----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:06:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.988176940283750 -5.063491099999999 0.000000000000000 b 2.988176940283750 5.063491099999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): *1 Na 0.02004363533878 0.66669015400475 0.12825256558477 22.990 2 Na 0.33330984599525 0.97995636466122 0.37174743441523 22.990 3 Na 0.97995636466122 0.33330984599525 0.87174743441523 22.990 4 Na 0.66669015400475 0.02004363533878 0.62825256558477 22.990 *5 Na 0.32105777766180 0.29701800528755 0.09600155362885 22.990 6 Na 0.70298199471245 0.67894222233820 0.40399844637115 22.990 7 Na 0.67894222233820 0.70298199471245 0.90399844637115 22.990 8 Na 0.29701800528755 0.32105777766180 0.59600155362885 22.990 *9 As 0.99076353937462 0.29708253234693 0.36165067119214 74.922 10 As 0.70291746765307 0.00923646062538 0.13834932880786 74.922 11 As 0.00923646062538 0.70291746765307 0.63834932880786 74.922 12 As 0.29708253234693 0.99076353937462 0.86165067119214 74.922 *13 O 0.93400238551574 0.06599761448426 0.25000000000000 15.999 14 O 0.06599761448426 0.93400238551574 0.75000000000000 15.999 *15 O 0.75486308902513 0.11328892680946 0.44430612734844 15.999 16 O 0.88671107319054 0.24513691097487 0.05569387265156 15.999 17 O 0.24513691097487 0.88671107319054 0.55569387265156 15.999 18 O 0.11328892680946 0.75486308902513 0.94430612734844 15.999 *19 O 0.28642184579630 0.35809422032381 0.40681412885351 15.999 20 O 0.64190577967619 0.71357815420370 0.09318587114649 15.999 21 O 0.71357815420370 0.64190577967619 0.59318587114649 15.999 22 O 0.35809422032381 0.28642184579630 0.90681412885351 15.999 *23 O 0.97656422831757 0.55466005178086 0.31429914292462 15.999 24 O 0.44533994821914 0.02343577168243 0.18570085707538 15.999 25 O 0.02343577168243 0.44533994821914 0.68570085707538 15.999 26 O 0.55466005178086 0.97656422831757 0.81429914292462 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.976353880567499 0.000000000000000 0.000000000000000 b 0.000000000000000 10.126982199999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): *1 Na 0.34336689467176 0.32332325933298 0.12825256558477 22.990 > 1 2 Na 0.65663310532824 0.32332325933298 0.37174743441523 22.990 > 2 3 Na 0.65663310532824 0.67667674066702 0.87174743441523 22.990 > 3 4 Na 0.34336689467176 0.67667674066702 0.62825256558477 22.990 > 4 *5 Na 0.30903789147468 0.98798011381288 0.09600155362885 22.990 > 5 6 Na 0.69096210852532 0.98798011381288 0.40399844637115 22.990 > 6 7 Na 0.69096210852532 0.01201988618712 0.90399844637115 22.990 > 7 8 Na 0.30903789147468 0.01201988618712 0.59600155362885 22.990 > 8 9 Na 0.84336689467176 0.82332325933298 0.12825256558477 22.990 > 1 10 Na 0.15663310532824 0.82332325933298 0.37174743441523 22.990 > 2 11 Na 0.15663310532824 0.17667674066702 0.87174743441523 22.990 > 3 12 Na 0.84336689467176 0.17667674066702 0.62825256558477 22.990 > 4 13 Na 0.80903789147468 0.48798011381288 0.09600155362885 22.990 > 5 14 Na 0.19096210852532 0.48798011381288 0.40399844637115 22.990 > 6 15 Na 0.19096210852532 0.51201988618712 0.90399844637115 22.990 > 7 16 Na 0.80903789147468 0.51201988618712 0.59600155362885 22.990 > 8 *17 As 0.64392303586078 0.65315949648616 0.36165067119214 74.922 > 9 18 As 0.35607696413922 0.65315949648616 0.13834932880786 74.922 > 10 19 As 0.35607696413922 0.34684050351384 0.63834932880786 74.922 > 11 20 As 0.64392303586078 0.34684050351384 0.86165067119214 74.922 > 12 21 As 0.14392303586078 0.15315949648616 0.36165067119214 74.922 > 9 22 As 0.85607696413922 0.15315949648616 0.13834932880786 74.922 > 10 23 As 0.85607696413922 0.84684050351384 0.63834932880786 74.922 > 11 24 As 0.14392303586078 0.84684050351384 0.86165067119214 74.922 > 12 *25 O 0.50000000000000 0.56599761448426 0.25000000000000 15.999 > 13 26 O 0.50000000000000 0.43400238551574 0.75000000000000 15.999 > 14 *27 O 0.43407600791729 0.67921291889217 0.44430612734844 15.999 > 15 28 O 0.56592399208271 0.67921291889217 0.05569387265156 15.999 > 16 29 O 0.56592399208271 0.32078708110783 0.55569387265156 15.999 > 17 30 O 0.43407600791729 0.32078708110783 0.94430612734844 15.999 > 18 *31 O 0.32225803306005 0.03583618726376 0.40681412885351 15.999 > 19 32 O 0.67774196693995 0.03583618726376 0.09318587114649 15.999 > 20 33 O 0.67774196693995 0.96416381273624 0.59318587114649 15.999 > 21 34 O 0.32225803306005 0.96416381273624 0.90681412885351 15.999 > 22 *35 O 0.76561214004921 0.78904791173165 0.31429914292462 15.999 > 23 36 O 0.23438785995079 0.78904791173165 0.18570085707538 15.999 > 24 37 O 0.23438785995079 0.21095208826835 0.68570085707538 15.999 > 25 38 O 0.76561214004921 0.21095208826835 0.81429914292462 15.999 > 26 39 O 0.00000000000000 0.06599761448426 0.25000000000000 15.999 > 13 40 O 0.00000000000000 0.93400238551574 0.75000000000000 15.999 > 14 41 O 0.93407600791729 0.17921291889217 0.44430612734844 15.999 > 15 42 O 0.06592399208271 0.17921291889217 0.05569387265156 15.999 > 16 43 O 0.06592399208271 0.82078708110783 0.55569387265156 15.999 > 17 44 O 0.93407600791729 0.82078708110783 0.94430612734844 15.999 > 18 45 O 0.82225803306005 0.53583618726376 0.40681412885351 15.999 > 19 46 O 0.17774196693995 0.53583618726376 0.09318587114649 15.999 > 20 47 O 0.17774196693995 0.46416381273625 0.59318587114649 15.999 > 21 48 O 0.82225803306005 0.46416381273625 0.90681412885351 15.999 > 22 49 O 0.26561214004922 0.28904791173165 0.31429914292462 15.999 > 23 50 O 0.73438785995079 0.28904791173165 0.18570085707538 15.999 > 24 51 O 0.73438785995079 0.71095208826835 0.68570085707538 15.999 > 25 52 O 0.26561214004922 0.71095208826835 0.81429914292462 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.952707761134999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.126982199999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): *1 Na 0.17168344733588 0.32332325933298 0.12825256558477 22.990 > 1 2 Na 0.67168344733588 0.32332325933298 0.12825256558477 22.990 > 1 3 Na 0.32831655266412 0.32332325933298 0.37174743441523 22.990 > 2 4 Na 0.82831655266412 0.32332325933298 0.37174743441523 22.990 > 2 5 Na 0.32831655266412 0.67667674066702 0.87174743441523 22.990 > 3 6 Na 0.82831655266412 0.67667674066702 0.87174743441523 22.990 > 3 7 Na 0.17168344733588 0.67667674066702 0.62825256558477 22.990 > 4 8 Na 0.67168344733588 0.67667674066702 0.62825256558477 22.990 > 4 *9 Na 0.15451894573734 0.98798011381288 0.09600155362885 22.990 > 5 10 Na 0.65451894573734 0.98798011381288 0.09600155362885 22.990 > 5 11 Na 0.34548105426266 0.98798011381288 0.40399844637115 22.990 > 6 12 Na 0.84548105426266 0.98798011381288 0.40399844637115 22.990 > 6 13 Na 0.34548105426266 0.01201988618712 0.90399844637115 22.990 > 7 14 Na 0.84548105426266 0.01201988618712 0.90399844637115 22.990 > 7 15 Na 0.15451894573734 0.01201988618712 0.59600155362885 22.990 > 8 16 Na 0.65451894573734 0.01201988618712 0.59600155362885 22.990 > 8 17 Na 0.42168344733588 0.82332325933298 0.12825256558477 22.990 > 1 18 Na 0.92168344733588 0.82332325933298 0.12825256558477 22.990 > 1 19 Na 0.07831655266412 0.82332325933298 0.37174743441523 22.990 > 2 20 Na 0.57831655266412 0.82332325933298 0.37174743441523 22.990 > 2 21 Na 0.07831655266412 0.17667674066702 0.87174743441523 22.990 > 3 22 Na 0.57831655266412 0.17667674066702 0.87174743441523 22.990 > 3 23 Na 0.42168344733588 0.17667674066702 0.62825256558477 22.990 > 4 24 Na 0.92168344733588 0.17667674066702 0.62825256558477 22.990 > 4 25 Na 0.40451894573734 0.48798011381288 0.09600155362885 22.990 > 5 26 Na 0.90451894573734 0.48798011381288 0.09600155362885 22.990 > 5 27 Na 0.09548105426266 0.48798011381288 0.40399844637115 22.990 > 6 28 Na 0.59548105426266 0.48798011381288 0.40399844637115 22.990 > 6 29 Na 0.09548105426266 0.51201988618712 0.90399844637115 22.990 > 7 30 Na 0.59548105426266 0.51201988618712 0.90399844637115 22.990 > 7 31 Na 0.40451894573734 0.51201988618712 0.59600155362885 22.990 > 8 32 Na 0.90451894573734 0.51201988618712 0.59600155362885 22.990 > 8 *33 As 0.32196151793039 0.65315949648616 0.36165067119214 74.922 > 9 34 As 0.82196151793039 0.65315949648616 0.36165067119214 74.922 > 9 35 As 0.17803848206961 0.65315949648616 0.13834932880786 74.922 > 10 36 As 0.67803848206961 0.65315949648616 0.13834932880786 74.922 > 10 37 As 0.17803848206961 0.34684050351384 0.63834932880786 74.922 > 11 38 As 0.67803848206961 0.34684050351384 0.63834932880786 74.922 > 11 39 As 0.32196151793039 0.34684050351384 0.86165067119214 74.922 > 12 40 As 0.82196151793039 0.34684050351384 0.86165067119214 74.922 > 12 41 As 0.07196151793039 0.15315949648616 0.36165067119214 74.922 > 9 42 As 0.57196151793039 0.15315949648616 0.36165067119214 74.922 > 9 43 As 0.42803848206961 0.15315949648616 0.13834932880786 74.922 > 10 44 As 0.92803848206961 0.15315949648616 0.13834932880786 74.922 > 10 45 As 0.42803848206961 0.84684050351384 0.63834932880786 74.922 > 11 46 As 0.92803848206961 0.84684050351384 0.63834932880786 74.922 > 11 47 As 0.07196151793039 0.84684050351384 0.86165067119214 74.922 > 12 48 As 0.57196151793039 0.84684050351384 0.86165067119214 74.922 > 12 *49 O 0.25000000000000 0.56599761448426 0.25000000000000 15.999 > 13 50 O 0.75000000000000 0.56599761448426 0.25000000000000 15.999 > 13 51 O 0.25000000000000 0.43400238551574 0.75000000000000 15.999 > 14 52 O 0.75000000000000 0.43400238551574 0.75000000000000 15.999 > 14 *53 O 0.21703800395865 0.67921291889217 0.44430612734844 15.999 > 15 54 O 0.71703800395865 0.67921291889217 0.44430612734844 15.999 > 15 55 O 0.28296199604135 0.67921291889217 0.05569387265156 15.999 > 16 56 O 0.78296199604135 0.67921291889217 0.05569387265156 15.999 > 16 57 O 0.28296199604135 0.32078708110783 0.55569387265156 15.999 > 17 58 O 0.78296199604135 0.32078708110783 0.55569387265156 15.999 > 17 59 O 0.21703800395865 0.32078708110783 0.94430612734844 15.999 > 18 60 O 0.71703800395865 0.32078708110783 0.94430612734844 15.999 > 18 *61 O 0.16112901653003 0.03583618726376 0.40681412885351 15.999 > 19 62 O 0.66112901653003 0.03583618726376 0.40681412885351 15.999 > 19 63 O 0.33887098346997 0.03583618726376 0.09318587114649 15.999 > 20 64 O 0.83887098346997 0.03583618726376 0.09318587114649 15.999 > 20 65 O 0.33887098346997 0.96416381273624 0.59318587114649 15.999 > 21 66 O 0.83887098346997 0.96416381273624 0.59318587114649 15.999 > 21 67 O 0.16112901653003 0.96416381273624 0.90681412885351 15.999 > 22 68 O 0.66112901653003 0.96416381273624 0.90681412885351 15.999 > 22 *69 O 0.38280607002461 0.78904791173165 0.31429914292462 15.999 > 23 70 O 0.88280607002461 0.78904791173165 0.31429914292462 15.999 > 23 71 O 0.11719392997539 0.78904791173165 0.18570085707538 15.999 > 24 72 O 0.61719392997539 0.78904791173165 0.18570085707538 15.999 > 24 73 O 0.11719392997539 0.21095208826835 0.68570085707538 15.999 > 25 74 O 0.61719392997539 0.21095208826835 0.68570085707538 15.999 > 25 75 O 0.38280607002461 0.21095208826835 0.81429914292462 15.999 > 26 76 O 0.88280607002461 0.21095208826835 0.81429914292462 15.999 > 26 77 O 0.00000000000000 0.06599761448426 0.25000000000000 15.999 > 13 78 O 0.50000000000000 0.06599761448426 0.25000000000000 15.999 > 13 79 O 0.00000000000000 0.93400238551574 0.75000000000000 15.999 > 14 80 O 0.50000000000000 0.93400238551574 0.75000000000000 15.999 > 14 81 O 0.46703800395865 0.17921291889217 0.44430612734844 15.999 > 15 82 O 0.96703800395865 0.17921291889217 0.44430612734844 15.999 > 15 83 O 0.03296199604135 0.17921291889217 0.05569387265156 15.999 > 16 84 O 0.53296199604135 0.17921291889217 0.05569387265156 15.999 > 16 85 O 0.03296199604135 0.82078708110783 0.55569387265156 15.999 > 17 86 O 0.53296199604135 0.82078708110783 0.55569387265156 15.999 > 17 87 O 0.46703800395865 0.82078708110783 0.94430612734844 15.999 > 18 88 O 0.96703800395865 0.82078708110783 0.94430612734844 15.999 > 18 89 O 0.41112901653003 0.53583618726376 0.40681412885351 15.999 > 19 90 O 0.91112901653003 0.53583618726376 0.40681412885351 15.999 > 19 91 O 0.08887098346997 0.53583618726376 0.09318587114649 15.999 > 20 92 O 0.58887098346997 0.53583618726376 0.09318587114649 15.999 > 20 93 O 0.08887098346997 0.46416381273625 0.59318587114649 15.999 > 21 94 O 0.58887098346997 0.46416381273625 0.59318587114649 15.999 > 21 95 O 0.41112901653003 0.46416381273625 0.90681412885351 15.999 > 22 96 O 0.91112901653003 0.46416381273625 0.90681412885351 15.999 > 22 97 O 0.13280607002461 0.28904791173165 0.31429914292462 15.999 > 23 98 O 0.63280607002461 0.28904791173165 0.31429914292462 15.999 > 23 99 O 0.36719392997539 0.28904791173165 0.18570085707538 15.999 > 24 100 O 0.86719392997539 0.28904791173165 0.18570085707538 15.999 > 24 101 O 0.36719392997539 0.71095208826835 0.68570085707538 15.999 > 25 102 O 0.86719392997539 0.71095208826835 0.68570085707538 15.999 > 25 103 O 0.13280607002461 0.71095208826835 0.81429914292462 15.999 > 26 104 O 0.63280607002461 0.71095208826835 0.81429914292462 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5643323 0.0000000 0.0542262 0.0000000 2.5214068 0.0000000 0.0542185 0.0000000 2.6221534 -------------------------- Born effective charges -------------------------- 1 Na 1.1296124 0.0960212 -0.0956540 -0.0216186 1.0994789 -0.1125803 -0.0906981 0.0038567 1.1120156 2 Na 1.1296124 -0.0960212 -0.0956540 0.0216186 1.0994789 0.1125803 -0.0906981 -0.0038567 1.1120156 3 Na 1.1296124 0.0960212 -0.0956540 -0.0216186 1.0994789 -0.1125803 -0.0906981 0.0038567 1.1120156 4 Na 1.1296124 -0.0960212 -0.0956540 0.0216186 1.0994789 0.1125803 -0.0906981 -0.0038567 1.1120156 5 Na 1.1087350 -0.0901425 0.0463046 0.0215903 1.1309634 0.0347212 0.0060469 0.0713084 1.0595070 6 Na 1.1087350 0.0901425 0.0463046 -0.0215903 1.1309634 -0.0347212 0.0060469 -0.0713084 1.0595070 7 Na 1.1087350 -0.0901425 0.0463046 0.0215903 1.1309634 0.0347212 0.0060469 0.0713084 1.0595070 8 Na 1.1087350 0.0901425 0.0463046 -0.0215903 1.1309634 -0.0347212 0.0060469 -0.0713084 1.0595070 9 As 2.8324650 0.2059347 0.3111610 -0.0478081 2.6124717 -0.0904859 0.2994149 0.3289682 3.2621771 10 As 2.8324650 -0.2059347 0.3111610 0.0478081 2.6124717 0.0904859 0.2994149 -0.3289682 3.2621771 11 As 2.8324650 0.2059347 0.3111610 -0.0478081 2.6124717 -0.0904859 0.2994149 0.3289682 3.2621771 12 As 2.8324650 -0.2059347 0.3111610 0.0478081 2.6124717 0.0904859 0.2994149 -0.3289682 3.2621771 13 O -1.3395188 0.0000000 -0.7797706 0.0000000 -1.2349857 0.0000000 -0.8718680 0.0000000 -2.5504591 14 O -1.3395188 0.0000000 -0.7797706 0.0000000 -1.2349857 0.0000000 -0.8718680 0.0000000 -2.5504591 15 O -1.5526214 0.0309723 0.2219879 0.1054877 -1.1061983 -0.0747505 0.4355956 -0.0817047 -1.5885233 16 O -1.5526214 -0.0309723 0.2219879 -0.1054877 -1.1061983 0.0747505 0.4355956 0.0817047 -1.5885233 17 O -1.5526214 0.0309723 0.2219879 0.1054877 -1.1061983 -0.0747505 0.4355956 -0.0817047 -1.5885233 18 O -1.5526214 -0.0309723 0.2219879 -0.1054877 -1.1061983 0.0747505 0.4355956 0.0817047 -1.5885233 19 O -1.5289386 0.3828313 -0.2112404 0.3804980 -1.5255178 0.1914084 -0.2602923 0.2377914 -1.3051383 20 O -1.5289386 -0.3828313 -0.2112404 -0.3804980 -1.5255178 -0.1914084 -0.2602923 -0.2377914 -1.3051383 21 O -1.5289386 0.3828313 -0.2112404 0.3804980 -1.5255178 0.1914084 -0.2602923 0.2377914 -1.3051383 22 O -1.5289386 -0.3828313 -0.2112404 -0.3804980 -1.5255178 -0.1914084 -0.2602923 -0.2377914 -1.3051383 23 O -1.3194932 -0.3998485 0.1173264 -0.3396067 -1.5937050 0.1899319 0.0458670 0.0863011 -1.2648085 24 O -1.3194932 0.3998485 0.1173264 0.3396067 -1.5937050 -0.1899319 0.0458670 -0.0863011 -1.2648085 25 O -1.3194932 -0.3998485 0.1173264 -0.3396067 -1.5937050 0.1899319 0.0458670 0.0863011 -1.2648085 26 O -1.3194932 0.3998485 0.1173264 0.3396067 -1.5937050 -0.1899319 0.0458670 -0.0863011 -1.2648085 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 14730/14730 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3160 Number of blocks in projector: 3160 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (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: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 674 Use submatrix version of eigh solver. (1) Block: 500 / 674 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 674 / 674 (1) 162 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 674 Use submatrix version of eigh solver. (1) Block: 500 / 674 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 674 / 674 (1) 162 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3160, 3102), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (674, 662), data: False |-- (674, 12), data: (674, 24) @ (24, 12) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (674, 662), data: False |-- (674, 12), data: (674, 24) @ (24, 12) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.017 Solver_block: 100 / 800 - Time: 1.983 Solver_block: 200 / 800 - Time: 1.984 Solver_block: 300 / 800 - Time: 1.687 Solver_block: 400 / 800 - Time: 1.150 Solver_block: 500 / 800 - Time: 0.991 Solver_block: 600 / 800 - Time: 1.295 Solver_block: 700 / 800 - Time: 2.050 Solver_block: 800 / 800 - Time: 1.948 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.846 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 14730/14730 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3160 Number of blocks in projector: 3160 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (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: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 674 Use submatrix version of eigh solver. (1) Block: 500 / 674 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 674 / 674 (1) 162 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 674 Use submatrix version of eigh solver. (1) Block: 500 / 674 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 674 / 674 (1) 162 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3160, 3102), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (674, 662), data: False |-- (674, 12), data: (674, 24) @ (24, 12) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (674, 662), data: False |-- (674, 12), data: (674, 24) @ (24, 12) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), 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 06:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.988176940283750 -5.063491099999999 0.000000000000000 b 2.988176940283750 5.063491099999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): 1 Na 0.02004363533878 0.66669015400475 0.12825256558477 22.990 2 Na 0.33330984599525 0.97995636466122 0.37174743441523 22.990 3 Na 0.97995636466122 0.33330984599525 0.87174743441523 22.990 4 Na 0.66669015400475 0.02004363533878 0.62825256558477 22.990 5 Na 0.32105777766180 0.29701800528755 0.09600155362885 22.990 6 Na 0.70298199471245 0.67894222233820 0.40399844637115 22.990 7 Na 0.67894222233820 0.70298199471245 0.90399844637115 22.990 8 Na 0.29701800528755 0.32105777766180 0.59600155362885 22.990 9 As 0.99076353937462 0.29708253234693 0.36165067119214 74.922 10 As 0.70291746765307 0.00923646062538 0.13834932880786 74.922 11 As 0.00923646062538 0.70291746765307 0.63834932880786 74.922 12 As 0.29708253234693 0.99076353937462 0.86165067119214 74.922 13 O 0.93400238551574 0.06599761448426 0.25000000000000 15.999 14 O 0.06599761448426 0.93400238551574 0.75000000000000 15.999 15 O 0.75486308902513 0.11328892680946 0.44430612734844 15.999 16 O 0.88671107319054 0.24513691097487 0.05569387265156 15.999 17 O 0.24513691097487 0.88671107319054 0.55569387265156 15.999 18 O 0.11328892680946 0.75486308902513 0.94430612734844 15.999 19 O 0.28642184579630 0.35809422032381 0.40681412885351 15.999 20 O 0.64190577967619 0.71357815420370 0.09318587114649 15.999 21 O 0.71357815420370 0.64190577967619 0.59318587114649 15.999 22 O 0.35809422032381 0.28642184579630 0.90681412885351 15.999 23 O 0.97656422831757 0.55466005178086 0.31429914292462 15.999 24 O 0.44533994821914 0.02343577168243 0.18570085707538 15.999 25 O 0.02343577168243 0.44533994821914 0.68570085707538 15.999 26 O 0.55466005178086 0.97656422831757 0.81429914292462 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.952707761134999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.126982199999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): 1 Na 0.17168344733588 0.32332325933298 0.12825256558477 22.990 > 1 2 Na 0.67168344733588 0.32332325933298 0.12825256558477 22.990 > 1 3 Na 0.32831655266412 0.32332325933298 0.37174743441523 22.990 > 3 4 Na 0.82831655266412 0.32332325933298 0.37174743441523 22.990 > 3 5 Na 0.32831655266412 0.67667674066702 0.87174743441523 22.990 > 5 6 Na 0.82831655266412 0.67667674066702 0.87174743441523 22.990 > 5 7 Na 0.17168344733588 0.67667674066702 0.62825256558477 22.990 > 7 8 Na 0.67168344733588 0.67667674066702 0.62825256558477 22.990 > 7 9 Na 0.15451894573734 0.98798011381288 0.09600155362885 22.990 > 9 10 Na 0.65451894573734 0.98798011381288 0.09600155362885 22.990 > 9 11 Na 0.34548105426266 0.98798011381288 0.40399844637115 22.990 > 11 12 Na 0.84548105426266 0.98798011381288 0.40399844637115 22.990 > 11 13 Na 0.34548105426266 0.01201988618712 0.90399844637115 22.990 > 13 14 Na 0.84548105426266 0.01201988618712 0.90399844637115 22.990 > 13 15 Na 0.15451894573734 0.01201988618712 0.59600155362885 22.990 > 15 16 Na 0.65451894573734 0.01201988618712 0.59600155362885 22.990 > 15 17 Na 0.42168344733588 0.82332325933298 0.12825256558477 22.990 > 1 18 Na 0.92168344733588 0.82332325933298 0.12825256558477 22.990 > 1 19 Na 0.07831655266412 0.82332325933298 0.37174743441523 22.990 > 3 20 Na 0.57831655266412 0.82332325933298 0.37174743441523 22.990 > 3 21 Na 0.07831655266412 0.17667674066702 0.87174743441523 22.990 > 5 22 Na 0.57831655266412 0.17667674066702 0.87174743441523 22.990 > 5 23 Na 0.42168344733588 0.17667674066702 0.62825256558477 22.990 > 7 24 Na 0.92168344733588 0.17667674066702 0.62825256558477 22.990 > 7 25 Na 0.40451894573734 0.48798011381288 0.09600155362885 22.990 > 9 26 Na 0.90451894573734 0.48798011381288 0.09600155362885 22.990 > 9 27 Na 0.09548105426266 0.48798011381288 0.40399844637115 22.990 > 11 28 Na 0.59548105426266 0.48798011381288 0.40399844637115 22.990 > 11 29 Na 0.09548105426266 0.51201988618712 0.90399844637115 22.990 > 13 30 Na 0.59548105426266 0.51201988618712 0.90399844637115 22.990 > 13 31 Na 0.40451894573734 0.51201988618712 0.59600155362885 22.990 > 15 32 Na 0.90451894573734 0.51201988618712 0.59600155362885 22.990 > 15 33 As 0.32196151793039 0.65315949648616 0.36165067119214 74.922 > 33 34 As 0.82196151793039 0.65315949648616 0.36165067119214 74.922 > 33 35 As 0.17803848206961 0.65315949648616 0.13834932880786 74.922 > 35 36 As 0.67803848206961 0.65315949648616 0.13834932880786 74.922 > 35 37 As 0.17803848206961 0.34684050351384 0.63834932880786 74.922 > 37 38 As 0.67803848206961 0.34684050351384 0.63834932880786 74.922 > 37 39 As 0.32196151793039 0.34684050351384 0.86165067119214 74.922 > 39 40 As 0.82196151793039 0.34684050351384 0.86165067119214 74.922 > 39 41 As 0.07196151793039 0.15315949648616 0.36165067119214 74.922 > 33 42 As 0.57196151793039 0.15315949648616 0.36165067119214 74.922 > 33 43 As 0.42803848206961 0.15315949648616 0.13834932880786 74.922 > 35 44 As 0.92803848206961 0.15315949648616 0.13834932880786 74.922 > 35 45 As 0.42803848206961 0.84684050351384 0.63834932880786 74.922 > 37 46 As 0.92803848206961 0.84684050351384 0.63834932880786 74.922 > 37 47 As 0.07196151793039 0.84684050351384 0.86165067119214 74.922 > 39 48 As 0.57196151793039 0.84684050351384 0.86165067119214 74.922 > 39 49 O 0.25000000000000 0.56599761448426 0.25000000000000 15.999 > 49 50 O 0.75000000000000 0.56599761448426 0.25000000000000 15.999 > 49 51 O 0.25000000000000 0.43400238551574 0.75000000000000 15.999 > 51 52 O 0.75000000000000 0.43400238551574 0.75000000000000 15.999 > 51 53 O 0.21703800395865 0.67921291889217 0.44430612734844 15.999 > 53 54 O 0.71703800395865 0.67921291889217 0.44430612734844 15.999 > 53 55 O 0.28296199604135 0.67921291889217 0.05569387265156 15.999 > 55 56 O 0.78296199604135 0.67921291889217 0.05569387265156 15.999 > 55 57 O 0.28296199604135 0.32078708110783 0.55569387265156 15.999 > 57 58 O 0.78296199604135 0.32078708110783 0.55569387265156 15.999 > 57 59 O 0.21703800395865 0.32078708110783 0.94430612734844 15.999 > 59 60 O 0.71703800395865 0.32078708110783 0.94430612734844 15.999 > 59 61 O 0.16112901653003 0.03583618726376 0.40681412885351 15.999 > 61 62 O 0.66112901653003 0.03583618726376 0.40681412885351 15.999 > 61 63 O 0.33887098346997 0.03583618726376 0.09318587114649 15.999 > 63 64 O 0.83887098346997 0.03583618726376 0.09318587114649 15.999 > 63 65 O 0.33887098346997 0.96416381273624 0.59318587114649 15.999 > 65 66 O 0.83887098346997 0.96416381273624 0.59318587114649 15.999 > 65 67 O 0.16112901653003 0.96416381273624 0.90681412885351 15.999 > 67 68 O 0.66112901653003 0.96416381273624 0.90681412885351 15.999 > 67 69 O 0.38280607002461 0.78904791173165 0.31429914292462 15.999 > 69 70 O 0.88280607002461 0.78904791173165 0.31429914292462 15.999 > 69 71 O 0.11719392997539 0.78904791173165 0.18570085707538 15.999 > 71 72 O 0.61719392997539 0.78904791173165 0.18570085707538 15.999 > 71 73 O 0.11719392997539 0.21095208826835 0.68570085707538 15.999 > 73 74 O 0.61719392997539 0.21095208826835 0.68570085707538 15.999 > 73 75 O 0.38280607002461 0.21095208826835 0.81429914292462 15.999 > 75 76 O 0.88280607002461 0.21095208826835 0.81429914292462 15.999 > 75 77 O 0.00000000000000 0.06599761448426 0.25000000000000 15.999 > 49 78 O 0.50000000000000 0.06599761448426 0.25000000000000 15.999 > 49 79 O 0.00000000000000 0.93400238551574 0.75000000000000 15.999 > 51 80 O 0.50000000000000 0.93400238551574 0.75000000000000 15.999 > 51 81 O 0.46703800395865 0.17921291889217 0.44430612734844 15.999 > 53 82 O 0.96703800395865 0.17921291889217 0.44430612734844 15.999 > 53 83 O 0.03296199604135 0.17921291889217 0.05569387265156 15.999 > 55 84 O 0.53296199604135 0.17921291889217 0.05569387265156 15.999 > 55 85 O 0.03296199604135 0.82078708110783 0.55569387265156 15.999 > 57 86 O 0.53296199604135 0.82078708110783 0.55569387265156 15.999 > 57 87 O 0.46703800395865 0.82078708110783 0.94430612734844 15.999 > 59 88 O 0.96703800395865 0.82078708110783 0.94430612734844 15.999 > 59 89 O 0.41112901653003 0.53583618726376 0.40681412885351 15.999 > 61 90 O 0.91112901653003 0.53583618726376 0.40681412885351 15.999 > 61 91 O 0.08887098346997 0.53583618726376 0.09318587114649 15.999 > 63 92 O 0.58887098346997 0.53583618726376 0.09318587114649 15.999 > 63 93 O 0.08887098346997 0.46416381273625 0.59318587114649 15.999 > 65 94 O 0.58887098346997 0.46416381273625 0.59318587114649 15.999 > 65 95 O 0.41112901653003 0.46416381273625 0.90681412885351 15.999 > 67 96 O 0.91112901653003 0.46416381273625 0.90681412885351 15.999 > 67 97 O 0.13280607002461 0.28904791173165 0.31429914292462 15.999 > 69 98 O 0.63280607002461 0.28904791173165 0.31429914292462 15.999 > 69 99 O 0.36719392997539 0.28904791173165 0.18570085707538 15.999 > 71 100 O 0.86719392997539 0.28904791173165 0.18570085707538 15.999 > 71 101 O 0.36719392997539 0.71095208826835 0.68570085707538 15.999 > 73 102 O 0.86719392997539 0.71095208826835 0.68570085707538 15.999 > 73 103 O 0.13280607002461 0.71095208826835 0.81429914292462 15.999 > 75 104 O 0.63280607002461 0.71095208826835 0.81429914292462 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5643323 0.0000000 0.0542262 0.0000000 2.5214068 0.0000000 0.0542185 0.0000000 2.6221534 -------------------------- Born effective charges -------------------------- 1 Na 1.1296124 0.0960212 -0.0956540 -0.0216186 1.0994789 -0.1125803 -0.0906981 0.0038567 1.1120156 2 Na 1.1296124 -0.0960212 -0.0956540 0.0216186 1.0994789 0.1125803 -0.0906981 -0.0038567 1.1120156 3 Na 1.1296124 0.0960212 -0.0956540 -0.0216186 1.0994789 -0.1125803 -0.0906981 0.0038567 1.1120156 4 Na 1.1296124 -0.0960212 -0.0956540 0.0216186 1.0994789 0.1125803 -0.0906981 -0.0038567 1.1120156 5 Na 1.1087350 -0.0901425 0.0463046 0.0215903 1.1309634 0.0347212 0.0060469 0.0713084 1.0595070 6 Na 1.1087350 0.0901425 0.0463046 -0.0215903 1.1309634 -0.0347212 0.0060469 -0.0713084 1.0595070 7 Na 1.1087350 -0.0901425 0.0463046 0.0215903 1.1309634 0.0347212 0.0060469 0.0713084 1.0595070 8 Na 1.1087350 0.0901425 0.0463046 -0.0215903 1.1309634 -0.0347212 0.0060469 -0.0713084 1.0595070 9 As 2.8324650 0.2059347 0.3111610 -0.0478081 2.6124717 -0.0904859 0.2994149 0.3289682 3.2621771 10 As 2.8324650 -0.2059347 0.3111610 0.0478081 2.6124717 0.0904859 0.2994149 -0.3289682 3.2621771 11 As 2.8324650 0.2059347 0.3111610 -0.0478081 2.6124717 -0.0904859 0.2994149 0.3289682 3.2621771 12 As 2.8324650 -0.2059347 0.3111610 0.0478081 2.6124717 0.0904859 0.2994149 -0.3289682 3.2621771 13 O -1.3395188 0.0000000 -0.7797706 0.0000000 -1.2349857 0.0000000 -0.8718680 0.0000000 -2.5504591 14 O -1.3395188 0.0000000 -0.7797706 0.0000000 -1.2349857 0.0000000 -0.8718680 0.0000000 -2.5504591 15 O -1.5526214 0.0309723 0.2219879 0.1054877 -1.1061983 -0.0747505 0.4355956 -0.0817047 -1.5885233 16 O -1.5526214 -0.0309723 0.2219879 -0.1054877 -1.1061983 0.0747505 0.4355956 0.0817047 -1.5885233 17 O -1.5526214 0.0309723 0.2219879 0.1054877 -1.1061983 -0.0747505 0.4355956 -0.0817047 -1.5885233 18 O -1.5526214 -0.0309723 0.2219879 -0.1054877 -1.1061983 0.0747505 0.4355956 0.0817047 -1.5885233 19 O -1.5289386 0.3828313 -0.2112404 0.3804980 -1.5255178 0.1914084 -0.2602923 0.2377914 -1.3051383 20 O -1.5289386 -0.3828313 -0.2112404 -0.3804980 -1.5255178 -0.1914084 -0.2602923 -0.2377914 -1.3051383 21 O -1.5289386 0.3828313 -0.2112404 0.3804980 -1.5255178 0.1914084 -0.2602923 0.2377914 -1.3051383 22 O -1.5289386 -0.3828313 -0.2112404 -0.3804980 -1.5255178 -0.1914084 -0.2602923 -0.2377914 -1.3051383 23 O -1.3194932 -0.3998485 0.1173264 -0.3396067 -1.5937050 0.1899319 0.0458670 0.0863011 -1.2648085 24 O -1.3194932 0.3998485 0.1173264 0.3396067 -1.5937050 -0.1899319 0.0458670 -0.0863011 -1.2648085 25 O -1.3194932 -0.3998485 0.1173264 -0.3396067 -1.5937050 0.1899319 0.0458670 0.0863011 -1.2648085 26 O -1.3194932 0.3998485 0.1173264 0.3396067 -1.5937050 -0.1899319 0.0458670 -0.0863011 -1.2648085 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:07:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.988176940283750 -5.063491099999999 0.000000000000000 b 2.988176940283750 5.063491099999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): 1 Na 0.02004363533878 0.66669015400475 0.12825256558477 22.990 2 Na 0.33330984599525 0.97995636466122 0.37174743441523 22.990 3 Na 0.97995636466122 0.33330984599525 0.87174743441523 22.990 4 Na 0.66669015400475 0.02004363533878 0.62825256558477 22.990 5 Na 0.32105777766180 0.29701800528755 0.09600155362885 22.990 6 Na 0.70298199471245 0.67894222233820 0.40399844637115 22.990 7 Na 0.67894222233820 0.70298199471245 0.90399844637115 22.990 8 Na 0.29701800528755 0.32105777766180 0.59600155362885 22.990 9 As 0.99076353937462 0.29708253234693 0.36165067119214 74.922 10 As 0.70291746765307 0.00923646062538 0.13834932880786 74.922 11 As 0.00923646062538 0.70291746765307 0.63834932880786 74.922 12 As 0.29708253234693 0.99076353937462 0.86165067119214 74.922 13 O 0.93400238551574 0.06599761448426 0.25000000000000 15.999 14 O 0.06599761448426 0.93400238551574 0.75000000000000 15.999 15 O 0.75486308902513 0.11328892680946 0.44430612734844 15.999 16 O 0.88671107319054 0.24513691097487 0.05569387265156 15.999 17 O 0.24513691097487 0.88671107319054 0.55569387265156 15.999 18 O 0.11328892680946 0.75486308902513 0.94430612734844 15.999 19 O 0.28642184579630 0.35809422032381 0.40681412885351 15.999 20 O 0.64190577967619 0.71357815420370 0.09318587114649 15.999 21 O 0.71357815420370 0.64190577967619 0.59318587114649 15.999 22 O 0.35809422032381 0.28642184579630 0.90681412885351 15.999 23 O 0.97656422831757 0.55466005178086 0.31429914292462 15.999 24 O 0.44533994821914 0.02343577168243 0.18570085707538 15.999 25 O 0.02343577168243 0.44533994821914 0.68570085707538 15.999 26 O 0.55466005178086 0.97656422831757 0.81429914292462 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.952707761134999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.126982199999999 0.000000000000000 c -0.610938002573336 0.000000000000000 12.293575060490403 Atomic positions (fractional): 1 Na 0.17168344733588 0.32332325933298 0.12825256558477 22.990 > 1 2 Na 0.67168344733588 0.32332325933298 0.12825256558477 22.990 > 1 3 Na 0.32831655266412 0.32332325933298 0.37174743441523 22.990 > 3 4 Na 0.82831655266412 0.32332325933298 0.37174743441523 22.990 > 3 5 Na 0.32831655266412 0.67667674066702 0.87174743441523 22.990 > 5 6 Na 0.82831655266412 0.67667674066702 0.87174743441523 22.990 > 5 7 Na 0.17168344733588 0.67667674066702 0.62825256558477 22.990 > 7 8 Na 0.67168344733588 0.67667674066702 0.62825256558477 22.990 > 7 9 Na 0.15451894573734 0.98798011381288 0.09600155362885 22.990 > 9 10 Na 0.65451894573734 0.98798011381288 0.09600155362885 22.990 > 9 11 Na 0.34548105426266 0.98798011381288 0.40399844637115 22.990 > 11 12 Na 0.84548105426266 0.98798011381288 0.40399844637115 22.990 > 11 13 Na 0.34548105426266 0.01201988618712 0.90399844637115 22.990 > 13 14 Na 0.84548105426266 0.01201988618712 0.90399844637115 22.990 > 13 15 Na 0.15451894573734 0.01201988618712 0.59600155362885 22.990 > 15 16 Na 0.65451894573734 0.01201988618712 0.59600155362885 22.990 > 15 17 Na 0.42168344733588 0.82332325933298 0.12825256558477 22.990 > 1 18 Na 0.92168344733588 0.82332325933298 0.12825256558477 22.990 > 1 19 Na 0.07831655266412 0.82332325933298 0.37174743441523 22.990 > 3 20 Na 0.57831655266412 0.82332325933298 0.37174743441523 22.990 > 3 21 Na 0.07831655266412 0.17667674066702 0.87174743441523 22.990 > 5 22 Na 0.57831655266412 0.17667674066702 0.87174743441523 22.990 > 5 23 Na 0.42168344733588 0.17667674066702 0.62825256558477 22.990 > 7 24 Na 0.92168344733588 0.17667674066702 0.62825256558477 22.990 > 7 25 Na 0.40451894573734 0.48798011381288 0.09600155362885 22.990 > 9 26 Na 0.90451894573734 0.48798011381288 0.09600155362885 22.990 > 9 27 Na 0.09548105426266 0.48798011381288 0.40399844637115 22.990 > 11 28 Na 0.59548105426266 0.48798011381288 0.40399844637115 22.990 > 11 29 Na 0.09548105426266 0.51201988618712 0.90399844637115 22.990 > 13 30 Na 0.59548105426266 0.51201988618712 0.90399844637115 22.990 > 13 31 Na 0.40451894573734 0.51201988618712 0.59600155362885 22.990 > 15 32 Na 0.90451894573734 0.51201988618712 0.59600155362885 22.990 > 15 33 As 0.32196151793039 0.65315949648616 0.36165067119214 74.922 > 33 34 As 0.82196151793039 0.65315949648616 0.36165067119214 74.922 > 33 35 As 0.17803848206961 0.65315949648616 0.13834932880786 74.922 > 35 36 As 0.67803848206961 0.65315949648616 0.13834932880786 74.922 > 35 37 As 0.17803848206961 0.34684050351384 0.63834932880786 74.922 > 37 38 As 0.67803848206961 0.34684050351384 0.63834932880786 74.922 > 37 39 As 0.32196151793039 0.34684050351384 0.86165067119214 74.922 > 39 40 As 0.82196151793039 0.34684050351384 0.86165067119214 74.922 > 39 41 As 0.07196151793039 0.15315949648616 0.36165067119214 74.922 > 33 42 As 0.57196151793039 0.15315949648616 0.36165067119214 74.922 > 33 43 As 0.42803848206961 0.15315949648616 0.13834932880786 74.922 > 35 44 As 0.92803848206961 0.15315949648616 0.13834932880786 74.922 > 35 45 As 0.42803848206961 0.84684050351384 0.63834932880786 74.922 > 37 46 As 0.92803848206961 0.84684050351384 0.63834932880786 74.922 > 37 47 As 0.07196151793039 0.84684050351384 0.86165067119214 74.922 > 39 48 As 0.57196151793039 0.84684050351384 0.86165067119214 74.922 > 39 49 O 0.25000000000000 0.56599761448426 0.25000000000000 15.999 > 49 50 O 0.75000000000000 0.56599761448426 0.25000000000000 15.999 > 49 51 O 0.25000000000000 0.43400238551574 0.75000000000000 15.999 > 51 52 O 0.75000000000000 0.43400238551574 0.75000000000000 15.999 > 51 53 O 0.21703800395865 0.67921291889217 0.44430612734844 15.999 > 53 54 O 0.71703800395865 0.67921291889217 0.44430612734844 15.999 > 53 55 O 0.28296199604135 0.67921291889217 0.05569387265156 15.999 > 55 56 O 0.78296199604135 0.67921291889217 0.05569387265156 15.999 > 55 57 O 0.28296199604135 0.32078708110783 0.55569387265156 15.999 > 57 58 O 0.78296199604135 0.32078708110783 0.55569387265156 15.999 > 57 59 O 0.21703800395865 0.32078708110783 0.94430612734844 15.999 > 59 60 O 0.71703800395865 0.32078708110783 0.94430612734844 15.999 > 59 61 O 0.16112901653003 0.03583618726376 0.40681412885351 15.999 > 61 62 O 0.66112901653003 0.03583618726376 0.40681412885351 15.999 > 61 63 O 0.33887098346997 0.03583618726376 0.09318587114649 15.999 > 63 64 O 0.83887098346997 0.03583618726376 0.09318587114649 15.999 > 63 65 O 0.33887098346997 0.96416381273624 0.59318587114649 15.999 > 65 66 O 0.83887098346997 0.96416381273624 0.59318587114649 15.999 > 65 67 O 0.16112901653003 0.96416381273624 0.90681412885351 15.999 > 67 68 O 0.66112901653003 0.96416381273624 0.90681412885351 15.999 > 67 69 O 0.38280607002461 0.78904791173165 0.31429914292462 15.999 > 69 70 O 0.88280607002461 0.78904791173165 0.31429914292462 15.999 > 69 71 O 0.11719392997539 0.78904791173165 0.18570085707538 15.999 > 71 72 O 0.61719392997539 0.78904791173165 0.18570085707538 15.999 > 71 73 O 0.11719392997539 0.21095208826835 0.68570085707538 15.999 > 73 74 O 0.61719392997539 0.21095208826835 0.68570085707538 15.999 > 73 75 O 0.38280607002461 0.21095208826835 0.81429914292462 15.999 > 75 76 O 0.88280607002461 0.21095208826835 0.81429914292462 15.999 > 75 77 O 0.00000000000000 0.06599761448426 0.25000000000000 15.999 > 49 78 O 0.50000000000000 0.06599761448426 0.25000000000000 15.999 > 49 79 O 0.00000000000000 0.93400238551574 0.75000000000000 15.999 > 51 80 O 0.50000000000000 0.93400238551574 0.75000000000000 15.999 > 51 81 O 0.46703800395865 0.17921291889217 0.44430612734844 15.999 > 53 82 O 0.96703800395865 0.17921291889217 0.44430612734844 15.999 > 53 83 O 0.03296199604135 0.17921291889217 0.05569387265156 15.999 > 55 84 O 0.53296199604135 0.17921291889217 0.05569387265156 15.999 > 55 85 O 0.03296199604135 0.82078708110783 0.55569387265156 15.999 > 57 86 O 0.53296199604135 0.82078708110783 0.55569387265156 15.999 > 57 87 O 0.46703800395865 0.82078708110783 0.94430612734844 15.999 > 59 88 O 0.96703800395865 0.82078708110783 0.94430612734844 15.999 > 59 89 O 0.41112901653003 0.53583618726376 0.40681412885351 15.999 > 61 90 O 0.91112901653003 0.53583618726376 0.40681412885351 15.999 > 61 91 O 0.08887098346997 0.53583618726376 0.09318587114649 15.999 > 63 92 O 0.58887098346997 0.53583618726376 0.09318587114649 15.999 > 63 93 O 0.08887098346997 0.46416381273625 0.59318587114649 15.999 > 65 94 O 0.58887098346997 0.46416381273625 0.59318587114649 15.999 > 65 95 O 0.41112901653003 0.46416381273625 0.90681412885351 15.999 > 67 96 O 0.91112901653003 0.46416381273625 0.90681412885351 15.999 > 67 97 O 0.13280607002461 0.28904791173165 0.31429914292462 15.999 > 69 98 O 0.63280607002461 0.28904791173165 0.31429914292462 15.999 > 69 99 O 0.36719392997539 0.28904791173165 0.18570085707538 15.999 > 71 100 O 0.86719392997539 0.28904791173165 0.18570085707538 15.999 > 71 101 O 0.36719392997539 0.71095208826835 0.68570085707538 15.999 > 73 102 O 0.86719392997539 0.71095208826835 0.68570085707538 15.999 > 73 103 O 0.13280607002461 0.71095208826835 0.81429914292462 15.999 > 75 104 O 0.63280607002461 0.71095208826835 0.81429914292462 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5643323 0.0000000 0.0542262 0.0000000 2.5214068 0.0000000 0.0542185 0.0000000 2.6221534 -------------------------- Born effective charges -------------------------- 1 Na 1.1296124 0.0960212 -0.0956540 -0.0216186 1.0994789 -0.1125803 -0.0906981 0.0038567 1.1120156 2 Na 1.1296124 -0.0960212 -0.0956540 0.0216186 1.0994789 0.1125803 -0.0906981 -0.0038567 1.1120156 3 Na 1.1296124 0.0960212 -0.0956540 -0.0216186 1.0994789 -0.1125803 -0.0906981 0.0038567 1.1120156 4 Na 1.1296124 -0.0960212 -0.0956540 0.0216186 1.0994789 0.1125803 -0.0906981 -0.0038567 1.1120156 5 Na 1.1087350 -0.0901425 0.0463046 0.0215903 1.1309634 0.0347212 0.0060469 0.0713084 1.0595070 6 Na 1.1087350 0.0901425 0.0463046 -0.0215903 1.1309634 -0.0347212 0.0060469 -0.0713084 1.0595070 7 Na 1.1087350 -0.0901425 0.0463046 0.0215903 1.1309634 0.0347212 0.0060469 0.0713084 1.0595070 8 Na 1.1087350 0.0901425 0.0463046 -0.0215903 1.1309634 -0.0347212 0.0060469 -0.0713084 1.0595070 9 As 2.8324650 0.2059347 0.3111610 -0.0478081 2.6124717 -0.0904859 0.2994149 0.3289682 3.2621771 10 As 2.8324650 -0.2059347 0.3111610 0.0478081 2.6124717 0.0904859 0.2994149 -0.3289682 3.2621771 11 As 2.8324650 0.2059347 0.3111610 -0.0478081 2.6124717 -0.0904859 0.2994149 0.3289682 3.2621771 12 As 2.8324650 -0.2059347 0.3111610 0.0478081 2.6124717 0.0904859 0.2994149 -0.3289682 3.2621771 13 O -1.3395188 0.0000000 -0.7797706 0.0000000 -1.2349857 0.0000000 -0.8718680 0.0000000 -2.5504591 14 O -1.3395188 0.0000000 -0.7797706 0.0000000 -1.2349857 0.0000000 -0.8718680 0.0000000 -2.5504591 15 O -1.5526214 0.0309723 0.2219879 0.1054877 -1.1061983 -0.0747505 0.4355956 -0.0817047 -1.5885233 16 O -1.5526214 -0.0309723 0.2219879 -0.1054877 -1.1061983 0.0747505 0.4355956 0.0817047 -1.5885233 17 O -1.5526214 0.0309723 0.2219879 0.1054877 -1.1061983 -0.0747505 0.4355956 -0.0817047 -1.5885233 18 O -1.5526214 -0.0309723 0.2219879 -0.1054877 -1.1061983 0.0747505 0.4355956 0.0817047 -1.5885233 19 O -1.5289386 0.3828313 -0.2112404 0.3804980 -1.5255178 0.1914084 -0.2602923 0.2377914 -1.3051383 20 O -1.5289386 -0.3828313 -0.2112404 -0.3804980 -1.5255178 -0.1914084 -0.2602923 -0.2377914 -1.3051383 21 O -1.5289386 0.3828313 -0.2112404 0.3804980 -1.5255178 0.1914084 -0.2602923 0.2377914 -1.3051383 22 O -1.5289386 -0.3828313 -0.2112404 -0.3804980 -1.5255178 -0.1914084 -0.2602923 -0.2377914 -1.3051383 23 O -1.3194932 -0.3998485 0.1173264 -0.3396067 -1.5937050 0.1899319 0.0458670 0.0863011 -1.2648085 24 O -1.3194932 0.3998485 0.1173264 0.3396067 -1.5937050 -0.1899319 0.0458670 -0.0863011 -1.2648085 25 O -1.3194932 -0.3998485 0.1173264 -0.3396067 -1.5937050 0.1899319 0.0458670 0.0863011 -1.2648085 26 O -1.3194932 0.3998485 0.1173264 0.3396067 -1.5937050 -0.1899319 0.0458670 -0.0863011 -1.2648085 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (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 ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.903 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.700 ( 0.000 0.000 0.000) 0.000 15.537 ( 0.000 0.000 0.000) 0.000 15.590 ( 0.000 0.000 0.000) 0.000 19.838 ( 0.000 0.000 0.000) 0.000 21.224 ( 0.000 0.000 0.000) 0.000 23.961 ( 0.000 0.000 0.000) 0.000 23.996 ( 0.000 0.000 0.000) 0.000 24.230 ( 0.000 0.000 0.000) 0.000 24.248 ( 0.000 0.000 0.000) 0.000 24.679 ( 0.000 0.000 0.000) 0.000 24.771 ( 0.000 0.000 0.000) 0.000 24.784 ( 0.000 0.000 0.000) 0.000 24.875 ( 0.000 0.000 0.000) 0.000 24.887 ( 0.000 0.000 0.000) 0.000 25.165 ( 0.000 0.000 0.000) 0.000 25.225 ( 0.000 0.000 0.000) 0.000 25.322 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 22.898 -8.060 5.557) 24.903 0.576 ( 24.156 -15.859 5.523) 29.420 0.997 ( 46.946 -18.022 1.943) 50.324 1.446 ( 3.675 0.543 8.208) 9.010 1.608 ( -5.496 -10.587 6.276) 13.478 1.712 ( 8.822 -0.300 -9.381) 12.881 1.947 ( 4.508 -9.455 2.919) 10.873 2.124 ( 10.872 -1.980 -14.598) 18.310 2.426 ( 18.917 -5.287 6.063) 20.557 2.620 ( 4.075 -0.268 -0.910) 4.184 2.890 ( 5.682 -0.989 0.693) 5.808 3.093 ( -0.183 -1.491 -2.690) 3.081 3.728 ( -3.063 9.394 -5.827) 11.471 3.870 ( -0.865 2.689 6.265) 6.872 3.969 ( -3.226 -4.236 11.181) 12.384 4.137 ( 4.307 0.511 -5.374) 6.906 4.326 ( -3.689 10.321 -4.901) 12.007 4.552 ( -0.217 -7.077 -5.343) 8.870 4.601 ( -10.259 2.437 -3.464) 11.098 4.829 ( -15.186 3.720 3.542) 16.031 5.049 ( -2.308 0.408 0.978) 2.540 5.137 ( -0.464 5.214 1.511) 5.448 5.208 ( -3.841 8.549 -0.815) 9.408 5.361 ( -3.026 6.859 6.129) 9.684 5.412 ( 1.610 -7.293 -3.925) 8.437 5.435 ( -7.414 6.377 -2.625) 10.125 5.508 ( -0.964 4.175 2.517) 4.969 5.597 ( -3.017 4.506 5.315) 7.593 5.767 ( 6.339 -0.578 1.357) 6.509 5.877 ( 1.292 -1.855 4.415) 4.960 5.915 ( 0.264 -9.344 -0.461) 9.359 6.039 ( -2.581 -0.282 -3.740) 4.553 6.079 ( -11.573 -1.620 3.199) 12.116 6.154 ( -12.258 -4.503 1.877) 13.193 6.316 ( -6.702 -9.147 -6.322) 12.983 6.407 ( -0.393 -2.150 0.862) 2.350 6.444 ( -9.999 -5.159 3.885) 11.903 6.621 ( 5.092 3.754 -3.937) 7.451 6.833 ( 10.999 -6.443 -0.041) 12.747 6.877 ( -1.612 -10.320 -6.278) 12.187 7.022 ( 10.424 8.242 -3.447) 13.728 7.439 ( -0.783 -0.615 -23.305) 23.326 7.634 ( 5.847 -1.009 -12.483) 13.822 8.043 ( 1.531 2.088 0.078) 2.590 8.196 ( 0.071 1.352 1.399) 1.947 8.228 ( -1.671 1.047 -3.481) 4.001 8.362 ( -1.014 -0.050 1.143) 1.529 8.429 ( -0.668 0.913 -0.938) 1.470 9.479 ( 0.368 -0.908 0.556) 1.127 9.895 ( -0.652 0.273 -3.325) 3.400 10.132 ( 9.498 20.097 49.808) 54.543 10.518 ( -7.088 -7.710 6.982) 12.587 10.606 ( -5.035 -6.998 31.176) 32.346 10.892 ( -3.340 1.180 -4.256) 5.537 11.041 ( 1.740 -4.234 2.555) 5.243 11.174 ( -4.971 -0.325 0.337) 4.993 11.269 ( 7.178 0.687 1.109) 7.295 11.445 ( -3.667 -1.128 -6.574) 7.612 12.295 ( 17.417 27.834 -4.339) 33.119 12.336 ( 3.044 4.352 2.906) 6.055 12.493 ( -0.832 0.739 -1.404) 1.791 12.689 ( 0.965 3.676 -2.192) 4.387 15.591 ( -0.573 -1.456 0.054) 1.565 15.692 ( -11.145 -20.696 -1.981) 23.590 20.074 ( 4.034 11.401 54.280) 55.611 21.111 ( -9.056 5.553 -8.594) 13.664 23.982 ( 1.586 0.443 -0.131) 1.652 24.001 ( 0.644 -0.097 0.013) 0.652 24.251 ( -0.375 -1.211 -0.210) 1.285 24.272 ( -2.943 -6.178 1.357) 6.976 24.730 ( 1.042 0.756 -2.271) 2.610 24.762 ( -2.904 -0.578 0.580) 3.017 24.822 ( -3.936 3.128 -0.626) 5.066 24.896 ( 0.623 -2.301 0.637) 2.468 25.112 ( 3.119 7.126 0.557) 7.798 25.169 ( -0.734 -1.619 -2.861) 3.368 25.492 ( 12.152 -0.672 6.028) 13.581 26.156 ( -0.434 -2.742 -31.960) 32.080 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 20.975 -6.592 3.970) 22.342 1.115 ( 21.645 -13.415 5.187) 25.988 1.522 ( 4.499 -0.233 2.537) 5.170 1.729 ( 6.999 -9.712 7.845) 14.313 1.821 ( 4.717 -7.198 -5.522) 10.225 1.903 ( 34.805 -10.945 1.604) 36.520 2.155 ( 7.766 -12.121 -7.124) 16.061 2.322 ( 12.782 -4.103 -1.933) 13.563 2.696 ( 7.408 1.277 -4.942) 8.996 2.885 ( 19.826 -7.309 3.990) 21.504 2.969 ( 1.257 1.116 1.709) 2.398 3.179 ( 8.279 -5.943 0.562) 10.207 3.609 ( 1.282 7.975 -4.539) 9.265 3.668 ( -15.132 10.770 6.286) 19.608 4.035 ( 3.947 -1.286 9.431) 10.304 4.133 ( 0.679 6.809 -4.127) 7.991 4.191 ( -3.822 0.925 -5.140) 6.472 4.425 ( -5.221 4.605 -7.227) 10.034 4.551 ( -13.363 -1.027 3.997) 13.986 4.595 ( -3.709 -3.843 -4.919) 7.261 4.917 ( -6.503 17.332 -0.079) 18.512 4.988 ( -8.674 1.417 -2.294) 9.084 5.016 ( -6.314 7.344 -1.021) 9.739 5.198 ( -2.796 6.599 -0.042) 7.167 5.336 ( -5.217 2.659 5.889) 8.305 5.364 ( -4.350 7.676 1.001) 8.880 5.439 ( -5.692 4.738 6.196) 9.656 5.631 ( 1.532 -5.973 0.482) 6.185 5.751 ( -7.007 10.363 -4.923) 13.444 5.844 ( -3.181 -4.407 1.176) 5.561 5.891 ( -0.086 1.281 2.376) 2.700 5.980 ( 1.014 -3.721 -2.645) 4.676 6.066 ( -5.361 -10.785 3.024) 12.417 6.117 ( -0.479 -4.851 -3.023) 5.736 6.233 ( -9.830 -5.645 2.533) 11.615 6.365 ( -1.614 -11.006 -0.848) 11.156 6.514 ( 2.946 -6.107 1.467) 6.938 6.707 ( 4.003 -1.287 -2.150) 4.723 6.929 ( -1.509 -5.682 -7.776) 9.749 7.045 ( 7.496 0.692 2.821) 8.039 7.092 ( 7.251 3.928 -2.146) 8.521 7.399 ( -3.176 -0.212 -3.228) 4.533 7.721 ( 3.873 -0.503 -6.594) 7.664 8.041 ( 0.826 2.927 2.122) 3.708 8.154 ( -2.776 1.280 0.786) 3.156 8.204 ( 0.295 2.040 -4.866) 5.285 8.330 ( -2.142 0.962 1.831) 2.978 8.401 ( -1.218 1.348 -0.605) 1.915 9.505 ( 0.877 -1.900 1.802) 2.761 9.867 ( -2.138 0.104 -4.008) 4.543 10.136 ( 3.638 7.415 23.195) 24.621 10.479 ( -6.611 -6.790 2.314) 9.755 10.620 ( 1.807 1.899 14.432) 14.669 10.832 ( -1.894 1.322 -0.972) 2.506 11.051 ( -5.347 0.629 -2.045) 5.759 11.141 ( -0.474 -4.819 3.820) 6.167 11.349 ( -1.024 -0.203 -7.909) 7.977 11.416 ( 4.050 -1.586 -1.367) 4.559 12.311 ( 7.157 10.187 0.669) 12.468 12.357 ( 4.814 5.448 1.751) 7.478 12.469 ( -1.038 0.505 -2.156) 2.445 12.658 ( 0.751 4.910 -2.748) 5.676 15.603 ( -0.130 -2.035 0.332) 2.066 15.711 ( -4.507 -9.775 -1.730) 10.902 20.075 ( 2.075 5.189 24.146) 24.785 20.842 ( -12.823 7.671 -11.285) 18.725 24.000 ( 1.221 0.866 -0.022) 1.497 24.027 ( 2.045 -0.415 0.069) 2.088 24.263 ( -0.120 -2.298 -0.688) 2.402 24.290 ( -1.079 -3.986 1.018) 4.253 24.663 ( -5.903 0.892 1.361) 6.124 24.746 ( -0.163 0.051 -0.261) 0.312 24.772 ( -0.007 1.020 -0.209) 1.042 24.934 ( 0.745 -2.515 1.330) 2.941 25.129 ( 3.175 1.378 1.206) 3.665 25.184 ( 1.027 -1.445 -4.461) 4.800 25.666 ( 7.494 1.465 7.198) 10.494 26.154 ( 0.512 -1.040 -14.109) 14.156 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 14.786 -3.761 2.290) 15.428 1.478 ( 7.597 -0.905 6.455) 10.010 1.676 ( 14.059 -5.961 0.541) 15.280 1.885 ( 5.826 -4.938 -6.686) 10.150 1.982 ( 5.675 -10.876 2.037) 12.436 2.324 ( 8.404 -7.629 -7.907) 13.833 2.493 ( 10.724 -9.041 3.202) 14.387 2.589 ( 8.579 -4.590 0.506) 9.743 2.852 ( 6.415 2.896 1.029) 7.113 2.963 ( 10.213 0.649 -4.080) 11.017 3.151 ( 1.032 0.444 4.831) 4.960 3.293 ( -6.536 4.871 3.577) 8.901 3.382 ( 7.266 -0.754 2.891) 7.856 3.672 ( 10.851 1.779 -4.746) 11.976 3.895 ( -13.598 7.820 0.413) 15.692 4.144 ( 0.291 0.979 -4.101) 4.226 4.201 ( 3.551 0.512 6.000) 6.991 4.284 ( -4.341 3.950 -1.213) 5.994 4.396 ( -7.502 0.477 0.745) 7.554 4.552 ( -1.811 4.199 -0.764) 4.636 4.679 ( -5.244 3.133 -4.011) 7.308 4.800 ( -3.280 4.885 -1.863) 6.172 4.891 ( -5.699 7.964 -2.177) 10.032 5.049 ( -7.920 5.296 4.880) 10.704 5.159 ( -10.580 2.504 -2.421) 11.138 5.227 ( -4.428 1.084 -0.493) 4.585 5.281 ( -5.113 5.642 5.299) 9.276 5.633 ( 1.298 1.092 -1.740) 2.430 5.730 ( 1.052 -0.862 -0.597) 1.485 5.779 ( -5.129 -1.691 0.395) 5.415 5.928 ( 3.938 -2.391 1.908) 4.986 6.050 ( -0.726 -5.405 -3.595) 6.532 6.076 ( -0.218 -5.384 0.423) 5.405 6.189 ( 3.864 -2.786 0.659) 4.809 6.235 ( -0.134 -8.131 1.685) 8.305 6.433 ( -1.566 -7.420 0.667) 7.613 6.634 ( 2.574 -7.593 -0.853) 8.063 6.758 ( -1.979 -6.269 -1.202) 6.683 6.920 ( 0.416 3.893 -3.532) 5.273 7.105 ( -0.069 0.984 1.978) 2.211 7.137 ( 2.516 3.206 -0.812) 4.155 7.328 ( -4.181 2.318 -0.210) 4.785 7.756 ( 1.643 1.476 -1.998) 2.978 8.017 ( -0.405 2.751 0.482) 2.822 8.101 ( -1.990 1.198 -0.083) 2.325 8.173 ( -0.745 2.021 -2.332) 3.174 8.281 ( -2.928 0.907 0.249) 3.075 8.367 ( -0.924 1.236 0.478) 1.615 9.548 ( 1.474 -2.363 3.457) 4.439 9.816 ( -3.577 -0.338 -4.478) 5.741 10.149 ( 2.624 3.452 13.154) 13.850 10.432 ( -5.538 -4.245 -1.761) 7.196 10.657 ( 4.223 3.218 11.971) 13.096 10.800 ( -0.484 1.150 -0.008) 1.248 10.949 ( -4.421 1.614 -1.976) 5.104 11.109 ( -7.306 -2.952 -7.561) 10.921 11.374 ( 2.785 -3.876 -1.992) 5.171 11.517 ( 5.252 -0.484 1.015) 5.371 12.332 ( 4.550 5.827 2.282) 7.737 12.384 ( 3.638 3.684 0.260) 5.184 12.449 ( -0.746 0.029 -1.465) 1.644 12.618 ( -0.058 3.855 -2.268) 4.473 15.624 ( 0.225 -1.834 0.439) 1.899 15.730 ( -2.162 -5.587 -1.236) 6.117 20.083 ( 1.799 2.721 12.986) 13.389 20.553 ( -11.457 6.504 -9.287) 16.119 24.008 ( 0.864 0.989 -0.127) 1.319 24.066 ( 2.096 -0.112 0.193) 2.108 24.291 ( 0.543 -2.686 -1.177) 2.982 24.315 ( -0.314 -3.289 0.803) 3.400 24.579 ( -3.190 0.413 -0.589) 3.270 24.716 ( -1.966 2.201 3.266) 4.402 24.780 ( 0.125 -0.988 0.299) 1.040 24.972 ( 1.078 -2.176 0.448) 2.469 25.192 ( 3.273 -2.885 -0.135) 4.365 25.211 ( 1.498 0.105 -3.595) 3.896 25.718 ( 1.886 4.171 4.781) 6.620 26.173 ( 1.390 -1.014 -6.102) 6.340 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 1.694 3.896 2.236) 4.801 1.588 ( 6.728 -3.553 0.928) 7.665 1.970 ( 12.988 -2.846 1.798) 13.417 2.073 ( 6.173 -6.575 -2.125) 9.265 2.164 ( 5.735 -7.492 -6.937) 11.710 2.437 ( -3.537 -2.926 1.431) 4.808 2.580 ( -0.585 -2.997 -4.909) 5.781 2.762 ( 4.486 -0.755 6.069) 7.584 2.778 ( -0.923 8.811 -0.976) 8.913 2.870 ( -4.340 0.658 3.026) 5.331 3.310 ( 5.721 -0.381 0.400) 5.748 3.375 ( 1.195 1.667 -1.095) 2.325 3.484 ( 6.946 -2.274 5.350) 9.058 3.650 ( -2.744 -2.107 -3.169) 4.692 3.811 ( 5.366 0.974 -1.228) 5.590 4.043 ( -8.278 9.956 0.960) 12.983 4.118 ( -6.190 -3.416 -0.237) 7.074 4.227 ( -0.565 8.066 1.763) 8.276 4.293 ( 1.177 6.995 -1.317) 7.215 4.560 ( 5.298 -2.942 1.991) 6.379 4.631 ( -7.091 -3.222 -3.021) 8.354 4.721 ( 2.807 7.632 -3.221) 8.747 4.799 ( 1.254 0.772 -0.789) 1.671 4.924 ( -3.834 0.297 6.326) 7.403 4.989 ( -7.854 -0.659 -2.636) 8.311 5.145 ( -5.755 0.203 4.136) 7.090 5.193 ( -0.802 1.890 -3.677) 4.212 5.620 ( -1.383 0.211 -1.552) 2.089 5.705 ( -3.583 -1.120 1.733) 4.135 5.803 ( 4.975 0.626 -1.250) 5.167 6.012 ( 0.146 -1.310 1.154) 1.751 6.078 ( 1.374 -4.816 -0.700) 5.057 6.166 ( 2.767 -5.619 -0.508) 6.284 6.241 ( 2.063 0.185 -0.145) 2.077 6.413 ( 10.601 -6.954 2.485) 12.920 6.466 ( -0.693 -4.125 -0.410) 4.202 6.712 ( -2.166 -6.035 -5.491) 8.442 6.784 ( -1.396 -5.787 2.338) 6.396 6.877 ( -0.421 4.153 -2.143) 4.692 6.998 ( -6.545 4.812 2.712) 8.564 7.125 ( -4.307 2.758 -0.754) 5.170 7.228 ( -1.120 3.828 0.313) 4.001 7.766 ( 1.985 1.787 1.224) 2.938 7.978 ( -1.357 1.559 -1.547) 2.582 8.071 ( -0.529 0.564 0.025) 0.774 8.149 ( -0.073 1.023 -0.160) 1.038 8.214 ( -3.628 0.564 -0.993) 3.803 8.351 ( -0.079 0.711 0.739) 1.028 9.605 ( 2.400 -1.972 4.735) 5.663 9.749 ( -4.130 0.003 -4.968) 6.460 10.178 ( 2.637 1.548 7.264) 7.882 10.377 ( -4.104 -1.825 -3.109) 5.462 10.709 ( 4.111 2.726 9.125) 10.373 10.788 ( -0.146 0.371 -0.085) 0.407 10.879 ( -1.926 1.656 -1.059) 2.752 11.008 ( -6.189 -2.739 -8.730) 11.046 11.458 ( 2.455 -2.724 0.312) 3.680 11.590 ( 2.795 -0.275 0.696) 2.894 12.348 ( 2.232 2.954 1.307) 3.926 12.404 ( 2.110 1.913 -1.282) 3.123 12.440 ( -0.303 0.025 0.881) 0.932 12.582 ( -0.515 1.847 -1.444) 2.400 15.643 ( 0.194 -1.064 0.248) 1.109 15.745 ( -0.860 -2.659 -0.562) 2.851 20.107 ( 2.260 0.944 6.972) 7.390 20.333 ( -7.631 3.817 -6.034) 10.450 24.010 ( 0.384 0.639 -0.098) 0.752 24.095 ( 1.252 0.079 0.194) 1.269 24.321 ( 0.183 -1.745 -0.325) 1.784 24.346 ( 0.477 -2.223 -0.157) 2.279 24.551 ( 0.003 -0.482 -3.357) 3.392 24.651 ( -3.100 2.527 5.534) 6.828 24.789 ( -0.090 -0.780 0.273) 0.831 25.013 ( 1.247 -1.628 -0.253) 2.066 25.221 ( 0.392 0.376 -2.151) 2.219 25.281 ( 3.075 -3.387 -0.324) 4.586 25.680 ( -0.864 4.306 2.243) 4.931 26.200 ( 0.991 -0.634 -2.001) 2.322 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 -0.000 0.000) 0.000 1.681 ( 0.000 -0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.133 ( -0.000 -0.000 -0.000) 0.000 2.293 ( 0.000 -0.000 0.000) 0.000 2.341 ( 0.000 -0.000 -0.000) 0.000 2.609 ( 0.000 -0.000 -0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.847 ( -0.000 -0.000 -0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 -0.000 -0.000) 0.000 3.599 ( 0.000 -0.000 -0.000) 0.000 3.707 ( 0.000 -0.000 0.000) 0.000 3.844 ( 0.000 -0.000 0.000) 0.000 3.877 ( 0.000 -0.000 -0.000) 0.000 4.090 ( 0.000 -0.000 0.000) 0.000 4.157 ( 0.000 -0.000 0.000) 0.000 4.280 ( 0.000 -0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.680 ( -0.000 -0.000 -0.000) 0.000 4.713 ( 0.000 -0.000 0.000) 0.000 4.768 ( 0.000 -0.000 0.000) 0.000 4.921 ( -0.000 -0.000 0.000) 0.000 4.922 ( 0.000 -0.000 -0.000) 0.000 5.094 ( 0.000 -0.000 -0.000) 0.000 5.172 ( 0.000 -0.000 -0.000) 0.000 5.605 ( 0.000 -0.000 -0.000) 0.000 5.679 ( 0.000 -0.000 0.000) 0.000 5.850 ( 0.000 -0.000 0.000) 0.000 6.003 ( 0.000 -0.000 -0.000) 0.000 6.128 ( 0.000 -0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 -0.000 -0.000) 0.000 6.479 ( 0.000 -0.000 0.000) 0.000 6.634 ( -0.000 -0.000 -0.000) 0.000 6.722 ( -0.000 0.000 0.000) 0.000 6.732 ( 0.000 -0.000 -0.000) 0.000 6.846 ( 0.000 -0.000 0.000) 0.000 6.925 ( 0.000 -0.000 -0.000) 0.000 7.007 ( 0.000 -0.000 0.000) 0.000 7.216 ( 0.000 -0.000 -0.000) 0.000 7.781 ( 0.000 -0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 8.065 ( 0.000 -0.000 0.000) 0.000 8.147 ( 0.000 -0.000 0.000) 0.000 8.173 ( 0.000 -0.000 0.000) 0.000 8.347 ( 0.000 -0.000 0.000) 0.000 9.673 ( 0.000 -0.000 0.000) 0.000 9.675 ( -0.000 0.000 -0.000) 0.000 10.202 ( 0.000 -0.000 -0.000) 0.000 10.345 ( 0.000 -0.000 0.000) 0.000 10.740 ( 0.000 -0.000 -0.000) 0.000 10.785 ( 0.000 -0.000 -0.000) 0.000 10.851 ( 0.000 -0.000 -0.000) 0.000 10.964 ( 0.000 -0.000 0.000) 0.000 11.494 ( 0.000 -0.000 -0.000) 0.000 11.615 ( 0.000 -0.000 0.000) 0.000 12.352 ( 0.000 -0.000 -0.000) 0.000 12.413 ( 0.000 -0.000 0.000) 0.000 12.438 ( 0.000 0.000 -0.000) 0.000 12.567 ( 0.000 -0.000 0.000) 0.000 15.650 ( 0.000 -0.000 -0.000) 0.000 15.751 ( 0.000 -0.000 0.000) 0.000 20.139 ( 0.000 -0.000 0.000) 0.000 20.232 ( 0.000 -0.000 0.000) 0.000 24.009 ( 0.000 -0.000 -0.000) 0.000 24.105 ( 0.000 -0.000 0.000) 0.000 24.331 ( 0.000 -0.000 0.000) 0.000 24.362 ( 0.000 -0.000 0.000) 0.000 24.578 ( 0.000 -0.000 -0.000) 0.000 24.588 ( 0.000 -0.000 0.000) 0.000 24.792 ( 0.000 -0.000 0.000) 0.000 25.034 ( 0.000 -0.000 0.000) 0.000 25.220 ( 0.000 -0.000 -0.000) 0.000 25.331 ( 0.000 -0.000 0.000) 0.000 25.644 ( 0.000 -0.000 -0.000) 0.000 26.211 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 24.366 -0.000 -3.999) 24.692 0.938 ( 25.894 -0.000 8.559) 27.272 1.536 ( 3.064 -0.000 1.040) 3.236 1.571 ( 10.766 -0.000 15.863) 19.172 1.741 ( 43.530 -0.000 2.388) 43.595 1.920 ( 13.521 -0.000 -12.127) 18.163 1.922 ( -0.381 0.000 0.349) 0.517 2.288 ( 11.950 -0.000 -6.355) 13.535 2.712 ( 7.729 -0.000 -7.073) 10.477 2.811 ( 24.800 -0.000 4.182) 25.150 3.003 ( 6.214 -0.000 7.434) 9.689 3.088 ( 2.024 -0.000 -3.847) 4.347 3.724 ( -1.955 0.000 -4.946) 5.319 3.764 ( -10.188 0.000 3.798) 10.873 4.012 ( 4.998 -0.000 13.267) 14.178 4.142 ( -5.705 0.000 -3.756) 6.831 4.278 ( -3.736 0.000 -6.137) 7.184 4.460 ( -5.790 0.000 -7.547) 9.512 4.499 ( -12.895 0.000 0.924) 12.928 4.574 ( -4.437 0.000 -0.699) 4.492 5.013 ( -2.119 0.000 2.501) 3.278 5.145 ( -14.039 0.000 -13.503) 19.479 5.159 ( -6.234 0.000 -0.175) 6.236 5.319 ( -6.437 0.000 12.756) 14.288 5.360 ( 1.875 -0.000 0.900) 2.080 5.370 ( -2.714 0.000 3.421) 4.367 5.521 ( -7.340 0.000 1.494) 7.490 5.553 ( 0.307 -0.000 1.709) 1.737 5.751 ( -12.059 0.000 7.882) 14.406 5.799 ( 0.795 -0.000 -2.234) 2.372 5.917 ( 0.405 -0.000 -7.102) 7.113 5.972 ( 3.725 -0.000 -0.119) 3.727 6.008 ( -0.018 0.000 0.303) 0.304 6.110 ( -8.474 0.000 -8.191) 11.786 6.115 ( -1.886 0.000 4.377) 4.766 6.166 ( -11.789 0.000 6.031) 13.242 6.447 ( 3.473 -0.000 2.788) 4.454 6.642 ( -1.752 0.000 -9.846) 10.001 6.937 ( 7.411 -0.000 -6.466) 9.836 6.985 ( 11.335 -0.000 5.015) 12.395 7.179 ( 3.803 -0.000 -0.207) 3.809 7.393 ( -1.927 0.000 -6.298) 6.586 7.716 ( 5.259 -0.000 -9.334) 10.714 8.075 ( 0.891 -0.000 1.803) 2.011 8.165 ( -3.507 0.000 0.359) 3.525 8.225 ( 0.359 -0.000 -5.709) 5.721 8.344 ( -2.032 0.000 3.611) 4.143 8.416 ( -1.492 0.000 -0.640) 1.623 9.485 ( 0.803 -0.000 1.691) 1.871 9.869 ( -2.398 0.000 -4.357) 4.974 10.269 ( -4.865 0.000 33.076) 33.432 10.360 ( -0.885 0.000 -4.163) 4.257 10.642 ( 2.918 -0.000 16.942) 17.192 10.855 ( -1.516 0.000 1.452) 2.099 11.052 ( -1.014 0.000 -1.752) 2.024 11.087 ( -2.844 0.000 2.779) 3.976 11.346 ( -5.377 0.000 -11.293) 12.508 11.401 ( 7.236 -0.000 3.407) 7.998 12.372 ( 2.223 -0.000 7.108) 7.448 12.469 ( -1.979 0.000 0.474) 2.035 12.507 ( 0.269 -0.000 -6.665) 6.671 12.711 ( -0.395 0.000 -3.301) 3.325 15.562 ( 1.600 -0.000 1.249) 2.029 15.593 ( 0.381 -0.000 -1.878) 1.917 20.146 ( -1.847 0.000 33.592) 33.643 20.919 ( -14.589 0.000 -13.447) 19.841 24.016 ( 2.101 -0.000 0.134) 2.105 24.017 ( 1.463 -0.000 -0.023) 1.464 24.239 ( -0.170 0.000 -0.263) 0.313 24.240 ( 0.418 -0.000 0.154) 0.445 24.673 ( -6.211 0.000 1.789) 6.464 24.740 ( -0.066 0.000 -0.317) 0.324 24.796 ( -0.682 0.000 -1.820) 1.943 24.904 ( 1.379 -0.000 2.827) 3.145 25.130 ( -0.974 0.000 -1.821) 2.065 25.198 ( 3.077 -0.000 -0.420) 3.106 25.686 ( 9.823 -0.000 8.318) 12.872 26.130 ( 0.417 -0.000 -21.089) 21.093 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 18.797 -0.661 -3.522) 19.135 1.385 ( 20.806 -6.866 4.354) 22.338 1.622 ( 5.613 0.613 2.676) 6.249 1.820 ( 12.725 -5.006 10.716) 17.373 1.876 ( 2.695 3.454 -6.501) 7.840 2.151 ( 8.706 -9.005 -11.115) 16.746 2.352 ( 19.878 -3.742 5.269) 20.902 2.504 ( 11.701 -2.329 -0.703) 11.952 2.925 ( 19.444 2.259 -7.622) 21.006 2.993 ( -0.043 4.338 0.659) 4.388 3.099 ( 6.902 -4.163 5.028) 9.500 3.223 ( 2.370 -5.332 3.434) 6.770 3.515 ( -13.823 6.098 1.499) 15.182 3.741 ( 8.120 3.124 -3.601) 9.416 3.974 ( -13.158 2.479 6.758) 14.998 4.073 ( -7.422 -6.966 5.911) 11.771 4.222 ( 0.875 5.004 -8.004) 9.480 4.312 ( -1.590 -2.238 4.238) 5.050 4.428 ( 3.018 0.972 -5.785) 6.597 4.541 ( -4.596 -1.316 -3.600) 5.984 4.892 ( -6.365 8.142 -15.453) 18.590 4.974 ( -4.362 8.149 3.006) 9.720 4.997 ( -3.211 5.311 1.466) 6.377 5.148 ( -10.536 3.525 12.624) 16.816 5.220 ( -9.941 4.724 3.117) 11.440 5.304 ( -9.139 4.438 -0.763) 10.188 5.451 ( -2.767 7.779 4.005) 9.176 5.525 ( -2.383 -8.320 -0.027) 8.655 5.660 ( -5.384 -9.034 2.605) 10.834 5.780 ( -0.492 6.893 -5.611) 8.902 5.891 ( -7.676 -9.144 1.327) 12.012 5.913 ( -0.006 -0.413 -5.531) 5.547 6.027 ( 4.581 0.349 -4.765) 6.619 6.086 ( 4.617 -4.287 -1.325) 6.438 6.148 ( 3.739 -2.430 2.200) 4.973 6.233 ( 1.342 -10.463 4.390) 11.426 6.513 ( 1.991 -3.839 1.773) 4.674 6.635 ( -1.029 -3.004 -2.767) 4.211 7.005 ( 3.283 3.176 -5.795) 7.379 7.110 ( 1.055 -0.427 5.847) 5.957 7.208 ( 2.396 2.396 -1.411) 3.670 7.360 ( -1.461 0.862 -1.299) 2.137 7.778 ( 2.990 0.654 -4.495) 5.438 8.071 ( -0.408 2.039 2.465) 3.225 8.113 ( -2.387 0.095 -0.341) 2.413 8.201 ( -2.257 0.693 -6.632) 7.039 8.297 ( -3.519 0.550 4.437) 5.689 8.384 ( -1.810 0.421 0.495) 1.923 9.513 ( 1.808 -1.010 2.822) 3.500 9.812 ( -3.707 -0.117 -4.627) 5.930 10.222 ( -0.007 3.275 15.908) 16.241 10.355 ( -2.385 -3.173 -2.447) 4.663 10.699 ( 3.154 0.849 9.847) 10.374 10.841 ( 0.652 2.326 5.209) 5.742 10.973 ( -4.644 0.487 -2.374) 5.238 11.054 ( -6.348 -2.059 -7.107) 9.749 11.314 ( 2.470 -1.804 -4.241) 5.229 11.510 ( 5.079 -0.249 3.611) 6.237 12.407 ( 1.499 2.042 6.610) 7.078 12.437 ( -1.280 -0.568 2.215) 2.620 12.484 ( 1.162 3.902 -8.241) 9.192 12.676 ( -2.131 1.695 -3.011) 4.060 15.597 ( 1.272 -0.566 0.048) 1.393 15.625 ( 1.211 -3.904 -0.535) 4.123 20.135 ( -0.538 1.815 18.304) 18.402 20.644 ( -14.371 2.456 -12.130) 18.965 24.033 ( 1.346 1.455 0.039) 1.983 24.058 ( 1.933 -0.830 -0.039) 2.104 24.249 ( 0.900 -1.184 -0.295) 1.516 24.259 ( 0.463 -1.922 0.200) 1.987 24.584 ( -3.990 0.105 0.009) 3.991 24.728 ( -1.921 -0.478 2.371) 3.089 24.794 ( 1.337 1.709 -0.538) 2.236 24.932 ( 0.718 -1.512 2.472) 2.985 25.141 ( 2.137 -1.364 -3.094) 4.000 25.244 ( 3.153 1.472 -1.005) 3.622 25.801 ( 4.565 3.453 7.424) 9.374 26.126 ( -0.650 -2.706 -11.112) 11.455 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 8.079 1.442 -5.485) 9.871 1.579 ( 2.442 2.685 3.477) 5.027 1.812 ( 11.283 -12.056 -5.356) 17.359 1.995 ( 12.418 1.156 0.482) 12.481 2.074 ( 10.795 -4.051 2.645) 11.829 2.343 ( 4.908 -6.306 -3.435) 8.698 2.522 ( -0.103 -1.774 1.109) 2.095 2.688 ( 6.433 -4.140 1.813) 7.862 2.867 ( -2.228 4.512 -1.400) 5.223 3.031 ( -11.161 10.315 4.027) 15.722 3.228 ( 2.277 -8.268 0.492) 8.590 3.343 ( 5.518 -2.744 -3.466) 7.070 3.415 ( 8.113 -4.797 1.663) 9.571 3.605 ( -21.111 -1.712 8.213) 22.717 3.885 ( 6.736 5.595 -2.261) 9.044 3.985 ( -11.101 -4.166 0.868) 11.888 4.186 ( 1.098 3.761 -4.987) 6.342 4.368 ( -6.624 3.837 1.289) 7.763 4.434 ( 9.085 -2.030 3.204) 9.845 4.549 ( 2.372 -1.332 -4.456) 5.221 4.710 ( -1.855 17.238 -6.735) 18.600 4.836 ( -0.794 6.816 -0.843) 6.914 4.896 ( -1.537 2.226 -3.949) 4.787 4.971 ( -7.144 0.803 13.262) 15.085 5.039 ( -3.611 10.591 0.819) 11.219 5.144 ( -5.567 1.014 2.678) 6.260 5.302 ( -1.327 8.038 -0.813) 8.187 5.602 ( -2.741 -9.001 0.495) 9.422 5.663 ( -0.743 3.035 -5.004) 5.899 5.707 ( -2.629 -7.258 1.282) 7.825 5.919 ( -4.573 -11.957 0.274) 12.805 5.980 ( 4.251 -4.384 -4.059) 7.332 6.125 ( 8.559 2.737 -2.761) 9.400 6.227 ( 2.365 -3.351 2.810) 4.972 6.251 ( 8.527 -5.715 -3.515) 10.850 6.366 ( 5.236 -5.312 3.397) 8.196 6.591 ( 0.832 -6.166 -0.278) 6.228 6.659 ( 0.290 -4.164 2.927) 5.099 6.971 ( -2.517 4.061 -6.474) 8.046 7.061 ( -5.584 1.586 5.636) 8.091 7.197 ( -0.843 3.679 -1.075) 3.925 7.312 ( -1.594 3.618 -0.599) 3.999 7.799 ( 1.320 1.347 -0.858) 2.072 8.026 ( -2.047 3.179 -0.719) 3.849 8.079 ( -1.385 0.259 0.308) 1.443 8.153 ( -2.320 -1.052 -3.768) 4.548 8.228 ( -3.984 0.908 4.656) 6.195 8.354 ( -1.555 -0.192 0.502) 1.645 9.570 ( 3.298 -1.387 3.952) 5.331 9.748 ( -3.490 -0.100 -5.031) 6.124 10.222 ( 1.859 2.705 8.097) 8.737 10.339 ( -2.178 -2.107 -1.331) 3.309 10.740 ( 1.440 0.638 1.776) 2.374 10.824 ( -0.404 2.869 1.076) 3.091 10.912 ( -1.474 1.285 0.002) 1.956 10.950 ( -5.499 -2.747 -5.136) 8.010 11.405 ( 4.634 -2.343 -0.173) 5.195 11.579 ( 2.328 -0.654 3.347) 4.129 12.382 ( -1.980 0.508 0.256) 2.060 12.449 ( 0.811 1.066 7.736) 7.852 12.462 ( 1.135 3.019 -8.216) 8.827 12.614 ( -2.906 1.250 -1.994) 3.739 15.624 ( 1.229 -0.701 -1.114) 1.801 15.685 ( 1.706 -2.956 0.922) 3.536 20.130 ( 0.453 1.185 9.844) 9.925 20.397 ( -10.728 2.440 -8.271) 13.764 24.032 ( 0.412 1.568 0.010) 1.621 24.089 ( 0.775 -0.720 -0.012) 1.058 24.288 ( 1.658 -1.408 -0.023) 2.175 24.295 ( 1.378 -2.507 -0.292) 2.876 24.543 ( -1.003 -0.317 -2.298) 2.527 24.683 ( -3.816 0.388 5.334) 6.570 24.802 ( 1.915 2.317 -0.222) 3.014 24.967 ( 0.812 -2.859 0.480) 3.011 25.211 ( 4.119 -0.856 -3.208) 5.290 25.274 ( 2.703 1.346 -0.155) 3.023 25.785 ( -0.619 6.235 3.577) 7.214 26.144 ( -1.080 -4.676 -4.030) 6.266 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.028 2.115 -4.406) 6.333 1.689 ( 6.140 0.866 -2.648) 6.743 2.035 ( 2.873 -8.192 -4.596) 9.822 2.135 ( 2.555 -0.618 0.717) 2.724 2.284 ( 12.035 0.449 -0.023) 12.043 2.401 ( 1.677 3.563 7.549) 8.515 2.499 ( -4.656 -5.193 -0.500) 6.992 2.735 ( -7.140 -1.359 -0.444) 7.281 2.800 ( -3.541 1.866 -2.852) 4.915 2.895 ( 5.437 2.440 4.502) 7.469 3.223 ( -11.483 -6.152 -1.203) 13.083 3.340 ( 0.012 -2.636 3.286) 4.213 3.439 ( -2.360 -12.128 1.183) 12.412 3.638 ( 1.801 -4.873 -0.970) 5.285 3.785 ( -11.937 -0.291 -4.948) 12.925 3.887 ( -2.802 1.754 3.167) 4.578 4.148 ( -1.937 3.652 -2.244) 4.704 4.276 ( 0.886 2.514 3.946) 4.762 4.484 ( 1.250 12.834 -1.022) 12.935 4.526 ( -2.196 5.721 -4.926) 7.862 4.648 ( 5.625 -4.014 1.657) 7.106 4.749 ( -2.629 3.466 -3.394) 5.518 4.876 ( -0.744 5.534 10.692) 12.062 4.925 ( 3.194 0.462 -5.029) 5.976 4.974 ( 5.803 9.218 2.422) 11.159 5.087 ( -0.773 -0.110 2.591) 2.706 5.250 ( 3.076 6.334 -2.547) 7.488 5.620 ( -0.934 -1.913 -0.702) 2.242 5.627 ( -0.292 -1.391 -2.368) 2.762 5.752 ( -4.169 -8.385 0.730) 9.393 5.968 ( -0.154 -6.729 -1.474) 6.890 6.070 ( -0.482 -5.748 -0.390) 5.781 6.226 ( 7.327 5.399 -0.751) 9.132 6.299 ( 4.032 -1.533 0.010) 4.314 6.412 ( 2.356 -4.691 -2.123) 5.663 6.585 ( 14.644 -4.597 1.868) 15.462 6.642 ( -0.861 -3.409 0.989) 3.652 6.735 ( 1.250 -4.283 3.129) 5.449 6.835 ( -5.730 2.886 -5.121) 8.208 6.971 ( -2.454 0.504 4.876) 5.482 7.078 ( -6.002 7.010 -1.740) 9.391 7.260 ( -0.419 3.164 -0.652) 3.258 7.794 ( -0.943 1.200 -1.039) 1.846 7.960 ( -2.146 0.735 -2.320) 3.245 8.062 ( -0.781 -0.225 0.267) 0.855 8.144 ( -0.136 -1.391 -0.286) 1.426 8.171 ( -1.864 0.699 5.260) 5.625 8.336 ( -1.407 -0.985 -0.230) 1.733 9.654 ( 4.757 -0.921 4.622) 6.696 9.690 ( -2.537 0.572 -5.412) 6.004 10.218 ( -1.043 1.448 -1.194) 2.147 10.344 ( 2.036 -0.131 3.582) 4.123 10.715 ( -4.195 -1.397 -7.682) 8.863 10.795 ( -0.567 -0.107 -3.967) 4.009 10.865 ( -1.285 1.157 -0.748) 1.884 10.970 ( 4.175 0.853 9.620) 10.522 11.486 ( 2.790 -0.718 0.040) 2.881 11.605 ( -0.441 -0.885 2.841) 3.008 12.341 ( -3.118 -0.872 -1.058) 3.406 12.429 ( -1.318 1.594 -1.958) 2.848 12.456 ( 0.351 1.362 1.295) 1.912 12.565 ( -2.038 -0.240 -0.268) 2.069 15.648 ( 1.146 -0.184 -1.385) 1.807 15.739 ( 2.141 -1.093 1.442) 2.803 20.140 ( 0.111 0.137 3.647) 3.652 20.239 ( -4.943 0.550 -3.474) 6.066 24.020 ( -0.164 1.067 0.072) 1.082 24.098 ( -0.577 -0.769 -0.128) 0.970 24.326 ( 1.738 -0.458 0.358) 1.833 24.344 ( 1.644 -1.596 -0.514) 2.348 24.552 ( 1.580 -1.107 -4.409) 4.812 24.613 ( -3.815 1.006 6.123) 7.285 24.811 ( 1.701 2.019 -0.617) 2.711 25.009 ( 0.797 -2.325 0.114) 2.461 25.240 ( 0.596 1.854 -0.480) 2.005 25.342 ( 5.563 0.483 -0.859) 5.649 25.691 ( -3.434 4.900 0.916) 6.053 26.164 ( -1.951 -4.618 -0.702) 5.062 ======================= Grid point 16 (11/117) ======================= q-point: (-0.50 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -3.496 -1.857 -4.983) 6.364 1.677 ( -3.873 4.441 -3.302) 6.755 2.029 ( -7.110 3.141 0.173) 7.775 2.129 ( -2.423 1.401 -0.767) 2.902 2.366 ( 0.456 8.672 9.893) 13.163 2.466 ( 7.869 -0.591 -1.992) 8.138 2.489 ( -3.068 -11.473 3.686) 12.435 2.630 ( -3.705 -0.711 2.476) 4.513 2.775 ( -2.245 -1.829 -6.574) 7.184 2.904 ( -1.768 2.620 0.163) 3.165 3.212 ( -0.925 -9.219 -2.637) 9.633 3.348 ( -1.068 -0.854 3.251) 3.527 3.493 ( -7.879 -1.739 -7.715) 11.164 3.644 ( -3.826 -3.694 3.722) 6.491 3.691 ( -1.877 -15.616 -0.829) 15.750 3.811 ( -4.832 0.039 0.788) 4.896 4.098 ( -2.442 -3.023 -0.225) 3.892 4.281 ( 2.176 4.705 3.935) 6.508 4.379 ( 5.727 13.774 -2.782) 15.174 4.511 ( 0.683 -5.097 1.413) 5.333 4.642 ( -2.146 4.471 -1.521) 5.187 4.775 ( 1.097 -2.228 1.153) 2.738 4.856 ( 6.436 11.046 1.583) 12.882 4.930 ( -0.152 0.968 -5.822) 5.904 5.017 ( 6.536 3.000 10.481) 12.711 5.120 ( 3.630 -0.541 -2.494) 4.438 5.252 ( 3.843 5.809 -0.894) 7.022 5.635 ( 2.993 1.297 -1.936) 3.793 5.670 ( 1.181 -4.087 -2.278) 4.826 5.723 ( -6.956 -5.969 1.001) 9.220 6.033 ( 1.176 -1.048 -1.705) 2.321 6.079 ( -2.410 -4.744 1.371) 5.495 6.257 ( -1.169 2.936 2.398) 3.967 6.309 ( 0.481 7.164 -1.878) 7.422 6.438 ( -0.999 -0.773 -3.640) 3.853 6.558 ( -4.809 2.604 -0.032) 5.469 6.764 ( 1.581 0.286 4.166) 4.465 6.795 ( -2.851 -3.941 1.044) 4.975 6.888 ( 10.839 -5.982 0.712) 12.401 6.918 ( -0.369 7.376 0.538) 7.405 7.068 ( 9.175 -4.032 -1.346) 10.112 7.218 ( -1.308 2.614 -0.488) 2.963 7.741 ( -3.345 -0.371 -3.252) 4.680 7.955 ( 0.606 -1.252 0.731) 1.572 8.055 ( -0.751 -0.990 -0.342) 1.289 8.136 ( -1.176 -0.122 2.464) 2.733 8.196 ( 3.034 -1.240 3.101) 4.512 8.327 ( -0.862 -1.431 -0.774) 1.842 9.641 ( -1.530 1.573 -5.172) 5.618 9.748 ( 5.216 0.012 4.614) 6.964 10.163 ( -3.689 -0.095 -7.337) 8.213 10.412 ( 6.011 1.599 5.275) 8.156 10.649 ( -4.933 -2.989 -9.619) 11.216 10.788 ( -0.484 -0.255 -3.251) 3.297 10.861 ( 1.733 0.075 0.546) 1.819 11.056 ( 6.609 2.159 11.519) 13.455 11.504 ( -0.191 1.742 -0.204) 1.765 11.587 ( -2.791 -0.548 2.253) 3.629 12.291 ( -4.710 -2.423 -1.601) 5.534 12.380 ( -3.488 -0.474 -1.590) 3.862 12.448 ( -0.133 0.536 0.138) 0.569 12.546 ( -1.640 -1.678 1.247) 2.657 15.662 ( 0.920 0.759 -1.400) 1.839 15.781 ( 2.752 0.972 1.691) 3.373 20.098 ( -3.440 0.120 -4.112) 5.362 20.256 ( 3.621 -3.741 3.623) 6.343 24.008 ( -0.478 0.414 0.186) 0.659 24.087 ( -1.438 -0.690 -0.341) 1.631 24.350 ( 1.289 1.092 0.515) 1.766 24.372 ( 0.971 0.403 -0.192) 1.069 24.561 ( -1.595 0.483 4.571) 4.866 24.605 ( 3.136 -1.839 -5.008) 6.188 24.815 ( 1.033 1.746 -1.115) 2.315 25.029 ( -0.164 -0.080 0.586) 0.613 25.223 ( -0.633 0.930 1.777) 2.103 25.389 ( 2.525 6.475 0.127) 6.951 25.618 ( -1.794 -1.568 -2.019) 3.124 26.167 ( -2.798 -3.921 1.072) 4.934 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -7.660 -2.013 -6.594) 10.306 1.536 ( -4.565 5.122 -2.454) 7.286 1.796 ( -13.036 6.159 2.033) 14.560 1.997 ( -8.523 6.042 0.623) 10.466 2.239 ( -0.223 13.534 5.346) 14.553 2.478 ( -7.105 8.348 4.698) 11.927 2.552 ( -2.528 -9.220 4.633) 10.624 2.654 ( -8.252 5.386 -3.539) 10.470 2.760 ( 6.488 -11.295 -5.359) 14.085 2.899 ( 3.353 -3.204 -5.452) 7.157 3.127 ( -15.079 4.181 1.080) 15.686 3.283 ( -4.949 2.083 0.686) 5.413 3.384 ( -4.114 -2.779 -3.168) 5.890 3.690 ( -3.715 0.534 -1.022) 3.890 3.721 ( 3.778 -5.662 2.965) 7.424 3.879 ( -1.348 -19.231 -0.903) 19.300 4.151 ( 2.121 -9.350 1.409) 9.690 4.259 ( 0.675 5.818 3.256) 6.701 4.453 ( 11.746 2.550 -2.196) 12.219 4.544 ( -1.937 5.937 -2.917) 6.893 4.634 ( 4.094 -7.800 3.545) 9.496 4.766 ( -0.154 3.744 3.510) 5.135 4.870 ( 9.172 7.707 -1.846) 12.121 4.984 ( 5.745 -2.844 -4.783) 7.998 5.116 ( 4.534 -0.831 13.807) 14.556 5.195 ( 3.702 -2.073 -3.676) 5.614 5.266 ( 4.121 3.079 -2.941) 5.925 5.614 ( -7.213 -2.626 -1.706) 7.863 5.698 ( 2.679 -0.725 -1.155) 3.006 5.753 ( 2.694 -3.323 -1.677) 4.595 5.980 ( -4.497 0.622 -2.072) 4.991 6.090 ( -5.146 0.077 1.409) 5.336 6.166 ( 1.678 1.064 3.054) 3.644 6.288 ( 2.267 7.046 -0.017) 7.402 6.359 ( -1.379 5.920 -2.762) 6.677 6.521 ( 0.535 0.760 -0.361) 0.997 6.756 ( -3.318 -1.567 -1.688) 4.039 6.791 ( -1.273 4.172 5.674) 7.157 6.861 ( -0.999 -1.828 -1.296) 2.453 7.083 ( 6.241 -1.723 -0.141) 6.476 7.163 ( -0.341 4.693 0.985) 4.807 7.272 ( 8.589 -3.037 -0.753) 9.141 7.720 ( -0.428 -1.983 -0.681) 2.140 7.980 ( 0.204 -1.217 1.654) 2.064 8.064 ( 0.206 -2.427 -0.629) 2.516 8.132 ( -0.342 -1.695 1.578) 2.341 8.263 ( 2.902 -0.876 1.424) 3.349 8.339 ( 0.828 -1.379 0.212) 1.622 9.597 ( -0.964 2.463 -4.063) 4.848 9.826 ( 3.801 0.666 4.242) 5.735 10.095 ( -4.544 -1.961 -11.982) 12.964 10.513 ( 8.377 3.324 2.845) 9.451 10.595 ( -3.759 -2.306 -8.632) 9.693 10.784 ( -0.043 -0.902 -1.472) 1.727 10.924 ( 5.148 -0.670 1.197) 5.327 11.162 ( 7.431 2.377 9.795) 12.523 11.448 ( -3.406 3.041 0.266) 4.574 11.530 ( -3.792 0.987 2.443) 4.617 12.225 ( -7.235 -4.343 -0.809) 8.477 12.325 ( -4.618 -2.535 -2.906) 6.016 12.443 ( -0.385 -0.582 0.420) 0.815 12.540 ( -2.438 -3.681 1.740) 4.746 15.661 ( 0.656 1.750 -1.270) 2.260 15.817 ( 3.893 3.059 1.959) 5.324 20.044 ( -3.033 -1.044 -7.498) 8.155 20.407 ( 6.885 -7.764 5.832) 11.903 23.997 ( -0.706 -0.128 0.279) 0.770 24.064 ( -1.843 -0.318 -0.415) 1.915 24.344 ( 0.121 2.471 1.485) 2.886 24.373 ( 1.060 2.317 -0.773) 2.662 24.569 ( 2.227 -0.537 1.620) 2.806 24.673 ( 3.068 -1.711 -3.597) 5.028 24.807 ( 0.035 1.517 -1.231) 1.954 25.009 ( -1.116 1.444 0.504) 1.894 25.200 ( -2.068 0.690 2.462) 3.289 25.314 ( -1.070 7.643 1.803) 7.925 25.643 ( 0.234 -3.464 -4.802) 5.926 26.153 ( -2.991 -3.025 3.392) 5.441 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -15.977 6.190 -6.792) 18.431 1.386 ( -11.556 13.148 -4.121) 17.983 1.539 ( -6.249 1.665 -0.077) 6.467 1.815 ( -6.619 3.349 3.014) 8.007 2.123 ( 3.471 17.035 -1.803) 17.478 2.194 ( -16.756 12.965 5.069) 21.785 2.353 ( -14.433 9.273 -0.009) 17.155 2.486 ( -13.696 11.583 -0.819) 17.956 2.672 ( -5.118 -0.163 2.667) 5.774 2.925 ( 1.507 -1.942 -1.518) 2.889 3.097 ( -12.432 7.962 0.533) 14.773 3.193 ( -1.817 -6.128 -3.786) 7.429 3.412 ( 10.689 -9.674 -8.137) 16.555 3.536 ( -6.060 1.927 4.174) 7.606 3.957 ( 6.888 -9.092 4.599) 12.299 3.985 ( -5.271 -14.108 -0.996) 15.093 4.144 ( -4.113 3.570 2.306) 5.914 4.356 ( 8.578 -4.573 5.163) 11.007 4.533 ( 3.924 -3.130 -2.594) 5.650 4.637 ( 8.600 -0.586 1.309) 8.719 4.731 ( 3.864 1.068 -4.048) 5.697 4.808 ( 4.377 -10.382 1.839) 11.416 5.019 ( 11.846 2.358 0.493) 12.089 5.087 ( 1.129 -2.414 7.135) 7.617 5.232 ( 3.569 -4.664 1.116) 5.978 5.302 ( 3.391 -2.048 -0.001) 3.962 5.340 ( 8.906 -4.682 -7.587) 12.602 5.563 ( -0.392 -6.559 -0.267) 6.576 5.701 ( -2.318 0.793 -0.519) 2.505 5.845 ( 4.663 -1.796 -1.742) 5.292 5.904 ( -5.023 -0.859 -3.307) 6.074 6.018 ( -2.403 0.271 0.329) 2.441 6.189 ( -0.117 0.696 1.523) 1.678 6.261 ( 5.983 8.292 2.391) 10.501 6.353 ( 7.576 7.266 -0.385) 10.505 6.500 ( -3.100 -0.104 -0.707) 3.181 6.681 ( -0.758 9.691 -0.981) 9.770 6.707 ( -1.675 3.294 0.130) 3.698 6.859 ( -8.096 -9.517 1.290) 12.561 7.110 ( 0.246 4.967 2.276) 5.469 7.137 ( 1.398 4.566 0.649) 4.819 7.397 ( 4.536 -0.336 0.469) 4.573 7.728 ( -1.283 -0.104 2.522) 2.831 7.987 ( -1.014 -2.113 -0.628) 2.427 8.106 ( 0.787 -3.589 -0.436) 3.700 8.156 ( 0.061 -2.522 2.937) 3.872 8.315 ( 2.954 -0.659 -0.684) 3.102 8.377 ( 1.977 -0.535 1.731) 2.682 9.553 ( -0.932 2.795 -2.209) 3.683 9.869 ( 1.736 0.405 3.444) 3.878 10.024 ( -6.541 -4.022 -17.947) 19.520 10.556 ( -2.178 -1.310 -6.447) 6.930 10.625 ( 10.012 5.075 -4.206) 11.987 10.812 ( 2.569 -0.907 2.210) 3.509 11.039 ( 7.399 -0.313 1.536) 7.564 11.239 ( 3.183 4.544 -0.279) 5.555 11.354 ( -5.019 0.428 3.947) 6.399 11.465 ( -0.506 3.238 6.079) 6.906 12.122 ( -12.235 -6.730 1.895) 14.092 12.275 ( -4.462 -4.166 -4.616) 7.653 12.447 ( -0.643 -1.835 0.504) 2.008 12.543 ( -2.810 -5.926 1.966) 6.847 15.649 ( 0.509 2.427 -0.881) 2.632 15.861 ( 6.114 4.966 2.217) 8.183 19.998 ( -3.738 -2.264 -12.289) 13.043 20.641 ( 8.403 -11.764 7.494) 16.284 23.987 ( -0.815 -0.385 0.240) 0.933 24.033 ( -1.751 0.204 -0.293) 1.787 24.318 ( 0.078 3.019 1.372) 3.317 24.367 ( 1.961 3.464 -1.444) 4.234 24.642 ( 5.256 -1.151 -0.571) 5.411 24.726 ( 1.542 -0.965 -0.699) 1.949 24.786 ( -0.604 1.381 -0.382) 1.555 24.976 ( -1.053 1.213 -0.665) 1.739 25.127 ( -4.666 2.044 0.288) 5.103 25.252 ( 0.560 4.710 4.605) 6.611 25.638 ( -4.013 -1.356 -7.110) 8.276 26.143 ( -1.336 -2.117 7.128) 7.555 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -14.917 11.918 -8.207) 20.783 0.937 ( -18.172 19.373 -3.778) 26.829 1.460 ( -4.403 3.484 -5.787) 8.063 1.568 ( -22.959 29.208 4.639) 37.440 1.734 ( -0.252 7.831 6.719) 10.321 1.973 ( 0.009 18.107 -6.502) 19.239 2.111 ( -6.997 6.585 -2.959) 10.054 2.225 ( -2.669 9.251 7.702) 12.329 2.614 ( -5.395 5.214 -0.753) 7.540 2.699 ( -13.758 14.966 0.003) 20.329 2.926 ( -3.867 2.464 -1.769) 4.915 3.119 ( -2.407 -0.704 1.529) 2.937 3.520 ( -0.239 -7.754 3.620) 8.561 3.760 ( 8.571 -12.282 -7.234) 16.632 3.978 ( 0.031 -3.012 -10.980) 11.386 4.067 ( 0.101 -3.737 2.991) 4.788 4.150 ( -2.929 -9.809 13.367) 16.837 4.531 ( 9.945 -1.419 3.281) 10.568 4.655 ( 4.792 2.034 2.602) 5.820 4.726 ( 2.245 -3.586 3.034) 5.206 4.887 ( 7.371 -11.516 -7.385) 15.540 4.979 ( 1.519 -10.379 -0.566) 10.504 5.132 ( 1.050 -8.901 2.075) 9.200 5.215 ( 6.503 -2.262 3.373) 7.667 5.329 ( 0.515 -2.413 -3.100) 3.962 5.341 ( 6.633 -4.392 3.612) 8.737 5.467 ( 2.011 -4.301 -8.025) 9.324 5.635 ( -1.786 4.509 -0.079) 4.850 5.793 ( -7.468 0.249 -2.587) 7.908 5.828 ( 11.966 -10.130 3.442) 16.052 5.905 ( 2.159 -2.008 -2.634) 3.954 6.006 ( 1.487 -0.413 -2.536) 2.968 6.154 ( -1.718 1.710 1.963) 3.119 6.321 ( 9.601 10.067 -1.485) 13.990 6.392 ( -4.572 -3.298 -0.701) 5.681 6.435 ( -2.580 0.060 4.274) 4.993 6.586 ( 2.697 12.325 1.504) 12.706 6.741 ( 16.885 10.004 -2.166) 19.745 6.774 ( -12.069 -9.093 0.462) 15.118 6.981 ( -8.459 6.267 0.889) 10.565 7.129 ( 4.686 9.037 3.400) 10.733 7.432 ( -2.344 -1.288 6.059) 6.623 7.666 ( -4.525 2.197 3.721) 6.257 7.993 ( -1.039 -2.662 -1.300) 3.140 8.145 ( -0.551 -3.666 -0.428) 3.732 8.188 ( 0.625 -2.697 2.183) 3.526 8.378 ( 3.807 0.047 1.055) 3.951 8.407 ( 1.124 0.359 1.200) 1.683 9.511 ( -0.739 2.269 -0.428) 2.424 9.883 ( -2.208 -1.055 -2.410) 3.434 9.912 ( -8.342 -3.993 -20.279) 22.289 10.538 ( -0.817 -0.792 -3.264) 3.457 10.745 ( 11.002 4.007 -15.254) 19.230 10.888 ( 5.384 1.235 7.522) 9.333 11.135 ( 2.167 3.553 -0.395) 4.180 11.200 ( 2.574 3.429 -2.965) 5.212 11.268 ( -4.454 0.961 1.895) 4.935 11.480 ( 2.918 2.272 6.578) 7.547 11.925 ( -21.559 -8.458 5.008) 23.694 12.264 ( -1.765 -4.888 -3.269) 6.139 12.459 ( -0.741 -3.087 0.508) 3.215 12.570 ( -1.838 -7.127 1.513) 7.514 15.631 ( 0.397 2.508 -0.287) 2.555 15.941 ( 9.890 5.387 2.223) 11.479 19.933 ( -5.955 -2.804 -17.020) 18.248 20.906 ( 6.307 -13.959 6.225) 16.534 23.976 ( -0.864 -0.189 0.100) 0.890 24.006 ( -0.940 0.421 -0.115) 1.036 24.293 ( 0.275 2.826 0.595) 2.901 24.376 ( 3.827 3.858 -2.021) 5.798 24.719 ( -0.836 -0.116 1.419) 1.651 24.755 ( 0.533 -2.010 -0.675) 2.187 24.787 ( 5.210 0.685 0.333) 5.266 24.950 ( -0.066 2.319 -0.122) 2.323 25.036 ( -4.303 -0.354 -1.081) 4.451 25.232 ( 1.839 4.351 4.817) 6.746 25.513 ( -9.943 1.202 -6.921) 12.174 26.167 ( 1.106 -1.335 9.772) 9.925 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 17.964 0.000) 17.964 0.507 ( 0.000 25.037 0.000) 25.037 0.929 ( 0.000 45.493 0.000) 45.493 1.399 ( 0.000 0.300 0.000) 0.300 1.686 ( 0.000 6.749 0.000) 6.749 1.843 ( 0.000 12.055 0.000) 12.055 1.974 ( 0.000 6.838 0.000) 6.838 2.076 ( 0.000 17.911 0.000) 17.911 2.331 ( 0.000 8.477 0.000) 8.477 2.610 ( 0.000 2.833 0.000) 2.833 2.847 ( 0.000 1.815 0.000) 1.815 3.111 ( 0.000 1.087 0.000) 1.087 3.637 ( -0.000 -13.274 -0.000) 13.274 3.835 ( -0.000 -0.854 -0.000) 0.854 4.071 ( -0.000 -0.084 -0.000) 0.084 4.082 ( -0.000 -0.471 -0.000) 0.471 4.223 ( -0.000 -13.174 -0.000) 13.174 4.640 ( 0.000 6.777 0.000) 6.777 4.733 ( -0.000 -0.357 -0.000) 0.357 4.751 ( -0.000 -14.434 -0.000) 14.434 5.038 ( -0.000 -7.524 -0.000) 7.524 5.151 ( -0.000 -13.528 -0.000) 13.528 5.232 ( -0.000 -4.746 -0.000) 4.746 5.331 ( -0.000 -16.457 -0.000) 16.457 5.363 ( -0.000 -1.827 -0.000) 1.827 5.496 ( 0.000 1.141 0.000) 1.141 5.497 ( -0.000 -0.090 -0.000) 0.090 5.556 ( 0.000 3.285 0.000) 3.285 5.687 ( 0.000 2.097 0.000) 2.097 5.870 ( -0.000 -1.139 -0.000) 1.139 6.010 ( 0.000 1.238 0.000) 1.238 6.044 ( 0.000 5.452 0.000) 5.452 6.229 ( -0.000 -1.995 -0.000) 1.995 6.291 ( -0.000 -9.065 -0.000) 9.065 6.360 ( 0.000 2.802 0.000) 2.802 6.442 ( 0.000 0.731 0.000) 0.731 6.560 ( -0.000 -0.607 -0.000) 0.607 6.703 ( 0.000 2.737 0.000) 2.737 6.724 ( 0.000 4.800 0.000) 4.800 7.008 ( 0.000 9.858 0.000) 9.858 7.055 ( 0.000 9.757 0.000) 9.757 7.356 ( -0.000 -3.288 -0.000) 3.288 7.598 ( 0.000 2.387 0.000) 2.387 8.002 ( -0.000 -1.637 -0.000) 1.637 8.170 ( -0.000 -2.774 -0.000) 2.774 8.225 ( -0.000 -2.745 -0.000) 2.745 8.401 ( 0.000 2.806 0.000) 2.806 8.430 ( -0.000 -1.784 -0.000) 1.784 9.486 ( 0.000 1.412 0.000) 1.412 9.745 ( 0.000 1.310 0.000) 1.310 9.900 ( -0.000 -0.323 -0.000) 0.323 10.536 ( -0.000 -0.495 -0.000) 0.495 10.875 ( -0.000 -2.979 -0.000) 2.979 10.928 ( 0.000 1.985 0.000) 1.985 11.083 ( 0.000 6.306 0.000) 6.306 11.202 ( 0.000 0.795 0.000) 0.795 11.268 ( 0.000 2.642 0.000) 2.642 11.480 ( 0.000 0.748 0.000) 0.748 11.645 ( 0.000 0.987 0.000) 0.987 12.295 ( -0.000 -3.751 -0.000) 3.751 12.484 ( -0.000 -2.455 -0.000) 2.455 12.625 ( -0.000 -6.789 -0.000) 6.789 15.612 ( 0.000 2.045 0.000) 2.045 16.058 ( -0.000 -0.509 -0.000) 0.509 19.846 ( 0.000 0.799 0.000) 0.799 21.098 ( -0.000 -11.970 -0.000) 11.970 23.965 ( 0.000 0.330 0.000) 0.330 23.996 ( 0.000 0.109 0.000) 0.109 24.271 ( 0.000 2.150 0.000) 2.150 24.407 ( 0.000 1.288 0.000) 1.288 24.686 ( 0.000 0.732 0.000) 0.732 24.759 ( -0.000 -0.884 -0.000) 0.884 24.868 ( -0.000 -0.677 -0.000) 0.677 24.919 ( 0.000 2.960 0.000) 2.960 25.012 ( -0.000 -1.812 -0.000) 1.812 25.223 ( 0.000 4.942 0.000) 4.942 25.350 ( 0.000 2.406 0.000) 2.406 26.205 ( -0.000 -1.522 -0.000) 1.522 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 13.729 -0.000 -10.787) 17.460 1.629 ( -3.666 0.000 1.109) 3.831 1.647 ( 13.394 -0.000 -0.677) 13.412 2.011 ( 9.550 -0.000 7.549) 12.174 2.038 ( 14.784 -0.000 0.206) 14.786 2.253 ( 9.286 -0.000 -6.537) 11.356 2.507 ( 3.103 -0.000 3.974) 5.043 2.641 ( 5.000 -0.000 -1.519) 5.226 2.977 ( -2.958 0.000 0.572) 3.013 3.069 ( -0.172 0.000 -3.794) 3.798 3.200 ( -5.516 0.000 8.358) 10.014 3.261 ( -16.845 0.000 -0.044) 16.845 3.357 ( 23.008 -0.000 -6.346) 23.868 3.589 ( -24.106 0.000 14.163) 27.958 3.936 ( -6.034 0.000 3.055) 6.763 3.969 ( 6.542 -0.000 -3.517) 7.428 4.218 ( -1.591 0.000 -9.829) 9.957 4.396 ( -2.998 0.000 2.420) 3.853 4.401 ( 1.700 -0.000 -0.435) 1.754 4.534 ( 5.590 -0.000 -2.788) 6.247 4.856 ( 0.013 -0.000 -12.858) 12.858 4.935 ( -5.238 0.000 -2.251) 5.701 4.978 ( -10.460 0.000 18.906) 21.606 5.026 ( -0.248 0.000 0.967) 0.998 5.122 ( -4.226 0.000 1.849) 4.613 5.205 ( -1.570 0.000 -0.560) 1.667 5.437 ( -0.445 0.000 -1.534) 1.598 5.503 ( -3.595 0.000 5.017) 6.172 5.547 ( -2.015 0.000 3.121) 3.715 5.675 ( -4.779 0.000 -2.067) 5.207 5.826 ( -5.757 0.000 -8.750) 10.474 5.864 ( 2.921 -0.000 -3.881) 4.858 6.101 ( 7.285 -0.000 -4.262) 8.440 6.201 ( 8.694 -0.000 -1.219) 8.779 6.232 ( 9.213 -0.000 1.377) 9.315 6.318 ( 9.661 -0.000 3.520) 10.283 6.506 ( -0.203 0.000 2.115) 2.125 6.627 ( 0.671 -0.000 3.090) 3.162 7.014 ( -3.019 0.000 -8.486) 9.007 7.073 ( -5.331 0.000 6.965) 8.771 7.238 ( -0.407 0.000 -0.590) 0.716 7.350 ( -0.973 0.000 -0.797) 1.257 7.813 ( 1.028 -0.000 -1.923) 2.181 8.076 ( -0.506 0.000 3.390) 3.427 8.081 ( -1.811 0.000 0.609) 1.910 8.125 ( -5.495 0.000 -9.383) 10.874 8.239 ( -3.850 0.000 7.262) 8.220 8.351 ( -2.215 0.000 0.240) 2.228 9.556 ( 3.718 -0.000 3.535) 5.130 9.746 ( -3.294 0.000 -4.956) 5.951 10.265 ( 2.216 -0.000 12.529) 12.724 10.304 ( -2.122 0.000 -4.581) 5.049 10.747 ( 1.785 -0.000 -0.170) 1.793 10.866 ( -8.368 0.000 -13.590) 15.960 10.903 ( 3.754 -0.000 13.967) 14.462 10.935 ( -4.029 0.000 -2.714) 4.858 11.379 ( 5.602 -0.000 -0.935) 5.680 11.572 ( 2.090 -0.000 4.366) 4.841 12.385 ( -3.041 0.000 -1.081) 3.227 12.459 ( 1.184 -0.000 8.818) 8.898 12.500 ( -0.066 0.000 -8.288) 8.288 12.627 ( -4.065 0.000 -2.180) 4.613 15.618 ( 1.462 -0.000 -2.822) 3.179 15.650 ( 3.372 -0.000 2.739) 4.344 20.144 ( -0.539 0.000 11.179) 11.192 20.422 ( -11.852 0.000 -9.265) 15.043 24.064 ( 0.312 -0.000 -0.829) 0.885 24.067 ( 0.603 -0.000 0.808) 1.008 24.266 ( 1.673 -0.000 -0.370) 1.713 24.273 ( 2.392 -0.000 0.163) 2.398 24.539 ( -1.255 0.000 -1.968) 2.335 24.683 ( -3.494 0.000 4.506) 5.702 24.845 ( 3.230 -0.000 0.148) 3.234 24.922 ( -0.654 0.000 1.105) 1.284 25.203 ( 6.084 -0.000 -3.491) 7.015 25.291 ( 1.605 -0.000 -0.456) 1.669 25.878 ( 0.976 -0.000 7.590) 7.652 26.067 ( -2.992 0.000 -8.281) 8.805 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -5.751 2.567 -9.119) 11.083 1.725 ( 7.862 3.297 -2.969) 9.027 1.847 ( 7.067 -9.100 -4.119) 12.236 2.106 ( 0.905 -1.687 3.199) 3.728 2.301 ( 14.938 0.791 4.003) 15.486 2.406 ( 6.091 -1.069 -4.930) 7.909 2.509 ( -0.931 3.561 6.330) 7.322 2.655 ( -4.533 -4.297 -0.499) 6.265 2.893 ( -11.884 6.322 0.173) 13.462 2.986 ( 3.953 7.056 0.040) 8.088 3.056 ( -16.283 -9.257 1.592) 18.798 3.177 ( 2.368 -10.809 -2.790) 11.411 3.315 ( -8.977 -1.907 10.523) 13.962 3.582 ( 2.715 -0.984 -2.112) 3.578 3.803 ( -9.903 0.940 0.203) 9.949 3.941 ( -5.733 2.785 -3.165) 7.117 4.220 ( -1.946 2.188 -1.995) 3.543 4.253 ( -3.230 -2.098 -0.296) 3.863 4.511 ( 0.768 0.445 0.681) 1.119 4.558 ( -0.376 -3.466 0.146) 3.489 4.800 ( -0.573 8.282 -7.821) 11.405 4.882 ( -0.467 1.269 -4.044) 4.264 4.913 ( 0.182 0.643 17.454) 17.467 4.988 ( 6.125 10.470 -4.110) 12.807 5.086 ( -1.842 0.802 4.494) 4.922 5.240 ( 9.345 10.869 -0.613) 14.347 5.386 ( 1.266 7.751 -0.264) 7.858 5.472 ( -1.838 -7.874 -0.242) 8.089 5.584 ( -1.717 -6.757 2.681) 7.470 5.701 ( -0.520 -1.439 -3.432) 3.758 5.726 ( -1.964 -7.273 -4.525) 8.788 5.955 ( 1.056 -7.146 -1.786) 7.441 6.234 ( 6.568 -2.355 -4.339) 8.217 6.361 ( 7.328 2.469 0.427) 7.745 6.370 ( 11.697 4.473 0.110) 12.524 6.517 ( 12.018 -1.885 1.818) 12.300 6.553 ( 3.365 -6.400 2.799) 7.753 6.647 ( -0.050 -2.144 3.166) 3.824 6.908 ( -6.406 2.745 -7.513) 10.247 6.966 ( -6.948 -0.453 5.985) 9.181 7.190 ( -3.455 3.275 -0.536) 4.791 7.306 ( -3.154 1.192 -0.969) 3.509 7.816 ( -0.093 0.691 -0.651) 0.954 7.982 ( -6.715 1.156 -5.440) 8.719 8.062 ( -0.863 0.552 0.462) 1.124 8.099 ( -0.021 -2.490 0.933) 2.659 8.189 ( -2.306 0.641 8.219) 8.560 8.319 ( -1.730 -0.513 -0.596) 1.900 9.641 ( 5.708 -0.338 4.136) 7.057 9.697 ( -2.023 0.138 -5.309) 5.683 10.248 ( -2.819 1.209 -4.748) 5.652 10.338 ( 4.331 -0.424 9.265) 10.236 10.704 ( -7.208 0.217 -13.628) 15.418 10.772 ( -0.309 -1.490 -5.695) 5.895 10.888 ( -1.287 0.841 -0.469) 1.607 10.991 ( 5.508 0.842 15.270) 16.255 11.472 ( 4.673 -0.505 -0.839) 4.775 11.589 ( -0.685 -0.546 4.478) 4.563 12.327 ( -4.018 -0.419 -1.611) 4.349 12.459 ( -2.047 0.884 4.692) 5.195 12.481 ( -0.488 1.026 -6.440) 6.539 12.558 ( -3.553 -0.362 0.419) 3.596 15.645 ( 1.823 -0.085 -2.698) 3.258 15.718 ( 3.707 -0.718 2.808) 4.705 20.143 ( -0.273 0.104 5.570) 5.578 20.249 ( -7.617 0.323 -5.273) 9.269 24.048 ( -0.484 1.523 -0.144) 1.605 24.077 ( -0.775 -1.259 0.098) 1.482 24.310 ( 2.660 -0.960 -0.156) 2.832 24.321 ( 2.941 -0.367 -0.107) 2.965 24.538 ( 1.198 -0.320 -3.724) 3.925 24.623 ( -3.884 0.114 5.712) 6.908 24.871 ( 1.926 3.787 -0.053) 4.249 24.948 ( 1.459 -3.741 0.232) 4.022 25.285 ( 1.211 2.377 -0.400) 2.697 25.333 ( 6.406 -1.379 -2.213) 6.916 25.824 ( -3.026 7.366 3.165) 8.569 26.042 ( -3.738 -6.853 -2.627) 8.236 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -3.810 2.465 -6.777) 8.156 1.731 ( -3.664 0.777 -4.303) 5.705 2.044 ( 6.391 -4.484 -1.311) 7.916 2.115 ( -1.473 -2.774 1.029) 3.305 2.280 ( -16.231 -0.953 6.681) 17.579 2.465 ( 2.737 0.274 -4.507) 5.280 2.542 ( 6.277 4.674 8.121) 11.278 2.618 ( -2.497 -0.930 -1.134) 2.895 2.708 ( -2.943 -2.439 0.377) 3.841 2.981 ( -6.239 2.463 -0.343) 6.717 3.008 ( 2.828 -8.050 -1.896) 8.740 3.295 ( 2.662 -5.278 3.241) 6.742 3.346 ( 2.797 -7.504 -4.130) 9.011 3.539 ( -7.054 -5.069 2.392) 9.010 3.618 ( -7.923 3.129 -4.642) 9.701 3.804 ( -7.699 -0.708 -0.418) 7.742 4.099 ( -5.652 1.960 0.077) 5.982 4.298 ( 1.329 -1.311 6.731) 6.985 4.456 ( -2.402 -0.707 -4.239) 4.924 4.603 ( 0.022 0.646 3.198) 3.263 4.720 ( 2.266 5.784 -4.268) 7.537 4.840 ( 1.645 7.880 -2.494) 8.427 4.957 ( 1.005 6.473 -3.782) 7.564 4.988 ( 5.438 2.095 14.720) 15.832 5.094 ( 3.418 0.557 2.585) 4.321 5.241 ( 6.891 14.739 -1.536) 16.343 5.375 ( 3.013 5.632 -3.134) 7.115 5.549 ( 1.215 -8.685 -0.484) 8.783 5.590 ( -4.824 -5.367 0.284) 7.222 5.681 ( 2.265 2.504 -5.217) 6.214 5.862 ( 1.821 -13.382 0.303) 13.508 6.009 ( -1.440 -3.837 -0.198) 4.103 6.319 ( -0.247 0.456 -1.517) 1.603 6.381 ( 2.980 3.926 2.025) 5.328 6.504 ( 3.394 5.645 -4.316) 7.875 6.570 ( -1.633 -0.724 -2.154) 2.798 6.704 ( 0.126 -4.698 3.533) 5.879 6.770 ( 6.678 -2.754 1.649) 7.409 6.796 ( 1.319 0.542 2.924) 3.253 6.953 ( 4.223 -4.815 -0.629) 6.435 7.083 ( -0.393 6.285 -0.443) 6.313 7.251 ( -2.286 -0.337 0.158) 2.316 7.762 ( -4.001 2.637 -4.221) 6.386 7.913 ( -1.735 -3.165 -1.615) 3.954 8.041 ( -1.433 -0.234 0.046) 1.453 8.127 ( -0.819 -1.198 3.380) 3.678 8.182 ( 2.671 0.216 6.392) 6.931 8.304 ( -0.667 -0.776 -1.001) 1.431 9.664 ( -0.916 0.744 -5.220) 5.352 9.750 ( 6.376 0.155 4.361) 7.726 10.168 ( -4.934 0.443 -8.692) 10.004 10.439 ( 7.152 1.113 8.398) 11.087 10.598 ( -4.925 -2.022 -9.986) 11.317 10.774 ( -0.465 -0.875 -5.960) 6.041 10.876 ( 1.361 1.089 -0.230) 1.759 11.093 ( 6.432 1.438 14.305) 15.750 11.527 ( 1.417 0.767 -0.445) 1.672 11.572 ( -2.072 -0.864 3.703) 4.330 12.254 ( -5.562 -1.309 -2.374) 6.187 12.385 ( -4.997 0.808 -0.569) 5.094 12.455 ( -1.513 0.160 -3.462) 3.782 12.519 ( -2.677 -1.030 3.053) 4.189 15.672 ( 1.730 0.335 -2.421) 2.994 15.788 ( 3.904 -0.058 2.635) 4.710 20.111 ( -3.483 1.140 -1.762) 4.067 20.190 ( -0.092 -2.886 1.482) 3.246 24.024 ( -0.766 1.094 0.068) 1.337 24.070 ( -1.342 -1.033 -0.215) 1.707 24.361 ( 2.425 -0.078 0.614) 2.503 24.371 ( 2.509 -0.143 -0.569) 2.576 24.567 ( -1.346 0.158 2.991) 3.284 24.581 ( 2.228 -0.681 -2.630) 3.514 24.858 ( 0.562 2.499 -0.997) 2.748 25.010 ( 1.981 -1.648 0.880) 2.723 25.255 ( -1.339 1.978 2.408) 3.392 25.463 ( 7.770 0.100 -3.349) 8.461 25.672 ( -5.631 7.678 0.377) 9.529 26.051 ( -3.949 -7.593 0.474) 8.572 ======================= Grid point 26 (19/117) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -3.315 1.776 -5.472) 6.639 1.609 ( -7.454 1.334 -0.282) 7.578 1.899 ( -15.139 2.896 6.335) 16.664 2.144 ( -3.233 8.177 -1.695) 8.955 2.257 ( 2.243 -15.753 0.263) 15.914 2.445 ( -2.538 2.598 1.408) 3.895 2.500 ( -3.082 -5.749 -1.895) 6.793 2.659 ( 0.273 5.292 1.015) 5.395 2.707 ( -3.364 -0.243 -1.206) 3.582 2.866 ( 2.462 -0.466 -1.536) 2.939 3.177 ( 1.733 -2.332 -3.294) 4.392 3.277 ( -3.444 -0.900 5.631) 6.662 3.378 ( -5.984 2.982 -5.039) 8.372 3.537 ( 3.720 -11.741 -1.432) 12.400 3.614 ( 2.631 -5.533 -1.835) 6.396 3.718 ( -4.425 -1.091 1.363) 4.757 4.020 ( -2.764 -3.071 -0.077) 4.132 4.316 ( 0.651 0.674 6.816) 6.880 4.485 ( 2.506 -2.178 -1.741) 3.749 4.567 ( 2.949 5.563 -2.366) 6.727 4.749 ( -2.378 7.233 2.907) 8.150 4.783 ( 6.205 2.486 5.782) 8.838 4.927 ( 1.917 -1.556 -6.647) 7.091 5.051 ( 3.547 4.763 7.393) 9.483 5.175 ( 7.499 2.461 3.725) 8.727 5.200 ( 2.701 8.804 -0.618) 9.229 5.346 ( 0.629 4.949 -3.517) 6.104 5.530 ( -7.642 -4.188 -1.922) 8.924 5.652 ( 0.763 -6.861 -2.606) 7.379 5.724 ( 5.533 1.763 -2.410) 6.288 5.968 ( -5.963 -0.571 -1.595) 6.199 6.008 ( 1.352 -8.313 -0.158) 8.423 6.198 ( -6.976 2.846 3.733) 8.408 6.392 ( -0.851 0.732 -1.287) 1.708 6.451 ( -0.062 2.255 -3.826) 4.441 6.536 ( -1.837 4.038 0.318) 4.448 6.713 ( -1.540 -1.824 1.647) 2.900 6.762 ( 0.718 -1.038 2.111) 2.460 6.918 ( 0.540 0.904 -0.945) 1.415 7.063 ( 7.043 -0.403 1.031) 7.130 7.164 ( 4.049 -3.288 -1.586) 5.452 7.262 ( 6.266 0.812 1.553) 6.506 7.696 ( -0.822 0.043 -2.914) 3.028 7.938 ( -0.159 -3.558 1.286) 3.787 8.022 ( -1.547 -1.340 -0.750) 2.180 8.112 ( -1.317 -0.541 3.397) 3.683 8.254 ( 4.089 0.297 1.536) 4.378 8.318 ( 1.976 -0.810 1.068) 2.388 9.639 ( -0.381 1.640 -4.376) 4.688 9.843 ( 4.496 0.973 4.220) 6.243 10.068 ( -5.966 -0.876 -12.027) 13.454 10.525 ( 0.084 -1.104 -5.921) 6.023 10.600 ( 7.559 1.543 6.734) 10.241 10.765 ( -0.728 -0.711 -5.333) 5.429 10.924 ( 5.557 0.602 -0.043) 5.590 11.201 ( 6.716 1.402 12.534) 14.289 11.486 ( -4.274 1.239 1.450) 4.680 11.558 ( -0.368 1.406 2.023) 2.491 12.161 ( -7.655 -2.382 -2.592) 8.426 12.290 ( -6.179 -0.860 -1.972) 6.542 12.423 ( -2.707 -1.462 -3.285) 4.501 12.484 ( -3.416 -1.800 3.755) 5.386 15.689 ( 1.344 1.086 -2.043) 2.676 15.854 ( 4.245 0.889 2.420) 4.967 20.043 ( -3.006 0.875 -3.667) 4.822 20.262 ( 2.642 -6.560 2.926) 7.654 24.002 ( -0.817 0.603 0.221) 1.039 24.054 ( -1.486 -0.678 -0.351) 1.671 24.384 ( 1.060 1.531 1.143) 2.185 24.404 ( 2.055 0.926 -0.584) 2.329 24.561 ( 1.388 -0.217 2.608) 2.962 24.648 ( 4.114 -0.939 -4.129) 5.903 24.839 ( -0.310 1.689 -1.074) 2.026 25.029 ( -0.737 0.552 0.659) 1.132 25.223 ( -0.716 1.449 4.537) 4.816 25.490 ( -3.614 9.482 1.089) 10.206 25.582 ( 2.996 -2.408 -6.053) 7.171 26.059 ( -3.321 -6.344 2.203) 7.492 ======================= Grid point 27 (20/117) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -9.177 4.418 -3.829) 10.881 1.518 ( -1.504 -0.094 -0.450) 1.572 1.644 ( -12.114 6.638 3.617) 14.279 1.920 ( -8.873 8.188 -1.378) 12.152 2.325 ( -7.856 4.516 6.008) 10.873 2.353 ( -10.988 -2.910 -1.765) 11.503 2.455 ( 4.561 2.021 1.511) 5.213 2.639 ( -0.290 7.611 -4.225) 8.710 2.712 ( -0.042 -7.931 -7.453) 10.883 2.927 ( -4.431 5.457 6.588) 9.634 3.017 ( 1.010 3.969 -6.049) 7.305 3.249 ( -2.094 3.352 -2.548) 4.702 3.339 ( 0.687 -2.509 1.758) 3.139 3.620 ( -4.974 4.976 2.202) 7.373 3.682 ( -2.195 -10.583 1.744) 10.948 3.807 ( 11.035 -8.639 -2.381) 14.215 4.108 ( 3.651 -9.840 0.569) 10.511 4.300 ( -1.734 3.235 3.037) 4.764 4.538 ( 1.488 -4.678 2.719) 5.612 4.588 ( 4.327 4.525 -1.630) 6.470 4.684 ( 1.161 1.224 3.143) 3.567 4.836 ( 2.819 3.456 0.819) 4.535 5.054 ( 4.077 