ( -0.639 -1.631 -1.614) 2.382 8.213 ( -0.639 1.631 -1.614) 2.382 8.373 ( 2.568 -3.257 -2.352) 4.769 8.373 ( 2.568 3.257 -2.352) 4.769 8.511 ( 2.183 -5.542 0.365) 5.968 8.511 ( 2.183 5.542 0.365) 5.968 8.781 ( -0.851 -2.468 2.656) 3.724 8.781 ( -0.851 2.468 2.656) 3.724 9.008 ( -0.060 -1.109 -0.084) 1.114 9.008 ( -0.060 1.109 -0.084) 1.114 ======================= Grid point 70 (34/75) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.653 0.000 13.054) 13.070 0.702 ( 3.891 0.000 13.127) 13.692 0.932 ( -10.160 0.000 8.630) 13.331 1.169 ( 4.568 0.000 4.092) 6.133 1.224 ( 0.506 0.000 0.502) 0.713 1.247 ( -4.109 0.000 9.188) 10.065 1.324 ( 4.816 0.000 6.039) 7.724 1.488 ( -0.876 0.000 8.662) 8.706 1.566 ( 6.797 0.000 -2.434) 7.219 1.599 ( -3.506 0.000 1.554) 3.835 1.600 ( 1.391 0.000 -5.674) 5.842 1.644 ( 3.222 0.000 7.352) 8.027 1.734 ( -0.329 0.000 -5.948) 5.957 1.738 ( -0.514 0.000 -3.021) 3.064 1.849 ( -1.245 0.000 -2.678) 2.953 1.875 ( -4.500 0.000 -1.701) 4.811 2.083 ( -2.203 0.000 -3.898) 4.478 2.108 ( -1.039 0.000 -4.710) 4.824 2.164 ( -2.293 0.000 5.930) 6.358 2.245 ( -0.575 0.000 2.785) 2.843 2.293 ( 5.347 0.000 3.488) 6.384 2.399 ( -3.209 0.000 2.297) 3.946 2.480 ( 3.746 0.000 -1.607) 4.076 2.544 ( -0.523 0.000 0.674) 0.853 2.585 ( -1.056 0.000 1.904) 2.177 2.637 ( -5.922 0.000 -3.681) 6.973 2.645 ( -2.352 0.000 -4.907) 5.442 2.719 ( -0.230 0.000 0.259) 0.346 2.733 ( 1.340 0.000 3.697) 3.933 2.752 ( 3.756 0.000 2.387) 4.450 2.819 ( -7.337 0.000 -1.729) 7.538 2.938 ( 2.010 0.000 -3.340) 3.898 3.006 ( -5.222 0.000 -2.967) 6.006 3.021 ( 0.699 0.000 3.841) 3.905 3.067 ( 0.490 0.000 -2.511) 2.558 3.116 ( -0.548 0.000 -0.748) 0.928 3.140 ( -2.320 0.000 -0.064) 2.321 3.203 ( 1.891 0.000 2.071) 2.804 3.210 ( 3.487 0.000 -2.726) 4.426 3.313 ( -1.276 0.000 1.248) 1.785 3.334 ( -3.040 0.000 3.010) 4.278 3.405 ( 0.629 0.000 -1.794) 1.901 3.447 ( 5.039 0.000 0.843) 5.109 3.491 ( -2.914 0.000 -0.278) 2.927 3.554 ( 2.079 0.000 -6.166) 6.507 3.607 ( -1.844 0.000 2.951) 3.480 3.664 ( -1.700 0.000 -1.508) 2.273 3.717 ( 0.860 0.000 -1.172) 1.454 3.800 ( 2.104 0.000 -0.851) 2.270 3.804 ( 1.191 0.000 -3.304) 3.512 3.987 ( 0.395 0.000 -0.986) 1.062 4.037 ( 1.048 0.000 -4.468) 4.589 4.074 ( -0.090 0.000 1.799) 1.802 4.156 ( 0.281 0.000 0.605) 0.667 4.412 ( 4.012 0.000 1.757) 4.379 4.453 ( -2.448 0.000 0.851) 2.592 4.506 ( -7.532 0.000 2.499) 7.936 4.522 ( -2.979 0.000 -1.491) 3.331 4.722 ( 3.350 0.000 2.016) 3.909 4.739 ( -1.667 0.000 2.456) 2.968 4.905 ( 2.533 0.000 0.655) 2.616 4.961 ( -3.134 0.000 3.141) 4.437 5.090 ( -1.234 0.000 -0.437) 1.309 5.103 ( -0.451 0.000 -2.518) 2.558 5.298 ( 5.710 0.000 2.678) 6.306 5.532 ( -0.075 0.000 -3.012) 3.013 5.573 ( 3.400 0.000 3.846) 5.133 5.680 ( 3.736 0.000 0.766) 3.814 5.941 ( 0.715 0.000 0.836) 1.100 5.954 ( 0.042 0.000 -0.132) 0.139 6.125 ( -4.589 0.000 -1.433) 4.808 6.136 ( -1.169 0.000 -2.481) 2.743 6.405 ( -1.882 0.000 0.164) 1.890 6.658 ( 10.849 0.000 -6.376) 12.584 8.116 ( -3.634 0.000 -2.486) 4.403 8.140 ( 3.686 0.000 -2.038) 4.212 8.370 ( 1.765 0.000 3.646) 4.051 8.435 ( 2.336 0.000 4.343) 4.931 8.511 ( 4.835 0.000 -0.829) 4.905 8.638 ( -0.445 0.000 -2.478) 2.517 8.654 ( -4.565 0.000 0.540) 4.597 8.675 ( -11.710 0.000 -0.863) 11.742 8.993 ( 0.481 0.000 0.627) 0.791 9.030 ( 0.030 0.000 -0.845) 0.845 ======================= Grid point 71 (35/75) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -4.440 0.000 5.212) 6.847 0.796 ( 3.118 0.000 8.219) 8.791 0.973 ( 4.872 0.000 9.790) 10.935 1.181 ( -4.650 0.000 3.202) 5.645 1.220 ( -1.868 0.000 1.997) 2.734 1.294 ( 2.619 0.000 -2.086) 3.348 1.376 ( 0.774 0.000 2.145) 2.281 1.510 ( -2.670 0.000 -1.269) 2.956 1.538 ( -2.160 0.000 -4.339) 4.847 1.645 ( -2.408 0.000 -2.854) 3.734 1.656 ( 3.571 0.000 -2.062) 4.124 1.734 ( 3.505 0.000 13.347) 13.800 1.737 ( 3.341 0.000 3.349) 4.730 1.759 ( 4.696 0.000 -0.575) 4.731 1.814 ( -0.940 0.000 -0.131) 0.949 1.819 ( -2.710 0.000 0.149) 2.715 2.074 ( 3.150 0.000 1.818) 3.637 2.082 ( 1.191 0.000 -1.072) 1.602 2.174 ( -1.674 0.000 4.997) 5.270 2.256 ( -1.164 0.000 1.417) 1.833 2.358 ( -2.744 0.000 -0.890) 2.885 2.403 ( 2.514 0.000 3.439) 4.260 2.436 ( -5.081 0.000 -3.695) 6.283 2.497 ( -1.405 0.000 -3.369) 3.650 2.532 ( -3.652 0.000 -4.037) 5.444 2.567 ( -0.618 0.000 1.947) 2.043 2.642 ( -8.681 0.000 -2.031) 8.915 2.643 ( 4.328 0.000 2.350) 4.924 2.730 ( -0.996 0.000 3.235) 3.385 2.799 ( 1.356 0.000 5.933) 6.086 2.832 ( -5.821 0.000 -1.372) 5.981 2.889 ( 2.230 0.000 -1.008) 2.447 2.929 ( 0.017 0.000 -1.127) 1.127 3.003 ( 0.058 0.000 -6.259) 6.260 3.047 ( -2.245 0.000 -0.298) 2.265 3.107 ( -1.240 0.000 0.555) 1.358 3.131 ( 0.036 0.000 3.935) 3.935 3.230 ( -0.592 0.000 1.213) 1.350 3.237 ( 0.664 0.000 -3.300) 3.366 3.299 ( -0.832 0.000 0.824) 1.171 3.325 ( -1.283 0.000 2.464) 2.778 3.408 ( 1.188 0.000 -1.283) 1.748 3.454 ( -0.480 0.000 -0.257) 0.544 3.515 ( 1.584 0.000 -6.479) 6.669 3.570 ( 6.813 0.000 1.685) 7.019 3.626 ( 1.629 0.000 1.739) 2.383 3.628 ( -0.911 0.000 0.611) 1.097 3.709 ( -1.190 0.000 -0.320) 1.233 3.831 ( 5.641 0.000 -4.641) 7.305 3.833 ( 2.247 0.000 -0.325) 2.271 4.001 ( -1.082 0.000 -1.861) 2.152 4.011 ( 2.822 0.000 -1.691) 3.290 4.098 ( 1.030 0.000 0.204) 1.050 4.171 ( 1.462 0.000 -0.268) 1.486 4.367 ( -7.170 0.000 0.700) 7.204 4.410 ( -4.284 0.000 -1.208) 4.451 4.453 ( -1.818 0.000 2.780) 3.321 4.536 ( 2.964 0.000 3.066) 4.264 4.725 ( -1.288 0.000 0.742) 1.486 4.802 ( 3.119 0.000 3.318) 4.554 4.918 ( -4.214 0.000 1.393) 4.438 4.945 ( 0.495 0.000 0.513) 0.713 5.075 ( 0.038 0.000 -0.192) 0.196 5.092 ( 1.204 0.000 -0.940) 1.528 5.409 ( 3.706 0.000 1.943) 4.184 5.460 ( -3.089 0.000 -4.634) 5.569 5.666 ( 3.275 0.000 2.072) 3.875 5.708 ( 0.932 0.000 -2.637) 2.797 5.949 ( -0.270 0.000 -0.194) 0.332 5.955 ( 0.307 0.000 0.249) 0.395 6.062 ( -1.991 0.000 0.051) 1.992 6.112 ( 0.032 0.000 -0.190) 0.193 6.384 ( -0.807 0.000 0.929) 1.230 6.736 ( 6.778 0.000 -9.176) 11.408 8.042 ( -2.457 0.000 -1.320) 2.789 8.191 ( 3.232 0.000 -1.546) 3.582 8.381 ( -3.349 0.000 2.481) 4.168 8.481 ( -2.104 0.000 1.563) 2.621 8.524 ( -0.401 0.000 -1.983) 2.023 8.565 ( -1.924 0.000 3.674) 4.147 8.608 ( -0.688 0.000 -2.281) 2.382 8.656 ( 2.866 0.000 3.698) 4.679 9.008 ( 0.778 0.000 0.044) 0.779 9.019 ( -0.339 0.000 -0.787) 0.857 ======================= Grid point 72 (36/75) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -0.540 0.000 2.449) 2.508 0.904 ( 4.632 0.000 -0.802) 4.701 1.126 ( 4.853 0.000 0.993) 4.954 1.152 ( -2.083 0.000 4.697) 5.138 1.215 ( -2.448 0.000 6.532) 6.976 1.240 ( -4.017 0.000 -1.421) 4.260 1.403 ( -1.450 0.000 0.052) 1.451 1.452 ( -3.448 0.000 -1.714) 3.850 1.495 ( 1.419 0.000 -0.400) 1.475 1.629 ( -3.053 0.000 -3.270) 4.474 1.638 ( 1.608 0.000 3.354) 3.719 1.744 ( -1.570 0.000 -3.769) 4.083 1.749 ( -1.727 0.000 -3.038) 3.494 1.845 ( -1.125 0.000 2.688) 2.914 1.863 ( 6.666 0.000 2.631) 7.166 1.901 ( 6.637 0.000 5.149) 8.400 2.056 ( -1.899 0.000 -2.143) 2.864 2.110 ( -0.333 0.000 -1.108) 1.157 2.210 ( -2.786 0.000 -2.649) 3.844 2.238 ( 0.525 0.000 4.418) 4.449 2.322 ( -0.840 0.000 0.621) 1.045 2.378 ( -1.774 0.000 2.251) 2.866 2.408 ( -4.704 0.000 -4.777) 6.705 2.411 ( -7.755 0.000 -2.984) 8.309 2.480 ( 1.713 0.000 4.896) 5.186 2.552 ( 0.499 0.000 3.216) 3.254 2.593 ( 1.487 0.000 3.454) 3.760 2.710 ( -1.689 0.000 3.748) 4.111 2.714 ( -3.672 0.000 -0.258) 3.681 2.799 ( 3.703 0.000 5.118) 6.317 2.865 ( -0.141 0.000 4.521) 4.524 2.882 ( -0.923 0.000 -2.972) 3.112 2.927 ( -0.251 0.000 2.679) 2.691 2.977 ( 2.672 0.000 -8.756) 9.155 3.017 ( -0.766 0.000 1.722) 1.885 3.111 ( 0.424 0.000 3.729) 3.753 3.134 ( -1.440 0.000 -0.725) 1.612 3.214 ( 0.090 0.000 -2.790) 2.791 3.215 ( -1.218 0.000 1.094) 1.637 3.294 ( -2.228 0.000 -1.569) 2.725 3.349 ( 3.405 0.000 3.277) 4.726 3.407 ( -0.138 0.000 -0.787) 0.799 3.464 ( 1.400 0.000 0.735) 1.581 3.490 ( 1.493 0.000 -3.513) 3.818 3.633 ( 0.556 0.000 0.165) 0.580 3.654 ( -0.182 0.000 -1.888) 1.897 3.689 ( -1.345 0.000 1.198) 1.801 3.715 ( 6.681 0.000 2.228) 7.043 3.871 ( 4.000 0.000 -5.110) 6.489 3.873 ( 2.129 0.000 0.638) 2.222 3.980 ( -0.561 0.000 1.090) 1.226 4.022 ( 0.201 0.000 -2.197) 2.206 4.103 ( 0.494 0.000 -1.797) 1.864 4.206 ( 3.769 0.000 -2.190) 4.359 4.279 ( -2.680 0.000 0.256) 2.693 4.315 ( -4.553 0.000 -1.410) 4.766 4.463 ( -1.417 0.000 4.734) 4.942 4.587 ( -0.659 0.000 1.674) 1.799 4.730 ( 0.835 0.000 2.015) 2.181 4.850 ( -4.150 0.000 0.025) 4.150 4.891 ( 3.054 0.000 3.749) 4.836 4.921 ( -2.650 0.000 -1.609) 3.100 5.092 ( 1.246 0.000 1.392) 1.868 5.121 ( 2.185 0.000 0.377) 2.218 5.364 ( -2.125 0.000 -5.222) 5.638 5.452 ( 0.322 0.000 -0.108) 0.340 5.679 ( 0.189 0.000 -4.646) 4.650 5.704 ( 0.886 0.000 -1.958) 2.149 5.943 ( -0.185 0.000 -0.249) 0.310 5.955 ( -0.253 0.000 -0.445) 0.512 6.048 ( -0.437 0.000 1.017) 1.107 6.132 ( 1.195 0.000 1.940) 2.278 6.400 ( 0.254 0.000 3.184) 3.194 6.734 ( 2.740 0.000 -7.492) 7.977 8.015 ( -0.162 0.000 0.518) 0.543 8.192 ( -0.875 0.000 -1.484) 1.723 8.382 ( 1.207 0.000 0.633) 1.363 8.398 ( -4.067 0.000 -3.092) 5.108 8.525 ( -0.354 0.000 0.400) 0.534 8.539 ( -0.667 0.000 -3.435) 3.499 8.638 ( 0.925 0.000 5.728) 5.802 8.747 ( 2.066 0.000 4.676) 5.112 9.006 ( -0.344 0.000 -0.472) 0.584 9.017 ( 0.672 0.000 -0.821) 1.061 ======================= Grid point 73 (37/75) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 1.402 0.000 0.674) 1.556 0.937 ( 1.411 0.000 -2.702) 3.048 1.075 ( -7.969 0.000 0.445) 7.981 1.141 ( -4.883 0.000 -3.703) 6.129 1.214 ( 4.575 0.000 2.776) 5.351 1.340 ( 7.557 0.000 4.486) 8.788 1.378 ( -4.439 0.000 5.803) 7.306 1.407 ( -1.982 0.000 1.627) 2.564 1.496 ( 0.699 0.000 -3.294) 3.367 1.546 ( -1.608 0.000 -4.691) 4.959 1.614 ( -5.935 0.000 -4.056) 7.189 1.642 ( -5.579 0.000 -3.571) 6.624 1.744 ( 1.281 0.000 5.327) 5.479 1.864 ( 2.106 0.000 -0.277) 2.124 1.931 ( 1.724 0.000 -4.749) 5.052 2.034 ( -1.515 0.000 4.547) 4.792 2.070 ( 3.626 0.000 5.317) 6.436 2.114 ( 0.673 0.000 -0.533) 0.858 2.159 ( -0.482 0.000 1.523) 1.597 2.215 ( -1.365 0.000 -4.897) 5.084 2.292 ( -1.206 0.000 0.791) 1.442 2.316 ( -0.622 0.000 2.725) 2.795 2.338 ( -2.223 0.000 1.868) 2.904 2.363 ( -1.577 0.000 1.694) 2.314 2.527 ( -0.681 0.000 3.184) 3.256 2.556 ( -0.202 0.000 2.084) 2.094 2.667 ( 0.058 0.000 0.300) 0.306 2.686 ( -4.064 0.000 0.936) 4.170 2.770 ( 4.868 0.000 6.257) 7.927 2.820 ( -0.670 0.000 -1.670) 1.799 2.856 ( -0.088 0.000 -1.463) 1.465 2.919 ( -1.083 0.000 4.992) 5.108 2.937 ( 3.325 0.000 -5.200) 6.172 2.987 ( 0.523 0.000 2.351) 2.409 3.006 ( -0.912 0.000 1.965) 2.166 3.137 ( 1.003 0.000 2.976) 3.140 3.162 ( 1.656 0.000 0.603) 1.763 3.172 ( -0.476 0.000 -2.586) 2.630 3.215 ( -0.363 0.000 1.374) 1.421 3.257 ( 0.117 0.000 -1.788) 1.792 3.401 ( -0.691 0.000 0.595) 0.911 3.401 ( 0.202 0.000 -0.292) 0.355 3.496 ( 1.396 0.000 -0.779) 1.599 3.538 ( 3.907 0.000 3.202) 5.051 3.613 ( -1.663 0.000 -1.748) 2.413 3.638 ( 0.516 0.000 -1.423) 1.514 3.654 ( -0.899 0.000 -0.500) 1.028 3.807 ( 1.323 0.000 0.524) 1.423 3.888 ( 2.938 0.000 -3.870) 4.859 3.904 ( 0.653 0.000 -0.200) 0.684 3.984 ( -1.533 0.000 -1.742) 2.321 3.992 ( 0.409 0.000 0.846) 0.940 4.101 ( 1.475 0.000 -1.406) 2.038 4.230 ( -1.316 0.000 1.667) 2.124 4.266 ( 3.691 0.000 -5.746) 6.829 4.278 ( 1.192 0.000 0.757) 1.412 4.490 ( -1.515 0.000 6.021) 6.208 4.565 ( -1.516 0.000 -0.130) 1.521 4.760 ( -2.122 0.000 2.207) 3.062 4.797 ( -0.929 0.000 1.431) 1.706 4.830 ( -4.742 0.000 -3.240) 5.743 4.970 ( 2.822 0.000 1.879) 3.390 5.141 ( 1.441 0.000 3.600) 3.878 5.165 ( 1.994 0.000 0.872) 2.177 5.294 ( -0.116 0.000 -5.648) 5.649 5.424 ( -1.811 0.000 -2.428) 3.029 5.639 ( 0.730 0.000 -5.042) 5.094 5.664 ( -1.879 0.000 -4.173) 4.577 5.938 ( 0.026 0.000 -0.562) 0.563 5.940 ( -0.657 0.000 -0.877) 1.096 6.066 ( 0.471 0.000 2.767) 2.806 6.180 ( 1.462 0.000 2.501) 2.897 6.438 ( -0.376 0.000 4.071) 4.089 6.698 ( 0.508 0.000 -5.523) 5.546 8.047 ( 2.029 0.000 2.557) 3.265 8.168 ( 0.363 0.000 -1.843) 1.878 8.310 ( -1.941 0.000 -4.026) 4.469 8.363 ( -2.935 0.000 -2.454) 3.825 8.509 ( -1.577 0.000 -0.357) 1.617 8.536 ( 3.654 0.000 -2.549) 4.455 8.713 ( 0.857 0.000 6.961) 7.014 8.802 ( -0.841 0.000 4.307) 4.388 9.002 ( 0.248 0.000 -0.087) 0.263 9.018 ( 0.568 0.000 -1.071) 1.212 ======================= Grid point 74 (38/75) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -7.258 0.000 -0.060) 7.258 0.868 ( -10.283 0.000 0.774) 10.312 0.999 ( -0.999 0.000 4.962) 5.062 1.023 ( -0.191 0.000 -8.357) 8.359 1.284 ( -5.593 0.000 2.577) 6.158 1.354 ( -4.455 0.000 -3.917) 5.932 1.378 ( -0.510 0.000 7.063) 7.081 1.433 ( 2.067 0.000 -4.141) 4.628 1.439 ( -2.034 0.000 2.989) 3.616 1.508 ( -3.474 0.000 1.596) 3.823 1.565 ( 4.183 0.000 -3.813) 5.660 1.585 ( 3.119 0.000 2.980) 4.314 1.741 ( -5.147 0.000 0.544) 5.176 1.886 ( 0.365 0.000 -4.978) 4.991 1.900 ( 2.483 0.000 -0.833) 2.619 2.075 ( -2.192 0.000 8.670) 8.942 2.077 ( -1.637 0.000 -2.392) 2.899 2.118 ( 0.410 0.000 -0.260) 0.485 2.171 ( -0.907 0.000 4.737) 4.823 2.198 ( 3.138 0.000 -1.354) 3.418 2.325 ( -1.192 0.000 2.505) 2.775 2.329 ( -1.337 0.000 2.118) 2.504 2.363 ( 1.735 0.000 3.500) 3.906 2.461 ( 8.915 0.000 5.111) 10.276 2.532 ( -1.112 0.000 1.300) 1.711 2.604 ( 1.873 0.000 1.674) 2.512 2.619 ( -2.343 0.000 -0.647) 2.430 2.651 ( -0.745 0.000 -2.434) 2.546 2.787 ( -0.977 0.000 -1.550) 1.832 2.822 ( 1.103 0.000 -3.268) 3.449 2.833 ( 2.741 0.000 -1.761) 3.258 2.901 ( -4.237 0.000 -3.921) 5.773 2.918 ( -2.798 0.000 0.476) 2.838 3.058 ( 4.596 0.000 8.236) 9.432 3.067 ( 0.346 0.000 4.345) 4.359 3.152 ( 1.814 0.000 -3.790) 4.201 3.182 ( 0.427 0.000 2.693) 2.726 3.207 ( 1.217 0.000 2.696) 2.958 3.225 ( -0.069 0.000 0.997) 1.000 3.262 ( 3.038 0.000 -2.152) 3.723 3.362 ( -3.005 0.000 -0.142) 3.009 3.401 ( -0.246 0.000 -0.220) 0.331 3.516 ( 1.054 0.000 0.025) 1.054 3.549 ( -0.844 0.000 -2.095) 2.259 3.607 ( -0.968 0.000 3.779) 3.901 3.623 ( 0.193 0.000 -2.961) 2.967 3.716 ( 4.565 0.000 1.092) 4.694 3.752 ( -5.718 0.000 -2.121) 6.099 3.873 ( -1.226 0.000 -4.480) 4.645 3.889 ( 2.124 0.000 -5.072) 5.498 3.984 ( 1.054 0.000 2.593) 2.799 4.009 ( 0.596 0.000 1.040) 1.199 4.115 ( 1.294 0.000 -1.728) 2.159 4.231 ( -0.906 0.000 0.813) 1.217 4.279 ( 3.490 0.000 -4.907) 6.022 4.318 ( 2.357 0.000 0.935) 2.536 4.525 ( -1.599 0.000 6.851) 7.035 4.564 ( 1.389 0.000 1.024) 1.726 4.716 ( -3.386 0.000 1.068) 3.550 4.718 ( -3.612 0.000 -3.781) 5.229 4.824 ( -0.168 0.000 3.952) 3.956 5.018 ( 2.027 0.000 -1.091) 2.302 5.190 ( -0.690 0.000 2.794) 2.878 5.197 ( 0.821 0.000 0.134) 0.832 5.255 ( 1.983 0.000 -3.590) 4.102 5.357 ( -2.275 0.000 -3.676) 4.323 5.573 ( -3.826 0.000 -3.722) 5.337 5.611 ( 0.793 0.000 -3.512) 3.600 5.920 ( -0.640 0.000 -0.739) 0.977 5.935 ( 0.350 0.000 -0.670) 0.755 6.113 ( 0.843 0.000 4.380) 4.461 6.218 ( 0.740 0.000 1.146) 1.364 6.458 ( -1.429 0.000 3.393) 3.682 6.646 ( -1.306 0.000 -4.084) 4.288 8.126 ( 3.163 0.000 4.012) 5.108 8.174 ( 2.148 0.000 -1.483) 2.610 8.261 ( 0.893 0.000 -4.053) 4.150 8.268 ( -3.805 0.000 -3.778) 5.362 8.467 ( -2.307 0.000 -1.007) 2.517 8.583 ( 3.755 0.000 -1.934) 4.223 8.804 ( -2.626 0.000 3.034) 4.013 8.805 ( 2.014 0.000 7.214) 7.490 9.010 ( 0.662 0.000 -0.197) 0.691 9.014 ( -0.188 0.000 -0.603) 0.631 ======================= Grid point 75 (39/75) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -11.568 0.000 6.224) 13.136 0.646 ( -14.357 0.000 3.464) 14.769 0.972 ( -4.725 0.000 5.992) 7.631 1.077 ( 1.661 0.000 5.707) 5.944 1.179 ( -6.603 0.000 3.195) 7.335 1.206 ( -5.608 0.000 -4.464) 7.168 1.375 ( -3.779 0.000 5.334) 6.537 1.436 ( 0.661 0.000 -0.511) 0.835 1.495 ( 0.784 0.000 1.527) 1.717 1.524 ( -0.081 0.000 3.035) 3.036 1.618 ( 3.474 0.000 -2.313) 4.173 1.635 ( 1.653 0.000 -2.653) 3.126 1.677 ( 3.750 0.000 -2.881) 4.729 1.857 ( -0.769 0.000 -2.466) 2.583 1.917 ( 0.026 0.000 0.362) 0.363 2.021 ( -1.504 0.000 -4.432) 4.680 2.103 ( -3.467 0.000 7.885) 8.614 2.113 ( 0.772 0.000 -0.741) 1.071 2.222 ( -0.299 0.000 -1.548) 1.576 2.256 ( 3.892 0.000 4.311) 5.808 2.318 ( -1.261 0.000 3.422) 3.647 2.347 ( -0.928 0.000 1.581) 1.834 2.416 ( 1.999 0.000 0.893) 2.189 2.519 ( -3.149 0.000 -6.992) 7.668 2.531 ( 0.175 0.000 2.478) 2.484 2.613 ( 0.907 0.000 0.380) 0.983 2.644 ( 6.673 0.000 2.787) 7.232 2.699 ( 2.245 0.000 1.061) 2.483 2.766 ( -1.189 0.000 -1.544) 1.949 2.787 ( -1.153 0.000 -4.564) 4.707 2.838 ( 2.510 0.000 0.512) 2.562 2.882 ( -0.311 0.000 -1.226) 1.265 2.918 ( 5.460 0.000 3.090) 6.273 3.101 ( -1.294 0.000 3.009) 3.276 3.116 ( -0.419 