2.176 -0.091) 4.622 5.101 ( 10.176 -6.074 -0.244) 11.853 5.151 ( -0.620 3.090 4.894) 5.821 5.256 ( 2.382 3.174 2.477) 4.678 5.337 ( 4.226 0.564 -3.825) 5.728 5.456 ( -3.412 -3.893 -3.175) 6.073 5.671 ( -5.746 -5.428 -0.610) 7.928 5.808 ( 6.320 0.326 -4.227) 7.610 5.883 ( -3.298 -0.584 -0.588) 3.400 6.004 ( -6.120 -1.103 -0.807) 6.271 6.150 ( -1.587 -3.928 0.674) 4.290 6.357 ( -2.015 -1.448 -0.383) 2.511 6.460 ( 3.031 2.586 -1.493) 4.255 6.483 ( -1.760 1.385 3.708) 4.331 6.691 ( -4.234 -3.860 1.844) 6.019 6.790 ( 3.985 3.788 -3.144) 6.334 6.870 ( 0.362 6.309 0.202) 6.322 7.145 ( 1.264 0.323 -0.526) 1.407 7.203 ( 1.898 0.780 1.371) 2.468 7.387 ( 5.025 -0.543 0.041) 5.055 7.715 ( 1.281 -0.919 -0.044) 1.578 7.953 ( -1.813 -1.944 1.508) 3.056 8.027 ( -0.576 -3.760 -0.635) 3.857 8.112 ( -0.292 -1.652 2.372) 2.905 8.303 ( 2.433 -0.444 -1.648) 2.972 8.387 ( 5.327 1.270 3.155) 6.320 9.608 ( -0.574 2.600 -2.720) 3.806 9.884 ( 1.360 0.933 3.351) 3.735 9.969 ( -6.182 -1.593 -13.924) 15.318 10.519 ( -1.111 -1.763 -5.201) 5.603 10.731 ( 7.380 4.454 -5.642) 10.302 10.790 ( 5.688 -1.060 7.331) 9.339 11.044 ( 9.042 0.779 0.422) 9.086 11.297 ( 4.218 0.981 8.073) 9.161 11.385 ( -4.656 3.144 -0.100) 5.619 11.532 ( 0.233 3.187 5.757) 6.584 12.034 ( -10.876 -2.928 -0.897) 11.299 12.198 ( -6.617 -3.325 -3.672) 8.266 12.386 ( -4.860 -4.207 -3.556) 7.346 12.457 ( -2.338 -2.592 3.757) 5.129 15.692 ( 0.882 1.853 -1.501) 2.543 15.919 ( 4.759 1.418 2.195) 5.429 19.983 ( -3.003 0.566 -5.716) 6.481 20.410 ( 4.100 -10.978 4.110) 12.419 23.985 ( -0.704 0.216 0.265) 0.782 24.034 ( -1.352 -0.176 -0.319) 1.400 24.375 ( 0.428 2.627 1.320) 2.971 24.423 ( 2.226 2.184 -1.001) 3.275 24.621 ( 4.578 -0.958 0.228) 4.683 24.715 ( 3.035 -0.232 -1.837) 3.555 24.814 ( -0.690 1.378 -0.302) 1.571 24.990 ( -2.429 0.517 -0.547) 2.543 25.188 ( -2.180 3.412 3.438) 5.312 25.358 ( -1.891 5.645 3.237) 6.777 25.615 ( -1.242 -0.722 -7.734) 7.866 26.077 ( -0.882 -4.383 3.958) 5.972 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -9.954 9.481 -3.530) 14.193 1.301 ( -13.866 15.861 -0.391) 21.071 1.513 ( -0.462 2.640 -1.190) 2.932 1.789 ( 0.672 5.409 0.585) 5.482 2.104 ( -9.445 8.519 6.225) 14.161 2.174 ( -7.394 2.789 -4.016) 8.865 2.359 ( -11.037 25.395 -2.879) 27.839 2.522 ( 8.444 12.073 0.070) 14.733 2.677 ( 2.277 5.325 1.161) 5.907 2.895 ( -0.583 -9.349 0.728) 9.396 2.970 ( -7.068 7.898 -0.545) 10.613 3.177 ( -5.592 12.505 -0.788) 13.721 3.455 ( 8.885 -13.333 -10.750) 19.295 3.503 ( -1.641 3.545 4.317) 5.822 3.752 ( -4.736 -15.278 5.148) 16.803 4.004 ( 4.563 -3.658 1.054) 5.942 4.109 ( -3.692 4.112 1.193) 5.654 4.434 ( 9.825 -13.401 2.021) 16.739 4.622 ( 6.426 4.140 1.894) 7.875 4.664 ( 0.973 -11.213 2.067) 11.444 4.729 ( 1.322 -3.874 0.383) 4.111 4.839 ( 1.861 1.898 -5.823) 6.401 5.023 ( -5.176 -0.733 5.042) 7.263 5.198 ( 2.417 -5.790 -1.227) 6.393 5.216 ( -3.252 -0.918 2.527) 4.219 5.309 ( 8.115 -2.969 -0.971) 8.696 5.441 ( 2.822 1.024 -2.735) 4.061 5.582 ( 12.382 -8.278 0.798) 14.916 5.655 ( 0.547 -5.940 2.867) 6.618 5.822 ( -2.980 2.688 -3.459) 5.298 5.884 ( -4.084 -1.241 -3.107) 5.279 5.932 ( 0.044 -5.026 -3.292) 6.008 6.139 ( -3.853 -3.112 0.542) 4.982 6.323 ( -5.919 -2.875 -0.959) 6.649 6.447 ( -1.856 0.728 7.826) 8.076 6.461 ( -1.702 0.302 -3.068) 3.521 6.677 ( 2.116 2.239 1.422) 3.393 6.805 ( 3.599 7.696 -1.798) 8.684 6.902 ( 13.135 6.105 0.071) 14.484 7.085 ( -5.060 3.694 -0.809) 6.317 7.231 ( 2.551 2.004 1.656) 3.643 7.404 ( -4.581 -0.937 0.422) 4.695 7.713 ( -1.139 2.238 1.054) 2.723 7.942 ( -1.443 -2.456 -0.292) 2.864 8.061 ( -0.565 -4.455 -0.110) 4.492 8.131 ( -0.267 -2.700 1.577) 3.138 8.351 ( 2.070 -1.489 -0.193) 2.557 8.455 ( 4.718 3.152 2.083) 6.044 9.566 ( -0.754 3.073 -0.894) 3.288 9.860 ( -6.448 -1.213 -12.569) 14.179 9.893 ( 0.291 1.000 1.515) 1.839 10.517 ( -0.476 -1.204 -2.556) 2.865 10.777 ( 3.443 -0.053 -8.920) 9.562 10.937 ( 8.743 3.112 8.606) 12.657 11.181 ( 7.427 2.173 0.688) 7.769 11.288 ( -0.079 2.722 1.371) 3.049 11.316 ( 0.076 5.216 -1.878) 5.545 11.531 ( 1.695 2.766 7.351) 8.035 11.842 ( -14.574 -1.703 1.533) 14.753 12.151 ( -3.513 -6.098 -2.672) 7.528 12.351 ( -4.985 -7.189 -2.413) 9.075 12.465 ( -0.719 -3.437 2.007) 4.044 15.681 ( 0.461 2.375 -0.737) 2.529 15.990 ( 4.685 0.699 1.636) 5.012 19.920 ( -3.055 0.844 -6.290) 7.044 20.610 ( 3.504 -14.941 3.678) 15.781 23.974 ( -0.468 0.047 0.164) 0.498 24.014 ( -0.854 0.289 -0.179) 0.919 24.354 ( 0.369 3.146 0.752) 3.256 24.438 ( 2.528 2.658 -1.278) 3.885 24.712 ( 3.453 -1.096 -1.037) 3.768 24.736 ( -0.299 0.433 0.866) 1.013 24.803 ( 1.651 0.703 0.885) 2.001 24.964 ( 0.022 -0.264 -1.658) 1.679 25.087 ( -4.199 4.484 0.250) 6.148 25.324 ( 2.412 4.433 6.745) 8.424 25.533 ( -7.199 0.945 -8.242) 10.983 26.121 ( 1.120 -2.967 4.020) 5.121 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 13.975 0.000) 13.975 0.972 ( 0.000 21.489 0.000) 21.489 1.453 ( 0.000 4.324 0.000) 4.324 1.689 ( 0.000 22.502 0.000) 22.502 1.930 ( 0.000 26.090 0.000) 26.090 1.977 ( 0.000 3.752 0.000) 3.752 2.098 ( 0.000 2.709 0.000) 2.709 2.505 ( 0.000 19.559 0.000) 19.559 2.619 ( 0.000 15.818 0.000) 15.818 2.704 ( 0.000 9.622 0.000) 9.622 2.932 ( 0.000 6.670 0.000) 6.670 3.056 ( -0.000 -6.734 -0.000) 6.734 3.470 ( -0.000 -1.345 -0.000) 1.345 3.713 ( -0.000 -13.417 -0.000) 13.417 3.862 ( -0.000 -17.833 -0.000) 17.833 4.051 ( -0.000 -1.036 -0.000) 1.036 4.064 ( -0.000 -1.104 -0.000) 1.104 4.661 ( 0.000 3.278 0.000) 3.278 4.681 ( -0.000 -7.810 -0.000) 7.810 4.738 ( 0.000 2.218 0.000) 2.218 4.789 ( -0.000 -14.807 -0.000) 14.807 4.885 ( -0.000 -10.191 -0.000) 10.191 5.035 ( -0.000 -10.310 -0.000) 10.310 5.191 ( -0.000 -0.534 -0.000) 0.534 5.258 ( -0.000 -6.189 -0.000) 6.189 5.418 ( -0.000 -5.402 -0.000) 5.402 5.518 ( 0.000 0.344 0.000) 0.344 5.684 ( 0.000 1.383 0.000) 1.383 5.703 ( 0.000 2.998 0.000) 2.998 5.805 ( -0.000 -5.036 -0.000) 5.036 5.952 ( -0.000 -5.112 -0.000) 5.112 5.968 ( -0.000 -10.491 -0.000) 10.491 6.130 ( -0.000 -4.979 -0.000) 4.979 6.244 ( 0.000 1.914 0.000) 1.914 6.428 ( -0.000 -0.874 -0.000) 0.874 6.429 ( 0.000 1.137 0.000) 1.137 6.648 ( 0.000 8.518 0.000) 8.518 6.836 ( 0.000 8.140 0.000) 8.140 6.855 ( 0.000 6.528 0.000) 6.528 7.174 ( 0.000 1.539 0.000) 1.539 7.189 ( 0.000 8.149 0.000) 8.149 7.282 ( -0.000 -3.172 -0.000) 3.172 7.663 ( 0.000 3.973 0.000) 3.973 7.957 ( -0.000 -2.771 -0.000) 2.771 8.097 ( -0.000 -4.241 -0.000) 4.241 8.161 ( -0.000 -3.439 -0.000) 3.439 8.388 ( -0.000 -1.973 -0.000) 1.973 8.468 ( 0.000 3.536 0.000) 3.536 9.528 ( 0.000 2.816 0.000) 2.816 9.777 ( 0.000 1.708 0.000) 1.708 9.894 ( -0.000 -0.110 -0.000) 0.110 10.522 ( -0.000 -0.910 -0.000) 0.910 10.826 ( -0.000 -2.128 -0.000) 2.128 10.977 ( 0.000 2.746 0.000) 2.746 11.218 ( 0.000 7.175 0.000) 7.175 11.236 ( 0.000 2.698 0.000) 2.698 11.331 ( 0.000 3.530 0.000) 3.530 11.501 ( 0.000 1.414 0.000) 1.414 11.672 ( 0.000 1.606 0.000) 1.606 12.191 ( -0.000 -6.518 -0.000) 6.518 12.383 ( -0.000 -8.112 -0.000) 8.112 12.499 ( -0.000 -4.540 -0.000) 4.540 15.660 ( 0.000 2.582 0.000) 2.582 16.044 ( -0.000 -0.880 -0.000) 0.880 19.870 ( 0.000 1.618 0.000) 1.618 20.803 ( -0.000 -16.489 -0.000) 16.489 23.969 ( 0.000 0.103 0.000) 0.103 24.002 ( 0.000 0.450 0.000) 0.450 24.326 ( 0.000 3.179 0.000) 3.179 24.442 ( 0.000 2.099 0.000) 2.099 24.706 ( 0.000 1.272 0.000) 1.272 24.744 ( -0.000 -0.565 -0.000) 0.565 24.849 ( -0.000 -1.236 -0.000) 1.236 24.982 ( -0.000 -1.200 -0.000) 1.200 24.994 ( 0.000 4.493 0.000) 4.493 25.335 ( 0.000 6.077 0.000) 6.077 25.397 ( 0.000 1.930 0.000) 1.930 26.164 ( -0.000 -2.587 -0.000) 2.587 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -2.917 0.000 -7.779) 8.308 1.729 ( -5.152 0.000 -4.032) 6.542 1.955 ( 4.248 -0.000 0.706) 4.307 2.087 ( -1.052 0.000 0.327) 1.101 2.324 ( -13.084 0.000 5.685) 14.266 2.444 ( -0.553 0.000 -6.125) 6.150 2.571 ( -0.603 0.000 7.829) 7.852 2.600 ( 3.395 -0.000 0.745) 3.476 2.791 ( -6.005 0.000 -4.807) 7.692 2.793 ( 3.162 -0.000 2.264) 3.889 3.083 ( -5.033 0.000 5.173) 7.217 3.194 ( 10.613 -0.000 -3.557) 11.193 3.280 ( 5.465 -0.000 -2.558) 6.035 3.487 ( -10.796 0.000 2.523) 11.087 3.666 ( -7.231 0.000 -0.753) 7.270 3.791 ( -10.516 0.000 -4.670) 11.507 4.127 ( -6.881 0.000 0.685) 6.915 4.278 ( 3.375 -0.000 5.423) 6.388 4.453 ( -3.666 0.000 -4.965) 6.172 4.572 ( 2.171 -0.000 7.726) 8.025 4.834 ( -1.597 0.000 -2.851) 3.268 4.846 ( -1.150 0.000 -10.387) 10.451 5.007 ( 5.326 -0.000 15.993) 16.856 5.082 ( 0.610 -0.000 3.335) 3.390 5.180 ( 7.472 -0.000 -3.138) 8.104 5.371 ( -0.307 0.000 -0.483) 0.572 5.441 ( 3.091 -0.000 -4.618) 5.557 5.526 ( -1.033 0.000 0.887) 1.362 5.528 ( 4.533 -0.000 2.642) 5.247 5.598 ( 2.370 -0.000 -0.028) 2.370 5.723 ( -0.266 0.000 -7.223) 7.228 5.951 ( 2.481 -0.000 0.928) 2.649 6.312 ( 3.314 -0.000 -5.688) 6.583 6.446 ( -3.445 0.000 6.137) 7.038 6.559 ( -5.514 0.000 -1.498) 5.714 6.578 ( 8.206 -0.000 -4.429) 9.324 6.631 ( 10.943 -0.000 1.795) 11.089 6.733 ( 11.558 -0.000 0.543) 11.570 6.831 ( -7.648 0.000 6.379) 9.959 6.881 ( 2.140 -0.000 -2.971) 3.661 7.173 ( 0.151 -0.000 0.333) 0.366 7.220 ( -6.126 0.000 -0.239) 6.131 7.825 ( 0.532 -0.000 -0.485) 0.720 7.846 ( -7.702 0.000 -6.359) 9.988 8.041 ( -1.908 0.000 -0.684) 2.027 8.109 ( 0.721 -0.000 4.499) 4.556 8.189 ( 2.129 -0.000 8.060) 8.336 8.297 ( -0.483 0.000 -1.357) 1.441 9.672 ( -0.697 0.000 -5.219) 5.266 9.752 ( 6.895 -0.000 4.330) 8.142 10.174 ( -5.579 0.000 -9.677) 11.170 10.451 ( 7.839 -0.000 11.181) 13.656 10.577 ( -5.414 0.000 -11.634) 12.832 10.764 ( 0.067 -0.000 -6.467) 6.468 10.889 ( 1.162 -0.000 -0.665) 1.339 11.108 ( 6.094 -0.000 15.580) 16.729 11.537 ( 3.203 -0.000 -1.779) 3.664 11.559 ( -2.765 0.000 4.946) 5.667 12.241 ( -5.791 0.000 -2.417) 6.275 12.397 ( -5.753 0.000 1.188) 5.875 12.455 ( -2.338 0.000 -8.034) 8.367 12.508 ( -2.662 0.000 5.506) 6.115 15.675 ( 2.021 -0.000 -2.897) 3.532 15.787 ( 4.328 -0.000 3.075) 5.309 20.139 ( -0.611 0.000 2.059) 2.148 20.145 ( -4.328 0.000 -2.282) 4.893 24.044 ( -1.070 0.000 -1.097) 1.532 24.050 ( -1.151 0.000 0.964) 1.502 24.357 ( 3.195 -0.000 0.277) 3.207 24.370 ( 2.896 -0.000 -0.346) 2.917 24.570 ( 3.185 -0.000 -4.657) 5.642 24.573 ( -2.435 0.000 5.207) 5.748 24.893 ( -1.036 0.000 -1.153) 1.550 24.984 ( 4.155 -0.000 1.393) 4.382 25.281 ( -2.099 0.000 3.262) 3.879 25.452 ( 7.448 -0.000 -5.211) 9.090 25.824 ( -3.829 0.000 2.696) 4.683 25.908 ( -5.050 0.000 -1.308) 5.216 ======================= Grid point 35 (24/117) ======================= q-point: (-0.60 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.352 4.656 -4.681) 6.612 1.601 ( -10.458 -0.957 3.630) 11.112 1.808 ( -20.350 -8.642 8.619) 23.730 2.107 ( 4.917 -0.206 -8.417) 9.750 2.263 ( 4.071 0.880 -0.229) 4.172 2.392 ( -6.166 3.432 -2.472) 7.477 2.532 ( -6.518 0.551 -5.929) 8.828 2.581 ( -3.773 -7.088 7.107) 10.723 2.770 ( 4.096 3.210 -3.566) 6.308 2.871 ( -0.756 -1.181 2.618) 2.970 3.133 ( 13.200 -0.212 1.170) 13.253 3.283 ( -8.223 1.302 4.591) 9.508 3.366 ( 7.897 -1.747 -3.755) 8.917 3.436 ( 4.017 -3.860 -3.275) 6.462 3.551 ( -3.207 1.708 -2.343) 4.323 3.662 ( -5.189 -3.723 -0.886) 6.448 4.009 ( -6.413 0.570 -0.239) 6.443 4.334 ( 1.923 0.987 7.464) 7.771 4.449 ( 3.950 -0.876 -3.731) 5.504 4.623 ( 2.018 -1.406 6.707) 7.144 4.772 ( -0.021 4.491 -4.137) 6.106 4.855 ( 0.186 -2.507 -3.092) 3.985 5.021 ( -2.812 5.871 11.270) 13.015 5.086 ( 0.874 0.369 5.278) 5.362 5.228 ( 7.293 7.355 -1.826) 10.518 5.379 ( -3.973 3.375 -1.816) 5.520 5.450 ( -6.274 -0.678 -0.388) 6.323 5.480 ( 0.953 -8.748 -2.540) 9.159 5.538 ( 6.919 10.894 -3.496) 13.371 5.744 ( 4.405 0.083 -2.933) 5.293 5.796 ( 4.844 -12.210 0.547) 13.147 5.981 ( -0.032 1.353 -0.491) 1.440 6.266 ( -8.190 3.564 -0.747) 8.963 6.335 ( -7.460 -3.892 -5.212) 9.897 6.448 ( -6.217 -1.865 1.458) 6.652 6.638 ( -3.736 4.748 2.533) 6.551 6.732 ( 0.235 -1.126 0.888) 1.453 6.770 ( 6.036 4.411 0.430) 7.489 6.897 ( 5.696 -1.282 -0.120) 5.840 6.993 ( 6.376 -5.426 -1.841) 8.572 7.151 ( 1.187 0.895 1.614) 2.195 7.251 ( 6.763 -1.134 1.157) 6.954 7.727 ( -2.594 2.529 -3.912) 5.331 7.856 ( -0.221 -3.839 -0.388) 3.865 8.008 ( -2.105 -0.311 -0.128) 2.132 8.104 ( -1.263 -0.252 4.450) 4.632 8.274 ( 5.577 1.299 3.235) 6.577 8.302 ( 2.116 -0.906 0.267) 2.318 9.660 ( 0.019 0.535 -4.520) 4.551 9.859 ( 5.051 0.506 4.315) 6.662 10.058 ( -6.678 -0.224 -12.650) 14.306 10.509 ( -1.972 -0.388 -6.582) 6.882 10.614 ( 9.970 0.042 12.125) 15.698 10.761 ( 0.431 0.087 -8.028) 8.040 10.938 ( 5.438 0.517 -1.049) 5.562 11.217 ( 5.579 0.341 14.377) 15.426 11.508 ( -3.125 0.810 4.349) 5.416 11.573 ( 1.095 0.142 -1.357) 1.750 12.129 ( -7.823 -0.808 -3.126) 8.463 12.286 ( -7.253 0.138 -0.354) 7.263 12.395 ( -4.615 -0.998 -7.301) 8.695 12.465 ( -3.308 -0.362 5.718) 6.616 15.704 ( 1.723 0.352 -2.540) 3.090 15.862 ( 4.335 0.091 2.712) 5.114 20.077 ( -2.183 2.407 -1.091) 3.428 20.154 ( -0.354 -4.309 0.655) 4.373 24.018 ( -1.070 0.886 -0.188) 1.402 24.038 ( -1.184 -0.854 0.097) 1.463 24.405 ( 2.275 0.673 0.520) 2.428 24.413 ( 2.520 -0.012 -0.255) 2.533 24.560 ( 0.794 0.022 3.313) 3.407 24.635 ( 4.582 -0.378 -4.535) 6.458 24.867 ( -1.120 0.932 -0.881) 1.703 25.032 ( 0.434 -0.043 0.852) 0.957 25.248 ( -0.827 0.883 6.339) 6.453 25.532 ( 0.137 -1.208 -7.420) 7.519 25.693 ( -2.153 9.125 0.147) 9.376 25.912 ( -1.807 -7.869 2.159) 8.358 ======================= Grid point 36 (25/117) ======================= q-point: (-0.50 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -5.645 6.707 0.711) 8.795 1.462 ( -7.931 -4.967 3.768) 10.088 1.647 ( -7.981 -5.954 6.283) 11.774 2.104 ( -8.121 7.854 -3.740) 11.901 2.260 ( 0.984 1.664 -2.506) 3.165 2.343 ( -5.218 -6.011 -1.890) 8.181 2.429 ( -0.534 -2.362 -3.145) 3.969 2.524 ( -6.085 -5.289 -2.618) 8.476 2.783 ( 2.116 3.931 -7.900) 9.074 2.971 ( 6.749 -1.726 4.916) 8.526 3.142 ( -3.938 2.539 6.566) 8.067 3.301 ( 4.208 3.093 -1.104) 5.338 3.378 ( -0.708 9.348 -0.142) 9.376 3.552 ( 4.401 -4.204 -0.998) 6.168 3.635 ( 10.063 -7.677 -4.714) 13.507 3.684 ( 1.686 -0.852 2.629) 3.237 3.942 ( -1.930 -5.102 -1.678) 5.707 4.339 ( 0.054 1.647 3.363) 3.745 4.534 ( 3.808 1.724 -0.637) 4.229 4.665 ( 3.018 2.352 2.447) 4.542 4.744 ( -0.801 3.207 2.845) 4.362 4.883 ( 1.611 1.119 1.608) 2.536 4.967 ( 3.496 -2.383 6.386) 7.660 5.093 ( 0.017 0.282 2.789) 2.803 5.249 ( -5.018 3.997 -2.302) 6.816 5.321 ( 3.416 -3.190 -0.222) 4.679 5.324 ( -5.902 2.255 0.936) 6.387 5.506 ( 4.135 7.491 -1.143) 8.633 5.556 ( -2.029 -1.755 -7.577) 8.038 5.827 ( 4.478 -0.208 -3.010) 5.399 5.903 ( -3.050 3.553 0.208) 4.687 5.950 ( 0.465 -6.273 -0.468) 6.308 6.101 ( -7.590 1.756 1.534) 7.940 6.251 ( -6.930 -7.540 -4.384) 11.140 6.393 ( -5.885 -7.425 -0.357) 9.481 6.527 ( -5.116 1.686 3.861) 6.627 6.717 ( 2.788 4.168 2.384) 5.552 6.844 ( 4.836 1.708 -2.275) 5.611 6.948 ( 2.085 1.981 -0.223) 2.885 7.121 ( 2.858 -2.770 -2.023) 4.464 7.196 ( 2.869 -0.642 1.431) 3.270 7.381 ( 5.771 -0.091 1.008) 5.859 7.709 ( 1.990 0.628 -1.548) 2.598 7.889 ( -0.748 -4.034 1.076) 4.241 7.980 ( -1.757 -1.086 -0.112) 2.068 8.094 ( -0.647 -0.403 2.987) 3.083 8.300 ( 1.301 0.076 -2.308) 2.650 8.414 ( 7.803 1.193 3.452) 8.616 9.649 ( 0.023 1.469 -3.118) 3.447 9.893 ( -1.898 -0.154 -0.331) 1.932 9.962 ( -2.295 0.705 -8.302) 8.642 10.493 ( -0.546 -0.865 -3.716) 3.854 10.743 ( 0.673 -1.392 -1.356) 2.057 10.822 ( 12.032 2.670 4.965) 13.287 11.063 ( 10.136 0.936 -0.970) 10.226 11.299 ( 2.194 -0.314 10.185) 10.424 11.457 ( -0.096 3.527 2.988) 4.624 11.576 ( 0.336 1.010 2.336) 2.567 11.990 ( -9.987 -1.608 -3.117) 10.585 12.155 ( -8.613 -1.035 -1.495) 8.803 12.311 ( -6.999 -2.947 -6.606) 10.065 12.423 ( -2.676 -1.092 4.450) 5.306 15.720 ( 1.158 0.943 -1.890) 2.408 15.932 ( 3.919 0.159 2.122) 4.460 20.016 ( -1.979 2.698 -2.222) 4.016 20.221 ( 1.002 -8.021 1.596) 8.240 23.994 ( -0.824 0.613 0.043) 1.027 24.027 ( -1.018 -0.526 -0.051) 1.147 24.418 ( 0.955 1.669 0.653) 2.031 24.454 ( 2.677 0.907 -0.308) 2.843 24.606 ( 4.032 -0.489 0.899) 4.160 24.712 ( 4.141 -0.160 -2.816) 5.010 24.837 ( -1.263 0.933 -0.087) 1.573 24.999 ( -3.192 0.390 -0.221) 3.223 25.247 ( 0.535 2.324 7.074) 7.465 25.444 ( -5.905 2.298 -1.777) 6.581 25.630 ( -0.709 2.616 -5.966) 6.553 25.980 ( 1.728 -4.989 2.817) 5.984 ======================= Grid point 37 (26/117) ======================= q-point: (-0.40 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -7.915 6.835 1.637) 10.585 1.443 ( -3.980 -3.043 2.961) 5.820 1.586 ( -2.199 3.408 0.014) 4.056 1.906 ( -0.411 7.279 -2.927) 7.856 2.176 ( -8.948 0.906 -1.745) 9.162 2.202 ( -8.336 2.796 3.865) 9.605 2.505 ( 2.137 -5.430 2.129) 6.212 2.603 ( 0.216 -11.608 -8.641) 14.473 2.777 ( 5.015 7.425 -10.758) 14.001 2.920 ( -5.222 10.187 9.152) 14.656 3.177 ( 5.594 7.048 4.536) 10.077 3.282 ( 0.026 3.107 1.498) 3.449 3.328 ( 4.632 1.692 -6.641) 8.272 3.582 ( -1.460 -1.563 1.189) 2.447 3.634 ( -3.718 7.093 2.824) 8.492 3.910 ( 8.570 -5.713 -1.033) 10.352 4.070 ( 4.930 -12.078 -0.725) 13.065 4.292 ( -2.111 3.183 -0.173) 3.823 4.526 ( -0.126 0.939 2.795) 2.951 4.665 ( -0.747 -0.755 2.838) 3.030 4.751 ( 5.547 4.437 0.976) 7.170 4.892 ( 0.291 1.820 -1.375) 2.299 5.023 ( -4.214 -1.612 4.569) 6.421 5.114 ( -6.089 -2.679 -0.193) 6.655 5.191 ( 1.546 -0.000 0.220) 1.562 5.257 ( 6.711 -2.257 2.594) 7.541 5.409 ( 0.453 -3.562 -3.205) 4.813 5.517 ( 0.590 -2.941 -2.871) 4.152 5.560 ( 9.105 2.904 -0.460) 9.567 5.837 ( -9.169 -2.616 -1.372) 9.633 5.853 ( -2.052 -0.189 1.589) 2.602 5.913 ( 1.794 2.789 -6.238) 7.064 6.044 ( -5.370 -5.752 2.121) 8.149 6.240 ( -2.863 -6.236 -0.478) 6.878 6.387 ( -2.986 -5.950 -4.156) 7.848 6.441 ( -5.156 -1.132 5.398) 7.550 6.765 ( 6.765 4.050 2.785) 8.362 6.902 ( 4.564 2.461 -2.767) 5.877 6.981 ( 5.854 2.041 1.821) 6.461 7.120 ( -4.026 0.058 -2.394) 4.685 7.245 ( 2.394 0.360 0.758) 2.537 7.409 ( -1.982 1.203 0.214) 2.329 7.745 ( 2.293 1.071 -0.313) 2.550 7.897 ( -1.988 -2.267 0.944) 3.160 7.983 ( -0.440 -3.087 -0.073) 3.119 8.094 ( -0.393 -0.956 1.394) 1.735 8.327 ( 1.348 -1.036 -1.078) 2.013 8.514 ( 5.572 2.580 1.755) 6.386 9.624 ( -0.324 2.610 -1.380) 2.970 9.834 ( -4.050 -1.328 -6.269) 7.581 9.933 ( 0.013 2.588 -0.279) 2.603 10.495 ( -0.121 -0.964 -1.782) 2.030 10.761 ( 0.981 -1.189 -4.715) 4.961 10.991 ( 7.871 2.151 7.371) 10.996 11.228 ( 10.224 2.395 -0.409) 10.509 11.325 ( 3.522 1.420 3.101) 4.903 11.430 ( 0.711 5.638 -1.131) 5.794 11.581 ( 0.873 1.966 7.808) 8.099 11.820 ( -11.241 -1.015 -1.023) 11.333 12.042 ( -6.512 -4.465 -2.068) 8.162 12.222 ( -6.970 -5.280 -5.074) 10.110 12.411 ( -1.111 -2.232 2.292) 3.387 15.720 ( 0.553 1.551 -1.002) 1.928 15.991 ( 2.803 -0.302 1.308) 3.108 19.955 ( -1.678 2.693 -2.537) 4.062 20.343 ( 1.406 -11.756 1.788) 11.974 23.979 ( -0.434 0.370 0.095) 0.578 24.016 ( -0.645 -0.129 -0.085) 0.663 24.411 ( 0.606 2.505 0.508) 2.627 24.482 ( 2.265 1.760 -0.674) 2.946 24.691 ( 4.430 -0.906 -0.754) 4.585 24.750 ( 0.516 0.757 0.250) 0.949 24.813 ( -0.600 0.324 1.034) 1.238 24.958 ( -0.757 -0.236 -1.877) 2.038 25.185 ( -3.458 5.102 1.529) 6.350 25.383 ( 0.504 1.006 6.176) 6.278 25.559 ( -4.390 1.943 -7.941) 9.279 26.058 ( 2.129 -3.186 2.074) 4.358 ======================= Grid point 38 (27/117) ======================= q-point: (-0.30 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 9.123 0.000) 9.123 1.321 ( 0.000 12.373 0.000) 12.373 1.543 ( 0.000 3.847 0.000) 3.847 1.934 ( 0.000 9.395 0.000) 9.395 1.998 ( -0.000 -2.307 -0.000) 2.307 2.114 ( 0.000 1.362 0.000) 1.362 2.501 ( 0.000 14.315 0.000) 14.315 2.685 ( 0.000 12.336 0.000) 12.336 2.724 ( -0.000 -11.413 -0.000) 11.413 2.823 ( 0.000 1.096 0.000) 1.096 3.081 ( 0.000 19.773 0.000) 19.773 3.241 ( 0.000 9.434 0.000) 9.434 3.444 ( -0.000 -8.333 -0.000) 8.333 3.506 ( 0.000 1.989 0.000) 1.989 3.584 ( -0.000 -4.811 -0.000) 4.811 4.012 ( -0.000 -3.282 -0.000) 3.282 4.125 ( 0.000 4.799 0.000) 4.799 4.383 ( -0.000 -16.708 -0.000) 16.708 4.555 ( -0.000 -6.654 -0.000) 6.654 4.695 ( -0.000 -4.229 -0.000) 4.229 4.773 ( 0.000 5.726 0.000) 5.726 4.848 ( 0.000 2.293 0.000) 2.293 4.964 ( 0.000 1.162 0.000) 1.162 5.130 ( -0.000 -7.154 -0.000) 7.154 5.159 ( -0.000 -1.132 -0.000) 1.132 5.364 ( 0.000 0.323 0.000) 0.323 5.476 ( -0.000 -6.238 -0.000) 6.238 5.618 ( -0.000 -4.916 -0.000) 4.916 5.684 ( -0.000 -4.518 -0.000) 4.518 5.756 ( -0.000 -0.428 -0.000) 0.428 5.812 ( -0.000 -4.743 -0.000) 4.743 5.900 ( 0.000 0.868 0.000) 0.868 6.039 ( -0.000 -4.448 -0.000) 4.448 6.254 ( -0.000 -1.681 -0.000) 1.681 6.398 ( -0.000 -2.353 -0.000) 2.353 6.411 ( -0.000 -2.559 -0.000) 2.559 6.796 ( 0.000 5.251 0.000) 5.251 6.954 ( 0.000 3.161 0.000) 3.161 6.976 ( 0.000 5.621 0.000) 5.621 7.119 ( -0.000 -5.001 -0.000) 5.001 7.263 ( 0.000 0.329 0.000) 0.329 7.323 ( 0.000 5.390 0.000) 5.390 7.740 ( 0.000 3.377 0.000) 3.377 7.901 ( -0.000 -2.670 -0.000) 2.670 8.014 ( -0.000 -3.896 -0.000) 3.896 8.104 ( -0.000 -1.956 -0.000) 1.956 8.353 ( -0.000 -1.582 -0.000) 1.582 8.536 ( 0.000 3.197 0.000) 3.197 9.590 ( 0.000 3.229 0.000) 3.229 9.797 ( 0.000 0.056 0.000) 0.056 9.909 ( 0.000 1.948 0.000) 1.948 10.503 ( -0.000 -0.992 -0.000) 0.992 10.787 ( -0.000 -1.803 -0.000) 1.803 11.027 ( 0.000 2.139 0.000) 2.139 11.303 ( 0.000 3.781 0.000) 3.781 11.357 ( 0.000 6.735 0.000) 6.735 11.399 ( 0.000 3.205 0.000) 3.205 11.533 ( 0.000 1.698 0.000) 1.698 11.702 ( 0.000 1.262 0.000) 1.262 12.051 ( -0.000 -7.232 -0.000) 7.232 12.216 ( -0.000 -7.638 -0.000) 7.638 12.430 ( -0.000 -2.960 -0.000) 2.960 15.707 ( 0.000 2.035 0.000) 2.035 16.025 ( -0.000 -0.930 -0.000) 0.930 19.911 ( 0.000 2.576 0.000) 2.576 20.490 ( -0.000 -14.557 -0.000) 14.557 23.972 ( 0.000 0.236 0.000) 0.236 24.009 ( 0.000 0.176 0.000) 0.176 24.389 ( 0.000 3.030 0.000) 3.030 24.485 ( 0.000 2.082 0.000) 2.082 24.732 ( 0.000 0.759 0.000) 0.759 24.738 ( 0.000 0.318 0.000) 0.318 24.822 ( -0.000 -1.336 -0.000) 1.336 24.963 ( -0.000 -0.738 -0.000) 0.738 25.093 ( 0.000 5.390 0.000) 5.390 25.414 ( -0.000 -0.374 -0.000) 0.374 25.452 ( 0.000 5.508 0.000) 5.508 26.108 ( -0.000 -2.902 -0.000) 2.902 ======================= Grid point 45 (28/117) ======================= q-point: ( 0.40 -0.60 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -11.367 0.000 2.350) 11.607 1.406 ( -11.703 0.000 10.460) 15.696 1.539 ( 1.185 -0.000 1.663) 2.042 2.207 ( 5.501 -0.000 -9.771) 11.213 2.219 ( -5.936 0.000 -1.878) 6.226 2.364 ( -6.458 0.000 -6.210) 8.960 2.404 ( -9.148 0.000 4.803) 10.332 2.434 ( -1.775 0.000 -4.358) 4.705 2.817 ( 1.531 -0.000 -11.709) 11.809 2.933 ( 6.667 -0.000 8.620) 10.898 3.153 ( -7.485 0.000 9.741) 12.285 3.386 ( 12.019 -0.000 1.549) 12.118 3.484 ( 6.214 -0.000 -3.273) 7.024 3.541 ( 10.005 -0.000 -5.389) 11.364 3.551 ( 1.806 -0.000 0.194) 1.817 3.601 ( 3.017 -0.000 0.995) 3.177 3.906 ( -5.468 0.000 -2.610) 6.059 4.365 ( 0.458 -0.000 2.340) 2.384 4.568 ( 9.341 -0.000 -0.064) 9.341 4.642 ( 0.549 -0.000 3.879) 3.918 4.829 ( 2.345 -0.000 1.424) 2.743 4.837 ( 1.431 -0.000 -3.232) 3.535 5.001 ( -4.645 0.000 15.821) 16.489 5.081 ( -0.382 0.000 3.457) 3.478 5.260 ( -8.011 0.000 -1.499) 8.150 5.294 ( -6.945 0.000 0.341) 6.954 5.419 ( 0.466 -0.000 -8.280) 8.294 5.425 ( 3.159 -0.000 -1.552) 3.520 5.760 ( 4.271 -0.000 -0.903) 4.365 5.763 ( 5.132 -0.000 -4.943) 7.125 5.831 ( 5.448 -0.000 0.804) 5.507 5.980 ( -4.400 0.000 -1.608) 4.685 6.110 ( -9.304 0.000 -1.078) 9.367 6.216 ( -3.413 0.000 -3.125) 4.628 6.245 ( -13.732 0.000 1.357) 13.799 6.543 ( -7.937 0.000 3.092) 8.518 6.767 ( 2.281 -0.000 1.342) 2.646 6.863 ( 3.317 -0.000 0.102) 3.319 6.966 ( 3.315 -0.000 -0.276) 3.327 7.078 ( 5.334 -0.000 -3.713) 6.499 7.189 ( 3.529 -0.000 1.941) 4.027 7.381 ( 6.495 -0.000 1.393) 6.643 7.726 ( 1.388 -0.000 -1.855) 2.317 7.836 ( 0.135 -0.000 -0.053) 0.145 7.971 ( -1.964 0.000 0.770) 2.109 8.090 ( -0.596 0.000 3.177) 3.232 8.302 ( 0.599 -0.000 -2.580) 2.648 8.427 ( 8.601 -0.000 3.525) 9.295 9.664 ( 0.305 -0.000 -3.269) 3.284 9.889 ( -3.649 0.000 -2.836) 4.622 9.974 ( -0.201 0.000 -5.285) 5.289 10.484 ( -0.455 0.000 -3.197) 3.229 10.727 ( 1.281 -0.000 1.104) 1.691 10.850 ( 11.187 -0.000 3.283) 11.658 11.074 ( 10.499 -0.000 -1.661) 10.630 11.294 ( 2.049 -0.000 10.578) 10.775 11.500 ( 1.756 -0.000 7.226) 7.437 11.579 ( -0.184 0.000 -2.142) 2.150 11.973 ( -9.939 0.000 -3.454) 10.522 12.147 ( -9.294 0.000 -0.002) 9.294 12.280 ( -7.423 0.000 -8.324) 11.153 12.412 ( -3.049 0.000 4.648) 5.559 15.729 ( 1.263 -0.000 -2.022) 2.384 15.933 ( 3.697 -0.000 2.103) 4.253 20.083 ( -0.163 0.000 0.893) 0.907 20.101 ( -1.509 0.000 -1.304) 1.994 24.004 ( -1.081 0.000 -0.469) 1.178 24.018 ( -0.720 0.000 0.493) 0.872 24.436 ( 1.135 -0.000 0.021) 1.135 24.461 ( 2.998 -0.000 0.278) 3.011 24.602 ( 3.789 -0.000 1.182) 3.969 24.710 ( 4.554 -0.000 -3.192) 5.561 24.847 ( -1.638 0.000 -0.052) 1.639 25.003 ( -3.394 0.000 -0.035) 3.395 25.271 ( 1.823 -0.000 9.236) 9.414 25.460 ( -6.415 0.000 -6.239) 8.949 25.676 ( -4.405 0.000 -3.874) 5.866 25.916 ( 5.244 -0.000 2.828) 5.958 ======================= Grid point 47 (29/117) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -8.814 2.163 4.106) 9.961 1.289 ( -5.010 -7.247 5.654) 10.468 1.626 ( 4.420 1.424 0.752) 4.704 2.065 ( -4.319 7.340 -2.870) 8.987 2.194 ( -6.192 -3.719 -0.397) 7.234 2.240 ( -7.126 3.613 1.000) 8.052 2.382 ( 1.236 -5.876 -8.159) 10.130 2.439 ( 0.744 -2.841 -1.733) 3.410 2.844 ( 4.136 1.303 -12.200) 12.948 3.011 ( -1.945 1.907 5.746) 6.359 3.088 ( -0.854 -6.175 10.382) 12.109 3.480 ( 7.528 6.870 -1.668) 10.327 3.518 ( 2.898 13.325 -0.064) 13.636 3.570 ( 1.975 -1.006 0.076) 2.218 3.682 ( 1.557 -1.861 3.210) 4.024 3.784 ( 6.058 -8.219 0.590) 10.227 3.888 ( 5.950 -2.877 -6.776) 9.465 4.365 ( 0.946 2.652 -0.050) 2.816 4.617 ( 0.602 4.142 1.001) 4.303 4.661 ( -2.995 0.387 3.123) 4.344 4.818 ( -0.083 2.105 -0.158) 2.113 4.897 ( 1.365 -0.575 -1.593) 2.175 4.976 ( 2.009 -2.313 10.812) 11.237 5.107 ( -2.970 1.202 2.382) 3.993 5.126 ( 0.002 -1.144 1.936) 2.249 5.231 ( -2.895 -5.613 2.138) 6.668 5.400 ( 3.283 4.625 -6.553) 8.666 5.488 ( 0.950 -1.926 -6.221) 6.582 5.708 ( 2.246 9.895 -3.612) 10.771 5.815 ( -8.365 0.288 -1.635) 8.528 5.840 ( -4.254 -0.835 0.616) 4.379 5.939 ( 2.119 -2.407 -0.794) 3.304 5.956 ( -9.476 -3.420 3.946) 10.819 6.112 ( 0.044 -2.824 -0.775) 2.928 6.256 ( 0.864 -6.210 -3.264) 7.068 6.417 ( -7.266 -0.871 2.287) 7.667 6.811 ( 3.523 0.859 2.998) 4.705 6.921 ( 3.789 0.055 -0.231) 3.797 7.006 ( 2.204 0.824 0.184) 2.360 7.105 ( -1.914 -0.941 -3.031) 3.707 7.258 ( 3.701 0.621 0.131) 3.755 7.432 ( 0.109 0.768 1.102) 1.348 7.765 ( 3.330 0.933 -1.240) 3.674 7.850 ( -0.271 -1.961 0.529) 2.049 7.947 ( -1.176 -0.676 0.978) 1.672 8.088 ( -0.118 0.009 1.548) 1.553 8.311 ( 0.600 -0.453 -1.779) 1.931 8.550 ( 5.803 0.975 1.548) 6.085 9.661 ( 0.119 1.001 -1.643) 1.928 9.813 ( -3.665 -0.607 -4.757) 6.036 9.977 ( 0.449 1.415 -0.238) 1.504 10.482 ( -0.010 -0.357 -1.321) 1.369 10.740 ( 0.495 -0.716 -2.417) 2.569 11.019 ( 6.734 0.704 6.234) 9.204 11.264 ( 11.777 1.043 -1.287) 11.893 11.344 ( 5.582 0.504 3.717) 6.725 11.531 ( 1.229 4.380 1.625) 4.831 11.591 ( 1.566 -1.294 6.367) 6.683 11.797 ( -10.689 -0.972 -3.293) 11.227 11.988 ( -9.220 -1.076 -0.191) 9.284 12.151 ( -7.498 -1.883 -7.218) 10.577 12.379 ( -1.603 -0.864 2.507) 3.099 15.741 ( 0.630 0.529 -1.105) 1.377 15.985 ( 2.230 -0.201 1.163) 2.523 20.028 ( -0.884 4.743 -0.814) 4.893 20.150 ( 0.084 -7.807 0.509) 7.824 23.987 ( -0.572 0.348 -0.126) 0.682 24.011 ( -0.430 -0.265 0.172) 0.534 24.447 ( 0.756 1.017 0.108) 1.272 24.505 ( 2.363 0.575 -0.191) 2.440 24.678 ( 4.648 -0.331 -0.366) 4.674 24.761 ( 1.295 0.278 -0.351) 1.371 24.817 ( -1.816 0.103 0.925) 2.041 24.955 ( -1.412 -0.074 -1.537) 2.088 25.280 ( -1.411 4.220 4.192) 6.113 25.364 ( -3.052 -2.457 1.139) 4.081 25.600 ( -2.976 1.514 -5.196) 6.176 26.007 ( 3.529 -1.570 1.374) 4.099 ======================= Grid point 48 (30/117) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 4.667 0.000) 4.667 1.354 ( -0.000 -9.743 -0.000) 9.743 1.612 ( 0.000 5.533 0.000) 5.533 1.999 ( 0.000 4.145 0.000) 4.145 2.098 ( 0.000 6.675 0.000) 6.675 2.153 ( 0.000 0.530 0.000) 0.530 2.451 ( -0.000 -7.775 -0.000) 7.775 2.503 ( -0.000 -7.747 -0.000) 7.747 2.876 ( 0.000 2.895 0.000) 2.895 2.943 ( 0.000 3.740 0.000) 3.740 3.173 ( -0.000 -8.701 -0.000) 8.701 3.377 ( 0.000 15.932 0.000) 15.932 3.521 ( 0.000 8.760 0.000) 8.760 3.566 ( 0.000 1.906 0.000) 1.906 3.644 ( 0.000 4.566 0.000) 4.566 3.911 ( -0.000 -8.497 -0.000) 8.497 4.033 ( -0.000 -7.912 -0.000) 7.912 4.323 ( 0.000 6.503 0.000) 6.503 4.555 ( 0.000 4.751 0.000) 4.751 4.640 ( -0.000 -1.332 -0.000) 1.332 4.808 ( -0.000 -1.713 -0.000) 1.713 4.895 ( 0.000 1.981 0.000) 1.981 5.010 ( 0.000 2.938 0.000) 2.938 5.018 ( -0.000 -1.959 -0.000) 1.959 5.210 ( 0.000 2.082 0.000) 2.082 5.293 ( -0.000 -10.070 -0.000) 10.070 5.385 ( 0.000 2.932 0.000) 2.932 5.541 ( -0.000 -2.233 -0.000) 2.233 5.661 ( 0.000 0.303 0.000) 0.303 5.741 ( 0.000 0.607 0.000) 0.607 5.749 ( -0.000 -1.662 -0.000) 1.662 5.923 ( -0.000 -0.580 -0.000) 0.580 5.973 ( -0.000 -1.734 -0.000) 1.734 6.171 ( -0.000 -5.717 -0.000) 5.717 6.334 ( -0.000 -4.784 -0.000) 4.784 6.348 ( -0.000 -2.311 -0.000) 2.311 6.848 ( 0.000 0.545 0.000) 0.545 6.973 ( -0.000 -0.994 -0.000) 0.994 7.041 ( -0.000 -1.997 -0.000) 1.997 7.054 ( 0.000 2.355 0.000) 2.355 7.281 ( 0.000 1.256 0.000) 1.256 7.403 ( 0.000 2.769 0.000) 2.769 7.788 ( 0.000 1.536 0.000) 1.536 7.858 ( -0.000 -1.595 -0.000) 1.595 7.953 ( -0.000 -2.136 -0.000) 2.136 8.087 ( -0.000 -0.074 -0.000) 0.074 8.325 ( -0.000 -1.179 -0.000) 1.179 8.588 ( 0.000 1.897 0.000) 1.897 9.645 ( 0.000 2.112 0.000) 2.112 9.786 ( -0.000 -0.813 -0.000) 0.813 9.959 ( 0.000 2.525 0.000) 2.525 10.486 ( -0.000 -0.637 -0.000) 0.637 10.755 ( -0.000 -1.364 -0.000) 1.364 11.059 ( 0.000 1.066 0.000) 1.066 11.371 ( 0.000 2.751 0.000) 2.751 11.450 ( 0.000 1.855 0.000) 1.855 11.479 ( 0.000 5.367 0.000) 5.367 11.563 ( 0.000 1.160 0.000) 1.160 11.710 ( -0.000 -0.817 -0.000) 0.817 11.928 ( -0.000 -4.574 -0.000) 4.574 12.100 ( -0.000 -3.925 -0.000) 3.925 12.381 ( -0.000 -1.846 -0.000) 1.846 15.738 ( 0.000 1.081 0.000) 1.081 16.010 ( -0.000 -0.592 -0.000) 0.592 19.975 ( 0.000 4.016 0.000) 4.016 20.243 ( -0.000 -10.322 -0.000) 10.322 23.979 ( 0.000 0.371 0.000) 0.371 24.009 ( -0.000 -0.173 -0.000) 0.173 24.439 ( 0.000 1.923 0.000) 1.923 24.519 ( 0.000 1.219 0.000) 1.219 24.731 ( -0.000 -0.137 -0.000) 0.137 24.758 ( 0.000 0.889 0.000) 0.889 24.800 ( -0.000 -0.834 -0.000) 0.834 24.952 ( -0.000 -0.449 -0.000) 0.449 25.202 ( 0.000 5.435 0.000) 5.435 25.382 ( -0.000 -2.772 -0.000) 2.772 25.543 ( 0.000 3.495 0.000) 3.495 26.056 ( -0.000 -2.130 -0.000) 2.130 ======================= Grid point 58 (31/117) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 0.000 0.000) 0.000 1.197 ( -0.000 -0.000 -0.000) 0.000 1.692 ( -0.000 -0.000 -0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.099 ( -0.000 -0.000 -0.000) 0.000 2.170 ( -0.000 -0.000 -0.000) 0.000 2.356 ( -0.000 -0.000 -0.000) 0.000 2.440 ( -0.000 -0.000 -0.000) 0.000 2.921 ( -0.000 -0.000 -0.000) 0.000 2.958 ( -0.000 -0.000 -0.000) 0.000 3.058 ( -0.000 -0.000 -0.000) 0.000 3.584 ( -0.000 -0.000 -0.000) 0.000 3.595 ( -0.000 -0.000 -0.000) 0.000 3.659 ( -0.000 -0.000 -0.000) 0.000 3.683 ( -0.000 -0.000 -0.000) 0.000 3.713 ( -0.000 -0.000 -0.000) 0.000 3.978 ( -0.000 -0.000 -0.000) 0.000 4.407 ( -0.000 -0.000 -0.000) 0.000 4.616 ( -0.000 -0.000 -0.000) 0.000 4.628 ( -0.000 -0.000 -0.000) 0.000 4.778 ( -0.000 -0.000 -0.000) 0.000 4.913 ( -0.000 -0.000 -0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.071 ( -0.000 -0.000 -0.000) 0.000 5.143 ( -0.000 -0.000 -0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.486 ( -0.000 -0.000 -0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.660 ( -0.000 -0.000 -0.000) 0.000 5.741 ( -0.000 -0.000 -0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.839 ( -0.000 -0.000 -0.000) 0.000 5.964 ( -0.000 -0.000 -0.000) 0.000 6.107 ( -0.000 -0.000 -0.000) 0.000 6.271 ( -0.000 -0.000 -0.000) 0.000 6.322 ( -0.000 -0.000 -0.000) 0.000 6.848 ( -0.000 -0.000 -0.000) 0.000 6.955 ( -0.000 -0.000 -0.000) 0.000 7.027 ( -0.000 -0.000 -0.000) 0.000 7.076 ( -0.000 -0.000 -0.000) 0.000 7.296 ( -0.000 -0.000 -0.000) 0.000 7.431 ( -0.000 -0.000 -0.000) 0.000 7.803 ( -0.000 -0.000 -0.000) 0.000 7.841 ( -0.000 -0.000 -0.000) 0.000 7.932 ( -0.000 -0.000 -0.000) 0.000 8.088 ( -0.000 -0.000 -0.000) 0.000 8.313 ( -0.000 -0.000 -0.000) 0.000 8.607 ( -0.000 -0.000 -0.000) 0.000 9.667 ( -0.000 -0.000 -0.000) 0.000 9.776 ( -0.000 -0.000 -0.000) 0.000 9.988 ( -0.000 -0.000 -0.000) 0.000 10.480 ( -0.000 -0.000 -0.000) 0.000 10.740 ( -0.000 -0.000 -0.000) 0.000 11.069 ( -0.000 -0.000 -0.000) 0.000 11.400 ( -0.000 -0.000 -0.000) 0.000 11.469 ( -0.000 -0.000 -0.000) 0.000 11.546 ( -0.000 -0.000 -0.000) 0.000 11.573 ( -0.000 -0.000 -0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 11.884 ( -0.000 -0.000 -0.000) 0.000 12.062 ( -0.000 -0.000 -0.000) 0.000 12.362 ( -0.000 -0.000 -0.000) 0.000 15.749 ( -0.000 -0.000 -0.000) 0.000 16.004 ( -0.000 -0.000 -0.000) 0.000 20.067 ( -0.000 -0.000 -0.000) 0.000 20.088 ( 0.000 0.000 0.000) 0.000 23.983 ( -0.000 -0.000 -0.000) 0.000 24.006 ( -0.000 -0.000 -0.000) 0.000 24.459 ( -0.000 -0.000 -0.000) 0.000 24.531 ( -0.000 -0.000 -0.000) 0.000 24.729 ( -0.000 -0.000 -0.000) 0.000 24.767 ( -0.000 -0.000 -0.000) 0.000 24.791 ( -0.000 -0.000 -0.000) 0.000 24.947 ( -0.000 -0.000 -0.000) 0.000 25.288 ( 0.000 0.000 0.000) 0.000 25.322 ( -0.000 -0.000 -0.000) 0.000 25.580 ( -0.000 -0.000 -0.000) 0.000 26.033 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -6.924 0.000 20.243) 21.395 0.570 ( -0.637 0.000 26.907) 26.915 0.978 ( 8.468 -0.000 44.632) 45.428 1.205 ( 7.112 -0.000 -15.585) 17.131 1.479 ( 11.206 -0.000 -14.941) 18.677 1.785 ( -5.792 0.000 10.470) 11.965 1.935 ( -2.946 0.000 -0.496) 2.988 1.959 ( -15.991 0.000 6.388) 17.220 2.367 ( 8.022 -0.000 9.289) 12.274 2.536 ( 4.173 -0.000 -3.425) 5.399 2.875 ( -4.607 0.000 -8.095) 9.314 2.916 ( -2.617 0.000 -18.903) 19.083 3.620 ( -1.470 0.000 -4.399) 4.638 3.874 ( 7.716 -0.000 -9.023) 11.872 4.012 ( 3.651 -0.000 7.034) 7.925 4.194 ( -7.906 0.000 9.036) 12.006 4.392 ( -2.389 0.000 -5.115) 5.645 4.608 ( -1.134 0.000 5.963) 6.070 4.756 ( -4.294 0.000 2.173) 4.813 4.916 ( 9.179 -0.000 -7.778) 12.032 5.064 ( 1.734 -0.000 0.451) 1.792 5.167 ( 2.316 -0.000 3.180) 3.934 5.170 ( -6.427 0.000 2.205) 6.794 5.287 ( -1.580 0.000 -6.876) 7.056 5.409 ( -4.239 0.000 -8.499) 9.498 5.445 ( 7.184 -0.000 -5.612) 9.116 5.628 ( -3.545 0.000 0.712) 3.615 5.630 ( 6.253 -0.000 0.091) 6.254 5.773 ( 3.350 -0.000 1.829) 3.816 5.802 ( -3.892 0.000 1.089) 4.041 5.912 ( 6.320 -0.000 8.584) 10.660 5.978 ( -2.649 0.000 1.475) 3.032 6.080 ( -3.566 0.000 0.381) 3.586 6.252 ( 1.534 -0.000 -6.643) 6.818 6.364 ( 0.993 -0.000 6.570) 6.645 6.454 ( 8.213 -0.000 3.958) 9.117 6.533 ( -10.011 0.000 -1.366) 10.104 6.646 ( -1.996 0.000 1.800) 2.687 6.800 ( -19.853 0.000 0.749) 19.867 6.838 ( 3.901 -0.000 0.432) 3.925 6.850 ( 0.163 -0.000 -0.127) 0.207 6.859 ( 0.298 -0.000 -1.436) 1.467 7.639 ( -0.134 0.000 6.961) 6.962 8.044 ( 1.753 -0.000 2.529) 3.077 8.078 ( -0.197 0.000 -9.590) 9.592 8.224 ( -1.068 0.000 -3.999) 4.139 8.389 ( 1.681 -0.000 1.934) 2.562 8.443 ( -1.582 0.000 0.155) 1.590 9.531 ( 0.295 -0.000 5.456) 5.464 9.810 ( 1.119 -0.000 -5.579) 5.690 10.383 ( -3.603 0.000 0.950) 3.726 10.496 ( 7.728 -0.000 -3.496) 8.482 10.834 ( 5.854 -0.000 5.485) 8.022 10.994 ( 2.492 -0.000 -0.785) 2.613 11.185 ( -0.357 0.000 -0.865) 0.936 11.200 ( 0.026 -0.000 -1.354) 1.355 11.488 ( -8.204 0.000 1.395) 8.322 11.521 ( 31.067 -0.000 0.507) 31.071 12.338 ( 4.582 -0.000 0.655) 4.628 12.425 ( -8.856 0.000 -3.623) 9.568 12.583 ( 6.616 -0.000 3.539) 7.503 12.686 ( -2.976 0.000 -1.364) 3.274 15.545 ( 0.460 -0.000 0.738) 0.870 15.582 ( -0.459 0.000 -0.711) 0.846 21.227 ( -13.207 0.000 0.209) 13.209 21.238 ( 74.311 -0.000 -0.207) 74.311 23.974 ( -0.743 0.000 0.316) 0.807 23.992 ( 0.019 -0.000 -0.382) 0.382 24.234 ( 0.171 -0.000 0.291) 0.338 24.246 ( -0.165 0.000 -0.208) 0.265 24.768 ( -2.564 0.000 0.180) 2.570 24.781 ( 0.459 -0.000 -0.327) 0.564 24.878 ( 1.659 -0.000 0.277) 1.682 24.887 ( -1.875 0.000 -0.055) 1.876 25.170 ( 0.517 -0.000 0.521) 0.734 25.210 ( -2.297 0.000 -1.199) 2.591 25.339 ( 11.992 -0.000 1.379) 12.071 25.391 ( -51.581 0.000 -0.789) 51.587 ======================= Grid point 106 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 10.678 -23.008 9.939) 27.243 0.904 ( 22.675 -8.871 18.142) 30.364 1.365 ( 28.692 -3.443 30.774) 42.215 1.382 ( 13.307 -1.759 -15.508) 20.510 1.712 ( -0.401 0.193 4.411) 4.433 1.774 ( 6.921 -2.705 -11.265) 13.495 1.834 ( -0.221 -9.196 10.665) 14.083 1.986 ( 8.103 -11.940 0.292) 14.433 2.551 ( 3.383 0.839 -0.853) 3.588 2.607 ( 10.944 -3.994 5.860) 13.041 2.885 ( 4.491 0.185 -10.281) 11.220 2.934 ( 8.382 -4.998 -8.732) 13.095 3.543 ( -1.987 8.233 -6.076) 10.424 3.953 ( 4.643 3.489 -11.968) 13.302 4.015 ( -6.495 3.756 8.340) 11.218 4.116 ( 1.871 -1.886 5.273) 5.905 4.278 ( -6.469 3.720 -3.433) 8.214 4.552 ( -10.478 5.420 4.465) 12.613 4.608 ( -4.844 -1.763 3.137) 6.035 4.892 ( -10.979 6.766 4.506) 13.661 4.968 ( -5.125 0.702 -8.763) 10.176 5.127 ( -0.745 2.507 0.453) 2.654 5.185 ( -5.875 7.343 -3.423) 10.008 5.245 ( 0.133 12.340 -7.272) 14.324 5.333 ( 4.194 -6.307 0.448) 7.588 5.561 ( 2.446 -2.585 -1.778) 3.978 5.597 ( -1.113 1.990 5.514) 5.967 5.660 ( 1.915 3.325 0.549) 3.876 5.773 ( -3.210 -3.621 -4.737) 6.772 5.820 ( 1.828 0.205 -0.178) 1.848 5.966 ( -5.972 -6.325 3.449) 9.358 6.037 ( 3.830 -2.002 2.102) 4.805 6.047 ( -4.309 -7.737 -3.718) 9.605 6.102 ( -8.075 6.251 -4.671) 11.229 6.343 ( -15.400 4.766 3.249) 16.444 6.434 ( 2.104 -5.089 1.639) 5.745 6.473 ( -3.988 -10.230 1.366) 11.064 6.540 ( -6.409 -4.094 3.373) 8.320 6.750 ( 0.004 -3.717 -1.074) 3.869 6.851 ( 14.204 -6.399 1.145) 15.621 6.982 ( 13.851 10.947 -0.264) 17.657 7.187 ( 12.004 -8.851 -1.957) 15.042 7.642 ( 0.248 -0.560 6.375) 6.404 8.052 ( -1.974 0.012 -10.826) 11.004 8.078 ( 2.415 1.139 2.811) 3.877 8.188 ( -1.822 1.418 -3.752) 4.406 8.412 ( 0.766 1.365 2.288) 2.772 8.419 ( -0.569 0.677 0.035) 0.885 9.545 ( 0.475 -0.905 5.282) 5.380 9.799 ( -1.538 -0.064 -6.342) 6.526 10.317 ( -2.335 2.004 -0.424) 3.106 10.560 ( 0.560 -0.857 -0.509) 1.143 10.835 ( -2.920 -0.114 0.961) 3.076 11.027 ( -0.022 0.383 -1.533) 1.581 11.174 ( -4.093 -0.242 -0.375) 4.117 11.205 ( 0.212 -1.726 -0.641) 1.853 11.312 ( -10.662 -0.207 -5.253) 11.888 11.623 ( -7.966 2.357 14.571) 16.773 12.240 ( 3.415 17.359 -2.164) 17.823 12.404 ( 4.849 3.060 3.334) 6.633 12.560 ( 1.676 10.118 7.101) 12.474 12.630 ( -0.827 3.732 -3.476) 5.167 15.580 ( -0.803 -2.211 -1.001) 2.556 15.620 ( -0.925 -9.785 -1.752) 9.983 20.897 ( -18.615 7.454 -10.300) 22.542 21.230 ( -19.188 35.755 26.365) 48.391 23.981 ( 1.750 0.035 0.184) 1.760 23.999 ( 0.644 -0.231 -0.239) 0.725 24.247 ( -0.493 -1.276 -0.168) 1.378 24.284 ( -1.875 -7.075 -0.699) 7.353 24.669 ( 0.182 -0.350 -1.123) 1.190 24.770 ( -0.776 0.266 0.049) 0.822 24.815 ( -5.992 0.782 -0.086) 6.043 24.914 ( 1.761 -2.172 0.710) 2.885 25.071 ( 3.680 5.881 -2.387) 7.337 25.161 ( -0.524 0.355 1.693) 1.808 25.508 ( 9.822 -20.940 -15.660) 27.932 25.637 ( 17.554 -2.401 7.926) 19.410 ======================= Grid point 107 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 11.883 -17.351 5.875) 21.835 1.339 ( 16.000 -11.099 13.731) 23.827 1.592 ( 6.847 -0.522 -11.608) 13.487 1.685 ( 5.480 2.110 4.328) 7.294 1.762 ( 4.449 -5.532 0.349) 7.107 2.008 ( 6.278 -11.488 2.258) 13.285 2.118 ( 34.102 -8.301 9.110) 36.260 2.370 ( 15.921 -11.321 4.354) 20.015 2.559 ( 0.837 -2.278 -7.257) 7.652 2.918 ( 7.850 -0.447 -1.441) 7.994 2.978 ( 14.822 -4.507 -1.299) 15.547 3.205 ( 12.314 -7.212 0.261) 14.273 3.418 ( 1.441 10.327 -10.394) 14.722 3.768 ( -16.190 6.392 2.957) 17.656 3.974 ( 2.222 5.418 -8.289) 10.149 4.132 ( -2.610 5.012 1.539) 5.857 4.216 ( 5.250 0.373 1.366) 5.438 4.324 ( -5.920 6.170 1.292) 8.647 4.531 ( -8.560 -1.231 -1.532) 8.783 4.667 ( -8.511 5.487 5.306) 11.432 4.773 ( -11.892 1.246 -5.403) 13.121 4.966 ( -7.521 9.708 -1.564) 12.380 5.020 ( -4.724 6.885 -0.597) 8.371 5.189 ( -0.870 4.934 0.980) 5.106 5.373 ( 0.231 8.715 0.281) 8.723 5.514 ( -10.615 8.825 2.156) 13.972 5.563 ( -4.994 0.750 4.765) 6.943 5.615 ( -3.799 3.026 -3.307) 5.876 5.661 ( 0.648 -2.297 0.898) 2.550 5.851 ( -4.166 -5.319 -3.327) 7.531 5.868 ( -8.981 -3.179 -2.683) 9.898 5.956 ( 1.425 -3.997 2.067) 4.720 6.097 ( -6.463 -11.464 0.362) 13.166 6.122 ( 2.088 -1.460 2.597) 3.638 6.230 ( 4.682 0.701 -3.448) 5.857 6.403 ( -5.550 -7.300 3.552) 9.834 6.546 ( -1.268 -6.234 -0.198) 6.365 6.608 ( -0.369 -15.085 -0.756) 15.108 6.817 ( 4.901 1.049 -1.767) 5.314 7.062 ( 7.778 5.272 -1.135) 9.465 7.125 ( 10.221 0.894 4.510) 11.208 7.349 ( 0.967 -2.888 -1.244) 3.290 7.684 ( 3.056 -1.028 3.633) 4.857 7.999 ( -2.687 -0.115 -10.484) 10.823 8.095 ( 0.694 2.740 0.894) 2.964 8.145 ( -0.452 1.385 -2.150) 2.597 8.391 ( -1.246 1.584 -0.773) 2.159 8.401 ( -0.037 2.757 3.758) 4.661 9.579 ( 1.331 -2.194 4.946) 5.572 9.757 ( -2.908 -0.311 -6.576) 7.197 10.268 ( -1.598 1.366 -1.725) 2.719 10.530 ( -4.986 -0.310 0.627) 5.035 10.795 ( -2.536 -1.868 2.644) 4.113 10.965 ( -5.812 3.340 -3.829) 7.720 11.001 ( -10.093 0.097 -4.446) 11.029 11.141 ( -5.161 1.102 1.526) 5.493 11.316 ( 3.583 -4.750 2.694) 6.531 11.552 ( 2.929 4.751 16.436) 17.358 12.193 ( 4.343 7.727 -8.858) 12.531 12.444 ( 4.416 5.668 4.996) 8.751 12.517 ( 0.944 3.929 5.229) 6.608 12.584 ( 0.336 3.954 -4.205) 5.782 15.592 ( -0.844 -3.085 -1.134) 3.393 15.685 ( -0.761 -6.947 -0.150) 6.990 20.527 ( -13.029 8.767 -8.275) 17.751 20.719 ( -14.259 14.542 19.861) 28.447 24.003 ( 1.259 0.967 0.307) 1.617 24.024 ( 1.962 -0.432 -0.339) 2.038 24.255 ( -0.265 -1.913 -0.056) 1.932 24.309 ( -1.625 -4.971 0.623) 5.266 24.688 ( -6.444 1.296 0.908) 6.636 24.710 ( 3.009 -0.215 -3.028) 4.274 24.766 ( -0.129 -0.047 -0.319) 0.347 24.975 ( 2.022 -2.827 1.659) 3.851 25.088 ( 1.722 0.895 -3.693) 4.172 25.161 ( 1.137 0.286 2.135) 2.435 25.709 ( 4.292 -1.695 -8.421) 9.603 25.943 ( 11.535 -5.161 3.143) 13.022 ======================= Grid point 108 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.702 -11.398 1.981) 12.898 1.555 ( -3.011 -1.779 -10.257) 10.837 1.708 ( 12.118 -8.452 6.681) 16.215 1.842 ( 12.524 -0.696 6.991) 14.360 1.961 ( 10.772 -4.276 3.157) 12.012 2.226 ( 7.163 -9.747 -2.488) 12.349 2.566 ( 1.110 -1.236 0.329) 1.694 2.691 ( 10.107 -6.734 5.393) 13.288 2.775 ( 28.324 -3.616 -4.742) 28.945 2.914 ( -2.471 0.658 -0.826) 2.687 3.212 ( 2.940 1.441 1.649) 3.666 3.324 ( -3.842 8.872 -4.273) 10.570 3.451 ( -7.311 -4.692 6.495) 10.847 3.530 ( 15.762 -2.627 -8.437) 18.070 3.856 ( -5.645 11.016 -3.088) 12.758 4.113 ( 2.909 3.095 1.053) 4.376 4.220 ( -1.218 3.227 -5.547) 6.532 4.305 ( 4.216 4.368 2.402) 6.529 4.401 ( -6.167 3.554 0.609) 7.143 4.475 ( -6.712 -0.452 -4.206) 7.934 4.656 ( -4.165 -2.491 2.440) 5.432 4.727 ( -9.424 9.338 -3.313) 13.675 4.847 ( -6.453 4.338 -0.376) 7.784 5.073 ( -5.326 9.917 2.904) 11.625 5.209 ( -6.870 6.260 -2.932) 9.746 5.256 ( -5.582 3.092 3.196) 7.137 5.458 ( -7.279 2.099 9.583) 12.216 5.608 ( 0.649 -2.116 0.908) 2.392 5.683 ( 0.431 -0.673 -5.750) 5.805 5.787 ( -6.011 -7.059 1.101) 9.337 5.908 ( 6.331 -0.548 -2.856) 6.967 6.029 ( 1.876 -4.519 2.591) 5.537 6.104 ( -4.205 -8.746 1.665) 9.846 6.191 ( 2.587 -2.480 0.275) 3.594 6.327 ( 4.284 -4.438 3.509) 7.097 6.425 ( -0.231 -5.245 -1.481) 5.456 6.582 ( -2.629 -7.030 -1.078) 7.583 6.724 ( -0.843 -9.993 -1.330) 10.116 6.861 ( 2.109 2.002 -1.818) 3.430 7.114 ( 4.130 3.896 -0.869) 5.744 7.180 ( -0.703 4.589 4.019) 6.141 7.324 ( -3.703 1.220 -0.413) 3.920 7.746 ( 2.910 -0.115 1.439) 3.248 7.962 ( -0.914 -0.007 -6.589) 6.652 8.046 ( -1.587 3.232 -2.469) 4.366 8.144 ( 0.873 0.973 0.827) 1.547 8.326 ( -2.811 3.584 0.763) 4.618 8.385 ( -0.035 1.536 2.083) 2.588 9.637 ( 1.855 -2.860 4.615) 5.738 9.700 ( -3.664 -0.596 -6.251) 7.270 10.223 ( -2.505 0.770 -4.744) 5.419 10.430 ( -4.829 1.466 1.332) 5.220 10.782 ( -4.849 -2.312 -1.166) 5.497 10.805 ( -5.530 -2.162 -5.003) 7.764 10.910 ( -2.766 1.852 -1.496) 3.649 11.076 ( 0.062 3.259 7.707) 8.368 11.434 ( 3.880 -4.684 3.409) 6.973 11.595 ( 4.694 3.978 10.064) 11.796 12.194 ( 2.625 2.419 -11.394) 11.940 12.436 ( 0.315 4.368 4.723) 6.441 12.524 ( 3.410 3.486 3.314) 5.896 12.556 ( 0.010 1.814 -2.617) 3.184 15.608 ( -0.702 -2.844 -1.438) 3.263 15.734 ( -0.021 -4.173 1.337) 4.382 20.294 ( -6.466 4.589 -7.486) 10.905 20.438 ( -8.884 7.718 11.142) 16.206 24.010 ( 0.822 1.127 0.302) 1.428 24.062 ( 2.062 -0.251 -0.527) 2.143 24.277 ( 0.528 -2.040 -0.179) 2.114 24.332 ( -0.838 -3.734 0.753) 3.901 24.578 ( -4.974 1.188 0.389) 5.128 24.753 ( 2.136 1.788 0.177) 2.791 24.777 ( 0.547 -2.244 -1.184) 2.596 25.016 ( 0.055 -0.865 4.017) 4.109 25.107 ( 0.842 -2.251 -4.897) 5.455 25.205 ( 3.274 -1.032 0.583) 3.482 25.727 ( 0.386 3.416 -4.339) 5.536 26.121 ( 5.551 -2.550 2.594) 6.637 ======================= Grid point 109 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -3.258 -2.779 -2.432) 4.924 1.580 ( 2.221 -4.489 -3.101) 5.891 1.946 ( 8.016 -6.373 -2.989) 10.668 2.086 ( 10.806 -3.003 6.444) 12.935 2.176 ( 9.825 -2.494 9.527) 13.911 2.421 ( 5.627 -7.413 -6.392) 11.290 2.558 ( -0.353 2.515 1.910) 3.178 2.771 ( -10.581 10.912 1.746) 15.300 2.789 ( -1.073 -1.411 -3.416) 3.849 3.006 ( 3.629 -1.792 8.450) 9.370 3.238 ( 5.809 -0.224 -7.739) 9.679 3.344 ( 3.814 -0.153 -1.107) 3.974 3.513 ( 8.139 -4.729 -2.710) 9.796 3.607 ( -9.614 2.857 -0.225) 10.032 3.782 ( 6.482 0.667 -1.119) 6.612 4.040 ( -2.978 12.498 -0.468) 12.856 4.153 ( -9.045 -8.455 2.062) 12.552 4.195 ( -4.005 7.613 -6.020) 10.500 4.310 ( 1.928 9.338 1.466) 9.647 4.432 ( 2.301 3.478 -6.684) 7.878 4.623 ( -3.141 -9.905 -0.149) 10.392 4.672 ( 4.749 3.926 0.442) 6.177 4.752 ( -3.396 2.383 -1.399) 4.378 4.901 ( -2.809 4.138 1.453) 5.208 5.085 ( -3.674 2.452 -1.519) 4.671 5.224 ( 0.901 -1.333 4.239) 4.534 5.310 ( -8.609 1.469 9.669) 13.029 5.637 ( -0.971 -3.321 4.363) 5.569 5.692 ( 0.923 0.638 -5.649) 5.759 5.790 ( 0.139 -2.314 1.228) 2.623 6.008 ( 3.582 0.844 -0.245) 3.689 6.086 ( -2.237 -6.666 1.647) 7.222 6.183 ( 5.255 -6.138 1.168) 8.164 6.242 ( 1.231 -1.293 0.593) 1.881 6.450 ( 1.205 -6.351 1.780) 6.705 6.510 ( 9.224 -1.009 0.673) 9.304 6.596 ( -2.244 -5.540 -2.494) 6.477 6.768 ( -0.892 -2.881 -3.119) 4.339 6.843 ( -4.263 -1.239 -0.716) 4.497 7.043 ( -4.480 7.938 0.682) 9.140 7.130 ( -2.143 2.146 1.661) 3.458 7.230 ( -2.649 3.096 -0.460) 4.100 7.776 ( 0.308 0.023 -0.275) 0.413 7.953 ( 0.086 -0.507 -0.791) 0.943 8.000 ( -0.300 1.891 -4.420) 4.817 8.147 ( 0.906 1.783 0.998) 2.235 8.251 ( -1.677 2.819 1.271) 3.518 8.369 ( -0.643 0.868 1.393) 1.763 9.636 ( -3.760 -0.365 -5.534) 6.701 9.702 ( 2.136 -2.301 4.159) 5.211 10.158 ( -3.820 0.404 -7.917) 8.800 10.375 ( -0.088 1.590 3.204) 3.578 10.686 ( -6.289 -2.882 -7.913) 10.511 10.789 ( -2.135 -1.885 -0.516) 2.894 10.867 ( -0.681 0.222 1.205) 1.402 11.085 ( 3.560 3.414 9.364) 10.584 11.530 ( 2.420 -3.154 3.638) 5.389 11.627 ( 2.591 3.686 6.373) 7.805 12.211 ( 1.656 -0.239 -11.848) 11.965 12.395 ( -0.939 2.615 2.392) 3.667 12.541 ( -0.769 -0.302 1.729) 1.917 12.550 ( 2.930 2.881 0.779) 4.183 15.621 ( -0.475 -1.875 -1.581) 2.499 15.767 ( 0.291 -1.714 1.892) 2.570 20.191 ( -2.880 1.010 -7.003) 7.639 20.273 ( -4.200 4.494 7.865) 9.984 24.010 ( 0.385 0.718 0.155) 0.829 24.092 ( 1.232 -0.065 -0.443) 1.311 24.309 ( 1.021 -1.492 -0.411) 1.854 24.353 ( -0.332 -2.312 0.581) 2.407 24.506 ( -2.293 0.658 -1.118) 2.635 24.751 ( 0.577 3.106 3.144) 4.457 24.799 ( -1.300 -2.555 0.686) 2.948 25.024 ( 0.349 -0.681 1.928) 2.074 25.143 ( 1.582 -1.026 -4.859) 5.212 25.280 ( 2.811 -2.937 0.120) 4.067 25.671 ( -1.645 4.140 -2.671) 5.194 26.204 ( 2.411 -1.036 2.203) 3.426 ======================= Grid point 110 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.496 -3.235 -0.140) 4.765 1.631 ( 0.016 -2.073 -4.648) 5.090 2.098 ( 0.314 -2.304 -1.000) 2.531 2.158 ( -0.187 1.093 2.117) 2.390 2.319 ( -2.017 -0.725 2.605) 3.373 2.496 ( 7.119 2.775 7.264) 10.543 2.571 ( 4.045 0.416 2.130) 4.591 2.620 ( 1.351 3.817 -3.835) 5.576 2.754 ( -4.801 -2.804 -3.099) 6.365 3.035 ( -1.530 2.151 10.564) 10.889 3.220 ( -2.967 -0.557 -6.736) 7.382 3.386 ( 2.102 3.353 1.615) 4.274 3.468 ( -7.239 -3.796 -8.348) 11.683 3.718 ( 6.516 -0.100 -1.828) 6.769 3.765 ( -0.510 -3.226 -2.927) 4.385 3.937 ( 0.829 6.392 2.177) 6.803 4.087 ( -1.137 -0.343 -2.350) 2.633 4.150 ( -1.511 -3.995 0.513) 4.302 4.271 ( 0.805 2.129 -3.711) 4.353 4.484 ( 4.141 -2.464 -1.535) 5.058 4.621 ( -2.211 3.720 -1.258) 4.507 4.666 ( -1.031 -2.334 -6.051) 6.567 4.741 ( 1.180 -2.090 2.208) 3.262 4.896 ( 1.663 1.287 1.221) 2.431 5.010 ( -2.197 1.843 1.372) 3.179 5.183 ( -4.279 2.598 6.174) 7.948 5.295 ( 4.861 -1.046 5.631) 7.512 5.653 ( -1.553 -3.033 4.883) 5.954 5.692 ( 0.963 0.675 -0.002) 1.176 5.820 ( 1.817 0.494 -1.623) 2.486 5.997 ( -4.800 -3.177 0.639) 5.791 6.126 ( 3.913 3.554 -0.398) 5.301 6.232 ( -3.787 -3.757 2.192) 5.767 6.293 ( 0.924 1.283 0.042) 1.582 6.481 ( -2.955 -1.206 0.878) 3.310 6.642 ( 0.729 1.632 -3.914) 4.303 6.698 ( 8.471 -0.761 1.684) 8.670 6.730 ( -4.989 0.566 -0.678) 5.066 6.800 ( 5.611 -1.179 -2.682) 6.330 6.912 ( -3.768 2.919 -0.640) 4.809 7.064 ( -0.246 -0.447 3.805) 3.839 7.206 ( -0.479 -0.689 -1.156) 1.429 7.760 ( -2.150 -1.311 -0.629) 2.596 7.978 ( 1.028 -0.175 -1.041) 1.473 7.989 ( 1.040 -0.750 -2.052) 2.420 8.128 ( -0.262 2.787 -1.915) 3.392 8.244 ( 2.340 0.388 3.959) 4.615 8.350 ( -0.947 0.159 0.438) 1.055 9.575 ( -2.710 0.454 -3.942) 4.805 9.760 ( 2.313 -1.121 2.539) 3.613 10.082 ( -4.081 0.151 -7.518) 8.556 10.391 ( 3.069 1.401 3.486) 4.851 10.612 ( -5.135 -2.387 -6.977) 8.985 10.776 ( -0.712 -1.315 -1.735) 2.291 10.874 ( 0.224 -1.323 2.618) 2.942 11.128 ( 4.147 3.065 7.650) 9.225 11.580 ( 0.747 -0.904 4.790) 4.931 11.617 ( 0.034 3.519 4.551) 5.753 12.220 ( -0.809 -1.262 -11.950) 12.044 12.372 ( 0.054 0.200 1.328) 1.344 12.536 ( -1.426 -1.963 2.941) 3.812 12.569 ( 1.779 1.272 0.454) 2.234 15.625 ( -0.347 -0.567 -1.575) 1.709 15.781 ( 0.563 0.602 1.962) 2.128 20.109 ( -4.633 1.619 -1.803) 5.228 20.265 ( 4.142 -1.502 2.077) 4.871 24.011 ( 0.126 0.074 0.088) 0.171 24.101 ( -0.241 -0.123 -0.339) 0.434 24.327 ( 0.191 0.192 -0.218) 0.348 24.366 ( 0.118 -0.298 0.255) 0.410 24.495 ( 1.340 -0.766 -2.902) 3.287 24.710 ( -2.147 3.072 6.308) 7.337 24.794 ( -1.415 -1.495 0.227) 2.071 25.039 ( 0.389 0.110 0.706) 0.814 25.176 ( 2.194 -0.479 -4.233) 4.792 25.329 ( 0.135 -0.464 -0.086) 0.491 25.613 ( -1.357 0.463 -2.114) 2.554 26.238 ( 0.859 -0.370 1.962) 2.173 ======================= Grid point 111 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -5.844 -4.352 -2.951) 7.862 1.596 ( -4.243 2.177 0.245) 4.775 1.955 ( -9.919 6.972 -1.526) 12.220 2.137 ( -4.468 3.446 4.918) 7.485 2.176 ( -7.040 6.262 1.822) 9.597 2.526 ( -4.220 2.756 -7.645) 9.157 2.634 ( 6.256 6.558 8.575) 12.477 2.720 ( 4.370 -7.121 -4.283) 9.388 2.734 ( 0.866 -3.632 5.309) 6.491 2.927 ( -8.933 1.087 7.708) 11.849 3.197 ( -1.689 -1.191 -11.948) 12.126 3.340 ( -8.071 1.344 -2.922) 8.688 3.431 ( 5.395 -1.725 1.745) 5.927 3.695 ( -5.598 5.732 0.540) 8.030 3.789 ( -1.740 -1.781 -3.387) 4.203 4.022 ( 8.279 -8.287 -0.214) 11.716 4.134 ( 4.374 -3.002 -0.791) 5.364 4.194 ( 2.827 -1.699 -1.084) 3.472 4.304 ( -1.170 -9.247 -1.360) 9.420 4.458 ( -6.071 1.086 -4.442) 7.601 4.640 ( 4.737 1.523 -2.992) 5.806 4.727 ( 6.113 -7.734 0.737) 9.885 4.808 ( 2.142 -4.306 -1.024) 4.917 4.853 ( -2.139 1.648 3.803) 4.664 5.034 ( 6.027 1.975 -0.246) 6.347 5.130 ( 1.741 3.804 2.884) 5.081 5.389 ( 5.443 1.581 7.258) 9.209 5.647 ( -1.078 -0.541 -0.802) 1.449 5.729 ( 1.771 -2.042 6.133) 6.702 5.812 ( -3.045 -0.268 -0.005) 3.056 5.942 ( -3.795 -0.151 -3.988) 5.507 6.103 ( -0.398 6.055 1.475) 6.245 6.203 ( -1.697 1.187 1.456) 2.532 6.237 ( -1.565 4.516 0.068) 4.780 6.369 ( -9.088 1.222 -0.723) 9.199 6.526 ( -2.959 6.573 3.173) 7.876 6.691 ( 1.322 6.688 -4.973) 8.438 6.780 ( 6.888 8.853 0.731) 11.241 6.863 ( -1.233 -4.162 -3.121) 5.347 6.999 ( 8.155 -5.564 2.166) 10.107 7.148 ( 2.292 -3.745 1.678) 4.700 7.217 ( 0.875 -4.680 -1.061) 4.878 7.755 ( -0.648 -2.817 0.648) 2.963 7.975 ( -0.071 -0.069 -4.790) 4.791 8.040 ( 1.712 -0.809 1.229) 2.257 8.113 ( 1.640 -0.459 -2.002) 2.628 8.285 ( 0.583 -0.730 1.248) 1.559 8.352 ( 1.698 -0.441 2.157) 2.781 9.534 ( -0.952 1.181 -1.755) 2.319 9.802 ( 1.779 0.050 -0.795) 1.949 10.007 ( -4.041 0.125 -5.075) 6.488 10.442 ( 4.466 2.214 3.425) 6.048 10.552 ( -3.700 -1.927 -5.080) 6.573 10.789 ( 0.424 -1.750 -1.055) 2.087 10.903 ( 1.562 -1.424 1.642) 2.676 11.162 ( 2.463 3.001 3.079) 4.955 11.568 ( -2.074 3.003 0.484) 3.682 11.591 ( 0.400 1.322 11.712) 11.793 12.191 ( -2.805 -2.072 -12.030) 12.525 12.388 ( 0.101 -1.959 1.421) 2.422 12.536 ( -2.065 -3.320 3.736) 5.408 12.591 ( 1.057 -1.257 -0.640) 1.763 15.618 ( -0.220 0.788 -1.446) 1.662 15.779 ( 0.998 2.862 1.757) 3.503 20.021 ( -4.036 1.214 -1.058) 4.345 20.418 ( 9.269 -5.958 1.925) 11.185 24.013 ( -0.137 -0.520 0.179) 0.567 24.087 ( -1.569 -0.255 -0.456) 1.654 24.316 ( -0.076 1.730 -0.460) 1.791 24.358 ( -0.085 2.101 0.598) 2.187 24.553 ( 3.906 -1.885 -3.661) 5.676 24.646 ( -2.648 1.848 5.808) 6.645 24.785 ( -0.836 -0.442 -0.199) 0.967 25.025 ( -0.793 2.041 0.973) 2.396 25.214 ( 1.302 -0.856 -2.966) 3.351 25.288 ( -2.216 3.493 0.036) 4.136 25.617 ( -0.941 -3.863 -2.376) 4.632 26.250 ( 0.172 -0.383 1.835) 1.882 ======================= Grid point 112 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -13.528 1.217 -4.486) 14.304 1.470 ( -8.614 4.288 4.652) 10.688 1.684 ( -8.119 11.222 -2.366) 14.052 1.913 ( -10.617 8.899 4.702) 14.629 2.042 ( -5.650 6.138 7.656) 11.324 2.352 ( -12.155 2.688 -5.293) 13.527 2.567 ( -8.331 9.019 2.889) 12.613 2.638 ( -10.858 3.705 4.018) 12.156 2.788 ( -5.234 -2.126 -2.574) 6.208 2.952 ( 4.504 -2.611 -4.557) 6.918 3.137 ( -15.231 1.041 5.726) 16.305 3.181 ( 1.967 -6.979 -7.993) 10.792 3.341 ( -7.519 3.859 -0.498) 8.466 3.726 ( -7.827 -0.247 0.856) 7.877 3.833 ( 16.471 -5.905 -4.475) 18.061 4.110 ( -0.543 2.996 -2.467) 3.919 4.246 ( -0.213 -2.014 2.321) 3.080 4.286 ( 4.215 -1.507 0.290) 4.486 4.341 ( 7.334 -9.972 -3.505) 12.865 4.554 ( 3.076 -14.917 0.254) 15.233 4.712 ( -0.137 -3.214 -2.243) 3.921 4.804 ( 8.130 -1.108 -1.194) 8.291 4.885 ( 6.108 0.156 -0.935) 6.181 5.009 ( 6.858 -9.089 4.245) 12.152 5.137 ( 8.663 -1.479 -2.350) 9.097 5.208 ( 7.684 -1.954 0.943) 7.985 5.451 ( 5.275 6.014 8.636) 11.772 5.631 ( -1.499 -2.150 -1.206) 2.886 5.743 ( -5.034 -4.471 0.714) 6.770 5.798 ( 3.765 0.843 2.510) 4.603 5.845 ( -4.541 2.970 -5.004) 7.381 6.066 ( 2.868 6.254 0.932) 6.943 6.122 ( -6.774 1.294 1.119) 6.986 6.171 ( 2.710 7.710 1.204) 8.261 6.260 ( -1.823 3.508 1.188) 4.128 6.422 ( -1.323 7.648 -0.319) 7.769 6.623 ( 0.254 8.624 -0.692) 8.655 6.775 ( 1.736 6.535 0.798) 6.809 6.909 ( 2.441 -1.524 -4.406) 5.262 7.104 ( -2.136 -1.465 0.200) 2.598 7.176 ( -0.701 -5.224 3.551) 6.355 7.327 ( 4.703 -3.920 -0.418) 6.136 7.776 ( -1.136 -2.604 -0.668) 2.918 7.978 ( 0.045 -1.723 -3.328) 3.748 8.052 ( 1.069 0.692 -3.872) 4.076 8.191 ( 3.223 -3.576 1.217) 4.965 8.287 ( -0.130 -0.941 -1.003) 1.381 8.403 ( 2.313 -1.159 3.275) 4.173 9.517 ( 0.591 1.587 0.751) 1.852 9.804 ( -1.263 0.558 -6.648) 6.790 9.948 ( -1.739 0.217 0.988) 2.012 10.483 ( 2.261 2.904 1.486) 3.970 10.532 ( 0.382 -1.061 -0.086) 1.131 10.820 ( 1.388 -1.638 0.667) 2.249 10.964 ( 4.341 -0.793 -0.536) 4.445 11.142 ( -1.071 3.507 -1.363) 3.912 11.486 ( -4.352 2.619 -0.271) 5.087 11.605 ( 1.886 2.121 15.030) 15.295 12.164 ( -2.097 -3.452 -11.489) 12.178 12.403 ( -2.109 -3.803 2.350) 4.943 12.536 ( -2.745 -4.125 3.401) 6.010 12.632 ( 0.521 -4.312 -1.049) 4.469 15.602 ( 0.159 1.896 -1.184) 2.241 15.761 ( 1.495 5.293 1.050) 5.599 19.950 ( -3.068 0.854 0.510) 3.225 20.688 ( 12.928 -9.873 3.274) 16.593 24.014 ( -0.694 -0.793 0.386) 1.122 24.056 ( -2.156 -0.205 -0.604) 2.248 24.295 ( 0.117 2.457 -0.734) 2.568 24.324 ( -0.325 3.903 1.349) 4.142 24.610 ( -0.035 0.653 2.607) 2.688 24.646 ( 4.485 -2.083 -3.014) 5.791 24.775 ( -0.750 -0.339 -0.230) 0.855 24.981 ( -1.035 3.456 1.149) 3.787 25.179 ( -4.633 0.501 -1.206) 4.813 25.257 ( 1.441 2.318 0.021) 2.730 25.618 ( -3.631 -3.271 -3.148) 5.813 26.260 ( -0.037 -1.238 1.057) 1.628 ======================= Grid point 113 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -14.092 7.335 2.838) 16.138 1.139 ( -19.011 11.852 7.326) 23.571 1.473 ( -7.692 12.602 -3.756) 15.234 1.733 ( -7.094 2.606 11.378) 13.659 1.850 ( -5.734 6.006 -3.495) 9.009 1.996 ( -27.865 11.929 9.174) 31.669 2.220 ( -14.660 7.287 1.989) 16.492 2.435 ( -8.871 1.996 4.695) 10.234 2.642 ( -11.745 1.156 -9.502) 15.152 2.786 ( -11.757 7.681 -6.302) 15.392 2.982 ( -3.884 1.388 2.476) 4.811 3.179 ( -8.316 4.272 -0.236) 9.352 3.475 ( 11.001 -13.601 -10.011) 20.155 3.596 ( -5.975 -4.819 -2.274) 8.006 3.958 ( -2.323 -0.941 2.052) 3.239 4.214 ( 10.056 -0.105 1.520) 10.171 4.316 ( 1.293 -6.368 5.906) 8.781 4.428 ( 14.995 2.327 -5.856) 16.266 4.525 ( 3.978 -7.890 0.102) 8.836 4.642 ( 0.768 -1.325 -1.529) 2.164 4.843 ( 3.973 -15.233 -4.279) 16.313 4.973 ( 4.686 -1.364 -0.411) 4.898 5.048 ( 10.745 -6.252 -1.371) 12.507 5.190 ( 9.290 -1.990 3.679) 10.188 5.321 ( 2.168 -9.975 0.556) 10.223 5.354 ( 5.804 -3.683 -2.213) 7.221 5.449 ( 1.987 1.602 7.950) 8.349 5.650 ( -1.794 4.852 1.474) 5.379 5.737 ( -0.202 -1.092 -5.658) 5.766 5.802 ( 4.432 -3.232 -2.393) 5.984 5.871 ( 6.093 -0.778 -0.059) 6.142 5.989 ( -3.123 6.616 -1.494) 7.467 6.056 ( 1.651 2.606 3.252) 4.482 6.175 ( -1.103 7.092 1.814) 7.403 6.230 ( 11.466 6.308 2.487) 13.320 6.342 ( 0.933 7.819 -2.490) 8.259 6.539 ( 0.036 8.161 2.036) 8.411 6.719 ( -4.557 -0.031 0.316) 4.568 6.925 ( 2.028 6.470 -5.633) 8.815 7.032 ( -7.911 -2.204 0.261) 8.216 7.159 ( -6.660 -2.404 3.158) 7.753 7.452 ( 5.297 -3.974 1.037) 6.702 7.733 ( -6.747 -1.104 -5.855) 9.001 8.001 ( 0.095 -2.435 -1.983) 3.141 8.066 ( 1.593 0.447 -6.635) 6.838 8.237 ( -0.896 -2.221 -1.636) 2.900 8.328 ( 3.124 -0.772 1.048) 3.384 8.446 ( 0.655 -1.793 2.563) 3.195 9.519 ( 1.195 1.668 2.977) 3.615 9.746 ( -2.400 1.317 -4.884) 5.599 9.964 ( 2.907 -1.234 7.727) 8.347 10.479 ( 0.458 1.645 0.445) 1.765 10.566 ( 3.062 1.489 4.987) 6.038 10.878 ( 4.213 -0.935 2.167) 4.829 11.034 ( 2.701 3.728 -5.268) 6.996 11.094 ( 1.375 0.301 1.516) 2.068 11.373 ( -5.976 2.262 -0.893) 6.452 11.620 ( 0.220 1.840 12.342) 12.480 12.183 ( 1.092 -3.876 -8.143) 9.085 12.401 ( -5.115 -8.225 3.609) 10.337 12.531 ( -2.871 -3.994 2.037) 5.324 12.684 ( -0.797 -6.144 -0.546) 6.220 15.587 ( 0.857 2.602 -0.925) 2.891 15.722 ( 1.689 8.286 -0.682) 8.484 19.917 ( 0.763 0.438 7.679) 7.730 21.023 ( 12.273 -12.030 5.794) 18.136 24.004 ( -1.306 -0.529 0.354) 1.453 24.022 ( -1.904 0.044 -0.389) 1.944 24.271 ( 0.384 3.119 -0.716) 3.223 24.283 ( -0.045 3.415 1.192) 3.618 24.639 ( 3.960 -0.145 -0.765) 4.036 24.732 ( 3.784 -0.474 -1.171) 3.990 24.772 ( -0.373 -2.039 -0.279) 2.092 24.932 ( -0.241 4.174 0.932) 4.283 25.105 ( -4.598 -2.329 -1.228) 5.298 25.245 ( 0.359 3.486 1.054) 3.659 25.541 ( -7.425 -0.527 -3.854) 8.383 26.268 ( -1.838 -2.370 -3.119) 4.327 ======================= Grid point 114 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -4.769 7.013 19.634) 21.387 0.700 ( -19.073 10.884 13.446) 25.750 1.212 ( -12.461 9.577 8.479) 17.857 1.297 ( -26.271 13.885 6.619) 30.443 1.512 ( -8.444 6.028 -7.084) 12.563 1.873 ( 2.513 -0.645 6.479) 6.979 1.968 ( -8.607 5.118 6.211) 11.783 2.324 ( -4.020 0.830 4.768) 6.292 2.344 ( -19.263 6.752 -3.939) 20.788 2.547 ( -4.967 2.619 -5.849) 8.109 2.920 ( -2.882 -1.398 -1.475) 3.526 3.017 ( -5.566 3.228 -11.252) 12.962 3.594 ( -0.691 -8.096 -3.962) 9.040 3.734 ( 8.138 -3.188 -10.704) 13.819 3.957 ( 0.638 -1.651 7.590) 7.793 4.276 ( -2.596 -0.818 6.179) 6.751 4.387 ( -0.308 -4.901 1.315) 5.084 4.623 ( 1.877 0.983 -3.844) 4.389 4.684 ( 6.804 -2.393 4.219) 8.356 4.710 ( 15.355 0.440 -5.450) 16.299 5.011 ( 5.411 0.185 -1.104) 5.526 5.088 ( -1.159 -12.006 -0.831) 12.091 5.198 ( 2.757 -7.537 -3.733) 8.851 5.307 ( 2.281 -0.727 4.124) 4.768 5.387 ( -0.985 -3.720 -3.943) 5.509 5.474 ( -1.194 -0.659 -2.974) 3.272 5.496 ( 3.078 4.479 0.900) 5.508 5.656 ( 8.110 -9.491 7.068) 14.346 5.709 ( -2.060 0.305 -1.548) 2.594 5.826 ( -1.764 4.945 -0.307) 5.259 5.889 ( 1.183 1.132 -2.267) 2.796 5.985 ( 7.946 12.405 -2.388) 14.924 6.099 ( 1.394 6.518 0.443) 6.680 6.203 ( 9.032 -6.677 5.837) 12.658 6.285 ( 1.124 6.108 -4.924) 7.926 6.409 ( 11.464 3.419 1.747) 12.090 6.502 ( 3.573 1.989 3.418) 5.330 6.651 ( -3.107 -3.493 0.799) 4.742 6.826 ( -4.468 10.419 -1.655) 11.457 6.882 ( -7.451 2.377 -1.899) 8.048 7.036 ( -12.398 -5.387 -1.170) 13.568 7.419 ( -25.297 -0.098 -21.389) 33.128 7.614 ( 1.626 0.745 5.988) 6.250 8.020 ( 0.226 -1.270 0.365) 1.340 8.080 ( 1.070 0.299 -8.794) 8.864 8.234 ( -0.828 -1.122 -3.086) 3.386 8.367 ( 1.162 0.167 0.616) 1.326 8.461 ( -0.941 -1.172 1.510) 2.130 9.523 ( 0.607 0.948 4.592) 4.727 9.759 ( 5.062 0.716 -0.404) 5.128 10.154 ( 17.713 -7.052 18.931) 26.868 10.458 ( -0.240 3.476 0.340) 3.501 10.636 ( 8.132 0.892 13.261) 15.581 10.974 ( 2.927 1.173 -1.371) 3.438 11.034 ( 10.993 2.504 4.908) 12.296 11.165 ( 3.998 -0.252 -0.322) 4.019 11.254 ( -5.279 1.390 -0.630) 5.495 11.585 ( -3.649 0.916 6.856) 7.821 12.255 ( 3.872 -2.350 -3.318) 5.615 12.424 ( -6.487 -17.354 5.489) 19.323 12.517 ( -2.653 -2.141 -0.110) 3.411 12.712 ( -2.572 -4.747 -0.125) 5.400 15.577 ( 1.543 3.615 -1.089) 4.079 15.644 ( 0.078 10.532 -2.676) 10.867 20.109 ( 26.691 -5.125 29.610) 40.193 21.274 ( 2.198 -8.807 7.305) 11.652 23.985 ( -1.178 -0.220 0.233) 1.221 23.998 ( -0.763 0.046 -0.319) 0.828 24.249 ( 0.723 2.895 -0.420) 3.014 24.258 ( 0.140 2.273 0.158) 2.283 24.729 ( 4.883 -0.555 -1.437) 5.120 24.760 ( 1.339 0.616 0.174) 1.484 24.827 ( 2.681 -3.217 -0.285) 4.197 24.900 ( 0.992 3.460 0.888) 3.707 25.090 ( -1.207 -6.812 -1.273) 7.035 25.211 ( 0.876 4.758 0.910) 4.922 25.391 ( -8.675 1.189 -3.571) 9.456 26.154 ( -17.839 0.702 -17.442) 24.959 ======================= Grid point 116 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 18.359 -0.000 -0.338) 18.362 1.228 ( 18.024 -0.000 17.289) 24.976 1.602 ( 14.674 -0.000 -15.493) 21.339 1.702 ( 2.000 -0.000 -2.339) 3.078 1.765 ( -1.831 0.000 1.653) 2.467 1.798 ( 13.665 -0.000 13.006) 18.865 2.056 ( 34.838 -0.000 15.609) 38.175 2.241 ( 20.451 -0.000 0.368) 20.454 2.537 ( 0.424 -0.000 -9.053) 9.062 2.901 ( 19.997 -0.000 4.885) 20.585 2.948 ( 7.605 -0.000 -11.201) 13.539 3.117 ( 10.986 -0.000 2.084) 11.182 3.553 ( -0.908 0.000 -8.580) 8.628 3.831 ( -16.295 0.000 4.133) 16.811 4.006 ( 1.767 -0.000 -8.513) 8.695 4.190 ( -4.559 0.000 -3.678) 5.858 4.200 ( 5.684 -0.000 1.860) 5.980 4.398 ( -8.306 0.000 2.891) 8.795 4.513 ( -8.345 0.000 3.846) 9.189 4.688 ( -11.210 0.000 8.791) 14.246 4.869 ( -12.636 0.000 -7.288) 14.587 5.099 ( -3.146 0.000 2.573) 4.064 5.099 ( -7.148 0.000 -5.639) 9.105 5.346 ( 0.514 -0.000 -5.425) 5.449 5.353 ( 2.732 -0.000 1.197) 2.982 5.489 ( -4.627 0.000 -1.852) 4.984 5.621 ( -8.104 0.000 9.748) 12.677 5.629 ( -0.396 0.000 4.530) 4.548 5.718 ( -11.006 0.000 -6.913) 12.997 5.766 ( 5.869 -0.000 -3.884) 7.037 5.864 ( -8.324 0.000 -10.273) 13.222 5.908 ( -4.999 0.000 3.865) 6.319 6.009 ( -5.138 0.000 2.373) 5.660 6.064 ( -3.262 0.000 3.615) 4.870 6.284 ( -8.467 0.000 8.640) 12.097 6.315 ( -1.393 0.000 9.842) 9.940 6.326 ( 6.010 -0.000 -14.493) 15.689 6.492 ( 2.863 -0.000 0.155) 2.867 6.854 ( 6.069 -0.000 -2.089) 6.418 7.068 ( 12.527 -0.000 2.127) 12.707 7.214 ( 5.218 -0.000 4.896) 7.155 7.286 ( 6.498 -0.000 -3.519) 7.390 7.673 ( 3.438 -0.000 4.283) 5.492 7.996 ( -2.797 0.000 -12.007) 12.329 8.124 ( 1.868 -0.000 2.874) 3.428 8.159 ( -2.117 0.000 -3.886) 4.425 8.405 ( -0.991 0.000 -1.060) 1.451 8.435 ( -0.163 0.000 4.356) 4.359 9.556 ( 1.084 -0.000 4.827) 4.947 9.754 ( -3.010 0.000 -6.809) 7.444 10.283 ( -2.240 0.000 -3.542) 4.190 10.527 ( -3.930 0.000 3.801) 5.467 10.774 ( -3.153 0.000 1.145) 3.354 10.999 ( -13.939 0.000 -11.612) 18.142 11.004 ( -3.683 0.000 -2.726) 4.582 11.164 ( -2.256 0.000 5.832) 6.253 11.255 ( 3.011 -0.000 1.937) 3.580 11.599 ( 1.313 -0.000 16.101) 16.155 12.277 ( -1.701 0.000 -11.290) 11.417 12.501 ( 4.335 -0.000 5.370) 6.901 12.594 ( -3.614 0.000 7.328) 8.170 12.629 ( -0.815 0.000 -4.377) 4.452 15.563 ( -0.352 0.000 -1.037) 1.095 15.592 ( 2.423 -0.000 1.618) 2.914 20.613 ( -16.348 0.000 -16.620) 23.313 20.913 ( -26.710 0.000 30.225) 40.336 24.016 ( 1.657 -0.000 -0.097) 1.660 24.018 ( 2.065 -0.000 0.062) 2.066 24.235 ( -0.072 0.000 -0.094) 0.119 24.244 ( 0.271 -0.000 0.150) 0.310 24.701 ( 2.444 -0.000 -3.389) 4.178 24.705 ( -7.104 0.000 1.031) 7.179 24.775 ( 0.941 -0.000 0.095) 0.946 24.939 ( 2.822 -0.000 -0.497) 2.866 25.097 ( -2.265 0.000 0.106) 2.267 25.185 ( 2.119 -0.000 -0.767) 2.254 25.676 ( 14.501 -0.000 -16.455) 21.933 25.877 ( 11.032 -0.000 10.332) 15.115 ======================= Grid point 117 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 10.701 -8.670 -8.386) 16.125 1.497 ( 9.632 -2.046 4.347) 10.764 1.675 ( 2.528 2.812 -2.006) 4.281 1.843 ( 12.508 -0.619 -3.156) 12.914 1.896 ( 14.043 -2.066 8.481) 16.535 2.042 ( 9.977 -7.011 6.400) 13.771 2.521 ( 8.664 -2.228 1.892) 9.144 2.553 ( 8.748 -4.059 3.476) 10.251 2.728 ( 32.731 -1.124 -5.961) 33.288 2.984 ( 0.423 4.667 -0.816) 4.756 3.199 ( 2.154 -2.481 3.759) 4.992 3.276 ( 6.725 -6.274 0.735) 9.226 3.493 ( -18.154 4.894 -2.295) 18.942 3.574 ( 9.297 3.046 -10.893) 14.641 4.001 ( -3.389 2.926 -3.162) 5.482 4.141 ( -0.397 0.935 -0.252) 1.046 4.191 ( -10.397 -3.155 -1.094) 10.920 4.365 ( 6.271 1.916 1.944) 6.839 4.430 ( 0.052 -0.893 6.579) 6.639 4.529 ( -8.688 0.320 1.544) 8.830 4.628 ( -8.525 4.673 -3.684) 10.396 4.934 ( -6.783 6.967 -5.202) 11.028 5.038 ( -2.269 8.639 1.389) 9.040 5.197 ( -5.716 6.337 -0.924) 8.584 5.308 ( -11.249 0.996 0.713) 11.315 5.410 ( -11.447 9.002 4.152) 15.143 5.512 ( -1.720 -11.441 1.161) 11.628 5.564 ( -3.052 8.852 0.766) 9.395 5.628 ( 0.596 0.231 -3.775) 3.829 5.674 ( -5.249 -2.632 -4.257) 7.253 5.838 ( -2.387 -5.218 2.484) 6.253 5.919 ( 1.593 -7.084 -0.854) 7.311 5.972 ( -3.472 -4.443 2.896) 6.339 6.080 ( 3.749 -5.671 0.141) 6.800 6.256 ( 0.629 -0.953 7.825) 7.908 6.357 ( 2.670 -4.629 5.507) 7.674 6.442 ( 4.049 -3.038 -8.157) 9.600 6.573 ( 4.125 -3.578 -1.889) 5.778 6.904 ( 1.017 1.334 -2.959) 3.401 7.186 ( 3.094 2.328 -0.829) 3.960 7.257 ( 1.028 2.450 7.623) 8.072 7.337 ( -0.040 0.207 -1.153) 1.172 7.746 ( 4.084 0.065 1.907) 4.508 7.960 ( -0.496 -0.152 -9.695) 9.708 8.101 ( -2.820 1.901 -3.028) 4.554 8.149 ( 0.413 -0.280 2.386) 2.438 8.374 ( -2.350 1.000 -1.258) 2.847 8.413 ( -1.696 1.198 4.844) 5.271 9.593 ( 2.125 -1.277 4.563) 5.193 9.693 ( -3.555 -0.183 -6.539) 7.446 10.237 ( -2.694 0.473 -5.697) 6.320 10.457 ( -3.627 0.901 4.712) 6.014 10.742 ( -2.159 -1.217 0.979) 2.665 10.769 ( -10.752 -1.164 -12.081) 16.214 10.940 ( -3.109 0.919 -2.637) 4.179 11.146 ( 1.317 2.996 8.649) 9.247 11.348 ( 4.691 -3.295 3.477) 6.705 11.648 ( 3.075 1.319 12.128) 12.581 12.237 ( -0.540 1.337 -13.260) 13.338 12.519 ( -2.805 3.164 6.072) 7.399 12.558 ( 1.375 0.542 3.709) 3.992 12.603 ( -0.260 1.745 -2.481) 3.044 15.567 ( 0.353 -1.034 -1.328) 1.720 15.656 ( 2.579 -2.816 1.886) 4.258 20.362 ( -10.423 1.919 -14.008) 17.566 20.568 ( -14.487 4.218 19.359) 24.544 24.035 ( 1.069 1.247 0.150) 1.649 24.054 ( 2.021 -0.531 -0.234) 2.103 24.247 ( 0.985 -0.767 0.058) 1.250 24.263 ( 0.348 -2.537 0.174) 2.567 24.593 ( -5.695 0.352 0.795) 5.761 24.736 ( 1.184 -1.116 -1.869) 2.478 24.797 ( 2.491 1.626 0.713) 3.059 25.000 ( 2.891 -0.715 1.570) 3.367 25.060 ( -1.827 -1.498 -1.863) 3.008 25.220 ( 2.952 1.122 -1.096) 3.343 25.809 ( 5.128 4.181 -9.026) 11.192 26.038 ( 4.755 -4.648 6.804) 9.514 ======================= Grid point 118 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 3.084 -7.175 -8.485) 11.532 1.561 ( 3.112 2.481 -3.765) 5.479 1.803 ( 7.184 -6.862 4.332) 10.838 2.061 ( 11.684 -0.688 2.613) 11.992 2.167 ( 14.112 0.728 9.757) 17.172 2.266 ( 8.853 -6.601 -1.529) 11.149 2.583 ( 0.808 0.121 0.054) 0.819 2.737 ( 1.219 -5.228 -0.161) 5.370 2.873 ( -4.668 3.326 2.136) 6.116 3.048 ( -6.740 4.605 -0.574) 8.184 3.230 ( 4.481 -1.314 -4.542) 6.514 3.259 ( 2.540 -5.319 1.355) 6.048 3.389 ( 2.708 -6.782 -3.975) 8.315 3.675 ( -4.924 4.266 -4.460) 7.895 3.854 ( -3.240 4.994 2.188) 6.342 3.995 ( -12.102 -5.688 -0.563) 13.384 4.169 ( -0.352 2.456 2.339) 3.409 4.355 ( -0.378 2.513 -11.103) 11.390 4.450 ( -4.905 -0.969 4.347) 6.626 4.478 ( 3.037 -0.104 -1.067) 3.220 4.573 ( 5.047 9.369 0.956) 10.684 4.790 ( 1.910 5.771 -3.470) 7.000 4.856 ( -2.770 11.333 0.318) 11.671 5.065 ( -5.427 9.757 1.434) 11.256 5.137 ( -2.791 1.952 -1.344) 3.662 5.235 ( -1.154 3.247 4.573) 5.726 5.379 ( -6.688 6.843 6.964) 11.835 5.584 ( -0.891 -4.392 0.209) 4.486 5.640 ( -2.529 -6.365 2.092) 7.161 5.698 ( 2.509 -2.901 -5.816) 6.966 5.886 ( -2.341 -9.621 1.020) 9.954 5.975 ( -4.921 -14.765 2.875) 15.827 6.073 ( 10.109 1.942 -1.118) 10.354 6.217 ( 7.296 -2.456 -0.044) 7.699 6.310 ( 2.280 -4.315 4.550) 6.672 6.456 ( 2.688 -4.769 4.503) 7.089 6.533 ( 6.370 -0.850 -5.184) 8.257 6.670 ( 2.552 -4.456 -2.105) 5.549 6.856 ( -4.994 1.153 -3.408) 6.155 7.171 ( -2.530 1.716 1.388) 3.357 7.193 ( -3.018 6.006 3.639) 7.644 7.297 ( -2.219 3.060 -0.904) 3.887 7.790 ( 1.195 1.071 0.006) 1.605 7.946 ( -1.145 -0.221 -4.349) 4.503 8.036 ( -1.809 1.508 -3.367) 4.109 8.160 ( 0.608 -0.170 3.051) 3.115 8.306 ( -3.096 2.317 -0.484) 3.898 8.377 ( -2.189 0.155 3.124) 3.817 9.631 ( -2.676 -0.083 -5.268) 5.909 9.660 ( 2.860 -1.772 3.804) 5.078 10.168 ( -4.137 0.581 -8.407) 9.387 10.413 ( 0.003 2.005 3.889) 4.375 10.630 ( -6.517 -2.519 -8.110) 10.704 10.741 ( -1.355 -2.430 0.425) 2.815 10.886 ( -1.792 1.188 -1.191) 2.458 11.162 ( 3.782 4.054 8.959) 10.535 11.460 ( 3.788 -3.681 3.165) 6.158 11.681 ( 1.400 1.704 9.107) 9.370 12.215 ( 0.254 0.458 -13.584) 13.594 12.446 ( -3.022 2.331 4.049) 5.564 12.536 ( -2.534 -0.002 -1.835) 3.128 12.605 ( 1.674 2.162 3.544) 4.476 15.589 ( 0.839 -1.229 -1.393) 2.039 15.725 ( 2.374 -2.169 1.909) 3.740 20.209 ( -5.238 0.795 -9.132) 10.558 20.357 ( -8.091 3.549 10.551) 13.762 24.032 ( 0.143 1.276 -0.061) 1.285 24.087 ( 1.076 -0.401 -0.164) 1.160 24.281 ( 1.778 -1.315 -0.238) 2.224 24.301 ( 1.030 -2.479 0.505) 2.732 24.516 ( -3.111 0.278 -0.425) 3.152 24.754 ( -0.747 -1.758 0.237) 1.925 24.819 ( 2.396 3.427 2.080) 4.670 25.005 ( -1.328 -1.251 3.898) 4.304 25.111 ( 4.164 -1.687 -6.140) 7.608 25.262 ( 3.126 0.341 -0.694) 3.221 25.783 ( -0.217 6.974 -3.533) 7.821 26.137 ( 0.746 -5.467 3.359) 6.460 ======================= Grid point 119 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -2.172 -1.497 -0.782) 2.752 1.608 ( 3.354 0.047 -4.331) 5.478 2.011 ( 7.782 -6.958 1.783) 10.590 2.177 ( -0.306 0.262 3.061) 3.087 2.322 ( 5.557 0.928 1.888) 5.942 2.451 ( 4.498 -2.205 -3.398) 6.053 2.578 ( 3.196 0.599 9.031) 9.599 2.686 ( -6.222 -2.645 -2.637) 7.257 2.747 ( -2.898 3.991 -1.793) 5.248 3.045 ( 0.920 -1.570 6.649) 6.893 3.200 ( -9.348 -2.192 -1.765) 9.762 3.296 ( -1.479 -8.456 -4.621) 9.749 3.457 ( -5.453 1.216 -3.152) 6.415 3.582 ( -1.278 -6.878 -1.569) 7.169 3.696 ( -9.175 -4.360 -2.165) 10.386 3.926 ( -5.706 -2.371 -0.216) 6.183 4.113 ( -0.695 3.585 -1.517) 3.954 4.321 ( 3.377 11.644 -8.874) 15.024 4.418 ( -0.776 -4.201 3.850) 5.750 4.450 ( -1.954 7.854 -1.963) 8.328 4.556 ( 3.216 1.332 -2.985) 4.586 4.749 ( -0.629 5.159 2.749) 5.879 4.870 ( 8.527 6.312 -1.298) 10.688 4.932 ( 0.498 8.982 -1.104) 9.063 5.084 ( 0.365 4.668 2.733) 5.422 5.232 ( -0.698 2.009 3.794) 4.349 5.303 ( 5.488 2.644 7.557) 9.707 5.587 ( -1.964 -3.044 3.189) 4.827 5.670 ( -1.031 -4.349 1.438) 4.695 5.750 ( -1.973 -5.698 -1.247) 6.158 5.921 ( -1.035 -4.295 -1.669) 4.723 6.058 ( -2.401 -12.406 0.836) 12.664 6.216 ( 9.203 4.241 0.165) 10.135 6.335 ( 5.809 1.725 1.654) 6.282 6.386 ( -2.228 -6.447 0.267) 6.826 6.606 ( 9.779 -3.862 -1.140) 10.576 6.665 ( 5.347 -1.607 0.987) 5.670 6.726 ( -3.179 -0.656 -3.866) 5.048 6.751 ( 1.825 -2.319 -1.219) 3.193 7.057 ( -5.829 7.101 -0.614) 9.207 7.081 ( -3.942 2.427 5.294) 7.033 7.235 ( -1.209 2.765 -1.579) 3.406 7.756 ( -3.099 1.111 -1.357) 3.561 7.943 ( 0.165 -2.258 0.878) 2.428 8.006 ( -0.471 1.028 -4.532) 4.670 8.173 ( 0.279 1.127 1.008) 1.538 8.250 ( -0.955 0.636 1.122) 1.605 8.343 ( -2.156 -0.619 1.558) 2.731 9.586 ( -1.651 0.545 -4.224) 4.568 9.736 ( 3.801 -1.103 2.954) 4.939 10.083 ( -4.724 -0.071 -8.108) 9.384 10.426 ( 3.341 2.031 3.453) 5.216 10.566 ( -3.809 -2.216 -5.555) 7.091 10.744 ( -0.959 -2.133 -0.289) 2.356 10.860 ( -0.364 0.182 0.607) 0.731 11.201 ( 4.620 4.143 7.204) 9.508 11.545 ( 2.308 -2.557 3.375) 4.823 11.673 ( -0.911 1.980 6.668) 7.015 12.202 ( -1.050 -0.429 -12.419) 12.470 12.384 ( -2.596 0.912 1.859) 3.321 12.495 ( -3.131 -1.777 -0.531) 3.639 12.605 ( 0.256 1.789 3.002) 3.504 15.613 ( 1.063 -0.577 -1.284) 1.764 15.780 ( 2.303 -0.635 1.692) 2.927 20.132 ( -3.808 0.584 -3.527) 5.223 20.253 ( -1.840 0.254 3.842) 4.267 24.020 ( -0.193 0.799 -0.106) 0.829 24.095 ( -0.611 -0.474 -0.099) 0.780 24.324 ( 1.905 -0.497 -0.412) 2.011 24.344 ( 1.655 -1.612 0.461) 2.356 24.486 ( -0.111 -0.206 -2.053) 2.066 24.737 ( -3.375 -0.815 4.230) 5.472 24.811 ( 1.232 3.604 1.578) 4.122 25.022 ( 0.826 -1.784 1.318) 2.367 25.178 ( 3.622 0.623 -5.347) 6.488 25.321 ( 3.767 -0.577 -0.601) 3.858 25.681 ( -3.273 6.257 -1.464) 7.211 26.184 ( -1.308 -4.991 2.102) 5.571 ======================= Grid point 120 (46/117) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -3.438 -0.602 1.499) 3.799 1.641 ( 1.050 2.011 -0.811) 2.409 2.056 ( -4.531 3.041 1.022) 5.552 2.146 ( -3.228 -0.271 2.946) 4.378 2.341 ( 1.952 8.470 -2.354) 9.005 2.512 ( -2.764 -9.791 -2.157) 10.400 2.605 ( -3.116 3.362 -4.690) 6.558 2.628 ( -1.852 -7.318 3.453) 8.301 2.765 ( 7.755 4.096 11.336) 14.332 2.956 ( -11.926 1.504 4.078) 12.694 3.161 ( 1.265 -6.644 -2.442) 7.191 3.255 ( -9.475 -3.369 -12.905) 16.360 3.398 ( -1.499 -0.009 0.746) 1.675 3.628 ( -1.175 -14.199 -2.406) 14.449 3.707 ( -2.601 -8.001 0.201) 8.415 3.830 ( -6.965 -2.521 0.584) 7.430 4.104 ( 0.637 -2.386 0.167) 2.475 4.256 ( 4.776 10.908 -6.954) 13.790 4.351 ( -0.793 5.404 -1.267) 5.607 4.505 ( 4.243 -3.643 0.924) 5.669 4.564 ( -0.423 1.824 -2.751) 3.328 4.762 ( 3.265 -1.339 0.368) 3.548 4.812 ( 5.936 15.338 -3.209) 16.757 4.913 ( -1.917 2.066 1.381) 3.138 5.102 ( 6.673 4.642 3.088) 8.695 5.214 ( 2.125 4.342 1.390) 5.030 5.420 ( 8.119 1.684 10.302) 13.225 5.599 ( -1.028 -3.849 2.065) 4.487 5.690 ( -2.266 -1.774 3.132) 4.254 5.731 ( -4.948 -6.255 0.985) 8.036 5.941 ( -0.173 -0.542 -5.691) 5.719 6.110 ( -3.147 -6.403 1.624) 7.317 6.275 ( 5.270 6.989 -0.716) 8.783 6.352 ( -4.660 0.084 3.191) 5.649 6.364 ( -0.427 3.452 -1.292) 3.710 6.564 ( -5.639 -2.151 -0.145) 6.037 6.750 ( -0.711 -0.557 -4.424) 4.515 6.808 ( 2.714 0.857 0.079) 2.847 6.893 ( 7.801 -3.211 -0.126) 8.437 6.966 ( 5.429 6.089 2.475) 8.525 7.068 ( 4.343 -4.704 1.832) 6.659 7.188 ( -1.592 2.014 -2.270) 3.427 7.710 ( -1.647 -1.482 0.971) 2.419 7.983 ( -0.725 0.598 -4.088) 4.195 7.994 ( 2.047 -3.224 1.508) 4.106 8.137 ( -1.342 2.177 -2.484) 3.565 8.257 ( -0.768 -1.861 0.545) 2.086 8.337 ( 0.824 -0.992 2.057) 2.428 9.560 ( -0.010 1.342 -2.227) 2.600 9.803 ( 3.117 0.180 0.067) 3.123 10.003 ( -4.394 -0.545 -4.650) 6.421 10.479 ( 4.015 1.178 3.169) 5.249 10.530 ( -1.041 -0.025 -4.199) 4.326 10.756 ( 0.305 -1.764 -0.282) 1.813 10.873 ( 1.410 -1.097 1.426) 2.286 11.237 ( 3.823 4.372 3.090) 6.579 11.596 ( 1.570 -0.662 4.084) 4.425 11.625 ( -2.860 2.091 6.948) 7.798 12.157 ( -3.960 -1.173 -11.284) 12.016 12.348 ( -2.495 -1.617 0.945) 3.120 12.468 ( -3.228 -3.480 0.351) 4.760 12.587 ( -1.053 0.537 1.769) 2.127 15.631 ( 1.104 0.520 -1.048) 1.609 15.818 ( 2.538 1.137 1.266) 3.055 20.050 ( -4.041 1.683 -0.387) 4.394 20.304 ( 4.068 -5.316 0.803) 6.742 24.011 ( -0.315 0.224 0.039) 0.389 24.079 ( -1.664 -0.484 -0.280) 1.755 24.345 ( 1.095 1.104 -0.598) 1.666 24.380 ( 1.499 0.194 0.594) 1.624 24.518 ( 3.095 -1.494 -3.199) 4.695 24.675 ( -3.843 0.788 5.958) 7.134 24.801 ( 0.760 2.130 -0.096) 2.263 25.045 ( 0.158 -0.042 0.906) 0.920 25.216 ( 2.424 1.084 -2.960) 3.976 25.372 ( 2.910 3.606 -1.303) 4.813 25.576 ( -3.698 0.890 -0.988) 3.930 26.202 ( -2.252 -4.520 1.577) 5.291 ======================= Grid point 121 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -4.509 1.645 1.789) 5.123 1.576 ( -3.517 6.112 4.534) 8.384 1.900 ( -7.646 9.442 5.305) 13.257 2.015 ( -9.582 2.461 0.971) 9.941 2.234 ( -1.610 12.208 1.777) 12.441 2.461 ( -6.346 5.807 -8.477) 12.077 2.622 ( -10.892 -6.587 2.656) 13.003 2.685 ( 0.220 -6.513 -6.489) 9.197 2.692 ( -3.237 -4.611 1.726) 5.893 2.834 ( -1.560 2.641 6.543) 7.227 3.130 ( -4.129 -0.860 -7.023) 8.192 3.189 ( -7.025 2.364 -0.464) 7.427 3.413 ( -4.669 0.109 3.749) 5.989 3.619 ( 2.522 -6.307 -5.643) 8.830 3.759 ( -1.671 -1.415 1.077) 2.441 3.882 ( -1.135 -18.961 0.833) 19.014 4.184 ( 2.365 -8.057 2.004) 8.632 4.287 ( 5.741 4.581 -1.500) 7.497 4.320 ( 1.593 -0.173 -8.504) 8.654 4.479 ( 6.004 12.091 -3.849) 14.038 4.636 ( -0.525 -8.215 -0.907) 8.281 4.845 ( 1.375 -0.391 3.172) 3.479 4.859 ( 10.844 5.905 0.054) 12.348 4.886 ( 6.463 -1.883 -1.422) 6.880 5.182 ( 6.701 2.361 -0.093) 7.105 5.224 ( 3.980 3.982 2.381) 6.113 5.530 ( 4.592 0.365 14.854) 15.552 5.581 ( -10.850 -2.883 2.570) 11.517 5.634 ( 1.807 -2.425 -5.073) 5.906 5.767 ( -0.361 -3.396 2.643) 4.319 5.891 ( -2.850 1.043 -4.887) 5.753 6.094 ( -3.890 -1.596 -0.060) 4.205 6.218 ( -3.655 3.124 0.875) 4.887 6.307 ( 2.969 3.514 -2.283) 5.136 6.343 ( 4.780 8.311 4.235) 10.482 6.509 ( -3.183 -0.048 -0.849) 3.295 6.694 ( -4.159 -0.451 -3.731) 5.605 6.837 ( 0.520 1.411 -0.257) 1.525 6.918 ( -0.921 0.693 5.386) 5.508 7.091 ( 6.278 -2.182 0.649) 6.678 7.138 ( 0.013 4.171 -3.264) 5.297 7.250 ( 7.921 -3.713 -0.976) 8.802 7.730 ( 0.676 -2.319 1.641) 2.920 7.960 ( -0.984 -0.162 -4.477) 4.587 8.057 ( 1.065 -0.940 0.319) 1.456 8.122 ( 1.052 -2.551 -1.649) 3.215 8.257 ( -0.479 -1.842 -1.186) 2.243 8.379 ( 1.921 -1.194 1.933) 2.976 9.554 ( 1.296 1.993 0.188) 2.385 9.822 ( -0.275 1.160 -4.360) 4.520 9.949 ( -2.005 -0.264 1.207) 2.355 10.497 ( -0.871 -0.733 -1.959) 2.266 10.557 ( 4.813 2.784 2.165) 5.967 10.794 ( 2.877 -0.910 1.162) 3.233 10.937 ( 4.734 -1.406 0.642) 4.980 11.234 ( 1.167 5.313 -2.092) 5.828 11.537 ( -4.729 2.327 2.435) 5.805 11.641 ( 2.640 1.070 12.162) 12.491 12.092 ( -4.699 -3.361 -11.633) 12.989 12.314 ( -5.838 -4.294 2.169) 7.565 12.456 ( -2.996 -4.525 -0.055) 5.427 12.568 ( -1.914 -1.777 0.645) 2.690 15.638 ( 1.177 1.669 -0.637) 2.140 15.845 ( 3.060 3.001 0.343) 4.300 19.974 ( -2.951 1.591 0.942) 3.482 20.480 ( 7.145 -10.504 0.890) 12.735 24.004 ( -0.530 -0.204 0.314) 0.649 24.052 ( -1.942 -0.264 -0.571) 2.042 24.343 ( 0.921 2.296 -0.994) 2.666 24.388 ( 0.639 2.234 1.346) 2.685 24.600 ( 4.236 -2.111 -2.658) 5.428 24.625 ( -0.808 0.798 3.435) 3.618 24.791 ( 0.305 1.706 -0.312) 1.761 25.027 ( -1.539 1.142 0.986) 2.155 25.213 ( -1.525 2.718 -1.017) 3.278 25.342 ( 1.640 6.365 -0.583) 6.599 25.552 ( -1.930 -3.340 -1.788) 4.252 26.205 ( -2.530 -4.296 0.859) 5.059 ======================= Grid point 122 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -7.330 9.141 8.344) 14.385 1.404 ( -9.655 13.713 5.342) 17.601 1.674 ( -7.262 5.815 11.309) 14.644 1.832 ( -6.517 6.212 -2.956) 9.476 2.042 ( -6.031 13.388 -1.017) 14.719 2.239 ( -9.272 11.461 0.507) 14.751 2.383 ( -16.296 2.289 0.016) 16.456 2.478 ( -10.433 8.642 -3.795) 14.069 2.721 ( -6.836 5.514 5.291) 10.254 2.930 ( -1.134 0.507 -1.643) 2.060 3.062 ( -6.052 1.016 -4.168) 7.418 3.085 ( 4.895 -7.944 -3.067) 9.822 3.291 ( -1.209 -0.027 -4.051) 4.228 3.558 ( -11.493 1.833 -0.186) 11.639 3.886 ( 0.272 -7.274 -3.628) 8.133 4.064 ( 6.520 -14.588 2.516) 16.176 4.226 ( -1.003 -3.591 3.551) 5.149 4.388 ( 8.450 0.618 -1.085) 8.542 4.447 ( 5.986 -12.259 -5.543) 14.726 4.550 ( 9.411 3.219 -4.822) 11.054 4.649 ( -1.620 -3.176 -6.863) 7.734 4.904 ( 2.650 -7.168 8.022) 11.079 5.015 ( 10.677 1.054 -0.614) 10.747 5.126 ( 14.711 -2.525 -2.558) 15.144 5.253 ( 4.283 2.668 0.300) 5.055 5.282 ( 2.916 -2.733 1.219) 4.178 5.426 ( -10.538 -4.183 6.795) 13.218 5.618 ( 2.855 -7.054 2.904) 8.145 5.691 ( 3.650 3.135 1.380) 5.005 5.753 ( -2.353 -4.464 -3.324) 6.043 5.890 ( 2.099 1.130 1.374) 2.751 6.018 ( -4.716 -0.582 0.559) 4.784 6.175 ( -0.167 2.183 -1.700) 2.771 6.310 ( 3.518 7.925 0.387) 8.679 6.382 ( 8.779 6.328 3.299) 11.314 6.462 ( 0.038 2.942 -2.767) 4.039 6.619 ( -3.379 1.918 -3.685) 5.355 6.788 ( -0.333 6.989 4.585) 8.365 6.886 ( -8.695 -7.773 1.995) 11.832 7.104 ( 2.317 6.590 -4.313) 8.210 7.147 ( -1.419 0.726 1.618) 2.271 7.379 ( 4.121 -2.654 -2.013) 5.299 7.736 ( -2.135 0.586 -0.571) 2.287 7.955 ( -0.291 -1.896 -2.564) 3.202 8.066 ( 0.529 -0.411 -4.020) 4.076 8.172 ( -0.689 -4.241 -1.081) 4.431 8.302 ( 3.785 -1.700 0.193) 4.154 8.414 ( 0.704 -1.020 0.678) 1.413 9.560 ( 1.522 2.269 2.485) 3.694 9.781 ( -0.967 2.133 -2.375) 3.335 9.944 ( 0.478 -0.749 5.288) 5.362 10.494 ( 0.495 0.227 -2.315) 2.379 10.603 ( 2.955 1.535 3.760) 5.022 10.881 ( 7.590 1.278 2.890) 8.222 11.051 ( 7.130 -0.527 -0.522) 7.168 11.174 ( -0.545 6.221 -3.795) 7.307 11.424 ( -5.968 2.606 1.831) 6.765 11.668 ( 0.717 2.747 11.957) 12.289 12.073 ( -1.789 -6.713 -9.600) 11.850 12.232 ( -10.892 -7.130 3.307) 13.431 12.455 ( -2.791 -5.238 -0.287) 5.942 12.562 ( -2.603 -4.627 -0.281) 5.317 15.638 ( 1.378 2.536 -0.023) 2.886 15.862 ( 3.707 5.035 -1.969) 6.555 19.932 ( -0.183 1.063 5.560) 5.664 20.735 ( 7.006 -15.665 1.173) 17.200 23.996 ( -0.863 -0.285 0.532) 1.053 24.022 ( -1.610 0.010 -0.703) 1.757 24.334 ( 1.352 3.061 -1.074) 3.515 24.361 ( -0.268 3.754 1.952) 4.239 24.637 ( 3.111 -0.100 0.223) 3.121 24.699 ( 4.517 -1.783 -1.540) 5.094 24.779 ( 0.472 1.650 -0.047) 1.717 24.983 ( -2.172 0.751 0.954) 2.488 25.117 ( -4.725 3.772 -0.829) 6.103 25.326 ( 2.037 4.730 0.367) 5.163 25.527 ( -4.110 -0.992 -1.384) 4.449 26.202 ( -3.076 -4.161 -1.721) 5.453 ======================= Grid point 123 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -2.201 12.525 19.927) 23.639 1.022 ( -12.685 19.268 10.274) 25.253 1.456 ( -10.816 11.241 7.181) 17.173 1.673 ( -6.844 13.823 -3.477) 15.811 1.765 ( -11.356 21.792 -1.237) 24.605 1.957 ( -0.525 11.074 8.710) 14.098 2.052 ( -9.866 3.563 0.542) 10.503 2.362 ( 0.118 4.745 1.005) 4.852 2.554 ( -4.991 9.771 -2.965) 11.365 2.721 ( -10.871 17.138 1.081) 20.324 2.906 ( -5.606 0.345 -1.528) 5.820 3.110 ( -3.910 3.868 -5.069) 7.479 3.391 ( -4.578 -9.623 -6.846) 12.666 3.549 ( 10.065 -14.524 -12.821) 21.832 3.912 ( -0.335 -3.173 3.652) 4.849 4.189 ( -1.976 -5.230 8.474) 10.152 4.316 ( -1.568 -7.931 0.331) 8.092 4.516 ( 5.176 -4.927 -3.549) 7.979 4.656 ( 4.227 -3.495 -2.204) 5.911 4.691 ( 9.426 -1.966 -8.463) 12.819 4.750 ( 6.500 -14.821 -2.315) 16.348 5.021 ( 1.770 -5.915 4.847) 7.850 5.142 ( 1.830 -1.652 -1.199) 2.742 5.253 ( 0.439 0.763 -5.959) 6.023 5.312 ( 2.932 -1.225 5.975) 6.768 5.354 ( -0.319 -6.807 0.035) 6.814 5.449 ( 7.053 -8.871 1.739) 11.466 5.642 ( -0.999 4.936 1.405) 5.229 5.725 ( 0.350 -0.858 -0.694) 1.158 5.875 ( 5.545 -3.814 1.720) 6.946 5.896 ( -0.646 -0.300 -0.703) 1.001 6.017 ( 7.199 -5.121 4.938) 10.121 6.134 ( -2.609 0.166 -3.196) 4.129 6.277 ( 0.106 7.829 -1.104) 7.907 6.419 ( 1.371 1.039 0.073) 1.721 6.465 ( 0.153 5.871 -0.190) 5.876 6.599 ( 9.379 9.351 -3.423) 13.679 6.743 ( 4.288 6.260 2.915) 8.128 6.791 ( -8.567 -5.200 1.975) 10.215 6.997 ( -10.010 4.982 0.659) 11.201 7.080 ( 0.828 8.313 -6.782) 10.760 7.390 ( -9.903 -2.407 -7.406) 12.598 7.659 ( -1.857 3.485 2.578) 4.716 7.980 ( 0.609 -2.507 -0.665) 2.664 8.077 ( 0.239 -0.873 -5.957) 6.026 8.188 ( -1.367 -3.500 -2.556) 4.545 8.372 ( 2.290 0.051 -0.929) 2.472 8.427 ( -0.468 -1.541 0.568) 1.707 9.555 ( 0.247 2.114 3.868) 4.415 9.785 ( 3.740 1.891 0.085) 4.192 10.023 ( 7.094 -4.950 16.599) 18.718 10.505 ( 1.896 1.161 -4.074) 4.641 10.650 ( 4.398 0.104 7.221) 8.456 11.021 ( 9.636 3.334 2.976) 10.622 11.118 ( 5.008 5.459 -0.770) 7.448 11.166 ( 5.207 0.516 -0.005) 5.232 11.299 ( -5.390 2.836 1.129) 6.194 11.619 ( -4.173 2.388 6.724) 8.267 12.075 ( -16.517 -12.719 8.596) 22.549 12.166 ( 1.352 -6.887 -6.046) 9.263 12.466 ( -1.845 -4.667 -0.060) 5.018 12.572 ( -3.047 -7.114 -1.439) 7.872 15.634 ( 1.218 2.988 0.609) 3.284 15.861 ( 3.585 7.537 -7.333) 11.110 20.010 ( 10.118 -3.514 18.709) 21.558 20.983 ( 0.845 -18.335 0.949) 18.379 23.982 ( -0.949 -0.073 0.455) 1.055 23.999 ( -0.806 0.168 -0.504) 0.965 24.315 ( -0.508 3.479 1.564) 3.848 24.333 ( 2.643 4.180 -1.832) 5.274 24.712 ( 3.921 -0.974 -1.222) 4.221 24.762 ( 0.207 -0.928 0.601) 1.125 24.795 ( 4.269 0.728 0.405) 4.349 24.966 ( 1.646 0.795 1.390) 2.297 25.005 ( -5.130 0.684 -1.541) 5.399 25.295 ( -1.354 3.908 -1.317) 4.340 25.437 ( -3.993 3.255 2.051) 5.545 26.149 ( -8.017 -1.467 -9.364) 12.414 ======================= Grid point 124 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 6.164 18.406 16.940) 25.763 0.836 ( 4.056 19.738 18.552) 27.391 1.167 ( -2.534 21.174 30.773) 37.439 1.299 ( 1.116 11.085 -9.321) 14.526 1.646 ( 9.289 12.574 -16.284) 22.574 1.803 ( -7.683 2.394 9.712) 12.613 2.025 ( 4.647 8.394 3.156) 10.100 2.143 ( -15.148 17.078 3.375) 23.076 2.419 ( 7.168 6.435 7.306) 12.090 2.571 ( 2.562 3.711 -2.371) 5.095 2.843 ( -1.216 -0.359 -4.253) 4.438 2.981 ( -2.571 6.073 -15.811) 17.131 3.469 ( -1.398 -12.891 -4.278) 13.654 3.804 ( 7.469 -8.149 -14.650) 18.352 3.969 ( 2.462 -3.200 8.149) 9.095 4.175 ( -5.534 -2.525 7.434) 9.606 4.315 ( -3.990 -5.525 -1.679) 7.019 4.595 ( -2.082 -4.545 -0.393) 5.015 4.725 ( -4.783 -2.260 0.070) 5.291 4.805 ( 2.014 -10.583 2.178) 10.991 5.011 ( 6.788 -8.597 -5.690) 12.344 5.087 ( 3.755 -1.335 0.436) 4.009 5.169 ( -3.507 -6.998 -3.268) 8.482 5.235 ( -5.115 1.405 -12.498) 13.577 5.341 ( -4.239 -6.332 1.514) 7.769 5.436 ( 7.368 -5.529 -1.251) 9.297 5.550 ( 1.111 -1.321 2.879) 3.357 5.651 ( 1.143 2.075 6.574) 6.987 5.761 ( 3.209 2.800 2.157) 4.774 5.894 ( -1.284 0.140 -3.501) 3.731 5.911 ( 4.113 -1.448 3.253) 5.440 6.099 ( -0.576 -1.695 -2.390) 2.986 6.124 ( -5.899 6.468 -0.935) 8.804 6.339 ( 1.187 -1.271 0.505) 1.810 6.347 ( 3.962 2.145 -2.524) 5.164 6.448 ( 2.985 4.279 0.280) 5.225 6.584 ( -10.716 -2.022 3.073) 11.330 6.712 ( -2.707 3.180 0.553) 4.212 6.726 ( 4.648 4.718 -0.231) 6.627 6.824 ( -2.388 12.982 -11.254) 17.346 7.029 ( -7.823 9.657 -0.146) 12.429 7.059 ( 0.073 8.695 -1.204) 8.778 7.646 ( 0.222 0.896 6.484) 6.550 8.022 ( 1.793 -1.968 1.106) 2.882 8.077 ( -0.457 -0.542 -7.725) 7.757 8.195 ( -1.262 -2.786 -3.608) 4.730 8.386 ( 0.705 -0.011 0.789) 1.058 8.427 ( -1.333 -1.389 0.074) 1.926 9.545 ( 0.328 1.421 5.344) 5.539 9.814 ( 0.766 0.442 -5.127) 5.203 10.269 ( 4.554 -8.669 11.060) 14.772 10.533 ( 3.829 1.892 -5.285) 6.795 10.795 ( 7.159 -3.243 7.080) 10.578 11.037 ( 0.828 3.448 -2.046) 4.094 11.196 ( 0.799 1.219 -0.092) 1.460 11.220 ( -0.813 1.820 -0.412) 2.035 11.475 ( 33.828 -5.016 7.714) 35.057 11.497 ( -8.710 0.472 1.623) 8.873 11.914 ( -21.421 -25.780 25.027) 41.831 12.284 ( 4.226 -5.702 -1.204) 7.199 12.483 ( -0.305 -2.840 0.501) 2.900 12.599 ( -2.131 -7.329 -2.555) 8.049 15.616 ( 0.046 3.032 0.531) 3.078 15.787 ( -1.135 12.006 -12.444) 17.329 20.541 ( 30.698 -34.142 33.897) 57.070 21.072 ( -10.260 -14.250 -2.891) 17.796 23.970 ( -0.234 0.141 0.476) 0.549 23.993 ( 0.156 0.021 -0.362) 0.395 24.275 ( -0.566 2.648 0.455) 2.745 24.342 ( 3.447 5.035 -3.671) 7.122 24.733 ( -4.717 -1.582 2.310) 5.485 24.761 ( 1.247 -0.799 0.146) 1.488 24.873 ( 2.547 -0.649 0.517) 2.678 24.910 ( -2.824 1.944 -0.869) 3.537 25.049 ( 0.880 -2.946 3.059) 4.337 25.182 ( -5.778 1.279 -2.999) 6.634 25.418 ( 9.547 6.522 5.677) 12.881 25.856 ( -17.098 16.817 -19.645) 31.001 ======================= Grid point 127 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 8.147 -0.000 -11.408) 14.019 1.616 ( 4.242 -0.000 -1.788) 4.603 1.716 ( 3.147 -0.000 4.339) 5.360 2.050 ( 11.432 -0.000 -6.596) 13.198 2.172 ( 17.875 -0.000 12.640) 21.893 2.201 ( 10.472 -0.000 8.399) 13.424 2.600 ( 2.083 -0.000 -1.513) 2.575 2.641 ( 4.403 -0.000 -0.749) 4.466 2.991 ( -13.116 0.000 1.185) 13.169 3.014 ( -2.562 0.000 -0.487) 2.608 3.217 ( 4.168 -0.000 -2.582) 4.903 3.236 ( 4.405 -0.000 -5.289) 6.883 3.287 ( -3.246 0.000 -0.186) 3.252 3.744 ( -2.333 0.000 -4.622) 5.178 3.912 ( -12.204 0.000 3.316) 12.646 3.928 ( -7.215 0.000 -3.256) 7.915 4.172 ( 3.314 -0.000 4.732) 5.777 4.344 ( -4.851 0.000 -8.781) 10.032 4.447 ( -3.300 0.000 3.022) 4.474 4.513 ( 5.281 -0.000 2.088) 5.679 4.652 ( 6.301 -0.000 -0.315) 6.309 4.853 ( -5.727 0.000 -6.223) 8.457 5.070 ( -4.115 0.000 2.159) 4.647 5.149 ( 1.258 -0.000 1.143) 1.699 5.158 ( -3.598 0.000 -2.785) 4.550 5.319 ( -5.248 0.000 9.406) 10.771 5.424 ( -0.927 0.000 0.207) 0.949 5.577 ( -1.714 0.000 -3.126) 3.565 5.604 ( -8.045 0.000 2.844) 8.533 5.656 ( 2.494 -0.000 -7.359) 7.770 5.724 ( -6.432 0.000 5.240) 8.297 5.755 ( 1.875 -0.000 1.735) 2.554 6.067 ( 7.702 -0.000 1.419) 7.831 6.181 ( 8.748 -0.000 -0.860) 8.790 6.296 ( 5.477 -0.000 3.662) 6.588 6.411 ( 6.110 -0.000 4.809) 7.775 6.507 ( 3.695 -0.000 -2.922) 4.711 6.630 ( 4.328 -0.000 -2.824) 5.168 6.869 ( -5.058 0.000 -4.363) 6.680 7.186 ( -3.638 0.000 2.589) 4.465 7.258 ( -2.492 0.000 3.616) 4.392 7.330 ( -1.543 0.000 -1.139) 1.918 7.804 ( 2.186 -0.000 1.363) 2.576 7.944 ( -1.798 0.000 -7.085) 7.309 8.052 ( -2.776 0.000 -3.205) 4.240 8.155 ( 0.338 -0.000 4.216) 4.230 8.329 ( -3.313 0.000 -2.474) 4.135 8.379 ( -3.078 0.000 5.179) 6.025 9.632 ( -2.752 0.000 -5.621) 6.259 9.639 ( 3.718 -0.000 4.191) 5.602 10.175 ( -4.394 0.000 -8.695) 9.742 10.437 ( 0.130 -0.000 4.113) 4.115 10.602 ( -6.676 0.000 -8.249) 10.612 10.714 ( -1.117 0.000 0.367) 1.176 10.899 ( -2.015 0.000 -1.588) 2.565 11.214 ( 3.596 -0.000 9.191) 9.869 11.412 ( 4.442 -0.000 2.462) 5.079 11.697 ( 0.883 -0.000 10.083) 10.121 12.221 ( -0.402 0.000 -13.904) 13.909 12.473 ( -4.167 0.000 4.389) 6.052 12.537 ( -3.217 0.000 -2.743) 4.228 12.628 ( 1.036 -0.000 4.162) 4.289 15.576 ( 1.306 -0.000 -1.205) 1.777 15.700 ( 3.576 -0.000 1.857) 4.029 20.218 ( -6.340 0.000 -10.112) 11.935 20.395 ( -9.837 0.000 11.804) 15.366 24.049 ( -0.242 0.000 -0.601) 0.648 24.081 ( 1.177 -0.000 0.448) 1.260 24.263 ( 1.497 -0.000 0.035) 1.498 24.277 ( 2.388 -0.000 0.194) 2.396 24.518 ( -3.318 0.000 -0.180) 3.323 24.736 ( -0.369 0.000 0.055) 0.373 24.862 ( 3.918 -0.000 1.384) 4.155 24.985 ( -3.570 0.000 5.118) 6.240 25.093 ( 6.067 -0.000 -6.677) 9.021 25.268 ( 2.394 -0.000 -1.276) 2.713 25.894 ( 1.985 -0.000 -7.680) 7.932 26.041 ( -1.072 0.000 7.738) 7.812 ======================= Grid point 128 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 2.847 -0.526 -1.804) 3.411 1.633 ( 1.353 1.822 -4.652) 5.176 1.858 ( 9.095 -6.162 3.839) 11.637 2.164 ( 0.641 -0.842 -0.300) 1.100 2.341 ( 5.011 0.879 4.218) 6.608 2.459 ( 12.758 0.787 7.890) 15.021 2.582 ( -0.698 1.160 -1.118) 1.756 2.658 ( -3.619 -1.334 0.041) 3.857 2.786 ( -7.589 1.042 -6.906) 10.314 2.997 ( 1.966 -1.728 -1.903) 3.236 3.140 ( -8.760 -3.878 2.672) 9.946 3.148 ( -8.233 -4.355 4.634) 10.403 3.440 ( 3.568 -1.212 -11.452) 12.056 3.511 ( -13.438 -1.330 7.001) 15.210 3.723 ( -9.340 6.199 -5.231) 12.371 3.855 ( -7.935 -5.558 -4.077) 10.511 4.199 ( -0.113 4.788 -1.843) 5.132 4.316 ( -0.566 -6.021 1.876) 6.331 4.439 ( 1.034 2.824 -7.848) 8.405 4.502 ( -2.701 0.862 0.960) 2.993 4.686 ( 0.812 6.640 0.871) 6.746 4.831 ( 1.523 -4.184 -0.877) 4.538 4.985 ( 4.052 12.919 1.397) 13.612 5.165 ( 1.133 3.612 3.826) 5.382 5.182 ( 6.734 5.879 -2.088) 9.180 5.299 ( 4.012 5.188 8.430) 10.681 5.411 ( 0.083 9.238 3.288) 9.805 5.474 ( -1.087 -9.311 0.152) 9.375 5.577 ( -2.440 -0.743 -1.586) 3.004 5.666 ( -2.431 -3.253 2.595) 4.820 5.745 ( -2.064 -14.725 2.990) 15.167 5.861 ( 5.084 -3.954 -4.479) 7.844 6.188 ( 4.308 -3.960 0.503) 5.873 6.343 ( 9.631 0.101 -1.399) 9.733 6.411 ( 8.972 6.142 1.941) 11.045 6.551 ( 10.089 -1.373 1.087) 10.240 6.596 ( 4.934 -5.955 0.018) 7.733 6.657 ( -5.159 -1.597 -1.602) 5.633 6.782 ( -0.073 1.561 -3.748) 4.061 7.094 ( -7.048 0.599 5.391) 8.893 7.187 ( -3.880 3.536 0.705) 5.297 7.276 ( -3.497 0.958 -1.773) 4.036 7.803 ( -1.869 3.213 -0.497) 3.750 7.890 ( -3.168 -3.020 -1.827) 4.743 8.020 ( -1.058 0.331 -3.595) 3.762 8.173 ( 1.014 -0.420 4.060) 4.205 8.270 ( -2.705 0.846 -2.995) 4.123 8.333 ( -2.741 -0.293 3.618) 4.548 9.594 ( -1.141 0.238 -4.158) 4.318 9.720 ( 5.083 -0.445 3.182) 6.014 10.081 ( -5.614 -0.064 -9.294) 10.858 10.464 ( 3.391 1.482 2.092) 4.250 10.528 ( -2.695 -1.353 -2.996) 4.250 10.705 ( -0.719 -1.291 0.458) 1.547 10.871 ( -0.822 0.537 -0.658) 1.182 11.277 ( 4.699 2.818 7.992) 9.690 11.490 ( 3.061 -2.271 1.371) 4.050 11.696 ( -1.528 0.462 8.309) 8.461 12.200 ( -1.105 0.042 -12.579) 12.628 12.401 ( -4.135 0.599 2.282) 4.761 12.471 ( -4.480 -0.644 -2.389) 5.118 12.631 ( -0.651 0.730 3.999) 4.116 15.604 ( 1.883 -0.253 -1.013) 2.153 15.766 ( 3.572 -0.511 1.456) 3.891 20.136 ( -2.979 -0.023 -5.069) 5.879 20.265 ( -6.020 0.527 5.451) 8.139 24.036 ( -0.650 0.578 -0.644) 1.082 24.086 ( -0.721 -0.308 0.461) 0.909 24.308 ( 3.136 -0.835 0.048) 3.246 24.322 ( 2.530 -0.451 0.119) 2.573 24.484 ( -0.628 -0.027 -1.598) 1.717 24.720 ( -2.068 -0.489 2.595) 3.354 24.893 ( 0.703 4.254 2.602) 5.036 24.970 ( 0.900 -3.406 2.073) 4.088 25.194 ( 6.205 0.668 -7.276) 9.585 25.307 ( 2.446 -0.642 -0.232) 2.539 25.839 ( -2.038 8.647 -1.832) 9.071 26.051 ( -3.215 -7.772 3.212) 9.003 ======================= Grid point 129 (53/117) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.499 2.597 4.512) 5.230 1.654 ( 2.434 -0.965 -2.421) 3.566 2.067 ( 1.469 -2.788 2.655) 4.121 2.123 ( 0.685 -2.118 -0.586) 2.302 2.354 ( -5.005 -2.127 -1.510) 5.644 2.459 ( -5.673 -0.593 3.327) 6.604 2.537 ( -5.026 0.647 -0.007) 5.068 2.667 ( -0.698 3.415 -3.323) 4.815 2.791 ( 8.290 -1.089 9.066) 12.333 2.929 ( -9.853 -6.954 0.214) 12.062 3.025 ( -2.416 0.246 -0.892) 2.587 3.247 ( 2.381 -3.076 -3.338) 5.126 3.366 ( -5.984 -7.442 1.658) 9.692 3.436 ( -1.855 2.213 -9.660) 10.082 3.563 ( -5.777 -4.228 -0.415) 7.170 3.760 ( -7.570 -5.312 -3.045) 9.737 4.131 ( -1.693 3.911 -0.039) 4.262 4.351 ( -3.365 -4.713 0.388) 5.804 4.396 ( -1.525 1.659 -7.072) 7.422 4.479 ( 3.748 4.064 -3.593) 6.593 4.654 ( 1.902 2.585 -0.242) 3.218 4.860 ( 3.336 6.699 2.283) 7.825 4.947 ( 1.506 6.994 0.813) 7.200 5.151 ( 3.775 12.449 0.889) 13.039 5.193 ( 6.152 7.552 3.205) 10.255 5.301 ( 3.095 5.246 -0.549) 6.116 5.451 ( 4.303 -0.263 14.612) 15.235 5.520 ( 0.217 -3.002 -3.967) 4.980 5.589 ( -2.350 -6.855 2.535) 7.677 5.651 ( -1.188 -2.455 3.266) 4.255 5.879 ( 1.436 -10.593 0.766) 10.717 5.951 ( 0.944 -3.993 -4.258) 5.913 6.266 ( -1.160 -4.537 -1.780) 5.010 6.399 ( -0.396 4.075 -4.432) 6.034 6.480 ( 2.536 5.725 5.040) 8.038 6.535 ( -0.981 0.329 -1.226) 1.604 6.718 ( 1.160 -2.498 -1.995) 3.401 6.798 ( 10.873 -4.972 0.889) 11.988 6.836 ( 5.168 1.044 -0.359) 5.285 6.986 ( -3.139 -2.425 3.767) 5.471 7.090 ( -0.522 5.137 1.200) 5.301 7.223 ( -1.658 0.124 -2.687) 3.160 7.714 ( -3.013 2.219 0.353) 3.758 7.914 ( 0.375 -4.706 1.310) 4.899 7.995 ( -1.091 0.439 -3.825) 4.002 8.177 ( -1.438 1.257 0.159) 1.916 8.230 ( -1.101 -0.347 -1.973) 2.286 8.316 ( 0.338 -0.946 2.099) 2.327 9.582 ( 0.511 0.773 -2.284) 2.465 9.809 ( 4.698 0.351 0.669) 4.758 9.988 ( -4.899 -0.797 -5.348) 7.296 10.491 ( 0.189 0.388 1.943) 1.991 10.542 ( 4.019 0.620 -3.160) 5.150 10.721 ( 1.117 -1.545 2.274) 2.967 10.867 ( 1.144 0.285 -0.004) 1.180 11.326 ( 4.606 4.352 4.290) 7.653 11.559 ( 2.096 -2.783 1.832) 3.936 11.653 ( -3.629 0.763 7.144) 8.049 12.149 ( -4.008 0.187 -9.855) 10.641 12.331 ( -4.200 -0.236 0.156) 4.209 12.406 ( -4.720 -2.555 -1.623) 5.608 12.601 ( -2.357 0.637 2.998) 3.867 15.638 ( 2.031 0.189 -0.669) 2.147 15.828 ( 3.461 0.046 0.874) 3.570 20.084 ( -2.891 1.622 -0.596) 3.368 20.217 ( -0.911 -3.373 0.790) 3.582 24.019 ( -0.666 0.468 -0.414) 0.913 24.070 ( -1.526 -0.424 0.172) 1.593 24.359 ( 2.267 0.349 -0.485) 2.344 24.374 ( 2.879 -0.576 0.600) 2.997 24.498 ( 2.372 -0.548 -2.877) 3.769 24.681 ( -3.114 0.024 4.813) 5.732 24.857 ( -0.078 3.071 1.354) 3.357 25.027 ( 1.576 -1.537 0.465) 2.250 25.253 ( 3.583 2.478 -4.173) 6.033 25.379 ( 4.190 -2.161 -1.827) 5.056 25.689 ( -4.552 9.313 0.766) 10.394 26.075 ( -3.626 -8.117 1.392) 8.998 ======================= Grid point 130 (54/117) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.311 3.864 6.290) 7.388 1.681 ( -0.503 3.498 4.524) 5.741 1.993 ( -5.147 1.731 0.623) 5.466 2.141 ( -3.976 8.738 2.720) 9.978 2.268 ( -8.155 -17.518 0.805) 19.339 2.390 ( -6.100 0.773 -3.418) 7.035 2.490 ( -2.660 -8.606 3.074) 9.517 2.627 ( 0.532 6.268 -4.832) 7.932 2.737 ( -14.518 2.032 1.847) 14.775 2.892 ( 3.334 2.580 3.160) 5.269 3.073 ( -0.929 -3.897 -5.261) 6.613 3.235 ( 5.650 2.677 -7.389) 9.680 3.368 ( -0.089 -0.327 1.645) 1.679 3.509 ( 2.770 -11.163 -4.155) 12.228 3.561 ( -3.466 -8.069 1.917) 8.989 3.741 ( -1.194 -3.239 0.185) 3.457 4.078 ( -2.125 -1.388 4.494) 5.162 4.323 ( -1.354 -0.087 -5.179) 5.354 4.374 ( 2.239 0.840 -7.358) 7.737 4.530 ( 5.123 1.772 -0.413) 5.436 4.695 ( 3.123 2.064 -5.619) 6.752 4.850 ( 5.989 6.956 1.400) 9.285 4.892 ( -2.560 1.847 1.327) 3.424 5.079 ( 6.342 15.266 -1.008) 16.562 5.245 ( 4.480 3.556 5.797) 8.144 5.304 ( 3.189 3.291 0.821) 4.656 5.494 ( -7.116 -2.431 -1.481) 7.664 5.508 ( -2.449 -4.096 9.530) 10.658 5.594 ( -0.643 -3.622 3.316) 4.952 5.733 ( 5.726 0.093 4.428) 7.239 5.907 ( -2.679 1.197 -3.384) 4.479 6.012 ( -0.729 -7.213 0.421) 7.262 6.219 ( -6.558 -1.189 -2.097) 6.987 6.326 ( -3.988 -3.163 -2.834) 5.826 6.462 ( 1.982 3.489 2.634) 4.800 6.547 ( 3.170 6.106 0.938) 6.944 6.693 ( -1.943 0.273 -3.176) 3.733 6.812 ( -3.460 -0.324 1.752) 3.892 6.947 ( 1.205 -0.798 3.637) 3.914 7.063 ( 4.285 -2.553 -0.952) 5.078 7.152 ( 5.630 -1.056 0.675) 5.768 7.236 ( 6.430 1.074 -3.829) 7.561 7.693 ( 1.005 -0.759 2.510) 2.808 7.963 ( -1.363 -0.429 -2.681) 3.038 7.986 ( 1.292 -4.433 1.005) 4.725 8.124 ( -2.102 1.527 -2.823) 3.837 8.226 ( 0.162 -1.125 -2.012) 2.311 8.359 ( 2.772 -0.788 0.795) 2.990 9.589 ( 1.674 1.424 -0.081) 2.200 9.847 ( 0.408 1.233 -3.485) 3.719 9.939 ( -1.291 -0.569 1.617) 2.146 10.492 ( 0.339 0.287 0.970) 1.067 10.593 ( 2.498 0.572 -3.062) 3.993 10.790 ( 6.361 0.528 4.076) 7.573 10.918 ( 5.185 -0.480 0.147) 5.210 11.341 ( 2.549 5.446 -1.388) 6.171 11.572 ( -5.085 1.167 4.606) 6.959 11.630 ( 2.942 -2.341 6.959) 7.910 12.051 ( -6.426 -0.499 -8.658) 10.794 12.252 ( -6.887 -1.827 0.358) 7.134 12.362 ( -4.691 -4.593 -2.138) 6.904 12.551 ( -3.345 -0.290 1.987) 3.901 15.665 ( 1.951 1.022 -0.132) 2.206 15.881 ( 3.393 0.870 -0.019) 3.503 20.013 ( -2.688 2.386 0.872) 3.698 20.292 ( 2.497 -8.190 -0.153) 8.563 24.004 ( -0.645 0.177 -0.040) 0.670 24.046 ( -1.589 -0.245 -0.225) 1.623 24.382 ( 1.693 1.515 -0.831) 2.420 24.414 ( 1.773 0.627 0.838) 2.058 24.568 ( 4.784 -1.170 -2.922) 5.727 24.638 ( -1.439 0.529 4.196) 4.467 24.834 ( 0.261 2.373 0.614) 2.464 25.035 ( -1.575 -0.084 -0.230) 1.594 25.271 ( 1.514 2.949 -1.351) 3.579 25.458 ( 3.137 -0.254 -3.598) 4.780 25.530 ( -4.053 6.287 2.613) 7.923 26.093 ( -3.206 -6.968 0.597) 7.694 ======================= Grid point 131 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.002 7.906 11.906) 14.292 1.599 ( -1.062 5.420 5.984) 8.144 1.827 ( -15.103 9.928 12.827) 22.163 1.914 ( -5.411 3.617 0.452) 6.525 2.269 ( -13.597 -2.104 -4.009) 14.331 2.307 ( -2.801 4.246 -7.045) 8.689 2.472 ( -2.494 1.419 0.654) 2.943 2.581 ( -5.913 -1.167 -4.585) 7.573 2.634 ( 3.107 -12.381 0.717) 12.785 2.856 ( 4.375 8.498 -6.686) 11.664 3.049 ( -3.648 1.712 3.544) 5.366 3.210 ( -0.331 7.752 -0.087) 7.759 3.367 ( -4.129 5.561 0.089) 6.927 3.596 ( -3.594 -1.927 -2.842) 4.971 3.695 ( 3.699 -10.963 -2.123) 11.764 3.767 ( 5.583 -9.317 -0.013) 10.862 4.151 ( 3.181 -8.663 3.447) 9.851 4.282 ( -2.163 1.661 -3.697) 4.594 4.461 ( 7.229 -2.076 -3.726) 8.393 4.573 ( 0.838 1.213 -6.555) 6.718 4.657 ( 1.592 6.738 -5.022) 8.553 4.838 ( -1.403 1.043 2.887) 3.375 4.992 ( 9.717 -3.283 -2.556) 10.570 5.134 ( 11.727 2.447 2.161) 12.173 5.269 ( 0.603 1.465 1.031) 1.890 5.326 ( 1.357 3.156 2.894) 4.492 5.351 ( -8.056 -1.481 2.553) 8.580 5.523 ( -1.200 -3.001 4.552) 5.583 5.614 ( -2.645 -7.300 -0.491) 7.780 5.774 ( 2.036 3.991 4.646) 6.455 5.897 ( 1.688 -0.438 1.252) 2.147 5.987 ( -6.320 -2.305 -0.680) 6.761 6.162 ( -2.491 -2.160 0.566) 3.346 6.325 ( -2.234 -5.315 -1.630) 5.991 6.461 ( 0.520 1.597 0.003) 1.680 6.556 ( 4.675 5.015 2.717) 7.375 6.679 ( 1.984 1.498 -4.243) 4.917 6.749 ( -4.215 -0.419 0.062) 4.236 6.933 ( 0.357 4.074 6.047) 7.300 7.132 ( 0.373 -1.122 -0.761) 1.406 7.195 ( 2.032 1.620 -2.246) 3.435 7.352 ( 4.569 -0.314 -2.608) 5.270 7.732 ( 1.179 -0.893 1.940) 2.439 7.936 ( -1.219 -0.044 -2.890) 3.137 8.042 ( -0.689 -3.482 0.919) 3.667 8.093 ( -0.885 -1.819 -3.874) 4.371 8.269 ( 3.505 -1.624 -0.859) 3.957 8.409 ( 2.747 0.403 -1.248) 3.044 9.604 ( 1.736 2.026 2.095) 3.392 9.823 ( 0.090 1.919 -0.264) 1.939 9.935 ( -0.435 -0.127 3.470) 3.499 10.500 ( 1.090 0.532 -0.962) 1.548 10.614 ( 0.794 -0.331 -0.336) 0.923 10.924 ( 11.043 2.826 3.828) 12.025 11.045 ( 8.881 -0.086 0.109) 8.882 11.300 ( 0.089 6.300 -4.702) 7.862 11.468 ( -5.806 1.788 4.669) 7.662 11.706 ( 2.668 0.182 9.581) 9.947 11.952 ( -6.124 -4.312 -9.757) 12.301 12.130 ( -10.866 -3.345 0.609) 11.386 12.331 ( -5.245 -6.454 -1.990) 8.552 12.506 ( -3.209 -1.746 1.042) 3.799 15.683 ( 1.841 1.881 0.675) 2.717 15.924 ( 3.124 1.585 -1.743) 3.912 19.960 ( -0.874 1.895 3.468) 4.047 20.446 ( 2.920 -12.987 -0.854) 13.338 23.993 ( -0.688 -0.005 0.361) 0.777 24.023 ( -1.274 0.053 -0.596) 1.407 24.389 ( 1.606 2.386 -0.728) 2.967 24.420 ( 0.555 2.238 1.238) 2.618 24.636 ( 2.458 0.038 1.265) 2.765 24.672 ( 5.165 -1.021 -1.858) 5.583 24.819 ( 0.579 2.119 0.752) 2.322 24.987 ( -3.649 0.029 -0.084) 3.650 25.211 ( -3.867 4.797 -0.774) 6.210 25.430 ( 0.650 5.639 -2.920) 6.383 25.504 ( -0.393 -1.102 3.507) 3.697 26.107 ( -2.440 -5.367 -1.204) 6.018 ======================= Grid point 132 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -1.115 12.167 20.460) 23.830 1.401 ( -11.402 17.767 9.446) 23.128 1.608 ( -3.932 4.813 9.015) 10.950 1.819 ( -1.134 3.809 1.910) 4.409 2.068 ( -3.057 5.380 -5.341) 8.175 2.142 ( -10.255 6.236 -5.965) 13.403 2.310 ( -7.097 18.682 2.313) 20.118 2.489 ( 2.358 4.198 -3.872) 6.179 2.753 ( 1.789 6.860 7.500) 10.320 2.940 ( 3.393 2.627 -5.635) 7.083 2.977 ( -0.838 -2.820 5.881) 6.576 3.127 ( -3.908 12.278 -2.623) 13.149 3.256 ( 1.224 -6.076 -7.865) 10.014 3.406 ( -9.401 5.255 -10.451) 15.008 3.801 ( -0.915 -8.630 1.995) 8.905 4.029 ( 4.812 -12.123 -0.914) 13.075 4.173 ( -3.225 0.205 5.149) 6.079 4.406 ( 8.581 -13.818 -3.618) 16.663 4.541 ( -0.831 2.126 -11.056) 11.289 4.611 ( 5.348 -5.449 -1.383) 7.759 4.660 ( 2.894 -0.323 -6.232) 6.879 4.855 ( 0.469 -4.923 5.491) 7.389 5.133 ( -5.246 -2.042 3.689) 6.730 5.200 ( 0.976 -7.788 -3.619) 8.644 5.264 ( 2.136 -1.045 -0.013) 2.378 5.306 ( -0.034 0.374 6.389) 6.400 5.416 ( 7.688 4.851 -3.515) 9.746 5.611 ( 7.292 -8.084 -3.351) 11.391 5.677 ( 2.555 -6.421 6.540) 9.515 5.778 ( 3.053 1.797 2.309) 4.229 5.883 ( -5.729 -3.382 1.819) 6.897 5.942 ( -1.502 -2.164 2.994) 3.988 6.130 ( -2.716 -0.616 -0.606) 2.851 6.317 ( -3.307 -1.156 1.221) 3.710 6.433 ( -5.035 -2.859 -1.444) 5.967 6.566 ( -0.391 2.592 1.205) 2.885 6.708 ( 3.483 3.173 1.536) 4.956 6.757 ( 8.668 5.658 -4.142) 11.149 6.925 ( 6.156 6.390 3.684) 9.607 7.070 ( -7.028 2.156 -0.113) 7.352 7.195 ( 1.148 3.254 -4.691) 5.823 7.358 ( -4.480 -0.150 -2.639) 5.201 7.726 ( -1.001 2.630 1.723) 3.299 7.933 ( 0.218 -1.820 -0.787) 1.995 8.047 ( -1.037 -2.031 -2.555) 3.424 8.106 ( -1.392 -4.199 -3.076) 5.388 8.348 ( 2.807 -2.038 -0.004) 3.469 8.434 ( 1.503 1.828 -2.993) 3.816 9.603 ( 0.560 2.595 3.561) 4.442 9.830 ( 2.657 2.542 0.303) 3.690 9.955 ( 2.547 -2.348 11.765) 12.265 10.519 ( 2.099 0.488 -3.436) 4.056 10.640 ( 1.964 -0.977 2.737) 3.508 11.094 ( 10.998 3.835 3.603) 12.192 11.183 ( 7.296 1.404 -0.021) 7.430 11.237 ( 1.814 5.855 -2.947) 6.801 11.359 ( -4.329 3.127 2.723) 5.994 11.673 ( -5.491 2.841 6.464) 8.945 11.907 ( -11.894 -5.881 3.782) 13.797 12.009 ( -3.135 -7.770 -10.074) 13.103 12.328 ( -2.624 -7.649 -0.060) 8.087 12.482 ( -2.619 -3.016 -0.338) 4.009 15.690 ( 1.566 2.588 1.705) 3.472 15.947 ( 1.943 2.082 -5.053) 5.801 19.973 ( 3.496 -0.474 10.124) 10.721 20.623 ( -0.042 -16.941 -2.648) 17.147 23.982 ( -0.653 0.036 0.511) 0.830 24.004 ( -0.636 0.263 -0.709) 0.988 24.379 ( -0.115 2.953 1.475) 3.303 24.408 ( 2.061 3.320 -1.300) 4.118 24.696 ( 3.769 -0.583 -0.451) 3.840 24.750 ( 1.878 -0.316 0.474) 1.962 24.820 ( 2.084 1.358 0.620) 2.563 24.941 ( -1.379 -1.187 -0.660) 1.935 25.088 ( -3.814 5.032 0.173) 6.316 25.361 ( -4.504 2.733 -6.279) 8.196 25.507 ( 2.181 3.471 8.612) 9.538 26.103 ( -3.375 -3.002 -5.397) 7.038 ======================= Grid point 133 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 7.774 13.214 20.366) 25.492 1.124 ( -0.248 15.370 19.762) 25.036 1.457 ( -0.597 10.997 2.807) 11.365 1.763 ( -0.711 16.592 -1.951) 16.721 1.843 ( -8.502 10.967 -2.520) 14.103 1.947 ( 0.768 15.994 -2.033) 16.141 2.181 ( 7.598 5.256 9.028) 12.917 2.477 ( -0.346 10.837 -5.133) 11.996 2.666 ( -3.368 15.923 3.865) 16.727 2.735 ( -0.340 16.513 4.023) 16.999 2.916 ( 2.742 9.216 -3.207) 10.136 3.073 ( -2.003 -4.907 0.877) 5.372 3.244 ( -1.543 -1.459 -15.390) 15.536 3.534 ( 8.569 -17.330 -15.789) 24.961 3.870 ( -0.449 -8.023 5.714) 9.860 4.109 ( -3.955 -4.574 2.821) 6.672 4.160 ( -3.370 -7.193 3.894) 8.847 4.487 ( -4.436 -2.232 -8.880) 10.174 4.634 ( -1.357 -8.106 -4.636) 9.436 4.693 ( 0.709 -7.002 -6.562) 9.622 4.785 ( 5.130 -9.373 2.912) 11.075 4.943 ( 2.682 -6.812 1.645) 7.504 5.078 ( -3.609 -5.857 3.953) 7.934 5.221 ( -4.918 -1.431 1.018) 5.222 5.296 ( 4.528 -4.277 -1.515) 6.410 5.344 ( -3.891 2.345 -7.627) 8.878 5.474 ( 4.103 -4.936 4.385) 7.774 5.733 ( -2.676 1.207 1.442) 3.270 5.755 ( 5.273 -0.806 2.872) 6.058 5.803 ( -1.713 -6.258 0.500) 6.508 5.890 ( -0.338 -1.657 2.224) 2.794 6.062 ( 2.724 -6.457 -4.029) 8.083 6.130 ( 5.874 -4.968 7.169) 10.515 6.253 ( 0.966 3.574 1.924) 4.172 6.349 ( -7.714 -3.226 -3.255) 8.972 6.538 ( 1.775 3.363 -1.122) 3.965 6.669 ( -3.335 7.526 4.717) 9.488 6.830 ( -6.413 7.342 -1.022) 9.802 6.860 ( 6.599 6.565 -0.250) 9.312 7.030 ( 0.520 4.561 -13.371) 14.137 7.177 ( -9.704 5.133 0.151) 10.979 7.199 ( 7.098 6.492 -0.118) 9.620 7.684 ( -0.241 2.956 4.125) 5.081 7.973 ( 1.577 -2.793 0.906) 3.333 8.050 ( -0.577 -1.980 -5.397) 5.778 8.123 ( -1.390 -4.294 -3.165) 5.512 8.383 ( -0.504 -1.176 -0.354) 1.328 8.418 ( -0.764 1.513 -1.994) 2.617 9.587 ( 0.520 2.679 4.992) 5.689 9.830 ( -0.106 1.201 -4.504) 4.662 10.115 ( 7.489 -6.167 17.910) 20.369 10.555 ( 3.083 0.474 -5.161) 6.030 10.728 ( 5.972 -3.189 6.508) 9.391 11.103 ( -2.485 2.953 -2.097) 4.393 11.222 ( -0.489 1.296 3.189) 3.477 11.280 ( 1.049 4.413 1.022) 4.650 11.383 ( 10.660 -1.492 8.815) 13.913 11.516 ( -8.834 1.113 1.046) 8.965 11.714 ( -11.456 -1.660 5.208) 12.693 12.119 ( 3.981 -10.058 -6.880) 12.820 12.396 ( 1.801 -5.984 1.212) 6.365 12.477 ( -1.970 -4.265 -2.022) 5.115 15.682 ( 0.595 3.325 2.332) 4.105 15.924 ( -1.427 3.345 -9.026) 9.731 20.146 ( 10.276 -10.127 21.265) 25.697 20.744 ( -6.108 -17.224 -6.132) 19.277 23.973 ( -0.187 0.104 0.388) 0.443 23.997 ( 0.207 0.335 -0.525) 0.656 24.337 ( -0.962 3.371 1.133) 3.684 24.416 ( 2.276 3.007 -2.173) 4.352 24.725 ( -3.140 0.464 1.435) 3.483 24.750 ( 2.016 -0.306 0.394) 2.077 24.854 ( -0.399 -1.167 0.736) 1.436 24.940 ( -0.284 0.636 -2.595) 2.686 25.043 ( 2.802 2.067 3.281) 4.784 25.227 ( -5.828 2.886 -5.704) 8.650 25.543 ( 7.504 5.498 9.463) 13.269 26.019 ( -6.408 2.668 -12.013) 13.874 ======================= Grid point 134 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 7.635 15.583 17.497) 24.643 1.199 ( 13.596 13.921 18.846) 27.089 1.476 ( 12.763 7.114 -2.588) 14.839 1.561 ( 11.240 17.812 -2.585) 21.220 1.739 ( 0.048 3.770 10.306) 10.974 1.909 ( 10.156 11.763 -10.001) 18.481 2.113 ( -7.457 16.441 2.625) 18.243 2.296 ( 8.891 15.164 8.189) 19.392 2.584 ( 0.713 3.179 -3.741) 4.961 2.733 ( 13.388 11.151 3.415) 17.755 2.922 ( 4.369 4.212 -5.924) 8.481 3.074 ( 8.062 6.718 -3.767) 11.149 3.311 ( -0.067 -11.320 -9.158) 14.561 3.788 ( 4.438 -12.437 -16.242) 20.932 3.929 ( -5.264 -8.494 7.396) 12.432 4.087 ( -0.799 -3.959 4.732) 6.221 4.172 ( -3.107 -5.824 2.653) 7.114 4.407 ( -9.826 -6.748 -2.556) 12.191 4.618 ( -3.082 -1.478 -4.109) 5.345 4.713 ( -5.204 -6.309 1.620) 8.337 4.912 ( -5.944 -13.731 -6.685) 16.388 5.004 ( -5.259 -3.458 3.098) 7.015 5.096 ( -4.411 0.235 0.025) 4.417 5.160 ( -3.869 0.011 0.019) 3.869 5.232 ( 2.687 -8.223 -2.993) 9.154 5.487 ( 4.034 -8.284 3.063) 9.710 5.583 ( 3.623 -3.207 3.313) 5.864 5.660 ( -3.132 0.359 -0.670) 3.223 5.693 ( -11.375 -5.699 -3.305) 13.145 5.859 ( 4.183 0.829 3.977) 5.831 6.018 ( 0.822 -2.259 1.617) 2.897 6.022 ( -2.242 2.308 1.057) 3.387 6.115 ( -1.648 3.769 1.600) 4.414 6.226 ( -7.396 2.356 -6.852) 10.354 6.421 ( 4.197 -1.831 1.545) 4.833 6.448 ( -11.706 13.566 -1.942) 18.023 6.548 ( 3.518 2.969 0.043) 4.604 6.753 ( 5.802 -1.957 0.404) 6.137 6.803 ( -5.519 5.799 2.995) 8.547 6.951 ( -0.916 10.960 -3.161) 11.443 6.996 ( 7.332 7.466 -2.537) 10.767 7.323 ( 8.048 4.869 -2.090) 9.636 7.666 ( 0.529 1.858 5.048) 5.405 8.033 ( 0.687 -3.065 2.037) 3.744 8.048 ( 0.029 -0.663 -8.860) 8.884 8.137 ( -1.236 -3.490 -3.049) 4.796 8.378 ( -0.633 -1.521 1.310) 2.105 8.396 ( -1.268 -1.167 -0.305) 1.751 9.579 ( 0.999 2.437 5.350) 5.964 9.803 ( -1.581 0.430 -5.815) 6.042 10.252 ( 1.009 -4.090 5.926) 7.271 10.583 ( 0.524 1.012 -4.199) 4.351 10.831 ( 0.331 -0.954 4.320) 4.436 11.017 ( -5.249 -0.636 -0.817) 5.350 11.188 ( -9.315 0.678 0.055) 9.340 11.233 ( -1.301 -0.196 -1.360) 1.892 11.331 ( -2.957 2.599 0.074) 3.938 11.484 ( -8.569 -9.987 22.278) 25.874 11.876 ( 21.066 -8.279 -0.018) 22.635 12.293 ( 5.760 -7.544 -0.381) 9.499 12.461 ( 0.714 -2.781 0.965) 3.029 12.521 ( 1.113 -6.100 -2.761) 6.787 15.646 ( -0.793 3.930 1.148) 4.170 15.811 ( -4.301 7.059 -7.146) 10.927 20.489 ( 1.836 -23.979 24.944) 34.649 20.745 ( -10.007 -13.788 -7.781) 18.730 23.978 ( 0.771 -0.229 0.298) 0.858 24.003 ( 1.031 0.344 -0.346) 1.140 24.290 ( -0.937 2.861 0.276) 3.023 24.394 ( -1.675 3.680 -0.657) 4.096 24.682 ( -0.009 0.973 -1.071) 1.447 24.774 ( 0.229 0.474 0.353) 0.633 24.787 ( -6.919 -1.698 0.677) 7.156 24.963 ( 3.209 2.327 0.641) 4.016 25.035 ( 0.548 0.959 -1.255) 1.672 25.171 ( 0.269 1.657 -0.146) 1.685 25.671 ( 8.838 2.621 7.480) 11.872 25.861 ( 1.106 10.199 -14.451) 17.722 ======================= Grid point 138 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.032 -0.000 5.326) 5.700 1.631 ( -0.292 0.000 -3.528) 3.540 2.001 ( 8.352 -0.000 3.797) 9.175 2.111 ( -4.170 0.000 -1.402) 4.399 2.361 ( -3.553 0.000 -1.103) 3.720 2.437 ( -13.405 0.000 5.244) 14.395 2.552 ( -3.969 0.000 -3.609) 5.365 2.717 ( -0.534 0.000 -1.995) 2.065 2.763 ( 11.706 -0.000 2.600) 11.992 2.848 ( -13.262 0.000 8.932) 15.989 3.061 ( 6.031 -0.000 -5.154) 7.934 3.153 ( 4.806 -0.000 -1.730) 5.107 3.320 ( -8.462 0.000 5.772) 10.243 3.433 ( -1.751 0.000 -8.936) 9.106 3.616 ( -9.740 0.000 -0.831) 9.776 3.641 ( -7.737 0.000 -8.491) 11.488 4.213 ( -4.515 0.000 4.525) 6.392 4.257 ( 0.191 -0.000 -4.453) 4.458 4.441 ( -2.006 0.000 3.322) 3.880 4.471 ( 1.060 -0.000 -15.042) 15.079 4.748 ( -0.477 0.000 3.390) 3.423 4.830 ( 3.477 -0.000 1.395) 3.747 5.175 ( 5.840 -0.000 0.402) 5.853 5.199 ( 2.323 -0.000 7.306) 7.666 5.296 ( 2.463 -0.000 -5.528) 6.052 5.349 ( 0.131 -0.000 4.364) 4.366 5.487 ( -0.180 0.000 16.136) 16.137 5.542 ( 2.133 -0.000 -0.446) 2.179 5.553 ( 4.570 -0.000 -4.134) 6.162 5.605 ( 3.118 -0.000 1.535) 3.475 5.623 ( -1.545 0.000 1.868) 2.424 5.926 ( 3.837 -0.000 -3.538) 5.219 6.217 ( 1.560 -0.000 -2.363) 2.831 6.426 ( -8.726 0.000 -5.531) 10.331 6.542 ( 0.781 -0.000 0.288) 0.832 6.597 ( 4.970 -0.000 4.045) 6.408 6.649 ( 9.441 -0.000 -0.584) 9.459 6.738 ( 12.276 -0.000 -0.348) 12.281 6.850 ( 4.849 -0.000 -1.337) 5.030 6.965 ( -9.085 0.000 6.680) 11.276 7.161 ( -0.687 0.000 -0.935) 1.160 7.199 ( -4.192 0.000 -1.661) 4.509 7.770 ( -4.663 0.000 -0.869) 4.743 7.835 ( 0.482 -0.000 1.601) 1.672 7.999 ( -1.040 0.000 -3.194) 3.359 8.184 ( -0.530 0.000 2.671) 2.723 8.235 ( -1.576 0.000 -4.957) 5.202 8.305 ( 0.125 -0.000 2.549) 2.552 9.589 ( 0.636 -0.000 -2.255) 2.343 9.813 ( 5.432 -0.000 0.865) 5.501 9.979 ( -5.139 0.000 -5.793) 7.744 10.496 ( -0.379 0.000 2.167) 2.199 10.547 ( 4.578 -0.000 -3.963) 6.055 10.704 ( 2.087 -0.000 3.837) 4.368 10.872 ( 0.890 -0.000 -0.542) 1.043 11.382 ( 5.274 -0.000 6.233) 8.165 11.517 ( 1.559 -0.000 -1.002) 1.853 11.659 ( -3.771 0.000 7.639) 8.519 12.153 ( -3.633 0.000 -9.074) 9.774 12.331 ( -4.593 0.000 -0.693) 4.645 12.378 ( -5.754 0.000 -1.861) 6.048 12.607 ( -2.807 0.000 3.350) 4.371 15.639 ( 2.369 -0.000 -0.498) 2.421 15.828 ( 3.797 -0.000 0.706) 3.862 20.104 ( -0.737 0.000 -1.554) 1.720 20.179 ( -4.465 0.000 1.690) 4.774 24.024 ( -0.879 0.000 -0.762) 1.163 24.065 ( -1.425 0.000 0.481) 1.504 24.363 ( 2.552 -0.000 -0.327) 2.572 24.366 ( 3.733 -0.000 0.581) 3.778 24.493 ( 2.078 -0.000 -2.767) 3.460 24.680 ( -2.676 0.000 4.486) 5.224 24.896 ( -1.617 0.000 2.087) 2.640 25.004 ( 3.205 -0.000 -0.041) 3.205 25.295 ( 5.248 -0.000 -9.262) 10.645 25.337 ( 2.220 -0.000 3.122) 3.831 25.883 ( -0.694 0.000 -1.474) 1.629 25.897 ( -7.292 0.000 3.690) 8.173 ======================= Grid point 139 (60/117) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.132 5.008 6.034) 8.444 1.675 ( 3.248 -3.459 0.698) 4.796 1.991 ( -12.303 -6.464 7.826) 15.950 2.045 ( -6.968 0.770 3.336) 7.763 2.237 ( -0.542 2.184 -4.767) 5.272 2.337 ( -4.446 -6.447 0.140) 7.833 2.419 ( -9.723 3.622 -1.309) 10.458 2.691 ( -2.170 0.723 -2.808) 3.622 2.724 ( -10.103 -3.045 5.577) 11.936 2.930 ( 8.104 0.007 1.689) 8.278 3.103 ( 6.876 7.839 -5.281) 11.688 3.264 ( 2.603 0.285 -2.681) 3.748 3.311 ( 7.148 -7.591 -5.700) 11.883 3.418 ( -2.236 -4.943 0.743) 5.476 3.457 ( -1.935 6.411 -1.547) 6.873 3.623 ( -0.149 -7.661 -2.682) 8.119 4.095 ( -7.654 1.475 7.267) 10.657 4.292 ( 2.813 -1.595 -6.807) 7.536 4.403 ( -0.131 2.950 -2.190) 3.676 4.538 ( 5.381 -4.825 -12.148) 14.135 4.709 ( 0.027 4.752 1.050) 4.867 4.896 ( 1.454 -1.020 2.813) 3.327 5.102 ( 0.066 11.964 0.468) 11.973 5.280 ( 3.556 1.264 3.280) 5.000 5.337 ( 1.409 -0.002 2.974) 3.291 5.351 ( -3.397 2.854 2.213) 4.958 5.427 ( -0.500 -0.565 1.157) 1.381 5.474 ( -7.204 0.457 0.265) 7.223 5.559 ( 3.661 4.426 7.915) 9.779 5.725 ( 6.478 -1.352 3.598) 7.533 5.809 ( 5.790 -11.742 1.096) 13.137 5.946 ( -0.770 1.682 -3.126) 3.632 6.205 ( -3.581 0.206 -4.469) 5.730 6.254 ( -8.849 -3.211 -0.362) 9.420 6.488 ( -6.468 0.022 0.590) 6.495 6.675 ( 3.684 5.858 1.645) 7.113 6.738 ( 3.095 2.202 -3.086) 4.894 6.813 ( -7.077 0.288 4.741) 8.523 6.912 ( 5.953 -1.427 1.707) 6.355 6.962 ( 4.662 -5.519 -1.075) 7.304 7.169 ( 3.609 1.393 0.316) 3.881 7.225 ( 6.010 -1.505 -3.156) 6.953 7.713 ( -0.095 2.205 1.925) 2.928 7.872 ( 0.387 -4.506 1.684) 4.826 7.982 ( -0.531 0.489 -2.057) 2.180 8.148 ( -2.898 0.614 -0.492) 3.003 8.214 ( -0.070 -0.110 -4.858) 4.860 8.349 ( 4.045 -0.237 0.322) 4.065 9.608 ( 1.805 0.448 -0.201) 1.871 9.864 ( -0.235 0.386 -3.553) 3.581 9.932 ( 0.548 -0.088 2.050) 2.124 10.504 ( 0.984 0.597 4.369) 4.518 10.587 ( 0.769 -0.623 -7.508) 7.573 10.805 ( 9.201 0.630 6.417) 11.235 10.915 ( 4.857 0.001 -0.732) 4.912 11.444 ( 3.752 4.653 -0.150) 5.979 11.558 ( 1.647 -3.995 -1.261) 4.501 11.587 ( -5.251 0.173 8.886) 10.323 12.060 ( -6.199 0.762 -4.740) 7.841 12.238 ( -6.638 0.250 -2.362) 7.050 12.286 ( -6.384 -2.778 -2.164) 7.291 12.549 ( -4.219 -0.019 2.411) 4.860 15.678 ( 2.390 0.333 0.194) 2.421 15.889 ( 3.466 0.082 -0.224) 3.475 20.070 ( -1.751 3.448 0.476) 3.896 20.159 ( -0.718 -5.390 -0.186) 5.441 24.008 ( -0.817 0.146 -0.474) 0.956 24.043 ( -1.323 -0.115 0.176) 1.340 24.402 ( 2.235 0.481 -0.430) 2.327 24.420 ( 2.621 0.121 0.470) 2.665 24.553 ( 5.005 -0.353 -3.101) 5.899 24.645 ( -1.541 0.172 4.530) 4.788 24.872 ( -0.571 1.226 1.556) 2.062 25.030 ( -0.701 -0.313 -1.447) 1.638 25.326 ( 1.611 2.465 -5.628) 6.352 25.407 ( 2.974 -2.645 2.974) 4.968 25.708 ( -5.635 8.825 1.014) 10.520 25.940 ( -1.199 -7.827 0.225) 7.922 ======================= Grid point 140 (61/117) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.045 7.199 9.259) 12.768 1.667 ( -6.510 1.014 12.859) 14.449 1.866 ( -11.648 -6.047 14.292) 19.404 2.003 ( -2.246 -2.543 -4.768) 5.851 2.163 ( -5.800 4.829 -3.140) 8.175 2.268 ( 0.229 -5.220 -11.419) 12.557 2.376 ( -2.929 -7.010 3.204) 8.245 2.524 ( -11.153 0.355 1.829) 11.308 2.632 ( -3.297 0.736 -5.532) 6.482 3.048 ( 0.288 0.029 0.616) 0.681 3.089 ( 9.939 12.147 -6.015) 16.808 3.372 ( 2.276 6.048 -4.609) 7.938 3.391 ( 0.100 -2.718 5.474) 6.112 3.494 ( 5.500 -3.626 -2.325) 6.985 3.519 ( 11.794 -6.083 -2.925) 13.588 3.698 ( -0.796 -2.869 -1.453) 3.313 4.003 ( -2.981 -5.255 7.426) 9.573 4.318 ( -0.913 1.322 -4.108) 4.411 4.418 ( 5.316 1.064 -6.810) 8.705 4.674 ( 1.081 4.187 -3.662) 5.667 4.696 ( 6.473 -3.664 -7.640) 10.663 4.877 ( -2.250 2.327 2.014) 3.812 5.019 ( 3.799 7.491 -1.489) 8.530 5.219 ( -4.378 4.976 5.247) 8.453 5.270 ( -7.726 -0.535 2.031) 8.006 5.362 ( -0.230 1.245 -2.517) 2.818 5.387 ( -4.720 -7.083 -7.146) 11.114 5.417 ( 3.034 3.603 9.717) 10.799 5.590 ( 2.981 3.252 10.389) 11.287 5.815 ( 1.764 -0.676 3.007) 3.551 5.902 ( -0.047 1.524 -0.334) 1.560 5.932 ( -2.852 -3.435 -1.745) 4.794 6.128 ( -3.124 0.072 0.930) 3.260 6.204 ( -2.319 -6.206 1.320) 6.756 6.389 ( -8.173 -6.444 -0.562) 10.423 6.617 ( -3.909 1.364 3.676) 5.537 6.743 ( 3.723 4.782 -2.199) 6.447 6.782 ( 2.308 1.291 -1.877) 3.243 6.972 ( 1.664 0.622 2.962) 3.454 7.079 ( 2.505 -3.974 -1.611) 4.966 7.216 ( 2.553 0.856 0.349) 2.716 7.352 ( 5.993 0.060 -3.055) 6.727 7.722 ( 1.880 0.317 2.370) 3.042 7.917 ( -1.034 -3.865 0.759) 4.072 7.972 ( 0.031 -0.384 -0.532) 0.657 8.095 ( -2.180 0.670 -2.952) 3.730 8.239 ( 2.620 -1.296 -2.492) 3.841 8.423 ( 4.755 0.767 -2.387) 5.375 9.635 ( 2.033 1.063 1.768) 2.897 9.848 ( 0.254 0.510 2.195) 2.268 9.943 ( -0.028 0.866 1.017) 1.336 10.517 ( 1.240 1.157 2.149) 2.738 10.596 ( 0.031 -1.354 -4.009) 4.232 10.979 ( 12.337 2.412 4.571) 13.376 11.044 ( 10.107 -0.127 -0.049) 10.108 11.417 ( -0.426 5.371 -5.850) 7.954 11.495 ( -4.909 0.994 6.566) 8.259 11.650 ( 2.747 -5.047 0.774) 5.798 11.930 ( -7.673 1.196 -1.442) 7.898 12.097 ( -9.739 -0.044 -1.776) 9.899 12.215 ( -6.534 -5.246 -2.472) 8.736 12.481 ( -4.273 -0.839 1.320) 4.550 15.711 ( 2.153 0.966 1.086) 2.597 15.939 ( 2.654 0.220 -1.493) 3.053 20.009 ( -1.176 3.139 1.599) 3.713 20.231 ( 0.561 -8.759 -0.687) 8.804 23.994 ( -0.666 0.118 -0.017) 0.676 24.023 ( -1.040 0.014 -0.210) 1.061 24.425 ( 1.667 1.267 -0.132) 2.098 24.452 ( 1.786 1.065 0.225) 2.091 24.638 ( 2.656 0.245 1.363) 2.995 24.656 ( 4.862 -0.618 -1.318) 5.076 24.855 ( -0.145 1.409 1.787) 2.280 24.988 ( -3.813 0.028 -1.260) 4.016 25.287 ( -3.106 2.667 -4.290) 5.930 25.470 ( 0.629 -0.931 3.827) 3.989 25.559 ( -1.959 5.727 0.856) 6.113 25.998 ( 0.240 -5.292 -1.122) 5.415 ======================= Grid point 141 (62/117) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -2.486 9.112 21.849) 23.803 1.647 ( -9.696 3.140 13.490) 16.907 1.666 ( 0.549 2.047 6.057) 6.417 1.888 ( -2.309 4.271 3.424) 5.941 2.084 ( -5.608 1.097 -6.048) 8.320 2.264 ( -7.844 4.060 -1.001) 8.889 2.404 ( 1.381 -12.269 -8.167) 14.803 2.501 ( 1.295 -1.103 -7.284) 7.480 2.613 ( 3.639 -4.059 0.113) 5.452 3.009 ( 0.186 1.603 -1.280) 2.060 3.162 ( 10.556 12.920 -4.570) 17.299 3.300 ( -0.226 11.888 4.511) 12.717 3.364 ( -2.692 3.864 3.460) 5.844 3.490 ( -5.626 2.477 -5.982) 8.577 3.654 ( -1.864 -3.410 -0.186) 3.891 3.848 ( 12.118 -6.597 -6.449) 15.230 4.110 ( 2.201 -10.394 5.790) 12.100 4.265 ( -0.975 2.158 -1.845) 3.001 4.477 ( 0.813 -1.114 -5.901) 6.060 4.616 ( -3.265 1.684 -7.118) 8.010 4.745 ( 4.150 6.860 -4.982) 9.439 4.834 ( -0.461 0.693 1.481) 1.700 5.069 ( 0.278 -3.548 -2.331) 4.254 5.079 ( -10.593 -1.462 1.230) 10.764 5.251 ( 5.231 -1.331 0.916) 5.475 5.329 ( -1.147 0.073 -0.731) 1.362 5.424 ( 1.999 -8.405 0.375) 8.647 5.477 ( 5.008 -0.664 2.456) 5.617 5.629 ( 5.952 3.563 10.372) 12.478 5.786 ( -6.467 -1.376 -2.567) 7.093 5.865 ( -1.146 1.881 1.857) 2.881 5.899 ( -3.629 -2.360 0.999) 4.443 6.103 ( -1.533 -1.877 3.945) 4.630 6.262 ( 0.390 -4.408 3.632) 5.725 6.332 ( -5.907 -5.875 -2.149) 8.604 6.571 ( -2.668 -1.870 5.094) 6.047 6.791 ( 4.954 2.956 -1.212) 5.895 6.822 ( 5.438 1.153 -6.534) 8.579 6.996 ( 3.363 1.756 2.118) 4.345 7.088 ( -4.075 -0.107 -0.051) 4.076 7.240 ( 2.304 2.053 -0.816) 3.192 7.383 ( -0.766 1.971 -1.876) 2.827 7.753 ( 1.465 0.457 1.527) 2.165 7.912 ( -1.328 -0.899 0.138) 1.610 7.989 ( -0.689 -3.079 0.147) 3.158 8.060 ( -1.483 -0.399 -4.391) 4.652 8.308 ( 2.982 -1.961 -0.067) 3.569 8.475 ( 3.077 2.052 -4.572) 5.880 9.650 ( 1.284 2.047 3.280) 4.074 9.878 ( 3.467 1.815 3.392) 5.179 9.924 ( -0.640 -0.524 5.841) 5.900 10.529 ( 1.576 0.708 -1.964) 2.616 10.615 ( 1.019 -1.512 0.390) 1.865 11.163 ( 10.516 2.983 4.524) 11.830 11.212 ( 9.080 1.477 0.266) 9.203 11.336 ( -1.091 3.771 -4.622) 6.065 11.423 ( -1.449 3.547 2.399) 4.520 11.704 ( -4.558 -1.705 1.258) 5.026 11.793 ( -7.381 -3.784 -2.820) 8.761 11.929 ( -8.697 -0.343 -3.564) 9.406 12.191 ( -1.852 -6.136 1.263) 6.532 12.431 ( -3.408 -2.099 -0.212) 4.008 15.732 ( 1.752 1.618 2.172) 3.225 15.967 ( 1.122 0.291 -3.426) 3.617 19.984 ( 1.018 1.559 4.953) 5.291 20.337 ( -0.424 -11.947 -2.478) 12.208 23.984 ( -0.467 0.156 0.363) 0.612 24.008 ( -0.566 0.152 -0.550) 0.804 24.429 ( 0.444 2.003 1.059) 2.309 24.463 ( 1.833 2.251 -0.952) 3.055 24.689 ( 3.632 -0.177 0.515) 3.672 24.745 ( 3.474 -0.182 -0.498) 3.514 24.843 ( -0.116 0.846 1.698) 1.901 24.926 ( -2.483 -0.385 -1.397) 2.875 25.183 ( -3.616 4.404 -1.042) 5.793 25.399 ( -6.176 0.978 -5.585) 8.384 25.570 ( 4.387 2.899 9.355) 10.732 26.039 ( -0.450 -3.177 -3.763) 4.945 ======================= Grid point 142 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -0.768 6.118 27.545) 28.226 1.412 ( -2.277 11.675 8.468) 14.602 1.672 ( 0.177 9.306 9.004) 12.950 1.884 ( 3.208 4.344 -2.972) 6.164 2.053 ( -8.169 6.460 0.853) 10.449 2.079 ( 5.254 -2.999 -1.948) 6.356 2.419 ( 1.406 9.956 -5.697) 11.556 2.539 ( 2.363 -0.316 -8.661) 8.984 2.780 ( 4.597 -9.166 4.803) 11.324 2.965 ( -3.914 7.996 7.880) 11.889 3.137 ( -9.101 14.854 0.690) 17.434 3.189 ( 0.114 5.802 -3.414) 6.733 3.262 ( 12.447 7.017 -9.144) 16.964 3.383 ( 1.443 6.503 -12.231) 13.927 3.667 ( -5.126 -9.698 6.852) 12.934 3.995 ( 0.737 -3.942 -5.415) 6.738 4.144 ( -1.356 1.160 5.072) 5.377 4.362 ( -1.200 -12.445 -1.299) 12.570 4.459 ( -1.346 -3.923 -8.281) 9.261 4.575 ( -1.971 -3.209 -9.806) 10.505 4.732 ( 1.542 3.908 1.385) 4.424 4.883 ( 5.352 -1.382 -0.502) 5.550 4.960 ( -6.300 -4.454 1.527) 7.865 5.116 ( -0.170 -7.746 -1.669) 7.926 5.297 ( -1.228 1.652 4.733) 5.161 5.340 ( -0.146 -3.220 -1.963) 3.774 5.434 ( 1.137 0.899 1.038) 1.782 5.657 ( -9.263 -3.563 -2.650) 10.272 5.729 ( 5.007 -4.971 5.146) 8.733 5.751 ( 7.157 -0.544 4.434) 8.437 5.820 ( -4.637 -6.078 -0.393) 7.655 5.908 ( 8.710 -2.697 0.708) 9.146 6.107 ( -0.890 -0.343 5.439) 5.522 6.281 ( -1.135 -1.622 2.559) 3.235 6.315 ( 0.211 -0.593 -2.149) 2.240 6.558 ( -1.205 -1.370 4.935) 5.262 6.780 ( -3.664 2.908 -0.995) 4.782 6.921 ( 3.275 -0.994 -8.536) 9.197 6.964 ( -5.180 4.832 1.559) 7.253 7.056 ( 4.103 1.581 -1.809) 4.755 7.251 ( -0.318 2.734 0.745) 2.851 7.316 ( 0.999 4.950 -0.787) 5.111 7.747 ( -0.233 2.927 1.844) 3.468 7.918 ( 0.216 -2.597 1.201) 2.869 8.008 ( 0.023 -2.413 -1.646) 2.921 8.046 ( -1.430 -2.551 -4.751) 5.579 8.355 ( 0.391 -1.377 0.516) 1.522 8.466 ( -1.035 2.734 -4.918) 5.721 9.645 ( 0.880 2.993 4.503) 5.478 9.861 ( -1.135 1.892 -4.324) 4.855 10.025 ( 6.820 -3.149 17.053) 18.634 10.557 ( 2.323 -0.156 -4.676) 5.223 10.671 ( 3.311 -2.683 4.339) 6.082 11.152 ( -5.863 2.034 1.223) 6.325 11.262 ( -0.559 2.836 0.554) 2.944 11.379 ( -0.177 4.940 -0.462) 4.964 11.397 ( 4.079 1.876 2.176) 4.990 11.534 ( -9.410 0.508 -0.531) 9.438 11.711 ( -3.848 0.218 1.338) 4.080 11.938 ( 5.348 -7.170 -8.307) 12.208 12.278 ( 4.161 -5.513 3.963) 7.963 12.407 ( -2.501 -3.090 -2.100) 4.496 15.739 ( 0.944 2.302 3.149) 4.013 15.959 ( -1.292 0.694 -5.751) 5.935 20.035 ( 4.039 -2.421 10.655) 11.649 20.434 ( -3.059 -13.609 -5.503) 14.995 23.976 ( -0.183 0.234 0.410) 0.507 24.003 ( 0.192 0.199 -0.612) 0.672 24.401 ( -0.836 2.941 1.170) 3.274 24.468 ( 1.365 2.344 -1.478) 3.089 24.741 ( -1.998 0.926 0.656) 2.298 24.748 ( 2.620 0.048 0.823) 2.746 24.829 ( -3.020 -1.271 1.008) 3.428 24.940 ( 3.228 -0.305 -2.453) 4.066 25.111 ( 0.080 4.274 2.027) 4.731 25.280 ( -4.443 2.127 -6.178) 7.902 25.628 ( 5.466 3.167 10.194) 11.993 26.028 ( -2.975 -0.946 -7.345) 7.981 ======================= Grid point 143 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.690 4.421 23.695) 24.385 1.409 ( 11.970 9.431 10.340) 18.416 1.627 ( 5.010 7.790 6.395) 11.255 1.814 ( -3.202 8.210 3.372) 9.436 1.909 ( 3.796 10.617 -11.762) 16.294 2.229 ( 11.125 8.157 -0.166) 13.795 2.365 ( 7.276 14.736 -1.732) 16.526 2.501 ( -5.718 1.718 -1.526) 6.163 2.689 ( -5.288 11.857 2.377) 13.199 2.948 ( 3.182 -7.796 4.453) 9.525 2.995 ( 4.281 10.423 1.171) 11.329 3.131 ( 4.578 9.998 -6.087) 12.569 3.321 ( 5.548 6.325 -9.792) 12.910 3.524 ( 10.436 -9.196 -12.964) 19.014 3.673 ( -9.529 -14.011 9.386) 19.370 4.004 ( -3.283 -4.603 -1.065) 5.753 4.129 ( 1.414 1.622 3.751) 4.325 4.308 ( -9.272 -5.560 -6.514) 12.622 4.531 ( -2.210 -7.947 -3.072) 8.802 4.579 ( -1.696 -5.019 -8.681) 10.170 4.718 ( -4.453 -3.754 0.096) 5.825 4.946 ( -1.852 -7.804 1.982) 8.262 4.993 ( 1.345 -0.210 3.065) 3.354 5.167 ( 0.971 -2.093 -0.823) 2.450 5.233 ( -7.994 3.017 -0.625) 8.567 5.337 ( 1.378 -4.961 2.334) 5.653 5.518 ( 4.133 -2.825 3.247) 5.967 5.534 ( -9.276 -4.953 -5.910) 12.063 5.660 ( -5.183 -3.145 5.119) 7.935 5.856 ( 2.848 -0.969 2.153) 3.699 5.936 ( 4.978 -4.502 0.672) 6.745 6.051 ( -1.627 0.700 3.303) 3.748 6.130 ( 2.009 -3.026 2.431) 4.370 6.305 ( -0.104 4.256 -4.053) 5.878 6.365 ( 8.171 -3.181 2.499) 9.117 6.569 ( -1.332 -0.361 5.073) 5.258 6.626 ( -5.154 2.901 -4.441) 7.396 6.778 ( -4.520 7.308 -4.697) 9.792 6.932 ( -4.137 3.588 3.812) 6.672 7.097 ( 5.753 4.777 0.330) 7.485 7.140 ( -3.668 5.730 -4.695) 8.266 7.382 ( 5.011 1.339 -0.929) 5.270 7.714 ( 0.135 2.879 2.904) 4.092 7.963 ( 0.699 -3.717 1.992) 4.275 8.027 ( -0.098 -1.344 -7.820) 7.935 8.061 ( -0.118 -3.958 -1.272) 4.159 8.355 ( -1.169 -0.886 0.444) 1.532 8.394 ( -3.778 1.154 -2.520) 4.686 9.636 ( 1.323 3.186 5.204) 6.243 9.818 ( -1.737 1.142 -5.179) 5.581 10.174 ( 4.120 -3.476 11.420) 12.629 10.589 ( 0.744 -0.474 -7.373) 7.426 10.780 ( 3.390 -4.178 9.489) 10.908 11.005 ( -9.837 0.014 1.883) 10.015 11.177 ( -10.696 0.022 2.503) 10.985 11.248 ( -2.282 2.070 -1.225) 3.316 11.381 ( -7.893 -1.443 3.285) 8.670 11.415 ( 2.175 4.901 0.008) 5.362 11.828 ( 14.373 0.361 -0.700) 14.395 12.138 ( 8.898 -7.350 -3.028) 11.931 12.404 ( -1.135 -3.361 -2.975) 4.630 12.411 ( 4.491 -4.617 2.282) 6.833 15.719 ( -0.510 3.225 2.836) 4.325 15.898 ( -3.470 2.324 -6.057) 7.358 20.178 ( 3.855 -9.202 15.694) 18.597 20.483 ( -5.867 -12.443 -8.435) 16.137 23.976 ( 0.303 0.038 0.304) 0.430 24.010 ( 1.041 0.247 -0.501) 1.182 24.351 ( -1.308 3.211 0.497) 3.502 24.450 ( -1.009 2.246 -0.303) 2.480 24.705 ( -0.276 1.285 -1.081) 1.702 24.749 ( -5.773 -1.762 1.475) 6.214 24.790 ( 0.657 0.808 -0.015) 1.042 24.997 ( 3.453 0.910 0.128) 3.573 25.067 ( -1.063 2.138 -0.542) 2.449 25.232 ( 1.768 4.204 -1.800) 4.903 25.712 ( 5.371 1.494 8.670) 10.308 25.964 ( -1.410 1.639 -9.701) 9.939 ======================= Grid point 144 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 8.114 8.690 15.783) 19.760 1.548 ( 11.115 6.432 9.609) 16.039 1.651 ( 0.622 0.226 4.583) 4.631 1.725 ( 6.616 12.929 -4.711) 15.268 1.906 ( 6.053 8.702 -7.998) 13.279 2.215 ( 3.070 11.601 0.586) 12.015 2.391 ( 24.611 15.677 -1.067) 29.199 2.549 ( 5.549 -0.372 4.660) 7.255 2.611 ( 2.783 5.354 -0.949) 6.109 2.948 ( -0.115 3.475 -1.706) 3.873 3.077 ( 9.956 3.419 0.700) 10.550 3.216 ( 7.313 -4.425 -4.122) 9.489 3.378 ( 8.126 4.588 -7.663) 12.075 3.610 ( -12.425 -8.674 9.070) 17.660 3.758 ( 4.634 -11.658 -10.639) 16.449 4.020 ( -0.730 -7.482 3.376) 8.241 4.179 ( 3.332 -1.835 -0.184) 3.809 4.218 ( -4.605 -3.891 -1.833) 6.301 4.527 ( -5.032 -3.244 -3.162) 6.771 4.584 ( -3.749 -1.227 -1.669) 4.283 4.648 ( -8.088 -9.983 -10.394) 16.527 4.887 ( -8.374 1.606 7.088) 11.088 5.018 ( -6.803 2.964 1.815) 7.639 5.038 ( -5.881 -7.039 3.118) 9.688 5.232 ( 0.268 -3.000 -3.857) 4.893 5.306 ( -9.740 -9.453 1.239) 13.629 5.512 ( -2.211 -2.648 6.083) 6.993 5.586 ( 1.668 -2.117 1.826) 3.256 5.681 ( 2.237 -0.677 -2.271) 3.259 5.878 ( -2.937 -1.052 1.048) 3.291 5.957 ( -0.868 0.637 -1.017) 1.481 6.015 ( -4.300 3.238 3.453) 6.395 6.147 ( 2.722 1.741 -0.360) 3.251 6.255 ( 3.592 3.944 -0.776) 5.391 6.348 ( -10.042 9.302 0.473) 13.696 6.489 ( 2.347 1.472 -2.099) 3.476 6.641 ( 3.322 2.360 -3.228) 5.199 6.789 ( -3.407 5.546 4.917) 8.157 6.849 ( 6.042 -2.050 1.644) 6.588 7.024 ( 0.978 7.105 -4.368) 8.397 7.146 ( 2.591 0.961 1.276) 3.044 7.384 ( -2.722 0.780 -0.853) 2.957 7.710 ( 1.843 1.601 2.603) 3.568 7.988 ( -1.615 -1.517 -3.679) 4.294 8.031 ( -0.553 -3.189 -4.839) 5.821 8.107 ( 1.424 -2.444 -0.537) 2.880 8.336 ( -2.705 -2.570 1.218) 3.925 8.363 ( -0.157 -1.683 0.078) 1.692 9.634 ( 1.616 3.133 5.122) 6.218 9.768 ( -2.729 0.825 -6.021) 6.662 10.236 ( -0.034 -1.679 2.368) 2.903 10.535 ( -6.610 0.002 -6.482) 9.257 10.829 ( -0.416 0.549 7.713) 7.744 10.893 ( -4.731 -2.835 3.498) 6.531 11.000 ( -9.201 0.204 -2.033) 9.425 11.130 ( -8.258 -0.160 -3.206) 8.860 11.416 ( 3.975 4.104 0.769) 5.765 11.440 ( 5.999 -4.261 12.125) 14.183 12.066 ( 10.177 -3.740 -4.676) 11.808 12.334 ( 6.001 -5.432 1.916) 8.318 12.436 ( 1.145 -4.431 -1.843) 4.934 12.512 ( 2.646 -2.978 0.259) 3.992 15.665 ( -1.607 3.797 0.265) 4.131 15.803 ( -2.771 4.366 -2.104) 5.583 20.309 ( -3.178 -10.846 9.088) 14.503 20.477 ( -7.154 -10.146 -2.692) 12.703 23.987 ( 0.760 -0.503 0.293) 0.957 24.031 ( 1.805 0.252 -0.467) 1.882 24.303 ( -0.722 2.776 -0.059) 2.869 24.393 ( -2.082 3.272 0.923) 3.987 24.655 ( -6.133 -1.804 0.658) 6.426 24.714 ( 1.652 0.373 -1.968) 2.596 24.788 ( 0.461 1.768 -0.097) 1.830 25.023 ( 0.857 1.598 3.529) 3.968 25.077 ( 3.260 0.015 -3.967) 5.135 25.208 ( 0.862 4.926 0.589) 5.035 25.728 ( -1.528 0.366 -1.363) 2.080 26.013 ( 8.174 1.210 -1.222) 8.353 ======================= Grid point 149 (66/117) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 7.214 -0.000 4.656) 8.586 1.670 ( -16.395 0.000 16.388) 23.181 1.694 ( -1.018 0.000 10.439) 10.488 2.023 ( 1.206 -0.000 -1.905) 2.255 2.209 ( -7.484 0.000 -10.326) 12.753 2.213 ( -4.840 0.000 1.787) 5.160 2.329 ( 0.258 -0.000 -4.807) 4.814 2.515 ( -12.785 0.000 6.071) 14.154 2.631 ( -3.474 0.000 -5.473) 6.482 3.045 ( 4.168 -0.000 1.317) 4.371 3.300 ( 6.301 -0.000 -8.034) 10.211 3.305 ( 1.259 -0.000 -2.577) 2.868 3.369 ( 1.399 -0.000 -0.090) 1.402 3.446 ( 17.971 -0.000 -3.080) 18.233 3.562 ( 5.711 -0.000 1.418) 5.885 3.604 ( 3.746 -0.000 -2.163) 4.326 3.957 ( -8.569 0.000 8.609) 12.147 4.330 ( 0.810 -0.000 -5.217) 5.280 4.483 ( 8.031 -0.000 -3.831) 8.898 4.566 ( 2.271 -0.000 -9.713) 9.975 4.756 ( 4.150 -0.000 -3.617) 5.505 4.902 ( -2.033 0.000 2.365) 3.119 5.152 ( -1.798 0.000 0.522) 1.872 5.216 ( -4.179 0.000 -7.004) 8.156 5.275 ( -4.961 0.000 1.302) 5.129 5.329 ( -9.283 0.000 0.436) 9.294 5.358 ( -3.728 0.000 11.391) 11.986 5.464 ( 3.105 -0.000 8.104) 8.678 5.690 ( 3.130 -0.000 0.345) 3.149 5.752 ( 3.668 -0.000 0.300) 3.681 5.888 ( 5.717 -0.000 3.913) 6.928 5.922 ( -3.516 0.000 -4.191) 5.471 6.128 ( -3.123 0.000 5.427) 6.261 6.163 ( -1.555 0.000 -2.498) 2.943 6.292 ( -13.399 0.000 1.778) 13.516 6.628 ( -8.827 0.000 4.328) 9.831 6.789 ( 3.215 -0.000 -0.298) 3.229 6.806 ( 1.377 -0.000 -5.504) 5.674 6.982 ( 3.423 -0.000 2.558) 4.273 7.019 ( 4.711 -0.000 -1.774) 5.034 7.226 ( 3.209 -0.000 1.636) 3.602 7.352 ( 7.146 -0.000 -3.499) 7.957 7.736 ( 1.024 -0.000 1.897) 2.155 7.858 ( 0.483 -0.000 1.888) 1.949 7.979 ( -0.300 0.000 -0.220) 0.372 8.102 ( -2.487 0.000 -2.039) 3.216 8.225 ( 2.088 -0.000 -3.779) 4.318 8.432 ( 5.439 -0.000 -2.723) 6.083 9.645 ( 2.182 -0.000 1.634) 2.726 9.851 ( 0.107 -0.000 3.221) 3.223 9.955 ( 0.433 -0.000 -0.105) 0.445 10.535 ( 1.442 -0.000 7.456) 7.594 10.575 ( -0.280 0.000 -9.187) 9.191 11.007 ( 12.736 -0.000 6.064) 14.106 11.040 ( 10.314 -0.000 -1.388) 10.407 11.482 ( -5.743 0.000 -1.303) 5.889 11.528 ( -0.118 0.000 -3.309) 3.311 11.560 ( 2.567 -0.000 3.194) 4.098 11.950 ( -7.713 0.000 2.326) 8.056 12.124 ( -6.615 0.000 -4.829) 8.190 12.133 ( -9.138 0.000 -1.184) 9.214 12.473 ( -4.744 0.000 1.388) 4.943 15.720 ( 2.265 -0.000 1.232) 2.579 15.940 ( 2.538 -0.000 -1.427) 2.911 20.079 ( -1.585 0.000 -0.785) 1.769 20.106 ( 0.125 -0.000 1.268) 1.274 23.996 ( -0.677 0.000 -0.246) 0.721 24.023 ( -0.958 0.000 0.028) 0.958 24.438 ( 1.702 -0.000 0.192) 1.713 24.462 ( 2.315 -0.000 -0.245) 2.328 24.645 ( 1.171 -0.000 2.943) 3.167 24.646 ( 6.291 -0.000 -2.602) 6.807 24.870 ( -0.655 0.000 2.344) 2.434 24.988 ( -3.691 0.000 -1.925) 4.163 25.313 ( -2.862 0.000 -7.841) 8.347 25.459 ( 2.103 -0.000 8.906) 9.151 25.630 ( -6.260 0.000 -0.530) 6.283 25.933 ( 3.399 -0.000 -1.152) 3.589 ======================= Grid point 151 (67/117) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -9.879 -0.790 22.445) 24.535 1.582 ( -2.581 0.358 15.098) 15.321 1.686 ( -0.358 -2.001 6.743) 7.042 2.008 ( -2.733 8.098 -2.525) 8.912 2.139 ( 4.497 -1.942 -8.821) 10.090 2.168 ( -4.722 -6.620 -4.356) 9.225 2.306 ( -6.358 2.053 3.587) 7.583 2.426 ( 4.378 -3.859 -3.053) 6.586 2.598 ( 0.572 -0.180 -7.224) 7.249 3.048 ( -1.727 1.875 -1.138) 2.791 3.295 ( -0.584 -0.882 6.089) 6.181 3.380 ( 3.732 4.802 -5.894) 8.469 3.435 ( 5.487 -0.954 -9.419) 10.943 3.603 ( 0.379 -0.230 -4.227) 4.250 3.628 ( 0.354 6.852 2.088) 7.172 3.785 ( 17.235 -0.067 -0.954) 17.262 3.911 ( -0.493 -8.217 10.338) 13.215 4.324 ( 0.724 2.180 -3.959) 4.577 4.525 ( 1.813 4.116 -8.139) 9.299 4.623 ( -1.824 -1.714 -6.107) 6.600 4.825 ( 1.425 1.327 -0.060) 1.948 4.836 ( -2.706 -0.597 -1.358) 3.086 5.084 ( -2.827 4.130 -3.308) 5.999 5.136 ( -6.785 5.464 0.498) 8.726 5.213 ( 4.155 -4.426 2.508) 6.568 5.238 ( -1.578 -2.473 -3.799) 4.800 5.358 ( -0.437 -2.749 -0.645) 2.857 5.438 ( -4.263 -1.306 8.287) 9.410 5.720 ( 2.902 2.452 5.404) 6.606 5.802 ( -1.436 2.726 0.881) 3.205 5.839 ( -4.204 -0.895 -1.280) 4.485 5.918 ( -1.398 1.281 -0.958) 2.124 6.066 ( -4.174 -1.855 6.139) 7.652 6.177 ( 2.974 -2.139 6.292) 7.281 6.219 ( -0.749 -5.125 -0.178) 5.183 6.517 ( -5.692 -2.330 6.636) 9.048 6.815 ( 0.618 0.255 -4.672) 4.720 6.822 ( 1.295 -0.455 -9.023) 9.126 7.027 ( 3.058 1.242 3.279) 4.653 7.076 ( 0.905 -0.738 0.774) 1.401 7.276 ( 2.996 1.145 1.509) 3.545 7.414 ( 1.022 0.894 -2.488) 2.834 7.761 ( 2.171 0.432 0.992) 2.425 7.873 ( -0.605 -2.066 1.301) 2.516 7.968 ( -0.711 0.223 0.253) 0.787 8.064 ( -1.764 0.305 -3.626) 4.043 8.276 ( 3.215 -0.984 -0.400) 3.386 8.505 ( 3.660 0.837 -5.151) 6.374 9.678 ( 1.833 0.722 3.113) 3.684 9.885 ( 3.191 -0.271 10.567) 11.041 9.940 ( -1.152 1.032 -2.783) 3.184 10.550 ( 0.937 1.378 -0.677) 1.799 10.582 ( 0.661 -1.773 -0.849) 2.074 11.203 ( 8.516 0.944 7.255) 11.227 11.237 ( 12.296 0.864 -1.061) 12.372 11.380 ( -3.587 0.949 -4.650) 5.949 11.499 ( 0.247 3.824 -1.681) 4.185 11.609 ( -0.811 -5.031 -6.451) 8.220 11.784 ( -11.898 0.427 3.262) 12.345 11.956 ( -8.895 2.023 -1.616) 9.264 12.091 ( 0.175 -3.620 1.882) 4.084 12.402 ( -4.065 -0.798 -0.203) 4.148 15.754 ( 1.815 0.545 2.318) 2.994 15.968 ( 0.924 -0.039 -2.735) 2.887 20.035 ( 0.015 3.576 1.423) 3.848 20.150 ( -0.495 -6.966 -0.540) 7.004 23.987 ( -0.339 0.098 0.109) 0.369 24.010 ( -0.609 0.030 -0.231) 0.652 24.456 ( 0.818 0.725 0.786) 1.346 24.494 ( 1.896 0.815 -0.845) 2.230 24.688 ( 3.467 -0.016 1.149) 3.653 24.742 ( 4.376 -0.090 -1.095) 4.512 24.852 ( -1.703 0.187 2.629) 3.138 24.923 ( -2.793 0.002 -2.099) 3.493 25.250 ( -2.237 2.019 -3.986) 4.997 25.404 ( -7.481 -0.152 -0.612) 7.507 25.615 ( 3.699 1.382 7.055) 8.084 25.989 ( 1.725 -1.540 -3.081) 3.852 ======================= Grid point 152 (68/117) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -6.617 1.695 23.072) 24.062 1.545 ( -4.663 -3.291 15.215) 16.250 1.698 ( -0.341 -0.226 8.365) 8.375 1.979 ( 7.872 4.648 -3.334) 9.731 2.071 ( -1.721 6.965 -0.785) 7.217 2.173 ( -3.866 0.518 -0.766) 3.975 2.325 ( 3.119 -7.817 -6.617) 10.706 2.572 ( 8.199 -1.688 -8.220) 11.732 2.655 ( 5.040 -2.763 -0.559) 5.774 3.000 ( -1.958 -0.477 -2.783) 3.436 3.233 ( -9.406 1.537 3.764) 10.247 3.377 ( 4.475 5.008 -7.301) 9.920 3.460 ( -4.724 5.697 -5.518) 9.231 3.545 ( 7.210 8.824 1.459) 11.488 3.573 ( -4.357 0.750 1.829) 4.785 3.952 ( 1.652 -0.994 -2.572) 3.215 4.044 ( 1.753 -8.008 6.164) 10.256 4.310 ( 1.458 4.526 -0.730) 4.811 4.471 ( -3.455 4.737 -7.276) 9.345 4.541 ( -2.120 -0.795 -9.100) 9.377 4.813 ( -0.664 -1.009 0.107) 1.212 4.832 ( 1.787 -1.162 -0.974) 2.344 4.961 ( -6.029 3.744 -2.401) 7.492 5.041 ( 1.173 2.978 -1.088) 3.381 5.238 ( -3.705 -6.728 -0.465) 7.694 5.301 ( -5.138 -1.149 2.686) 5.911 5.417 ( 6.622 -3.870 -0.047) 7.670 5.580 ( 14.491 -8.001 -1.146) 16.593 5.649 ( -6.860 1.958 3.514) 7.952 5.753 ( -6.185 1.896 -0.172) 6.471 5.786 ( 3.862 2.459 5.502) 7.158 5.903 ( 1.407 0.593 -0.357) 1.568 6.084 ( 0.247 -2.818 7.246) 7.778 6.220 ( -1.242 -3.124 5.302) 6.278 6.291 ( 4.166 -1.957 -0.740) 4.662 6.490 ( -2.944 -4.693 8.440) 10.096 6.794 ( -3.224 -0.716 -5.275) 6.223 6.851 ( 0.353 -3.730 -12.200) 12.762 7.036 ( -2.006 2.475 3.034) 4.399 7.101 ( 4.619 1.785 2.266) 5.446 7.296 ( 0.388 1.787 1.720) 2.510 7.389 ( -0.536 2.446 -1.454) 2.895 7.787 ( 1.135 1.102 0.713) 1.735 7.875 ( -0.968 -1.696 1.161) 2.272 7.963 ( -0.324 -1.476 0.408) 1.565 8.030 ( -1.467 0.208 -5.049) 5.262 8.330 ( 1.468 -1.076 1.133) 2.144 8.512 ( -1.059 1.761 -6.166) 6.500 9.695 ( 1.287 1.843 4.209) 4.772 9.896 ( -1.901 1.305 -2.480) 3.386 9.985 ( 6.329 -0.923 13.501) 14.939 10.556 ( 1.189 0.172 -6.508) 6.618 10.622 ( 1.601 -2.218 5.090) 5.779 11.182 ( -7.115 1.028 3.340) 7.927 11.325 ( -0.284 3.272 -4.172) 5.309 11.418 ( 0.706 0.223 -1.229) 1.434 11.469 ( -0.329 3.359 -1.102) 3.550 11.532 ( -8.591 -0.411 -2.888) 9.073 11.701 ( 3.420 -1.037 1.477) 3.867 11.859 ( 2.014 -1.246 -4.429) 5.022 12.189 ( 5.944 -3.356 5.654) 8.864 12.356 ( -2.877 -1.948 -2.382) 4.212 15.773 ( 1.075 1.126 3.306) 3.654 15.964 ( -1.155 0.032 -4.151) 4.309 20.025 ( 1.568 1.249 4.508) 4.934 20.214 ( -1.262 -8.746 -2.869) 9.291 23.982 ( -0.000 0.319 0.354) 0.477 24.004 ( -0.027 -0.060 -0.476) 0.481 24.449 ( -0.382 1.792 0.950) 2.064 24.505 ( 0.690 1.324 -1.210) 1.921 24.749 ( 3.242 0.107 1.309) 3.498 24.758 ( -1.389 0.639 0.070) 1.530 24.808 ( -4.228 -0.833 1.201) 4.474 24.933 ( 3.653 -0.297 -2.193) 4.271 25.198 ( -1.385 4.229 0.184) 4.454 25.300 ( -2.638 -0.233 -4.603) 5.311 25.674 ( 3.958 1.591 9.130) 10.077 26.002 ( -1.651 -1.335 -5.172) 5.591 ======================= Grid point 153 (69/117) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.869 -0.000 18.364) 18.384 1.536 ( 3.185 3.261 10.194) 11.167 1.709 ( -2.070 -3.628 12.534) 13.211 1.976 ( 1.098 8.394 2.055) 8.711 2.087 ( 7.666 6.450 -5.211) 11.293 2.186 ( 7.909 -0.504 -2.674) 8.364 2.417 ( -0.034 -5.718 -4.798) 7.464 2.667 ( 7.863 7.620 -14.418) 18.105 2.802 ( 4.577 -7.442 9.510) 12.914 2.956 ( -9.442 11.670 4.550) 15.686 3.018 ( -4.250 -7.173 -11.060) 13.851 3.286 ( -0.799 12.606 1.198) 12.688 3.470 ( 2.393 -4.311 2.767) 5.655 3.477 ( -3.514 -0.998 -1.835) 4.088 3.548 ( 4.030 10.476 -3.729) 11.827 3.912 ( -7.109 -4.541 -4.136) 9.395 4.110 ( -2.315 -6.607 5.580) 8.952 4.243 ( -3.532 2.083 -4.143) 5.829 4.427 ( 1.908 1.421 -3.393) 4.144 4.540 ( 0.957 -0.362 -8.195) 8.258 4.743 ( -6.694 3.703 -1.667) 7.829 4.865 ( -1.551 -1.243 -0.638) 2.087 4.941 ( 2.986 -4.405 -1.522) 5.535 5.093 ( 4.735 -2.058 -0.966) 5.252 5.231 ( -3.685 -3.884 1.921) 5.689 5.271 ( -1.468 -3.907 1.650) 4.488 5.503 ( -0.645 0.453 -3.290) 3.383 5.547 ( -1.472 5.395 4.244) 7.020 5.605 ( -3.012 0.630 5.651) 6.434 5.828 ( 1.872 -1.141 0.142) 2.197 5.873 ( 6.597 -2.257 1.301) 7.093 6.007 ( 7.068 -7.018 -1.704) 10.106 6.071 ( -2.950 0.224 7.743) 8.289 6.288 ( 5.427 -4.941 4.622) 8.674 6.361 ( 3.071 0.914 -2.264) 3.923 6.512 ( -0.640 -4.319 6.590) 7.905 6.691 ( -7.101 2.858 -4.873) 9.074 6.856 ( -2.824 -0.754 -8.658) 9.138 6.980 ( -0.216 2.831 4.012) 4.915 7.156 ( 2.654 1.204 0.539) 2.964 7.226 ( -4.744 3.429 -0.367) 5.866 7.392 ( 1.535 0.002 -0.854) 1.757 7.770 ( -0.564 2.512 2.680) 3.716 7.898 ( 0.801 -2.697 1.101) 3.021 7.988 ( 0.042 -3.181 -0.396) 3.205 8.007 ( -0.505 -0.551 -6.141) 6.186 8.343 ( -0.684 -0.408 0.952) 1.242 8.428 ( -5.685 1.855 -5.239) 7.951 9.696 ( 1.234 2.657 4.949) 5.752 9.846 ( -1.943 1.577 -4.513) 5.160 10.120 ( 5.797 -1.901 13.460) 14.778 10.568 ( -0.220 -1.410 -11.048) 11.140 10.694 ( 2.625 -3.844 11.712) 12.603 11.024 ( -9.820 1.438 0.868) 9.963 11.205 ( -10.094 2.142 -1.780) 10.471 11.286 ( -6.972 1.374 -0.520) 7.125 11.371 ( -6.380 0.110 -3.522) 7.289 11.511 ( 3.333 4.376 0.811) 5.560 11.846 ( 12.138 1.058 0.885) 12.216 12.020 ( 10.522 -4.525 -2.794) 11.789 12.327 ( 2.975 -3.159 0.753) 4.404 12.347 ( 2.041 -2.805 -0.525) 3.509 15.769 ( -0.157 1.907 3.588) 4.066 15.922 ( -2.937 0.500 -4.827) 5.673 20.070 ( 2.267 -2.490 7.617) 8.328 20.269 ( -2.307 -8.977 -5.163) 10.609 23.980 ( 0.248 0.426 0.276) 0.565 24.011 ( 0.818 -0.167 -0.463) 0.954 24.411 ( -1.384 2.705 0.522) 3.083 24.486 ( -1.358 1.329 -0.402) 1.942 24.715 ( -6.103 -1.044 1.232) 6.313 24.733 ( -0.368 0.924 -1.112) 1.492 24.806 ( 2.409 0.693 0.591) 2.575 25.000 ( 3.211 -0.353 0.920) 3.359 25.113 ( -2.941 2.235 -3.157) 4.859 25.319 ( 5.094 4.163 -0.809) 6.629 25.732 ( 3.117 0.639 8.443) 9.023 25.962 ( -2.895 -1.276 -6.835) 7.532 ======================= Grid point 154 (70/117) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 6.251 -0.407 14.721) 15.998 1.610 ( 6.256 -1.179 5.261) 8.258 1.701 ( 0.025 3.957 9.306) 10.112 1.976 ( 9.252 10.216 4.236) 14.419 2.113 ( 6.002 