0.000 -4.101) 4.123 3.163 ( 1.079 0.000 0.815) 1.352 3.172 ( -2.125 0.000 -1.643) 2.686 3.230 ( -0.337 0.000 -0.008) 0.337 3.252 ( -0.267 0.000 3.134) 3.145 3.316 ( -2.345 0.000 1.090) 2.586 3.331 ( 5.549 0.000 -1.746) 5.817 3.385 ( -1.784 0.000 1.087) 2.089 3.520 ( -0.314 0.000 -1.543) 1.575 3.525 ( -0.125 0.000 -0.474) 0.490 3.592 ( 0.526 0.000 -4.387) 4.418 3.622 ( -5.639 0.000 -1.056) 5.737 3.627 ( -1.841 0.000 4.782) 5.124 3.760 ( -0.017 0.000 -0.126) 0.127 3.821 ( 0.405 0.000 -3.962) 3.983 3.870 ( 0.988 0.000 -4.573) 4.678 4.028 ( 0.733 0.000 0.006) 0.733 4.032 ( 1.040 0.000 2.028) 2.279 4.105 ( 0.279 0.000 -2.573) 2.588 4.194 ( -1.832 0.000 -2.716) 3.276 4.294 ( 2.135 0.000 -1.928) 2.877 4.381 ( 4.018 0.000 1.326) 4.231 4.564 ( -1.755 0.000 7.219) 7.429 4.612 ( 0.763 0.000 1.419) 1.610 4.650 ( -0.549 0.000 -2.957) 3.008 4.683 ( -1.263 0.000 2.738) 3.015 4.871 ( 0.650 0.000 5.670) 5.707 4.999 ( -0.791 0.000 -6.224) 6.274 5.157 ( -2.255 0.000 -0.895) 2.426 5.189 ( -0.882 0.000 -1.649) 1.870 5.281 ( -2.546 0.000 -3.609) 4.417 5.323 ( 4.350 0.000 4.634) 6.356 5.491 ( -1.973 0.000 -0.978) 2.203 5.599 ( 0.328 0.000 -0.937) 0.992 5.910 ( -0.053 0.000 0.080) 0.096 5.939 ( 0.688 0.000 -0.304) 0.752 6.174 ( 1.409 0.000 4.013) 4.254 6.222 ( -0.360 0.000 -1.204) 1.257 6.455 ( -1.981 0.000 2.264) 3.008 6.575 ( -3.141 0.000 -2.373) 3.937 8.168 ( -1.790 0.000 -3.797) 4.198 8.211 ( 2.515 0.000 1.034) 2.719 8.222 ( 2.732 0.000 0.203) 2.740 8.267 ( 2.285 0.000 0.214) 2.295 8.422 ( -0.872 0.000 -1.444) 1.687 8.623 ( 2.953 0.000 -1.893) 3.508 8.777 ( -3.234 0.000 2.027) 3.817 8.907 ( 2.516 0.000 3.635) 4.421 9.000 ( -0.975 0.000 -0.146) 0.986 9.019 ( 0.984 0.000 -0.574) 1.140 ======================= Grid point 76 (40/75) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -5.249 0.000 14.013) 14.964 0.566 ( -4.739 0.000 13.149) 13.977 1.014 ( -5.673 0.000 23.968) 24.631 1.044 ( -10.397 0.000 6.614) 12.322 1.153 ( 3.662 0.000 -2.711) 4.556 1.187 ( 3.619 0.000 -0.507) 3.655 1.341 ( -4.508 0.000 1.361) 4.709 1.477 ( 4.247 0.000 0.102) 4.248 1.487 ( -4.039 0.000 3.833) 5.568 1.535 ( 2.229 0.000 2.769) 3.554 1.626 ( 2.035 0.000 -5.271) 5.650 1.646 ( -0.927 0.000 0.304) 0.975 1.737 ( 5.347 0.000 -5.889) 7.954 1.800 ( -2.355 0.000 -3.158) 3.940 1.932 ( -2.537 0.000 -6.127) 6.631 1.936 ( -0.286 0.000 2.067) 2.087 2.123 ( -1.194 0.000 5.757) 5.880 2.131 ( 1.163 0.000 -1.631) 2.003 2.173 ( -2.918 0.000 -0.899) 3.053 2.250 ( -2.403 0.000 0.209) 2.412 2.278 ( -2.852 0.000 -4.210) 5.085 2.438 ( -2.011 0.000 0.614) 2.102 2.446 ( 1.407 0.000 -3.356) 3.639 2.453 ( 5.321 0.000 7.376) 9.095 2.565 ( -0.284 0.000 3.997) 4.007 2.660 ( 2.568 0.000 3.348) 4.219 2.706 ( 0.816 0.000 -1.536) 1.739 2.710 ( -1.429 0.000 -1.704) 2.224 2.725 ( -0.753 0.000 0.723) 1.043 2.764 ( -0.126 0.000 -5.484) 5.486 2.895 ( 2.216 0.000 0.438) 2.258 2.911 ( 2.147 0.000 0.256) 2.162 2.991 ( 0.628 0.000 1.136) 1.298 3.057 ( -2.282 0.000 -4.158) 4.743 3.086 ( 1.293 0.000 -2.434) 2.756 3.132 ( -0.394 0.000 1.694) 1.739 3.154 ( -0.237 0.000 -3.657) 3.664 3.203 ( -2.253 0.000 -0.166) 2.259 3.235 ( -1.711 0.000 -1.739) 2.439 3.311 ( -0.850 0.000 2.752) 2.881 3.347 ( -1.743 0.000 2.889) 3.374 3.381 ( -0.698 0.000 0.989) 1.211 3.460 ( -2.705 0.000 -3.497) 4.422 3.516 ( 0.419 0.000 -0.314) 0.523 3.570 ( 2.143 0.000 -5.252) 5.672 3.624 ( -3.760 0.000 4.616) 5.953 3.636 ( 3.198 0.000 3.344) 4.627 3.734 ( -1.876 0.000 -0.384) 1.915 3.801 ( 1.125 0.000 -4.005) 4.160 3.835 ( 0.033 0.000 -4.202) 4.202 4.026 ( -2.266 0.000 -1.386) 2.656 4.035 ( 1.263 0.000 -1.365) 1.859 4.086 ( -0.362 0.000 -1.564) 1.606 4.152 ( -0.452 0.000 -0.353) 0.573 4.331 ( 3.555 0.000 0.065) 3.555 4.458 ( 2.685 0.000 -0.576) 2.746 4.581 ( -4.672 0.000 6.081) 7.668 4.586 ( -2.582 0.000 -1.009) 2.772 4.651 ( 3.043 0.000 -0.413) 3.071 4.723 ( -0.060 0.000 4.260) 4.260 4.904 ( -2.386 0.000 -3.165) 3.963 4.946 ( 0.284 0.000 6.072) 6.079 5.119 ( -1.819 0.000 0.003) 1.819 5.147 ( -1.098 0.000 -3.091) 3.280 5.223 ( 0.157 0.000 -0.820) 0.835 5.474 ( 7.406 0.000 2.561) 7.837 5.498 ( 1.663 0.000 2.125) 2.698 5.610 ( 1.158 0.000 1.322) 1.757 5.920 ( 0.611 0.000 0.843) 1.041 5.949 ( 0.573 0.000 -0.103) 0.582 6.186 ( -1.254 0.000 -2.877) 3.139 6.206 ( -1.224 0.000 -0.892) 1.514 6.435 ( -2.113 0.000 1.054) 2.361 6.542 ( 2.947 0.000 0.070) 2.948 8.123 ( 0.786 0.000 -2.981) 3.083 8.198 ( -2.070 0.000 -2.987) 3.634 8.291 ( 3.411 0.000 2.320) 4.125 8.343 ( 2.764 0.000 4.777) 5.519 8.437 ( 3.969 0.000 -1.144) 4.131 8.645 ( 1.781 0.000 -2.181) 2.815 8.728 ( -4.250 0.000 1.009) 4.368 8.888 ( -5.785 0.000 -4.169) 7.131 8.986 ( -0.476 0.000 0.413) 0.630 9.033 ( 0.720 0.000 -0.781) 1.062 ======================= Grid point 77 (41/75) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 1.237 0.171 10.052) 10.129 0.699 ( -3.000 -0.012 11.055) 11.455 0.956 ( -7.717 2.416 9.313) 12.334 1.093 ( -1.405 -6.835 4.322) 8.208 1.203 ( 1.552 0.601 1.694) 2.375 1.241 ( 3.853 -3.576 0.092) 5.258 1.361 ( 0.117 0.577 3.889) 3.933 1.404 ( 1.508 -2.670 1.060) 3.245 1.485 ( 0.722 -2.502 4.392) 5.106 1.584 ( 2.058 1.677 4.171) 4.944 1.593 ( -2.131 -3.761 -1.308) 4.516 1.692 ( 0.286 -0.102 -0.261) 0.400 1.707 ( 5.343 -0.029 2.852) 6.057 1.767 ( -1.512 -1.039 -1.526) 2.386 1.857 ( -2.313 2.010 -2.473) 3.938 1.925 ( -2.111 3.522 -3.412) 5.338 2.058 ( 0.617 0.756 -2.535) 2.716 2.137 ( -0.587 3.367 -2.702) 4.357 2.169 ( -2.386 1.719 5.253) 6.020 2.254 ( 2.453 -2.762 2.500) 4.461 2.315 ( -0.453 -3.461 3.884) 5.222 2.352 ( -1.726 -0.652 1.357) 2.290 2.496 ( 3.468 -2.172 2.091) 4.595 2.535 ( -1.219 -1.599 0.487) 2.069 2.546 ( 0.608 -1.196 0.828) 1.577 2.590 ( -2.080 1.480 -5.498) 6.062 2.676 ( 0.732 -0.847 -1.556) 1.916 2.694 ( -0.703 1.636 -3.571) 3.990 2.744 ( -3.317 2.500 0.794) 4.229 2.829 ( -1.262 3.377 0.141) 3.608 2.900 ( -5.705 3.331 -0.510) 6.627 2.933 ( 0.058 -1.263 -2.920) 3.182 2.999 ( -1.603 1.039 -2.064) 2.812 3.009 ( 1.800 -0.165 3.748) 4.161 3.059 ( 1.361 -0.837 0.030) 1.598 3.112 ( -1.666 -0.297 -2.840) 3.306 3.173 ( -1.743 3.516 -0.693) 3.985 3.231 ( 1.632 2.631 0.752) 3.186 3.248 ( 2.651 2.231 -2.380) 4.203 3.318 ( -1.589 0.478 0.377) 1.702 3.340 ( -2.719 -0.062 1.134) 2.947 3.367 ( 3.342 -4.957 0.351) 5.989 3.397 ( 1.676 -1.259 -2.690) 3.410 3.454 ( -2.924 -3.609 -0.879) 4.728 3.576 ( 0.047 0.679 -0.048) 0.682 3.619 ( -0.305 2.398 -3.290) 4.083 3.647 ( -0.698 -0.678 -0.103) 0.979 3.737 ( 0.612 -0.193 -3.703) 3.758 3.816 ( 2.109 1.158 -2.528) 3.490 3.816 ( 3.258 1.039 -2.361) 4.155 3.993 ( -1.931 0.867 -0.206) 2.127 4.038 ( 1.554 -0.219 -2.891) 3.290 4.079 ( -0.488 0.415 0.203) 0.672 4.139 ( -0.809 -1.670 -0.212) 1.868 4.404 ( 1.379 0.428 3.981) 4.234 4.457 ( -0.041 -0.392 3.196) 3.220 4.513 ( -5.018 1.004 1.351) 5.293 4.541 ( -3.725 0.853 -0.218) 3.828 4.728 ( 3.021 1.165 1.851) 3.730 4.772 ( -0.992 2.230 1.438) 2.833 4.873 ( 0.454 -2.315 0.836) 2.503 4.932 ( -3.545 -2.524 2.010) 4.794 5.119 ( 0.210 2.843 -0.497) 2.893 5.155 ( -0.285 3.501 -1.242) 3.726 5.292 ( 5.572 -0.200 2.501) 6.111 5.468 ( 1.506 -5.496 -0.741) 5.747 5.580 ( 2.547 0.413 2.921) 3.898 5.638 ( 3.006 -2.663 2.287) 4.621 5.960 ( 0.430 1.548 0.080) 1.608 5.978 ( 0.077 1.757 0.053) 1.759 6.101 ( -2.753 -1.546 -1.681) 3.577 6.126 ( -1.650 -1.269 -2.147) 2.990 6.425 ( -1.398 1.897 -0.048) 2.357 6.584 ( 6.177 -5.261 -2.898) 8.616 8.122 ( -0.503 0.792 -2.468) 2.640 8.151 ( 1.873 0.280 -2.764) 3.351 8.392 ( 2.466 1.819 3.291) 4.497 8.462 ( 2.961 1.267 2.183) 3.891 8.500 ( 3.458 -0.171 0.196) 3.468 8.601 ( -0.589 -2.455 -0.734) 2.629 8.679 ( -5.369 1.552 -1.165) 5.709 8.698 ( -8.508 1.127 -1.330) 8.685 8.995 ( 0.396 0.262 0.255) 0.539 9.021 ( 0.126 -0.718 -0.742) 1.040 ======================= Grid point 78 (42/75) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -1.697 -2.702 7.601) 8.243 0.782 ( 1.698 -2.584 6.317) 7.033 1.005 ( 2.794 2.558 8.780) 9.563 1.100 ( -0.848 -3.961 2.149) 4.586 1.226 ( -0.215 -0.801 1.483) 1.699 1.300 ( 2.731 -0.996 0.731) 2.998 1.348 ( -3.033 -5.586 1.484) 6.528 1.379 ( -3.299 -2.532 -1.007) 4.279 1.507 ( -3.449 -7.102 -2.737) 8.356 1.529 ( 1.398 -3.017 -2.258) 4.019 1.649 ( 1.035 0.581 0.553) 1.309 1.729 ( 0.249 -1.996 4.608) 5.028 1.788 ( 3.245 2.504 1.230) 4.280 1.822 ( 2.174 3.007 -0.137) 3.713 1.830 ( 1.035 0.995 -0.861) 1.674 1.881 ( -0.353 3.040 1.648) 3.476 2.088 ( 3.151 3.177 2.326) 5.042 2.118 ( -0.029 3.401 -1.342) 3.656 2.170 ( -2.211 0.822 4.532) 5.109 2.268 ( -2.785 -0.042 3.666) 4.604 2.351 ( 0.301 -3.398 0.456) 3.442 2.393 ( 0.388 -1.589 2.313) 2.833 2.437 ( -3.940 -0.169 -2.583) 4.714 2.512 ( -0.140 1.649 -1.948) 2.556 2.550 ( -0.609 -2.522 1.226) 2.870 2.586 ( -0.174 0.829 -0.778) 1.150 2.604 ( -2.041 3.061 -2.638) 4.527 2.644 ( -2.295 2.193 -1.032) 3.338 2.722 ( -1.939 -2.273 3.343) 4.483 2.810 ( -2.789 2.624 3.665) 5.300 2.845 ( 1.789 -2.010 -2.099) 3.413 2.889 ( -3.067 2.700 -1.392) 4.317 2.976 ( 0.327 0.930 2.141) 2.357 3.016 ( -1.533 0.634 -4.226) 4.540 3.044 ( -2.205 1.006 0.554) 2.486 3.120 ( 1.570 -0.155 2.575) 3.020 3.152 ( -0.506 3.229 -0.908) 3.392 3.231 ( -1.921 1.496 -0.861) 2.582 3.278 ( 1.526 2.217 -1.812) 3.244 3.294 ( -0.574 -0.703 -0.189) 0.927 3.310 ( -0.683 -1.134 0.141) 1.331 3.374 ( -1.204 -3.195 -1.266) 3.642 3.418 ( 0.996 -3.042 -1.156) 3.403 3.460 ( 4.584 -6.584 1.659) 8.193 3.572 ( 1.179 3.776 -4.911) 6.306 3.614 ( 1.739 0.565 0.499) 1.896 3.646 ( 0.950 0.049 2.680) 2.844 3.715 ( -0.467 -0.493 -2.268) 2.367 3.826 ( 3.516 0.546 -3.334) 4.876 3.873 ( 4.681 1.131 -3.730) 6.091 3.967 ( -1.117 -0.091 0.453) 1.208 4.056 ( 3.136 1.645 -2.571) 4.377 4.082 ( 0.078 -1.815 0.623) 1.921 4.132 ( 0.810 -2.377 -0.720) 2.613 4.392 ( -6.035 1.573 1.586) 6.435 4.416 ( -5.072 0.446 0.892) 5.170 4.503 ( -0.249 3.613 2.262) 4.270 4.549 ( 3.325 0.973 3.681) 5.055 4.737 ( -2.667 1.416 -0.022) 3.019 4.796 ( 2.197 0.081 2.877) 3.621 4.879 ( -3.995 -3.252 0.837) 5.219 4.899 ( -0.146 -3.179 1.965) 3.740 5.118 ( -0.199 3.615 -0.027) 3.621 5.155 ( 1.542 3.937 -1.071) 4.362 5.393 ( 3.523 -1.264 1.136) 3.912 5.434 ( -1.724 -2.375 -3.885) 4.869 5.656 ( 2.897 -0.662 1.359) 3.267 5.684 ( 1.403 -1.736 -1.099) 2.488 5.965 ( -0.049 1.364 0.039) 1.365 5.980 ( 0.197 1.882 -0.126) 1.896 6.051 ( -1.707 -0.916 -0.212) 1.949 6.095 ( -0.164 -1.519 -0.613) 1.646 6.411 ( -0.324 2.652 0.650) 2.750 6.644 ( 4.865 -7.067 -5.109) 9.985 8.086 ( -0.030 3.406 -2.325) 4.124 8.194 ( 4.350 -0.358 -2.017) 4.808 8.404 ( -4.241 2.170 1.388) 4.962 8.487 ( -2.623 -0.114 -0.867) 2.765 8.521 ( 0.021 0.211 -0.296) 0.364 8.578 ( -2.300 -0.103 -0.269) 2.318 8.599 ( -0.405 0.314 2.097) 2.159 8.650 ( 1.294 -0.584 3.370) 3.657 9.006 ( 0.701 -0.128 -0.149) 0.728 9.014 ( -0.103 -0.408 -0.734) 0.846 ======================= Grid point 79 (43/75) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.712 -1.008 3.111) 3.347 0.855 ( 2.613 -4.036 1.022) 4.915 1.078 ( 0.382 -0.873 -1.850) 2.081 1.165 ( 2.490 0.706 5.134) 5.750 1.228 ( -3.089 1.149 3.067) 4.502 1.263 ( -3.217 -4.286 -1.300) 5.514 1.335 ( -0.415 -4.956 0.620) 5.012 1.346 ( 0.397 -1.766 2.903) 3.421 1.498 ( 0.736 -6.534 2.811) 7.151 1.528 ( 1.337 -1.083 -2.268) 2.847 1.632 ( -1.940 0.529 -2.035) 2.861 1.764 ( -2.806 0.534 -1.163) 3.084 1.784 ( 1.907 -2.776 3.281) 4.702 1.822 ( 0.107 3.365 -2.711) 4.323 1.900 ( 0.724 -0.588 -1.543) 1.803 1.907 ( 4.288 0.855 2.540) 5.057 2.060 ( -1.276 1.131 -2.359) 2.911 2.130 ( -0.311 1.880 -0.067) 1.907 2.163 ( -3.014 -0.869 0.738) 3.222 2.268 ( -3.414 0.315 2.897) 4.488 2.331 ( -2.781 -2.478 0.981) 3.852 2.345 ( -3.486 0.744 0.504) 3.600 2.428 ( 1.483 -0.141 2.275) 2.719 2.457 ( -4.983 2.708 -3.650) 6.744 2.539 ( 0.769 4.159 0.151) 4.232 2.565 ( 0.393 1.369 2.579) 2.946 2.607 ( 0.305 0.930 1.484) 1.778 2.664 ( 1.385 0.343 2.736) 3.085 2.715 ( -1.908 -1.322 2.461) 3.383 2.840 ( 0.915 -0.505 1.428) 1.770 2.861 ( 1.412 1.962 4.356) 4.982 2.881 ( 0.188 1.583 1.879) 2.464 2.930 ( -2.080 0.165 -4.073) 4.576 3.000 ( 0.654 1.767 1.399) 2.347 3.063 ( 1.702 -1.781 3.463) 4.250 3.101 ( -2.860 3.223 -1.982) 4.743 3.147 ( -0.014 2.371 -0.731) 2.482 3.187 ( -1.584 -0.694 0.140) 1.734 3.257 ( -0.361 0.567 -1.499) 1.643 3.287 ( -1.102 -0.743 -1.762) 2.207 3.345 ( 2.407 -1.037 0.268) 2.634 3.370 ( 2.320 -1.151 1.601) 3.045 3.416 ( 0.049 -4.111 -0.559) 4.149 3.546 ( 1.050 -1.671 -2.045) 2.842 3.549 ( 2.974 -1.413 -0.110) 3.294 3.657 ( 1.776 1.013 1.004) 2.278 3.678 ( -0.873 0.883 -1.402) 1.873 3.723 ( 3.103 -0.307 2.306) 3.878 3.853 ( 3.261 -1.034 -4.411) 5.582 3.886 ( 1.200 -0.827 -2.819) 3.174 3.977 ( 1.131 1.540 0.533) 1.984 4.059 ( -0.983 0.852 0.309) 1.337 4.102 ( 2.230 0.084 -2.320) 3.219 4.156 ( 3.373 -2.432 -2.049) 4.636 4.311 ( -4.191 1.582 1.370) 4.684 4.332 ( -3.882 0.981 -0.224) 4.011 4.535 ( -0.179 5.848 3.439) 6.787 4.610 ( -0.936 2.067 2.059) 3.064 4.713 ( 0.014 -1.499 1.614) 2.203 4.805 ( -4.038 -3.930 0.497) 5.657 4.872 ( 2.763 -1.450 0.842) 3.231 4.896 ( -2.097 -1.291 2.986) 3.871 5.116 ( 0.117 2.667 -0.208) 2.678 5.176 ( 1.224 2.673 -0.123) 2.942 5.365 ( -0.871 0.351 -4.578) 4.673 5.433 ( 0.880 -1.667 -0.623) 1.986 5.666 ( 0.192 -0.831 -3.925) 4.016 5.689 ( 0.744 -1.274 -2.402) 2.819 5.961 ( -0.233 1.508 -0.173) 1.536 5.981 ( 0.160 2.217 -0.335) 2.248 6.036 ( -0.491 -1.035 0.845) 1.423 6.108 ( 1.066 -2.186 1.365) 2.789 6.429 ( 0.451 2.789 2.503) 3.774 6.657 ( 2.231 -6.199 -4.501) 7.979 8.085 ( 1.569 5.711 -0.769) 5.972 8.222 ( 0.448 2.151 -2.338) 3.209 8.364 ( 0.233 -1.690 0.593) 1.806 8.392 ( -4.330 -0.868 -3.404) 5.575 8.517 ( -1.509 -0.587 -1.079) 1.946 8.523 ( -1.180 -1.038 -2.017) 2.557 8.653 ( 0.971 1.389 5.872) 6.112 8.729 ( 1.716 -1.521 4.999) 5.500 9.006 ( -0.082 0.005 -0.513) 0.519 9.014 ( 0.638 -0.277 -0.757) 1.028 ======================= Grid point 80 (44/75) ======================= q-point: (-0.57 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 2.004 -0.988 1.007) 2.451 0.884 ( 1.134 -4.392 -1.647) 4.826 1.009 ( -5.999 -2.148 -0.660) 6.406 1.155 ( -1.968 -4.506 -1.910) 5.275 1.186 ( -3.429 0.398 0.482) 3.485 1.305 ( 0.193 0.047 5.692) 5.695 1.379 ( 4.873 -1.703 1.863) 5.488 1.394 ( 3.617 -4.809 -2.319) 6.449 1.459 ( -4.677 -1.436 -4.774) 6.836 1.509 ( -1.954 2.044 3.860) 4.785 1.604 ( -2.972 -1.599 -2.427) 4.157 1.711 ( -3.829 2.305 0.144) 4.472 1.737 ( -0.406 2.364 -2.244) 3.284 1.872 ( 2.539 0.538 0.429) 2.631 1.883 ( -1.487 -6.711 -0.038) 6.874 1.963 ( 1.505 -2.780 1.619) 3.552 2.090 ( -0.501 1.041 0.572) 1.289 2.122 ( 0.465 0.528 -0.330) 0.777 2.160 ( 2.704 -0.264 6.087) 6.666 2.208 ( -2.474 0.297 1.990) 3.189 2.280 ( -2.237 -1.313 -1.910) 3.221 2.327 ( -0.937 1.336 2.177) 2.721 2.349 ( -3.495 3.810 0.080) 5.171 2.463 ( -1.129 3.331 0.902) 3.631 2.547 ( -1.515 -0.723 -0.777) 1.849 2.571 ( 1.391 0.618 2.260) 2.724 2.673 ( 0.472 1.214 0.436) 1.374 2.704 ( -0.924 2.901 1.268) 3.298 2.728 ( 2.889 -1.160 5.991) 6.752 2.839 ( -0.314 1.087 -1.659) 2.008 2.856 ( 0.137 -0.347 -3.435) 3.455 2.898 ( -0.765 -2.201 3.298) 4.038 2.977 ( 1.616 1.002 5.922) 6.220 3.022 ( -2.161 4.032 -0.379) 4.590 3.044 ( 1.491 4.418 -2.437) 5.262 3.112 ( 0.948 -2.751 0.602) 2.972 3.154 ( 0.581 1.127 2.120) 2.470 3.184 ( 0.947 0.536 1.057) 1.517 3.240 ( -0.104 -0.590 -1.260) 1.395 3.262 ( 0.686 1.012 -1.793) 2.171 3.355 ( -0.376 -2.113 0.091) 2.148 3.391 ( -1.085 -2.751 0.387) 2.982 3.486 ( 3.931 -2.762 3.322) 5.841 3.542 ( 0.891 1.502 -0.444) 1.802 3.596 ( 1.671 -2.247 0.543) 2.853 3.647 ( -1.041 0.287 0.223) 1.102 3.677 ( 0.409 3.615 -2.082) 4.191 3.757 ( -0.530 -1.235 0.024) 1.345 3.865 ( 3.468 -2.270 -4.493) 6.113 3.886 ( 1.550 -2.098 -3.649) 4.486 3.986 ( -0.316 1.656 0.459) 1.747 4.047 ( -1.129 1.240 1.369) 2.165 4.114 ( 1.968 1.215 -1.902) 2.994 4.192 ( 3.406 -2.793 -3.243) 5.469 4.265 ( -2.223 2.422 2.364) 4.049 4.320 ( 1.363 0.930 0.187) 1.660 4.544 ( -2.211 3.978 2.446) 5.167 4.590 ( -1.184 2.643 0.852) 3.019 4.713 ( -3.132 -3.454 0.981) 4.765 4.769 ( -1.234 -2.646 1.432) 3.252 4.851 ( -1.721 1.736 -0.048) 2.444 4.958 ( 2.600 -1.623 2.888) 4.211 5.124 ( 0.503 0.499 1.301) 1.481 5.185 ( -0.086 -0.153 -0.224) 0.285 5.327 ( 1.099 2.797 -4.144) 5.119 5.416 ( -1.006 -0.859 -2.488) 2.818 5.622 ( -0.100 -1.050 -4.846) 4.960 5.646 ( -1.770 -1.492 -4.425) 4.994 5.956 ( -0.006 1.714 -0.317) 1.743 5.978 ( 0.023 2.939 -0.650) 3.010 6.051 ( 0.399 -1.212 2.502) 2.809 6.149 ( 1.483 -2.762 2.071) 3.757 6.461 ( -0.219 2.293 3.231) 3.968 6.641 ( 0.324 -4.701 -3.299) 5.753 8.122 ( 2.207 6.212 1.151) 6.692 8.199 ( 0.758 2.823 -2.322) 