11.779 -11.435) 17.479 2.340 ( -0.516 -10.429 -2.683) 10.781 2.425 ( 5.317 5.428 0.185) 7.600 2.715 ( 4.260 12.502 -1.980) 13.356 2.721 ( 5.494 5.891 -7.851) 11.248 2.931 ( 0.448 -8.140 9.267) 12.343 3.072 ( -2.833 -10.649 -4.498) 11.902 3.183 ( 1.917 9.114 -2.412) 9.621 3.405 ( -3.630 -3.044 3.106) 5.665 3.532 ( 5.608 4.686 -5.387) 9.079 3.648 ( 8.962 -3.948 0.618) 9.812 3.833 ( -9.201 -9.363 -0.894) 13.157 4.108 ( -4.346 -4.478 0.466) 6.258 4.202 ( -0.110 -0.570 -2.430) 2.498 4.460 ( 2.030 -0.091 -1.939) 2.809 4.539 ( -1.568 -0.221 -7.536) 7.701 4.602 ( -5.149 1.133 -4.018) 6.628 4.855 ( -3.419 -2.470 4.542) 6.198 4.947 ( -3.973 -1.702 -3.911) 5.829 5.152 ( -7.807 -3.848 3.003) 9.207 5.184 ( -8.252 8.537 2.643) 12.164 5.227 ( 4.674 0.795 -0.673) 4.789 5.457 ( 2.372 -3.761 -0.153) 4.449 5.548 ( -0.161 0.233 8.282) 8.287 5.676 ( 6.886 0.400 -0.674) 6.930 5.836 ( -3.211 -2.171 0.611) 3.924 5.924 ( 0.631 -2.383 0.900) 2.624 6.055 ( -0.145 0.533 5.415) 5.443 6.126 ( 0.120 -3.858 -2.049) 4.369 6.367 ( 2.562 5.258 0.666) 5.887 6.421 ( 0.548 -0.420 -0.480) 0.842 6.523 ( -1.044 1.549 2.744) 3.319 6.622 ( 2.970 -3.372 -5.102) 6.799 6.791 ( -0.325 1.789 -2.050) 2.740 6.948 ( -0.874 5.149 6.454) 8.302 7.133 ( -1.458 2.456 -4.307) 5.168 7.155 ( -2.104 0.159 0.116) 2.113 7.380 ( -4.565 -1.234 -0.568) 4.763 7.747 ( 0.608 2.133 3.650) 4.270 7.942 ( 0.773 -2.655 0.901) 2.909 7.985 ( -1.317 -1.530 -7.573) 7.837 8.048 ( 1.661 -3.383 -0.733) 3.840 8.308 ( -5.400 -0.379 -1.574) 5.638 8.338 ( -0.918 -0.768 -0.101) 1.201 9.695 ( 1.390 2.834 5.158) 6.047 9.790 ( -2.732 1.364 -5.510) 6.299 10.210 ( 1.883 -0.871 6.339) 6.670 10.520 ( -6.754 -1.650 -12.633) 14.420 10.783 ( 1.302 -3.517 15.687) 16.129 10.891 ( -3.107 1.260 4.223) 5.392 11.017 ( -9.172 1.517 -1.887) 9.486 11.127 ( -9.501 -0.230 -5.592) 11.027 11.371 ( 4.856 -1.119 1.421) 5.182 11.519 ( 2.978 4.683 2.843) 6.235 12.035 ( 10.141 -0.108 -1.670) 10.279 12.231 ( 8.365 -4.708 0.434) 9.609 12.355 ( 0.698 -3.498 -5.399) 6.471 12.462 ( 4.549 -2.192 3.032) 5.890 15.732 ( -1.742 2.880 1.653) 3.750 15.857 ( -3.059 1.340 -2.690) 4.288 20.147 ( 0.785 -5.510 7.512) 9.349 20.300 ( -3.479 -7.754 -4.942) 9.831 23.984 ( 0.563 0.185 0.190) 0.622 24.032 ( 1.538 -0.167 -0.430) 1.605 24.360 ( -1.245 2.805 -0.082) 3.070 24.440 ( -2.058 1.610 0.563) 2.673 24.623 ( -6.013 -1.420 0.338) 6.188 24.726 ( 0.238 0.790 -1.000) 1.296 24.824 ( 1.429 1.834 0.656) 2.416 25.036 ( 0.674 0.034 3.985) 4.042 25.085 ( 1.535 0.590 -5.134) 5.391 25.337 ( 3.566 7.544 0.257) 8.349 25.731 ( -3.645 0.090 1.543) 3.960 25.992 ( 5.083 -2.998 -1.917) 6.205 ======================= Grid point 155 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.633 -0.132 6.834) 6.865 1.631 ( -0.349 7.238 2.190) 7.570 1.802 ( 12.965 -0.052 0.185) 12.966 2.019 ( 6.516 15.535 -2.782) 17.074 2.065 ( 7.076 5.733 6.349) 11.102 2.390 ( 5.503 3.451 -5.607) 8.581 2.516 ( 1.863 -3.156 0.243) 3.673 2.731 ( 5.559 -0.950 0.869) 5.706 2.824 ( 1.864 -2.345 -2.615) 3.976 2.961 ( 1.126 1.690 3.342) 3.910 3.136 ( 3.505 -1.855 -0.455) 3.992 3.205 ( 5.137 -4.464 -2.656) 7.305 3.440 ( 3.528 -2.156 -0.685) 4.191 3.625 ( 8.352 1.723 -4.252) 9.529 3.717 ( -3.366 -1.221 1.788) 4.002 3.894 ( -0.608 -16.894 -0.246) 16.907 4.116 ( 1.876 -5.153 -0.455) 5.503 4.223 ( -0.041 -2.780 0.027) 2.780 4.421 ( -6.067 -1.944 -8.837) 10.894 4.466 ( -7.068 4.361 -4.631) 9.510 4.584 ( 4.331 1.336 0.831) 4.608 4.765 ( -7.381 0.297 3.300) 8.090 4.870 ( -8.302 1.940 -1.714) 8.696 4.936 ( -5.283 2.253 0.148) 5.745 5.114 ( -2.652 -2.331 1.520) 3.844 5.257 ( -1.004 1.710 2.822) 3.449 5.432 ( -6.663 -0.383 9.419) 11.544 5.632 ( 4.600 -2.677 -0.105) 5.323 5.692 ( -1.395 3.039 -1.450) 3.645 5.813 ( -2.770 -2.420 2.447) 4.418 5.958 ( 1.050 2.581 -2.543) 3.772 6.065 ( 7.269 0.885 1.251) 7.429 6.162 ( -0.665 -3.154 1.531) 3.568 6.318 ( -3.697 8.418 1.863) 9.381 6.393 ( 6.870 4.662 -0.487) 8.317 6.512 ( -1.023 1.508 -1.336) 2.260 6.690 ( 0.324 1.460 -3.481) 3.789 6.767 ( -1.654 -1.270 0.503) 2.145 6.915 ( 0.147 3.852 3.909) 5.490 7.089 ( -5.775 -2.720 -0.570) 6.409 7.113 ( 1.834 2.546 -2.163) 3.811 7.285 ( -7.160 -2.730 -0.039) 7.663 7.756 ( 1.899 1.084 2.651) 3.436 7.959 ( -0.454 -0.333 -2.106) 2.180 7.986 ( -0.268 -2.585 -5.067) 5.695 8.105 ( 1.274 -3.004 -0.073) 3.264 8.257 ( -2.927 -3.079 0.243) 4.255 8.351 ( 0.463 -1.784 1.048) 2.120 9.695 ( 1.451 2.792 4.826) 5.761 9.716 ( -3.997 1.009 -5.884) 7.184 10.213 ( -2.001 -0.135 -2.913) 3.537 10.406 ( -5.591 -1.094 -2.966) 6.423 10.804 ( -3.364 -0.275 -0.258) 3.385 10.853 ( -2.201 2.446 2.594) 4.190 10.888 ( -3.743 0.156 -0.175) 3.750 11.026 ( -2.019 -2.016 4.255) 5.124 11.500 ( 5.385 -2.867 1.413) 6.262 11.529 ( 3.103 2.705 6.821) 7.967 12.164 ( 5.192 -0.417 -7.406) 9.054 12.357 ( 1.696 -3.682 1.807) 4.438 12.442 ( 4.920 -4.142 -1.270) 6.556 12.533 ( 1.810 -0.836 1.516) 2.505 15.668 ( -1.942 2.983 -0.947) 3.683 15.798 ( -1.691 2.044 0.667) 2.735 20.200 ( -1.071 -4.417 0.339) 4.558 20.296 ( -5.052 -6.318 1.465) 8.221 23.996 ( 0.685 -0.268 0.197) 0.761 24.063 ( 1.905 -0.159 -0.468) 1.968 24.321 ( -0.155 2.323 -0.457) 2.372 24.392 ( -1.512 2.123 0.827) 2.734 24.550 ( -4.245 -1.417 -0.286) 4.484 24.725 ( -0.049 -0.827 1.078) 1.360 24.826 ( 1.042 2.394 -0.208) 2.620 25.032 ( -0.770 0.625 3.461) 3.601 25.120 ( 2.440 -0.214 -4.343) 4.986 25.299 ( 1.718 7.718 0.028) 7.907 25.675 ( -2.853 -2.007 -2.195) 4.122 26.124 ( 5.843 -2.253 1.392) 6.415 ======================= Grid point 161 (72/117) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -3.653 -0.000 21.164) 21.477 1.425 ( -10.434 -0.000 18.295) 21.061 1.752 ( -0.298 -0.000 5.036) 5.045 2.056 ( 2.433 -0.000 -5.076) 5.629 2.082 ( 3.720 -0.000 -1.397) 3.973 2.203 ( -5.227 -0.000 3.520) 6.302 2.248 ( 7.726 0.000 -8.630) 11.583 2.526 ( 7.892 -0.000 4.176) 8.929 2.641 ( 5.112 -0.000 -10.236) 11.441 3.005 ( -4.573 -0.000 -4.086) 6.133 3.225 ( -5.701 -0.000 12.809) 14.020 3.441 ( 1.974 -0.000 -11.590) 11.757 3.445 ( -5.080 0.000 -17.349) 18.078 3.579 ( 3.155 -0.000 -3.450) 4.676 3.746 ( 0.123 -0.000 7.431) 7.432 3.839 ( -1.054 -0.000 10.901) 10.952 4.020 ( 5.887 -0.000 2.021) 6.224 4.370 ( 2.256 -0.000 -4.017) 4.607 4.529 ( 0.195 0.000 -7.726) 7.728 4.539 ( -5.802 -0.000 -7.783) 9.708 4.781 ( -2.231 -0.000 0.385) 2.264 4.829 ( 2.091 -0.000 -3.284) 3.893 5.059 ( -10.224 0.000 1.257) 10.300 5.106 ( -2.190 -0.000 0.064) 2.191 5.127 ( -1.602 -0.000 1.344) 2.091 5.265 ( -7.208 -0.000 5.661) 9.165 5.367 ( 10.526 -0.000 -8.915) 13.794 5.482 ( 14.671 -0.000 -4.748) 15.420 5.677 ( -4.975 -0.000 6.551) 8.226 5.780 ( -1.355 -0.000 1.524) 2.040 5.855 ( 0.677 -0.000 1.521) 1.665 5.913 ( 0.576 -0.000 0.374) 0.687 6.017 ( -1.134 -0.000 9.774) 9.839 6.194 ( 0.130 -0.000 8.205) 8.206 6.259 ( 4.562 -0.000 -1.098) 4.692 6.431 ( -2.939 -0.000 8.889) 9.362 6.781 ( -2.961 -0.000 -5.680) 6.405 6.813 ( -0.345 -0.000 -13.707) 13.711 7.061 ( 0.218 -0.000 4.058) 4.064 7.117 ( 2.855 -0.000 2.681) 3.916 7.315 ( 0.320 -0.000 1.805) 1.833 7.413 ( -1.003 -0.000 -1.795) 2.057 7.797 ( 1.574 -0.000 0.224) 1.590 7.856 ( -0.502 -0.000 0.987) 1.107 7.951 ( -1.186 -0.000 1.036) 1.575 8.035 ( -1.564 -0.000 -4.713) 4.965 8.318 ( 1.990 -0.000 1.402) 2.434 8.530 ( -1.064 -0.000 -6.552) 6.638 9.713 ( 1.470 -0.000 4.162) 4.414 9.907 ( -1.583 -0.000 1.138) 1.949 9.980 ( 5.640 -0.000 9.130) 10.732 10.562 ( 0.247 -0.000 -12.931) 12.934 10.594 ( 1.412 -0.000 11.177) 11.266 11.192 ( -7.270 -0.000 3.762) 8.186 11.372 ( -1.487 -0.000 -9.086) 9.207 11.405 ( 2.418 0.000 0.400) 2.451 11.501 ( -11.055 -0.000 -3.567) 11.616 11.530 ( 1.823 -0.000 -1.723) 2.508 11.688 ( 6.336 -0.000 3.054) 7.033 11.852 ( -0.944 -0.000 -2.971) 3.118 12.154 ( 6.959 -0.000 6.211) 9.328 12.336 ( -3.060 -0.000 -2.494) 3.947 15.784 ( 1.101 -0.000 3.300) 3.479 15.964 ( -1.102 -0.000 -3.670) 3.832 20.075 ( 1.219 -0.000 0.710) 1.410 20.091 ( -1.037 0.000 0.114) 1.043 23.986 ( 0.213 -0.000 0.277) 0.349 24.002 ( -0.262 -0.000 -0.344) 0.432 24.467 ( -0.085 -0.000 0.822) 0.826 24.519 ( 0.347 -0.000 -1.113) 1.166 24.751 ( 3.443 -0.000 1.490) 3.752 24.764 ( -1.092 -0.000 -0.138) 1.101 24.799 ( -4.523 -0.000 1.251) 4.693 24.930 ( 3.478 -0.000 -2.104) 4.065 25.265 ( -7.855 0.000 -2.898) 8.373 25.274 ( 4.146 -0.000 -1.260) 4.333 25.691 ( 3.370 -0.000 8.312) 8.969 25.987 ( -1.282 -0.000 -4.481) 4.661 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.371 1.235 13.409) 13.535 1.430 ( 0.290 -10.054 17.044) 19.790 1.678 ( -5.016 2.361 6.110) 8.250 2.121 ( 3.214 4.497 1.908) 5.848 2.161 ( 7.437 0.523 -3.281) 8.146 2.213 ( 8.114 0.533 -2.956) 8.652 2.350 ( 4.462 0.451 -4.882) 6.629 2.658 ( 1.946 -5.092 13.845) 14.880 2.738 ( 8.557 1.103 -15.091) 17.383 2.903 ( -7.416 -2.663 -8.214) 11.383 3.122 ( -6.032 3.701 8.523) 11.078 3.364 ( -3.265 -2.816 -9.663) 10.581 3.458 ( 1.272 0.116 -9.135) 9.223 3.560 ( -4.496 7.561 1.362) 8.901 3.651 ( -2.374 2.727 2.107) 4.184 3.836 ( -9.660 -4.895 2.271) 11.065 4.010 ( -1.273 -1.438 7.261) 7.510 4.316 ( -5.000 3.805 -3.593) 7.238 4.514 ( 5.061 3.912 -9.654) 11.581 4.537 ( 0.436 -0.235 -6.183) 6.203 4.795 ( -13.503 0.328 -1.996) 13.654 4.827 ( 3.306 -1.667 -0.391) 3.723 4.893 ( 3.267 0.342 -0.393) 3.308 5.085 ( -2.640 -2.505 0.504) 3.674 5.169 ( 6.907 0.653 3.055) 7.581 5.199 ( -0.113 -2.130 -0.862) 2.301 5.498 ( 1.827 0.148 -2.497) 3.098 5.614 ( -1.848 2.162 9.213) 9.642 5.746 ( 8.618 5.342 -3.015) 10.578 5.812 ( 2.472 1.298 1.268) 3.066 5.833 ( 7.437 -0.775 -0.455) 7.491 5.902 ( -1.982 -2.490 -0.792) 3.280 6.044 ( -1.073 -4.396 6.906) 8.256 6.213 ( 2.947 -0.158 9.084) 9.551 6.315 ( 0.422 -4.903 0.319) 4.931 6.453 ( 2.998 -0.901 6.904) 7.581 6.731 ( -2.391 1.270 -5.052) 5.732 6.805 ( -0.367 -2.583 -11.008) 11.313 7.035 ( -2.173 1.994 3.338) 4.455 7.156 ( 0.747 -0.631 1.054) 1.438 7.278 ( -4.387 1.576 2.063) 5.097 7.388 ( -1.691 -0.268 -2.495) 3.026 7.808 ( 0.038 1.209 2.952) 3.190 7.859 ( 0.428 -1.178 1.070) 1.648 7.943 ( -0.243 -1.201 0.456) 1.308 8.004 ( -1.358 0.080 -5.881) 6.036 8.338 ( 0.022 -0.162 1.428) 1.438 8.455 ( -6.456 0.758 -6.627) 9.283 9.733 ( 1.078 0.991 4.879) 5.094 9.872 ( -1.984 0.782 -3.594) 4.179 10.098 ( 6.444 -0.469 13.286) 14.774 10.543 ( -1.850 -0.868 -15.375) 15.510 10.642 ( 2.379 -1.343 14.127) 14.389 11.047 ( -9.130 0.664 -0.192) 9.156 11.243 ( -10.255 1.371 -5.058) 11.517 11.296 ( -11.060 -0.151 0.312) 11.065 11.379 ( -2.448 0.440 -3.581) 4.360 11.575 ( 3.149 1.824 0.424) 3.664 11.861 ( 11.553 0.426 2.860) 11.909 11.960 ( 10.536 -1.580 -2.724) 10.997 12.289 ( 5.388 -0.679 3.013) 6.210 12.303 ( 0.825 -1.525 -2.573) 3.102 15.794 ( 0.112 0.627 3.885) 3.937 15.926 ( -2.900 0.028 -4.301) 5.187 20.061 ( 0.585 1.253 2.017) 2.446 20.132 ( 0.187 -4.862 -1.135) 4.996 23.991 ( 0.496 0.567 0.238) 0.790 24.004 ( 0.438 -0.470 -0.359) 0.736 24.452 ( -1.108 1.252 0.606) 1.778 24.501 ( -2.026 0.244 -0.656) 2.144 24.699 ( -6.387 -0.427 1.391) 6.551 24.749 ( -0.074 0.446 -1.350) 1.423 24.816 ( 3.285 0.299 1.020) 3.453 24.992 ( 3.097 -0.291 0.958) 3.255 25.146 ( -4.738 0.897 -4.990) 6.939 25.381 ( 8.504 1.766 0.913) 8.733 25.741 ( 2.166 0.263 7.613) 7.919 25.935 ( -4.612 -0.999 -5.606) 7.328 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 7.016 -1.234 7.688) 10.481 1.594 ( 4.675 -2.720 14.908) 15.858 1.614 ( -0.136 -7.948 3.587) 8.721 2.144 ( 6.996 7.411 -0.422) 10.200 2.268 ( 0.762 3.146 -0.149) 3.240 2.314 ( 10.075 5.053 -6.096) 12.814 2.422 ( 5.260 -2.051 -1.277) 5.789 2.685 ( -6.278 -9.303 9.392) 14.634 2.806 ( -2.356 -3.090 -7.773) 8.690 2.891 ( 2.273 0.812 -5.254) 5.782 2.985 ( 1.115 7.482 -2.100) 7.851 3.320 ( -4.854 0.277 -1.241) 5.018 3.408 ( -1.075 4.857 0.194) 4.978 3.505 ( 1.051 -4.447 -2.491) 5.204 3.611 ( -1.413 -1.725 -2.954) 3.701 3.691 ( -9.503 -4.892 -0.123) 10.689 4.047 ( 1.057 -1.445 7.394) 7.607 4.201 ( -3.482 2.173 -5.305) 6.708 4.515 ( -4.372 1.304 -1.751) 4.887 4.557 ( 0.732 1.080 -4.083) 4.287 4.606 ( -0.850 0.312 -10.897) 10.934 4.871 ( 1.217 1.840 1.725) 2.800 4.909 ( -2.079 0.298 1.533) 2.600 5.104 ( -0.135 -2.164 2.404) 3.237 5.273 ( 5.423 1.480 -0.798) 5.678 5.291 ( 6.118 3.420 1.459) 7.159 5.426 ( -5.166 1.315 -1.157) 5.455 5.584 ( -1.027 2.572 9.660) 10.049 5.702 ( 1.226 2.381 5.427) 6.052 5.830 ( -2.814 0.487 -4.056) 4.960 5.904 ( 3.889 2.230 0.714) 4.540 5.968 ( -2.095 -8.764 0.008) 9.011 6.089 ( 3.048 0.581 1.424) 3.414 6.354 ( 7.262 -5.205 4.381) 9.951 6.405 ( 5.050 -2.913 1.457) 6.009 6.513 ( 3.028 -0.012 2.936) 4.218 6.649 ( -1.908 5.278 -5.164) 7.626 6.819 ( -0.916 -0.451 -3.696) 3.834 6.993 ( -1.204 0.018 3.316) 3.528 7.143 ( -3.625 -0.916 -0.476) 3.769 7.163 ( -5.465 1.109 -0.878) 5.645 7.343 ( -5.710 -2.130 -1.583) 6.296 7.793 ( 0.580 2.422 6.210) 6.691 7.895 ( 1.370 -2.172 1.249) 2.856 7.962 ( 0.067 -1.126 -3.637) 3.808 7.991 ( 0.317 -1.788 -4.396) 4.756 8.311 ( -7.757 0.389 -4.253) 8.854 8.331 ( -1.412 -0.075 0.001) 1.414 9.740 ( 0.855 1.620 5.174) 5.488 9.817 ( -2.988 1.248 -5.299) 6.210 10.203 ( 3.907 0.059 9.661) 10.421 10.476 ( -6.514 -2.319 -16.139) 17.558 10.725 ( 3.591 -2.110 18.462) 18.926 10.915 ( -4.372 1.010 2.131) 4.967 11.055 ( -9.423 2.141 -3.132) 10.158 11.118 ( -9.709 -0.793 -5.478) 11.176 11.372 ( 2.470 0.668 -1.061) 2.770 11.596 ( 2.130 2.873 2.422) 4.320 12.042 ( 9.872 0.489 1.221) 9.960 12.155 ( 9.235 -2.839 -0.797) 9.694 12.302 ( 0.969 -1.828 -7.071) 7.367 12.427 ( 6.053 -1.280 4.197) 7.476 15.777 ( -1.344 1.678 3.034) 3.718 15.867 ( -3.501 -0.097 -3.437) 4.907 20.081 ( 1.207 -1.531 3.035) 3.607 20.176 ( -0.636 -4.708 -2.129) 5.206 23.993 ( 0.588 0.666 -0.019) 0.889 24.025 ( 1.264 -0.603 -0.210) 1.416 24.410 ( -1.650 2.203 -0.008) 2.752 24.459 ( -2.441 0.210 0.103) 2.452 24.601 ( -5.797 -0.695 0.276) 5.845 24.741 ( -0.595 0.572 -0.443) 0.937 24.856 ( 2.232 1.290 1.652) 3.062 25.032 ( 1.102 -0.326 3.279) 3.475 25.094 ( -0.164 0.236 -6.556) 6.562 25.483 ( 7.437 6.588 1.544) 10.055 25.739 ( -4.163 1.051 2.616) 5.028 25.907 ( 1.137 -5.242 -2.525) 5.929 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.905 0.919 9.216) 9.456 1.678 ( 5.179 -2.870 1.418) 6.088 1.831 ( 13.207 0.043 2.367) 13.418 2.135 ( -0.186 1.678 -2.001) 2.618 2.286 ( 5.631 3.026 4.381) 7.750 2.343 ( 2.653 8.860 -4.424) 10.252 2.522 ( -0.423 -6.231 0.705) 6.285 2.708 ( -1.085 -1.105 -2.986) 3.363 2.747 ( -5.479 1.245 5.454) 7.830 2.866 ( 4.029 -9.426 -0.218) 10.254 3.122 ( 12.680 2.002 -8.631) 15.469 3.217 ( -4.622 0.532 0.708) 4.706 3.426 ( 3.369 0.350 -3.469) 4.848 3.547 ( -3.666 -10.925 -1.501) 11.621 3.606 ( -1.345 -4.774 0.425) 4.978 3.706 ( 3.002 -4.316 0.136) 5.259 4.076 ( 2.152 0.984 4.292) 4.901 4.157 ( -1.553 -2.220 -5.540) 6.167 4.407 ( -3.678 0.276 -6.126) 7.151 4.558 ( -0.396 -0.818 -2.626) 2.779 4.663 ( 7.681 5.775 -3.603) 10.263 4.777 ( -6.575 5.911 5.193) 10.254 4.888 ( -2.018 0.872 -4.558) 5.060 5.053 ( -4.213 5.844 2.859) 7.751 5.170 ( -4.922 6.700 2.668) 8.732 5.302 ( 0.151 3.415 4.082) 5.324 5.451 ( -2.537 1.501 4.022) 4.987 5.546 ( 1.658 -3.667 0.364) 4.041 5.734 ( -1.608 -3.592 3.763) 5.445 5.771 ( -2.477 1.493 2.038) 3.538 5.970 ( 3.722 -0.293 -0.674) 3.794 6.023 ( -1.307 -9.867 1.425) 10.055 6.118 ( 5.708 3.892 -2.473) 7.338 6.435 ( 0.634 2.162 2.313) 3.229 6.494 ( 4.981 4.279 -1.103) 6.659 6.549 ( 0.387 3.590 1.102) 3.776 6.629 ( 2.896 -3.870 -5.059) 6.997 6.761 ( -4.702 0.473 1.953) 5.113 6.976 ( -1.991 -0.966 4.072) 4.635 7.041 ( -7.434 0.783 -0.337) 7.483 7.153 ( 2.462 -1.495 -3.492) 4.527 7.228 ( -9.995 -2.152 -0.566) 10.240 7.793 ( 1.564 2.598 5.352) 6.152 7.941 ( 1.631 -1.626 -0.235) 2.315 7.958 ( -0.083 -0.219 -5.465) 5.471 8.037 ( 1.374 -3.389 -2.010) 4.173 8.206 ( -4.345 -2.202 -1.466) 5.086 8.323 ( -0.146 -0.842 0.634) 1.064 9.736 ( -3.155 1.210 -2.497) 4.202 9.742 ( -0.531 1.665 1.875) 2.563 10.223 ( -1.356 1.262 -1.388) 2.315 10.377 ( -5.116 -2.016 -6.024) 8.156 10.794 ( 0.430 -0.141 7.842) 7.855 10.889 ( -1.545 0.949 3.858) 4.263 10.907 ( -3.875 1.213 1.456) 4.314 10.990 ( -4.853 -1.570 -2.790) 5.814 11.441 ( 4.730 -1.827 -0.384) 5.085 11.596 ( 0.998 2.907 4.461) 5.417 12.171 ( 6.250 0.866 -3.655) 7.292 12.289 ( 2.996 -3.108 -0.645) 4.364 12.374 ( 5.588 -2.610 -3.618) 7.150 12.521 ( 3.610 -0.416 3.225) 4.859 15.721 ( -2.637 2.416 -0.217) 3.583 15.815 ( -2.548 -0.148 0.070) 2.554 20.132 ( 2.101 -2.398 2.551) 4.084 20.193 ( -2.495 -4.102 -1.837) 5.140 23.998 ( 0.715 0.501 -0.054) 0.875 24.056 ( 1.676 -0.609 -0.220) 1.797 24.364 ( -1.091 1.950 -0.477) 2.285 24.417 ( -2.056 0.567 0.504) 2.192 24.527 ( -3.787 -0.882 -0.798) 3.969 24.717 ( -1.712 -0.145 1.913) 2.571 24.869 ( 1.076 2.013 1.293) 2.624 25.038 ( -0.790 -0.104 2.360) 2.491 25.115 ( 2.690 -0.179 -5.055) 5.729 25.481 ( 1.806 10.286 -0.204) 10.446 25.644 ( -4.527 -1.158 -0.459) 4.696 26.039 ( 5.648 -6.202 0.858) 8.432 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -1.077 1.895 4.136) 4.675 1.687 ( -1.039 4.893 -5.474) 7.415 2.027 ( 10.871 3.544 -0.697) 11.455 2.207 ( 8.029 5.059 4.128) 10.349 2.249 ( -0.281 5.194 6.373) 8.226 2.397 ( 3.005 -9.058 -3.879) 10.302 2.532 ( -8.449 -8.767 1.278) 12.242 2.600 ( 1.270 4.650 -0.269) 4.828 2.796 ( 1.525 -0.995 -2.513) 3.103 3.016 ( 1.175 -2.720 8.786) 9.272 3.224 ( 3.835 -4.925 -3.723) 7.268 3.263 ( 3.592 -2.352 -3.652) 5.637 3.493 ( 5.514 -3.707 -6.543) 9.325 3.623 ( -3.336 -4.485 2.124) 5.980 3.675 ( 5.099 -9.383 -2.437) 10.954 3.810 ( 5.085 -3.268 0.533) 6.068 4.103 ( 0.235 -0.974 -1.187) 1.553 4.177 ( 0.410 -3.543 -5.226) 6.327 4.376 ( -0.427 4.454 -4.713) 6.498 4.471 ( -1.553 13.630 3.421) 14.138 4.643 ( -0.929 -1.945 -0.221) 2.167 4.705 ( -2.539 1.454 -4.218) 5.133 4.808 ( -1.174 5.317 1.539) 5.659 4.911 ( -3.463 5.822 -1.331) 6.904 5.073 ( -3.201 1.844 2.894) 4.692 5.260 ( -2.824 0.706 8.176) 8.678 5.314 ( -7.216 3.164 3.710) 8.709 5.645 ( 2.511 -4.087 -4.354) 6.478 5.708 ( -2.437 2.422 3.775) 5.105 5.757 ( 0.825 -3.531 3.985) 5.388 6.005 ( 2.384 -0.007 -2.241) 3.272 6.096 ( -1.018 -6.341 2.464) 6.878 6.231 ( 6.335 1.377 -0.338) 6.492 6.360 ( -1.974 8.321 2.072) 8.800 6.465 ( -1.141 -0.847 -1.687) 2.206 6.586 ( 6.940 3.413 0.910) 7.787 6.673 ( -2.505 1.335 -3.045) 4.163 6.732 ( 1.465 -4.208 -2.231) 4.983 6.873 ( -11.999 -3.952 -0.191) 12.635 6.961 ( -0.980 3.735 3.240) 5.041 7.096 ( -6.187 -2.028 1.159) 6.613 7.203 ( 2.280 0.738 -2.073) 3.168 7.793 ( 0.144 1.639 1.239) 2.059 7.961 ( 0.862 -0.381 -4.884) 4.974 7.974 ( 1.315 0.090 0.323) 1.358 8.091 ( 1.067 -3.469 -1.160) 3.811 8.200 ( 0.141 -2.528 1.916) 3.175 8.342 ( 0.444 -1.609 0.768) 1.837 9.645 ( -4.738 0.548 -5.014) 6.920 9.743 ( 1.185 1.689 4.073) 4.566 10.156 ( -4.062 0.268 -8.512) 9.435 10.352 ( -0.034 -0.912 2.598) 2.753 10.736 ( -5.444 2.085 -6.795) 8.953 10.815 ( -2.460 1.287 -2.190) 3.536 10.880 ( -0.114 1.044 3.256) 3.421 11.028 ( 3.350 -2.609 11.087) 11.872 11.543 ( 3.445 -3.517 0.035) 4.923 11.586 ( 0.281 1.717 6.866) 7.083 12.227 ( 2.518 1.226 -9.850) 10.241 12.348 ( 1.245 -2.134 0.940) 2.643 12.489 ( 4.415 -2.654 0.429) 5.169 12.559 ( 1.062 1.003 2.347) 2.764 15.658 ( -1.958 1.823 -1.598) 3.116 15.784 ( -1.320 -0.071 1.816) 2.246 20.165 ( -3.414 -2.067 -3.971) 5.630 20.202 ( 2.470 -1.978 4.386) 5.408 24.006 ( 0.531 0.236 0.021) 0.581 24.088 ( 1.387 -0.468 -0.272) 1.489 24.336 ( -0.480 1.123 -0.478) 1.312 24.382 ( -1.423 0.526 0.481) 1.592 24.494 ( -0.918 -0.454 -1.996) 2.244 24.702 ( -1.273 -1.847 3.776) 4.392 24.847 ( -1.529 2.221 1.774) 3.228 25.031 ( 0.005 -0.157 1.246) 1.256 25.153 ( 2.127 0.489 -4.599) 5.090 25.380 ( -1.866 6.422 -0.528) 6.708 25.621 ( -0.450 -0.681 -1.537) 1.741 26.176 ( 4.115 -3.707 1.762) 5.812 ======================= Grid point 173 (77/117) ======================= q-point: (-0.40 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 7.200 -0.000 4.514) 8.498 1.463 ( 8.202 -0.000 7.821) 11.334 1.612 ( -3.329 0.000 11.443) 11.918 2.255 ( 7.868 -0.000 -0.010) 7.868 2.264 ( 5.708 -0.000 -3.540) 6.716 2.335 ( 3.692 -0.000 -0.931) 3.808 2.451 ( 6.763 -0.000 -3.634) 7.677 2.574 ( -7.803 0.000 12.962) 15.129 2.746 ( -5.572 0.000 -8.804) 10.419 2.913 ( 11.761 -0.000 -8.500) 14.511 3.090 ( -3.753 0.000 9.433) 10.152 3.269 ( -7.451 0.000 -8.732) 11.479 3.462 ( 0.311 -0.000 -6.672) 6.679 3.532 ( -3.087 0.000 -2.876) 4.219 3.546 ( -6.786 0.000 1.085) 6.873 3.633 ( -8.939 0.000 0.358) 8.946 4.036 ( 3.628 -0.000 9.477) 10.148 4.250 ( -4.991 0.000 -4.503) 6.722 4.494 ( -3.658 0.000 -7.422) 8.274 4.543 ( -12.567 0.000 -3.568) 13.064 4.653 ( 8.738 -0.000 -9.099) 12.615 4.864 ( 1.324 -0.000 0.640) 1.471 4.954 ( 2.866 -0.000 5.222) 5.957 5.068 ( 1.648 -0.000 1.293) 2.095 5.295 ( 9.441 -0.000 -0.603) 9.460 5.312 ( 8.472 -0.000 2.210) 8.756 5.473 ( -3.999 0.000 2.210) 4.569 5.608 ( -2.231 0.000 10.332) 10.570 5.773 ( -6.198 0.000 -1.669) 6.419 5.775 ( -4.723 0.000 0.132) 4.725 5.859 ( -4.728 0.000 -1.518) 4.966 5.991 ( 3.910 -0.000 -0.573) 3.952 6.080 ( 10.758 -0.000 -1.444) 10.855 6.286 ( 4.238 -0.000 2.685) 5.017 6.344 ( 8.954 -0.000 10.023) 13.440 6.525 ( 4.134 -0.000 1.025) 4.259 6.756 ( 3.177 -0.000 0.103) 3.178 6.762 ( -1.520 0.000 -9.225) 9.350 6.990 ( -4.470 0.000 1.651) 4.766 7.128 ( -2.948 0.000 -1.349) 3.242 7.180 ( -8.554 0.000 3.272) 9.159 7.316 ( -5.999 0.000 -3.546) 6.969 7.830 ( 1.515 -0.000 7.751) 7.897 7.861 ( 0.596 -0.000 1.916) 2.006 7.946 ( 1.524 -0.000 -1.670) 2.261 7.977 ( -1.072 0.000 -7.150) 7.230 8.316 ( -9.242 0.000 -6.223) 11.142 8.330 ( -0.845 0.000 0.925) 1.253 9.756 ( 0.602 -0.000 5.210) 5.245 9.831 ( -3.172 0.000 -5.258) 6.141 10.205 ( 5.010 -0.000 11.461) 12.508 10.449 ( -6.675 0.000 -17.709) 18.925 10.704 ( 4.285 -0.000 18.826) 19.308 10.926 ( -5.159 0.000 0.829) 5.226 11.091 ( -8.071 0.000 -9.049) 12.126 11.097 ( -11.050 0.000 0.402) 11.057 11.381 ( 1.700 -0.000 -1.468) 2.246 11.626 ( 1.709 -0.000 2.359) 2.913 12.047 ( 9.776 -0.000 3.349) 10.334 12.126 ( 9.471 -0.000 -2.244) 9.733 12.284 ( 1.116 -0.000 -7.737) 7.817 12.414 ( 6.677 -0.000 4.630) 8.126 15.795 ( -0.860 0.000 4.137) 4.226 15.863 ( -4.018 0.000 -4.331) 5.908 20.071 ( 0.664 -0.000 -0.279) 0.720 20.125 ( 0.856 -0.000 0.761) 1.145 24.006 ( 0.487 -0.000 -0.638) 0.803 24.013 ( 1.292 -0.000 0.420) 1.359 24.439 ( -1.317 0.000 0.375) 1.370 24.454 ( -3.152 0.000 -0.444) 3.183 24.595 ( -5.690 0.000 0.324) 5.699 24.746 ( -0.910 0.000 -0.198) 0.931 24.870 ( 2.674 -0.000 2.182) 3.451 25.028 ( 1.274 -0.000 2.701) 2.986 25.096 ( -0.876 0.000 -7.147) 7.200 25.558 ( 9.967 -0.000 3.265) 10.488 25.775 ( 1.229 -0.000 5.374) 5.513 25.821 ( -6.844 0.000 -6.342) 9.331 ======================= Grid point 175 (78/117) ======================= q-point: (-0.30 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 6.339 3.184 4.890) 8.615 1.590 ( 5.777 -4.974 0.313) 7.630 1.742 ( 16.274 -4.483 6.372) 18.043 2.233 ( -3.938 6.409 -3.750) 8.405 2.303 ( -6.358 -1.312 8.078) 10.363 2.398 ( 5.909 -0.776 -1.779) 6.220 2.518 ( 1.061 -1.484 1.420) 2.312 2.576 ( 6.527 -2.444 0.612) 6.996 2.749 ( 2.246 -1.380 -4.647) 5.343 2.896 ( -8.128 7.401 2.876) 11.362 3.116 ( -12.343 -8.205 0.374) 14.826 3.150 ( 13.292 0.640 -7.712) 15.381 3.431 ( -7.160 0.414 1.874) 7.413 3.484 ( 2.302 0.008 -1.810) 2.929 3.498 ( -2.202 -2.545 -4.158) 5.349 3.627 ( 5.909 -3.023 -4.090) 7.796 4.107 ( 3.952 1.118 7.344) 8.414 4.152 ( -4.174 0.996 -6.269) 7.597 4.410 ( -2.389 0.345 -4.577) 5.174 4.463 ( -1.956 -5.255 -6.184) 8.348 4.770 ( 7.797 4.311 -4.260) 9.876 4.888 ( 0.939 -0.389 -0.499) 1.133 4.953 ( 0.072 7.232 6.519) 9.737 5.113 ( 1.807 -1.492 4.206) 4.815 5.322 ( -7.556 9.498 3.718) 12.694 5.402 ( 2.788 3.036 1.101) 4.266 5.443 ( 5.584 1.414 -0.685) 5.801 5.555 ( -6.228 -0.326 3.866) 7.338 5.638 ( -5.925 -1.776 4.388) 7.584 5.776 ( -0.302 -3.812 0.373) 3.842 5.796 ( -4.799 -8.595 0.449) 9.854 5.977 ( -1.627 0.529 -0.834) 1.904 6.211 ( 7.370 4.438 -4.315) 9.624 6.407 ( 3.617 -3.087 2.579) 5.410 6.511 ( 8.063 -1.664 5.707) 10.017 6.587 ( 4.755 1.832 -3.721) 6.310 6.683 ( -2.589 5.268 -4.283) 7.266 6.790 ( -4.183 1.401 3.186) 5.441 6.912 ( -6.947 -3.007 1.055) 7.643 7.045 ( -6.492 -2.351 3.448) 7.718 7.103 ( 1.550 -0.792 -3.028) 3.493 7.201 ( -6.538 -0.830 -2.359) 7.000 7.848 ( 1.107 2.679 5.458) 6.180 7.904 ( 2.703 -2.184 4.530) 5.709 7.959 ( 0.249 0.236 -7.201) 7.209 7.990 ( 2.637 -1.153 -2.653) 3.914 8.171 ( -6.849 -1.064 -3.948) 7.977 8.316 ( -0.761 -0.063 0.452) 0.887 9.755 ( -4.801 0.559 -5.116) 7.038 9.764 ( 0.103 0.525 4.594) 4.625 10.261 ( 0.147 2.309 1.905) 2.997 10.327 ( -5.288 -2.710 -9.776) 11.440 10.804 ( 4.400 0.797 17.619) 18.177 10.878 ( -0.879 -1.269 3.014) 3.386 10.937 ( -6.200 1.560 -2.047) 6.712 10.968 ( -6.556 -0.860 -7.499) 9.997 11.424 ( 3.330 -0.225 -1.429) 3.631 11.636 ( -0.157 1.061 4.520) 4.646 12.188 ( 6.949 0.659 1.156) 7.075 12.241 ( 3.632 -1.475 -4.931) 6.300 12.340 ( 5.849 -0.822 -4.817) 7.621 12.515 ( 4.739 -0.126 4.089) 6.261 15.764 ( -2.581 1.829 1.216) 3.389 15.799 ( -3.339 -1.273 -1.244) 3.784 20.104 ( 3.099 -0.478 1.081) 3.316 20.135 ( -0.822 -1.632 -0.791) 1.992 24.012 ( 0.795 0.670 -0.535) 1.169 24.042 ( 1.539 -0.674 0.235) 1.696 24.395 ( -2.376 1.088 -0.290) 2.630 24.418 ( -1.985 -0.305 0.234) 2.022 24.516 ( -3.539 -0.253 -1.035) 3.696 24.715 ( -2.603 -0.029 2.548) 3.643 24.903 ( 1.493 1.149 2.415) 3.063 25.029 ( -1.691 -0.576 0.988) 2.041 25.115 ( 3.484 0.063 -5.855) 6.814 25.629 ( -6.204 -0.376 0.345) 6.225 25.690 ( 3.885 10.518 0.257) 11.216 25.886 ( 4.683 -9.033 0.558) 10.190 ======================= Grid point 176 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 1.309 4.086 6.556) 7.835 1.733 ( 2.944 -0.182 -6.161) 6.831 2.096 ( 6.306 -10.563 2.850) 12.628 2.135 ( 10.673 6.876 -0.592) 12.710 2.233 ( -5.831 -6.341 6.442) 10.757 2.375 ( -3.654 5.043 -4.234) 7.531 2.561 ( -6.288 9.437 2.299) 11.570 2.631 ( 2.937 -1.591 -1.397) 3.621 2.722 ( 3.746 -7.088 4.067) 8.990 2.932 ( 7.169 -2.751 -4.499) 8.900 3.080 ( -1.854 -10.351 4.566) 11.464 3.239 ( -6.670 0.296 -3.298) 7.446 3.394 ( 5.843 -3.480 0.259) 6.806 3.473 ( -3.234 -6.776 -2.856) 8.033 3.617 ( 10.733 -0.527 -4.233) 11.550 3.775 ( 8.504 -0.227 -2.680) 8.919 4.112 ( 1.152 -0.773 -8.526) 8.638 4.158 ( 3.531 2.691 2.767) 5.231 4.435 ( 4.827 0.868 -2.126) 5.346 4.506 ( 0.329 -6.188 -3.679) 7.206 4.785 ( -1.914 7.395 -0.956) 7.699 4.831 ( -1.830 13.043 3.011) 13.510 4.880 ( -0.028 2.524 -0.214) 2.533 5.082 ( -4.251 11.256 4.062) 12.699 5.137 ( -3.570 1.126 5.458) 6.618 5.294 ( -6.611 6.399 5.524) 10.732 5.410 ( -6.093 4.790 -1.153) 7.836 5.534 ( 2.529 -6.296 -2.358) 7.183 5.627 ( -2.864 -6.885 1.967) 7.712 5.784 ( 0.009 2.958 5.176) 5.962 5.880 ( -0.286 -14.181 1.535) 14.267 5.981 ( 0.611 -2.977 -1.843) 3.555 6.272 ( 5.019 2.828 -2.851) 6.428 6.422 ( -3.664 -1.415 1.481) 4.198 6.531 ( -8.000 6.124 -2.173) 10.307 6.612 ( 0.402 -2.191 -0.432) 2.269 6.655 ( -1.319 0.830 2.424) 2.882 6.694 ( 4.191 -0.470 -3.757) 5.648 6.781 ( -12.396 -4.020 0.848) 13.059 7.004 ( -3.135 -1.346 3.632) 4.983 7.105 ( 2.302 3.766 1.686) 4.725 7.219 ( 4.740 0.000 -2.739) 5.474 7.831 ( -0.632 1.851 2.070) 2.848 7.952 ( 1.399 -0.154 -7.254) 7.389 7.986 ( 2.553 -0.289 2.823) 3.818 8.036 ( 1.914 -0.744 -2.333) 3.107 8.143 ( 1.081 -3.318 2.130) 4.089 8.316 ( 0.282 -0.906 0.253) 0.982 9.655 ( -5.472 0.459 -4.499) 7.098 9.766 ( 0.416 0.684 3.999) 4.079 10.169 ( -5.033 0.952 -11.119) 12.242 10.332 ( 0.733 -1.120 3.699) 3.934 10.776 ( -4.517 2.131 -6.020) 7.822 10.848 ( -2.218 1.871 -1.805) 3.417 10.894 ( -1.160 0.196 0.574) 1.309 10.973 ( 4.518 -2.983 15.169) 16.106 11.488 ( 3.043 -1.713 -1.578) 3.832 11.613 ( -1.670 0.890 6.672) 6.936 12.251 ( 2.256 1.021 -9.573) 9.888 12.312 ( 3.382 -1.488 1.167) 3.875 12.452 ( 5.843 -1.108 -1.489) 6.130 12.577 ( 2.504 0.727 3.918) 4.707 15.692 ( -3.131 1.642 -1.807) 3.971 15.768 ( -2.268 -1.321 2.013) 3.308 20.121 ( -2.733 -1.774 -1.291) 3.504 20.187 ( 5.976 -0.134 1.485) 6.159 24.017 ( 0.753 0.835 -0.388) 1.189 24.075 ( 1.408 -0.814 0.146) 1.633 24.351 ( -2.001 0.423 -0.237) 2.059 24.381 ( -2.639 -0.355 0.349) 2.685 24.489 ( 0.272 -0.066 -2.623) 2.638 24.677 ( -2.576 -0.801 4.235) 5.021 24.892 ( -1.172 2.412 2.218) 3.480 25.010 ( -1.484 -1.881 1.311) 2.731 25.170 ( 3.605 1.012 -5.590) 6.728 25.475 ( -8.136 2.020 -1.827) 8.580 25.678 ( 3.246 6.918 0.676) 7.671 26.065 ( 5.681 -7.291 1.515) 9.367 ======================= Grid point 177 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -1.733 5.271 0.986) 5.636 1.677 ( -4.516 2.346 -5.280) 7.333 2.095 ( -8.907 -3.884 -1.262) 9.798 2.131 ( -5.150 -2.437 2.169) 6.097 2.313 ( -10.220 -3.151 -0.439) 10.704 2.418 ( 9.079 -3.584 12.418) 15.794 2.462 ( 10.635 0.679 -3.730) 11.291 2.709 ( 5.753 5.015 -2.566) 8.052 2.776 ( -2.300 -0.200 -0.328) 2.331 2.998 ( -2.613 -1.011 9.986) 10.372 3.185 ( 0.626 -5.260 -10.112) 11.416 3.262 ( 7.345 -8.948 2.145) 11.774 3.416 ( -6.857 -8.918 -1.538) 11.354 3.595 ( 7.382 -3.613 -5.188) 9.720 3.802 ( 6.640 -1.478 -1.216) 6.910 3.883 ( 7.102 1.505 0.890) 7.314 4.151 ( 3.246 3.588 -4.673) 6.727 4.188 ( 2.756 2.665 -3.355) 5.094 4.449 ( 0.341 10.896 -2.971) 11.299 4.553 ( -3.964 -3.949 -3.421) 6.558 4.627 ( 0.327 8.240 3.195) 8.844 4.685 ( 0.069 7.172 0.588) 7.197 4.872 ( 0.527 1.556 3.114) 3.521 4.910 ( -3.273 9.172 -3.677) 10.410 5.033 ( -4.829 4.043 3.184) 7.057 5.143 ( -7.346 -0.860 6.878) 10.101 5.329 ( 1.564 2.314 2.909) 4.033 5.621 ( 0.561 -5.376 -1.711) 5.669 5.701 ( 3.581 -3.927 0.239) 5.320 5.758 ( 0.001 -0.355 5.213) 5.225 6.005 ( -1.442 -5.483 2.652) 6.259 6.032 ( 2.540 -5.634 -3.295) 7.004 6.245 ( -5.077 2.335 0.570) 5.617 6.325 ( -7.592 1.866 1.401) 7.942 6.443 ( 0.448 -4.507 0.556) 4.563 6.559 ( -11.554 -4.470 -1.410) 12.468 6.630 ( -0.470 -5.141 -1.070) 5.272 6.665 ( -3.616 -4.981 -0.384) 6.167 6.823 ( 8.019 0.702 -4.761) 9.352 6.976 ( 1.989 5.537 3.753) 6.978 7.127 ( 4.538 5.264 2.763) 7.479 7.252 ( 1.185 3.115 -1.589) 3.692 7.797 ( -1.163 2.169 0.065) 2.462 7.970 ( 1.144 -0.069 -6.152) 6.257 8.017 ( 1.719 0.693 2.314) 2.965 8.081 ( 1.856 -1.429 -2.558) 3.468 8.226 ( 4.401 -1.406 4.954) 6.774 8.336 ( 0.475 -1.056 0.037) 1.158 9.570 ( -3.795 -0.123 -3.224) 4.981 9.776 ( 1.256 0.477 2.207) 2.584 10.080 ( -4.165 0.057 -8.876) 9.804 10.368 ( 2.288 -1.022 3.425) 4.244 10.658 ( -5.445 2.279 -7.717) 9.715 10.808 ( -0.374 1.947 -1.782) 2.665 10.893 ( 0.592 0.293 1.851) 1.965 11.081 ( 3.985 -1.832 10.507) 11.386 11.546 ( 0.868 -3.033 -0.401) 3.181 11.586 ( -1.563 -0.274 8.785) 8.927 12.245 ( -0.509 1.154 -11.915) 11.981 12.371 ( 2.401 -0.135 1.733) 2.964 12.541 ( 3.612 -0.203 0.611) 3.669 12.590 ( 0.475 2.075 2.840) 3.549 15.636 ( -1.915 0.564 -1.862) 2.730 15.756 ( -1.108 -1.855 2.271) 3.134 20.078 ( -3.930 -1.377 -1.807) 4.539 20.303 ( 8.458 2.004 2.122) 8.948 24.018 ( 0.342 0.819 -0.102) 0.894 24.098 ( 0.289 -0.465 -0.105) 0.558 24.319 ( -1.617 -0.531 -0.204) 1.714 24.354 ( -1.479 -1.375 0.274) 2.038 24.512 ( 2.848 0.776 -3.607) 4.661 24.657 ( -2.018 -2.075 5.362) 6.093 24.832 ( -2.663 2.297 1.619) 3.872 25.016 ( -0.688 -2.182 0.866) 2.447 25.199 ( 2.188 1.707 -4.431) 5.228 25.343 ( -5.436 0.687 -0.666) 5.520 25.658 ( 1.234 4.770 -1.388) 5.119 26.201 ( 3.355 -3.949 1.989) 5.551 ======================= Grid point 185 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.371 -0.000 5.707) 5.869 1.721 ( 8.291 -0.000 -4.453) 9.411 1.973 ( 6.811 -0.000 2.697) 7.326 2.159 ( -6.811 0.000 3.438) 7.629 2.230 ( 3.964 -0.000 -2.479) 4.676 2.470 ( -2.847 0.000 -0.811) 2.960 2.532 ( 6.818 -0.000 3.914) 7.862 2.630 ( -1.751 0.000 2.293) 2.885 2.759 ( -2.733 0.000 -0.582) 2.794 2.872 ( 3.356 -0.000 3.803) 5.073 2.928 ( 0.723 -0.000 -7.450) 7.485 3.280 ( -10.845 0.000 2.566) 11.145 3.335 ( -7.873 0.000 1.596) 8.033 3.396 ( 13.636 -0.000 -4.109) 14.241 3.621 ( 9.144 -0.000 -4.902) 10.375 3.782 ( 12.156 -0.000 -4.918) 13.113 4.103 ( 0.263 -0.000 -9.120) 9.124 4.195 ( 5.142 -0.000 4.325) 6.719 4.413 ( 0.679 -0.000 -4.320) 4.373 4.452 ( 4.871 -0.000 -1.792) 5.190 4.864 ( -0.740 0.000 -1.613) 1.775 4.902 ( 0.670 -0.000 -1.596) 1.731 5.003 ( -0.486 0.000 10.826) 10.837 5.096 ( -2.517 0.000 3.329) 4.173 5.295 ( -4.711 0.000 5.412) 7.175 5.381 ( -5.953 0.000 0.578) 5.981 5.477 ( 1.221 -0.000 -0.242) 1.244 5.518 ( -10.151 0.000 1.373) 10.243 5.519 ( -3.371 0.000 -1.189) 3.575 5.611 ( 1.326 -0.000 1.089) 1.716 5.834 ( 3.459 -0.000 3.333) 4.804 5.927 ( -2.883 0.000 -0.903) 3.021 6.315 ( 3.360 -0.000 -5.789) 6.693 6.396 ( -3.472 0.000 1.466) 3.769 6.584 ( -0.172 0.000 1.407) 1.417 6.605 ( -8.561 0.000 -1.265) 8.654 6.656 ( -11.834 0.000 3.049) 12.221 6.698 ( 6.118 -0.000 -5.570) 8.273 6.735 ( -11.147 0.000 1.230) 11.215 6.986 ( 2.896 -0.000 6.045) 6.703 7.157 ( 2.007 -0.000 -0.519) 2.073 7.207 ( 8.156 -0.000 -1.478) 8.289 7.852 ( -1.383 0.000 2.074) 2.492 7.953 ( 2.818 -0.000 0.040) 2.818 7.966 ( 1.528 -0.000 -8.810) 8.942 8.070 ( 6.556 -0.000 5.418) 8.504 8.079 ( -2.412 0.000 -1.381) 2.779 8.307 ( -0.068 0.000 -0.006) 0.068 9.660 ( -5.754 0.000 -4.352) 7.214 9.772 ( 0.094 -0.000 3.984) 3.985 10.182 ( -5.943 0.000 -13.574) 14.818 10.317 ( 1.632 -0.000 5.513) 5.749 10.806 ( -5.463 0.000 -8.826) 10.380 10.876 ( -1.855 0.000 -1.502) 2.386 10.887 ( -1.809 0.000 -0.481) 1.872 10.934 ( 6.345 -0.000 19.455) 20.463 11.473 ( 2.676 -0.000 -2.135) 3.423 11.622 ( -2.505 0.000 6.961) 7.398 12.262 ( 1.294 -0.000 -10.901) 10.977 12.295 ( 4.909 -0.000 2.547) 5.530 12.442 ( 6.528 -0.000 -2.134) 6.868 12.585 ( 3.070 -0.000 4.447) 5.403 15.716 ( -4.013 0.000 -3.529) 5.344 15.747 ( -2.170 0.000 3.738) 4.322 20.103 ( -2.129 0.000 -1.385) 2.540 20.186 ( 6.851 -0.000 1.521) 7.017 24.029 ( 0.920 -0.000 -0.928) 1.307 24.063 ( 1.366 -0.000 0.653) 1.514 24.355 ( -2.637 0.000 0.053) 2.637 24.376 ( -3.245 0.000 0.204) 3.251 24.489 ( 0.677 -0.000 -2.821) 2.901 24.669 ( -2.984 0.000 4.418) 5.331 24.930 ( 0.547 -0.000 2.309) 2.373 24.976 ( -3.651 0.000 1.204) 3.845 25.182 ( 4.348 -0.000 -6.161) 7.541 25.487 ( -8.821 0.000 -1.568) 8.959 25.807 ( 0.290 -0.000 0.939) 0.982 25.940 ( 8.992 -0.000 1.514) 9.118 ======================= Grid point 186 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.111 3.434 1.040) 3.589 1.733 ( -5.565 3.527 -6.513) 9.264 1.962 ( -8.465 -6.999 7.066) 13.060 2.047 ( -9.529 -4.101 -4.913) 11.479 2.261 ( -7.126 -1.058 0.321) 7.212 2.389 ( -1.129 -0.253 4.799) 4.937 2.579 ( 5.103 7.822 4.180) 10.233 2.742 ( 5.661 -2.429 7.597) 9.780 2.810 ( 11.800 4.228 -3.931) 13.137 2.970 ( 4.400 -2.553 -7.008) 8.659 3.056 ( 9.535 -9.509 -1.047) 13.507 3.095 ( -7.358 -0.764 -1.019) 7.467 3.251 ( -6.035 -6.054 1.576) 8.692 3.575 ( 5.156 0.008 -2.141) 5.583 3.771 ( 8.142 -0.824 -1.052) 8.251 3.944 ( 7.703 3.088 -3.190) 8.891 4.175 ( 8.487 0.138 -9.136) 12.471 4.276 ( 5.557 3.202 0.544) 6.437 4.450 ( 0.857 -3.443 0.259) 3.558 4.535 ( 4.098 -0.270 -2.368) 4.741 4.750 ( -6.846 4.301 1.180) 8.171 4.899 ( -0.976 1.255 -2.945) 3.347 4.935 ( -0.385 10.505 5.348) 11.795 5.056 ( -3.084 0.288 4.644) 5.582 5.144 ( -5.028 8.908 6.364) 12.047 5.230 ( -9.198 7.597 -0.779) 11.955 5.395 ( -0.280 5.631 0.561) 5.666 5.477 ( -0.005 -7.593 -0.171) 7.595 5.549 ( 1.499 -7.214 -1.643) 7.549 5.754 ( 2.496 -14.332 0.904) 14.576 5.828 ( 0.034 5.176 4.097) 6.601 5.946 ( 0.774 -5.763 -1.366) 5.973 6.297 ( -6.651 1.133 0.435) 6.761 6.355 ( 0.098 -1.870 -2.000) 2.740 6.389 ( -11.550 4.961 2.110) 12.746 6.507 ( -10.754 -2.055 2.418) 11.213 6.532 ( -8.537 -6.177 1.141) 10.599 6.569 ( -2.945 -1.841 -3.172) 4.703 6.829 ( 7.900 0.048 -5.873) 9.844 7.068 ( 5.719 2.899 5.872) 8.695 7.207 ( 3.908 2.046 1.234) 4.580 7.305 ( 3.836 1.770 -1.312) 4.423 7.835 ( -0.063 1.290 1.221) 1.778 7.977 ( 1.675 0.777 -6.233) 6.501 8.001 ( 1.196 -1.550 -3.664) 4.154 8.083 ( 3.506 0.753 0.994) 3.721 8.197 ( 6.189 -1.139 6.570) 9.098 8.318 ( 1.017 -0.572 -0.258) 1.195 9.569 ( -4.410 0.025 -2.615) 5.127 9.780 ( 0.689 0.015 2.020) 2.134 10.084 ( -4.519 0.203 -10.932) 11.831 10.351 ( 1.842 -0.528 3.863) 4.312 10.695 ( -5.653 1.137 -8.761) 10.488 10.849 ( -0.099 2.079 -1.306) 2.457 10.883 ( 0.262 -1.202 -0.038) 1.231 11.053 ( 4.975 -0.840 14.335) 15.197 11.506 ( 0.858 -0.959 -2.346) 2.676 11.578 ( -3.143 -0.347 10.079) 10.563 12.261 ( -0.114 0.414 -12.102) 12.109 12.366 ( 3.248 -0.237 2.184) 3.921 12.545 ( 5.813 0.317 -1.290) 5.963 12.621 ( 1.291 0.906 4.590) 4.854 15.648 ( -3.148 0.555 -2.551) 4.090 15.720 ( -2.123 -1.363 2.997) 3.918 20.059 ( -3.222 -0.493 -2.258) 3.965 20.334 ( 10.864 0.902 2.641) 11.216 24.038 ( 0.671 0.931 -0.698) 1.343 24.085 ( 0.557 -0.687 0.518) 1.025 24.312 ( -2.599 -0.059 0.036) 2.600 24.325 ( -2.881 -1.159 0.149) 3.109 24.522 ( 3.429 0.236 -3.795) 5.120 24.630 ( -2.322 -0.643 4.959) 5.513 24.887 ( -2.758 3.238 1.743) 4.596 24.959 ( -1.444 -3.399 1.212) 3.887 25.232 ( 2.592 1.226 -5.263) 5.994 25.348 ( -7.295 -0.105 -0.802) 7.340 25.773 ( -0.099 5.230 -0.817) 5.295 26.104 ( 6.228 -4.523 2.285) 8.029 ======================= Grid point 187 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -9.648 6.279 -6.445) 13.193 1.566 ( -6.971 -0.552 -0.799) 7.039 1.800 ( -15.517 -7.339 -3.435) 17.505 1.986 ( -9.344 -11.021 1.641) 14.542 2.110 ( -7.866 0.250 7.298) 10.733 2.471 ( 0.765 -7.237 8.464) 11.162 2.550 ( -3.241 2.137 -1.416) 4.132 2.732 ( -5.334 -1.026 3.931) 6.705 2.888 ( 6.283 7.581 -5.729) 11.391 2.930 ( -4.581 1.555 4.441) 6.567 3.186 ( -0.641 -3.166 -5.620) 6.483 3.276 ( 6.343 -3.563 -6.320) 9.637 3.370 ( 8.134 -5.557 -1.031) 9.905 3.545 ( -3.122 -6.758 1.550) 7.604 3.866 ( 0.940 3.888 -2.180) 4.555 3.991 ( 3.096 -2.594 0.238) 4.046 4.271 ( 6.448 8.357 -0.493) 10.567 4.301 ( 0.664 2.447 -3.759) 4.535 4.433 ( -4.180 3.868 2.188) 6.101 4.595 ( 5.696 4.919 -2.659) 7.982 4.666 ( 2.054 2.347 -2.232) 3.835 4.823 ( 2.403 7.689 -0.024) 8.056 4.845 ( -2.904 6.098 -0.455) 6.770 5.025 ( -0.090 2.563 3.957) 4.716 5.061 ( 4.952 13.240 1.315) 14.197 5.084 ( 4.584 -0.565 1.307) 4.800 5.369 ( 0.803 0.638 3.340) 3.494 5.582 ( 2.673 -7.665 -1.805) 8.316 5.688 ( 2.532 -10.934 -0.676) 11.244 5.779 ( 0.388 3.121 2.661) 4.120 5.916 ( -0.687 -6.403 2.174) 6.796 6.011 ( 0.421 -3.562 -1.114) 3.756 6.150 ( -6.861 0.482 -0.496) 6.896 6.210 ( -5.941 -0.812 0.750) 6.043 6.325 ( -10.486 -2.389 2.524) 11.047 6.377 ( -2.541 -6.896 4.350) 8.540 6.555 ( -1.432 -5.946 -2.749) 6.705 6.596 ( 3.983 -7.940 -2.360) 9.191 6.924 ( 3.783 1.615 -5.552) 6.910 7.110 ( 3.282 4.405 4.393) 7.034 7.225 ( 1.068 3.431 1.811) 4.024 7.314 ( 2.057 4.227 -0.593) 4.739 7.816 ( 0.039 3.086 0.320) 3.102 7.987 ( 0.976 1.061 -4.330) 4.564 8.028 ( 0.953 -1.231 -3.268) 3.620 8.148 ( 4.861 2.088 1.361) 5.463 8.285 ( 1.910 -0.591 1.742) 2.652 8.354 ( 3.047 -0.078 2.596) 4.004 9.517 ( -1.854 -0.535 -0.956) 2.153 9.799 ( 1.260 -0.190 -1.377) 1.876 10.004 ( -4.119 -0.084 -7.048) 8.164 10.403 ( 2.872 -1.603 3.459) 4.773 10.591 ( -4.055 1.663 -5.788) 7.260 10.828 ( 0.242 2.145 -0.314) 2.181 10.913 ( 2.124 -0.555 -0.694) 2.303 11.124 ( 1.329 -0.917 5.464) 5.697 11.514 ( -1.668 -2.104 -1.062) 2.887 11.561 ( -0.736 -1.485 13.478) 13.580 12.229 ( -1.468 1.464 -12.095) 12.271 12.411 ( 1.870 0.384 1.907) 2.698 12.601 ( 0.406 3.122 3.931) 5.037 12.628 ( 2.674 1.806 -0.438) 3.256 15.604 ( -1.687 -0.513 -1.811) 2.528 15.715 ( -1.000 -3.101 2.332) 4.007 20.003 ( -3.722 -0.559 -1.986) 4.256 20.523 ( 13.724 4.127 3.421) 14.733 24.031 ( -0.096 1.257 -0.057) 1.262 24.087 ( -1.120 -0.299 -0.170) 1.172 24.283 ( -1.214 -1.401 -0.215) 1.866 24.307 ( -1.660 -2.649 0.482) 3.163 24.582 ( 4.382 0.903 -3.721) 5.819 24.614 ( -1.161 -1.236 4.268) 4.592 24.815 ( -2.246 2.520 0.999) 3.520 24.968 ( -1.557 -3.482 0.537) 3.852 25.238 ( 0.285 0.787 -1.939) 2.112 25.252 ( -4.370 -0.073 -1.135) 4.515 25.707 ( -1.750 4.777 -2.447) 5.646 26.223 ( 3.254 -2.639 2.210) 4.737 ======================= Grid point 196 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -18.246 0.000 -15.364) 23.853 1.575 ( -4.265 0.000 1.466) 4.510 1.741 ( -11.771 0.000 6.785) 13.587 1.817 ( -13.391 0.000 -5.099) 14.329 2.135 ( -6.899 0.000 9.216) 11.512 2.371 ( -1.124 0.000 7.695) 7.776 2.583 ( -7.305 0.000 4.335) 8.495 2.718 ( -8.525 0.000 1.851) 8.724 2.969 ( -5.390 0.000 1.816) 5.688 2.974 ( 1.484 -0.000 -9.235) 9.353 3.153 ( 3.143 -0.000 3.717) 4.868 3.204 ( 13.735 -0.000 -4.701) 14.518 3.301 ( 26.141 -0.000 -12.554) 28.999 3.480 ( -15.858 0.000 5.491) 16.781 3.892 ( 6.875 -0.000 -0.620) 6.903 3.990 ( -4.232 0.000 -1.322) 4.434 4.298 ( -5.348 0.000 -4.323) 6.877 4.370 ( 12.225 -0.000 0.141) 12.225 4.507 ( 7.019 -0.000 7.269) 10.105 4.573 ( -0.410 0.000 -1.395) 1.454 4.704 ( 2.347 -0.000 -2.826) 3.673 4.867 ( -2.218 0.000 -7.517) 7.838 5.007 ( 0.521 -0.000 5.754) 5.778 5.083 ( 6.536 -0.000 -0.221) 6.539 5.153 ( 1.189 -0.000 7.824) 7.914 5.186 ( 1.354 -0.000 -1.946) 2.371 5.435 ( 0.660 -0.000 -2.927) 3.000 5.444 ( 0.414 -0.000 -1.141) 1.214 5.535 ( 1.297 -0.000 2.971) 3.242 5.718 ( 3.588 -0.000 -2.471) 4.356 5.888 ( 0.666 -0.000 2.411) 2.501 5.932 ( 4.822 -0.000 0.659) 4.867 6.178 ( -6.783 0.000 0.431) 6.797 6.214 ( -10.132 0.000 -0.969) 10.178 6.299 ( -8.166 0.000 8.330) 11.666 6.306 ( -11.212 0.000 3.412) 11.719 6.462 ( 3.073 -0.000 -2.166) 3.760 6.531 ( 0.083 -0.000 -4.854) 4.855 6.938 ( 5.180 -0.000 -5.889) 7.843 7.153 ( 1.626 -0.000 4.477) 4.764 7.262 ( 1.109 -0.000 1.656) 1.993 7.358 ( 1.820 -0.000 -0.064) 1.822 7.853 ( 0.512 -0.000 1.016) 1.138 8.005 ( 1.419 -0.000 -3.414) 3.697 8.009 ( 1.526 -0.000 -5.943) 6.136 8.172 ( 5.883 -0.000 1.933) 6.192 8.275 ( 2.123 -0.000 2.031) 2.938 8.353 ( 3.793 -0.000 2.956) 4.808 9.512 ( -2.207 0.000 -0.529) 2.269 9.797 ( 1.223 -0.000 -1.539) 1.966 10.003 ( -4.263 0.000 -8.363) 9.387 10.386 ( 2.217 -0.000 3.588) 4.218 10.609 ( -4.236 0.000 -6.181) 7.493 10.861 ( -0.446 0.000 1.556) 1.619 10.895 ( 2.705 -0.000 -3.643) 4.538 11.117 ( 1.306 -0.000 7.293) 7.409 11.492 ( -1.734 0.000 -3.002) 3.467 11.544 ( -1.125 0.000 15.253) 15.294 12.244 ( -0.920 0.000 -12.092) 12.127 12.413 ( 2.343 -0.000 2.103) 3.148 12.642 ( 5.268 -0.000 -1.102) 5.382 12.642 ( 0.077 -0.000 4.692) 4.693 15.599 ( -2.533 0.000 -2.108) 3.295 15.679 ( -1.985 0.000 2.770) 3.407 19.998 ( -3.559 0.000 -2.431) 4.310 20.566 ( 15.552 -0.000 4.147) 16.096 24.051 ( 0.100 -0.000 -0.688) 0.695 24.079 ( -0.939 0.000 0.534) 1.080 24.270 ( -2.189 0.000 -0.128) 2.193 24.275 ( -2.037 0.000 0.367) 2.070 24.591 ( 4.771 -0.000 -3.931) 6.183 24.601 ( -1.164 0.000 4.071) 4.234 24.863 ( -2.522 0.000 2.134) 3.304 24.911 ( -1.725 0.000 -0.542) 1.808 25.241 ( -5.114 0.000 0.658) 5.156 25.261 ( 0.333 -0.000 -3.940) 3.954 25.767 ( -3.300 0.000 -2.579) 4.188 26.185 ( 5.312 -0.000 2.584) 5.907 ======================= Grid point 197 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -20.675 -1.395 -12.661) 24.284 1.379 ( -18.821 -4.383 6.786) 20.481 1.564 ( -9.611 0.142 -3.503) 10.230 1.721 ( -3.849 -8.099 4.359) 9.971 1.998 ( -10.129 0.907 7.886) 12.869 2.330 ( -11.631 -1.837 5.013) 12.798 2.384 ( -16.099 -5.977 4.682) 17.800 2.555 ( -10.640 -2.822 1.013) 11.055 2.863 ( -7.764 3.562 -5.688) 10.262 2.913 ( -6.472 -2.207 -10.407) 12.452 3.121 ( -17.481 -0.352 7.050) 18.852 3.215 ( 0.364 -2.731 1.768) 3.274 3.426 ( 10.310 7.460 -6.085) 14.106 3.684 ( 6.710 -2.653 -6.280) 9.566 3.902 ( 5.250 1.407 0.463) 5.455 4.023 ( 7.056 -2.982 -0.435) 7.672 4.203 ( -2.339 -2.310 -3.961) 5.147 4.450 ( 0.715 9.008 9.368) 13.016 4.524 ( 2.258 3.726 2.501) 5.024 4.631 ( 3.151 -0.240 4.028) 5.120 4.843 ( 2.736 1.160 -8.216) 8.737 4.866 ( 13.756 1.137 -9.007) 16.482 4.990 ( 3.242 9.427 -0.368) 9.975 5.139 ( 6.254 12.771 7.001) 15.850 5.212 ( 9.552 2.216 1.375) 9.902 5.316 ( 9.800 -0.875 -0.297) 9.843 5.410 ( 1.620 8.810 0.097) 8.958 5.532 ( 2.280 -12.377 0.233) 12.587 5.611 ( 2.836 -10.904 -0.895) 11.302 5.788 ( 1.803 0.503 -5.495) 5.805 5.915 ( 0.289 1.698 3.179) 3.616 5.999 ( -0.643 2.731 1.228) 3.063 6.066 ( -0.198 -2.325 1.219) 2.633 6.101 ( -6.435 -1.990 -0.978) 6.806 6.167 ( -4.984 -3.657 2.455) 6.652 6.250 ( -2.114 -8.608 6.737) 11.133 6.485 ( -1.386 -3.586 -0.329) 3.858 6.616 ( 6.309 -5.541 -4.041) 9.319 6.964 ( -1.245 1.881 -5.297) 5.757 7.134 ( -3.407 0.956 3.118) 4.717 7.247 ( -1.980 1.632 2.383) 3.501 7.392 ( 3.931 1.966 1.822) 4.758 7.831 ( -2.078 2.210 -1.519) 3.393 8.016 ( 1.013 1.593 -2.950) 3.502 8.036 ( 1.656 -0.760 -5.970) 6.241 8.252 ( 3.491 2.367 1.386) 4.440 8.288 ( 0.522 -0.804 -0.790) 1.242 8.421 ( 3.332 0.543 4.332) 5.492 9.496 ( -0.104 -0.554 1.375) 1.486 9.799 ( -1.620 -0.081 -9.072) 9.216 9.944 ( -1.350 -0.145 0.863) 1.609 10.433 ( 2.182 -1.534 3.890) 4.717 10.552 ( -1.491 0.631 -1.989) 2.565 10.854 ( 0.847 1.488 1.482) 2.264 10.954 ( 3.834 -1.249 -4.171) 5.801 11.107 ( -2.256 -0.337 2.027) 3.051 11.445 ( -4.306 -1.244 -2.510) 5.137 11.572 ( 1.706 -0.952 16.502) 16.618 12.213 ( -0.651 1.334 -10.834) 10.935 12.444 ( 1.320 0.755 2.009) 2.520 12.620 ( -1.647 3.235 3.937) 5.355 12.704 ( 3.072 2.249 -0.570) 3.850 15.570 ( -1.149 -1.136 -1.329) 2.092 15.666 ( -1.243 -3.120 1.873) 3.846 19.939 ( -3.169 -0.243 -0.115) 3.180 20.835 ( 17.450 4.211 5.788) 18.861 24.034 ( -1.146 1.152 0.136) 1.631 24.056 ( -2.087 -0.428 -0.218) 2.141 24.255 ( -0.608 -1.329 -0.189) 1.473 24.258 ( -0.905 -2.092 0.430) 2.319 24.600 ( 0.768 -0.239 1.874) 2.040 24.667 ( 4.642 0.249 -2.972) 5.517 24.813 ( -1.250 3.175 0.925) 3.536 24.904 ( -1.583 -3.968 -0.370) 4.288 25.178 ( -2.957 0.012 0.877) 3.084 25.242 ( -1.517 0.212 -1.793) 2.358 25.673 ( -5.960 1.858 -3.917) 7.370 26.263 ( 2.911 -0.399 1.229) 3.185 ======================= Grid point 207 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -16.923 0.000 -3.904) 17.367 1.002 ( -22.439 0.000 10.044) 24.585 1.331 ( -12.482 0.000 -2.788) 12.790 1.711 ( -7.886 0.000 15.732) 17.598 1.797 ( -3.653 0.000 -9.460) 10.141 1.855 ( -38.157 0.000 10.868) 39.674 2.146 ( -12.724 0.000 9.338) 15.783 2.388 ( -7.022 0.000 0.441) 7.036 2.683 ( -11.917 0.000 -8.782) 14.803 2.684 ( -17.636 0.000 -9.980) 20.264 2.970 ( -3.915 0.000 3.064) 4.971 3.119 ( -7.537 0.000 -0.510) 7.554 3.627 ( 7.830 -0.000 -8.659) 11.674 3.658 ( -2.079 0.000 -3.328) 3.924 3.967 ( -0.729 0.000 4.903) 4.957 4.180 ( 10.872 -0.000 0.979) 10.916 4.349 ( 19.340 -0.000 -9.974) 21.761 4.468 ( -3.541 0.000 9.559) 10.193 4.595 ( 4.162 -0.000 5.415) 6.829 4.663 ( -0.303 0.000 0.197) 0.362 4.913 ( 5.740 -0.000 -3.367) 6.654 5.108 ( 11.528 -0.000 -5.655) 12.841 5.112 ( 6.662 -0.000 -3.922) 7.730 5.323 ( 0.432 -0.000 0.679) 0.804 5.415 ( 12.157 -0.000 10.423) 16.014 5.423 ( -2.484 0.000 5.385) 5.930 5.438 ( 4.349 -0.000 -6.843) 8.108 5.501 ( 2.399 -0.000 -2.487) 3.455 5.633 ( 11.357 -0.000 -2.909) 11.724 5.854 ( 0.811 -0.000 2.275) 2.415 5.917 ( -5.818 0.000 -5.018) 7.683 5.927 ( -9.197 0.000 -2.451) 9.518 6.012 ( 5.990 -0.000 -3.338) 6.858 6.140 ( 6.245 -0.000 4.978) 7.986 6.180 ( 7.283 -0.000 -0.700) 7.316 6.196 ( 3.576 -0.000 10.276) 10.881 6.438 ( -1.182 0.000 0.703) 1.375 6.684 ( 4.931 -0.000 -3.455) 6.021 6.889 ( -8.373 0.000 -4.141) 9.341 7.035 ( -8.716 0.000 2.734) 9.135 7.196 ( -5.318 0.000 1.272) 5.468 7.495 ( 6.354 -0.000 3.900) 7.455 7.761 ( -8.550 0.000 -9.658) 12.899 8.032 ( -0.224 0.000 -1.694) 1.709 8.057 ( 2.017 -0.000 -8.912) 9.137 8.259 ( -1.300 0.000 -2.372) 2.705 8.335 ( 2.866 -0.000 1.620) 3.292 8.467 ( 1.076 -0.000 3.282) 3.454 9.501 ( 0.778 -0.000 3.372) 3.460 9.732 ( -3.176 0.000 -6.394) 7.140 9.981 ( 5.137 -0.000 9.370) 10.685 10.451 ( 0.281 -0.000 4.566) 4.575 10.554 ( 1.564 -0.000 3.122) 3.492 10.899 ( 3.733 -0.000 2.812) 4.673 10.978 ( -0.114 0.000 -6.082) 6.084 11.101 ( 2.613 -0.000 2.178) 3.402 11.348 ( -6.010 0.000 -2.253) 6.418 11.601 ( 0.163 -0.000 12.494) 12.495 12.221 ( 1.741 -0.000 -7.409) 7.610 12.473 ( 1.226 -0.000 2.037) 2.377 12.612 ( -2.383 0.000 1.741) 2.951 12.751 ( 0.631 -0.000 0.385) 0.739 15.545 ( -0.608 0.000 -0.341) 0.697 15.625 ( -1.577 0.000 0.790) 1.764 19.913 ( 1.339 -0.000 8.765) 8.866 21.151 ( 15.020 -0.000 8.854) 17.435 24.014 ( -2.099 0.000 -0.042) 2.100 24.018 ( -1.579 0.000 0.003) 1.579 24.238 ( -0.349 0.000 -0.128) 0.371 24.244 ( 0.123 -0.000 0.185) 0.222 24.641 ( 4.273 -0.000 -1.149) 4.425 24.730 ( 2.675 -0.000 -0.843) 2.805 24.841 ( 1.043 -0.000 2.479) 2.690 24.848 ( -0.733 0.000 -2.574) 2.677 25.155 ( -0.491 0.000 0.838) 0.971 25.194 ( -3.368 0.000 -1.154) 3.560 25.547 ( -9.111 0.000 -4.931) 10.360 26.292 ( -0.448 0.000 -4.369) 4.392 ======================= Grid point 208 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 8.290 -0.000 -19.532) 21.219 0.808 ( -8.290 0.000 19.532) 21.219 1.089 ( 6.291 -0.000 -21.970) 22.852 1.089 ( -6.291 0.000 21.970) 22.852 1.746 ( -8.225 0.000 -23.691) 25.079 1.746 ( 8.225 -0.000 23.691) 25.079 1.975 ( -0.838 0.000 -7.149) 7.198 1.975 ( 0.838 -0.000 7.149) 7.198 2.532 ( -1.991 0.000 -6.834) 7.118 2.532 ( 1.991 -0.000 6.834) 7.118 2.634 ( -3.073 0.000 -13.022) 13.379 2.634 ( 3.073 -0.000 13.022) 13.379 3.686 ( 5.311 -0.000 -8.152) 9.729 3.686 ( -5.311 0.000 8.152) 9.729 4.174 ( -2.922 0.000 -8.483) 8.972 4.174 ( 2.922 -0.000 8.483) 8.972 4.500 ( 6.540 -0.000 -12.477) 14.088 4.500 ( -6.540 0.000 12.477) 14.088 4.818 ( 6.871 -0.000 -3.479) 7.701 4.818 ( -6.871 0.000 3.479) 7.701 5.148 ( -3.624 0.000 -6.400) 7.354 5.148 ( 3.624 -0.000 6.400) 7.354 5.228 ( -5.594 0.000 0.162) 5.596 5.228 ( 5.594 -0.000 -0.162) 5.596 5.309 ( 6.754 -0.000 -2.472) 7.192 5.309 ( -6.754 0.000 2.472) 7.192 5.642 ( -1.423 0.000 0.065) 1.425 5.642 ( 1.423 -0.000 -0.065) 1.425 5.799 ( -7.262 0.000 -1.010) 7.332 5.799 ( 7.262 -0.000 1.010) 7.332 6.016 ( 1.095 -0.000 -0.816) 1.366 6.016 ( -1.095 0.000 0.816) 1.366 6.114 ( 1.851 -0.000 -6.036) 6.313 6.114 ( -1.851 0.000 6.036) 6.313 6.486 ( -13.690 0.000 -3.663) 14.171 6.486 ( 13.690 -0.000 3.663) 14.171 6.581 ( -0.630 0.000 -7.274) 7.301 6.581 ( 0.630 -0.000 7.274) 7.301 6.825 ( -9.992 0.000 1.616) 10.122 6.825 ( 9.992 -0.000 -1.616) 10.122 6.846 ( -6.537 0.000 -0.326) 6.545 6.846 ( 6.537 -0.000 0.326) 6.545 7.847 ( -0.031 0.000 -12.187) 12.187 7.847 ( 0.031 -0.000 12.187) 12.187 8.123 ( -1.641 0.000 -5.009) 5.271 8.123 ( 1.641 -0.000 5.009) 5.271 8.429 ( -2.347 0.000 -1.587) 2.833 8.429 ( 2.347 -0.000 1.587) 2.833 9.670 ( 0.047 -0.000 -7.518) 7.518 9.670 ( -0.047 0.000 7.518) 7.518 10.425 ( 6.603 -0.000 -3.086) 7.289 10.425 ( -6.603 0.000 3.086) 7.289 10.942 ( 2.146 -0.000 -4.385) 4.882 10.942 ( -2.146 0.000 4.385) 4.882 11.179 ( 0.258 -0.000 -0.450) 0.519 11.179 ( -0.258 0.000 0.450) 0.519 11.517 ( -16.161 0.000 1.017) 16.193 11.517 ( 16.161 -0.000 -1.017) 16.193 12.365 ( -7.711 0.000 -2.138) 8.002 12.365 ( 7.711 -0.000 2.138) 8.002 12.646 ( -5.277 0.000 -2.587) 5.877 12.646 ( 5.277 -0.000 2.587) 5.877 15.564 ( -0.650 0.000 -1.024) 1.213 15.564 ( 0.650 -0.000 1.024) 1.213 21.232 ( -31.334 0.000 0.294) 31.336 21.232 ( 31.334 -0.000 -0.294) 31.336 23.982 ( 0.179 -0.000 -0.489) 0.521 23.982 ( -0.179 0.000 0.489) 0.521 24.240 ( -0.237 0.000 -0.348) 0.421 24.240 ( 0.237 -0.000 0.348) 0.421 24.773 ( 0.982 -0.000 -0.353) 1.044 24.773 ( -0.982 0.000 0.353) 1.044 24.884 ( -2.489 0.000 -0.240) 2.501 24.884 ( 2.489 -0.000 0.240) 2.501 25.186 ( -1.434 0.000 -1.050) 1.778 25.186 ( 1.434 -0.000 1.050) 1.778 25.369 ( -23.697 0.000 -1.368) 23.736 25.369 ( 23.697 -0.000 1.368) 23.736 ======================= Grid point 210 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.415 -17.009 7.898) 18.758 1.029 ( 14.648 -6.407 -17.681) 23.837 1.242 ( 14.260 -3.375 10.031) 17.758 1.338 ( 13.832 -8.881 -13.249) 21.112 1.743 ( 10.469 -4.314 -15.857) 19.485 1.934 ( 8.198 -2.477 9.435) 12.742 2.025 ( 6.498 -1.725 6.040) 9.038 2.087 ( 7.735 -7.949 16.194) 19.628 2.427 ( -4.164 -0.165 -7.342) 8.442 2.533 ( 3.103 -6.382 -9.981) 12.246 2.805 ( 10.855 -0.713 8.618) 13.878 2.850 ( 17.972 -4.064 0.194) 18.426 3.549 ( -6.635 7.655 5.457) 11.507 3.702 ( 2.233 6.981 -10.682) 12.955 4.099 ( -3.826 2.022 -5.306) 6.847 4.220 ( 1.850 -0.594 6.914) 7.182 4.365 ( -10.438 0.516 13.533) 17.099 4.548 ( 1.510 3.456 -8.476) 9.278 4.639 ( -10.601 3.361 4.083) 11.847 4.800 ( -6.960 2.531 -7.091) 10.253 5.012 ( -6.633 9.428 2.114) 11.720 5.107 ( -4.564 3.566 -1.580) 6.004 5.130 ( -1.704 9.475 0.370) 9.634 5.229 ( 4.704 1.531 6.718) 8.343 5.382 ( 2.197 -3.282 3.329) 5.166 5.445 ( 2.298 -6.652 -6.901) 9.857 5.598 ( -1.012 0.411 -4.344) 4.480 5.672 ( -3.926 5.143 -2.086) 6.799 5.716 ( 5.324 0.469 3.655) 6.475 5.866 ( -2.584 -0.658 1.126) 2.894 5.905 ( -11.707 0.570 -7.684) 14.015 5.984 ( -6.334 -8.095 -1.807) 10.436 6.064 ( -4.011 -7.073 2.736) 8.579 6.155 ( 2.503 -1.937 6.578) 7.300 6.332 ( -7.725 6.853 -4.407) 11.228 6.464 ( -9.756 -1.754 -0.517) 9.926 6.526 ( -3.510 -1.161 0.156) 3.700 6.629 ( 1.028 -4.597 4.017) 6.191 6.751 ( -3.078 -7.142 2.618) 8.206 6.869 ( 14.600 -4.174 0.281) 15.188 6.999 ( 15.952 9.586 1.904) 18.708 7.199 ( 13.870 -7.475 3.562) 16.154 7.811 ( -2.956 0.011 -11.076) 11.463 7.845 ( -1.021 -0.242 11.328) 11.376 8.088 ( -1.428 0.974 -4.753) 5.058 8.151 ( 1.937 0.915 4.142) 4.663 8.393 ( -1.428 0.531 -1.553) 2.176 8.463 ( 1.959 1.479 1.433) 2.842 9.653 ( -1.539 -0.415 -7.408) 7.578 9.669 ( -0.941 -0.926 6.221) 6.359 10.306 ( -7.129 0.747 -1.152) 7.260 10.507 ( 3.565 1.184 -3.729) 5.293 10.896 ( -3.595 -0.419 0.846) 3.717 10.920 ( -4.819 -0.180 -6.539) 8.125 11.140 ( -14.427 -0.330 -3.830) 14.930 11.171 ( -3.595 -0.151 -1.375) 3.852 11.251 ( -0.087 -2.017 -0.581) 2.101 11.695 ( 6.547 -0.749 -2.844) 7.177 12.213 ( -6.747 5.238 0.317) 8.548 12.463 ( 7.368 6.494 2.051) 10.033 12.548 ( -1.685 3.904 -3.965) 5.813 12.677 ( 2.882 7.645 3.526) 8.899 15.566 ( -1.061 -2.697 -0.161) 2.903 15.614 ( 1.598 -5.569 0.644) 5.830 20.609 ( -29.018 6.809 -18.419) 35.038 21.388 ( -1.738 17.525 -2.708) 17.818 23.989 ( 1.070 0.016 0.441) 1.158 23.992 ( 0.966 -0.179 -0.349) 1.043 24.245 ( -0.482 -1.825 0.035) 1.888 24.266 ( 0.243 -3.796 -0.636) 3.856 24.691 ( -6.095 0.261 2.047) 6.435 24.766 ( -0.879 -0.186 -0.358) 0.967 24.819 ( -4.382 1.442 0.406) 4.631 24.916 ( 0.166 -3.245 -0.455) 3.281 25.065 ( 0.902 6.755 1.011) 6.889 25.201 ( -0.376 -2.774 1.714) 3.282 25.367 ( 6.378 -8.469 -1.705) 10.738 25.840 ( 21.611 -3.201 12.348) 25.095 ======================= Grid point 211 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.356 -18.447 -7.268) 19.830 1.353 ( 15.529 -8.116 -10.961) 20.668 1.424 ( 6.267 -4.736 -1.278) 7.958 1.721 ( 13.194 -12.234 8.309) 19.819 1.943 ( 10.599 3.619 -0.910) 11.237 2.137 ( 12.822 -5.900 3.096) 14.450 2.191 ( 8.707 -2.652 1.625) 9.246 2.425 ( 15.331 -10.620 5.822) 19.538 2.494 ( 9.984 -4.985 -0.690) 11.180 2.757 ( 14.256 -8.727 -7.820) 18.454 3.000 ( 11.389 -1.279 1.411) 11.547 3.183 ( 11.875 -5.685 -1.044) 13.207 3.328 ( -6.998 13.579 2.418) 15.466 3.665 ( 4.286 5.743 -7.977) 10.723 3.989 ( -6.404 5.659 1.911) 8.757 4.166 ( -9.962 0.128 5.435) 11.349 4.251 ( -3.961 -2.677 2.516) 5.403 4.424 ( -5.263 8.388 4.996) 11.092 4.511 ( -0.127 6.987 -1.115) 7.077 4.610 ( -7.571 4.250 -2.270) 8.974 4.805 ( -4.374 13.659 0.234) 14.344 4.976 ( -8.546 0.356 1.750) 8.731 4.999 ( -7.954 2.643 0.695) 8.411 5.247 ( -2.187 2.879 2.781) 4.561 5.339 ( -5.368 9.726 -3.326) 11.596 5.391 ( -4.144 6.595 -6.344) 10.046 5.575 ( -7.255 -5.940 -2.093) 9.607 5.651 ( 4.949 7.396 -0.950) 8.950 5.691 ( -1.187 -2.373 0.799) 2.771 5.754 ( -6.360 -5.036 0.059) 8.112 5.859 ( -8.086 -4.113 0.293) 9.077 5.981 ( 4.546 -5.605 -0.232) 7.221 6.090 ( -1.952 -4.363 -0.137) 4.782 6.197 ( -0.224 -4.096 2.605) 4.860 6.206 ( -3.366 -3.507 1.830) 5.194 6.386 ( -1.540 -2.929 -4.667) 5.721 6.548 ( -0.621 -6.792 0.469) 6.836 6.704 ( -3.003 -11.986 4.406) 13.119 6.806 ( 3.304 0.243 2.603) 4.213 7.041 ( 8.080 4.224 -0.779) 9.150 7.192 ( 10.248 2.237 0.628) 10.508 7.377 ( 1.865 0.869 5.030) 5.435 7.765 ( -0.887 -0.790 -6.970) 7.071 7.855 ( 0.886 -1.007 7.950) 8.063 8.048 ( -1.485 1.610 -3.144) 3.831 8.176 ( 1.921 1.532 3.395) 4.191 8.359 ( -1.859 1.242 -1.873) 2.916 8.460 ( 0.394 3.031 1.344) 3.339 9.618 ( -2.534 -0.877 -6.390) 6.930 9.681 ( 0.167 -2.217 4.290) 4.832 10.172 ( -6.783 1.468 -8.508) 10.979 10.505 ( -0.917 2.278 -2.082) 3.219 10.744 ( -10.026 -1.148 -11.680) 15.436 10.877 ( -3.280 -2.155 3.758) 5.433 10.959 ( -5.324 -1.136 -0.045) 5.444 11.131 ( -0.844 1.315 -1.922) 2.477 11.352 ( 5.016 -3.977 1.284) 6.529 11.793 ( 4.986 -0.903 0.605) 5.103 12.054 ( -4.868 6.605 0.050) 8.205 12.481 ( 3.906 7.124 -3.580) 8.878 12.534 ( 3.100 3.349 1.186) 4.716 12.629 ( 0.479 6.935 4.741) 8.414 15.577 ( -1.113 -3.089 -0.130) 3.286 15.699 ( 0.951 -6.137 1.200) 6.325 20.211 ( -11.749 3.021 -17.395) 21.207 21.032 ( -14.659 17.387 6.439) 23.636 24.010 ( 1.358 0.669 0.145) 1.521 24.016 ( 1.812 -0.101 -0.194) 1.826 24.259 ( -0.248 -2.260 0.417) 2.311 24.307 ( -0.625 -4.965 -0.838) 5.074 24.647 ( 0.350 -0.575 -1.861) 1.979 24.710 ( -5.936 1.251 0.946) 6.140 24.765 ( 0.452 0.912 0.247) 1.047 24.963 ( 0.621 -4.768 -1.867) 5.158 25.077 ( 4.541 3.000 1.393) 5.618 25.218 ( -0.884 -2.001 3.032) 3.739 25.547 ( 6.716 -3.101 -4.601) 8.711 26.113 ( 8.941 -0.576 9.833) 13.303 ======================= Grid point 212 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 3.595 -10.377 -6.814) 12.924 1.524 ( 0.103 -5.120 2.503) 5.700 1.672 ( 13.275 -7.693 -4.650) 16.032 2.015 ( 9.406 -13.256 0.306) 16.257 2.119 ( 13.586 3.901 8.966) 16.739 2.283 ( 1.150 -2.759 0.539) 3.037 2.433 ( 10.057 -5.260 0.672) 11.370 2.723 ( 9.008 -0.946 2.454) 9.384 2.755 ( 13.631 -4.435 -4.105) 14.910 2.959 ( 2.856 -1.736 3.614) 4.923 3.131 ( -0.161 7.856 -9.614) 12.417 3.228 ( 4.814 2.820 -1.024) 5.672 3.375 ( 15.868 -7.585 -5.230) 18.348 3.639 ( -12.662 -2.964 9.481) 16.093 3.801 ( -0.349 10.573 -1.786) 10.729 4.109 ( -1.625 -1.756 -2.875) 3.741 4.179 ( -0.565 2.488 4.225) 4.936 4.304 ( 1.708 7.984 0.054) 8.165 4.359 ( -9.957 4.383 -3.562) 11.447 4.548 ( -3.729 16.897 4.066) 17.774 4.633 ( 4.901 2.196 1.107) 5.483 4.765 ( -15.165 -3.265 2.719) 15.749 4.861 ( -5.728 1.439 1.364) 6.062 5.120 ( -4.692 4.191 -4.317) 7.630 5.127 ( -8.703 11.407 -0.053) 14.348 5.258 ( -5.326 -0.502 -2.213) 5.789 5.509 ( -5.719 -4.545 -2.802) 7.824 5.605 ( -0.029 2.711 1.306) 3.010 5.721 ( -0.698 -3.125 7.150) 7.834 5.791 ( -0.639 -4.379 -2.112) 4.904 5.852 ( 6.458 -0.543 -2.107) 6.815 6.098 ( 0.490 -6.650 2.032) 6.971 6.112 ( -0.478 -4.150 -0.962) 4.287 6.198 ( -0.846 -4.085 0.120) 4.173 6.276 ( 5.305 -2.281 -2.620) 6.341 6.443 ( 2.409 -4.708 -1.220) 5.428 6.603 ( -1.508 -6.875 1.554) 7.208 6.753 ( -6.959 -12.962 4.153) 15.287 6.835 ( 2.350 2.780 0.012) 3.640 7.103 ( 3.953 3.904 -0.126) 5.557 7.232 ( -0.243 6.593 -0.325) 6.605 7.314 ( -4.322 2.755 0.284) 5.133 7.772 ( 0.802 0.181 -0.618) 1.029 7.899 ( 2.261 -0.191 2.972) 3.739 8.004 ( -1.569 1.022 -0.589) 1.963 8.185 ( 0.873 2.407 2.140) 3.337 8.298 ( -2.623 2.176 -2.081) 3.993 8.430 ( -0.661 2.496 0.948) 2.751 9.578 ( -2.688 -1.018 -4.946) 5.720 9.721 ( 1.093 -2.514 3.128) 4.159 10.060 ( -3.864 0.723 -8.752) 9.595 10.465 ( -0.871 1.580 1.684) 2.468 10.622 ( -6.598 -2.447 -6.880) 9.841 10.826 ( -3.411 0.437 -0.036) 3.439 10.922 ( -2.227 -1.798 3.015) 4.158 11.134 ( 2.447 0.921 -0.339) 2.637 11.472 ( 4.043 -4.063 1.048) 5.827 11.882 ( 4.209 1.326 10.682) 11.557 11.929 ( -2.667 3.075 -10.366) 11.137 12.463 ( 0.389 3.861 -3.199) 5.029 12.547 ( 3.387 5.668 3.045) 7.271 12.589 ( 0.433 2.575 2.019) 3.300 15.590 ( -0.647 -2.484 -0.147) 2.571 15.761 ( 0.192 -4.317 0.911) 4.416 20.073 ( -2.701 0.479 -10.161) 10.525 20.659 ( -12.673 11.531 6.590) 18.358 24.017 ( 0.572 0.982 0.223) 1.158 24.051 ( 2.206 0.017 -0.281) 2.224 24.282 ( 0.286 -2.048 0.526) 2.134 24.340 ( -0.697 -4.066 -0.112) 4.127 24.597 ( -5.449 1.679 1.554) 5.910 24.692 ( 3.512 -1.330 -4.793) 6.089 24.770 ( 0.807 0.586 0.234) 1.024 25.019 ( 0.963 -3.801 -2.643) 4.729 25.125 ( 1.693 0.476 4.445) 4.781 25.226 ( 0.232 -2.099 1.736) 2.734 25.627 ( 2.898 2.143 -3.671) 5.144 26.215 ( 3.248 -0.020 4.661) 5.681 ======================= Grid point 213 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 4.381 -2.849 -2.594) 5.835 1.561 ( -1.322 -3.312 1.932) 4.056 1.930 ( 9.602 -6.133 0.360) 11.399 2.258 ( 1.390 3.086 0.804) 3.478 2.274 ( 5.721 -7.581 -2.682) 9.869 2.335 ( 7.261 -5.460 2.272) 9.365 2.571 ( 5.092 3.161 5.186) 7.925 2.720 ( -3.011 -0.209 -1.270) 3.274 2.908 ( -6.965 6.200 8.513) 12.627 2.983 ( 4.524 -5.015 -9.429) 11.598 3.127 ( 7.072 2.806 -6.470) 9.988 3.295 ( 5.943 -1.130 -0.036) 6.049 3.474 ( -2.827 0.593 -1.110) 3.094 3.635 ( -5.041 -4.906 3.842) 8.014 3.763 ( 8.553 2.807 -0.754) 9.034 4.031 ( -2.487 11.699 -0.686) 11.980 4.095 ( -7.216 2.166 -0.179) 7.537 4.181 ( -6.574 -5.463 0.618) 8.570 4.297 ( -1.260 12.508 -1.137) 12.623 4.412 ( 9.628 1.759 1.268) 9.870 4.604 ( -6.472 -2.504 -0.084) 6.940 4.719 ( -0.387 5.024 2.111) 5.464 4.780 ( -1.898 0.470 2.535) 3.201 4.916 ( -2.940 2.122 -1.050) 3.775 5.033 ( -3.035 0.028 -1.728) 3.492 5.230 ( 0.001 -2.154 -3.494) 4.104 5.436 ( -6.770 -0.406 0.580) 6.807 5.597 ( 1.122 -0.241 0.738) 1.364 5.761 ( -0.614 -2.977 5.491) 6.276 5.805 ( -0.236 -1.483 0.143) 1.508 5.978 ( 8.060 2.608 -4.396) 9.545 6.117 ( -5.451 -8.417 0.546) 10.043 6.204 ( 6.485 -1.377 0.700) 6.666 6.241 ( 0.985 -4.113 -0.393) 4.247 6.407 ( 8.175 0.113 -3.976) 9.091 6.535 ( 3.024 -5.300 2.156) 6.472 6.624 ( -3.054 -4.862 2.063) 6.100 6.743 ( -3.303 -4.985 1.992) 6.303 6.835 ( -3.245 -2.549 -0.078) 4.128 7.032 ( -5.538 7.502 -1.189) 9.400 7.175 ( 1.391 3.918 1.730) 4.503 7.201 ( -4.520 3.987 -1.821) 6.296 7.774 ( -0.215 0.261 -0.218) 0.402 7.912 ( 0.341 1.867 -0.768) 2.048 8.002 ( 0.647 -2.181 3.320) 4.025 8.139 ( -2.226 3.922 -2.380) 5.099 8.269 ( 1.122 0.708 1.305) 1.861 8.390 ( -1.788 1.375 -0.234) 2.267 9.545 ( -1.713 -0.664 -2.835) 3.378 9.760 ( 0.769 -1.572 1.914) 2.594 10.012 ( -1.200 -0.093 -4.412) 4.573 10.453 ( 0.646 0.961 3.804) 3.976 10.545 ( -4.520 -1.678 -5.352) 7.204 10.772 ( -1.951 0.821 -0.186) 2.125 10.913 ( -0.696 -0.902 1.498) 1.882 11.171 ( 2.098 0.209 0.839) 2.269 11.561 ( 2.122 -2.939 0.541) 3.665 11.833 ( -1.334 4.109 1.884) 4.712 11.975 ( 3.123 -1.725 -2.395) 4.297 12.416 ( -1.098 3.010 -0.723) 3.284 12.552 ( 1.177 1.220 1.738) 2.428 12.583 ( 1.122 2.241 -0.005) 2.506 15.602 ( -0.227 -1.379 -0.076) 1.400 15.794 ( -0.063 -2.140 0.390) 2.176 20.063 ( 1.187 -0.936 -4.790) 5.023 20.400 ( -8.124 6.420 3.857) 11.050 24.014 ( 0.120 0.607 0.122) 0.631 24.084 ( 1.566 0.111 -0.208) 1.583 24.308 ( 0.675 -1.500 0.260) 1.665 24.362 ( -0.435 -2.195 0.190) 2.246 24.505 ( -3.542 1.366 1.105) 3.953 24.765 ( 1.833 -3.248 -4.559) 5.891 24.779 ( 2.344 2.163 0.270) 3.201 25.060 ( 0.737 -1.928 -2.768) 3.453 25.112 ( -2.286 0.548 6.055) 6.496 25.284 ( 2.473 -3.108 0.264) 3.981 25.614 ( 0.148 3.696 -1.938) 4.176 26.252 ( 1.129 -0.052 1.626) 1.981 ======================= Grid point 214 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 0.000 0.000) 0.000 1.553 ( -0.000 0.000 0.000) 0.000 2.094 ( -0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.353 ( -0.000 0.000 0.000) 0.000 2.477 ( -0.000 -0.000 0.000) 0.000 2.570 ( -0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.822 ( -0.000 0.000 -0.000) 0.000 3.028 ( -0.000 0.000 0.000) 0.000 3.198 ( -0.000 0.000 0.000) 0.000 3.348 ( -0.000 0.000 -0.000) 0.000 3.424 ( -0.000 -0.000 -0.000) 0.000 3.668 ( -0.000 -0.000 0.000) 0.000 3.736 ( -0.000 0.000 0.000) 0.000 3.958 ( -0.000 0.000 0.000) 0.000 4.023 ( -0.000 0.000 0.000) 0.000 4.173 ( -0.000 0.000 0.000) 0.000 4.225 ( -0.000 -0.000 0.000) 0.000 4.509 ( -0.000 0.000 0.000) 0.000 4.572 ( -0.000 -0.000 0.000) 0.000 4.628 ( -0.000 0.000 -0.000) 0.000 4.764 ( -0.000 0.000 0.000) 0.000 4.925 ( -0.000 0.000 0.000) 0.000 5.011 ( -0.000 0.000 0.000) 0.000 5.267 ( -0.000 0.000 0.000) 0.000 5.343 ( -0.000 0.000 0.000) 0.000 5.620 ( -0.000 0.000 0.000) 0.000 5.764 ( -0.000 -0.000 0.000) 0.000 5.812 ( -0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 -0.000) 0.000 6.104 ( -0.000 -0.000 0.000) 0.000 6.267 ( -0.000 -0.000 0.000) 0.000 6.287 ( 0.000 0.000 -0.000) 0.000 6.500 ( -0.000 0.000 -0.000) 0.000 6.573 ( -0.000 -0.000 0.000) 0.000 6.704 ( 0.000 -0.000 0.000) 0.000 6.725 ( -0.000 0.000 0.000) 0.000 6.784 ( -0.000 0.000 0.000) 0.000 6.904 ( -0.000 0.000 0.000) 0.000 7.118 ( -0.000 0.000 0.000) 0.000 7.181 ( -0.000 0.000 -0.000) 0.000 7.769 ( -0.000 0.000 -0.000) 0.000 7.902 ( -0.000 0.000 0.000) 0.000 8.045 ( -0.000 -0.000 0.000) 0.000 8.073 ( -0.000 0.000 -0.000) 0.000 8.287 ( -0.000 0.000 0.000) 0.000 8.359 ( -0.000 0.000 -0.000) 0.000 9.533 ( -0.000 0.000 0.000) 0.000 9.776 ( -0.000 0.000 -0.000) 0.000 10.003 ( -0.000 0.000 -0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 10.505 ( -0.000 -0.000 -0.000) 0.000 10.751 ( -0.000 0.000 0.000) 0.000 10.914 ( -0.000 0.000 0.000) 0.000 11.189 ( -0.000 0.000 0.000) 0.000 11.595 ( -0.000 0.000 0.000) 0.000 11.801 ( -0.000 0.000 0.000) 0.000 12.012 ( -0.000 0.000 -0.000) 0.000 12.388 ( -0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 -0.000) 0.000 12.580 ( -0.000 -0.000 0.000) 0.000 15.607 ( -0.000 0.000 -0.000) 0.000 15.804 ( -0.000 0.000 0.000) 0.000 20.089 ( -0.000 0.000 0.000) 0.000 20.289 ( -0.000 0.000 0.000) 0.000 24.012 ( -0.000 0.000 0.000) 0.000 24.097 ( -0.000 0.000 0.000) 0.000 24.325 ( -0.000 0.000 0.000) 0.000 24.369 ( -0.000 0.000 0.000) 0.000 24.466 ( -0.000 0.000 0.000) 0.000 24.779 ( -0.000 -0.000 -0.000) 0.000 24.810 ( -0.000 0.000 0.000) 0.000 25.078 ( -0.000 0.000 0.000) 0.000 25.081 ( 0.000 -0.000 -0.000) 0.000 25.329 ( -0.000 0.000 0.000) 0.000 25.589 ( -0.000 0.000 0.000) 0.000 26.262 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 221 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.456 -0.000 -1.070) 4.583 1.271 ( 18.466 -0.000 -15.638) 24.198 1.421 ( 9.562 -0.000 -10.736) 14.377 1.551 ( 12.891 -0.000 13.742) 18.842 2.002 ( 15.960 -0.000 3.597) 16.360 2.057 ( 11.017 -0.000 -10.935) 15.523 2.191 ( 6.754 -0.000 16.367) 17.706 2.241 ( 17.233 -0.000 0.153) 17.233 2.491 ( 12.613 -0.000 6.027) 13.979 2.658 ( 16.571 -0.000 -11.794) 20.340 2.985 ( 11.401 -0.000 2.219) 11.615 3.115 ( 13.518 -0.000 -0.626) 13.532 3.488 ( -6.057 0.000 3.018) 6.767 3.741 ( -0.886 0.000 -9.211) 9.254 4.021 ( -8.940 0.000 3.168) 9.485 4.164 ( -8.656 0.000 4.197) 9.620 4.199 ( -4.956 0.000 -0.789) 5.019 4.531 ( -3.821 0.000 8.949) 9.731 4.542 ( -2.834 0.000 0.081) 2.835 4.727 ( -3.712 0.000 -5.282) 6.456 4.947 ( -14.451 0.000 10.014) 17.581 4.965 ( -7.510 0.000 -6.236) 9.762 5.122 ( -3.672 0.000 -2.395) 4.384 5.289 ( 0.738 -0.000 4.192) 4.256 5.375 ( -0.246 0.000 -1.543) 1.563 5.437 ( 0.738 -0.000 -0.202) 0.765 5.558 ( -3.753 0.000 -6.997) 7.940 5.638 ( -9.749 0.000 -2.704) 10.117 5.638 ( -14.686 0.000 -9.951) 17.740 5.793 ( -8.296 0.000 6.333) 10.437 5.805 ( 6.361 -0.000 5.469) 8.389 5.914 ( 7.431 -0.000 -0.683) 7.463 6.021 ( 0.768 -0.000 -2.905) 3.005 6.137 ( -5.936 0.000 3.136) 6.714 6.198 ( -6.204 0.000 -0.979) 6.281 6.404 ( -1.605 0.000 4.098) 4.401 6.415 ( 1.172 -0.000 -8.269) 8.351 6.542 ( -5.493 0.000 9.986) 11.397 6.834 ( 6.440 -0.000 0.716) 6.479 7.071 ( 9.982 -0.000 -1.073) 10.039 7.230 ( 6.794 -0.000 -2.162) 7.129 7.388 ( 8.293 -0.000 11.293) 14.010 7.757 ( -0.133 0.000 -10.079) 10.080 7.841 ( -0.090 0.000 10.971) 10.971 8.065 ( -1.515 0.000 -4.216) 4.480 8.190 ( 1.749 -0.000 3.593) 3.996 8.371 ( -1.609 0.000 -2.005) 2.570 8.494 ( 0.278 -0.000 0.950) 0.990 9.610 ( -2.426 0.000 -6.798) 7.218 9.657 ( -0.011 0.000 4.450) 4.450 10.189 ( -6.884 0.000 -7.158) 9.931 10.530 ( -1.156 0.000 -2.687) 2.925 10.729 ( -12.328 0.000 -13.052) 17.954 10.851 ( -2.183 0.000 5.850) 6.244 10.951 ( -4.923 0.000 -2.494) 5.519 11.153 ( -0.050 0.000 -2.794) 2.794 11.305 ( 5.100 -0.000 2.233) 5.567 11.782 ( 5.136 -0.000 -1.533) 5.360 12.121 ( -6.591 0.000 -0.723) 6.631 12.535 ( -1.135 0.000 -3.555) 3.731 12.595 ( 4.473 -0.000 2.573) 5.160 12.717 ( -2.318 0.000 3.966) 4.593 15.547 ( -0.183 0.000 -0.496) 0.529 15.621 ( 2.578 -0.000 0.993) 2.763 20.245 ( -14.625 0.000 -19.176) 24.117 21.231 ( -21.633 0.000 3.118) 21.857 24.014 ( 1.931 -0.000 -0.081) 1.932 24.018 ( 1.935 -0.000 -0.034) 1.935 24.235 ( 0.093 -0.000 0.089) 0.129 24.246 ( 0.057 -0.000 0.022) 0.061 24.641 ( 0.025 -0.000 -1.546) 1.547 24.716 ( -5.208 0.000 0.442) 5.227 24.800 ( 0.863 -0.000 2.010) 2.188 24.894 ( 0.230 -0.000 -2.752) 2.762 25.146 ( 1.193 -0.000 3.296) 3.505 25.170 ( 1.303 -0.000 -0.702) 1.480 25.509 ( 11.673 -0.000 -1.880) 11.824 26.102 ( 9.350 -0.000 11.468) 14.797 ======================= Grid point 222 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 10.714 -8.932 0.968) 13.983 1.535 ( 4.970 6.082 0.836) 7.899 1.575 ( 16.366 -2.183 -10.374) 19.500 1.747 ( 7.614 -12.693 0.807) 14.823 2.210 ( 13.406 4.604 7.797) 16.178 2.292 ( 5.545 2.884 6.740) 9.192 2.323 ( 13.583 -5.115 -2.330) 14.700 2.522 ( 8.891 -9.975 -1.922) 13.500 2.775 ( 18.955 1.114 2.011) 19.094 2.938 ( 10.697 -0.391 -5.907) 12.226 3.213 ( 4.213 0.899 -1.423) 4.537 3.254 ( 9.758 -3.814 -2.541) 10.781 3.361 ( -0.492 7.042 -2.740) 7.573 3.562 ( -19.695 -3.004 5.475) 20.661 3.932 ( -0.329 2.029 -2.559) 3.282 4.068 ( -8.025 -1.258 -5.230) 9.661 4.153 ( 3.790 -1.661 0.767) 4.209 4.486 ( 2.313 7.052 5.835) 9.440 4.539 ( -12.555 7.960 1.449) 14.936 4.586 ( 4.269 -1.140 7.149) 8.404 4.715 ( -11.381 -0.807 6.284) 13.025 4.809 ( -9.067 2.511 -5.435) 10.865 5.029 ( -1.021 13.002 -2.491) 13.278 5.211 ( -6.331 2.886 1.978) 7.233 5.288 ( -9.427 8.894 -6.351) 14.433 5.320 ( -8.643 -0.767 -3.576) 9.385 5.453 ( -0.403 0.500 -4.314) 4.361 5.554 ( -6.200 -11.110 -2.438) 12.954 5.612 ( -2.775 -3.555 1.995) 4.932 5.673 ( -0.796 -1.871 3.011) 3.634 5.908 ( 7.470 3.562 2.894) 8.767 5.974 ( -4.411 -2.299 3.585) 6.132 6.044 ( -1.432 -3.854 3.442) 5.361 6.085 ( 1.915 -7.450 0.224) 7.696 6.250 ( 9.048 0.067 -6.284) 11.016 6.399 ( 1.389 1.359 0.275) 1.963 6.471 ( 0.309 -4.578 0.245) 4.594 6.514 ( -3.063 -9.154 2.194) 9.899 6.887 ( 0.671 1.422 1.598) 2.242 7.170 ( 3.705 2.151 -0.934) 4.385 7.297 ( 1.730 0.715 -2.263) 2.937 7.391 ( -3.830 3.305 3.610) 6.215 7.798 ( 3.541 2.084 -0.926) 4.212 7.872 ( 1.914 -2.028 6.314) 6.902 8.028 ( -2.116 0.854 -2.687) 3.526 8.215 ( 1.172 0.694 3.423) 3.684 8.326 ( -3.288 0.649 -2.989) 4.491 8.471 ( -2.028 1.290 0.223) 2.414 9.566 ( -2.147 -0.225 -5.279) 5.703 9.681 ( 1.653 -1.184 3.917) 4.414 10.074 ( -5.091 0.516 -9.365) 10.672 10.487 ( -2.472 0.460 -0.973) 2.696 10.586 ( -5.158 -0.922 -5.156) 7.351 10.823 ( -2.493 -0.601 5.379) 5.959 10.899 ( -1.888 -0.315 -1.006) 2.162 11.168 ( 3.037 1.670 -2.984) 4.574 11.402 ( 4.395 -2.422 2.040) 5.417 11.866 ( 4.536 -0.748 -4.162) 6.202 12.008 ( -5.149 2.392 1.922) 5.994 12.504 ( -1.552 0.756 -3.700) 4.083 12.640 ( 0.958 3.060 2.910) 4.330 12.649 ( -2.006 2.224 3.614) 4.694 15.555 ( 0.534 -0.864 0.075) 1.018 15.682 ( 2.354 -2.808 0.399) 3.686 20.082 ( -4.233 0.263 -12.096) 12.818 20.840 ( -19.533 5.479 6.244) 21.226 24.037 ( 0.703 0.816 -0.057) 1.079 24.052 ( 2.336 -0.001 0.059) 2.336 24.250 ( 0.921 -0.882 0.216) 1.293 24.264 ( 0.544 -2.740 -0.114) 2.796 24.618 ( -5.767 0.494 1.716) 6.037 24.666 ( 2.088 -0.893 -4.098) 4.685 24.815 ( 2.644 3.183 0.728) 4.201 24.931 ( 1.566 -4.156 -3.300) 5.533 25.148 ( 0.214 1.153 5.306) 5.434 25.204 ( 1.715 -0.525 -0.283) 1.816 25.669 ( 7.391 1.584 -3.539) 8.346 26.195 ( 1.322 -1.244 6.767) 7.006 ======================= Grid point 223 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 11.869 -5.093 6.666) 14.534 1.530 ( 1.556 2.143 0.636) 2.724 1.826 ( 10.791 -4.257 -2.163) 11.801 2.041 ( 10.636 -12.228 -3.009) 16.484 2.301 ( 1.078 3.577 -5.587) 6.721 2.389 ( 10.671 5.517 10.046) 15.660 2.547 ( 7.133 -3.280 4.921) 9.265 2.689 ( -0.458 -6.480 -2.650) 7.016 2.939 ( -0.423 3.856 -0.172) 3.883 2.996 ( -2.681 2.421 -1.703) 3.994 3.170 ( -4.979 -0.389 -5.052) 7.104 3.215 ( 3.165 -4.304 -2.757) 6.012 3.354 ( -5.861 -9.599 1.643) 11.366 3.580 ( 3.781 -0.164 -2.506) 4.539 3.857 ( -0.552 4.797 -1.330) 5.009 3.990 ( -6.478 -4.810 -0.384) 8.078 4.199 ( -14.206 6.222 2.996) 15.795 4.248 ( 2.423 2.302 1.007) 3.491 4.466 ( 1.913 3.775 -0.443) 4.255 4.568 ( -2.157 8.599 1.473) 8.987 4.624 ( -4.838 3.775 4.215) 7.445 4.751 ( 8.259 -0.544 1.757) 8.461 4.864 ( -0.705 10.691 -0.164) 10.716 5.071 ( -8.904 10.232 -0.985) 13.599 5.094 ( -1.359 5.611 -2.592) 6.328 5.205 ( 1.684 0.387 -5.273) 5.549 5.439 ( -1.803 1.682 -3.778) 4.511 5.556 ( -1.778 -4.939 -0.884) 5.323 5.644 ( -3.322 -9.645 3.564) 10.806 5.729 ( 2.026 -4.049 4.571) 6.433 5.950 ( -3.832 -7.470 3.194) 8.982 5.997 ( 0.716 -5.221 -1.328) 5.434 6.107 ( 7.533 -0.811 3.143) 8.202 6.222 ( 7.146 -1.518 0.001) 7.305 6.395 ( 1.092 -5.161 0.480) 5.297 6.422 ( 6.656 0.067 -3.049) 7.321 6.520 ( 0.695 -4.230 1.599) 4.576 6.594 ( 1.730 -7.455 -3.489) 8.411 6.842 ( -4.459 0.869 1.940) 4.940 7.161 ( -1.517 4.208 -1.161) 4.621 7.268 ( -1.861 3.284 -1.796) 4.180 7.280 ( -4.142 4.811 2.864) 6.965 7.801 ( 0.153 2.629 1.172) 2.882 7.928 ( 1.530 -1.552 2.013) 2.967 7.977 ( -2.409 0.541 -0.870) 2.618 8.204 ( -1.937 2.569 -0.954) 3.356 8.270 ( -1.387 -0.592 -0.228) 1.526 8.412 ( -3.399 0.875 -0.815) 3.603 9.539 ( -0.809 -0.060 -3.079) 3.185 9.731 ( 2.076 -1.292 3.204) 4.030 10.006 ( -2.209 -0.367 -5.376) 5.824 10.456 ( -1.279 -0.688 -0.484) 1.531 10.533 ( -1.438 0.482 -0.725) 1.682 10.788 ( -1.973 0.419 2.887) 3.522 10.887 ( -0.641 -1.160 1.358) 1.898 11.203 ( 3.333 2.363 -2.556) 4.819 11.492 ( 2.674 -3.406 0.698) 4.386 11.892 ( -2.747 1.159 -13.266) 13.597 11.959 ( 2.750 0.479 11.019) 11.368 12.461 ( -2.455 1.087 -2.679) 3.793 12.562 ( -3.796 1.088 4.338) 5.866 12.651 ( 1.361 3.022 0.219) 3.322 15.579 ( 1.155 -0.851 0.441) 1.501 15.744 ( 1.823 -2.509 -0.244) 3.110 20.048 ( 0.333 -0.515 -5.845) 5.877 20.516 ( -13.367 4.795 4.288) 14.834 24.031 ( -0.180 0.959 -0.006) 0.976 24.085 ( 1.422 0.020 0.007) 1.422 24.280 ( 1.419 -1.226 0.107) 1.878 24.309 ( 1.256 -2.693 0.209) 2.979 24.526 ( -4.337 0.702 1.582) 4.669 24.710 ( 1.518 -1.963 -4.120) 4.810 24.836 ( 3.722 3.326 -0.632) 5.031 25.002 ( 2.084 -3.658 -3.350) 5.380 25.127 ( -2.086 0.846 6.879) 7.238 25.252 ( 3.588 -0.503 -0.237) 3.631 25.710 ( 2.258 5.374 -2.473) 6.332 26.214 ( -1.623 -3.289 2.864) 4.653 ======================= Grid point 224 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 4.631 2.272 7.170) 8.832 1.555 ( 2.235 0.512 0.725) 2.405 2.051 ( 10.570 -4.723 1.686) 11.699 2.247 ( -3.463 4.542 -0.899) 5.782 2.289 ( 3.149 -11.254 -1.917) 11.842 2.399 ( -0.084 5.506 0.145) 5.508 2.614 ( -2.633 -4.346 -3.146) 5.976 2.663 ( -3.016 3.289 0.025) 4.463 2.883 ( 1.332 2.494 1.301) 3.112 2.948 ( -0.230 -6.071 -0.002) 6.075 3.178 ( -2.288 -3.625 -4.905) 6.514 3.333 ( -2.240 -0.963 4.047) 4.725 3.348 ( -3.570 -8.385 -2.246) 9.386 3.533 ( -0.487 -3.914 -2.410) 4.622 3.743 ( -14.413 -2.350 5.367) 15.558 3.892 ( -5.327 -2.588 -1.943) 6.233 4.071 ( -1.876 -1.602 -0.469) 2.511 4.183 ( -0.743 8.118 -1.979) 8.389 4.431 ( 0.368 10.088 -0.143) 10.095 4.525 ( 1.577 -0.600 -0.410) 1.736 4.562 ( 1.497 3.476 6.556) 7.571 4.783 ( -0.288 6.221 -2.534) 6.723 4.852 ( 4.441 15.618 0.848) 16.260 4.907 ( 1.253 -1.211 -0.854) 1.941 5.080 ( 5.325 5.662 -1.827) 7.984 5.261 ( 3.320 -0.285 -1.720) 3.750 5.369 ( -0.425 2.393 -0.538) 2.489 5.598 ( 0.511 -2.379 -2.902) 3.787 5.674 ( -2.501 -7.762 1.909) 8.376 5.800 ( 1.919 -2.174 3.676) 4.682 5.955 ( -4.077 -5.664 3.563) 7.835 6.068 ( -0.374 -8.450 -1.577) 8.604 6.238 ( 6.600 2.711 1.181) 7.232 6.344 ( 7.592 2.563 -0.312) 8.019 6.412 ( -5.413 -7.695 2.182) 9.658 6.562 ( 5.469 -0.793 -1.702) 5.782 6.627 ( 9.561 -3.113 -2.404) 10.338 6.709 ( 4.892 -4.874 -2.181) 7.242 6.740 ( -6.471 -0.501 2.794) 7.067 7.034 ( -4.263 7.686 -1.875) 8.987 7.164 ( -3.849 4.171 1.087) 5.778 7.210 ( -1.924 2.249 0.602) 3.021 7.776 ( -0.576 1.040 2.705) 2.955 7.918 ( -1.179 1.380 -2.624) 3.191 7.988 ( 0.762 -3.542 3.253) 4.869 8.125 ( -2.953 2.817 -4.535) 6.100 8.271 ( -1.241 -1.366 0.647) 1.956 8.354 ( -2.226 -0.427 -1.114) 2.525 9.538 ( 1.074 0.430 -0.331) 1.203 9.773 ( 1.628 -0.277 1.337) 2.125 9.991 ( -0.400 -0.990 -0.332) 1.119 10.447 ( -1.044 -1.079 -3.816) 4.101 10.529 ( 2.300 1.716 4.580) 5.405 10.762 ( -0.386 0.872 1.803) 2.040 10.895 ( -0.205 -1.425 1.839) 2.335 11.219 ( 1.658 2.559 -3.621) 4.734 11.556 ( 0.887 -3.286 -1.059) 3.565 11.821 ( -2.595 1.490 -5.982) 6.689 12.010 ( 1.590 -0.228 5.010) 5.262 12.400 ( -2.849 0.950 -0.804) 3.109 12.511 ( -3.513 -2.225 2.216) 4.711 12.632 ( -0.167 2.711 -0.505) 2.762 15.607 ( 1.504 -0.028 0.669) 1.646 15.791 ( 1.599 -1.200 -0.723) 2.126 20.076 ( 1.682 -1.055 -1.567) 2.529 20.311 ( -7.025 1.834 1.394) 7.393 24.018 ( -0.371 0.558 -0.068) 0.674 24.095 ( -0.328 -0.179 0.122) 0.393 24.318 ( 1.754 -0.536 -0.130) 1.839 24.353 ( 1.511 -1.421 0.307) 2.097 24.470 ( -1.602 0.335 0.561) 1.731 24.740 ( -0.009 -1.963 -2.376) 3.082 24.861 ( 2.438 3.248 0.297) 4.073 25.057 ( 1.341 -2.033 -2.779) 3.695 25.091 ( -0.830 0.898 3.639) 3.839 25.325 ( 4.112 -0.309 0.804) 4.201 25.654 ( -1.268 6.096 -0.837) 6.282 26.217 ( -2.646 -4.345 0.585) 5.121 ======================= Grid point 225 (97/117) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.768 4.768 8.222) 9.536 1.608 ( 4.729 1.429 -1.730) 5.235 2.042 ( -8.954 4.125 -1.570) 9.983 2.223 ( 0.130 0.200 2.609) 2.619 2.356 ( 2.207 -1.331 0.419) 2.611 2.424 ( -3.232 0.072 -4.199) 5.300 2.520 ( -6.118 3.309 -0.494) 6.973 2.655 ( 3.458 -7.447 -2.849) 8.691 2.840 ( -4.563 0.854 -10.650) 11.618 3.041 ( 2.553 0.234 11.953) 12.225 3.150 ( -5.092 -4.059 -2.134) 6.853 3.173 ( -11.868 -2.705 6.109) 13.620 3.399 ( -1.579 -4.289 0.916) 4.662 3.617 ( -2.132 -13.648 1.423) 13.887 3.671 ( 2.907 -4.053 -2.556) 5.604 3.826 ( -7.026 -4.867 -0.823) 8.587 4.083 ( 1.578 -2.524 -1.960) 3.564 4.143 ( 3.064 2.460 -0.946) 4.042 4.337 ( -2.156 5.611 0.232) 6.015 4.512 ( -0.275 8.207 -0.561) 8.231 4.608 ( 1.847 -2.262 5.012) 5.801 4.697 ( 4.320 5.752 -4.658) 8.570 4.830 ( 4.481 6.930 1.515) 8.390 4.913 ( -0.897 0.982 -1.412) 1.940 5.111 ( 5.219 6.814 -1.457) 8.706 5.279 ( 2.441 2.664 3.321) 4.907 5.440 ( 7.209 0.007 -3.901) 8.196 5.581 ( -3.740 -2.203 -0.980) 4.450 5.741 ( 2.406 -4.311 0.121) 4.938 5.827 ( -0.150 1.244 -1.437) 1.906 5.929 ( -4.046 -2.476 7.054) 8.500 6.135 ( -1.580 -6.873 -0.098) 7.053 6.250 ( -1.486 3.177 -1.845) 3.963 6.334 ( -2.845 3.411 2.128) 4.925 6.433 ( 2.735 2.949 1.445) 4.274 6.560 ( -6.100 -1.154 0.801) 6.260 6.670 ( -0.258 0.274 -2.191) 2.224 6.770 ( 2.458 0.509 -3.615) 4.401 6.880 ( 10.599 -3.414 -0.728) 11.159 6.998 ( 6.823 5.302 0.288) 8.646 7.119 ( 1.957 -2.495 0.323) 3.188 7.149 ( -3.858 0.210 0.995) 3.990 7.773 ( 0.372 -0.105 4.001) 4.020 7.892 ( -0.874 0.196 -2.175) 2.352 8.041 ( -0.243 -0.359 -1.166) 1.244 8.061 ( -0.539 -1.837 -0.933) 2.130 8.244 ( -2.632 -1.727 -1.654) 3.556 8.357 ( 0.383 -1.860 -0.311) 1.924 9.564 ( 2.693 1.077 2.474) 3.813 9.789 ( 0.691 1.200 -0.692) 1.548 10.006 ( 0.884 -0.754 4.082) 4.245 10.436 ( -0.511 -0.516 -4.774) 4.829 10.582 ( 5.056 1.662 6.747) 8.593 10.768 ( 1.943 0.525 1.649) 2.601 10.910 ( 0.489 -1.029 0.967) 1.494 11.201 ( -0.242 2.745 -5.152) 5.843 11.581 ( -0.813 -1.502 -2.328) 2.887 11.771 ( -2.341 -1.209 -5.852) 6.417 12.010 ( -1.395 1.523 6.171) 6.507 12.364 ( -1.808 -1.934 -0.036) 2.648 12.479 ( -4.667 -4.210 0.834) 6.340 12.597 ( -1.268 1.574 -0.846) 2.191 15.628 ( 1.717 1.226 0.829) 2.266 15.820 ( 1.530 0.453 -1.120) 1.949 20.082 ( -1.386 0.846 3.259) 3.641 20.284 ( 2.177 -4.901 -2.772) 6.037 24.008 ( -0.384 0.031 -0.204) 0.435 24.080 ( -1.599 -0.249 0.350) 1.656 24.335 ( 0.575 1.128 -0.328) 1.308 24.387 ( 1.682 0.327 0.012) 1.713 24.479 ( 2.392 -1.080 -0.575) 2.687 24.743 ( -1.607 -1.279 -0.090) 2.056 24.838 ( -0.727 3.750 3.132) 4.940 25.071 ( -0.828 -0.743 1.819) 2.132 25.111 ( 3.111 0.460 -5.474) 6.313 25.367 ( 1.936 4.273 0.599) 4.730 25.584 ( -1.225 1.398 1.487) 2.380 26.210 ( -3.434 -4.279 -0.885) 5.558 ======================= Grid point 226 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 1.887 6.746 10.557) 12.670 1.641 ( 2.358 5.005 0.823) 5.593 1.848 ( -8.377 6.616 -5.800) 12.148 2.090 ( -10.127 4.233 -0.552) 10.990 2.252 ( -10.655 9.244 -6.373) 15.479 2.397 ( 3.238 7.512 -1.506) 8.317 2.442 ( -2.141 -6.930 -1.543) 7.416 2.684 ( -8.080 0.045 0.666) 8.108 2.757 ( -16.113 -4.384 4.717) 17.352 2.954 ( 1.635 -3.313 2.590) 4.512 3.089 ( 0.462 3.797 5.824) 6.968 3.179 ( -5.740 -4.926 -1.383) 7.690 3.469 ( 6.492 -11.923 -4.578) 14.327 3.532 ( -14.045 6.450 4.086) 15.986 3.765 ( 0.904 0.855 -1.224) 1.745 3.889 ( 1.522 -17.636 -0.198) 17.703 4.162 ( -1.515 0.525 -4.828) 5.088 4.215 ( 5.153 -10.833 1.223) 12.058 4.284 ( 4.028 1.499 1.876) 4.689 4.434 ( 4.754 9.620 -0.250) 10.734 4.609 ( -6.186 -2.765 -1.612) 6.965 4.818 ( 9.420 -1.844 -1.991) 9.803 4.866 ( 10.054 4.751 0.128) 11.120 4.941 ( 3.485 -3.544 1.166) 5.105 5.134 ( 4.958 4.009 -1.785) 6.622 5.302 ( 2.588 3.107 0.222) 4.049 5.524 ( 0.075 -3.201 -1.959) 3.753 5.565 ( 0.696 -0.991 2.774) 3.027 5.747 ( -6.424 0.584 -3.031) 7.127 5.822 ( 3.437 0.603 0.458) 3.520 5.890 ( -0.202 1.993 6.227) 6.541 6.103 ( -4.831 -1.452 -0.026) 5.045 6.209 ( -2.965 -2.627 -2.795) 4.848 6.280 ( 2.429 6.920 2.608) 7.784 6.397 ( 2.689 8.926 0.009) 9.322 6.493 ( -3.632 -0.421 -0.068) 3.657 6.648 ( -3.643 -1.802 0.088) 4.065 6.809 ( 3.114 0.633 -2.629) 4.124 6.993 ( 4.440 8.812 -0.820) 9.901 7.057 ( -3.264 0.402 -0.954) 3.424 7.104 ( 4.189 -5.318 0.152) 6.772 7.261 ( 6.643 -3.060 1.702) 7.510 7.784 ( 0.671 0.845 2.377) 2.611 7.880 ( -1.197 -1.290 -1.273) 2.172 8.002 ( -0.689 0.750 -3.271) 3.426 8.116 ( -0.215 -4.567 -0.344) 4.585 8.249 ( 1.379 -2.491 0.452) 2.883 8.381 ( -0.110 -2.318 -1.386) 2.703 9.605 ( 3.279 1.575 4.474) 5.767 9.772 ( -0.218 2.516 -2.282) 3.403 10.048 ( 3.053 -0.587 8.486) 9.038 10.437 ( 0.235 -0.977 -3.372) 3.519 10.665 ( 5.817 1.547 7.603) 9.698 10.822 ( 4.890 0.473 1.934) 5.280 10.942 ( 3.028 0.045 -1.170) 3.247 11.154 ( -1.182 2.779 -4.902) 5.758 11.542 ( -3.262 2.302 -1.440) 4.244 11.765 ( -2.176 -6.479 -12.610) 14.343 11.957 ( -2.572 2.733 10.277) 10.941 12.366 ( -3.000 -5.028 2.168) 6.243 12.434 ( -5.928 -5.507 -1.565) 8.241 12.564 ( -1.842 -0.403 -0.999) 2.134 15.642 ( 2.069 2.563 0.991) 3.440 15.829 ( 1.259 2.326 -1.664) 3.125 20.066 ( 0.612 -0.142 7.246) 7.273 20.432 ( 5.823 -10.677 -5.609) 13.393 24.003 ( -0.501 -0.395 -0.395) 0.750 24.051 ( -2.006 -0.059 0.516) 2.072 24.325 ( 0.543 2.244 -0.681) 2.407 24.402 ( 1.455 1.965 -0.014) 2.445 24.559 ( 4.977 -1.908 -1.173) 5.458 24.706 ( -3.176 0.326 3.216) 4.532 24.798 ( 0.114 2.876 1.296) 3.157 25.052 ( -2.123 -0.107 1.856) 2.822 25.142 ( 1.215 1.391 -5.706) 5.998 25.309 ( -0.661 6.547 -1.146) 6.679 25.593 ( 0.874 -1.124 4.392) 4.617 26.180 ( -4.763 -3.582 -2.880) 6.619 ======================= Grid point 227 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.012 11.832 16.042) 20.333 1.547 ( -8.903 9.553 7.115) 14.870 1.639 ( -2.500 13.480 -11.044) 17.604 1.887 ( -8.688 1.358 -0.180) 8.795 1.964 ( -9.720 9.880 -9.978) 17.078 2.268 ( -18.268 5.458 7.405) 20.453 2.296 ( -5.295 9.666 -9.131) 14.312 2.508 ( -4.814 3.716 7.640) 9.765 2.704 ( -2.495 0.440 -6.952) 7.399 2.946 ( -3.399 8.650 -3.225) 9.837 2.998 ( -10.763 0.090 9.579) 14.409 3.113 ( -1.517 -2.944 1.422) 3.604 3.270 ( -6.255 2.587 2.898) 7.363 3.596 ( -14.826 -0.438 4.273) 15.436 3.790 ( 9.541 -12.055 -6.871) 16.840 4.080 ( 3.885 -13.750 0.349) 14.292 4.183 ( 5.332 -1.554 -7.225) 9.114 4.329 ( 0.349 -2.396 -5.615) 6.114 4.442 ( 1.789 -3.919 5.741) 7.177 4.496 ( 9.021 -7.074 0.956) 11.503 4.558 ( 2.099 -3.268 -0.305) 3.896 4.984 ( 9.296 0.222 -2.662) 9.672 5.060 ( 9.714 -2.068 4.003) 10.708 5.072 ( 4.864 -4.702 -1.204) 6.871 5.206 ( 4.967 -2.016 -3.576) 6.444 5.318 ( 2.635 -1.617 -0.302) 3.106 5.507 ( -7.229 -6.351 2.350) 9.905 5.572 ( -0.200 -1.978 2.124) 2.909 5.717 ( 1.620 -3.263 -2.821) 4.608 5.840 ( 4.699 5.193 5.002) 8.606 5.925 ( 2.927 1.311 1.677) 3.619 6.053 ( -1.108 1.221 1.383) 2.152 6.156 ( -3.192 1.465 0.633) 3.569 6.274 ( 2.995 4.842 -5.035) 7.600 6.380 ( 4.322 9.883 -0.360) 10.793 6.451 ( 2.494 2.508 -0.073) 3.538 6.582 ( -5.680 -0.910 1.532) 5.952 6.825 ( -2.079 -1.324 -0.076) 2.465 6.948 ( -1.383 5.856 2.138) 6.385 6.971 ( -0.556 5.722 -6.489) 8.670 7.168 ( -3.501 -0.895 -0.239) 3.622 7.360 ( 2.466 -0.742 0.696) 2.668 7.789 ( 1.485 1.540 3.063) 3.736 7.864 ( -1.365 -0.304 -3.253) 3.541 8.011 ( 0.987 -1.736 -0.102) 1.999 8.129 ( -2.221 -3.210 -2.434) 4.600 8.322 ( 3.067 -2.407 1.451) 4.160 8.398 ( -0.477 -2.665 -1.953) 3.338 9.644 ( 2.616 1.613 5.592) 6.381 9.735 ( -0.355 3.033 -4.046) 5.069 10.143 ( 6.315 -1.232 10.810) 12.580 10.457 ( 0.180 -2.239 -0.086) 2.247 10.757 ( 5.517 -0.024 9.876) 11.313 10.920 ( 7.510 2.199 0.574) 7.846 11.000 ( 5.491 2.453 -3.923) 7.180 11.128 ( 2.006 1.361 -0.456) 2.467 11.437 ( -4.887 4.133 -0.538) 6.423 11.777 ( -2.832 -5.152 -14.908) 16.026 11.919 ( -2.128 -3.291 8.007) 8.915 12.321 ( -9.760 -7.651 4.063) 13.050 12.427 ( -2.385 -6.949 -2.075) 7.634 12.540 ( -2.564 -2.294 -1.584) 3.788 15.650 ( 2.674 3.843 1.134) 4.817 15.809 ( 0.393 4.384 -2.317) 4.974 20.145 ( 6.577 -3.335 12.978) 14.926 20.664 ( 5.394 -17.739 -8.520) 20.405 23.997 ( -0.731 -0.487 -0.522) 1.022 24.019 ( -1.742 0.143 0.571) 1.839 24.312 ( 1.114 2.911 -0.861) 3.233 24.395 ( 0.777 3.409 0.917) 3.615 24.660 ( 0.137 0.266 1.846) 1.871 24.674 ( 5.242 -1.313 -0.558) 5.433 24.783 ( 0.782 2.082 0.316) 2.247 25.010 ( -3.007 -0.346 1.984) 3.619 25.090 ( -3.149 4.023 -2.185) 5.556 25.260 ( 0.242 2.902 -4.250) 5.152 25.606 ( 0.463 2.616 7.080) 7.562 26.103 ( -7.807 -1.842 -6.691) 10.445 ======================= Grid point 228 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -9.052 15.438 9.508) 20.265 1.280 ( -1.704 17.010 13.802) 21.972 1.418 ( -5.091 14.063 -14.630) 20.921 1.588 ( -12.470 15.065 2.418) 19.706 1.851 ( -2.302 5.392 2.177) 6.254 1.979 ( -8.900 1.884 -12.079) 15.122 2.132 ( -1.020 9.192 2.259) 9.520 2.352 ( -8.267 14.309 6.012) 17.585 2.529 ( 2.303 12.376 -2.938) 12.927 2.720 ( -3.238 11.780 5.120) 13.246 2.836 ( -10.146 2.894 -5.544) 11.918 3.004 ( -16.996 10.821 0.371) 20.152 3.309 ( 7.190 -14.840 -6.159) 17.603 3.494 ( -5.297 -12.752 10.552) 17.379 3.999 ( 4.889 -7.952 3.368) 9.924 4.188 ( -4.585 -5.597 -8.028) 10.807 4.306 ( 5.981 -4.308 -8.374) 11.155 4.413 ( 0.939 -9.554 1.421) 9.705 4.526 ( 8.803 -5.125 -0.685) 10.209 4.698 ( 3.958 -9.618 2.009) 10.592 4.779 ( 11.653 -9.449 5.207) 15.880 5.092 ( 3.011 3.283 0.484) 4.481 5.102 ( 1.006 1.474 -6.597) 6.834 5.153 ( -3.172 -4.883 2.443) 6.314 5.279 ( 0.017 -7.049 -6.259) 9.427 5.429 ( -8.404 -6.799 4.152) 11.580 5.505 ( 11.102 -6.546 6.819) 14.581 5.686 ( 3.884 -3.336 -3.851) 6.407 5.727 ( 1.142 4.303 1.729) 4.776 5.905 ( 3.198 1.671 3.828) 5.261 5.920 ( 0.775 0.755 0.491) 1.188 6.085 ( -4.663 -0.437 -1.192) 4.833 6.111 ( 8.812 -2.038 3.326) 9.637 6.258 ( 2.580 6.751 -7.242) 10.231 6.337 ( 2.330 8.531 2.633) 9.227 6.464 ( -4.365 -1.023 -1.974) 4.899 6.576 ( 10.789 5.730 0.536) 12.228 6.758 ( -7.739 -3.681 -0.135) 8.571 6.847 ( -3.698 6.626 1.341) 7.705 6.941 ( 7.102 9.660 -4.673) 12.868 6.998 ( -12.510 5.577 -0.749) 13.718 7.310 ( -8.048 3.570 -0.893) 8.850 7.815 ( 2.187 0.550 7.074) 7.425 7.849 ( 0.110 0.006 -6.505) 6.506 8.053 ( 1.300 -2.327 2.549) 3.688 8.115 ( -2.272 -2.681 -3.443) 4.920 8.376 ( 1.532 -0.992 0.926) 2.047 8.417 ( -0.610 -2.609 -1.450) 3.047 9.669 ( 1.556 1.263 6.735) 7.026 9.702 ( 0.115 2.247 -6.057) 6.461 10.282 ( 7.174 -1.483 4.340) 8.515 10.467 ( -2.849 -2.599 3.110) 4.954 10.876 ( 5.693 -1.766 10.830) 12.362 10.961 ( 1.965 3.091 -5.810) 6.868 11.159 ( 12.374 1.648 2.330) 12.699 11.184 ( 8.263 1.274 2.122) 8.625 11.315 ( -3.548 4.002 0.408) 5.364 11.722 ( -5.883 1.876 1.625) 6.385 11.994 ( 0.809 -15.600 -10.297) 18.709 12.238 ( -11.409 -12.242 5.600) 17.646 12.465 ( -0.930 -6.234 0.462) 6.320 12.521 ( -3.171 -4.444 -2.814) 6.143 15.656 ( 3.111 5.206 1.088) 6.162 15.748 ( -1.258 6.341 -2.255) 6.847 20.414 ( 17.012 -10.802 17.576) 26.740 20.910 ( -2.716 -25.316 -9.347) 27.122 23.987 ( -0.682 -0.133 -0.503) 0.857 23.994 ( -1.075 0.117 0.520) 1.200 24.303 ( 1.608 3.463 -1.048) 3.959 24.357 ( -0.937 4.321 2.362) 5.013 24.687 ( 4.045 -0.030 -1.110) 4.194 24.771 ( 1.257 0.067 0.347) 1.305 24.799 ( 5.050 -0.215 -0.137) 5.057 24.972 ( -4.425 -1.444 -0.620) 4.695 25.005 ( 1.511 3.843 1.401) 4.361 25.219 ( -3.265 0.683 -4.036) 5.236 25.569 ( 1.906 9.238 9.363) 13.291 25.915 ( -13.829 3.182 -11.509) 18.271 ======================= Grid point 229 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.961 16.487 -9.921) 19.265 1.018 ( 0.961 16.487 9.921) 19.265 1.269 ( 8.292 16.447 -17.731) 25.567 1.269 ( -8.292 16.447 17.731) 25.567 1.811 ( -5.532 5.002 -20.217) 21.548 1.811 ( 5.532 5.002 20.217) 21.548 2.084 ( -3.920 11.344 -7.896) 14.366 2.084 ( 3.920 11.344 7.896) 14.366 2.589 ( -4.026 5.331 -4.622) 8.123 2.589 ( 4.026 5.331 4.622) 8.123 2.682 ( -5.063 5.906 -5.477) 9.513 2.682 ( 5.063 5.906 5.477) 9.513 3.549 ( 4.721 -12.043 -9.574) 16.093 3.549 ( -4.721 -12.043 9.574) 16.093 4.143 ( -4.173 -3.831 -8.461) 10.182 4.143 ( 4.173 -3.831 8.461) 10.182 4.444 ( 3.862 -5.703 -12.638) 14.393 4.444 ( -3.862 -5.703 12.638) 14.393 4.773 ( 7.642 -7.380 -3.545) 11.200 4.773 ( -7.642 -7.380 3.545) 11.200 5.034 ( -6.176 -5.980 -6.502) 10.779 5.034 ( 6.176 -5.980 6.502) 10.779 5.124 ( -2.266 -1.005 -1.778) 3.051 5.124 ( 2.266 -1.005 1.778) 3.051 5.378 ( 2.635 -5.160 -2.183) 6.191 5.378 ( -2.635 -5.160 2.183) 6.191 5.648 ( -3.209 2.941 -5.828) 7.274 5.648 ( 3.209 2.941 5.828) 7.274 5.813 ( -8.154 1.021 -4.795) 9.514 5.813 ( 8.154 1.021 4.795) 9.514 6.032 ( -3.032 -4.507 -5.130) 7.471 6.032 ( 3.032 -4.507 5.130) 7.471 6.180 ( -2.968 10.842 -6.249) 12.861 6.180 ( 2.968 10.842 6.249) 12.861 6.429 ( -7.023 -6.687 -3.362) 10.264 6.429 ( 7.023 -6.687 3.362) 10.264 6.683 ( -4.523 4.419 -4.638) 7.842 6.683 ( 4.523 4.419 4.638) 7.842 6.724 ( -5.644 4.910 0.520) 7.498 6.724 ( 5.644 4.910 -0.520) 7.498 7.039 ( -14.436 9.214 0.240) 17.127 7.039 ( 14.436 9.214 -0.240) 17.127 7.845 ( -0.016 -0.165 -11.830) 11.831 7.845 ( 0.016 -0.165 11.830) 11.831 8.103 ( -1.557 -1.945 -4.543) 5.181 8.103 ( 1.557 -1.945 4.543) 5.181 8.414 ( -1.753 -1.306 -1.356) 2.573 8.414 ( 1.753 -1.306 1.356) 2.573 9.680 ( -0.270 1.045 -7.281) 7.361 9.680 ( 0.270 1.045 7.281) 7.361 10.410 ( 0.703 -1.441 -5.487) 5.717 10.410 ( -0.703 -1.441 5.487) 5.717 10.949 ( -0.366 0.572 -6.433) 6.469 10.949 ( 0.366 0.572 6.433) 6.469 11.203 ( -2.188 2.355 -0.675) 3.285 11.203 ( 2.188 2.355 0.675) 3.285 11.520 ( -17.261 0.268 0.399) 17.268 11.520 ( 17.261 0.268 -0.399) 17.268 12.222 ( 7.285 -14.916 -6.340) 17.769 12.222 ( -7.285 -14.916 6.340) 17.769 12.529 ( -2.277 -6.648 -3.743) 7.962 12.529 ( 2.277 -6.648 3.743) 7.962 15.647 ( -0.946 6.574 -2.982) 7.280 15.647 ( 0.946 6.574 2.982) 7.280 20.951 ( -22.304 -22.564 -10.278) 33.351 20.951 ( 22.304 -22.564 10.278) 33.351 23.982 ( 0.244 0.023 -0.620) 0.666 23.982 ( -0.244 0.023 0.620) 0.666 24.293 ( 1.461 4.067 -1.386) 4.538 24.293 ( -1.461 4.067 1.386) 4.538 24.759 ( -2.520 -0.927 0.496) 2.730 24.759 ( 2.520 -0.927 -0.496) 2.730 24.889 ( -4.478 0.207 -0.944) 4.581 24.889 ( 4.478 0.207 0.944) 4.581 25.117 ( -7.558 -2.005 -2.862) 8.326 25.117 ( 7.558 -2.005 2.862) 8.326 25.570 ( -13.897 12.678 -9.724) 21.176 25.570 ( 13.897 12.678 9.724) 21.176 ======================= Grid point 233 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 17.057 -0.000 10.791) 20.184 1.593 ( -0.817 0.000 -0.465) 0.940 1.776 ( 8.465 -0.000 1.707) 8.636 1.889 ( 16.299 -0.000 -7.983) 18.149 2.375 ( 2.219 -0.000 -9.366) 9.625 2.467 ( 12.271 -0.000 13.334) 18.122 2.510 ( 10.073 -0.000 11.828) 15.536 2.549 ( 2.558 -0.000 -7.838) 8.245 3.020 ( 3.109 -0.000 -3.911) 4.996 3.058 ( -0.891 0.000 2.148) 2.326 3.118 ( -18.375 0.000 1.909) 18.474 3.177 ( -3.608 0.000 -8.179) 8.940 3.213 ( -4.246 0.000 -1.309) 4.443 3.590 ( 9.380 -0.000 -6.331) 11.317 3.927 ( -7.994 0.000 -3.411) 8.692 3.928 ( -2.570 0.000 3.249) 4.143 4.241 ( 4.982 -0.000 1.818) 5.304 4.268 ( -18.771 0.000 4.567) 19.319 4.528 ( -2.642 0.000 3.182) 4.135 4.645 ( -4.349 0.000 5.035) 6.653 4.698 ( 4.646 -0.000 1.675) 4.939 4.700 ( 3.554 -0.000 -3.501) 4.989 5.102 ( -2.437 0.000 0.110) 2.439 5.105 ( -5.409 0.000 -2.119) 5.809 5.171 ( 1.990 -0.000 -0.145) 1.995 5.302 ( -2.838 0.000 -6.705) 7.281 5.432 ( -0.803 0.000 0.390) 0.893 5.442 ( 3.581 -0.000 -7.423) 8.241 5.605 ( -4.403 0.000 -2.703) 5.167 5.607 ( -0.979 0.000 5.653) 5.737 5.869 ( -2.402 0.000 5.796) 6.274 5.888 ( -4.786 0.000 5.455) 7.257 6.146 ( 9.644 -0.000 4.994) 10.861 6.166 ( 8.295 -0.000 -0.199) 8.297 6.378 ( -1.449 0.000 4.708) 4.926 6.408 ( 8.791 -0.000 -5.640) 10.445 6.482 ( 2.968 -0.000 1.909) 3.529 6.505 ( 5.040 -0.000 -9.493) 10.748 6.851 ( -5.290 0.000 2.209) 5.733 7.199 ( -1.151 0.000 -0.546) 1.274 7.300 ( -1.647 0.000 -1.837) 2.467 7.336 ( -4.502 0.000 2.569) 5.184 7.860 ( 0.706 -0.000 -1.195) 1.388 7.878 ( 0.546 -0.000 5.798) 5.824 7.990 ( -2.643 0.000 -1.954) 3.287 8.236 ( 0.615 -0.000 3.522) 3.575 8.255 ( -4.818 0.000 -4.562) 6.635 8.422 ( -4.165 0.000 -1.217) 4.340 9.539 ( -0.499 0.000 -3.173) 3.212 9.717 ( 2.644 -0.000 3.767) 4.602 10.002 ( -2.824 0.000 -5.940) 6.577 10.446 ( -1.790 0.000 -2.042) 2.716 10.542 ( -0.354 0.000 0.855) 0.926 10.789 ( -1.720 0.000 5.766) 6.018 10.877 ( -0.585 0.000 -0.571) 0.817 11.234 ( 3.563 -0.000 -4.204) 5.511 11.452 ( 2.783 -0.000 1.490) 3.157 11.896 ( -0.694 0.000 -17.503) 17.517 11.971 ( 0.046 -0.000 14.509) 14.509 12.468 ( -2.697 0.000 -3.243) 4.218 12.578 ( -5.537 0.000 4.863) 7.370 12.683 ( 0.573 -0.000 0.580) 0.816 15.570 ( 1.674 -0.000 0.618) 1.785 15.715 ( 2.911 -0.000 -0.525) 2.958 20.043 ( -0.056 0.000 -6.245) 6.245 20.567 ( -15.689 0.000 4.354) 16.282 24.043 ( -0.433 0.000 0.077) 0.439 24.085 ( 1.290 -0.000 -0.058) 1.291 24.266 ( 1.794 -0.000 0.235) 1.809 24.279 ( 2.256 -0.000 -0.016) 2.256 24.533 ( -4.554 0.000 1.739) 4.875 24.690 ( 1.709 -0.000 -4.031) 4.379 24.892 ( 3.460 -0.000 1.315) 3.701 24.941 ( 3.060 -0.000 -5.674) 6.446 25.137 ( -2.005 0.000 7.359) 7.627 25.249 ( 3.471 -0.000 -0.524) 3.510 25.779 ( 4.401 -0.000 -3.423) 5.576 26.167 ( -3.624 0.000 4.061) 5.443 ======================= Grid point 234 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 9.728 0.684 13.857) 16.944 1.583 ( 1.644 1.742 -0.290) 2.413 1.939 ( 9.767 -4.432 3.734) 11.357 2.114 ( 5.379 -5.177 -4.341) 8.636 2.346 ( -2.192 3.945 -6.966) 8.300 2.544 ( -2.316 4.292 -3.385) 5.937 2.572 ( 1.009 4.224 1.916) 4.747 2.677 ( 1.882 -2.055 4.697) 5.461 2.769 ( -7.588 -8.838 7.152) 13.669 2.936 ( -3.031 2.847 -4.264) 5.956 3.130 ( -4.863 -9.902 -10.104) 14.960 3.166 ( -0.701 2.150 -2.821) 3.615 3.261 ( 5.127 -4.955 0.831) 7.179 3.555 ( -7.713 2.179 -1.930) 8.244 3.720 ( -16.291 0.663 5.107) 17.086 3.853 ( -7.799 -1.821 3.595) 8.778 4.076 ( -3.376 1.333 -3.663) 5.157 4.270 ( -2.117 -0.149 -0.505) 2.182 4.471 ( -2.720 2.370 2.168) 4.209 4.541 ( -5.455 -1.501 -1.486) 5.850 4.718 ( 5.011 8.405 3.778) 10.489 4.842 ( 4.313 -3.852 1.516) 5.978 5.003 ( 2.562 12.823 -0.687) 13.095 5.129 ( 5.078 3.397 -1.849) 6.383 5.219 ( 6.817 6.956 0.556) 9.756 5.282 ( 3.717 5.865 -5.062) 8.593 5.426 ( -0.505 1.814 -1.540) 2.433 5.497 ( -3.522 -5.886 2.240) 7.216 5.536 ( 3.767 -3.160 -7.574) 9.030 5.695 ( 1.201 -10.365 5.345) 11.724 5.850 ( -1.923 -3.853 3.696) 5.675 5.893 ( -0.809 -4.639 4.375) 6.428 6.256 ( 1.733 -3.356 5.574) 6.733 6.307 ( 6.017 0.330 -1.576) 6.229 6.424 ( 9.376 5.444 -0.693) 10.864 6.546 ( 3.671 -0.934 -1.003) 3.918 6.564 ( 8.942 -5.458 -1.513) 10.585 6.610 ( 5.965 -1.749 -4.689) 7.787 6.748 ( -5.189 0.479 1.304) 5.372 7.136 ( -4.890 2.588 -0.973) 5.617 7.238 ( -4.169 1.633 -1.301) 4.663 7.249 ( -4.923 1.853 3.606) 6.377 7.820 ( -1.600 3.180 2.383) 4.283 7.913 ( -0.092 -3.794 3.324) 5.045 7.943 ( -1.968 0.714 -2.846) 3.533 8.167 ( -3.849 1.233 -5.424) 6.764 8.245 ( -1.026 -0.923 1.669) 2.166 8.347 ( -3.916 -0.225 -2.164) 4.480 9.545 ( 1.577 0.260 -0.506) 1.677 9.767 ( 2.734 -0.203 2.017) 3.404 9.974 ( -0.635 -0.562 -0.364) 0.923 10.430 ( -0.210 -0.461 -3.818) 3.851 10.556 ( 2.076 0.775 4.847) 5.330 10.775 ( -0.159 0.357 4.669) 4.686 10.875 ( -0.029 -0.475 0.876) 0.997 11.268 ( 2.028 1.800 -6.611) 7.146 11.494 ( 0.875 -2.168 -0.504) 2.391 11.844 ( -2.828 0.644 -9.925) 10.340 12.006 ( 1.751 -0.105 8.386) 8.568 12.412 ( -3.662 0.145 -2.310) 4.332 12.487 ( -5.647 -0.348 3.996) 6.927 12.671 ( -1.270 1.070 -0.205) 1.673 15.607 ( 2.421 0.025 1.195) 2.700 15.768 ( 2.777 -0.795 -1.301) 3.168 20.058 ( 1.743 -0.514 -2.147) 2.812 20.343 ( -10.491 1.000 1.850) 10.700 24.029 ( -0.750 0.436 0.072) 0.870 24.091 ( -0.589 -0.185 -0.023) 0.618 24.311 ( 3.023 -0.041 0.143) 3.027 24.325 ( 2.522 -1.142 0.140) 2.772 24.475 ( -2.222 0.147 0.830) 2.377 24.714 ( 0.960 -0.646 -2.658) 2.899 24.926 ( 2.720 3.114 -0.638) 4.184 25.005 ( 1.867 -2.912 -2.707) 4.392 25.108 ( -0.944 0.579 4.105) 4.252 25.320 ( 4.887 -0.162 1.404) 5.087 25.792 ( 0.749 6.143 -2.134) 6.546 26.111 ( -5.596 -5.117 1.681) 7.766 ======================= Grid point 235 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.359 3.932 11.101) 11.782 1.621 ( 3.731 -0.202 -1.578) 4.056 2.079 ( -11.807 -1.053 0.393) 11.861 2.178 ( 7.784 -4.981 3.782) 9.985 2.255 ( -0.424 -2.710 -5.248) 5.921 2.494 ( -2.430 1.707 -3.418) 4.528 2.558 ( 5.914 3.579 -0.356) 6.922 2.615 ( -6.438 3.097 -0.428) 7.157 2.842 ( -4.614 -6.862 0.473) 8.282 2.883 ( -2.983 -4.909 -8.943) 10.629 3.091 ( -2.787 2.621 9.991) 10.698 3.205 ( 1.551 -11.514 -6.651) 13.388 3.313 ( -5.445 4.792 6.519) 9.752 3.466 ( -6.162 -2.006 3.066) 7.169 3.524 ( 0.354 -7.398 -1.135) 7.493 3.731 ( -9.043 -4.964 0.845) 10.351 4.060 ( 2.268 1.024 -4.239) 4.915 4.219 ( -0.415 2.394 -3.879) 4.577 4.408 ( -6.327 0.626 2.569) 6.857 4.491 ( -1.025 -4.397 -1.164) 4.662 4.699 ( 1.068 7.849 4.911) 9.320 4.876 ( 0.847 5.121 -0.526) 5.217 4.935 ( 1.924 8.211 -2.985) 8.946 5.118 ( 5.829 16.967 -1.071) 17.973 5.236 ( 3.286 4.547 -4.106) 6.952 5.329 ( 6.866 2.351 5.968) 9.396 5.449 ( 3.754 1.466 -6.012) 7.238 5.498 ( -4.448 -5.542 0.096) 7.106 5.640 ( 3.978 -5.554 -0.758) 6.874 5.832 ( 4.221 -1.595 4.601) 6.445 5.873 ( -0.533 -4.767 1.296) 4.969 5.937 ( -1.399 -9.981 2.483) 10.380 6.246 ( -6.763 -1.807 -0.337) 7.008 6.371 ( 2.956 0.529 2.927) 4.194 6.513 ( 3.087 3.684 -0.795) 4.872 6.567 ( 1.046 2.801 3.240) 4.409 6.666 ( -1.426 -1.140 -1.869) 2.613 6.768 ( 6.551 -0.844 -4.968) 8.265 6.805 ( 11.422 -3.279 -1.103) 11.934 7.043 ( 0.737 0.569 0.554) 1.084 7.138 ( -3.960 2.606 2.031) 5.157 7.165 ( -3.810 0.516 -1.267) 4.048 7.780 ( -0.563 1.197 5.600) 5.754 7.912 ( -0.394 1.279 -3.575) 3.817 7.958 ( 0.198 -4.753 2.779) 5.509 8.095 ( -2.586 2.027 -5.308) 6.243 8.209 ( -3.693 -1.620 -2.262) 4.623 8.323 ( -0.062 -1.378 -0.649) 1.524 9.583 ( 3.205 0.734 2.208) 3.961 9.806 ( 1.859 0.590 -0.145) 1.955 9.988 ( 1.265 -0.800 4.584) 4.822 10.431 ( 0.172 -0.099 -5.446) 5.450 10.605 ( 4.047 0.740 7.712) 8.740 10.789 ( 2.665 1.347 3.385) 4.514 10.888 ( 0.848 -0.909 1.583) 2.013 11.257 ( 0.164 2.509 -9.509) 9.836 11.521 ( -0.788 -3.368 -3.626) 5.011 11.778 ( -3.252 1.086 -5.296) 6.309 12.030 ( 0.226 0.476 7.014) 7.034 12.342 ( -4.262 -0.418 -0.875) 4.371 12.409 ( -5.940 -2.617 2.250) 6.870 12.624 ( -2.807 1.083 -0.638) 3.075 15.648 ( 2.775 0.752 1.636) 3.308 15.818 ( 2.483 -0.471 -1.848) 3.131 20.090 ( 0.592 -0.020 1.163) 1.305 20.216 ( -4.062 -1.892 -0.883) 4.567 24.013 ( -0.670 0.347 -0.040) 0.756 24.074 ( -1.576 -0.339 0.187) 1.623 24.352 ( 1.991 0.562 -0.233) 2.082 24.383 ( 2.886 -0.503 0.184) 2.935 24.465 ( 1.285 -0.370 -0.270) 1.364 24.726 ( -0.161 -0.458 -0.382) 0.618 24.911 ( -0.566 3.589 1.902) 4.101 25.038 ( -0.741 -2.458 1.030) 2.767 25.122 ( 2.814 0.493 -5.070) 5.820 25.414 ( 5.981 0.678 3.451) 6.938 25.691 ( -2.820 8.663 -0.462) 9.122 26.088 ( -5.177 -7.785 -0.349) 9.356 ======================= Grid point 236 (105/117) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.375 2.628 8.746) 9.140 1.694 ( 3.613 -0.198 -2.876) 4.622 1.925 ( -4.151 3.375 -5.160) 7.433 2.196 ( -7.079 -6.942 -6.355) 11.776 2.253 ( -1.897 3.636 5.925) 7.206 2.387 ( -14.285 3.928 -2.123) 14.967 2.564 ( 4.643 -1.271 0.156) 4.816 2.597 ( -0.967 -1.681 3.813) 4.278 2.726 ( -6.914 2.931 -0.199) 7.512 2.918 ( -8.540 -4.077 3.594) 10.122 3.023 ( -0.685 -4.081 -3.878) 5.671 3.171 ( 3.699 4.151 3.752) 6.707 3.347 ( -0.018 -3.282 -0.116) 3.284 3.509 ( 4.072 -9.281 2.311) 10.395 3.602 ( -3.208 -6.948 1.197) 7.745 3.726 ( 0.534 -6.100 -1.263) 6.252 4.108 ( 3.337 -0.409 -1.303) 3.606 4.204 ( -0.876 2.629 -6.411) 6.985 4.312 ( 1.795 0.433 2.975) 3.502 4.545 ( -0.352 -2.172 0.536) 2.264 4.609 ( -3.916 3.690 -0.878) 5.452 4.842 ( 4.375 6.158 -1.239) 7.655 4.898 ( 1.176 2.874 -2.446) 3.953 5.068 ( 7.185 12.492 0.119) 14.411 5.239 ( 2.849 4.670 -2.876) 6.180 5.364 ( -2.129 2.935 -2.097) 4.189 5.473 ( -2.633 -2.261 -0.656) 3.532 5.505 ( 3.063 -3.091 4.596) 6.329 5.739 ( -0.498 -2.351 2.784) 3.678 5.837 ( 1.444 1.180 -3.751) 4.189 5.923 ( 0.671 0.567 6.670) 6.728 6.033 ( -1.628 -7.590 1.615) 7.929 6.135 ( -3.703 -1.917 -4.125) 5.865 6.361 ( -3.085 1.569 6.558) 7.415 6.478 ( -1.324 -0.479 -0.606) 1.532 6.567 ( 3.499 7.671 -0.386) 8.440 6.616 ( -3.587 -0.292 -2.831) 4.580 6.811 ( -0.423 0.540 -1.921) 2.040 7.010 ( 8.311 -4.117 0.440) 9.286 7.072 ( -2.246 -1.117 3.400) 4.225 7.110 ( 0.432 2.891 -5.404) 6.144 7.204 ( 10.143 -2.053 1.667) 10.483 7.786 ( 0.918 -0.332 6.319) 6.394 7.888 ( -0.373 2.031 -3.408) 3.985 8.013 ( -0.429 -5.292 0.515) 5.335 8.027 ( -2.099 1.492 -4.879) 5.517 8.201 ( 0.868 -2.551 -0.743) 2.795 8.344 ( 0.636 -1.335 -1.416) 2.047 9.635 ( 3.633 1.283 4.147) 5.660 9.815 ( 0.662 1.749 -1.853) 2.633 10.037 ( 3.127 -0.488 8.995) 9.536 10.427 ( -0.226 -0.181 -5.169) 5.178 10.680 ( 4.233 0.241 8.840) 9.804 10.850 ( 6.479 2.145 2.428) 7.243 10.935 ( 4.310 -0.489 0.767) 4.405 11.214 ( -0.993 2.649 -10.761) 11.126 11.526 ( -2.358 -3.493 -6.530) 7.771 11.704 ( -4.149 0.354 -5.041) 6.539 12.009 ( -1.741 2.412 8.409) 8.920 12.285 ( -4.824 -2.999 1.409) 5.853 12.334 ( -7.197 -4.495 -0.188) 8.488 12.562 ( -3.654 0.105 -0.813) 3.745 15.686 ( 2.989 1.801 1.984) 4.014 15.854 ( 1.953 0.383 -2.358) 3.086 20.070 ( -1.064 0.577 4.257) 4.426 20.254 ( 1.627 -7.193 -3.520) 8.172 24.001 ( -0.550 0.101 -0.234) 0.606 24.048 ( -1.765 -0.201 0.355) 1.811 24.366 ( 1.446 1.862 -0.561) 2.423 24.423 ( 1.974 0.379 0.022) 2.010 24.528 ( 4.860 -1.143 -0.932) 5.079 24.713 ( -1.539 0.372 2.290) 2.784 24.863 ( -0.558 3.420 1.778) 3.895 25.034 ( -2.207 -1.560 1.006) 2.884 25.158 ( 1.847 0.223 -7.169) 7.406 25.463 ( 1.217 7.701 1.700) 7.979 25.592 ( 0.692 1.762 3.430) 3.918 26.077 ( -5.020 -6.788 -1.954) 8.666 ======================= Grid point 237 (106/117) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.973 1.949 7.344) 9.081 1.674 ( -2.822 5.148 0.939) 5.946 1.840 ( -0.370 9.520 -6.177) 11.355 2.037 ( -6.665 9.622 1.185) 11.765 2.104 ( -12.630 4.312 -8.367) 15.752 2.311 ( -3.977 -11.649 1.309) 12.379 2.437 ( -7.816 3.752 -0.017) 8.670 2.517 ( -10.851 1.248 2.039) 11.111 2.653 ( 5.397 7.277 4.379) 10.063 2.894 ( 0.767 -8.766 8.032) 11.914 3.076 ( -2.229 -2.241 -1.811) 3.643 3.173 ( 0.895 9.879 -1.449) 10.024 3.425 ( -8.392 9.816 4.490) 13.673 3.482 ( 7.012 -9.429 -6.216) 13.294 3.688 ( -6.569 -0.494 -0.147) 6.589 3.781 ( 3.873 -14.048 1.836) 14.687 4.156 ( 3.052 -4.042 -3.782) 6.322 4.230 ( 4.338 -1.269 -1.500) 4.763 4.434 ( 3.665 4.359 -1.594) 5.914 4.473 ( -1.316 -5.457 2.013) 5.964 4.541 ( 0.510 4.816 -3.216) 5.813 4.890 ( 1.579 -3.236 1.046) 3.750 4.961 ( 6.722 -2.215 -2.013) 7.358 5.165 ( 13.061 3.542 1.030) 13.572 5.242 ( 3.666 4.904 -2.543) 6.630 5.274 ( -5.276 -2.952 -5.228) 7.993 5.400 ( -8.498 -4.835 2.125) 10.005 5.581 ( -3.133 3.037 6.655) 7.958 5.666 ( 2.417 -0.132 -0.763) 2.538 5.875 ( -1.521 -1.633 -0.962) 2.430 5.920 ( 0.646 -1.420 0.789) 1.748 6.042 ( -1.311 -2.315 6.444) 6.972 6.159 ( 0.475 -0.914 -2.409) 2.620 6.326 ( 0.617 0.942 2.220) 2.489 6.465 ( -1.706 -0.350 1.838) 2.532 6.546 ( 1.072 3.288 -6.917) 7.734 6.582 ( 1.747 1.956 -0.077) 2.624 6.760 ( -4.664 -0.690 0.878) 4.796 7.052 ( -0.680 2.030 2.978) 3.668 7.089 ( 3.205 4.636 -4.978) 7.520 7.143 ( 1.854 -1.334 0.660) 2.377 7.347 ( 4.160 -0.783 1.935) 4.654 7.814 ( 1.346 0.228 5.742) 5.902 7.859 ( -0.551 1.007 -4.418) 4.565 7.989 ( -0.640 -0.502 -3.632) 3.721 8.050 ( -1.723 -4.555 -0.757) 4.929 8.275 ( 4.294 -2.203 1.228) 4.980 8.364 ( 0.720 -0.790 -2.276) 2.515 9.678 ( 2.778 1.754 4.979) 5.965 9.793 ( -0.283 2.703 -3.830) 4.697 10.124 ( 5.578 -0.796 12.769) 13.957 10.422 ( -0.792 -1.301 -3.468) 3.788 10.751 ( 3.575 -0.308 9.929) 10.558 10.966 ( 9.231 2.339 0.845) 9.560 11.041 ( 7.999 1.717 -1.745) 8.365 11.172 ( 0.971 2.164 -7.301) 7.677 11.489 ( -4.071 -0.172 -3.991) 5.704 11.641 ( -3.861 -4.305 -12.166) 13.470 11.936 ( -5.034 2.769 7.643) 9.561 12.197 ( -10.930 -4.827 4.262) 12.685 12.298 ( -2.711 -5.941 -0.736) 6.572 12.504 ( -3.932 -1.479 -1.116) 4.346 15.717 ( 3.308 2.794 2.338) 4.921 15.867 ( 0.850 1.592 -3.000) 3.501 20.090 ( 2.548 -2.057 7.923) 8.573 20.370 ( 1.041 -11.819 -6.361) 13.463 23.992 ( -0.448 -0.050 -0.437) 0.629 24.021 ( -1.556 0.076 0.487) 1.632 24.369 ( 1.748 2.727 -0.887) 3.358 24.442 ( 1.142 1.459 0.538) 1.929 24.635 ( 6.212 -1.401 -0.923) 6.435 24.685 ( -0.435 1.001 2.465) 2.696 24.833 ( 0.317 2.744 0.203) 2.770 24.999 ( -3.257 -0.725 2.036) 3.909 25.149 ( -1.675 1.396 -5.225) 5.662 25.355 ( -2.672 6.698 -1.895) 7.456 25.647 ( 4.611 1.570 7.440) 8.893 26.041 ( -5.834 -4.323 -4.499) 8.542 ======================= Grid point 238 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -2.875 11.470 8.643) 14.647 1.542 ( -3.015 10.818 4.168) 11.979 1.652 ( -0.876 9.963 -2.195) 10.240 1.860 ( -7.801 8.740 -15.103) 19.114 1.962 ( 1.555 5.849 -5.789) 8.375 2.061 ( -11.894 7.917 13.842) 19.893 2.322 ( -0.444 7.509 0.359) 7.531 2.507 ( -3.546 -1.893 2.104) 4.537 2.756 ( 10.679 4.486 -7.396) 13.743 2.937 ( -2.008 8.208 9.290) 12.558 3.036 ( -0.279 15.000 -3.189) 15.338 3.049 ( -1.251 -5.638 -3.450) 6.727 3.189 ( -6.448 3.581 3.195) 8.038 3.330 ( -18.160 4.714 4.277) 19.243 3.815 ( 7.371 -9.887 -2.266) 12.539 3.970 ( 0.113 -13.780 -1.721) 13.887 4.268 ( 4.335 -0.565 -1.343) 4.573 4.288 ( 1.734 -3.708 -8.096) 9.072 4.400 ( 0.626 -5.269 4.395) 6.890 4.522 ( 0.442 -6.208 -2.258) 6.620 4.674 ( 10.610 -2.634 3.486) 11.475 4.937 ( -4.053 -8.156 1.874) 9.298 5.107 ( 3.797 -5.273 -5.335) 8.408 5.187 ( -3.113 -3.312 -1.518) 4.792 5.235 ( 2.152 3.739 -0.702) 4.370 5.313 ( -5.472 -1.617 0.823) 5.765 5.431 ( 9.651 0.460 4.001) 10.458 5.580 ( 7.665 -7.041 -1.815) 10.565 5.741 ( 1.483 -1.008 -1.856) 2.580 5.855 ( -1.958 -4.565 4.438) 6.661 5.933 ( -1.093 -1.071 -0.237) 1.549 6.018 ( -5.184 -2.361 4.634) 7.343 6.155 ( 1.479 2.581 2.436) 3.845 6.335 ( -0.144 -0.076 -4.705) 4.707 6.417 ( -4.219 -0.208 3.229) 5.317 6.496 ( -4.149 2.959 -3.185) 6.010 6.656 ( 8.797 1.931 -2.701) 9.403 6.739 ( 5.618 3.834 0.122) 6.802 6.990 ( -3.451 4.215 0.206) 5.452 7.087 ( -6.880 3.628 0.823) 7.821 7.109 ( 6.475 7.040 -1.715) 9.717 7.352 ( -3.887 1.246 1.474) 4.340 7.832 ( 1.109 0.989 5.172) 5.381 7.846 ( -0.097 -0.091 -4.396) 4.398 8.004 ( 0.649 -2.406 -0.829) 2.626 8.051 ( -2.420 -3.636 -1.552) 4.636 8.358 ( 2.834 -1.005 1.005) 3.171 8.381 ( 0.709 -0.643 -1.897) 2.125 9.701 ( 1.737 1.923 5.798) 6.351 9.752 ( -0.726 2.711 -5.622) 6.284 10.252 ( 6.582 -1.575 9.291) 11.495 10.415 ( -2.411 -2.425 -0.684) 3.488 10.844 ( 5.851 -1.278 12.476) 13.839 11.019 ( -0.228 2.481 -9.111) 9.446 11.196 ( 14.160 1.780 0.426) 14.278 11.226 ( 6.649 2.818 1.294) 7.337 11.393 ( -4.372 3.474 0.408) 5.599 11.682 ( 2.427 -11.009 -17.854) 21.115 11.784 ( -11.609 1.396 3.947) 12.341 12.046 ( -13.860 -6.921 5.777) 16.534 12.345 ( 1.047 -5.534 1.903) 5.945 12.458 ( -3.972 -2.861 -1.816) 5.221 15.745 ( 3.596 3.649 2.706) 5.794 15.841 ( -1.031 3.110 -3.477) 4.778 20.229 ( 7.974 -7.562 12.485) 16.632 20.492 ( -3.311 -16.589 -10.090) 19.697 23.986 ( -0.247 0.015 -0.543) 0.597 23.998 ( -1.066 0.233 0.557) 1.225 24.371 ( 2.071 3.251 -1.284) 4.063 24.426 ( -0.771 2.726 1.829) 3.372 24.693 ( 2.824 0.588 0.144) 2.888 24.758 ( 5.135 -1.150 0.305) 5.271 24.813 ( 0.344 1.253 -1.442) 1.941 24.953 ( -3.152 -0.424 2.269) 3.907 25.088 ( -0.437 3.622 -0.731) 3.720 25.251 ( -4.587 2.779 -3.660) 6.493 25.704 ( 5.043 4.615 9.823) 11.968 25.946 ( -7.870 -0.042 -8.495) 11.581 ======================= Grid point 239 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -2.154 15.751 -6.657) 17.235 1.344 ( 2.154 15.751 6.657) 17.235 1.608 ( -4.517 14.895 -8.116) 17.553 1.608 ( 4.517 14.895 8.116) 17.553 1.910 ( 2.902 5.162 -9.143) 10.893 1.910 ( -2.902 5.162 9.143) 10.893 2.341 ( -3.648 10.260 -5.212) 12.072 2.341 ( 3.648 10.260 5.212) 12.072 2.763 ( -1.166 14.023 -4.683) 14.830 2.763 ( 1.166 14.023 4.683) 14.830 2.895 ( -1.019 14.956 -7.830) 16.912 2.895 ( 1.019 14.956 7.830) 16.912 3.256 ( 5.002 -16.666 -10.114) 20.126 3.256 ( -5.002 -16.666 10.114) 20.126 4.014 ( -4.559 -8.904 -7.862) 12.723 4.014 ( 4.559 -8.904 7.862) 12.723 4.327 ( 1.615 -4.162 -9.747) 10.721 4.327 ( -1.615 -4.162 9.747) 10.721 4.579 ( 5.813 -10.600 -2.259) 12.299 4.579 ( -5.813 -10.600 2.259) 12.299 4.894 ( -6.803 -7.345 -5.001) 11.192 4.894 ( 6.803 -7.345 5.001) 11.192 5.183 ( -0.990 0.535 -6.025) 6.129 5.183 ( 0.990 0.535 6.025) 6.129 5.246 ( -0.440 -2.838 -1.320) 3.161 5.246 ( 0.440 -2.838 1.320) 3.161 5.625 ( -7.426 -4.214 -7.510) 11.371 5.625 ( 7.426 -4.214 7.510) 11.371 5.833 ( -5.945 -0.274 -2.877) 6.610 5.833 ( 5.945 -0.274 2.877) 6.610 5.966 ( -3.720 -2.805 -5.009) 6.841 5.966 ( 3.720 -2.805 5.009) 6.841 6.265 ( -11.691 -5.876 -5.112) 14.048 6.265 ( 11.691 -5.876 5.112) 14.048 6.374 ( 0.860 6.591 -10.041) 12.042 6.374 ( -0.860 6.591 10.041) 12.042 6.774 ( 3.875 4.477 -3.545) 6.902 6.774 ( -3.875 4.477 3.545) 6.902 6.889 ( 3.210 8.032 -3.476) 9.322 6.889 ( -3.210 8.032 3.476) 9.322 7.189 ( -10.600 5.999 0.745) 12.203 7.189 ( 10.600 5.999 -0.745) 12.203 7.843 ( 0.262 0.002 -10.243) 10.246 7.843 ( -0.262 0.002 10.243) 10.246 8.050 ( -0.904 -3.163 -3.461) 4.775 8.050 ( 0.904 -3.163 3.461) 4.775 8.391 ( -0.451 -0.778 -0.996) 1.342 8.391 ( 0.451 -0.778 0.996) 1.342 9.710 ( -0.911 1.924 -6.585) 6.921 9.710 ( 0.911 1.924 6.585) 6.921 10.374 ( -0.718 -2.058 -9.777) 10.017 10.374 ( 0.718 -2.058 9.777) 10.017 10.958 ( -3.881 0.160 -10.604) 11.293 10.958 ( 3.881 0.160 10.604) 11.293 11.266 ( -2.993 3.842 -1.244) 5.027 11.266 ( 2.993 3.842 1.244) 5.027 11.518 ( -19.058 -0.886 -1.897) 19.172 11.518 ( 19.058 -0.886 1.897) 19.172 11.917 ( 11.635 -12.233 -12.363) 20.925 11.917 ( -11.635 -12.233 12.363) 20.925 12.431 ( -2.790 -4.190 -2.149) 5.473 12.431 ( 2.790 -4.190 2.149) 5.473 15.764 ( -1.606 4.752 -5.894) 7.739 15.764 ( 1.606 4.752 5.894) 7.739 20.534 ( -11.108 -17.615 -14.900) 25.606 20.534 ( 11.108 -17.615 14.900) 25.606 23.984 ( 0.268 0.163 -0.632) 0.706 23.984 ( -0.268 0.163 0.632) 0.706 24.370 ( 1.885 3.596 -2.027) 4.538 24.370 ( -1.885 3.596 2.027) 4.538 24.749 ( -3.400 -0.059 0.661) 3.464 24.749 ( 3.400 -0.059 -0.661) 3.464 24.886 ( -3.016 -0.444 -1.832) 3.556 24.886 ( 3.016 -0.444 1.832) 3.556 25.123 ( -5.937 2.019 -4.295) 7.601 25.123 ( 5.937 2.019 4.295) 7.601 25.762 ( -8.273 6.473 -12.040) 15.978 25.762 ( 8.273 6.473 12.040) 15.978 ======================= Grid point 245 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.469 0.000 10.644) 10.655 1.609 ( 0.363 -0.000 0.507) 0.623 2.046 ( -7.731 0.000 -3.653) 8.551 2.103 ( 10.562 -0.000 5.872) 12.085 2.267 ( -5.421 0.000 -5.938) 8.041 2.521 ( -4.476 0.000 0.818) 4.550 2.600 ( -3.168 0.000 2.650) 4.130 2.663 ( 0.084 -0.000 -5.820) 5.821 2.695 ( 1.377 -0.000 2.078) 2.493 2.953 ( 0.281 -0.000 -3.326) 3.337 2.987 ( -0.628 0.000 -12.498) 12.514 3.140 ( -4.031 0.000 12.659) 13.286 3.336 ( 6.623 -0.000 0.572) 6.648 3.452 ( -5.016 0.000 1.686) 5.292 3.486 ( -9.697 0.000 -0.984) 9.747 3.660 ( -11.897 0.000 4.993) 12.903 4.095 ( 4.413 -0.000 -8.672) 9.730 4.216 ( -2.343 0.000 0.068) 2.344 4.410 ( -6.808 0.000 3.327) 7.578 4.443 ( -3.585 0.000 -3.291) 4.867 4.818 ( -2.261 0.000 3.195) 3.914 4.866 ( 3.629 -0.000 1.798) 4.050 5.150 ( 2.103 -0.000 -3.319) 3.929 5.178 ( 2.096 -0.000 -4.781) 5.220 5.346 ( 6.066 -0.000 5.724) 8.340 5.377 ( -1.248 0.000 -2.231) 2.556 5.474 ( 7.392 -0.000 0.991) 7.458 5.513 ( 2.051 -0.000 -2.423) 3.174 5.577 ( 5.169 -0.000 -5.657) 7.663 5.615 ( -0.010 0.000 0.969) 0.969 5.848 ( 3.027 -0.000 10.101) 10.545 5.870 ( -0.835 0.000 -1.134) 1.408 6.226 ( -1.953 0.000 2.763) 3.384 6.371 ( -1.115 0.000 1.141) 1.595 6.555 ( -1.052 0.000 1.562) 1.883 6.618 ( 4.746 -0.000 -1.883) 5.105 6.654 ( 3.513 -0.000 1.339) 3.759 6.712 ( 13.872 -0.000 -2.205) 14.047 6.795 ( 7.646 -0.000 -3.918) 8.591 7.056 ( -5.910 0.000 0.548) 5.935 7.164 ( -5.650 0.000 1.879) 5.954 7.165 ( -3.554 0.000 -1.276) 3.777 7.809 ( -1.721 0.000 4.578) 4.891 7.892 ( 0.184 -0.000 3.766) 3.770 7.926 ( 0.038 -0.000 -3.569) 3.569 8.119 ( -1.458 0.000 -5.000) 5.208 8.189 ( -5.312 0.000 -3.334) 6.272 8.309 ( 0.110 -0.000 -0.584) 0.594 9.590 ( 3.305 -0.000 2.141) 3.938 9.812 ( 2.328 -0.000 -0.085) 2.330 9.980 ( 1.551 -0.000 4.983) 5.219 10.430 ( 0.485 -0.000 -5.876) 5.896 10.612 ( 3.478 -0.000 8.377) 9.071 10.806 ( 3.358 -0.000 4.659) 5.743 10.878 ( 0.824 -0.000 1.000) 1.296 11.285 ( -0.246 0.000 -12.839) 12.841 11.483 ( -0.688 0.000 -2.062) 2.174 11.791 ( -3.176 0.000 -5.192) 6.086 12.033 ( 0.894 -0.000 7.027) 7.083 12.339 ( -4.935 0.000 -1.920) 5.295 12.382 ( -6.760 0.000 3.613) 7.665 12.636 ( -3.374 0.000 -0.572) 3.423 15.656 ( 3.155 -0.000 2.060) 3.768 15.811 ( 2.845 -0.000 -2.238) 3.620 20.088 ( 2.002 -0.000 -0.002) 2.002 20.200 ( -6.986 0.000 0.225) 6.989 24.018 ( -0.829 0.000 0.150) 0.842 24.070 ( -1.540 0.000 -0.011) 1.540 24.358 ( 2.409 -0.000 -0.214) 2.419 24.376 ( 3.694 -0.000 0.287) 3.705 24.462 ( 0.825 -0.000 -0.185) 0.846 24.722 ( 0.347 -0.000 -0.467) 0.582 24.978 ( 0.933 -0.000 -2.176) 2.368 24.981 ( -1.994 0.000 4.328) 4.765 25.127 ( 2.388 -0.000 -4.975) 5.519 25.418 ( 6.562 -0.000 4.387) 7.893 25.844 ( 0.834 -0.000 -2.209) 2.362 25.949 ( -9.187 0.000 1.060) 9.248 ======================= Grid point 246 (110/117) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -3.533 1.631 3.693) 5.365 1.628 ( 0.843 -4.990 -3.631) 6.229 1.957 ( -1.686 0.069 -9.920) 10.062 2.165 ( -3.161 3.976 1.030) 5.183 2.232 ( -3.457 -4.561 10.163) 11.663 2.423 ( -6.756 -3.399 6.867) 10.215 2.471 ( -8.739 2.147 0.396) 9.007 2.664 ( -3.309 1.393 0.433) 3.616 2.710 ( 0.327 -3.724 -6.966) 7.906 2.953 ( 8.639 8.416 -2.865) 12.397 3.004 ( -7.755 0.345 3.686) 8.594 3.161 ( 6.142 -8.246 -4.516) 11.230 3.320 ( -1.393 2.998 6.974) 7.718 3.435 ( 4.878 1.610 1.124) 5.258 3.488 ( -1.358 -3.259 1.591) 3.872 3.576 ( 0.345 -8.119 -0.710) 8.158 4.156 ( 5.125 4.526 -3.707) 7.778 4.229 ( 0.776 -0.900 -5.319) 5.450 4.307 ( -3.301 -0.369 5.242) 6.205 4.431 ( 0.742 -6.049 -2.486) 6.581 4.715 ( -5.798 5.092 0.809) 7.759 4.902 ( 0.599 0.807 -1.447) 1.761 5.065 ( -0.488 9.778 -3.544) 10.412 5.221 ( -3.444 -5.054 -5.901) 8.499 5.339 ( 3.256 7.527 0.268) 8.205 5.409 ( -3.843 0.554 0.443) 3.908 5.459 ( -2.792 7.198 -0.417) 7.732 5.531 ( 8.198 3.669 5.750) 10.665 5.660 ( 4.783 -4.305 2.098) 6.768 5.791 ( 2.867 -12.631 -0.154) 12.953 5.851 ( -1.070 -1.578 -5.561) 5.878 5.921 ( 2.930 -0.418 6.048) 6.734 6.161 ( -4.239 2.508 0.360) 4.939 6.353 ( -1.274 -1.879 10.136) 10.387 6.477 ( -7.148 0.665 -0.560) 7.201 6.634 ( -2.091 1.165 -5.611) 6.101 6.694 ( 2.425 4.253 -1.698) 5.182 6.843 ( -0.759 2.412 -1.504) 2.942 6.931 ( 6.972 -3.584 -0.776) 7.878 7.007 ( -0.197 -3.303 5.220) 6.180 7.143 ( 3.571 0.473 -4.531) 5.788 7.176 ( 6.104 -0.884 0.425) 6.182 7.792 ( 0.145 0.882 6.041) 6.107 7.917 ( 0.007 -2.744 2.478) 3.697 7.930 ( 0.907 0.710 -3.027) 3.239 8.069 ( -4.002 2.459 -6.029) 7.643 8.145 ( 1.324 -2.817 -1.753) 3.573 8.329 ( 1.708 -0.262 -1.125) 2.061 9.652 ( 3.810 0.444 4.139) 5.644 9.839 ( 1.250 0.621 -1.776) 2.259 10.030 ( 3.418 -0.169 9.607) 10.198 10.425 ( -0.565 -0.040 -6.890) 6.913 10.684 ( 3.868 0.117 10.773) 11.447 10.893 ( 6.913 1.892 2.465) 7.579 10.922 ( 5.149 -0.927 1.414) 5.420 11.245 ( -2.407 0.486 -17.580) 17.751 11.469 ( -1.598 -1.499 -4.640) 5.131 11.724 ( -4.133 0.817 -1.663) 4.529 12.046 ( 0.225 1.112 7.417) 7.503 12.246 ( -6.310 -1.156 -1.028) 6.497 12.268 ( -8.358 -1.740 2.487) 8.892 12.564 ( -4.786 0.080 -0.823) 4.856 15.711 ( 3.420 0.690 2.818) 4.485 15.854 ( 2.300 -0.162 -2.988) 3.774 20.092 ( -1.774 1.733 1.455) 2.875 20.146 ( -0.436 -3.883 -1.021) 4.038 24.004 ( -0.656 0.159 0.110) 0.684 24.044 ( -1.560 -0.163 -0.021) 1.569 24.395 ( 2.368 0.893 -0.194) 2.538 24.423 ( 2.054 -0.179 -0.168) 2.069 24.514 ( 4.906 -0.332 -0.796) 4.981 24.719 ( -0.778 0.179 2.093) 2.240 24.929 ( -1.080 3.176 2.426) 4.139 24.993 ( -1.641 -2.552 -0.215) 3.042 25.157 ( 1.367 -0.119 -7.691) 7.813 25.538 ( 7.156 0.793 6.863) 9.947 25.714 ( -6.425 8.939 -0.688) 11.030 25.921 ( -3.114 -8.528 -1.866) 9.268 ======================= Grid point 247 (111/117) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.730 -1.518 -2.295) 3.250 1.745 ( 5.962 -3.286 -6.648) 9.515 1.942 ( -0.385 -3.281 -14.716) 15.083 2.069 ( -2.389 4.957 6.666) 8.644 2.128 ( -11.529 -3.074 8.514) 14.658 2.235 ( -10.501 6.385 6.415) 13.863 2.417 ( -6.413 -5.497 -0.294) 8.452 2.597 ( -7.826 3.343 8.246) 11.849 2.648 ( -3.521 -3.024 6.590) 8.061 2.967 ( 6.371 11.509 -1.902) 13.291 2.992 ( 2.668 -5.065 -8.840) 10.532 3.289 ( 1.821 -0.416 0.243) 1.883 3.380 ( 10.380 0.946 -1.746) 10.568 3.503 ( -0.059 -2.036 2.170) 2.976 3.568 ( 5.734 -6.154 1.767) 8.595 3.665 ( 0.884 -2.468 0.250) 2.633 4.137 ( -0.971 2.983 0.771) 3.230 4.225 ( 2.693 -0.408 -4.354) 5.136 4.369 ( 2.705 -3.140 5.523) 6.905 4.549 ( -2.884 -2.084 -5.432) 6.494 4.580 ( 6.092 5.285 -3.424) 8.762 4.885 ( -0.792 0.875 -1.174) 1.665 4.987 ( 1.506 4.925 -2.297) 5.639 5.184 ( -3.558 -3.814 -6.182) 8.088 5.271 ( -7.407 3.051 -0.886) 8.060 5.311 ( -6.695 1.141 -0.251) 6.796 5.361 ( 3.588 4.470 3.246) 6.587 5.645 ( 4.756 2.805 9.485) 10.975 5.715 ( 0.257 2.681 0.905) 2.842 5.826 ( -3.406 -1.903 -5.143) 6.456 5.909 ( -0.192 1.134 1.016) 1.534 5.932 ( -1.448 -8.352 2.613) 8.870 6.131 ( 1.662 -1.702 -1.129) 2.634 6.340 ( -3.509 -0.156 6.491) 7.381 6.394 ( -2.636 -4.105 5.611) 7.435 6.574 ( -2.836 0.153 -8.365) 8.834 6.649 ( -0.380 4.205 -3.864) 5.724 6.781 ( -1.983 0.563 0.368) 2.094 7.029 ( 0.529 -2.368 0.274) 2.442 7.092 ( 4.802 -2.188 3.502) 6.333 7.191 ( 4.837 4.007 -2.595) 6.797 7.319 ( 5.669 -2.149 0.481) 6.082 7.805 ( 0.933 -0.284 6.093) 6.171 7.904 ( -0.793 2.330 -2.732) 3.677 7.954 ( -0.739 -3.336 -0.982) 3.555 7.997 ( -1.594 0.125 -5.019) 5.267 8.235 ( 5.550 -1.822 2.102) 6.208 8.361 ( 2.047 0.196 -2.604) 3.318 9.708 ( 3.147 1.131 4.968) 5.988 9.837 ( 0.099 1.651 -3.800) 4.144 10.111 ( 4.746 -0.491 14.181) 14.962 10.403 ( -1.619 -0.624 -6.925) 7.139 10.750 ( 3.305 0.192 11.612) 12.075 11.007 ( 9.307 1.677 0.062) 9.457 11.070 ( 10.477 1.146 0.450) 10.549 11.183 ( -2.290 -1.069 -17.272) 17.456 11.449 ( -1.939 -1.540 -7.106) 7.526 11.636 ( -4.822 1.389 -0.902) 5.099 11.998 ( -5.175 3.297 5.357) 8.145 12.129 ( -10.786 -2.223 3.114) 11.445 12.192 ( -2.665 -4.767 1.141) 5.579 12.481 ( -5.298 -0.824 -1.268) 5.510 15.760 ( 3.405 1.514 3.344) 5.007 15.882 ( 1.173 0.148 -3.572) 3.762 20.066 ( 0.057 -0.314 3.320) 3.335 20.194 ( -0.272 -6.215 -2.700) 6.782 23.994 ( -0.400 0.165 -0.045) 0.435 24.021 ( -1.315 -0.056 0.051) 1.317 24.417 ( 2.145 2.026 -0.542) 3.000 24.457 ( 1.769 0.162 0.198) 1.787 24.615 ( 6.505 -0.611 -1.104) 6.626 24.702 ( -0.540 0.653 2.815) 2.940 24.887 ( -0.846 2.692 -0.174) 2.827 24.978 ( -2.455 -1.494 2.285) 3.672 25.157 ( -0.680 -0.102 -6.958) 6.992 25.499 ( -6.916 7.051 0.033) 9.877 25.670 ( 6.191 0.756 6.980) 9.361 25.943 ( -2.454 -5.176 -3.799) 6.874 ======================= Grid point 248 (112/117) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 7.045 -1.535 -7.521) 10.419 1.742 ( -0.771 8.556 1.822) 8.782 1.912 ( -4.813 13.014 -3.339) 14.271 1.941 ( -9.281 1.133 10.091) 13.757 2.046 ( 2.632 -0.546 -10.539) 10.876 2.119 ( -5.368 -7.133 3.656) 9.647 2.364 ( -3.318 -2.387 1.039) 4.217 2.386 ( -6.729 1.246 5.671) 8.888 2.749 ( 5.287 -6.057 11.236) 13.816 2.934 ( -0.700 1.522 -4.374) 4.684 3.075 ( 5.835 5.404 -5.860) 9.879 3.277 ( -0.250 6.594 -0.064) 6.599 3.439 ( -4.266 6.092 0.907) 7.493 3.465 ( -3.450 9.279 1.299) 9.985 3.664 ( 6.641 -2.387 -8.529) 11.070 3.744 ( 3.231 -6.625 8.034) 10.902 4.189 ( 6.199 -3.058 -0.706) 6.948 4.282 ( 2.613 -1.472 -0.476) 3.037 4.357 ( -3.995 -0.991 -0.742) 4.183 4.465 ( -5.285 0.977 -3.981) 6.689 4.691 ( 9.926 4.859 0.896) 11.088 4.860 ( -2.212 -1.106 0.419) 2.508 5.001 ( -1.504 -3.323 -4.749) 5.988 5.092 ( -8.515 -2.632 -0.611) 8.933 5.239 ( 0.036 -5.185 1.398) 5.370 5.286 ( 4.649 -1.308 -1.687) 5.115 5.440 ( 7.923 -3.707 1.480) 8.871 5.556 ( -1.736 6.993 2.840) 7.745 5.722 ( -4.947 -0.233 -4.249) 6.525 5.801 ( 3.930 0.072 4.049) 5.644 5.895 ( -4.625 -2.919 -0.944) 5.550 5.949 ( -4.914 -4.581 4.472) 8.071 6.176 ( 1.906 -0.579 0.083) 1.994 6.287 ( -5.273 -2.968 -0.007) 6.051 6.421 ( 1.883 0.174 8.652) 8.856 6.523 ( -2.933 -0.177 -7.843) 8.376 6.669 ( 5.531 -0.881 -3.770) 6.752 6.778 ( 1.250 -1.277 -0.774) 1.947 7.033 ( -0.090 1.765 -0.440) 1.822 7.129 ( -2.372 0.912 2.988) 3.922 7.230 ( 5.807 5.018 -0.330) 7.682 7.370 ( -0.861 0.404 0.856) 1.280 7.831 ( 0.759 -0.689 5.826) 5.916 7.867 ( -0.503 1.583 -4.847) 5.123 7.964 ( -0.340 -1.977 -2.920) 3.543 7.988 ( -1.275 -1.830 -0.184) 2.238 8.339 ( 4.345 -0.787 3.109) 5.400 8.385 ( 1.436 0.607 -3.413) 3.752 9.741 ( 2.139 1.911 5.268) 5.998 9.804 ( -1.016 2.427 -5.250) 5.872 10.221 ( 5.489 -1.503 14.055) 15.163 10.374 ( -2.568 -1.659 -6.512) 7.194 10.827 ( 5.120 -0.444 13.792) 14.718 11.050 ( -3.475 0.545 -15.005) 15.412 11.221 ( 12.871 0.602 -1.901) 13.024 11.273 ( 9.229 1.591 1.101) 9.429 11.427 ( -1.214 0.007 -4.515) 4.675 11.556 ( -2.576 -0.992 -5.742) 6.372 11.831 ( -10.313 2.427 2.627) 10.916 11.955 ( -12.919 -2.708 3.191) 13.580 12.246 ( 2.627 -4.365 3.967) 6.456 12.406 ( -5.229 -2.269 -2.232) 6.122 15.801 ( 3.235 2.021 3.684) 5.303 15.879 ( -0.603 0.997 -3.974) 4.142 20.117 ( 3.261 -3.883 6.595) 8.319 20.245 ( -2.382 -8.832 -5.866) 10.867 23.988 ( -0.069 0.171 -0.235) 0.299 24.002 ( -0.953 0.155 0.225) 0.991 24.429 ( 2.052 2.536 -1.002) 3.413 24.467 ( 0.080 1.489 1.180) 1.902 24.706 ( 2.272 0.673 1.059) 2.596 24.736 ( 6.119 -0.926 -0.461) 6.206 24.840 ( -2.045 1.322 -2.159) 3.254 24.945 ( -3.287 -0.529 3.734) 5.003 25.139 ( 0.896 1.682 -3.244) 3.762 25.324 ( -7.112 4.121 -1.516) 8.358 25.764 ( 5.543 1.807 8.603) 10.393 25.924 ( -3.613 -1.783 -6.517) 7.662 ======================= Grid point 249 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.033 10.819 -10.440) 15.171 1.616 ( -2.033 10.819 10.440) 15.171 1.809 ( 0.354 5.838 -20.932) 21.734 1.809 ( -0.354 5.838 20.932) 21.734 2.024 ( 2.579 5.996 -10.439) 12.311 2.024 ( -2.579 5.996 10.439) 12.311 2.394 ( -0.969 -4.465 -4.644) 6.515 2.394 ( 0.969 -4.465 4.644) 6.515 2.928 ( -4.460 -8.809 -10.501) 14.414 2.928 ( 4.460 -8.809 10.501) 14.414 3.105 ( 4.612 11.581 -4.648) 13.304 3.105 ( -4.612 11.581 4.648) 13.304 3.247 ( 1.942 18.915 -2.835) 19.224 3.247 ( -1.942 18.915 2.835) 19.224 3.822 ( 0.962 -9.220 -9.046) 12.952 3.822 ( -0.962 -9.220 9.046) 12.952 4.301 ( 0.175 0.789 -7.613) 7.656 4.301 ( -0.175 0.789 7.613) 7.656 4.390 ( -4.476 -7.493 -5.089) 10.103 4.390 ( 4.476 -7.493 5.089) 10.103 4.807 ( -3.665 -0.639 -4.634) 5.943 4.807 ( 3.665 -0.639 4.634) 5.943 5.045 ( 2.510 -7.995 -5.018) 9.767 5.045 ( -2.510 -7.995 5.018) 9.767 5.305 ( 0.544 1.526 -0.810) 1.811 5.305 ( -0.544 1.526 0.810) 1.811 5.557 ( -5.889 -1.661 -6.488) 8.918 5.557 ( 5.889 -1.661 6.488) 8.918 5.781 ( -10.500 -5.562 -2.030) 12.054 5.781 ( 10.500 -5.562 2.030) 12.054 5.894 ( -1.271 -2.273 -3.462) 4.332 5.894 ( 1.271 -2.273 3.462) 4.332 6.219 ( -2.314 -0.006 -4.946) 5.460 6.219 ( 2.314 -0.006 4.946) 5.460 6.457 ( -1.035 1.933 -11.298) 11.509 6.457 ( 1.035 1.933 11.298) 11.509 6.797 ( 3.035 -2.645 -2.336) 4.655 6.797 ( -3.035 -2.645 2.336) 4.655 7.020 ( 4.438 5.443 -2.864) 7.584 7.020 ( -4.438 5.443 2.864) 7.584 7.286 ( -4.058 4.007 -1.235) 5.835 7.286 ( 4.058 4.007 1.235) 5.835 7.848 ( -0.007 0.384 -7.442) 7.452 7.848 ( 0.007 0.384 7.442) 7.452 7.989 ( 0.452 -2.647 -1.956) 3.323 7.989 ( -0.452 -2.647 1.956) 3.323 8.386 ( -0.586 0.180 -2.661) 2.731 8.386 ( 0.586 0.180 2.661) 2.731 9.754 ( -1.444 2.374 -5.766) 6.401 9.754 ( 1.444 2.374 5.766) 6.401 10.332 ( -2.174 -2.097 -12.852) 13.203 10.332 ( 2.174 -2.097 12.852) 13.203 10.951 ( -6.252 -0.813 -15.497) 16.731 10.951 ( 6.252 -0.813 15.497) 16.731 11.342 ( -1.932 3.432 -2.781) 4.822 11.342 ( 1.932 3.432 2.781) 4.822 11.485 ( -13.248 -1.763 -4.462) 14.090 11.485 ( 13.248 -1.763 4.462) 14.090 11.781 ( 4.772 -2.485 -5.220) 7.496 11.781 ( -4.772 -2.485 5.220) 7.496 12.351 ( -4.316 -3.760 -3.204) 6.560 12.351 ( 4.316 -3.760 3.204) 6.560 15.832 ( -1.754 2.326 -5.823) 6.511 15.832 ( 1.754 2.326 5.823) 6.511 20.267 ( -5.105 -9.841 -10.631) 15.360 20.267 ( 5.105 -9.841 10.631) 15.360 23.988 ( 0.205 0.228 -0.703) 0.767 23.988 ( -0.205 0.228 0.703) 0.767 24.433 ( 1.294 2.713 -1.791) 3.499 24.433 ( -1.294 2.713 1.791) 3.499 24.753 ( -3.426 0.387 0.371) 3.468 24.753 ( 3.426 0.387 -0.371) 3.468 24.875 ( 1.296 -0.609 -2.721) 3.075 24.875 ( -1.296 -0.609 2.721) 3.075 25.176 ( -3.909 2.918 -3.874) 6.229 25.176 ( 3.909 2.918 3.874) 6.229 25.840 ( -4.931 1.981 -10.318) 11.606 25.840 ( 4.931 1.981 10.318) 11.606 ======================= Grid point 257 (114/117) ======================= q-point: ( 0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 1.217 -0.000 -6.098) 6.218 1.626 ( 5.154 -0.000 -8.844) 10.236 1.931 ( -1.699 0.000 -16.279) 16.367 2.071 ( -10.864 0.000 16.865) 20.061 2.198 ( 0.472 -0.000 6.591) 6.607 2.307 ( -5.072 0.000 7.565) 9.108 2.312 ( -10.650 0.000 3.426) 11.187 2.604 ( -1.210 0.000 3.421) 3.629 2.647 ( -9.678 0.000 6.360) 11.581 2.935 ( 2.618 -0.000 -11.014) 11.321 3.160 ( 4.002 -0.000 -2.044) 4.494 3.202 ( 4.244 -0.000 -0.763) 4.312 3.392 ( 6.688 -0.000 -2.251) 7.057 3.469 ( 1.537 -0.000 4.003) 4.288 3.554 ( 6.597 -0.000 -0.868) 6.654 3.602 ( 10.024 -0.000 2.346) 10.295 4.192 ( -2.618 0.000 9.798) 10.142 4.214 ( -0.707 0.000 -6.491) 6.529 4.388 ( 5.999 -0.000 -2.798) 6.619 4.426 ( 4.673 -0.000 -1.253) 4.838 4.679 ( 1.793 -0.000 -4.082) 4.458 4.894 ( -2.077 0.000 -2.171) 3.004 5.073 ( -5.852 0.000 -6.289) 8.591 5.102 ( -3.222 0.000 -2.527) 4.095 5.287 ( -7.393 0.000 -0.024) 7.393 5.333 ( -7.415 0.000 -0.064) 7.415 5.482 ( -1.997 0.000 1.660) 2.597 5.674 ( 4.764 -0.000 9.529) 10.654 5.749 ( 5.598 -0.000 2.897) 6.303 5.774 ( 2.126 -0.000 1.700) 2.722 5.805 ( -1.794 0.000 -6.822) 7.054 5.957 ( -0.233 0.000 2.584) 2.595 6.108 ( -1.998 0.000 -2.785) 3.428 6.307 ( -9.901 0.000 0.431) 9.910 6.371 ( 1.867 -0.000 15.175) 15.290 6.572 ( -4.047 0.000 -10.516) 11.267 6.725 ( -0.903 0.000 -5.046) 5.126 6.752 ( -7.528 0.000 0.804) 7.571 7.007 ( 5.800 -0.000 -0.078) 5.801 7.063 ( 4.623 -0.000 4.437) 6.408 7.261 ( 4.921 -0.000 2.018) 5.319 7.267 ( 7.410 -0.000 -4.501) 8.670 7.806 ( 0.391 -0.000 5.479) 5.493 7.902 ( -0.866 0.000 2.167) 2.334 7.944 ( 0.397 -0.000 -2.864) 2.891 8.003 ( -2.908 0.000 -7.492) 8.036 8.213 ( 6.611 -0.000 3.008) 7.263 8.364 ( 2.435 -0.000 -2.759) 3.680 9.719 ( 3.383 -0.000 5.138) 6.152 9.854 ( 0.346 -0.000 -3.827) 3.843 10.106 ( 4.327 -0.000 14.668) 15.293 10.397 ( -1.919 0.000 -8.439) 8.654 10.753 ( 3.255 -0.000 12.768) 13.176 11.025 ( 9.577 -0.000 0.037) 9.577 11.082 ( 11.566 -0.000 1.386) 11.648 11.163 ( -4.591 0.000 -22.229) 22.698 11.439 ( -0.736 0.000 -5.015) 5.069 11.652 ( -4.872 0.000 0.938) 4.961 12.048 ( -5.646 0.000 5.609) 7.959 12.102 ( -9.466 0.000 -2.016) 9.678 12.133 ( -3.292 0.000 5.287) 6.228 12.473 ( -5.853 0.000 -1.352) 6.008 15.775 ( 3.382 -0.000 3.894) 5.157 15.882 ( 1.341 -0.000 -3.973) 4.193 20.070 ( -1.190 0.000 -0.155) 1.200 20.127 ( -0.119 0.000 0.565) 0.577 23.996 ( -0.430 0.000 0.264) 0.505 24.020 ( -1.185 0.000 -0.288) 1.219 24.444 ( 2.600 -0.000 0.429) 2.635 24.451 ( 1.735 -0.000 -0.742) 1.888 24.609 ( 6.546 -0.000 -1.140) 6.644 24.709 ( -0.536 0.000 2.947) 2.995 24.930 ( -3.292 0.000 -3.351) 4.698 24.947 ( -0.174 0.000 5.356) 5.359 25.155 ( -0.308 0.000 -7.286) 7.293 25.585 ( -10.825 0.000 1.325) 10.906 25.678 ( 6.424 -0.000 6.517) 9.151 25.876 ( 1.298 -0.000 -4.207) 4.402 ======================= Grid point 259 (115/117) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 8.906 0.317 -9.761) 13.218 1.777 ( 4.739 -9.000 -9.720) 14.069 1.871 ( -2.346 1.664 -12.660) 12.982 1.937 ( -7.249 -2.846 17.217) 18.897 2.100 ( -9.405 2.325 8.906) 13.160 2.154 ( -2.070 7.912 1.630) 8.339 2.289 ( -1.764 -4.319 -2.427) 5.259 2.458 ( -10.544 2.372 10.244) 14.891 2.676 ( 7.265 -1.302 11.409) 13.589 2.948 ( -3.440 -0.438 -11.343) 11.862 3.174 ( 5.800 4.638 -5.062) 8.987 3.283 ( 0.495 -2.378 1.689) 2.959 3.428 ( -0.460 -4.171 -8.112) 9.133 3.499 ( -0.316 -1.485 6.072) 6.259 3.733 ( 13.135 6.294 -2.463) 14.772 3.784 ( 8.697 2.918 5.306) 10.598 4.170 ( 2.047 0.716 5.057) 5.503 4.220 ( -0.198 -3.700 0.922) 3.818 4.371 ( -1.495 2.658 -4.424) 5.373 4.495 ( -1.669 0.149 -3.399) 3.789 4.808 ( 9.978 4.604 -0.745) 11.014 4.832 ( -4.302 -1.048 -0.498) 4.455 4.965 ( -4.094 -1.006 -6.990) 8.163 5.104 ( 2.104 -1.674 -1.560) 3.108 5.171 ( -4.275 1.909 0.338) 4.694 5.232 ( -1.270 -2.009 -1.694) 2.919 5.414 ( -4.632 0.966 4.168) 6.306 5.613 ( -9.989 -2.156 7.768) 12.836 5.765 ( -0.844 2.024 -3.736) 4.332 5.821 ( -1.637 -1.442 0.938) 2.374 5.832 ( 1.508 1.941 0.802) 2.585 5.898 ( -1.088 -0.556 -0.710) 1.413 6.146 ( 3.777 -1.693 -2.370) 4.769 6.229 ( -1.952 -2.438 4.863) 5.779 6.420 ( 1.955 -0.146 13.921) 14.058 6.508 ( -2.763 -0.756 -13.372) 13.675 6.652 ( -1.363 0.180 -0.856) 1.620 6.709 ( -3.604 -3.990 -3.571) 6.454 7.079 ( 3.789 2.194 0.020) 4.378 7.130 ( 1.438 -0.665 3.449) 3.796 7.309 ( 3.968 2.978 0.747) 5.017 7.361 ( 1.843 -1.222 -1.427) 2.632 7.820 ( 0.742 -0.282 4.642) 4.710 7.875 ( -2.316 -0.646 -2.042) 3.155 7.947 ( 0.718 0.406 -1.469) 1.684 7.976 ( -0.628 -0.124 -3.268) 3.330 8.327 ( 5.420 -0.379 5.103) 7.454 8.395 ( 1.516 0.312 -4.521) 4.779 9.770 ( 2.559 0.850 5.378) 6.016 9.840 ( -0.931 1.038 -5.282) 5.463 10.197 ( 4.631 -0.691 16.692) 17.337 10.351 ( -2.904 -0.634 -10.506) 10.918 10.824 ( 4.243 -0.021 15.094) 15.679 11.045 ( -6.092 -0.590 -21.714) 22.560 11.224 ( 13.267 -0.047 -1.035) 13.307 11.292 ( 11.311 0.478 1.419) 11.409 11.432 ( 0.785 0.460 -5.438) 5.514 11.568 ( -4.481 0.808 1.031) 4.669 11.866 ( -11.713 0.962 3.934) 12.394 11.927 ( -11.319 -0.465 -1.317) 11.405 12.181 ( 4.080 -1.882 5.898) 7.414 12.374 ( -6.082 -0.870 -2.546) 6.650 15.827 ( 2.812 0.687 4.468) 5.324 15.888 ( -0.145 0.141 -4.526) 4.530 20.071 ( 1.031 -0.906 1.514) 2.044 20.129 ( -1.484 -3.023 -1.211) 3.579 23.991 ( -0.077 0.111 0.264) 0.296 24.003 ( -0.804 0.031 -0.309) 0.862 24.468 ( 1.698 1.402 -0.569) 2.274 24.483 ( 1.026 0.047 0.661) 1.222 24.717 ( 2.215 0.339 1.399) 2.642 24.723 ( 6.036 -0.357 -0.701) 6.087 24.860 ( -3.550 0.647 -2.966) 4.671 24.934 ( -3.022 -0.417 4.612) 5.530 25.160 ( 2.451 0.475 -4.262) 4.940 25.391 ( -9.944 2.049 -0.304) 10.158 25.785 ( 5.315 0.465 8.175) 9.762 25.891 ( -0.485 -1.143 -6.143) 6.268 ======================= Grid point 260 (116/117) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 9.329 0.995 -7.997) 12.327 1.731 ( -9.329 0.995 7.997) 12.327 1.876 ( -1.498 0.123 -11.544) 11.642 1.876 ( 1.498 0.123 11.544) 11.642 2.074 ( 2.729 -0.542 -7.291) 7.803 2.074 ( -2.729 -0.542 7.291) 7.803 2.313 ( 2.928 0.296 -7.871) 8.403 2.313 ( -2.928 0.296 7.871) 8.403 2.836 ( -7.545 -1.200 -11.887) 14.130 2.836 ( 7.545 -1.200 11.887) 14.130 3.240 ( 3.514 2.025 -5.027) 6.459 3.240 ( -3.514 2.025 5.027) 6.459 3.482 ( 2.561 0.504 -5.834) 6.391 3.482 ( -2.561 0.504 5.834) 6.391 3.776 ( 2.145 7.638 -11.861) 14.270 3.776 ( -2.145 7.638 11.861) 14.270 4.262 ( 1.678 -5.015 -10.240) 11.525 4.262 ( -1.678 -5.015 10.240) 11.525 4.365 ( 1.815 4.173 -0.856) 4.630 4.365 ( -1.815 4.173 0.856) 4.630 4.822 ( 0.930 -1.369 -0.964) 1.915 4.822 ( -0.930 -1.369 0.964) 1.915 4.980 ( 2.382 4.757 -3.055) 6.135 4.980 ( -2.382 4.757 3.055) 6.135 5.267 ( -3.271 -4.338 -2.682) 6.059 5.267 ( 3.271 -4.338 2.682) 6.059 5.488 ( -1.928 -7.238 -3.772) 8.386 5.488 ( 1.928 -7.238 3.772) 8.386 5.730 ( -3.516 2.434 -2.256) 4.836 5.730 ( 3.516 2.434 2.256) 4.836 5.882 ( -0.980 0.234 -2.284) 2.497 5.882 ( 0.980 0.234 2.284) 2.497 6.216 ( 0.782 -0.780 -4.511) 4.644 6.216 ( -0.782 -0.780 4.511) 4.644 6.466 ( -1.541 -0.560 -14.116) 14.211 6.466 ( 1.541 -0.560 14.116) 14.211 6.702 ( -0.324 -5.419 -4.684) 7.170 6.702 ( 0.324 -5.419 4.684) 7.170 7.105 ( 2.738 2.993 -2.213) 4.621 7.105 ( -2.738 2.993 2.213) 4.621 7.345 ( -1.577 1.928 -2.505) 3.532 7.345 ( 1.577 1.928 2.505) 3.532 7.846 ( -1.298 -0.570 -4.511) 4.728 7.846 ( 1.298 -0.570 4.511) 4.728 7.961 ( -1.100 -0.232 -0.105) 1.129 7.961 ( 1.100 -0.232 0.105) 1.129 8.391 ( -1.403 0.212 -4.870) 5.073 8.391 ( 1.403 0.212 4.870) 5.073 9.797 ( -1.788 1.821 -5.482) 6.047 9.797 ( 1.788 1.821 5.482) 6.047 10.295 ( -3.432 -1.500 -14.412) 14.891 10.295 ( 3.432 -1.500 14.412) 14.891 10.931 ( -6.203 -0.978 -18.707) 19.732 10.931 ( 6.203 -0.978 18.707) 19.732 11.388 ( 0.011 1.194 -3.423) 3.626 11.388 ( -0.011 1.194 3.423) 3.626 11.473 ( -6.751 0.458 -2.040) 7.067 11.473 ( 6.751 0.458 2.040) 7.067 11.768 ( -2.647 0.260 -4.100) 4.887 11.768 ( 2.647 0.260 4.100) 4.887 12.289 ( -5.395 -2.378 -4.119) 7.192 12.289 ( 5.395 -2.378 4.119) 7.192 15.863 ( -1.635 0.901 -5.192) 5.517 15.863 ( 1.635 0.901 5.192) 5.517 20.130 ( -2.153 -4.329 -5.077) 7.011 20.130 ( 2.153 -4.329 5.077) 7.011 23.992 ( -0.102 0.160 -0.576) 0.606 23.992 ( 0.102 0.160 0.576) 0.606 24.476 ( 0.603 1.542 -1.527) 2.253 24.476 ( -0.603 1.542 1.527) 2.253 24.761 ( -3.000 0.290 0.075) 3.014 24.761 ( 3.000 0.290 -0.075) 3.014 24.864 ( 4.464 -0.419 -3.767) 5.856 24.864 ( -4.464 -0.419 3.767) 5.856 25.227 ( -4.100 2.014 -1.883) 4.941 25.227 ( 4.100 2.014 1.883) 4.941 25.859 ( -3.122 0.235 -8.476) 9.035 25.859 ( 3.122 0.235 8.476) 9.035 ======================= Grid point 271 (117/117) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -7.236 -0.000 2.147) 7.548 1.720 ( 7.236 -0.000 -2.147) 7.548 1.849 ( 0.764 -0.000 -12.065) 12.089 1.849 ( -0.764 -0.000 12.065) 12.089 2.087 ( 6.211 -0.000 -4.757) 7.824 2.087 ( -6.211 -0.000 4.757) 7.824 2.332 ( 6.941 -0.000 -9.887) 12.081 2.332 ( -6.941 -0.000 9.887) 12.081 2.830 ( -8.741 -0.000 -14.623) 17.036 2.830 ( 8.741 -0.000 14.623) 17.036 3.248 ( 2.943 -0.000 -2.857) 4.102 3.248 ( -2.943 -0.000 2.857) 4.102 3.452 ( 4.614 -0.000 -8.882) 10.009 3.452 ( -4.614 -0.000 8.882) 10.009 3.903 ( -0.262 -0.000 -5.905) 5.910 3.903 ( 0.262 -0.000 5.905) 5.910 4.191 ( 0.996 -0.000 -13.808) 13.844 4.191 ( -0.996 -0.000 13.808) 13.844 4.423 ( -6.567 -0.000 0.407) 6.580 4.423 ( 6.567 -0.000 -0.407) 6.580 4.794 ( -3.584 -0.000 0.913) 3.698 4.794 ( 3.584 -0.000 -0.913) 3.698 5.122 ( -2.136 0.000 -0.856) 2.301 5.122 ( 2.136 0.000 0.856) 2.301 5.168 ( 7.108 -0.000 -8.380) 10.988 5.168 ( -7.108 -0.000 8.380) 10.988 5.380 ( 9.299 -0.000 -4.885) 10.505 5.380 ( -9.299 -0.000 4.885) 10.505 5.775 ( 1.882 -0.000 -2.225) 2.914 5.775 ( -1.882 -0.000 2.225) 2.914 5.888 ( -0.424 -0.000 -1.606) 1.661 5.888 ( 0.424 -0.000 1.606) 1.661 6.200 ( 2.512 -0.000 -5.558) 6.099 6.200 ( -2.512 -0.000 5.558) 6.099 6.456 ( -1.401 -0.000 -16.010) 16.071 6.456 ( 1.401 -0.000 16.010) 16.071 6.640 ( -0.808 -0.000 -7.302) 7.346 6.640 ( 0.808 -0.000 7.302) 7.346 7.135 ( 1.148 -0.000 -1.716) 2.065 7.135 ( -1.148 -0.000 1.716) 2.065 7.364 ( -0.857 -0.000 -2.737) 2.868 7.364 ( 0.857 -0.000 2.737) 2.868 7.838 ( -1.369 -0.000 -3.180) 3.462 7.838 ( 1.369 -0.000 3.180) 3.462 7.962 ( -0.840 -0.000 -0.958) 1.274 7.962 ( 0.840 -0.000 0.958) 1.274 8.393 ( -1.765 -0.000 -5.847) 6.107 8.393 ( 1.765 -0.000 5.847) 6.107 9.817 ( -1.906 -0.000 -5.566) 5.883 9.817 ( 1.906 -0.000 5.566) 5.883 10.279 ( -3.951 -0.000 -14.840) 15.357 10.279 ( 3.951 -0.000 14.840) 15.357 10.921 ( -5.712 -0.000 -19.557) 20.374 10.921 ( 5.712 -0.000 19.557) 20.374 11.398 ( 2.217 -0.000 -2.548) 3.378 11.398 ( -2.217 -0.000 2.548) 3.378 11.481 ( -6.809 -0.000 1.729) 7.025 11.481 ( 6.809 -0.000 -1.729) 7.025 11.773 ( -3.538 -0.000 -4.509) 5.731 11.773 ( 3.538 -0.000 4.509) 5.731 12.264 ( -5.882 -0.000 -4.471) 7.388 12.264 ( 5.882 -0.000 4.471) 7.388 15.871 ( -1.554 -0.000 -4.916) 5.155 15.871 ( 1.554 -0.000 4.916) 5.155 20.088 ( -1.592 -0.000 -0.416) 1.645 20.088 ( 1.592 -0.000 0.416) 1.645 23.994 ( -0.334 -0.000 -0.446) 0.558 23.994 ( 0.334 -0.000 0.446) 0.558 24.491 ( 0.283 -0.000 -1.412) 1.441 24.491 ( -0.283 -0.000 1.412) 1.441 24.763 ( -2.700 -0.000 -0.040) 2.700 24.763 ( 2.700 -0.000 0.040) 2.700 24.860 ( 4.995 -0.000 -4.108) 6.467 24.860 ( -4.995 -0.000 4.108) 6.467 25.248 ( -7.546 -0.000 0.863) 7.595 25.248 ( 7.546 -0.000 -0.863) 7.595 25.860 ( -2.526 -0.000 -7.693) 8.097 25.860 ( 2.526 -0.000 7.693) 8.097 =================== 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 3/31200 10.0 247.210 230.975 191.102 0.000 19.673 0.000 3/31200 20.0 55.667 43.618 40.518 0.000 2.899 0.000 3/31200 30.0 25.719 19.293 17.688 0.000 0.759 0.000 3/31200 40.0 15.211 11.267 10.126 0.000 0.226 0.000 3/31200 50.0 10.275 7.584 6.703 0.000 0.048 0.000 3/31200 60.0 7.577 5.591 4.880 0.000 -0.016 0.000 3/31200 70.0 5.942 4.388 3.797 0.000 -0.039 0.000 3/31200 80.0 4.870 3.600 3.098 0.000 -0.045 0.000 3/31200 90.0 4.123 3.049 2.618 0.000 -0.045 0.000 3/31200 100.0 3.577 2.646 2.270 0.000 -0.041 0.000 3/31200 110.0 3.162 2.338 2.009 0.000 -0.037 0.000 3/31200 120.0 2.837 2.097 1.806 0.000 -0.033 0.000 3/31200 130.0 2.576 1.903 1.644 0.000 -0.029 0.000 3/31200 140.0 2.362 1.744 1.512 0.000 -0.025 0.000 3/31200 150.0 2.184 1.611 1.402 0.000 -0.021 0.000 3/31200 160.0 2.033 1.498 1.310 0.000 -0.018 0.000 3/31200 170.0 1.904 1.401 1.231 0.000 -0.014 0.000 3/31200 180.0 1.792 1.318 1.162 0.000 -0.012 0.000 3/31200 190.0 1.694 1.245 1.103 0.000 -0.009 0.000 3/31200 200.0 1.608 1.180 1.050 0.000 -0.007 0.000 3/31200 210.0 1.532 1.123 1.003 0.000 -0.005 0.000 3/31200 220.0 1.463 1.072 0.962 0.000 -0.003 0.000 3/31200 230.0 1.402 1.026 0.924 0.000 -0.001 0.000 3/31200 240.0 1.346 0.984 0.890 0.000 0.000 0.000 3/31200 250.0 1.296 0.946 0.859 0.000 0.002 0.000 3/31200 260.0 1.249 0.911 0.831 0.000 0.003 0.000 3/31200 270.0 1.207 0.879 0.805 0.000 0.004 0.000 3/31200 280.0 1.167 0.850 0.780 0.000 0.005 0.000 3/31200 290.0 1.131 0.823 0.758 0.000 0.006 0.000 3/31200 300.0 1.097 0.797 0.737 0.000 0.007 0.000 3/31200 310.0 1.065 0.774 0.717 0.000 0.008 0.000 3/31200 320.0 1.036 0.751 0.699 0.000 0.008 0.000 3/31200 330.0 1.008 0.731 0.681 0.000 0.009 0.000 3/31200 340.0 0.982 0.711 0.665 0.000 0.010 0.000 3/31200 350.0 0.957 0.693 0.650 0.000 0.010 0.000 3/31200 360.0 0.934 0.675 0.635 0.000 0.011 0.000 3/31200 370.0 0.911 0.659 0.621 0.000 0.011 0.000 3/31200 380.0 0.890 0.643 0.607 0.000 0.011 0.000 3/31200 390.0 0.870 0.628 0.595 0.000 0.012 0.000 3/31200 400.0 0.851 0.614 0.583 0.000 0.012 0.000 3/31200 410.0 0.833 0.601 0.571 0.000 0.012 0.000 3/31200 420.0 0.816 0.588 0.560 0.000 0.012 0.000 3/31200 430.0 0.799 0.576 0.549 0.000 0.012 0.000 3/31200 440.0 0.783 0.564 0.539 0.000 0.013 0.000 3/31200 450.0 0.768 0.553 0.529 0.000 0.013 0.000 3/31200 460.0 0.753 0.542 0.519 0.000 0.013 0.000 3/31200 470.0 0.739 0.531 0.510 0.000 0.013 0.000 3/31200 480.0 0.725 0.521 0.501 0.000 0.013 0.000 3/31200 490.0 0.712 0.512 0.493 0.000 0.013 0.000 3/31200 500.0 0.700 0.502 0.484 0.000 0.013 0.000 3/31200 510.0 0.687 0.493 0.476 0.000 0.013 0.000 3/31200 520.0 0.676 0.485 0.469 0.000 0.013 0.000 3/31200 530.0 0.664 0.476 0.461 0.000 0.013 0.000 3/31200 540.0 0.653 0.468 0.454 0.000 0.013 0.000 3/31200 550.0 0.643 0.461 0.447 0.000 0.013 0.000 3/31200 560.0 0.632 0.453 0.440 0.000 0.013 0.000 3/31200 570.0 0.622 0.446 0.433 0.000 0.013 0.000 3/31200 580.0 0.613 0.439 0.427 0.000 0.013 0.000 3/31200 590.0 0.603 0.432 0.421 0.000 0.013 0.000 3/31200 600.0 0.594 0.425 0.415 0.000 0.013 0.000 3/31200 610.0 0.585 0.419 0.409 0.000 0.013 0.000 3/31200 620.0 0.577 0.413 0.403 0.000 0.013 0.000 3/31200 630.0 0.569 0.407 0.397 0.000 0.013 0.000 3/31200 640.0 0.560 0.401 0.392 0.000 0.012 0.000 3/31200 650.0 0.553 0.395 0.387 0.000 0.012 0.000 3/31200 660.0 0.545 0.390 0.381 0.000 0.012 0.000 3/31200 670.0 0.538 0.384 0.376 0.000 0.012 0.000 3/31200 680.0 0.530 0.379 0.371 0.000 0.012 0.000 3/31200 690.0 0.523 0.374 0.367 0.000 0.012 0.000 3/31200 700.0 0.516 0.369 0.362 0.000 0.012 0.000 3/31200 710.0 0.510 0.364 0.357 0.000 0.012 0.000 3/31200 720.0 0.503 0.359 0.353 0.000 0.012 0.000 3/31200 730.0 0.497 0.355 0.349 0.000 0.012 0.000 3/31200 740.0 0.491 0.350 0.344 0.000 0.012 0.000 3/31200 750.0 0.485 0.346 0.340 0.000 0.012 0.000 3/31200 760.0 0.479 0.342 0.336 0.000 0.012 0.000 3/31200 770.0 0.473 0.337 0.332 0.000 0.011 0.000 3/31200 780.0 0.467 0.333 0.329 0.000 0.011 0.000 3/31200 790.0 0.462 0.329 0.325 0.000 0.011 0.000 3/31200 800.0 0.456 0.325 0.321 0.000 0.011 0.000 3/31200 810.0 0.451 0.322 0.317 0.000 0.011 0.000 3/31200 820.0 0.446 0.318 0.314 0.000 0.011 0.000 3/31200 830.0 0.441 0.314 0.310 0.000 0.011 0.000 3/31200 840.0 0.436 0.311 0.307 0.000 0.011 0.000 3/31200 850.0 0.431 0.307 0.304 0.000 0.011 0.000 3/31200 860.0 0.427 0.304 0.301 0.000 0.011 0.000 3/31200 870.0 0.422 0.301 0.297 0.000 0.011 0.000 3/31200 880.0 0.417 0.297 0.294 0.000 0.011 0.000 3/31200 890.0 0.413 0.294 0.291 0.000 0.010 0.000 3/31200 900.0 0.409 0.291 0.288 0.000 0.010 0.000 3/31200 910.0 0.404 0.288 0.285 0.000 0.010 0.000 3/31200 920.0 0.400 0.285 0.282 0.000 0.010 0.000 3/31200 930.0 0.396 0.282 0.280 0.000 0.010 0.000 3/31200 940.0 0.392 0.279 0.277 0.000 0.010 0.000 3/31200 950.0 0.388 0.276 0.274 0.000 0.010 0.000 3/31200 960.0 0.385 0.274 0.272 0.000 0.010 0.000 3/31200 970.0 0.381 0.271 0.269 0.000 0.010 0.000 3/31200 980.0 0.377 0.268 0.266 0.000 0.010 0.000 3/31200 990.0 0.373 0.266 0.264 0.000 0.010 0.000 3/31200 1000.0 0.370 0.263 0.261 0.000 0.010 0.000 3/31200 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:14:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|