3.733 8.296 ( -2.336 -1.319 -4.049) 4.857 8.374 ( -1.172 0.346 -1.112) 1.652 8.469 ( -0.239 -3.227 -2.141) 3.880 8.505 ( 0.323 -2.351 -1.437) 2.774 8.727 ( 0.704 1.110 6.454) 6.586 8.787 ( -0.501 -1.258 4.663) 4.855 9.004 ( 0.263 0.128 -0.255) 0.388 9.014 ( 0.460 -0.292 -0.957) 1.101 ======================= Grid point 81 (45/75) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -5.520 2.022 -1.869) 6.169 0.894 ( 1.024 -1.197 2.913) 3.311 0.918 ( -5.742 -1.756 0.772) 6.054 1.032 ( -3.656 0.559 -4.219) 5.611 1.200 ( 0.599 -9.099 0.480) 9.131 1.277 ( -4.664 -8.107 1.738) 9.513 1.327 ( -5.361 0.237 -2.743) 6.027 1.452 ( 4.153 -1.085 -2.214) 4.830 1.466 ( 1.484 3.104 1.926) 3.943 1.502 ( -3.594 0.061 2.027) 4.126 1.542 ( -0.377 0.795 0.957) 1.300 1.661 ( 0.029 1.932 -0.326) 1.959 1.712 ( -3.636 0.531 -0.250) 3.683 1.835 ( -0.757 -5.396 -0.518) 5.473 1.925 ( 1.275 0.621 1.020) 1.747 2.005 ( 0.197 -2.291 2.735) 3.573 2.065 ( -1.077 -0.288 1.643) 1.986 2.136 ( -0.176 0.393 0.903) 1.001 2.207 ( -3.452 3.210 5.576) 7.301 2.226 ( 1.043 1.182 -0.324) 1.609 2.293 ( 2.375 -2.917 2.087) 4.302 2.345 ( -0.031 1.117 3.707) 3.871 2.381 ( 3.852 1.391 1.936) 4.530 2.458 ( 1.663 -0.345 1.355) 2.173 2.510 ( -1.089 -2.297 -1.703) 3.060 2.602 ( 0.178 -1.123 -0.205) 1.155 2.656 ( -0.809 3.670 0.402) 3.779 2.673 ( -3.013 2.924 -1.977) 4.641 2.799 ( 0.818 -0.643 -0.388) 1.111 2.829 ( 1.527 0.536 -2.413) 2.905 2.853 ( 3.739 2.717 -0.346) 4.635 2.893 ( -2.728 -1.214 -0.375) 3.010 2.986 ( -2.532 5.863 0.649) 6.419 3.036 ( 1.549 -0.625 4.697) 4.985 3.075 ( 2.429 0.859 2.454) 3.558 3.133 ( 2.187 -1.414 -1.815) 3.175 3.193 ( 0.363 0.482 2.223) 2.304 3.217 ( 2.050 -1.364 -0.621) 2.540 3.237 ( 0.800 0.413 0.272) 0.940 3.275 ( 2.065 0.895 -1.126) 2.516 3.319 ( -2.956 -0.016 -0.097) 2.957 3.392 ( -0.354 -2.738 1.980) 3.397 3.528 ( -1.629 -1.151 0.941) 2.205 3.565 ( 0.564 -0.522 1.638) 1.810 3.609 ( -0.705 0.537 0.650) 1.099 3.641 ( -0.019 0.798 0.086) 0.803 3.677 ( -0.655 1.558 -1.908) 2.549 3.739 ( 2.583 0.479 -2.558) 3.667 3.854 ( 0.023 -1.673 -4.309) 4.623 3.870 ( 2.479 -2.691 -5.922) 6.961 4.003 ( 0.821 1.676 2.265) 2.934 4.047 ( -0.405 1.500 1.257) 1.998 4.128 ( 1.409 1.181 -2.030) 2.739 4.212 ( 2.750 -2.996 -3.766) 5.543 4.268 ( -1.125 2.595 2.721) 3.925 4.351 ( 1.887 0.794 -0.069) 2.048 4.535 ( -1.083 1.115 3.122) 3.488 4.591 ( -0.244 1.328 1.203) 1.808 4.667 ( -2.372 -1.492 0.747) 2.900 4.730 ( -3.213 -0.948 -0.095) 3.351 4.857 ( 0.355 3.128 2.799) 4.212 5.008 ( 1.856 -1.512 -1.124) 2.645 5.159 ( 0.784 -1.550 2.098) 2.723 5.179 ( -0.723 -1.010 2.095) 2.436 5.303 ( 0.136 2.719 -4.203) 5.008 5.358 ( -2.046 -0.015 -3.879) 4.385 5.557 ( -3.185 -1.089 -3.636) 4.955 5.580 ( -0.204 -2.204 -3.195) 3.887 5.956 ( 0.285 1.951 -0.171) 1.979 5.969 ( 0.017 3.573 -1.089) 3.735 6.093 ( 0.770 -1.405 3.831) 4.152 6.187 ( 0.983 -2.825 0.996) 3.153 6.477 ( -1.217 1.801 2.696) 3.463 6.606 ( -1.334 -3.305 -2.346) 4.267 8.165 ( 1.951 2.283 0.124) 3.006 8.221 ( 1.546 3.518 -0.394) 3.863 8.246 ( 1.846 0.830 -2.658) 3.341 8.308 ( -2.554 2.848 -3.331) 5.072 8.434 ( -2.274 -2.893 -1.150) 3.855 8.532 ( 3.642 -4.656 -1.604) 6.125 8.800 ( -0.779 -0.074 4.806) 4.869 8.807 ( 0.042 -0.132 4.906) 4.908 9.008 ( 0.485 -0.131 -0.336) 0.604 9.011 ( -0.037 -0.250 -0.567) 0.620 ======================= Grid point 82 (46/75) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -8.573 5.946 4.226) 11.256 0.720 ( -11.950 6.054 2.227) 13.580 0.975 ( 2.987 -1.214 3.062) 4.447 1.053 ( 3.601 -2.097 2.208) 4.716 1.151 ( -5.152 -8.773 0.611) 10.193 1.209 ( -6.067 3.017 4.956) 8.395 1.257 ( -4.857 -8.384 1.574) 9.817 1.423 ( -1.776 1.667 -3.494) 4.259 1.479 ( -1.047 3.446 3.433) 4.975 1.525 ( 2.907 -5.533 1.917) 6.537 1.583 ( 4.207 -0.379 -1.731) 4.565 1.610 ( -3.502 -0.542 -0.234) 3.552 1.708 ( 0.867 0.402 -0.726) 1.200 1.823 ( -1.155 -3.890 0.938) 4.165 1.950 ( 0.940 2.489 0.136) 2.664 1.996 ( 0.292 -0.801 -3.397) 3.502 2.099 ( -0.921 -0.702 5.599) 5.717 2.139 ( -1.532 -0.882 1.875) 2.577 2.194 ( -1.145 2.168 0.569) 2.516 2.255 ( 1.369 0.820 1.972) 2.537 2.296 ( -1.411 -1.355 -0.036) 1.957 2.385 ( -1.163 -0.268 3.683) 3.871 2.426 ( -0.287 1.839 -2.630) 3.222 2.486 ( 2.742 -3.168 0.431) 4.212 2.537 ( -0.638 -4.047 1.086) 4.238 2.580 ( 1.316 0.579 -3.528) 3.810 2.616 ( 1.617 -0.331 0.885) 1.873 2.675 ( 1.398 -0.788 0.180) 1.615 2.799 ( 0.179 2.086 0.045) 2.094 2.854 ( 2.327 4.468 -2.540) 5.641 2.856 ( 1.699 0.697 -0.790) 1.999 2.936 ( -0.128 5.559 1.550) 5.772 2.959 ( 2.733 2.242 0.626) 3.590 3.081 ( -0.410 0.211 1.871) 1.927 3.129 ( 1.084 -0.807 -1.086) 1.734 3.158 ( -2.808 -0.970 -3.502) 4.593 3.164 ( 2.601 -0.033 0.074) 2.602 3.234 ( 1.307 -0.618 -2.546) 2.928 3.259 ( 1.035 0.334 0.093) 1.091 3.295 ( -0.699 0.371 4.266) 4.338 3.328 ( 2.258 -0.552 0.253) 2.339 3.401 ( -0.448 -1.381 1.231) 1.904 3.469 ( -4.422 -1.253 -0.338) 4.608 3.543 ( -3.769 -4.553 -0.889) 5.977 3.611 ( -1.132 3.455 -1.280) 3.854 3.624 ( -0.266 1.201 2.695) 2.962 3.653 ( 2.233 4.843 -3.822) 6.562 3.765 ( 0.867 0.400 -1.747) 1.991 3.817 ( 0.474 -0.676 -3.543) 3.637 3.860 ( 2.071 -1.813 -4.501) 5.276 4.033 ( -0.333 0.897 1.143) 1.490 4.056 ( 0.759 0.986 0.487) 1.336 4.120 ( 0.410 1.395 -2.460) 2.857 4.201 ( 0.077 -0.683 -3.890) 3.950 4.281 ( 0.194 0.903 2.411) 2.582 4.388 ( 2.555 -0.377 0.337) 2.604 4.562 ( -1.250 0.064 5.690) 5.826 4.595 ( -0.213 -1.265 0.303) 1.318 4.661 ( 0.209 0.938 0.857) 1.288 4.685 ( -1.759 -0.037 1.351) 2.218 4.902 ( 0.941 2.549 3.980) 4.819 4.991 ( -0.561 -0.826 -5.027) 5.125 5.160 ( -1.572 0.494 1.177) 2.025 5.198 ( -0.832 0.496 -0.630) 1.155 5.272 ( -3.070 -0.860 -3.909) 5.044 5.285 ( 0.933 -2.652 3.276) 4.317 5.494 ( -1.037 0.427 -0.643) 1.292 5.566 ( 0.430 -2.426 -0.372) 2.492 5.955 ( 0.056 2.458 -0.719) 2.562 5.967 ( 0.565 2.984 -0.257) 3.048 6.142 ( 0.810 -2.135 3.114) 3.862 6.196 ( -0.002 -2.335 -1.126) 2.593 6.473 ( -1.680 1.468 1.745) 2.832 6.552 ( -2.642 -1.837 -1.202) 3.435 8.173 ( -0.864 0.892 -2.647) 2.924 8.222 ( 2.058 -0.498 -0.975) 2.331 8.260 ( 0.919 2.580 -2.803) 3.919 8.314 ( 3.051 5.227 2.594) 6.584 8.393 ( 0.099 -2.249 -1.426) 2.665 8.577 ( 2.999 -4.108 -1.277) 5.244 8.791 ( -2.439 1.208 2.098) 3.437 8.876 ( 0.944 -2.373 3.325) 4.193 9.001 ( -0.589 0.132 -0.171) 0.628 9.015 ( 0.744 -0.377 -0.488) 0.967 ======================= Grid point 83 (47/75) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -5.691 5.392 9.711) 12.480 0.652 ( -4.262 6.981 10.282) 13.139 1.046 ( -6.863 -3.620 6.195) 9.929 1.083 ( -2.901 -4.168 4.001) 6.465 1.116 ( -1.105 2.027 10.356) 10.610 1.160 ( 2.260 -2.141 0.906) 3.242 1.261 ( 2.108 2.584 4.152) 5.326 1.401 ( 0.970 -4.582 -2.473) 5.296 1.496 ( -3.033 1.623 3.624) 4.997 1.533 ( -0.289 -2.497 1.912) 3.158 1.608 ( 2.003 -3.768 -1.158) 4.422 1.619 ( 3.334 -1.082 -2.609) 4.369 1.708 ( -0.204 -0.667 -0.394) 0.801 1.808 ( -1.073 -3.057 -0.657) 3.305 1.934 ( -2.538 1.887 -2.040) 3.763 1.981 ( 0.572 3.565 -2.497) 4.390 2.082 ( -0.660 -1.694 -4.192) 4.569 2.128 ( -1.463 -1.128 4.548) 4.909 2.201 ( -1.108 2.891 -1.607) 3.488 2.218 ( -1.660 -2.665 2.081) 3.767 2.334 ( -2.434 3.307 -0.117) 4.108 2.361 ( 0.460 -1.986 1.926) 2.804 2.441 ( 3.123 -1.679 1.401) 3.813 2.470 ( -0.963 -4.449 0.107) 4.554 2.547 ( -0.302 -0.392 2.392) 2.443 2.629 ( 4.724 -2.265 -1.046) 5.343 2.675 ( 0.049 -0.626 -1.793) 1.899 2.687 ( 1.581 0.399 0.460) 1.694 2.786 ( -0.666 3.669 -1.129) 3.896 2.862 ( 0.611 6.435 -2.802) 7.045 2.914 ( 2.332 0.315 -0.089) 2.355 2.931 ( 1.527 2.069 1.846) 3.165 3.009 ( -0.448 0.283 1.450) 1.543 3.037 ( -2.698 0.365 -4.183) 4.991 3.068 ( -1.678 -1.088 -2.601) 3.281 3.156 ( 0.369 -1.100 -1.447) 1.855 3.187 ( 2.080 3.509 -1.206) 4.254 3.223 ( -1.258 1.038 -1.362) 2.125 3.261 ( 0.349 2.444 -2.346) 3.406 3.317 ( -0.132 -0.819 1.641) 1.839 3.334 ( -0.522 -0.090 0.883) 1.030 3.372 ( -3.561 0.321 2.182) 4.188 3.416 ( -0.691 -3.311 -3.196) 4.653 3.495 ( -0.658 -3.305 -0.550) 3.415 3.588 ( -0.593 0.870 -0.891) 1.379 3.640 ( -1.012 1.057 2.172) 2.619 3.655 ( 1.757 3.285 -3.543) 5.141 3.752 ( 0.340 1.509 -0.994) 1.839 3.795 ( 0.681 -0.927 -3.527) 3.710 3.842 ( 0.475 0.093 -3.894) 3.924 4.024 ( -0.727 0.391 -0.311) 0.882 4.055 ( -0.633 0.662 -1.707) 1.938 4.101 ( -0.576 1.298 -1.743) 2.248 4.159 ( -1.152 0.037 -1.271) 1.716 4.328 ( 2.513 0.690 2.730) 3.774 4.435 ( 1.446 -1.981 0.637) 2.534 4.573 ( -4.554 -0.079 5.372) 7.043 4.589 ( -1.694 -0.177 0.917) 1.934 4.666 ( 2.421 1.260 -0.448) 2.766 4.727 ( 2.045 -0.315 3.544) 4.104 4.909 ( -3.033 0.747 -2.798) 4.194 4.950 ( -0.929 -0.011 3.618) 3.736 5.133 ( -0.879 1.582 -1.045) 2.089 5.176 ( -0.974 2.355 -0.230) 2.559 5.210 ( 0.668 -1.070 -0.696) 1.440 5.387 ( 4.271 -6.247 5.087) 9.118 5.514 ( 2.146 0.872 2.147) 3.158 5.582 ( 0.989 -2.003 1.280) 2.575 5.953 ( 0.353 2.239 -0.320) 2.290 5.974 ( 0.334 2.068 -0.007) 2.095 6.156 ( -1.181 -2.643 -1.311) 3.178 6.172 ( -0.905 -2.008 -1.594) 2.719 6.453 ( -1.906 1.391 0.541) 2.421 6.523 ( 1.046 -1.501 0.131) 1.834 8.134 ( 0.123 1.149 -2.622) 2.865 8.199 ( -1.709 -0.668 -3.262) 3.743 8.307 ( 3.701 1.667 1.908) 4.485 8.381 ( 3.369 1.404 1.605) 3.987 8.433 ( 3.814 1.327 0.386) 4.057 8.604 ( 1.365 -3.354 -1.166) 3.804 8.754 ( -3.392 1.964 0.355) 3.935 8.857 ( -4.755 -2.421 -2.122) 5.742 8.992 ( -0.293 0.466 0.123) 0.564 9.023 ( 0.529 -0.792 -0.602) 1.127 ======================= Grid point 84 (48/75) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -4.427 -1.864 6.398) 8.001 0.686 ( -4.427 1.864 6.398) 8.001 0.992 ( -2.577 -1.845 9.522) 10.036 0.992 ( -2.577 1.845 9.522) 10.036 1.202 ( 2.983 -0.661 -0.412) 3.083 1.202 ( 2.983 0.661 -0.412) 3.083 1.353 ( -1.436 -3.594 -0.549) 3.909 1.353 ( -1.436 3.594 -0.549) 3.909 1.507 ( -1.169 -4.267 0.333) 4.437 1.507 ( -1.169 4.267 0.333) 4.437 1.651 ( 1.992 -2.146 0.425) 2.959 1.651 ( 1.992 2.146 0.425) 2.959 1.731 ( 3.192 -2.968 4.524) 6.282 1.731 ( 3.192 2.968 4.524) 6.282 1.930 ( -2.490 -3.439 -2.265) 4.812 1.930 ( -2.490 3.439 -2.265) 4.812 2.133 ( 3.289 -5.583 1.538) 6.660 2.133 ( 3.289 5.583 1.538) 6.660 2.211 ( -2.346 -3.004 4.105) 5.602 2.211 ( -2.346 3.004 4.105) 5.602 2.274 ( -1.439 -5.399 -0.341) 5.598 2.274 ( -1.439 5.399 -0.341) 5.598 2.493 ( 0.988 -1.756 1.562) 2.549 2.493 ( 0.988 1.756 1.562) 2.549 2.577 ( -0.187 -2.425 -0.623) 2.510 2.577 ( -0.187 2.425 -0.623) 2.510 2.694 ( 1.476 -1.122 -4.070) 4.473 2.694 ( 1.476 1.122 -4.070) 4.473 2.831 ( -2.409 -4.387 -2.476) 5.584 2.831 ( -2.409 4.387 -2.476) 5.584 2.909 ( -4.906 -0.913 0.451) 5.010 2.909 ( -4.906 0.913 0.451) 5.010 3.031 ( 0.173 -1.120 2.662) 2.893 3.031 ( 0.173 1.120 2.662) 2.893 3.070 ( 1.655 -3.036 -1.911) 3.951 3.070 ( 1.655 3.036 -1.911) 3.951 3.258 ( -0.830 -2.972 -1.690) 3.518 3.258 ( -0.830 2.972 -1.690) 3.518 3.298 ( 0.820 -2.735 -1.329) 3.150 3.298 ( 0.820 2.735 -1.329) 3.150 3.332 ( -0.311 -1.504 -0.271) 1.559 3.332 ( -0.311 1.504 -0.271) 1.559 3.371 ( -0.039 -1.519 -3.017) 3.378 3.371 ( -0.039 1.519 -3.017) 3.378 3.609 ( -1.675 -2.284 1.970) 3.450 3.609 ( -1.675 2.284 1.970) 3.450 3.695 ( 1.132 -3.314 -5.275) 6.332 3.695 ( 1.132 3.314 -5.275) 6.332 3.831 ( 3.483 -0.025 -3.498) 4.936 3.831 ( 3.483 0.025 -3.498) 4.936 4.021 ( -1.384 -1.350 -0.014) 1.933 4.021 ( -1.384 1.350 -0.014) 1.933 4.098 ( -0.706 -1.621 -1.456) 2.291 4.098 ( -0.706 1.621 -1.456) 2.291 4.433 ( 0.061 -1.695 5.351) 5.613 4.433 ( 0.061 1.695 5.351) 5.613 4.539 ( -3.296 -1.029 0.678) 3.519 4.539 ( -3.296 1.029 0.678) 3.519 4.773 ( 3.008 -2.511 2.304) 4.545 4.773 ( 3.008 2.511 2.304) 4.545 4.870 ( -4.243 -2.616 0.095) 4.985 4.870 ( -4.243 2.616 0.095) 4.985 5.181 ( 1.072 -1.881 -0.318) 2.188 5.181 ( 1.072 1.881 -0.318) 2.188 5.339 ( 3.193 -5.329 1.833) 6.477 5.339 ( 3.193 5.329 1.833) 6.477 5.596 ( 2.465 -1.245 2.528) 3.744 5.596 ( 2.465 1.245 2.528) 3.744 5.992 ( -0.018 -0.921 0.220) 0.947 5.992 ( -0.018 0.921 0.220) 0.947 6.093 ( -1.480 -1.210 -2.204) 2.917 6.093 ( -1.480 1.210 -2.204) 2.917 6.485 ( 0.834 -3.774 -0.634) 3.917 6.485 ( 0.834 3.774 -0.634) 3.917 8.143 ( 1.148 -0.888 -2.712) 3.076 8.143 ( 1.148 0.888 -2.712) 3.076 8.437 ( 3.602 -2.253 1.920) 4.663 8.437 ( 3.602 2.253 1.920) 4.663 8.543 ( 0.567 -2.896 0.323) 2.969 8.543 ( 0.567 2.896 0.323) 2.969 8.704 ( -6.136 -0.568 -1.487) 6.339 8.704 ( -6.136 0.568 -1.487) 6.339 9.005 ( 0.256 -0.678 -0.377) 0.817 9.005 ( 0.256 0.678 -0.377) 0.817 ======================= Grid point 86 (49/75) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.268 -1.697 6.867) 7.079 0.724 ( 0.268 1.697 6.867) 7.079 1.047 ( 1.833 -1.698 5.370) 5.923 1.047 ( 1.833 1.698 5.370) 5.923 1.236 ( -0.027 -2.432 1.392) 2.803 1.236 ( -0.027 2.432 1.392) 2.803 1.315 ( -3.207 -2.979 -0.165) 4.380 1.315 ( -3.207 2.979 -0.165) 4.380 1.464 ( -0.979 -2.626 -1.917) 3.395 1.464 ( -0.979 2.626 -1.917) 3.395 1.677 ( 1.152 -2.065 1.033) 2.581 1.677 ( 1.152 2.065 1.033) 2.581 1.828 ( 3.254 -1.037 0.240) 3.424 1.828 ( 3.254 1.037 0.240) 3.424 1.886 ( -1.389 -2.316 -0.229) 2.710 1.886 ( -1.389 2.316 -0.229) 2.710 2.159 ( -2.003 -1.725 1.279) 2.937 2.159 ( -2.003 1.725 1.279) 2.937 2.242 ( 0.200 -5.634 -0.185) 5.641 2.242 ( 0.200 5.634 -0.185) 5.641 2.297 ( 0.939 -4.812 6.797) 8.381 2.297 ( 0.939 4.812 6.797) 8.381 2.472 ( -1.228 -3.523 -2.291) 4.378 2.472 ( -1.228 3.523 -2.291) 4.378 2.574 ( -0.111 -1.830 0.744) 1.978 2.574 ( -0.111 1.830 0.744) 1.978 2.665 ( -1.616 -2.935 0.879) 3.464 2.665 ( -1.616 2.935 0.879) 3.464 2.763 ( -1.697 -5.498 -3.928) 6.967 2.763 ( -1.697 5.498 -3.928) 6.967 2.877 ( -0.616 -2.982 3.902) 4.950 2.877 ( -0.616 2.982 3.902) 4.950 3.004 ( -2.396 -1.867 -2.186) 3.743 3.004 ( -2.396 1.867 -2.186) 3.743 3.099 ( -0.042 -2.568 1.410) 2.930 3.099 ( -0.042 2.568 1.410) 2.930 3.229 ( -0.836 -4.274 -0.857) 4.439 3.229 ( -0.836 4.274 -0.857) 4.439 3.287 ( -0.054 -2.644 -2.577) 3.693 3.287 ( -0.054 2.644 -2.577) 3.693 3.323 ( -0.093 -1.716 -1.123) 2.053 3.323 ( -0.093 1.716 -1.123) 2.053 3.365 ( 1.923 -2.976 -0.131) 3.546 3.365 ( 1.923 2.976 -0.131) 3.546 3.625 ( 1.140 -1.388 2.435) 3.026 3.625 ( 1.140 1.388 2.435) 3.026 3.674 ( 1.522 -3.283 -4.072) 5.448 3.674 ( 1.522 3.283 -4.072) 5.448 3.854 ( 3.110 -1.893 -4.466) 5.762 3.854 ( 3.110 1.893 -4.466) 5.762 4.014 ( 0.174 -3.407 0.996) 3.554 4.014 ( 0.174 3.407 0.996) 3.554 4.092 ( 1.669 -1.580 -1.580) 2.789 4.092 ( 1.669 1.580 -1.580) 2.789 4.417 ( -5.579 -0.585 1.729) 5.870 4.417 ( -5.579 0.585 1.729) 5.870 4.556 ( 2.680 -0.887 3.825) 4.754 4.556 ( 2.680 0.887 3.825) 4.754 4.793 ( -4.911 -3.389 0.118) 5.968 4.793 ( -4.911 3.389 0.118) 5.968 4.833 ( 1.250 -2.377 2.425) 3.618 4.833 ( 1.250 2.377 2.425) 3.618 5.190 ( 0.076 -1.653 -0.233) 1.671 5.190 ( 0.076 1.653 -0.233) 1.671 5.384 ( 1.947 -1.315 -1.462) 2.768 5.384 ( 1.947 1.315 -1.462) 2.768 5.655 ( 2.107 -0.751 0.322) 2.260 5.655 ( 2.107 0.751 0.322) 2.260 5.996 ( -0.010 -1.100 0.415) 1.176 5.996 ( -0.010 1.100 0.415) 1.176 6.054 ( -0.736 -1.869 -1.209) 2.345 6.054 ( -0.736 1.869 -1.209) 2.345 6.500 ( 1.608 -5.753 -0.841) 6.032 6.500 ( 1.608 5.753 -0.841) 6.032 8.159 ( 3.447 -2.923 -2.470) 5.151 8.159 ( 3.447 2.923 -2.470) 5.151 8.458 ( -3.420 -2.362 -0.743) 4.222 8.458 ( -3.420 2.362 -0.743) 4.222 8.546 ( -0.734 -1.784 -0.650) 2.035 8.546 ( -0.734 1.784 -0.650) 2.035 8.629 ( -0.885 -1.428 3.302) 3.705 8.629 ( -0.885 1.428 3.302) 3.705 9.006 ( 0.382 -0.214 -0.513) 0.675 9.006 ( 0.382 0.214 -0.513) 0.675 ======================= Grid point 88 (50/75) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.095 -2.447 2.910) 3.804 0.775 ( 0.095 2.447 2.910) 3.804 1.122 ( -1.546 -4.870 -1.761) 5.405 1.122 ( -1.546 4.870 -1.761) 5.405 1.218 ( 3.252 -3.260 1.539) 4.855 1.218 ( 3.252 3.260 1.539) 4.855 1.295 ( -2.564 -3.129 4.613) 6.136 1.295 ( -2.564 3.129 4.613) 6.136 1.467 ( 2.346 -2.906 -1.147) 3.907 1.467 ( 2.346 2.906 -1.147) 3.907 1.699 ( -1.526 -3.842 3.866) 5.661 1.699 ( -1.526 3.842 3.866) 5.661 1.811 ( -0.834 -2.658 -2.998) 4.093 1.811 ( -0.834 2.658 -2.998) 4.093 1.905 ( 1.808 -1.134 -2.481) 3.272 1.905 ( 1.808 1.134 -2.481) 3.272 2.106 ( -2.679 -2.704 -0.371) 3.824 2.106 ( -2.679 2.704 -0.371) 3.824 2.220 ( -2.736 -3.677 0.530) 4.614 2.220 ( -2.736 3.677 0.530) 4.614 2.341 ( -0.273 -2.665 3.355) 4.293 2.341 ( -0.273 2.665 3.355) 4.293 2.434 ( -3.024 -3.791 0.274) 4.857 2.434 ( -3.024 3.791 0.274) 4.857 2.587 ( -0.110 -0.199 0.247) 0.336 2.587 ( -0.110 0.199 0.247) 0.336 2.665 ( -0.626 -3.141 1.532) 3.550 2.665 ( -0.626 3.141 1.532) 3.550 2.752 ( 3.003 -5.820 1.401) 6.697 2.752 ( 3.003 5.820 1.401) 6.697 2.914 ( -1.593 -1.633 -0.809) 2.420 2.914 ( -1.593 1.633 -0.809) 2.420 2.957 ( 0.442 -4.334 3.721) 5.730 2.957 ( 0.442 4.334 3.721) 5.730 3.108 ( 0.456 -3.853 0.898) 3.982 3.108 ( 0.456 3.853 0.898) 3.982 3.193 ( -1.461 -2.617 -1.192) 3.226 3.193 ( -1.461 2.617 -1.192) 3.226 3.264 ( -0.285 -4.495 -2.355) 5.083 3.264 ( -0.285 4.495 -2.355) 5.083 3.314 ( -0.652 -1.249 1.109) 1.793 3.314 ( -0.652 1.249 1.109) 1.793 3.424 ( 4.006 -4.162 0.196) 5.780 3.424 ( 4.006 4.162 0.196) 5.780 3.636 ( -0.093 -3.176 -1.345) 3.451 3.636 ( -0.093 3.176 -1.345) 3.451 3.709 ( 3.305 -1.831 1.043) 3.920 3.709 ( 3.305 1.831 1.043) 3.920 3.851 ( 1.574 -1.413 -4.471) 4.946 3.851 ( 1.574 1.413 -4.471) 4.946 4.029 ( 0.062 -2.623 0.863) 2.762 4.029 ( 0.062 2.623 0.863) 2.762 4.120 ( 3.196 -1.340 -2.175) 4.091 4.120 ( 3.196 1.340 -2.175) 4.091 4.337 ( -4.289 -0.621 1.238) 4.507 4.337 ( -4.289 0.621 1.238) 4.507 4.643 ( 2.110 -1.920 3.930) 4.856 4.643 ( 2.110 1.920 3.930) 4.856 4.705 ( -4.949 -3.901 -0.248) 6.307 4.705 ( -4.949 3.901 -0.248) 6.307 4.868 ( 0.399 -1.057 2.416) 2.668 4.868 ( 0.399 1.057 2.416) 2.668 5.179 ( -0.598 -2.291 -0.955) 2.553 5.179 ( -0.598 2.291 -0.955) 2.553 5.391 ( 1.258 -1.975 -2.292) 3.276 5.391 ( 1.258 1.975 -2.292) 3.276 5.663 ( 0.436 -0.765 -3.069) 3.192 5.663 ( 0.436 0.765 -3.069) 3.192 5.997 ( -0.216 -1.588 0.225) 1.619 5.997 ( -0.216 1.588 0.225) 1.619 6.049 ( 0.539 -2.979 0.363) 3.049 6.049 ( 0.539 2.979 0.363) 3.049 6.521 ( 1.192 -5.805 -0.010) 5.926 6.521 ( 1.192 5.805 -0.010) 5.926 8.208 ( 4.597 -4.584 -2.125) 6.831 8.208 ( 4.597 4.584 -2.125) 6.831 8.356 ( -4.931 -1.844 -2.080) 5.661 8.356 ( -4.931 1.844 -2.080) 5.661 8.511 ( -1.935 -0.156 -1.333) 2.355 8.511 ( -1.935 0.156 -1.333) 2.355 8.690 ( 1.143 -1.961 5.592) 6.035 8.690 ( 1.143 1.961 5.592) 6.035 9.008 ( 0.396 -0.206 -0.623) 0.766 9.008 ( 0.396 0.206 -0.623) 0.766 ======================= Grid point 90 (51/75) ======================= q-point: (-0.57 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 1.524 -2.323 0.427) 2.811 0.801 ( 1.524 2.323 0.427) 2.811 1.034 ( -3.590 -4.096 -1.340) 5.609 1.034 ( -3.590 4.096 -1.340) 5.609 1.254 ( -6.180 -3.821 1.274) 7.377 1.254 ( -6.180 3.821 1.274) 7.377 1.332 ( 6.466 -0.945 -1.595) 6.727 1.332 ( 6.466 0.945 -1.595) 6.727 1.484 ( 0.030 -2.746 0.152) 2.750 1.484 ( 0.030 2.746 0.152) 2.750 1.692 ( -3.989 -6.636 4.254) 8.834 1.692 ( -3.989 6.636 4.254) 8.834 1.767 ( -1.337 -0.539 -3.740) 4.008 1.767 ( -1.337 0.539 -3.740) 4.008 1.901 ( 1.830 -2.565 -0.375) 3.173 1.901 ( 1.830 2.565 -0.375) 3.173 2.117 ( 2.607 -1.533 2.315) 3.808 2.117 ( 2.607 1.533 2.315) 3.808 2.172 ( -3.478 -3.846 1.705) 5.458 2.172 ( -3.478 3.846 1.705) 5.458 2.343 ( -1.868 -1.912 0.030) 2.673 2.343 ( -1.868 1.912 0.030) 2.673 2.413 ( -1.456 -4.924 3.426) 6.173 2.413 ( -1.456 4.924 3.426) 6.173 2.556 ( -0.723 -1.729 -2.100) 2.815 2.556 ( -0.723 1.729 -2.100) 2.815 2.710 ( 1.859 -1.247 3.894) 4.492 2.710 ( 1.859 1.247 3.894) 4.492 2.808 ( 1.854 -4.138 -1.442) 4.758 2.808 ( 1.854 4.138 -1.442) 4.758 2.861 ( -2.336 -1.152 0.560) 2.664 2.861 ( -2.336 1.152 0.560) 2.664 3.017 ( 1.055 -3.113 2.286) 4.004 3.017 ( 1.055 3.113 2.286) 4.004 3.124 ( 0.430 -1.093 -0.143) 1.183 3.124 ( 0.430 1.093 -0.143) 1.183 3.178 ( -0.092 -1.654 0.342) 1.692 3.178 ( -0.092 1.654 0.342) 1.692 3.242 ( 0.662 -4.249 -1.329) 4.501 3.242 ( 0.662 4.249 -1.329) 4.501 3.324 ( -0.072 -0.639 1.841) 1.950 3.324 ( -0.072 0.639 1.841) 1.950 3.487 ( 2.271 -2.626 1.316) 3.712 3.487 ( 2.271 2.626 1.316) 3.712 3.630 ( -0.565 -1.749 1.220) 2.206 3.630 ( -0.565 1.749 1.220) 2.206 3.757 ( 1.679 -2.296 -0.806) 2.956 3.757 ( 1.679 2.296 -0.806) 2.956 3.829 ( 2.075 -1.566 -6.126) 6.654 3.829 ( 2.075 1.566 -6.126) 6.654 4.031 ( -0.716 -2.030 1.389) 2.562 4.031 ( -0.716 2.030 1.389) 2.562 4.146 ( 2.399 -1.740 -2.424) 3.828 4.146 ( 2.399 1.740 -2.424) 3.828 4.314 ( -0.350 -1.518 1.847) 2.416 4.314 ( -0.350 1.518 1.847) 2.416 4.618 ( -3.893 -2.924 -0.351) 4.882 4.618 ( -3.893 2.924 -0.351) 4.882 4.693 ( -0.425 -3.841 2.471) 4.587 4.693 ( -0.425 3.841 2.471) 4.587 4.903 ( 0.958 -3.027 2.635) 4.126 4.903 ( 0.958 3.027 2.635) 4.126 5.158 ( -0.617 -1.971 -0.665) 2.169 5.158 ( -0.617 1.971 -0.665) 2.169 5.384 ( 0.620 -2.178 -2.860) 3.648 5.384 ( 0.620 2.178 -2.860) 3.648 5.617 ( -1.250 -0.773 -4.701) 4.926 5.617 ( -1.250 0.773 -4.701) 4.926 5.997 ( 0.005 -1.789 0.272) 1.810 5.997 ( 0.005 1.789 0.272) 1.810 6.074 ( 1.193 -3.814 1.422) 4.242 6.074 ( 1.193 3.814 1.422) 4.242 6.535 ( 0.051 -4.611 0.595) 4.649 6.535 ( 0.051 4.611 0.595) 4.649 8.240 ( -0.024 -3.183 -3.206) 4.518 8.240 ( -0.024 3.183 -3.206) 4.518 8.304 ( 2.304 -5.895 -0.334) 6.338 8.304 ( 2.304 5.895 -0.334) 6.338 8.455 ( -2.539 -1.901 -2.000) 3.749 8.455 ( -2.539 1.901 -2.000) 3.749 8.756 ( 0.177 -1.539 5.514) 5.727 8.756 ( 0.177 1.539 5.514) 5.727 9.008 ( 0.319 -0.280 -0.631) 0.760 9.008 ( 0.319 0.280 -0.631) 0.760 ======================= Grid point 92 (52/75) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 2.827 -1.900 -1.037) 3.560 0.839 ( 2.827 1.900 -1.037) 3.560 0.992 ( -2.020 -7.913 2.067) 8.424 0.992 ( -2.020 7.913 2.067) 8.424 1.108 ( -8.094 -5.920 -3.084) 10.492 1.108 ( -8.094 5.920 -3.084) 10.492 1.374 ( -0.919 -4.017 0.012) 4.121 1.374 ( -0.919 4.017 0.012) 4.121 1.507 ( 2.773 -1.994 0.196) 3.421 1.507 ( 2.773 1.994 0.196) 3.421 1.625 ( -3.866 -6.077 -1.079) 7.283 1.625 ( -3.866 6.077 -1.079) 7.283 1.746 ( -1.358 -2.926 2.274) 3.947 1.746 ( -1.358 2.926 2.274) 3.947 1.944 ( 1.490 -1.844 2.097) 3.165 1.944 ( 1.490 1.844 2.097) 3.165 2.119 ( -2.748 -3.161 1.561) 4.470 2.119 ( -2.748 3.161 1.561) 4.470 2.217 ( 1.851 -1.227 4.921) 5.399 2.217 ( 1.851 1.227 4.921) 5.399 2.338 ( -0.725 -4.684 0.290) 4.749 2.338 ( -0.725 4.684 0.290) 4.749 2.400 ( 1.244 -3.043 0.951) 3.422 2.400 ( 1.244 3.043 0.951) 3.422 2.543 ( -0.091 -3.951 -1.680) 4.295 2.543 ( -0.091 3.951 -1.680) 4.295 2.717 ( -3.978 -0.720 -1.809) 4.429 2.717 ( -3.978 0.720 -1.809) 4.429 2.810 ( 1.393 -1.769 1.301) 2.600 2.810 ( 1.393 1.769 1.301) 2.600 2.881 ( 3.428 -0.558 0.258) 3.483 2.881 ( 3.428 0.558 0.258) 3.483 3.054 ( 1.747 -1.883 1.492) 2.970 3.054 ( 1.747 1.883 1.492) 2.970 3.117 ( -0.312 -2.742 -0.683) 2.843 3.117 ( -0.312 2.742 -0.683) 2.843 3.178 ( -0.246 -0.627 -0.118) 0.684 3.178 ( -0.246 0.627 -0.118) 0.684 3.257 ( 2.141 -1.863 -1.579) 3.248 3.257 ( 2.141 1.863 -1.579) 3.248 3.342 ( -0.743 -1.522 3.483) 3.873 3.342 ( -0.743 1.522 3.483) 3.873 3.513 ( -1.958 -1.844 1.956) 3.325 3.513 ( -1.958 1.844 1.956) 3.325 3.640 ( 0.261 -1.178 1.758) 2.132 3.640 ( 0.261 1.178 1.758) 2.132 3.767 ( 2.349 -2.508 -3.081) 4.615 3.767 ( 2.349 2.508 -3.081) 4.615 3.805 ( 1.911 -0.807 -6.336) 6.667 3.805 ( 1.911 0.807 -6.336) 6.667 4.042 ( -0.044 -1.557 1.967) 2.509 4.042 ( -0.044 1.557 1.967) 2.509 4.160 ( 1.871 -1.842 -2.569) 3.673 4.160 ( 1.871 1.842 -2.569) 3.673 4.332 ( 0.045 -2.483 1.502) 2.903 4.332 ( 0.045 2.483 1.502) 2.903 4.571 ( -1.530 -2.074 0.502) 2.625 4.571 ( -1.530 2.074 0.502) 2.625 4.691 ( -1.791 -2.404 1.797) 3.495 4.691 ( -1.791 2.404 1.797) 3.495 4.942 ( 1.187 -4.256 1.031) 4.537 4.942 ( 1.187 4.256 1.031) 4.537 5.155 ( -0.317 -0.883 2.105) 2.305 5.155 ( -0.317 0.883 2.105) 2.305 5.347 ( -1.410 -1.252 -4.356) 4.747 5.347 ( -1.410 1.252 -4.356) 4.747 5.547 ( -1.687 -0.528 -3.255) 3.705 5.547 ( -1.687 0.528 -3.255) 3.705 6.000 ( -0.028 -1.544 0.164) 1.552 6.000 ( -0.028 1.544 0.164) 1.552 6.111 ( 1.308 -3.642 1.397) 4.114 6.111 ( 1.308 3.642 1.397) 4.114 6.532 ( -1.162 -3.260 0.640) 3.520 6.532 ( -1.162 3.260 0.640) 3.520 8.207 ( 0.423 -1.716 -2.504) 3.065 8.207 ( 0.423 1.716 -2.504) 3.065 8.353 ( 0.708 -4.269 -0.810) 4.403 8.353 ( 0.708 4.269 -0.810) 4.403 8.405 ( 1.043 -6.109 -1.550) 6.388 8.405 ( 1.043 6.109 -1.550) 6.388 8.802 ( -0.416 -0.249 4.628) 4.653 8.802 ( -0.416 0.249 4.628) 4.653 9.007 ( 0.211 -0.074 -0.498) 0.546 9.007 ( 0.211 0.074 -0.498) 0.546 ======================= Grid point 94 (53/75) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -3.314 -4.826 -0.075) 5.855 0.843 ( -3.314 4.826 -0.075) 5.855 0.935 ( -5.250 -4.949 2.352) 7.588 0.935 ( -5.250 4.949 2.352) 7.588 1.053 ( 2.852 -4.351 2.019) 5.581 1.053 ( 2.852 4.351 2.019) 5.581 1.357 ( -1.611 -7.718 3.201) 8.509 1.357 ( -1.611 7.718 3.201) 8.509 1.513 ( -0.288 -3.353 -2.678) 4.301 1.513 ( -0.288 3.353 -2.678) 4.301 1.599 ( -1.224 -2.615 1.462) 3.237 1.599 ( -1.224 2.615 1.462) 3.237 1.724 ( -2.712 -3.377 2.177) 4.847 1.724 ( -2.712 3.377 2.177) 4.847 1.984 ( 2.148 -1.117 -0.240) 2.432 1.984 ( 2.148 1.117 -0.240) 2.432 2.106 ( -2.105 -2.050 2.614) 3.933 2.106 ( -2.105 2.050 2.614) 3.933 2.257 ( -0.843 -1.223 -0.622) 1.610 2.257 ( -0.843 1.223 -0.622) 1.610 2.316 ( 0.258 -4.198 4.038) 5.831 2.316 ( 0.258 4.198 4.038) 5.831 2.443 ( -3.156 -1.762 -1.208) 3.811 2.443 ( -3.156 1.762 -1.208) 3.811 2.532 ( 4.414 -3.133 -1.968) 5.759 2.532 ( 4.414 3.133 -1.968) 5.759 2.652 ( -0.720 -1.727 0.138) 1.877 2.652 ( -0.720 1.727 0.138) 1.877 2.843 ( 1.277 -1.499 0.825) 2.135 2.843 ( 1.277 1.499 0.825) 2.135 2.948 ( 3.330 -3.509 -1.281) 5.005 2.948 ( 3.330 3.509 -1.281) 5.005 3.066 ( -0.750 -5.001 0.315) 5.067 3.066 ( -0.750 5.001 0.315) 5.067 3.119 ( -0.541 -2.362 -1.850) 3.049 3.119 ( -0.541 2.362 -1.850) 3.049 3.183 ( 3.452 -2.007 -1.376) 4.224 3.183 ( 3.452 2.007 -1.376) 4.224 3.285 ( 1.744 -1.391 0.228) 2.242 3.285 ( 1.744 1.391 0.228) 2.242 3.360 ( -1.101 -2.543 3.035) 4.110 3.360 ( -1.101 2.543 3.035) 4.110 3.459 ( -4.475 -2.032 0.454) 4.935 3.459 ( -4.475 2.032 0.454) 4.935 3.653 ( -0.570 -0.371 0.017) 0.680 3.653 ( -0.570 0.371 0.017) 0.680 3.767 ( 2.540 -3.926 -6.838) 8.284 3.767 ( 2.540 3.926 -6.838) 8.284 3.797 ( 1.818 -1.924 -1.284) 2.942 3.797 ( 1.818 1.924 -1.284) 2.942 4.057 ( -0.310 -0.876 1.239) 1.549 4.057 ( -0.310 0.876 1.239) 1.549 4.158 ( 0.999 -2.261 -3.041) 3.919 4.158 ( 0.999 2.261 -3.041) 3.919 4.344 ( -0.125 -3.482 2.015) 4.025 4.344 ( -0.125 3.482 2.015) 4.025 4.572 ( -0.345 -0.807 2.476) 2.628 4.572 ( -0.345 0.807 2.476) 2.628 4.678 ( -0.971 -0.593 1.218) 1.667 4.678 ( -0.971 0.593 1.218) 1.667 4.959 ( 0.371 -2.335 -0.568) 2.431 4.959 ( 0.371 2.335 -0.568) 2.431 5.184 ( -0.226 -1.617 3.982) 4.304 5.184 ( -0.226 1.617 3.982) 4.304 5.257 ( -3.329 -0.503 -3.585) 4.918 5.257 ( -3.329 0.503 -3.585) 4.918 5.518 ( 0.216 -1.841 -0.275) 1.874 5.518 ( 0.216 1.841 -0.275) 1.874 5.998 ( -0.203 -1.113 -0.030) 1.132 5.998 ( -0.203 1.113 -0.030) 1.132 6.138 ( 0.790 -2.291 0.010) 2.424 6.138 ( 0.790 2.291 0.010) 2.424 6.510 ( -1.864 -1.971 0.542) 2.767 6.510 ( -1.864 1.971 0.542) 2.767 8.200 ( 0.296 -1.412 -1.926) 2.406 8.200 ( 0.296 1.412 -1.926) 2.406 8.321 ( 0.150 -3.075 -1.859) 3.596 8.321 ( 0.150 3.075 -1.859) 3.596 8.461 ( 3.794 -6.467 0.191) 7.500 8.461 ( 3.794 6.467 0.191) 7.500 8.826 ( -1.001 -2.118 2.593) 3.495 8.826 ( -1.001 2.118 2.593) 3.495 9.006 ( 0.126 -0.375 -0.303) 0.498 9.006 ( 0.126 0.375 -0.303) 0.498 ======================= Grid point 96 (54/75) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -7.334 -4.755 3.261) 9.330 0.748 ( -7.334 4.755 3.261) 9.330 0.940 ( -1.778 -3.321 8.292) 9.108 0.940 ( -1.778 3.321 8.292) 9.108 1.137 ( 4.175 -1.963 0.857) 4.693 1.137 ( 4.175 1.963 0.857) 4.693 1.387 ( -0.735 -3.685 2.546) 4.538 1.387 ( -0.735 3.685 2.546) 4.538 1.479 ( -0.457 -5.585 1.373) 5.769 1.479 ( -0.457 5.585 1.373) 5.769 1.592 ( 0.786 -3.952 0.958) 4.142 1.592 ( 0.786 3.952 0.958) 4.142 1.711 ( -1.458 -2.890 1.427) 3.537 1.711 ( -1.458 2.890 1.427) 3.537 2.003 ( -0.943 -3.252 -2.358) 4.127 2.003 ( -0.943 3.252 -2.358) 4.127 2.074 ( 0.386 -2.741 0.043) 2.769 2.074 ( 0.386 2.741 0.043) 2.769 2.237 ( -2.571 -3.100 1.938) 4.470 2.237 ( -2.571 3.100 1.938) 4.470 2.326 ( -2.893 -3.666 -1.717) 4.976 2.326 ( -2.893 3.666 -1.717) 4.976 2.421 ( 2.894 -1.763 3.228) 4.680 2.421 ( 2.894 1.763 3.228) 4.680 2.573 ( 1.762 -2.433 -0.999) 3.166 2.573 ( 1.762 2.433 -0.999) 3.166 2.682 ( 2.586 -1.085 -0.959) 2.964 2.682 ( 2.586 1.085 -0.959) 2.964 2.866 ( 0.622 -3.488 -0.576) 3.590 2.866 ( 0.622 3.488 -0.576) 3.590 2.957 ( -0.108 -1.567 -0.570) 1.671 2.957 ( -0.108 1.567 -0.570) 1.671 3.046 ( -3.226 -1.189 -1.397) 3.711 3.046 ( -3.226 1.189 -1.397) 3.711 3.073 ( 0.000 -4.432 -1.245) 4.604 3.073 ( 0.000 4.432 -1.245) 4.604 3.243 ( 4.066 -1.228 -1.859) 4.636 3.243 ( 4.066 1.228 -1.859) 4.636 3.303 ( 0.409 -0.647 -0.796) 1.105 3.303 ( 0.409 0.647 -0.796) 1.105 3.353 ( -2.137 -1.223 1.225) 2.750 3.353 ( -2.137 1.223 1.225) 2.750 3.402 ( -1.278 -3.516 -1.472) 4.020 3.402 ( -1.278 3.516 -1.472) 4.020 3.628 ( -1.472 -1.990 -0.219) 2.485 3.628 ( -1.472 1.990 -0.219) 2.485 3.736 ( 0.675 -3.236 -5.542) 6.453 3.736 ( 0.675 3.236 -5.542) 6.453 3.813 ( 1.735 -2.479 -1.926) 3.587 3.813 ( 1.735 2.479 -1.926) 3.587 4.047 ( -1.219 -1.232 -0.227) 1.748 4.047 ( -1.219 1.232 -0.227) 1.748 4.135 ( -0.715 -1.810 -2.487) 3.158 4.135 ( -0.715 1.810 -2.487) 3.158 4.378 ( 0.682 -3.201 3.829) 5.038 4.378 ( 0.682 3.201 3.829) 5.038 4.580 ( -2.649 -0.558 3.065) 4.089 4.580 ( -2.649 0.558 3.065) 4.089 4.700 ( 2.626 -1.836 1.243) 3.436 4.700 ( 2.626 1.836 1.243) 3.436 4.935 ( -2.694 -1.296 -0.426) 3.020 4.935 ( -2.694 1.296 -0.426) 3.020 5.175 ( 0.138 -1.874 -1.992) 2.739 5.175 ( 0.138 1.874 -1.992) 2.739 5.258 ( 1.282 -5.207 5.250) 7.504 5.258 ( 1.282 5.207 5.250) 7.504 5.541 ( 1.517 -1.700 1.567) 2.765 5.541 ( 1.517 1.700 1.567) 2.765 5.994 ( -0.210 -0.986 -0.035) 1.009 5.994 ( -0.210 0.986 -0.035) 1.009 6.132 ( -0.515 -1.031 -1.769) 2.111 6.132 ( -0.515 1.031 -1.769) 2.111 6.487 ( -0.969 -1.767 0.267) 2.033 6.487 ( -0.969 1.767 0.267) 2.033 8.168 ( -0.826 -1.861 -2.589) 3.294 8.168 ( -0.826 1.861 -2.589) 3.294 8.354 ( 3.918 -2.379 0.455) 4.606 8.354 ( 3.918 2.379 0.455) 4.606 8.517 ( 2.265 -4.673 0.239) 5.198 8.517 ( 2.265 4.673 0.239) 5.198 8.802 ( -3.437 -2.526 -0.338) 4.279 8.802 ( -3.437 2.526 -0.338) 4.279 9.005 ( 0.098 -0.777 -0.290) 0.835 9.005 ( 0.098 0.777 -0.290) 0.835 ======================= Grid point 105 (55/75) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.232 0.000 5.500) 5.505 0.871 ( 2.298 0.000 3.420) 4.121 1.084 ( -8.034 0.000 5.821) 9.921 1.160 ( 7.280 0.000 -2.172) 7.597 1.275 ( -0.094 0.000 4.134) 4.135 1.316 ( -4.311 0.000 1.457) 4.551 1.424 ( -2.800 0.000 1.200) 3.047 1.484 ( 5.093 0.000 -5.061) 7.180 1.548 ( 2.924 0.000 0.705) 3.007 1.563 ( -3.941 0.000 2.532) 4.684 1.611 ( 0.422 0.000 -3.700) 3.724 1.658 ( 2.274 0.000 -4.387) 4.941 1.762 ( -0.297 0.000 3.171) 3.184 1.810 ( 2.624 0.000 2.461) 3.598 1.854 ( -4.855 0.000 3.175) 5.801 1.862 ( 1.606 0.000 2.765) 3.198 2.032 ( 2.495 0.000 -0.178) 2.502 2.044 ( 0.489 0.000 0.249) 0.549 2.282 ( -2.064 0.000 5.202) 5.597 2.294 ( -0.671 0.000 1.833) 1.952 2.360 ( 0.840 0.000 1.701) 1.897 2.443 ( -1.924 0.000 0.417) 1.968 2.453 ( 1.303 0.000 -5.232) 5.392 2.459 ( -0.924 0.000 -2.629) 2.787 2.570 ( -3.408 0.000 -1.726) 3.820 2.577 ( -0.433 0.000 -2.309) 2.350 2.625 ( 2.319 0.000 6.062) 6.490 2.737 ( -4.673 0.000 -2.482) 5.291 2.745 ( 1.426 0.000 1.377) 1.982 2.816 ( 3.333 0.000 4.889) 5.917 2.819 ( 0.416 0.000 -3.567) 3.591 2.917 ( -5.856 0.000 -5.593) 8.098 2.925 ( 1.371 0.000 2.327) 2.701 2.983 ( -2.481 0.000 -2.916) 3.828 3.094 ( -2.146 0.000 0.514) 2.207 3.111 ( 0.964 0.000 -2.439) 2.623 3.175 ( -0.123 0.000 5.016) 5.018 3.195 ( 3.275 0.000 2.561) 4.157 3.233 ( 1.341 0.000 0.943) 1.639 3.303 ( 1.086 0.000 -5.963) 6.061 3.324 ( -1.777 0.000 0.556) 1.862 3.360 ( 1.158 0.000 -2.494) 2.750 3.483 ( 4.218 0.000 1.816) 4.593 3.486 ( -3.054 0.000 -0.160) 3.059 3.513 ( -2.536 0.000 4.024) 4.756 3.623 ( -0.396 0.000 -2.458) 2.490 3.655 ( -1.688 0.000 0.210) 1.701 3.680 ( 2.587 0.000 -2.756) 3.780 3.764 ( -1.301 0.000 0.050) 1.302 3.783 ( 2.117 0.000 -1.089) 2.381 3.960 ( 0.585 0.000 -1.206) 1.340 3.964 ( 0.461 0.000 -2.106) 2.155 4.115 ( -0.399 0.000 2.123) 2.160 4.150 ( 0.536 0.000 -1.208) 1.321 4.454 ( 2.677 0.000 1.950) 3.312 4.467 ( 0.493 0.000 0.414) 0.644 4.503 ( 0.361 0.000 -0.298) 0.468 4.516 ( -7.038 0.000 -0.889) 7.094 4.761 ( 3.440 0.000 1.245) 3.659 4.768 ( -2.903 0.000 0.478) 2.942 4.941 ( 2.563 0.000 2.663) 3.697 4.982 ( -2.673 0.000 -0.816) 2.794 5.073 ( 0.227 0.000 -0.447) 0.501 5.078 ( -0.978 0.000 -0.665) 1.183 5.369 ( 4.345 0.000 4.315) 6.123 5.458 ( -2.076 0.000 -4.296) 4.771 5.641 ( 2.384 0.000 2.565) 3.502 5.676 ( 0.385 0.000 -1.037) 1.106 5.951 ( 0.434 0.000 0.212) 0.484 5.952 ( -0.162 0.000 -0.002) 0.162 6.103 ( 0.694 0.000 -0.713) 0.995 6.104 ( -2.780 0.000 -0.625) 2.850 6.432 ( -3.310 0.000 3.024) 4.483 6.528 ( 5.858 0.000 -6.187) 8.521 8.088 ( -3.928 0.000 -0.295) 3.939 8.102 ( 4.173 0.000 -1.519) 4.441 8.443 ( 0.678 0.000 3.247) 3.317 8.490 ( 2.605 0.000 -1.505) 3.008 8.518 ( 1.214 0.000 3.869) 4.055 8.586 ( 0.027 0.000 -2.926) 2.926 8.657 ( -0.710 0.000 -0.138) 0.723 8.659 ( -5.989 0.000 -0.547) 6.014 9.003 ( 0.262 0.000 0.450) 0.520 9.014 ( -0.002 0.000 -0.702) 0.702 ======================= Grid point 106 (56/75) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.412 0.000 -1.009) 1.090 0.858 ( -3.713 0.000 0.666) 3.772 1.070 ( 1.161 0.000 1.207) 1.675 1.219 ( -1.806 0.000 -2.842) 3.367 1.312 ( -0.967 0.000 5.315) 5.402 1.319 ( 1.897 0.000 6.301) 6.580 1.346 ( -1.607 0.000 -3.969) 4.282 1.465 ( -1.203 0.000 -2.651) 2.911 1.516 ( -2.475 0.000 0.148) 2.479 1.609 ( 1.644 0.000 -1.766) 2.412 1.622 ( 2.091 0.000 1.959) 2.866 1.702 ( 5.132 0.000 -4.619) 6.904 1.774 ( -2.191 0.000 0.158) 2.197 1.781 ( -0.565 0.000 0.007) 0.565 1.854 ( -1.141 0.000 -4.158) 4.311 1.895 ( 3.127 0.000 7.280) 7.923 2.057 ( 0.229 0.000 -0.615) 0.656 2.059 ( 1.644 0.000 -5.223) 5.475 2.262 ( -4.785 0.000 -1.229) 4.940 2.294 ( -1.522 0.000 1.966) 2.486 2.359 ( -0.279 0.000 5.993) 5.999 2.404 ( -1.258 0.000 -3.218) 3.455 2.439 ( -3.401 0.000 -2.732) 4.363 2.465 ( 2.313 0.000 2.735) 3.581 2.529 ( -0.252 0.000 6.065) 6.070 2.589 ( -0.012 0.000 -0.439) 0.439 2.607 ( -3.249 0.000 1.227) 3.473 2.760 ( 0.731 0.000 2.646) 2.745 2.768 ( -3.812 0.000 -4.018) 5.539 2.794 ( 3.790 0.000 6.946) 7.912 2.821 ( 2.190 0.000 -5.661) 6.070 2.910 ( -2.797 0.000 -2.617) 3.830 2.915 ( 0.923 0.000 5.306) 5.386 2.972 ( 0.253 0.000 4.817) 4.824 3.054 ( -1.415 0.000 2.252) 2.659 3.120 ( 0.674 0.000 -0.187) 0.699 3.159 ( -3.505 0.000 -2.397) 4.246 3.209 ( -1.034 0.000 -0.266) 1.068 3.249 ( -0.714 0.000 2.061) 2.181 3.257 ( 0.264 0.000 -7.316) 7.321 3.336 ( 1.620 0.000 2.816) 3.249 3.381 ( 3.048 0.000 -1.500) 3.397 3.453 ( -0.100 0.000 0.147) 0.178 3.486 ( -2.809 0.000 1.486) 3.177 3.614 ( 1.843 0.000 -3.829) 4.250 3.616 ( 5.165 0.000 3.719) 6.365 3.649 ( 0.945 0.000 1.578) 1.839 3.710 ( 2.585 0.000 -1.901) 3.209 3.750 ( 0.207 0.000 -0.859) 0.883 3.820 ( 3.579 0.000 -1.179) 3.768 3.968 ( 1.618 0.000 -0.527) 1.702 3.972 ( 1.777 0.000 -1.248) 2.171 4.120 ( -1.268 0.000 1.569) 2.017 4.143 ( 0.576 0.000 -2.126) 2.203 4.365 ( -6.781 0.000 -0.694) 6.817 4.412 ( -4.736 0.000 0.909) 4.823 4.509 ( 0.834 0.000 2.662) 2.790 4.594 ( 3.073 0.000 2.321) 3.851 4.733 ( -0.345 0.000 0.127) 0.368 4.830 ( 3.602 0.000 -0.426) 3.627 4.908 ( -3.927 0.000 -2.013) 4.413 4.980 ( -1.114 0.000 2.265) 2.524 5.077 ( 1.272 0.000 0.563) 1.391 5.093 ( 1.698 0.000 0.802) 1.878 5.354 ( -3.455 0.000 -5.712) 6.676 5.449 ( 0.973 0.000 2.001) 2.225 5.642 ( -1.150 0.000 -3.752) 3.924 5.676 ( 0.505 0.000 -0.779) 0.928 5.946 ( -0.407 0.000 -0.218) 0.462 5.954 ( -0.091 0.000 -0.259) 0.275 6.074 ( -1.083 0.000 1.371) 1.747 6.130 ( 1.631 0.000 1.757) 2.397 6.429 ( -0.450 0.000 3.465) 3.494 6.570 ( 5.979 0.000 -6.948) 9.166 8.037 ( -1.920 0.000 0.714) 2.049 8.162 ( 3.349 0.000 -1.095) 3.523 8.412 ( -3.996 0.000 0.785) 4.072 8.435 ( -4.103 0.000 -3.957) 5.700 8.528 ( -2.138 0.000 -4.017) 4.550 8.550 ( -0.573 0.000 2.442) 2.509 8.663 ( 2.116 0.000 4.099) 4.613 8.732 ( 4.890 0.000 3.793) 6.188 9.005 ( -0.210 0.000 -0.621) 0.656 9.008 ( -0.031 0.000 0.099) 0.103 ======================= Grid point 107 (57/75) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -1.012 0.000 1.329) 1.670 0.856 ( 3.007 0.000 -2.642) 4.003 1.100 ( 2.197 0.000 -3.057) 3.764 1.148 ( -2.321 0.000 -4.169) 4.772 1.245 ( -3.286 0.000 -0.247) 3.295 1.339 ( -0.152 0.000 4.739) 4.742 1.430 ( -1.100 0.000 -0.620) 1.263 1.447 ( 2.945 0.000 1.864) 3.485 1.490 ( -1.784 0.000 2.654) 3.198 1.535 ( -4.444 0.000 -4.716) 6.480 1.650 ( -3.291 0.000 -4.144) 5.292 1.689 ( -1.582 0.000 -1.884) 2.460 1.733 ( 1.998 0.000 2.192) 2.966 1.797 ( 4.674 0.000 -8.333) 9.554 1.833 ( 2.245 0.000 -0.311) 2.267 2.053 ( 2.931 0.000 3.386) 4.478 2.076 ( 4.491 0.000 0.754) 4.554 2.076 ( 0.724 0.000 3.229) 3.309 2.176 ( -0.517 0.000 1.700) 1.777 2.251 ( -4.290 0.000 -0.880) 4.380 2.354 ( -1.946 0.000 -0.985) 2.181 2.356 ( -1.182 0.000 1.351) 1.795 2.407 ( -2.819 0.000 3.596) 4.570 2.421 ( -4.399 0.000 0.024) 4.399 2.582 ( -0.787 0.000 4.683) 4.749 2.598 ( -1.422 0.000 2.430) 2.816 2.666 ( -0.443 0.000 -1.063) 1.152 2.740 ( 3.965 0.000 2.154) 4.513 2.754 ( -3.141 0.000 -1.279) 3.391 2.807 ( 2.178 0.000 -6.371) 6.733 2.835 ( -1.370 0.000 1.802) 2.263 2.860 ( 1.155 0.000 2.410) 2.673 2.984 ( 1.990 0.000 3.926) 4.402 3.019 ( -3.946 0.000 4.224) 5.780 3.057 ( -1.336 0.000 1.920) 2.339 3.104 ( 0.001 0.000 -5.365) 5.365 3.132 ( 2.770 0.000 2.942) 4.041 3.185 ( 0.320 0.000 -0.374) 0.492 3.221 ( 0.592 0.000 -1.879) 1.970 3.252 ( -1.479 0.000 2.673) 3.055 3.406 ( 1.824 0.000 2.547) 3.133 3.416 ( 2.108 0.000 -0.990) 2.329 3.455 ( -1.466 0.000 0.624) 1.594 3.486 ( 3.881 0.000 1.309) 4.096 3.588 ( 0.270 0.000 -5.406) 5.413 3.640 ( -0.849 0.000 1.313) 1.563 3.700 ( -2.706 0.000 0.816) 2.826 3.761 ( 3.917 0.000 -5.095) 6.426 3.761 ( 4.720 0.000 1.746) 5.033 3.868 ( 2.862 0.000 -1.927) 3.450 3.982 ( 0.283 0.000 -0.641) 0.701 4.006 ( 1.790 0.000 1.600) 2.401 4.099 ( -2.173 0.000 0.934) 2.366 4.138 ( 1.929 0.000 -3.211) 3.746 4.288 ( -1.782 0.000 0.448) 1.837 4.336 ( -5.131 0.000 2.084) 5.538 4.554 ( 0.545 0.000 4.095) 4.131 4.598 ( -2.178 0.000 -0.140) 2.182 4.782 ( 3.212 0.000 1.195) 3.427 4.826 ( -3.356 0.000 -0.643) 3.417 4.841 ( -0.945 0.000 -4.119) 4.226 4.975 ( -0.863 0.000 2.393) 2.544 5.128 ( 3.023 0.000 1.813) 3.525 5.138 ( 2.197 0.000 0.965) 2.399 5.257 ( -1.679 0.000 -4.737) 5.025 5.439 ( -2.276 0.000 -1.218) 2.581 5.583 ( -0.461 0.000 -4.649) 4.672 5.650 ( -1.054 0.000 -2.901) 3.087 5.935 ( -0.378 0.000 -0.649) 0.751 5.944 ( -0.623 0.000 -0.533) 0.820 6.091 ( 0.318 0.000 3.430) 3.444 6.181 ( 1.474 0.000 2.436) 2.847 6.473 ( 0.960 0.000 3.624) 3.749 6.595 ( 4.059 0.000 -5.881) 7.146 8.042 ( 1.026 0.000 2.134) 2.368 8.170 ( -1.110 0.000 -0.479) 1.209 8.321 ( -4.110 0.000 -4.066) 5.781 8.382 ( -1.253 0.000 -0.600) 1.390 8.459 ( 0.319 0.000 -4.138) 4.150 8.547 ( -1.943 0.000 1.522) 2.468 8.745 ( 2.319 0.000 4.329) 4.911 8.839 ( 2.206 0.000 4.288) 4.822 8.998 ( 0.050 0.000 -0.246) 0.251 9.004 ( -0.171 0.000 -0.298) 0.343 ======================= Grid point 108 (58/75) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.380 0.000 1.779) 1.819 0.899 ( 3.831 0.000 -2.391) 4.516 1.032 ( -6.611 0.000 -3.160) 7.327 1.068 ( -0.595 0.000 -3.676) 3.724 1.281 ( 6.039 0.000 2.217) 6.433 1.339 ( -5.086 0.000 -0.764) 5.143 1.416 ( 0.163 0.000 0.091) 0.187 1.438 ( -1.000 0.000 -1.943) 2.185 1.462 ( -3.637 0.000 -0.481) 3.668 1.525 ( 6.634 0.000 2.601) 7.125 1.592 ( -2.526 0.000 3.224) 4.096 1.602 ( -5.648 0.000 -3.577) 6.686 1.790 ( 4.061 0.000 -6.603) 7.752 1.794 ( 0.228 0.000 0.910) 0.938 1.877 ( 1.045 0.000 2.970) 3.148 2.044 ( -0.479 0.000 -5.595) 5.616 2.111 ( 0.944 0.000 1.677) 1.925 2.139 ( 3.058 0.000 0.182) 3.063 2.186 ( -2.747 0.000 5.161) 5.847 2.290 ( -4.049 0.000 5.388) 6.739 2.356 ( 2.379 0.000 3.059) 3.876 2.379 ( -0.938 0.000 1.948) 2.162 2.385 ( 3.827 0.000 2.104) 4.367 2.387 ( -0.376 0.000 3.415) 3.435 2.583 ( -2.646 0.000 1.953) 3.289 2.601 ( -0.906 0.000 -0.963) 1.323 2.633 ( 0.108 0.000 -1.195) 1.199 2.659 ( -3.915 0.000 -2.498) 4.644 2.751 ( 1.849 0.000 -3.884) 4.302 2.787 ( 1.317 0.000 -0.766) 1.524 2.814 ( -2.608 0.000 0.454) 2.647 2.931 ( -4.672 0.000 -2.557) 5.326 3.004 ( 6.485 0.000 -0.676) 6.520 3.008 ( -3.832 0.000 0.311) 3.845 3.092 ( 3.051 0.000 2.921) 4.224 3.096 ( 0.859 0.000 5.952) 6.014 3.192 ( 1.100 0.000 1.312) 1.712 3.206 ( 1.753 0.000 -0.765) 1.913 3.216 ( 0.023 0.000 -0.039) 0.045 3.252 ( -1.469 0.000 2.098) 2.561 3.411 ( -2.515 0.000 0.820) 2.645 3.433 ( -0.256 0.000 1.420) 1.443 3.452 ( 1.867 0.000 -2.362) 3.011 3.527 ( 0.048 0.000 -3.862) 3.862 3.612 ( 5.185 0.000 1.869) 5.512 3.632 ( -1.607 0.000 1.440) 2.158 3.679 ( 0.187 0.000 1.720) 1.730 3.779 ( 3.529 0.000 -4.332) 5.588 3.791 ( -1.179 0.000 -2.287) 2.573 3.854 ( -1.216 0.000 -3.756) 3.948 3.994 ( 0.782 0.000 2.266) 2.397 4.043 ( -0.818 0.000 3.444) 3.540 4.079 ( 0.361 0.000 -1.407) 1.452 4.142 ( 2.557 0.000 -4.679) 5.333 4.294 ( 1.208 0.000 0.750) 1.421 4.300 ( -1.970 0.000 2.917) 3.520 4.569 ( -0.609 0.000 0.934) 1.115 4.600 ( -0.110 0.000 4.252) 4.254 4.744 ( -4.011 0.000 -4.276) 5.863 4.756 ( -1.628 0.000 -2.490) 2.974 4.857 ( 0.941 0.000 4.218) 4.322 4.981 ( 0.314 0.000 -1.576) 1.607 5.177 ( 1.502 0.000 0.170) 1.512 5.193 ( 1.825 0.000 -1.946) 2.668 5.219 ( 0.798 0.000 2.644) 2.762 5.367 ( -3.107 0.000 -3.188) 4.451 5.555 ( 1.560 0.000 -3.017) 3.397 5.594 ( -2.411 0.000 -2.504) 3.476 5.924 ( 0.020 0.000 -0.712) 0.712 5.926 ( -0.781 0.000 -0.419) 0.886 6.142 ( 0.922 0.000 4.264) 4.363 6.215 ( 0.620 0.000 0.595) 0.860 6.513 ( -0.399 0.000 3.435) 3.458 6.598 ( 1.919 0.000 -4.391) 4.792 8.109 ( 3.363 0.000 3.535) 4.879 8.151 ( -0.338 0.000 0.351) 0.487 8.228 ( -2.113 0.000 -3.655) 4.222 8.299 ( -4.406 0.000 -3.840) 5.845 8.488 ( 4.436 0.000 -1.974) 4.856 8.515 ( -3.032 0.000 0.918) 3.168 8.822 ( 2.382 0.000 3.401) 4.152 8.874 ( -1.834 0.000 2.630) 3.206 9.002 ( 0.291 0.000 0.097) 0.307 9.004 ( 0.516 0.000 -0.273) 0.583 ======================= Grid point 109 (59/75) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -4.538 0.000 3.784) 5.909 0.870 ( -6.201 0.000 -1.246) 6.325 0.958 ( 0.438 0.000 3.305) 3.334 1.058 ( 2.604 0.000 -1.642) 3.078 1.247 ( -4.852 0.000 0.719) 4.906 1.387 ( -4.695 0.000 4.462) 6.477 1.424 ( 8.735 0.000 -6.798) 11.069 1.437 ( 0.368 0.000 0.815) 0.894 1.483 ( 4.349 0.000 5.329) 6.879 1.484 ( -0.227 0.000 -3.959) 3.965 1.536 ( -6.831 0.000 2.609) 7.312 1.630 ( 0.690 0.000 0.777) 1.039 1.731 ( -5.847 0.000 -0.026) 5.847 1.816 ( 2.644 0.000 -1.924) 3.270 1.932 ( 0.832 0.000 4.357) 4.436 1.978 ( -0.527 0.000 -6.037) 6.060 2.126 ( -0.930 0.000 0.759) 1.201 2.147 ( 0.310 0.000 -1.264) 1.302 2.246 ( -0.707 0.000 0.752) 1.032 2.276 ( 2.336 0.000 6.075) 6.508 2.363 ( -0.234 0.000 0.523) 0.573 2.368 ( -0.540 0.000 1.930) 2.004 2.428 ( -2.511 0.000 2.336) 3.429 2.495 ( -1.453 0.000 -6.701) 6.856 2.544 ( -0.100 0.000 0.215) 0.237 2.561 ( 5.111 0.000 3.484) 6.185 2.614 ( -0.917 0.000 1.016) 1.368 2.656 ( 2.282 0.000 -1.036) 2.507 2.769 ( -2.297 0.000 -1.238) 2.609 2.809 ( 2.052 0.000 0.257) 2.069 2.810 ( -4.217 0.000 -4.504) 6.170 2.846 ( 6.651 0.000 4.798) 8.201 2.931 ( -4.692 0.000 2.723) 5.425 3.055 ( 3.482 0.000 -4.411) 5.620 3.152 ( -0.917 0.000 3.089) 3.222 3.173 ( 0.005 0.000 1.857) 1.857 3.187 ( -1.572 0.000 -2.351) 2.828 3.204 ( 2.000 0.000 -3.324) 3.879 3.234 ( -0.787 0.000 -0.333) 0.855 3.263 ( 3.376 0.000 1.704) 3.782 3.373 ( -2.753 0.000 2.275) 3.572 3.442 ( -0.882 0.000 2.756) 2.894 3.464 ( 2.339 0.000 -2.777) 3.631 3.499 ( 0.355 0.000 -2.649) 2.673 3.611 ( -2.605 0.000 1.302) 2.912 3.669 ( 1.517 0.000 0.229) 1.534 3.704 ( -5.321 0.000 -2.027) 5.694 3.736 ( 1.914 0.000 1.504) 2.434 3.788 ( -1.323 0.000 -3.669) 3.900 3.810 ( 2.716 0.000 -0.526) 2.767 4.036 ( -1.406 0.000 -0.176) 1.417 4.038 ( 0.959 0.000 2.581) 2.754 4.082 ( 0.318 0.000 0.098) 0.333 4.131 ( 1.805 0.000 -5.479) 5.769 4.295 ( -1.125 0.000 1.026) 1.523 4.330 ( 2.420 0.000 -0.062) 2.421 4.607 ( -0.797 0.000 -1.533) 1.728 4.609 ( 2.081 0.000 2.841) 3.522 4.683 ( -1.576 0.000 3.389) 3.738 4.714 ( -0.762 0.000 -0.933) 1.205 4.911 ( 0.738 0.000 4.568) 4.628 4.949 ( -0.287 0.000 -4.814) 4.823 5.178 ( -0.986 0.000 -0.364) 1.051 5.186 ( -0.255 0.000 -0.860) 0.897 5.285 ( -2.487 0.000 -3.434) 4.240 5.299 ( 3.380 0.000 3.642) 4.968 5.529 ( -2.930 0.000 -0.506) 2.973 5.572 ( 1.944 0.000 -0.417) 1.988 5.914 ( -0.335 0.000 0.179) 0.380 5.925 ( 0.599 0.000 -0.262) 0.654 6.192 ( 0.667 0.000 2.900) 2.975 6.210 ( -0.338 0.000 -2.090) 2.117 6.523 ( -2.131 0.000 3.298) 3.926 6.577 ( -0.211 0.000 -3.127) 3.134 8.166 ( -0.406 0.000 -0.072) 0.412 8.181 ( 0.225 0.000 -1.883) 1.896 8.195 ( -1.359 0.000 -2.575) 2.912 8.219 ( 4.701 0.000 3.398) 5.801 8.463 ( -3.697 0.000 0.546) 3.737 8.543 ( 3.824 0.000 -1.840) 4.244 8.845 ( -2.921 0.000 0.790) 3.026 8.891 ( 2.634 0.000 1.397) 2.982 9.005 ( 0.062 0.000 -0.240) 0.248 9.006 ( -0.119 0.000 -0.297) 0.320 ======================= Grid point 110 (60/75) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -6.021 0.000 6.722) 9.024 0.782 ( -6.367 0.000 6.787) 9.306 1.034 ( 4.656 0.000 2.109) 5.111 1.105 ( 3.362 0.000 -1.110) 3.541 1.199 ( -1.738 0.000 3.550) 3.953 1.338 ( -8.218 0.000 8.196) 11.606 1.410 ( -2.727 0.000 -0.681) 2.811 1.463 ( 2.022 0.000 1.994) 2.840 1.514 ( 2.180 0.000 -0.341) 2.206 1.526 ( 8.949 0.000 -3.853) 9.743 1.588 ( -2.671 0.000 -0.395) 2.700 1.620 ( -4.273 0.000 6.669) 7.921 1.663 ( 1.693 0.000 0.816) 1.879 1.797 ( -1.699 0.000 -3.547) 3.933 1.904 ( -1.734 0.000 -6.090) 6.332 1.983 ( -0.412 0.000 5.517) 5.533 2.109 ( -0.267 0.000 -0.171) 0.318 2.122 ( -0.701 0.000 -2.929) 3.011 2.265 ( 1.067 0.000 -1.523) 1.860 2.293 ( -4.762 0.000 0.677) 4.810 2.308 ( -5.356 0.000 -1.262) 5.503 2.404 ( -0.191 0.000 -2.955) 2.961 2.424 ( 3.315 0.000 2.312) 4.042 2.429 ( 4.206 0.000 -0.340) 4.219 2.604 ( 1.913 0.000 3.959) 4.397 2.620 ( 0.582 0.000 0.765) 0.961 2.655 ( 2.800 0.000 -2.079) 3.488 2.704 ( 3.660 0.000 1.571) 3.983 2.717 ( -0.522 0.000 -1.095) 1.213 2.758 ( -1.466 0.000 0.790) 1.666 2.865 ( 3.173 0.000 0.813) 3.275 2.902 ( -2.220 0.000 1.989) 2.981 2.995 ( 4.419 0.000 3.066) 5.378 3.025 ( -0.980 0.000 -3.254) 3.398 3.070 ( -3.740 0.000 -3.929) 5.425 3.151 ( -1.344 0.000 -2.436) 2.782 3.164 ( -1.547 0.000 0.980) 1.831 3.209 ( 0.997 0.000 -4.320) 4.433 3.223 ( -0.448 0.000 -0.560) 0.717 3.317 ( 3.156 0.000 -2.562) 4.065 3.361 ( -1.931 0.000 3.064) 3.621 3.445 ( -2.063 0.000 2.479) 3.225 3.476 ( -0.267 0.000 -1.165) 1.195 3.492 ( 1.234 0.000 -1.766) 2.155 3.534 ( -4.468 0.000 -1.761) 4.802 3.656 ( -0.355 0.000 4.075) 4.090 3.686 ( 1.165 0.000 -1.618) 1.994 3.750 ( 0.331 0.000 -2.928) 2.946 3.751 ( -1.999 0.000 1.810) 2.697 3.828 ( -1.223 0.000 0.618) 1.370 4.006 ( -0.398 0.000 -2.251) 2.285 4.043 ( -1.789 0.000 -1.299) 2.211 4.090 ( -0.224 0.000 1.372) 1.390 4.123 ( 2.293 0.000 -2.140) 3.137 4.292 ( 0.821 0.000 0.120) 0.830 4.378 ( 4.201 0.000 -1.598) 4.494 4.601 ( 1.921 0.000 -0.884) 2.114 4.614 ( -1.777 0.000 -1.635) 2.415 4.707 ( -1.897 0.000 6.067) 6.356 4.754 ( 2.009 0.000 4.310) 4.755 4.889 ( -0.924 0.000 -4.630) 4.721 4.973 ( 1.773 0.000 3.348) 3.789 5.150 ( -1.877 0.000 -0.281) 1.898 5.151 ( -2.344 0.000 -1.298) 2.679 5.224 ( -1.137 0.000 -1.592) 1.956 5.400 ( 4.586 0.000 2.797) 5.372 5.508 ( -0.201 0.000 2.560) 2.568 5.605 ( 1.275 0.000 1.420) 1.908 5.919 ( 0.362 0.000 0.767) 0.848 5.937 ( 0.787 0.000 0.114) 0.795 6.170 ( -0.847 0.000 -3.768) 3.862 6.211 ( -0.300 0.000 -0.166) 0.343 6.506 ( -3.373 0.000 3.224) 4.666 6.533 ( -1.455 0.000 -2.392) 2.800 8.097 ( -1.684 0.000 -3.260) 3.669 8.180 ( 1.122 0.000 -1.546) 1.910 8.251 ( 3.855 0.000 2.653) 4.680 8.337 ( 4.393 0.000 4.146) 6.040 8.409 ( -2.342 0.000 0.362) 2.370 8.582 ( 2.801 0.000 -2.002) 3.443 8.795 ( -3.131 0.000 -0.585) 3.185 8.908 ( -1.120 0.000 -2.364) 2.616 8.997 ( -0.482 0.000 -0.088) 0.490 9.007 ( 0.942 0.000 -0.542) 1.087 ======================= Grid point 111 (61/75) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.165 0.000 7.281) 7.283 0.786 ( -1.723 0.000 8.247) 8.425 1.099 ( 3.063 0.000 -2.338) 3.853 1.140 ( -1.566 0.000 4.035) 4.328 1.242 ( -0.619 0.000 5.216) 5.252 1.337 ( 0.050 0.000 3.518) 3.519 1.412 ( -1.259 0.000 6.248) 6.374 1.441 ( 1.087 0.000 -4.343) 4.477 1.532 ( 1.494 0.000 -2.530) 2.938 1.580 ( -4.416 0.000 6.619) 7.957 1.627 ( 4.581 0.000 -3.927) 6.034 1.662 ( 3.822 0.000 6.132) 7.226 1.702 ( -0.155 0.000 5.942) 5.944 1.726 ( -1.477 0.000 -1.468) 2.083 1.820 ( -0.821 0.000 -4.377) 4.453 1.962 ( -6.360 0.000 0.650) 6.393 2.068 ( -2.088 0.000 -6.176) 6.519 2.088 ( -1.620 0.000 -2.611) 3.073 2.223 ( 3.900 0.000 0.722) 3.966 2.277 ( 0.417 0.000 2.029) 2.072 2.299 ( -2.488 0.000 6.657) 7.106 2.401 ( 3.243 0.000 -0.816) 3.344 2.468 ( 0.033 0.000 1.888) 1.888 2.502 ( 3.022 0.000 -3.380) 4.533 2.622 ( -1.002 0.000 0.691) 1.217 2.641 ( -0.183 0.000 -4.824) 4.828 2.655 ( -2.762 0.000 -3.219) 4.242 2.698 ( 1.020 0.000 1.201) 1.576 2.745 ( 0.057 0.000 2.206) 2.207 2.759 ( -0.294 0.000 2.198) 2.217 2.873 ( -1.073 0.000 -2.421) 2.648 2.889 ( 1.677 0.000 -1.062) 1.985 3.009 ( 1.051 0.000 -2.304) 2.533 3.057 ( 0.831 0.000 5.306) 5.371 3.068 ( -1.544 0.000 -1.059) 1.872 3.090 ( 1.212 0.000 0.150) 1.221 3.153 ( -0.436 0.000 -6.199) 6.214 3.154 ( -0.493 0.000 0.932) 1.054 3.211 ( -0.434 0.000 0.653) 0.784 3.331 ( 2.925 0.000 -5.553) 6.276 3.351 ( -2.022 0.000 1.505) 2.520 3.392 ( -2.537 0.000 -2.773) 3.759 3.437 ( -1.881 0.000 3.397) 3.883 3.505 ( 1.177 0.000 -0.638) 1.339 3.514 ( -0.876 0.000 2.032) 2.213 3.676 ( -1.242 0.000 -0.892) 1.529 3.686 ( -1.451 0.000 1.097) 1.819 3.697 ( -2.864 0.000 -2.344) 3.701 3.751 ( 2.367 0.000 -0.646) 2.454 3.795 ( -2.416 0.000 0.235) 2.428 3.983 ( 0.064 0.000 -2.275) 2.276 3.986 ( -1.911 0.000 -1.942) 2.725 4.100 ( -0.317 0.000 1.911) 1.937 4.145 ( 1.261 0.000 -0.707) 1.445 4.346 ( 4.889 0.000 1.075) 5.006 4.435 ( 3.411 0.000 -1.293) 3.648 4.556 ( -2.588 0.000 -2.024) 3.285 4.623 ( -1.444 0.000 -0.699) 1.605 4.709 ( -1.569 0.000 3.479) 3.817 4.797 ( -1.511 0.000 2.805) 3.186 4.873 ( 2.344 0.000 0.290) 2.362 5.009 ( 0.108 0.000 0.013) 0.108 5.097 ( -1.798 0.000 -1.526) 2.358 5.111 ( -1.884 0.000 -0.770) 2.035 5.252 ( 3.278 0.000 3.862) 5.066 5.482 ( 2.680 0.000 -1.037) 2.874 5.563 ( 2.348 0.000 4.023) 4.658 5.647 ( 1.724 0.000 1.939) 2.595 5.937 ( 0.658 0.000 0.732) 0.984 5.950 ( 0.415 0.000 0.149) 0.440 6.122 ( -0.473 0.000 -3.206) 3.241 6.172 ( -2.722 0.000 -2.181) 3.488 6.471 ( -4.087 0.000 3.042) 5.094 6.503 ( 1.748 0.000 -3.409) 3.831 8.068 ( 1.545 0.000 -2.339) 2.803 8.158 ( -2.779 0.000 -0.847) 2.905 8.355 ( 4.148 0.000 3.850) 5.659 8.420 ( 3.668 0.000 0.042) 3.668 8.441 ( 2.916 0.000 4.254) 5.157 8.598 ( 1.431 0.000 -2.413) 2.806 8.723 ( -3.834 0.000 -1.685) 4.188 8.807 ( -6.496 0.000 -3.803) 7.528 8.995 ( 0.021 0.000 0.426) 0.427 9.016 ( 0.568 0.000 -0.736) 0.930 ======================= Grid point 112 (62/75) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.600 -2.258 5.107) 5.616 0.840 ( -1.369 -2.692 2.906) 4.191 1.101 ( -2.855 1.731 4.919) 5.945 1.165 ( 3.055 0.002 -0.943) 3.197 1.203 ( -5.925 -4.187 2.425) 7.649 1.250 ( 4.444 -6.089 -0.363) 7.547 1.389 ( -0.552 -3.339 2.176) 4.024 1.443 ( -2.270 0.686 1.990) 3.096 1.461 ( 2.872 -4.505 -2.843) 6.052 1.520 ( -0.564 -2.654 -3.704) 4.591 1.666 ( -1.663 0.670 1.453) 2.308 1.700 ( 1.280 -1.244 -1.665) 2.441 1.762 ( 0.356 -0.358 1.760) 1.832 1.796 ( 1.364 -1.601 -0.766) 2.238 1.859 ( 0.837 2.821 3.118) 4.287 1.885 ( -0.885 2.560 -0.554) 2.765 2.070 ( 2.434 3.850 3.263) 5.603 2.097 ( 0.380 5.377 -0.011) 5.390 2.288 ( -3.619 0.604 5.359) 6.495 2.307 ( 1.502 0.126 2.305) 2.754 2.388 ( 2.688 -0.996 2.659) 3.910 2.402 ( -2.935 -3.070 1.398) 4.471 2.467 ( -1.651 -0.760 -3.140) 3.628 2.488 ( 0.051 0.048 -5.440) 5.440 2.520 ( 1.802 0.699 1.640) 2.535 2.563 ( -0.648 -1.279 -0.677) 1.585 2.624 ( -0.506 0.750 0.068) 0.908 2.685 ( -1.252 1.121 -0.943) 1.927 2.770 ( -0.441 -1.707 1.419) 2.263 2.792 ( 0.641 -1.133 -2.488) 2.808 2.882 ( -2.149 3.586 0.165) 4.184 2.930 ( -3.025 1.217 -3.735) 4.958 2.972 ( 2.257 2.688 3.109) 4.689 3.015 ( -2.035 1.685 -1.566) 3.072 3.097 ( 0.242 0.298 2.535) 2.564 3.116 ( -1.401 0.096 -0.119) 1.410 3.170 ( -0.562 2.083 1.588) 2.679 3.212 ( 2.756 0.310 -0.714) 2.864 3.246 ( 0.396 0.866 0.723) 1.196 3.291 ( 1.459 -0.687 -2.912) 3.329 3.319 ( -1.266 -1.788 -0.896) 2.367 3.344 ( 0.884 -1.764 -2.675) 3.324 3.409 ( 0.112 -3.572 2.372) 4.290 3.445 ( -0.521 -3.331 -1.280) 3.606 3.548 ( -2.373 1.906 2.712) 4.076 3.621 ( -0.933 -0.101 1.605) 1.859 3.652 ( -0.325 -0.718 -1.546) 1.735 3.660 ( 3.468 -0.309 -5.057) 6.140 3.753 ( -0.986 -0.811 -0.951) 1.592 3.776 ( 2.744 -0.735 -2.196) 3.591 3.987 ( -1.253 2.190 -0.220) 2.533 3.995 ( 1.043 2.210 -1.056) 2.662 4.094 ( 0.028 -1.706 1.310) 2.151 4.123 ( -0.428 -2.300 -1.305) 2.679 4.481 ( 0.628 1.783 2.737) 3.326 4.500 ( 5.631 1.773 2.208) 6.303 4.510 ( -3.126 0.936 -0.955) 3.400 4.542 ( -6.341 2.132 -0.877) 6.747 4.766 ( 3.255 1.181 1.576) 3.804 4.786 ( -2.777 1.855 -0.243) 3.349 4.911 ( 1.997 -2.719 2.563) 4.237 4.946 ( -2.804 -3.208 -0.578) 4.300 5.114 ( 1.343 3.550 0.309) 3.808 5.131 ( -1.154 3.992 -1.178) 4.320 5.351 ( 3.718 -1.453 3.398) 5.242 5.421 ( -1.275 -3.266 -3.340) 4.842 5.633 ( 1.764 -0.522 1.988) 2.709 5.656 ( 0.787 -1.488 -0.281) 1.706 5.966 ( 0.253 1.511 0.476) 1.604 5.976 ( -0.084 1.826 -0.371) 1.866 6.078 ( -0.727 -1.839 -0.197) 1.988 6.091 ( -0.969 -1.503 -1.328) 2.227 6.441 ( -2.310 0.864 1.992) 3.170 6.506 ( 3.909 -1.736 -4.166) 5.971 8.092 ( -2.082 0.428 -0.413) 2.165 8.106 ( 2.704 0.146 -1.626) 3.159 8.456 ( 1.177 1.034 2.711) 3.131 8.488 ( 2.319 -0.256 -0.448) 2.376 8.522 ( 0.967 0.581 2.513) 2.754 8.571 ( 0.128 -1.149 -2.095) 2.392 8.666 ( -2.437 0.908 -0.162) 2.605 8.674 ( -4.005 0.842 -0.915) 4.193 8.999 ( 0.218 -0.265 0.209) 0.402 9.007 ( 0.052 -0.550 -0.613) 0.826 ======================= Grid point 113 (63/75) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -0.252 -1.305 1.435) 1.956 0.850 ( -1.741 -1.295 0.801) 2.313 1.064 ( -2.367 -0.626 -0.714) 2.550 1.150 ( 0.701 -4.168 0.814) 4.304 1.269 ( 4.135 -2.340 1.347) 4.938 1.330 ( -2.080 -1.597 -1.943) 3.264 1.341 ( 0.732 -0.141 2.725) 2.825 1.387 ( -4.403 -4.752 0.057) 6.479 1.475 ( -0.086 -4.023 0.432) 4.047 1.494 ( 1.572 -3.144 -0.553) 3.558 1.673 ( 0.539 1.244 2.344) 2.707 1.739 ( -2.595 -0.428 -2.732) 3.792 1.761 ( 4.645 -1.266 -0.482) 4.839 1.818 ( -2.059 4.152 -0.738) 4.693 1.836 ( 3.807 -0.791 -1.339) 4.113 1.908 ( -0.264 -0.730 0.738) 1.071 2.059 ( -1.586 3.469 -1.991) 4.303 2.117 ( 0.778 3.631 -1.638) 4.058 2.254 ( -5.125 -0.925 1.067) 5.316 2.336 ( -1.548 1.117 0.612) 2.004 2.375 ( -0.784 -1.080 0.308) 1.370 2.409 ( -2.494 1.531 1.442) 3.263 2.425 ( -1.161 -1.250 0.428) 1.759 2.477 ( 3.112 0.289 1.993) 3.707 2.538 ( -0.663 5.112 -1.624) 5.404 2.583 ( 0.671 -5.278 1.001) 5.414 2.595 ( -1.100 -0.401 -0.418) 1.244 2.693 ( 1.289 2.475 3.845) 4.751 2.753 ( -1.083 -2.512 -0.398) 2.764 2.805 ( 1.444 -1.839 -1.199) 2.628 2.882 ( -0.238 4.003 1.712) 4.360 2.902 ( -0.024 2.378 4.289) 4.905 2.960 ( -2.224 1.399 -0.898) 2.776 3.023 ( 0.095 1.718 2.335) 2.901 3.082 ( -0.456 0.610 1.657) 1.823 3.142 ( 0.886 2.769 1.038) 3.087 3.146 ( -2.757 0.757 0.143) 2.863 3.219 ( -2.779 -1.613 -0.576) 3.265 3.242 ( 1.633 1.417 -2.472) 3.284 3.253 ( -0.946 -0.171 -4.049) 4.162 3.310 ( 1.159 -2.588 1.687) 3.299 3.361 ( 2.058 -1.312 0.147) 2.445 3.409 ( 0.154 -3.168 0.644) 3.237 3.491 ( 3.362 -3.245 -1.246) 4.836 3.538 ( -1.689 -0.383 3.483) 3.890 3.630 ( 1.303 0.539 -0.460) 1.483 3.676 ( 3.041 0.314 0.794) 3.159 3.693 ( 3.519 -0.769 -2.507) 4.388 3.731 ( 0.225 -0.732 -1.701) 1.865 3.809 ( 3.413 -1.295 -2.528) 4.440 3.981 ( 0.077 1.874 0.761) 2.024 4.019 ( 2.498 2.693 -0.586) 3.720 4.104 ( -0.405 -2.490 0.443) 2.561 4.112 ( 0.318 -1.369 -0.001) 1.406 4.405 ( -6.301 2.337 -0.284) 6.726 4.428 ( -5.144 1.095 0.494) 5.282 4.549 ( 2.142 3.521 1.957) 4.563 4.621 ( 3.747 1.978 2.930) 5.151 4.727 ( -2.062 0.155 -0.835) 2.230 4.829 ( 2.251 0.438 -0.166) 2.300 4.876 ( -3.611 -2.834 -0.531) 4.621 4.951 ( -0.492 -2.589 2.461) 3.606 5.107 ( -0.059 3.122 -0.870) 3.241 5.151 ( 1.784 3.560 0.573) 4.023 5.342 ( -2.398 -0.868 -4.983) 5.597 5.417 ( 1.125 -2.791 1.186) 3.235 5.635 ( -0.915 -0.515 -2.938) 3.120 5.658 ( 0.337 -1.405 -1.346) 1.974 5.964 ( -0.419 1.647 -0.306) 1.727 5.976 ( 0.187 1.878 0.027) 1.888 6.059 ( -0.951 -1.296 1.134) 1.967 6.104 ( 1.299 -2.308 1.411) 3.001 6.443 ( 0.178 1.351 2.460) 2.812 6.541 ( 4.635 -2.422 -4.606) 6.969 8.065 ( -0.259 2.446 0.132) 2.463 8.158 ( 3.925 -0.673 -1.275) 4.181 8.414 ( -4.942 0.356 -0.458) 4.976 8.438 ( -4.415 0.037 -3.098) 5.394 8.526 ( -2.073 -0.081 -3.090) 3.722 8.543 ( -0.768 -0.545 1.589) 1.847 8.679 ( 2.110 1.335 4.035) 4.745 8.727 ( 4.040 -0.517 3.884) 5.628 9.001 ( -0.035 -0.292 -0.509) 0.587 9.003 ( 0.094 -0.372 -0.021) 0.384 ======================= Grid point 114 (64/75) ======================= q-point: ( 0.29 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -1.610 -0.435 1.186) 2.046 0.850 ( 0.549 -0.994 -0.240) 1.161 1.016 ( 0.203 -2.106 -3.984) 4.510 1.215 ( 1.724 -4.346 -2.834) 5.467 1.232 ( -5.874 -2.780 -1.132) 6.596 1.255 ( 2.310 -0.590 1.030) 2.597 1.340 ( -1.935 -4.031 -3.884) 5.923 1.394 ( -0.375 -0.576 4.099) 4.157 1.483 ( -0.850 -2.062 0.762) 2.356 1.560 ( 4.668 -5.868 0.704) 7.531 1.613 ( -5.558 3.868 -1.859) 7.022 1.718 ( 0.675 3.523 -0.445) 3.615 1.753 ( -2.007 2.412 -3.587) 4.766 1.816 ( 2.508 -1.372 -2.383) 3.721 1.865 ( 2.127 1.200 -1.252) 2.745 1.957 ( 2.966 -6.200 5.761) 8.968 2.075 ( 2.190 -0.057 0.283) 2.209 2.128 ( 0.807 4.683 1.291) 4.924 2.174 ( -1.161 -1.897 0.885) 2.394 2.280 ( -4.509 2.347 -2.225) 5.549 2.321 ( -2.952 -1.854 0.892) 3.598 2.383 ( -1.250 1.099 2.427) 2.943 2.414 ( -2.665 3.751 1.492) 4.838 2.490 ( -1.966 3.154 -1.295) 3.936 2.560 ( 0.109 -2.871 0.047) 2.874 2.580 ( -0.689 -3.222 1.547) 3.640 2.633 ( 3.156 0.085 0.779) 3.252 2.727 ( 1.693 -1.780 -0.970) 2.641 2.764 ( -0.763 2.129 4.320) 4.876 2.798 ( 0.247 -0.340 -2.693) 2.725 2.863 ( -2.657 3.194 0.351) 4.169 2.930 ( 1.034 2.507 3.334) 4.297 2.985 ( 1.977 1.097 1.592) 2.765 3.026 ( -1.454 -0.512 -0.677) 1.683 3.092 ( -2.414 4.491 4.108) 6.548 3.108 ( -0.907 -1.103 -1.005) 1.746 3.164 ( 0.563 2.804 2.028) 3.506 3.181 ( -0.026 -0.865 -0.861) 1.221 3.220 ( 0.680 -1.381 -1.758) 2.337 3.243 ( -0.275 0.548 0.708) 0.936 3.361 ( 1.934 -2.517 1.182) 3.387 3.400 ( 0.822 -1.233 0.891) 1.729 3.451 ( 3.722 -2.822 3.163) 5.641 3.508 ( 1.149 3.564 -0.830) 3.836 3.556 ( 1.067 -4.759 0.145) 4.879 3.635 ( 1.277 2.612 -3.803) 4.787 3.693 ( -1.217 -1.103 1.872) 2.491 3.737 ( 2.789 -1.254 -3.928) 4.978 3.756 ( 2.473 -0.584 1.346) 2.875 3.826 ( 1.467 -3.051 -3.358) 4.768 3.994 ( 0.330 2.017 0.864) 2.219 4.060 ( 2.062 2.691 0.201) 3.396 4.101 ( -1.041 -1.184 1.008) 1.871 4.119 ( 1.236 -0.592 -1.010) 1.702 4.328 ( -2.122 2.592 0.133) 3.352 4.350 ( -4.720 1.078 1.681) 5.125 4.594 ( -0.174 3.719 1.951) 4.203 4.623 ( -1.912 2.270 0.104) 2.969 4.757 ( 2.077 -2.502 1.494) 3.578 4.776 ( -2.798 -3.063 -3.020) 5.132 4.869 ( -0.444 1.573 0.087) 1.637 4.964 ( -0.143 -1.351 2.437) 2.790 5.114 ( 1.363 0.898 0.353) 1.670 5.180 ( 0.892 0.616 0.416) 1.162 5.274 ( 0.016 2.374 -4.082) 4.722 5.413 ( -1.219 -2.337 -1.505) 3.035 5.581 ( -0.885 -0.065 -4.198) 4.291 5.628 ( -1.034 -1.806 -3.179) 3.800 5.954 ( -0.245 1.905 -0.412) 1.964 5.975 ( -0.204 2.418 -0.307) 2.446 6.074 ( 0.254 -1.400 3.112) 3.422 6.147 ( 1.366 -2.974 2.098) 3.887 6.484 ( 1.152 1.090 2.657) 3.094 6.569 ( 3.293 -2.176 -3.893) 5.544 8.089 ( 2.258 3.995 1.107) 4.721 8.184 ( -0.005 0.950 -1.127) 1.474 8.317 ( -4.460 -0.309 -3.574) 5.723 8.370 ( 0.002 -2.043 0.054) 2.044 8.451 ( -2.464 0.510 -3.657) 4.440 8.529 ( -2.131 -1.561 0.797) 2.759 8.759 ( 2.098 1.173 4.179) 4.821 8.824 ( 1.985 -1.323 4.177) 4.810 8.998 ( 0.130 -0.041 -0.234) 0.271 9.002 ( -0.017 -0.178 -0.273) 0.326 ======================= Grid point 115 (65/75) ======================= q-point: (-0.57 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.791 -1.488 1.045) 1.982 0.853 ( 0.978 -3.301 -1.724) 3.850 1.007 ( 1.341 -1.036 -0.719) 1.841 1.114 ( -5.931 3.174 -2.496) 7.175 1.177 ( -2.011 -8.732 0.525) 8.976 1.248 ( 0.349 -5.759 -7.332) 9.330 1.360 ( 5.696 -3.705 -2.950) 7.408 1.413 ( -4.816 -2.518 1.009) 5.527 1.443 ( -0.349 2.332 3.817) 4.487 1.566 ( -1.009 1.596 0.330) 1.917 1.585 ( -0.010 -1.578 0.761) 1.752 1.695 ( -1.762 4.508 0.591) 4.876 1.744 ( 1.318 -0.050 -0.584) 1.442 1.808 ( -0.624 -1.929 -2.393) 3.137 1.909 ( 2.244 1.398 1.407) 2.995 2.016 ( -0.782 -2.813 -1.178) 3.148 2.130 ( -0.255 3.298 3.150) 4.568 2.141 ( 3.792 0.121 4.301) 5.735 2.185 ( -1.628 2.160 -2.779) 3.878 2.275 ( 3.183 -4.760 4.393) 7.217 2.317 ( -1.791 0.484 4.760) 5.109 2.386 ( -1.388 1.983 1.132) 2.672 2.394 ( -0.649 0.182 4.177) 4.231 2.454 ( -0.097 1.100 -0.906) 1.428 2.510 ( -1.161 -2.475 -2.088) 3.440 2.594 ( -0.384 -1.929 -1.616) 2.546 2.657 ( -0.320 2.281 -0.444) 2.346 2.720 ( -2.297 2.620 -4.219) 5.472 2.757 ( 2.679 1.231 1.201) 3.184 2.803 ( 0.191 2.053 -0.014) 2.062 2.826 ( -2.251 0.650 0.479) 2.391 2.930 ( -3.689 -0.922 -2.869) 4.763 3.028 ( 2.646 0.844 -0.721) 2.869 3.053 ( 0.939 3.120 2.432) 4.066 3.073 ( 0.334 0.180 3.706) 3.725 3.101 ( -0.604 0.486 2.849) 2.952 3.178 ( 1.473 -0.759 -2.303) 2.836 3.205 ( 1.004 -0.346 2.106) 2.358 3.217 ( -0.561 -0.329 -0.421) 0.775 3.252 ( 0.149 -0.209 1.156) 1.184 3.381 ( -1.628 -0.316 1.553) 2.272 3.409 ( 0.413 -2.080 0.369) 2.152 3.525 ( 1.117 4.577 -0.106) 4.712 3.558 ( 3.020 -1.150 2.188) 3.902 3.584 ( 1.164 -2.676 -0.244) 2.928 3.619 ( 3.262 3.519 -2.421) 5.374 3.691 ( -1.788 0.470 2.663) 3.242 3.731 ( 0.087 -2.888 -3.006) 4.169 3.764 ( -0.242 -3.443 -2.634) 4.342 3.804 ( 0.402 -2.755 -4.160) 5.006 4.014 ( 0.722 1.892 2.023) 2.862 4.084 ( -1.842 0.785 1.308) 2.392 4.090 ( 1.264 1.462 -0.425) 1.979 4.134 ( 2.090 -0.660 -2.390) 3.243 4.315 ( -1.598 1.581 2.234) 3.169 4.324 ( 0.811 1.905 0.139) 2.075 4.569 ( -1.225 0.761 0.787) 1.643 4.627 ( -1.156 1.243 1.251) 2.109 4.706 ( -1.974 -1.469 -0.818) 2.593 4.762 ( -1.201 -0.918 -2.111) 2.596 4.878 ( 0.401 2.092 2.895) 3.594 4.973 ( 0.212 -0.963 -1.434) 1.740 5.154 ( 1.706 -0.115 1.526) 2.292 5.204 ( 0.758 -1.324 2.446) 2.883 5.255 ( 1.041 3.495 -2.826) 4.613 5.357 ( -2.259 -1.001 -3.354) 4.166 5.541 ( 0.537 -0.828 -2.869) 3.034 5.571 ( -2.105 -1.769 -2.655) 3.822 5.951 ( 0.151 2.448 -0.147) 2.457 5.965 ( -0.413 2.943 -0.588) 3.030 6.119 ( 0.757 -1.830 3.837) 4.318 6.180 ( 0.779 -3.089 0.598) 3.241 6.519 ( -0.104 0.617 2.507) 2.584 6.578 ( 1.459 -1.633 -2.904) 3.637 8.146 ( 1.399 2.393 0.896) 2.913 8.179 ( 2.177 2.547 0.426) 3.377 8.224 ( -2.471 0.380 -2.407) 3.471 8.334 ( -3.834 2.836 -2.787) 5.524 8.437 ( 3.553 -4.325 -1.115) 5.707 8.488 ( -2.845 -2.529 -0.093) 3.808 8.827 ( 1.828 0.500 3.197) 3.717 8.864 ( -1.092 -0.892 2.698) 3.045 9.000 ( 0.200 -0.128 -0.045) 0.242 9.001 ( 0.343 -0.195 -0.299) 0.495 ======================= Grid point 116 (66/75) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -2.537 -0.541 2.582) 3.660 0.856 ( 0.897 -2.232 -3.149) 3.963 0.968 ( -6.440 1.566 3.362) 7.432 1.054 ( -0.264 -1.400 3.258) 3.556 1.165 ( 1.103 -4.306 -1.295) 4.630 1.248 ( 4.865 -11.203 -3.927) 12.829 1.317 ( -5.229 -3.157 1.062) 6.199 1.419 ( 4.756 -1.780 -0.907) 5.159 1.496 ( -3.129 1.694 0.051) 3.559 1.524 ( 2.519 1.499 3.296) 4.410 1.610 ( -5.905 3.027 0.258) 6.641 1.667 ( 0.904 -2.182 1.847) 2.998 1.724 ( -3.528 1.545 1.509) 4.137 1.803 ( 2.183 -0.606 -2.030) 3.042 1.952 ( 0.634 1.645 2.813) 3.320 1.973 ( -1.048 0.194 -3.397) 3.560 2.135 ( -0.544 1.201 2.359) 2.702 2.172 ( 1.727 0.555 -0.120) 1.818 2.223 ( -4.697 0.274 -1.433) 4.919 2.286 ( 3.207 0.568 3.401) 4.709 2.340 ( -3.027 -0.818 1.635) 3.536 2.385 ( 1.937 0.169 0.031) 1.945 2.443 ( 0.283 0.016 4.878) 4.886 2.470 ( -1.331 -1.512 -2.529) 3.233 2.518 ( -0.063 -2.062 -2.276) 3.071 2.528 ( 1.803 -2.447 -0.216) 3.047 2.637 ( -1.449 2.007 1.594) 2.944 2.669 ( -0.280 1.159 -1.110) 1.629 2.797 ( 0.305 2.428 -0.925) 2.616 2.812 ( -0.380 1.299 0.925) 1.640 2.841 ( -0.819 1.245 -2.654) 3.043 2.863 ( 6.779 1.020 1.879) 7.108 2.997 ( -4.071 5.050 0.894) 6.548 3.078 ( 2.969 1.194 -1.921) 3.733 3.118 ( -0.526 -1.616 3.254) 3.671 3.145 ( -0.069 -2.557 -0.249) 2.570 3.168 ( -1.580 -1.650 -2.043) 3.065 3.214 ( 2.744 0.538 -1.244) 3.061 3.227 ( -1.399 -0.590 0.478) 1.592 3.269 ( 2.516 0.365 -0.048) 2.543 3.372 ( -1.386 0.801 3.137) 3.521 3.414 ( 0.503 -1.443 -0.760) 1.706 3.530 ( -1.648 3.873 1.178) 4.371 3.555 ( -0.540 2.749 -2.903) 4.035 3.606 ( -0.938 -0.872 0.958) 1.600 3.638 ( -0.774 -0.454 -2.865) 3.002 3.668 ( -2.877 -2.394 1.007) 3.877 3.725 ( 2.064 -0.831 1.924) 2.941 3.766 ( 3.230 -3.791 -2.380) 5.520 3.772 ( 0.860 -0.866 -3.762) 3.955 4.053 ( 0.482 1.299 1.945) 2.388 4.055 ( -0.958 1.150 -0.954) 1.775 4.101 ( -0.062 1.141 0.346) 1.194 4.139 ( 1.590 -0.123 -3.275) 3.643 4.313 ( -0.991 1.797 1.406) 2.487 4.346 ( 1.806 1.079 -0.646) 2.201 4.595 ( -0.825 -0.820 -1.473) 1.876 4.595 ( 1.764 -0.806 3.058) 3.621 4.700 ( -1.114 1.173 2.914) 3.333 4.720 ( -1.204 0.314 -0.728) 1.441 4.920 ( 0.905 0.859 3.202) 3.437 4.948 ( -0.013 -0.147 -3.729) 3.732 5.191 ( -0.228 1.138 1.602) 1.978 5.202 ( -0.931 1.185 -1.748) 2.308 5.280 ( -2.597 -0.510 -3.743) 4.584 5.287 ( 2.351 -1.073 3.249) 4.152 5.516 ( -2.006 -0.794 -0.411) 2.196 5.546 ( 1.442 -1.923 -0.192) 2.411 5.952 ( -0.298 2.859 -0.330) 2.893 5.957 ( 0.494 2.910 0.089) 2.953 6.161 ( 0.310 -2.536 2.399) 3.504 6.181 ( -0.007 -2.592 -1.764) 3.135 6.527 ( -1.673 0.375 2.364) 2.920 6.564 ( -0.411 -1.091 -2.056) 2.363 8.163 ( 0.034 0.244 -0.083) 0.260 8.179 ( 1.045 -0.229 -1.492) 1.836 8.242 ( -2.420 3.660 -2.943) 5.283 8.274 ( 4.454 4.723 2.957) 7.133 8.424 ( -3.694 -3.389 0.144) 5.015 8.501 ( 4.000 -3.819 -1.261) 5.672 8.849 ( -2.276 0.351 0.892) 2.470 8.881 ( 1.562 -0.860 1.326) 2.222 9.001 ( 0.121 -0.225 -0.243) 0.353 9.003 ( 0.051 -0.255 -0.295) 0.394 ======================= Grid point 117 (67/75) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -3.247 2.087 5.666) 6.856 0.804 ( -5.422 2.542 4.561) 7.527 0.974 ( 4.767 -2.840 -0.994) 5.637 1.114 ( 2.321 -3.479 4.643) 6.249 1.208 ( 1.770 -0.328 4.709) 5.041 1.240 ( -5.217 -7.213 -0.629) 8.924 1.300 ( 3.323 -8.187 -0.299) 8.841 1.422 ( -3.025 4.059 2.872) 5.820 1.513 ( 3.572 -3.031 0.666) 4.732 1.543 ( -1.220 3.232 -1.183) 3.652 1.584 ( -1.258 -2.953 -0.036) 3.210 1.640 ( -2.471 2.620 5.605) 6.662 1.713 ( -0.166 0.999 1.070) 1.473 1.808 ( -0.387 -0.833 -0.916) 1.297 1.918 ( -0.942 2.071 -4.891) 5.394 1.993 ( 0.010 0.771 3.788) 3.866 2.078 ( -4.380 -0.907 -3.990) 5.994 2.177 ( -0.616 1.869 -2.303) 3.029 2.191 ( -0.182 -1.284 1.518) 1.997 2.276 ( -1.011 -1.805 -2.224) 3.037 2.363 ( -0.317 2.875 4.531) 5.376 2.374 ( -0.618 0.108 -1.931) 2.030 2.424 ( -0.237 -3.147 1.111) 3.346 2.474 ( 0.523 1.703 -2.377) 2.970 2.520 ( 4.581 -3.356 2.039) 6.034 2.590 ( 0.294 -2.539 1.260) 2.849 2.661 ( 0.334 -1.664 0.103) 1.700 2.671 ( 0.477 -0.008 2.043) 2.098 2.777 ( -0.072 3.526 -1.291) 3.756 2.817 ( 1.877 5.055 -0.677) 5.434 2.878 ( 2.536 0.494 0.472) 2.627 2.946 ( -0.742 2.213 1.506) 2.778 2.997 ( 3.035 1.185 1.253) 3.491 3.046 ( -3.273 1.790 -4.034) 5.494 3.076 ( -1.600 -0.176 -1.479) 2.186 3.144 ( 0.419 -0.687 1.081) 1.348 3.164 ( 0.962 0.127 -0.657) 1.172 3.205 ( 0.409 -2.206 -1.118) 2.507 3.233 ( -0.009 1.433 -1.923) 2.398 3.294 ( 1.468 -0.540 -2.744) 3.159 3.371 ( -1.593 0.420 1.116) 1.989 3.418 ( -0.238 -1.939 -0.379) 1.989 3.471 ( -5.271 -0.109 0.347) 5.283 3.526 ( -3.116 -0.993 0.835) 3.375 3.538 ( -0.147 2.644 -2.781) 3.840 3.616 ( 0.964 -0.760 -2.257) 2.569 3.686 ( 0.068 -0.714 2.311) 2.419 3.736 ( -0.011 -0.283 -0.990) 1.029 3.764 ( -0.164 -0.166 -0.715) 0.752 3.800 ( 1.269 -2.133 -1.393) 2.846 4.019 ( -0.739 1.538 -1.729) 2.429 4.067 ( -1.145 1.521 0.137) 1.909 4.098 ( -0.484 0.282 0.001) 0.559 4.136 ( 1.423 0.196 -2.018) 2.477 4.319 ( 0.884 2.461 1.168) 2.864 4.380 ( 3.510 0.143 -1.116) 3.686 4.599 ( 1.447 0.701 0.321) 1.640 4.640 ( -0.085 1.317 -0.153) 1.328 4.693 ( -1.654 -1.050 4.471) 4.881 4.738 ( 0.636 -1.548 2.896) 3.345 4.905 ( -0.575 1.523 -3.292) 3.673 4.970 ( 1.373 -0.446 2.018) 2.481 5.138 ( -2.118 0.585 -2.167) 3.087 5.204 ( -2.283 -0.158 -2.167) 3.151 5.212 ( -0.528 2.124 2.046) 2.996 5.367 ( 2.940 -2.893 3.287) 5.275 5.512 ( 0.609 0.493 2.388) 2.513 5.578 ( 1.268 -2.123 1.633) 2.963 5.949 ( 0.086 2.475 0.066) 2.478 5.969 ( 0.488 2.486 0.268) 2.548 6.145 ( -0.701 -2.069 -3.314) 3.969 6.174 ( -0.453 -2.965 -0.320) 3.017 6.509 ( -2.822 0.258 2.140) 3.551 6.528 ( -1.466 -0.482 -1.591) 2.216 8.123 ( -2.010 2.238 -2.189) 3.721 8.186 ( 0.486 0.162 -1.441) 1.530 8.260 ( 3.899 1.036 1.949) 4.481 8.374 ( -1.195 -2.978 -0.090) 3.210 8.379 ( 3.975 3.572 3.210) 6.234 8.550 ( 2.984 -2.896 -1.278) 4.350 8.807 ( -2.701 1.167 -0.650) 3.013 8.886 ( -1.324 -1.879 -1.770) 2.901 8.997 ( -0.297 0.031 -0.150) 0.334 9.004 ( 0.649 -0.230 -0.468) 0.833 ======================= Grid point 118 (68/75) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -3.754 0.825 7.068) 8.045 0.813 ( 0.094 1.900 4.876) 5.234 1.065 ( 4.602 -2.280 -0.715) 5.185 1.131 ( -1.356 -4.191 1.109) 4.542 1.222 ( 0.524 -0.191 4.929) 4.961 1.261 ( -3.623 -4.907 5.185) 8.005 1.354 ( 1.935 -4.081 0.175) 4.520 1.429 ( 0.377 0.654 1.725) 1.883 1.470 ( -1.291 -2.271 -2.089) 3.345 1.528 ( 1.184 -2.011 -2.866) 3.696 1.658 ( 3.880 -1.259 5.463) 6.818 1.690 ( -0.791 0.723 6.406) 6.495 1.718 ( 0.322 0.571 2.784) 2.860 1.772 ( -1.709 0.846 -1.887) 2.683 1.845 ( -1.343 3.473 -4.065) 5.513 1.952 ( -3.861 -0.644 -2.824) 4.826 2.034 ( -0.219 0.237 0.864) 0.922 2.132 ( -2.024 4.438 -3.730) 6.140 2.208 ( 3.839 -2.759 3.085) 5.645 2.283 ( -1.101 1.568 4.507) 4.897 2.357 ( -0.632 0.560 0.603) 1.038 2.411 ( 2.535 -2.083 0.164) 3.285 2.431 ( -0.616 1.402 3.356) 3.689 2.513 ( 3.005 0.082 0.313) 3.022 2.580 ( -2.280 -3.643 -2.226) 4.840 2.594 ( -1.948 0.498 -3.439) 3.984 2.607 ( 2.449 -3.965 -0.465) 4.684 2.688 ( -0.107 -1.410 0.925) 1.689 2.783 ( -1.111 2.019 -0.255) 2.318 2.818 ( 0.388 3.598 -3.208) 4.836 2.903 ( 2.175 3.115 0.913) 3.908 2.942 ( -2.055 2.423 -3.550) 4.765 2.993 ( 1.485 -0.282 -0.269) 1.536 3.022 ( 0.067 -0.720 1.884) 2.018 3.080 ( -1.696 0.194 2.628) 3.133 3.126 ( -1.143 1.851 -0.019) 2.175 3.184 ( 0.205 1.657 -1.378) 2.165 3.192 ( 0.431 2.280 -2.213) 3.206 3.220 ( 0.944 0.668 0.498) 1.259 3.287 ( 2.134 -1.827 -4.384) 5.207 3.337 ( -1.143 -2.817 -0.994) 3.199 3.374 ( -2.265 -0.280 -0.836) 2.430 3.417 ( -2.493 -0.907 0.958) 2.821 3.482 ( -1.782 -3.312 -0.630) 3.814 3.547 ( 0.543 2.866 1.122) 3.126 3.614 ( 0.904 -2.593 -1.807) 3.287 3.682 ( -1.506 -0.375 0.025) 1.552 3.709 ( -3.110 -0.383 -1.539) 3.491 3.752 ( 1.768 0.159 -1.936) 2.627 3.784 ( -1.054 -0.950 -1.048) 1.764 3.999 ( 0.000 1.617 -1.371) 2.120 4.027 ( -2.337 2.600 -0.923) 3.616 4.089 ( -0.439 -0.938 0.388) 1.106 4.139 ( 0.242 -1.013 -1.174) 1.569 4.380 ( 4.400 2.814 2.156) 5.651 4.437 ( 3.332 0.142 -0.289) 3.347 4.580 ( -3.028 1.980 -1.138) 3.792 4.644 ( -2.781 1.606 0.636) 3.274 4.697 ( 0.610 -0.616 2.757) 2.890 4.790 ( 1.478 -1.131 2.855) 3.408 4.876 ( -0.236 0.782 -0.681) 1.064 4.983 ( -0.868 -2.415 -0.367) 2.592 5.103 ( -0.106 1.797 -0.795) 1.968 5.165 ( -1.394 2.483 -0.763) 2.948 5.251 ( 2.639 0.789 3.859) 4.741 5.431 ( 1.932 -4.184 0.134) 4.610 5.570 ( 2.255 0.410 3.297) 4.015 5.621 ( 1.558 -1.991 2.233) 3.373 5.956 ( 0.383 1.793 0.396) 1.875 5.977 ( 0.186 2.027 0.114) 2.039 6.101 ( -0.579 -1.656 -2.936) 3.420 6.141 ( -1.916 -2.554 -1.950) 3.741 6.474 ( -3.227 0.327 1.830) 3.724 6.498 ( 0.471 -0.516 -2.303) 2.407 8.087 ( 0.407 1.637 -1.905) 2.545 8.154 ( -2.816 -0.609 -0.988) 3.046 8.363 ( 4.597 0.729 3.386) 5.756 8.407 ( 4.289 -1.073 0.910) 4.514 8.466 ( 2.733 2.182 2.679) 4.406 8.576 ( 1.473 -1.987 -1.594) 2.943 8.740 ( -3.684 1.408 -1.882) 4.370 8.799 ( -5.449 -0.785 -3.321) 6.430 8.994 ( -0.012 0.023 0.171) 0.173 9.009 ( 0.387 -0.559 -0.614) 0.916 ======================= Grid point 119 (69/75) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.636 -0.798 3.430) 3.883 0.793 ( -1.636 0.798 3.430) 3.883 1.133 ( -0.717 -1.802 3.801) 4.267 1.133 ( -0.717 1.802 3.801) 4.267 1.174 ( 0.625 -0.314 -1.767) 1.900 1.174 ( 0.625 0.314 -1.767) 1.900 1.374 ( 0.275 -2.089 2.272) 3.098 1.374 ( 0.275 2.089 2.272) 3.098 1.475 ( -1.381 -1.816 -2.375) 3.294 1.475 ( -1.381 1.816 -2.375) 3.294 1.659 ( -0.256 -0.670 0.681) 0.989 1.659 ( -0.256 0.670 0.681) 0.989 1.767 ( 1.878 -0.957 -0.713) 2.225 1.767 ( 1.878 0.957 -0.713) 2.225 1.919 ( -0.025 -0.849 0.875) 1.220 1.919 ( -0.025 0.849 0.875) 1.220 2.154 ( 1.189 -2.650 -0.143) 2.908 2.154 ( 1.189 2.650 -0.143) 2.908 2.303 ( -0.165 -3.955 5.027) 6.398 2.303 ( -0.165 3.955 5.027) 6.398 2.341 ( -0.250 -2.516 3.949) 4.689 2.341 ( -0.250 2.516 3.949) 4.689 2.481 ( -2.922 -2.545 -1.185) 4.051 2.481 ( -2.922 2.545 -1.185) 4.051 2.533 ( 1.447 -2.421 -4.902) 5.656 2.533 ( 1.447 2.421 -4.902) 5.656 2.676 ( 2.839 -3.457 3.969) 5.980 2.676 ( 2.839 3.457 3.969) 5.980 2.770 ( -2.789 -1.995 -3.795) 5.115 2.770 ( -2.789 1.995 -3.795) 5.115 2.934 ( -1.890 -1.440 0.441) 2.417 2.934 ( -1.890 1.440 0.441) 2.417 3.014 ( -0.520 -1.812 -0.602) 1.979 3.014 ( -0.520 1.812 -0.602) 1.979 3.113 ( 0.964 -0.747 2.388) 2.682 3.113 ( 0.964 0.747 2.388) 2.682 3.224 ( -0.058 -1.548 -1.150) 1.929 3.224 ( -0.058 1.548 -1.150) 1.929 3.263 ( 0.768 -0.930 -1.647) 2.041 3.263 ( 0.768 0.930 -1.647) 2.041 3.291 ( -0.745 -2.275 -1.669) 2.919 3.291 ( -0.745 2.275 -1.669) 2.919 3.385 ( -0.995 -1.192 1.851) 2.416 3.385 ( -0.995 1.192 1.851) 2.416 3.597 ( 1.657 -2.739 -3.494) 4.739 3.597 ( 1.657 2.739 -3.494) 4.739 3.654 ( -1.279 -1.775 1.772) 2.815 3.654 ( -1.279 1.775 1.772) 2.815 3.753 ( 1.909 -1.067 -3.316) 3.972 3.753 ( 1.909 1.067 -3.316) 3.972 4.028 ( -0.396 -0.712 0.575) 0.997 4.028 ( -0.396 0.712 0.575) 0.997 4.073 ( -0.406 -1.358 -0.949) 1.706 4.073 ( -0.406 1.358 -0.949) 1.706 4.503 ( 1.112 -0.520 1.426) 1.881 4.503 ( 1.112 0.520 1.426) 1.881 4.555 ( -2.539 -1.328 0.824) 2.982 4.555 ( -2.539 1.328 0.824) 2.982 4.823 ( 2.441 -2.735 2.163) 4.256 4.823 ( 2.441 2.735 2.163) 4.256 4.865 ( -2.919 -2.955 -0.631) 4.202 4.865 ( -2.919 2.955 -0.631) 4.202 5.181 ( 0.715 -1.059 0.165) 1.288 5.181 ( 0.715 1.059 0.165) 1.288 5.347 ( 0.885 -2.384 -0.304) 2.561 5.347 ( 0.885 2.384 -0.304) 2.561 5.631 ( 1.238 -0.571 0.864) 1.614 5.631 ( 1.238 0.571 0.864) 1.614 6.001 ( 0.058 -0.846 0.521) 0.996 6.001 ( 0.058 0.846 0.521) 0.996 6.054 ( -0.674 -0.989 -1.366) 1.816 6.054 ( -0.674 0.989 -1.366) 1.816 6.468 ( 0.347 -1.622 -0.653) 1.782 6.468 ( 0.347 1.622 -0.653) 1.782 8.103 ( 0.482 -0.408 -1.113) 1.280 8.103 ( 0.482 0.408 -1.113) 1.280 8.477 ( 1.936 -0.822 1.520) 2.595 8.477 ( 1.936 0.822 1.520) 2.595 8.544 ( 0.403 -1.318 -0.193) 1.391 8.544 ( 0.403 1.318 -0.193) 1.391 8.681 ( -3.109 -0.255 -0.663) 3.189 8.681 ( -3.109 0.255 -0.663) 3.189 8.997 ( 0.137 -0.215 -0.287) 0.384 8.997 ( 0.137 0.215 -0.287) 0.384 ======================= Grid point 121 (70/75) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.070 -0.651 2.837) 2.911 0.823 ( 0.070 0.651 2.837) 2.911 1.074 ( -0.694 -2.520 -1.808) 3.178 1.074 ( -0.694 2.520 -1.808) 3.178 1.269 ( -0.234 -2.701 0.605) 2.778 1.269 ( -0.234 2.701 0.605) 2.778 1.334 ( 0.760 -1.857 1.099) 2.287 1.334 ( 0.760 1.857 1.099) 2.287 1.449 ( -2.077 -2.650 1.236) 3.587 1.449 ( -2.077 2.650 1.236) 3.587 1.697 ( 3.292 -2.085 0.635) 3.949 1.697 ( 3.292 2.085 0.635) 3.949 1.784 ( 1.543 -3.041 -2.304) 4.116 1.784 ( 1.543 3.041 -2.304) 4.116 1.896 ( -2.717 -1.959 -0.635) 3.409 1.896 ( -2.717 1.959 -0.635) 3.409 2.138 ( -1.982 -2.978 -1.613) 3.924 2.138 ( -1.982 2.978 -1.613) 3.924 2.273 ( -3.211 -3.968 0.445) 5.124 2.273 ( -3.211 3.968 0.445) 5.124 2.386 ( 0.091 -0.323 1.908) 1.938 2.386 ( 0.091 0.323 1.908) 1.938 2.469 ( -0.476 -3.906 2.250) 4.533 2.469 ( -0.476 3.906 2.250) 4.533 2.549 ( 3.759 -2.914 -1.330) 4.939 2.549 ( 3.759 2.914 -1.330) 4.939 2.668 ( -2.851 -5.184 -4.677) 7.542 2.668 ( -2.851 5.184 -4.677) 7.542 2.758 ( 1.133 -2.390 4.799) 5.479 2.758 ( 1.133 2.390 4.799) 5.479 2.936 ( 0.020 -0.922 2.011) 2.213 2.936 ( 0.020 0.922 2.011) 2.213 3.002 ( -0.957 -3.024 1.738) 3.617 3.002 ( -0.957 3.024 1.738) 3.617 3.114 ( -0.766 -3.770 -0.456) 3.874 3.114 ( -0.766 3.770 -0.456) 3.874 3.204 ( -1.629 -2.948 -0.952) 3.500 3.204 ( -1.629 2.948 -0.952) 3.500 3.246 ( -0.295 -2.905 -0.771) 3.020 3.246 ( -0.295 2.905 -0.771) 3.020 3.322 ( 3.079 -4.002 1.017) 5.150 3.322 ( 3.079 4.002 1.017) 5.150 3.384 ( -0.285 -2.587 1.403) 2.957 3.384 ( -0.285 2.587 1.403) 2.957 3.604 ( 2.064 -3.746 -2.286) 4.849 3.604 ( 2.064 3.746 -2.286) 4.849 3.672 ( 1.286 -1.596 1.449) 2.510 3.672 ( 1.286 1.596 1.449) 2.510 3.763 ( 2.607 -2.675 -3.165) 4.896 3.763 ( 2.607 2.675 -3.165) 4.896 4.035 ( 0.416 -2.744 0.604) 2.841 4.035 ( 0.416 2.744 0.604) 2.841 4.077 ( 1.078 -1.831 0.434) 2.169 4.077 ( 1.078 1.831 0.434) 2.169 4.436 ( -5.465 -0.567 0.351) 5.506 4.436 ( -5.465 0.567 0.351) 5.506 4.620 ( 4.108 -2.329 2.054) 5.150 4.620 ( 4.108 2.329 2.054) 5.150 4.782 ( -4.471 -4.442 -1.362) 6.448 4.782 ( -4.471 4.442 -1.362) 6.448 4.882 ( 1.017 -3.293 2.243) 4.112 4.882 ( 1.017 3.293 2.243) 4.112 5.176 ( -0.565 -2.050 -1.146) 2.416 5.176 ( -0.565 2.050 -1.146) 2.416 5.352 ( 0.754 -2.462 -1.346) 2.905 5.352 ( 0.754 2.462 -1.346) 2.905 5.633 ( -0.267 -0.621 -2.091) 2.198 5.633 ( -0.267 0.621 -2.091) 2.198 6.002 ( -0.215 -1.123 -0.052) 1.145 6.002 ( -0.215 1.123 -0.052) 1.145 6.049 ( 0.323 -1.976 0.986) 2.232 6.049 ( 0.323 1.976 0.986) 2.232 6.485 ( 2.039 -2.488 -0.435) 3.246 6.485 ( 2.039 2.488 -0.435) 3.246 8.123 ( 2.890 -2.573 -0.882) 3.969 8.123 ( 2.890 2.573 -0.882) 3.969 8.429 ( -5.371 -0.817 -2.126) 5.834 8.429 ( -5.371 0.817 -2.126) 5.834 8.531 ( -1.379 -0.532 -0.568) 1.583 8.531 ( -1.379 0.532 -0.568) 1.583 8.709 ( 2.648 -1.249 3.945) 4.913 8.709 ( 2.648 1.249 3.945) 4.913 8.997 ( 0.189 -0.051 -0.265) 0.329 8.997 ( 0.189 0.051 -0.265) 0.329 ======================= Grid point 123 (71/75) ======================= q-point: ( 0.29 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -2.315 -1.096 2.007) 3.254 0.822 ( -2.315 1.096 2.007) 3.254 1.061 ( 0.122 -6.037 -3.281) 6.872 1.061 ( 0.122 6.037 -3.281) 6.872 1.203 ( 0.155 -1.474 -4.048) 4.311 1.203 ( 0.155 1.474 -4.048) 4.311 1.393 ( -5.070 -2.651 3.390) 6.650 1.393 ( -5.070 2.651 3.390) 6.650 1.450 ( 4.529 -3.547 0.995) 5.838 1.450 ( 4.529 3.547 0.995) 5.838 1.722 ( 0.331 -4.401 -5.066) 6.719 1.722 ( 0.331 4.401 -5.066) 6.719 1.782 ( -0.470 -0.309 -0.175) 0.589 1.782 ( -0.470 0.309 -0.175) 0.589 1.878 ( 1.215 -0.698 4.221) 4.448 1.878 ( 1.215 0.698 4.221) 4.448 2.095 ( 0.401 -2.170 -0.287) 2.225 2.095 ( 0.401 2.170 -0.287) 2.225 2.249 ( -2.163 -4.254 2.210) 5.260 2.249 ( -2.163 4.254 2.210) 5.260 2.371 ( -2.260 -4.155 -2.278) 5.250 2.371 ( -2.260 4.155 -2.278) 5.250 2.477 ( -1.140 -3.011 4.062) 5.183 2.477 ( -1.140 3.011 4.062) 5.183 2.541 ( -0.749 -0.089 -4.454) 4.517 2.541 ( -0.749 0.089 -4.454) 4.517 2.666 ( 3.881 -2.774 -0.199) 4.775 2.666 ( 3.881 2.774 -0.199) 4.775 2.803 ( -0.126 -0.418 3.136) 3.167 2.803 ( -0.126 0.418 3.136) 3.167 2.921 ( -2.697 -1.500 0.966) 3.233 2.921 ( -2.697 1.500 0.966) 3.233 3.030 ( 0.338 -2.034 1.693) 2.668 3.030 ( 0.338 2.034 1.693) 2.668 3.112 ( 0.796 -4.120 -0.110) 4.197 3.112 ( 0.796 4.120 -0.110) 4.197 3.173 ( -0.279 -2.424 -1.222) 2.729 3.173 ( -0.279 2.424 -1.222) 2.729 3.234 ( -0.878 -2.633 0.739) 2.872 3.234 ( -0.878 2.633 0.739) 2.872 3.358 ( -0.055 -2.244 2.548) 3.396 3.358 ( -0.055 2.244 2.548) 3.396 3.442 ( 4.042 -3.022 1.930) 5.403 3.442 ( 4.042 3.022 1.930) 5.403 3.620 ( 2.127 -4.539 -1.590) 5.259 3.620 ( 2.127 4.539 -1.590) 5.259 3.706 ( 1.750 -2.283 -0.806) 2.987 3.706 ( 1.750 2.283 -0.806) 2.987 3.765 ( 0.129 -1.911 -2.221) 2.933 3.765 ( 0.129 1.911 -2.221) 2.933 4.049 ( 0.382 -2.848 0.765) 2.974 4.049 ( 0.382 2.848 0.765) 2.974 4.104 ( 1.109 -1.422 0.352) 1.837 4.104 ( 1.109 1.422 0.352) 1.837 4.362 ( -3.369 -0.379 1.035) 3.545 4.362 ( -3.369 0.379 1.035) 3.545 4.679 ( -2.814 -0.540 -1.043) 3.049 4.679 ( -2.814 0.540 -1.043) 3.049 4.701 ( 0.678 -1.680 0.384) 1.852 4.701 ( 0.678 1.680 0.384) 1.852 4.916 ( 0.453 -2.717 2.198) 3.524 4.916 ( 0.453 2.717 2.198) 3.524 5.155 ( -0.104 -2.212 -0.895) 2.388 5.155 ( -0.104 2.212 -0.895) 2.388 5.347 ( 0.482 -3.682 -2.235) 4.335 5.347 ( 0.482 3.682 -2.235) 4.335 5.592 ( -1.081 -1.254 -3.616) 3.977 5.592 ( -1.081 1.254 -3.616) 3.977 5.999 ( -0.012 -1.506 0.012) 1.506 5.999 ( -0.012 1.506 0.012) 1.506 6.075 ( 0.768 -2.830 2.127) 3.623 6.075 ( 0.768 2.830 2.127) 3.623 6.519 ( 1.941 -2.214 -0.126) 2.947 6.519 ( 1.941 2.214 -0.126) 2.947 8.175 ( 3.509 -2.795 -1.053) 4.608 8.175 ( 3.509 2.795 -1.053) 4.608 8.320 ( -3.999 -1.243 -1.468) 4.438 8.320 ( -3.999 1.243 -1.468) 4.438 8.487 ( -2.775 -2.222 -1.063) 3.711 8.487 ( -2.775 2.222 -1.063) 3.711 8.790 ( 1.822 -1.669 4.061) 4.754 8.790 ( 1.822 1.669 4.061) 4.754 8.998 ( 0.169 -0.103 -0.234) 0.307 8.998 ( 0.169 0.103 -0.234) 0.307 ======================= Grid point 125 (72/75) ======================= q-point: (-0.57 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.732 -0.962 0.147) 1.218 0.802 ( -0.732 0.962 0.147) 1.218 1.033 ( -0.870 -3.957 0.587) 4.093 1.033 ( -0.870 3.957 0.587) 4.093 1.158 ( -1.132 -1.754 -6.681) 7.000 1.158 ( -1.132 1.754 -6.681) 7.000 1.350 ( -0.372 -3.037 0.178) 3.065 1.350 ( -0.372 3.037 0.178) 3.065 1.509 ( 0.267 -3.359 2.599) 4.256 1.509 ( 0.267 3.359 2.599) 4.256 1.656 ( -2.368 -5.355 -3.287) 6.715 1.656 ( -2.368 5.355 -3.287) 6.715 1.777 ( 0.509 -2.147 0.461) 2.255 1.777 ( 0.509 2.147 0.461) 2.255 1.952 ( 1.060 -2.759 3.815) 4.826 1.952 ( 1.060 2.759 3.815) 4.826 2.178 ( 2.875 -3.153 2.200) 4.801 2.178 ( 2.875 3.153 2.200) 4.801 2.207 ( -0.942 -2.995 1.973) 3.708 2.207 ( -0.942 2.995 1.973) 3.708 2.350 ( 1.089 -3.769 2.104) 4.452 2.350 ( 1.089 3.769 2.104) 4.452 2.432 ( -4.176 -1.811 -1.325) 4.741 2.432 ( -4.176 1.811 -1.325) 4.741 2.531 ( 0.437 -2.810 -0.959) 3.001 2.531 ( 0.437 2.810 -0.959) 3.001 2.712 ( 2.243 -2.025 -3.066) 4.305 2.712 ( 2.243 2.025 -3.066) 4.305 2.812 ( -1.516 -2.198 2.087) 3.388 2.812 ( -1.516 2.198 2.087) 3.388 2.878 ( -2.306 -3.846 -0.479) 4.510 2.878 ( -2.306 3.846 -0.479) 4.510 3.040 ( 1.012 -1.544 1.296) 2.255 3.040 ( 1.012 1.544 1.296) 2.255 3.119 ( -0.466 -1.483 -0.323) 1.588 3.119 ( -0.466 1.483 -0.323) 1.588 3.187 ( 2.901 -1.234 -0.617) 3.212 3.187 ( 2.901 1.234 -0.617) 3.212 3.224 ( -1.916 -2.002 1.429) 3.118 3.224 ( -1.916 2.002 1.429) 3.118 3.386 ( -0.004 -0.459 2.844) 2.880 3.386 ( -0.004 0.459 2.844) 2.880 3.526 ( 2.617 -0.897 2.728) 3.885 3.526 ( 2.617 0.897 2.728) 3.885 3.646 ( 3.088 -4.725 -3.032) 6.408 3.646 ( 3.088 4.725 -3.032) 6.408 3.701 ( -1.874 -1.236 -1.285) 2.587 3.701 ( -1.874 1.236 -1.285) 2.587 3.733 ( 0.131 -3.761 -2.297) 4.409 3.733 ( 0.131 3.761 -2.297) 4.409 4.062 ( -0.008 -2.233 1.375) 2.623 4.062 ( -0.008 2.233 1.375) 2.623 4.117 ( 0.814 -1.086 -0.775) 1.563 4.117 ( 0.814 1.086 -0.775) 1.563 4.344 ( -0.346 -0.455 1.020) 1.169 4.344 ( -0.346 0.455 1.020) 1.169 4.606 ( -2.663 -2.330 -0.961) 3.667 4.606 ( -2.663 2.330 -0.961) 3.667 4.724 ( 0.057 -2.228 0.604) 2.310 4.724 ( 0.057 2.228 0.604) 2.310 4.934 ( 0.181 -2.643 0.446) 2.687 4.934 ( 0.181 2.643 0.446) 2.687 5.172 ( 1.205 -1.488 2.312) 3.001 5.172 ( 1.205 1.488 2.312) 3.001 5.321 ( -0.490 -2.455 -3.541) 4.336 5.321 ( -0.490 2.455 -3.541) 4.336 5.539 ( -1.124 -0.852 -2.737) 3.079 5.539 ( -1.124 0.852 -2.737) 3.079 6.001 ( 0.074 -1.126 0.103) 1.133 6.001 ( 0.074 1.126 0.103) 1.133 6.109 ( 0.777 -2.358 1.720) 3.021 6.109 ( 0.777 2.358 1.720) 3.021 6.542 ( 0.599 -1.520 0.072) 1.635 6.542 ( 0.599 1.520 0.072) 1.635 8.185 ( -0.392 -1.312 -1.916) 2.355 8.185 ( -0.392 1.312 -1.916) 2.355 8.310 ( 2.914 -5.913 0.841) 6.645 8.310 ( 2.914 5.913 0.841) 6.645 8.418 ( -3.501 -3.608 -1.675) 5.299 8.418 ( -3.501 3.608 -1.675) 5.299 8.843 ( 0.453 -0.944 2.887) 3.071 8.843 ( 0.453 0.944 2.887) 3.071 8.999 ( 0.147 -0.028 -0.247) 0.289 8.999 ( 0.147 0.028 -0.247) 0.289 ======================= Grid point 127 (73/75) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 2.512 -1.605 -0.930) 3.122 0.813 ( 2.512 1.605 -0.930) 3.122 1.026 ( -1.943 -4.306 0.781) 4.788 1.026 ( -1.943 4.306 0.781) 4.788 1.080 ( -2.827 -3.334 1.353) 4.576 1.080 ( -2.827 3.334 1.353) 4.576 1.356 ( 1.625 -4.385 -1.659) 4.962 1.356 ( 1.625 4.385 -1.659) 4.962 1.526 ( -0.848 -1.347 1.831) 2.426 1.526 ( -0.848 1.347 1.831) 2.426 1.619 ( 0.159 -1.140 0.571) 1.285 1.619 ( 0.159 1.140 0.571) 1.285 1.777 ( -1.491 -2.342 -0.022) 2.776 1.777 ( -1.491 2.342 -0.022) 2.776 1.981 ( -0.502 -0.647 1.231) 1.478 1.981 ( -0.502 0.647 1.231) 1.478 2.154 ( -0.266 -0.607 1.687) 1.813 2.154 ( -0.266 0.607 1.687) 1.813 2.277 ( -2.852 -2.241 -1.778) 4.040 2.277 ( -2.852 2.241 -1.778) 4.040 2.350 ( 1.679 -1.703 2.929) 3.781 2.350 ( 1.679 1.703 2.929) 3.781 2.462 ( 1.847 -1.466 0.356) 2.385 2.462 ( 1.847 1.466 0.356) 2.385 2.477 ( -1.718 -0.607 -0.767) 1.977 2.477 ( -1.718 0.607 -0.767) 1.977 2.679 ( -2.038 -0.966 -0.550) 2.321 2.679 ( -2.038 0.966 -0.550) 2.321 2.835 ( 1.108 -0.132 1.610) 1.959 2.835 ( 1.108 0.132 1.610) 1.959 2.863 ( 2.979 -1.062 -1.943) 3.712 2.863 ( 2.979 1.062 -1.943) 3.712 3.079 ( -0.390 -1.319 0.014) 1.375 3.079 ( -0.390 1.319 0.014) 1.375 3.099 ( 1.256 -0.729 -0.393) 1.504 3.099 ( 1.256 0.729 -0.393) 1.504 3.180 ( -3.577 -2.925 0.216) 4.626 3.180 ( -3.577 2.925 0.216) 4.626 3.246 ( 3.058 -2.094 0.025) 3.706 3.246 ( 3.058 2.094 0.025) 3.706 3.404 ( -0.519 -1.016 1.520) 1.900 3.404 ( -0.519 1.016 1.520) 1.900 3.549 ( -3.545 -0.812 2.007) 4.154 3.549 ( -3.545 0.812 2.007) 4.154 3.632 ( 1.233 -1.684 -5.706) 6.076 3.632 ( 1.233 1.684 -5.706) 6.076 3.686 ( 0.293 -2.949 1.551) 3.345 3.686 ( 0.293 2.949 1.551) 3.345 3.737 ( 2.760 -2.128 -2.195) 4.119 3.737 ( 2.760 2.128 -2.195) 4.119 4.072 ( -0.275 -0.089 0.751) 0.805 4.072 ( -0.275 0.089 0.751) 0.805 4.119 ( 0.689 -1.092 -1.317) 1.844 4.119 ( 0.689 1.092 -1.317) 1.844 4.351 ( 0.241 -1.021 0.328) 1.099 4.351 ( 0.241 1.021 0.328) 1.099 4.585 ( 0.460 -0.025 0.935) 1.042 4.585 ( 0.460 0.025 0.935) 1.042 4.719 ( -1.300 -0.492 0.961) 1.690 4.719 ( -1.300 0.492 0.961) 1.690 4.940 ( 0.672 -0.722 -0.444) 1.082 4.940 ( 0.672 0.722 -0.444) 1.082 5.214 ( -0.117 -0.549 1.359) 1.471 5.214 ( -0.117 0.549 1.359) 1.471 5.269 ( -1.168 -0.131 -1.471) 1.883 5.269 ( -1.168 0.131 -1.471) 1.883 5.514 ( -0.004 -0.797 -0.177) 0.816 5.514 ( -0.004 0.797 -0.177) 0.816 6.002 ( -0.122 -0.499 0.040) 0.515 6.002 ( -0.122 0.499 0.040) 0.515 6.128 ( 0.322 -0.936 0.019) 0.991 6.128 ( 0.322 0.936 0.019) 0.991 6.540 ( -0.918 -0.939 0.219) 1.331 6.540 ( -0.918 0.939 0.219) 1.331 8.172 ( 0.714 -0.429 -0.719) 1.101 8.172 ( 0.714 0.429 -0.719) 1.101 8.333 ( -3.002 -4.561 -1.259) 5.604 8.333 ( -3.002 4.561 -1.259) 5.604 8.394 ( 4.044 -5.774 0.524) 7.069 8.394 ( 4.044 5.774 0.524) 7.069 8.861 ( -0.554 -0.835 1.117) 1.500 8.861 ( -0.554 0.835 1.117) 1.500 8.999 ( 0.201 -0.052 -0.266) 0.338 8.999 ( 0.201 0.052 -0.266) 0.338 ======================= Grid point 129 (74/75) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.846 -1.563 -0.123) 1.782 0.848 ( 0.846 1.563 -0.123) 1.782 0.995 ( -2.195 -6.557 3.395) 7.703 0.995 ( -2.195 6.557 3.395) 7.703 1.105 ( 2.266 -2.496 3.890) 5.148 1.105 ( 2.266 2.496 3.890) 5.148 1.394 ( 2.936 -7.493 1.136) 8.127 1.394 ( 2.936 7.493 1.136) 8.127 1.509 ( -2.347 -3.464 -1.266) 4.372 1.509 ( -2.347 3.464 -1.266) 4.372 1.627 ( -1.621 -3.697 3.088) 5.082 1.627 ( -1.621 3.697 3.088) 5.082 1.752 ( -1.204 -3.677 1.234) 4.061 1.752 ( -1.204 3.677 1.234) 4.061 1.974 ( 0.133 -2.491 -2.084) 3.250 1.974 ( 0.133 2.491 -2.084) 3.250 2.111 ( -4.809 -3.393 -1.746) 6.139 2.111 ( -4.809 3.393 -1.746) 6.139 2.268 ( 3.439 -0.945 1.854) 4.020 2.268 ( 3.439 0.945 1.854) 4.020 2.344 ( -2.497 -0.606 -2.892) 3.868 2.344 ( -2.497 0.606 -2.892) 3.868 2.443 ( 0.012 -2.871 5.081) 5.836 2.443 ( 0.012 2.871 5.081) 5.836 2.529 ( 1.919 -2.360 -0.571) 3.095 2.529 ( 1.919 2.360 -0.571) 3.095 2.659 ( -1.003 -0.974 0.200) 1.412 2.659 ( -1.003 0.974 0.200) 1.412 2.849 ( 0.724 -2.835 -0.722) 3.014 2.849 ( 0.724 2.835 -0.722) 3.014 2.928 ( 3.190 -4.047 0.116) 5.155 2.928 ( 3.190 4.047 0.116) 5.155 3.047 ( -0.284 -2.500 -1.624) 2.995 3.047 ( -0.284 2.500 -1.624) 2.995 3.110 ( -3.145 -3.692 0.352) 4.862 3.110 ( -3.145 3.692 0.352) 4.862 3.156 ( 3.074 -0.163 -0.281) 3.091 3.156 ( 3.074 0.163 -0.281) 3.091 3.275 ( 1.149 -1.740 -1.847) 2.786 3.275 ( 1.149 1.740 -1.847) 2.786 3.391 ( -1.506 -1.403 -0.414) 2.099 3.391 ( -1.506 1.403 -0.414) 2.099 3.474 ( -5.290 -2.191 0.366) 5.738 3.474 ( -5.290 2.191 0.366) 5.738 3.608 ( 0.639 -2.633 -3.024) 4.060 3.608 ( 0.639 2.633 -3.024) 4.060 3.697 ( -0.136 -2.715 0.164) 2.723 3.697 ( -0.136 2.715 0.164) 2.723 3.768 ( 1.916 -1.045 -1.571) 2.689 3.768 ( 1.916 1.045 -1.571) 2.689 4.062 ( -0.952 -1.924 -0.493) 2.203 4.062 ( -0.952 1.924 -0.493) 2.203 4.118 ( 0.280 -1.545 -1.059) 1.894 4.118 ( 0.280 1.545 -1.059) 1.894 4.369 ( 1.967 -1.566 0.442) 2.553 4.369 ( 1.967 1.566 0.442) 2.553 4.632 ( 2.050 -1.923 3.117) 4.197 4.632 ( 2.050 1.923 3.117) 4.197 4.699 ( -1.833 -1.712 0.701) 2.605 4.699 ( -1.833 1.712 0.701) 2.605 4.945 ( 0.253 -1.857 -0.790) 2.034 4.945 ( 0.253 1.857 -0.790) 2.034 5.167 ( -1.717 -1.888 -2.270) 3.415 5.167 ( -1.717 1.888 -2.270) 3.415 5.291 ( 0.345 -3.939 3.546) 5.311 5.291 ( 0.345 3.939 3.546) 5.311 5.534 ( 1.224 -1.678 1.928) 2.834 5.534 ( 1.224 1.678 1.928) 2.834 5.998 ( -0.244 -1.004 0.056) 1.035 5.998 ( -0.244 1.004 0.056) 1.035 6.119 ( -0.276 -1.039 -1.821) 2.115 6.119 ( -0.276 1.039 -1.821) 2.115 6.517 ( -1.906 -0.476 0.160) 1.971 6.517 ( -1.906 0.476 0.160) 1.971 8.171 ( -1.248 -1.726 -0.711) 2.245 8.171 ( -1.248 1.726 -0.711) 2.245 8.303 ( 1.755 -3.058 0.058) 3.526 8.303 ( 1.755 3.058 0.058) 3.526 8.469 ( 3.540 -4.456 0.668) 5.730 8.469 ( 3.540 4.456 0.668) 5.730 8.842 ( -1.905 -2.002 -0.984) 2.934 8.842 ( -1.905 2.002 -0.984) 2.934 9.000 ( 0.139 -0.189 -0.303) 0.383 9.000 ( 0.139 0.189 -0.303) 0.383 ======================= Grid point 131 (75/75) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -4.372 -2.131 2.873) 5.649 0.823 ( -4.372 2.131 2.873) 5.649 1.038 ( 3.932 -1.631 1.625) 4.556 1.038 ( 3.932 1.631 1.625) 4.556 1.203 ( 1.516 -0.362 5.707) 5.916 1.203 ( 1.516 0.362 5.707) 5.916 1.371 ( -4.234 -3.799 -2.244) 6.115 1.371 ( -4.234 3.799 -2.244) 6.115 1.493 ( 2.532 -1.734 -1.825) 3.570 1.493 ( 2.532 1.734 -1.825) 3.570 1.656 ( -0.252 -1.912 4.432) 4.834 1.656 ( -0.252 1.912 4.432) 4.834 1.744 ( -1.176 -1.966 2.071) 3.089 1.744 ( -1.176 1.966 2.071) 3.089 1.925 ( -0.354 -2.631 -4.264) 5.023 1.925 ( -0.354 2.631 -4.264) 5.023 2.098 ( 2.321 -4.146 2.352) 5.302 2.098 ( 2.321 4.146 2.352) 5.302 2.283 ( -0.476 -6.177 -1.308) 6.332 2.283 ( -0.476 6.177 -1.308) 6.332 2.332 ( -2.764 -3.398 5.630) 7.133 2.332 ( -2.764 3.398 5.630) 7.133 2.493 ( 1.313 -2.108 2.971) 3.872 2.493 ( 1.313 2.108 2.971) 3.872 2.556 ( 1.897 -0.759 -2.138) 2.958 2.556 ( 1.897 0.759 -2.138) 2.958 2.628 ( -0.390 -3.134 -1.838) 3.654 2.628 ( -0.390 3.134 -1.838) 3.654 2.834 ( -0.806 -2.356 -2.947) 3.859 2.834 ( -0.806 2.356 -2.947) 3.859 2.957 ( 0.250 -1.254 0.121) 1.285 2.957 ( 0.250 1.254 0.121) 1.285 3.033 ( -0.552 -2.477 -1.544) 2.971 3.033 ( -0.552 2.477 -1.544) 2.971 3.078 ( -1.118 -3.392 2.575) 4.403 3.078 ( -1.118 3.392 2.575) 4.403 3.213 ( 3.450 -1.136 -1.094) 3.793 3.213 ( 3.450 1.136 -1.094) 3.793 3.261 ( 0.294 -3.320 -2.288) 4.042 3.261 ( 0.294 3.320 -2.288) 4.042 3.351 ( -2.614 -5.692 -1.233) 6.383 3.351 ( -2.614 5.692 -1.233) 6.383 3.399 ( -2.765 -1.862 0.156) 3.337 3.399 ( -2.765 1.862 0.156) 3.337 3.600 ( 1.244 -0.956 -2.266) 2.756 3.600 ( 1.244 0.956 -2.266) 2.756 3.680 ( -1.990 -1.265 0.181) 2.365 3.680 ( -1.990 1.265 0.181) 2.365 3.763 ( 0.326 -0.865 -2.541) 2.704 3.763 ( 0.326 0.865 -2.541) 2.704 4.039 ( -1.017 -1.738 -0.232) 2.028 4.039 ( -1.017 1.738 -0.232) 2.028 4.100 ( -0.947 -2.257 -1.411) 2.825 4.100 ( -0.947 2.257 -1.411) 2.825 4.429 ( 3.707 -1.244 1.270) 4.112 4.429 ( 3.707 1.244 1.270) 4.112 4.629 ( -4.641 -2.392 1.214) 5.360 4.629 ( -4.641 2.392 1.214) 5.360 4.738 ( 4.008 -3.432 2.568) 5.868 4.738 ( 4.008 3.432 2.568) 5.868 4.919 ( -1.935 -3.046 -1.356) 3.855 4.919 ( -1.935 3.046 -1.356) 3.855 5.156 ( 1.154 -2.476 0.309) 2.749 5.156 ( 1.154 2.476 0.309) 2.749 5.326 ( 0.663 -5.218 1.804) 5.561 5.326 ( 0.663 5.218 1.804) 5.561 5.584 ( 1.809 -1.183 2.584) 3.369 5.584 ( 1.809 1.183 2.584) 3.369 5.997 ( -0.092 -1.175 0.310) 1.218 5.997 ( -0.092 1.175 0.310) 1.218 6.088 ( -0.796 -1.533 -2.460) 3.006 6.088 ( -0.796 1.533 -2.460) 3.006 6.484 ( -1.525 -0.638 -0.280) 1.676 6.484 ( -1.525 0.638 -0.280) 1.676 8.127 ( -1.802 -1.825 -1.251) 2.853 8.127 ( -1.802 1.825 -1.251) 2.853 8.383 ( 5.041 -1.104 2.157) 5.593 8.383 ( 5.041 1.104 2.157) 5.593 8.522 ( 2.003 -2.841 0.334) 3.492 8.522 ( 2.003 2.841 0.334) 3.492 8.774 ( -4.029 -1.559 -2.432) 4.958 8.774 ( -4.029 1.559 -2.432) 4.958 8.998 ( 0.072 -0.382 -0.305) 0.493 8.998 ( 0.072 0.382 -0.305) 0.493 =================== 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 3/16464 10.0 27.262 16.521 26.704 0.000 1.729 0.000 3/16464 20.0 5.578 3.670 6.391 0.000 0.729 0.000 3/16464 30.0 2.490 1.677 2.921 0.000 0.391 0.000 3/16464 40.0 1.509 1.034 1.780 0.000 0.254 0.000 3/16464 50.0 1.068 0.743 1.262 0.000 0.185 0.000 3/16464 60.0 0.827 0.582 0.978 0.000 0.145 0.000 3/16464 70.0 0.677 0.482 0.801 0.000 0.119 0.000 3/16464 80.0 0.576 0.414 0.682 0.000 0.101 0.000 3/16464 90.0 0.503 0.365 0.596 0.000 0.088 0.000 3/16464 100.0 0.448 0.327 0.530 0.000 0.078 0.000 3/16464 110.0 0.405 0.297 0.479 0.000 0.071 0.000 3/16464 120.0 0.370 0.273 0.438 0.000 0.064 0.000 3/16464 130.0 0.341 0.252 0.403 0.000 0.059 0.000 3/16464 140.0 0.317 0.235 0.375 0.000 0.055 0.000 3/16464 150.0 0.296 0.221 0.350 0.000 0.051 0.000 3/16464 160.0 0.278 0.208 0.328 0.000 0.048 0.000 3/16464 170.0 0.263 0.196 0.310 0.000 0.046 0.000 3/16464 180.0 0.249 0.186 0.293 0.000 0.043 0.000 3/16464 190.0 0.236 0.177 0.278 0.000 0.041 0.000 3/16464 200.0 0.225 0.169 0.265 0.000 0.039 0.000 3/16464 210.0 0.215 0.161 0.253 0.000 0.037 0.000 3/16464 220.0 0.206 0.155 0.242 0.000 0.036 0.000 3/16464 230.0 0.197 0.148 0.231 0.000 0.034 0.000 3/16464 240.0 0.189 0.143 0.222 0.000 0.033 0.000 3/16464 250.0 0.182 0.137 0.214 0.000 0.032 0.000 3/16464 260.0 0.176 0.132 0.206 0.000 0.030 0.000 3/16464 270.0 0.169 0.128 0.199 0.000 0.029 0.000 3/16464 280.0 0.164 0.124 0.192 0.000 0.028 0.000 3/16464 290.0 0.158 0.120 0.185 0.000 0.027 0.000 3/16464 300.0 0.153 0.116 0.180 0.000 0.027 0.000 3/16464 310.0 0.149 0.112 0.174 0.000 0.026 0.000 3/16464 320.0 0.144 0.109 0.169 0.000 0.025 0.000 3/16464 330.0 0.140 0.106 0.164 0.000 0.024 0.000 3/16464 340.0 0.136 0.103 0.159 0.000 0.024 0.000 3/16464 350.0 0.133 0.100 0.155 0.000 0.023 0.000 3/16464 360.0 0.129 0.098 0.151 0.000 0.022 0.000 3/16464 370.0 0.126 0.095 0.147 0.000 0.022 0.000 3/16464 380.0 0.123 0.093 0.143 0.000 0.021 0.000 3/16464 390.0 0.120 0.091 0.140 0.000 0.021 0.000 3/16464 400.0 0.117 0.088 0.136 0.000 0.020 0.000 3/16464 410.0 0.114 0.086 0.133 0.000 0.020 0.000 3/16464 420.0 0.112 0.084 0.130 0.000 0.019 0.000 3/16464 430.0 0.109 0.083 0.127 0.000 0.019 0.000 3/16464 440.0 0.107 0.081 0.124 0.000 0.018 0.000 3/16464 450.0 0.104 0.079 0.122 0.000 0.018 0.000 3/16464 460.0 0.102 0.077 0.119 0.000 0.018 0.000 3/16464 470.0 0.100 0.076 0.117 0.000 0.017 0.000 3/16464 480.0 0.098 0.074 0.114 0.000 0.017 0.000 3/16464 490.0 0.096 0.073 0.112 0.000 0.017 0.000 3/16464 500.0 0.094 0.072 0.110 0.000 0.016 0.000 3/16464 510.0 0.093 0.070 0.108 0.000 0.016 0.000 3/16464 520.0 0.091 0.069 0.106 0.000 0.016 0.000 3/16464 530.0 0.089 0.068 0.104 0.000 0.015 0.000 3/16464 540.0 0.088 0.066 0.102 0.000 0.015 0.000 3/16464 550.0 0.086 0.065 0.100 0.000 0.015 0.000 3/16464 560.0 0.085 0.064 0.099 0.000 0.015 0.000 3/16464 570.0 0.083 0.063 0.097 0.000 0.014 0.000 3/16464 580.0 0.082 0.062 0.095 0.000 0.014 0.000 3/16464 590.0 0.081 0.061 0.094 0.000 0.014 0.000 3/16464 600.0 0.079 0.060 0.092 0.000 0.014 0.000 3/16464 610.0 0.078 0.059 0.091 0.000 0.014 0.000 3/16464 620.0 0.077 0.058 0.089 0.000 0.013 0.000 3/16464 630.0 0.076 0.057 0.088 0.000 0.013 0.000 3/16464 640.0 0.075 0.056 0.087 0.000 0.013 0.000 3/16464 650.0 0.073 0.056 0.085 0.000 0.013 0.000 3/16464 660.0 0.072 0.055 0.084 0.000 0.013 0.000 3/16464 670.0 0.071 0.054 0.083 0.000 0.012 0.000 3/16464 680.0 0.070 0.053 0.082 0.000 0.012 0.000 3/16464 690.0 0.069 0.053 0.080 0.000 0.012 0.000 3/16464 700.0 0.068 0.052 0.079 0.000 0.012 0.000 3/16464 710.0 0.067 0.051 0.078 0.000 0.012 0.000 3/16464 720.0 0.067 0.050 0.077 0.000 0.012 0.000 3/16464 730.0 0.066 0.050 0.076 0.000 0.011 0.000 3/16464 740.0 0.065 0.049 0.075 0.000 0.011 0.000 3/16464 750.0 0.064 0.048 0.074 0.000 0.011 0.000 3/16464 760.0 0.063 0.048 0.073 0.000 0.011 0.000 3/16464 770.0 0.062 0.047 0.072 0.000 0.011 0.000 3/16464 780.0 0.062 0.047 0.071 0.000 0.011 0.000 3/16464 790.0 0.061 0.046 0.071 0.000 0.011 0.000 3/16464 800.0 0.060 0.046 0.070 0.000 0.010 0.000 3/16464 810.0 0.059 0.045 0.069 0.000 0.010 0.000 3/16464 820.0 0.059 0.044 0.068 0.000 0.010 0.000 3/16464 830.0 0.058 0.044 0.067 0.000 0.010 0.000 3/16464 840.0 0.057 0.043 0.066 0.000 0.010 0.000 3/16464 850.0 0.057 0.043 0.066 0.000 0.010 0.000 3/16464 860.0 0.056 0.042 0.065 0.000 0.010 0.000 3/16464 870.0 0.055 0.042 0.064 0.000 0.010 0.000 3/16464 880.0 0.055 0.042 0.063 0.000 0.009 0.000 3/16464 890.0 0.054 0.041 0.063 0.000 0.009 0.000 3/16464 900.0 0.054 0.041 0.062 0.000 0.009 0.000 3/16464 910.0 0.053 0.040 0.061 0.000 0.009 0.000 3/16464 920.0 0.052 0.040 0.061 0.000 0.009 0.000 3/16464 930.0 0.052 0.039 0.060 0.000 0.009 0.000 3/16464 940.0 0.051 0.039 0.059 0.000 0.009 0.000 3/16464 950.0 0.051 0.039 0.059 0.000 0.009 0.000 3/16464 960.0 0.050 0.038 0.058 0.000 0.009 0.000 3/16464 970.0 0.050 0.038 0.058 0.000 0.009 0.000 3/16464 980.0 0.049 0.037 0.057 0.000 0.009 0.000 3/16464 990.0 0.049 0.037 0.057 0.000 0.008 0.000 3/16464 1000.0 0.048 0.037 0.056 0.000 0.008 0.000 3/16464 Thermal conductivity related properties were written into "kappa-m747.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:35:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|