----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:59:19]------------------------- 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024489799999998 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): *1 Na 0.69007862299118 0.32882295762228 0.00115459512022 22.990 2 Na 0.30992137700882 0.82882295762228 0.49884540487978 22.990 *3 Na 0.30295421613192 0.42758356300299 0.69546175774702 22.990 4 Na 0.69704578386808 0.57241643699701 0.30453824225298 22.990 5 Na 0.30992137700882 0.67117704237772 0.99884540487978 22.990 6 Na 0.69704578386808 0.92758356300299 0.80453824225298 22.990 7 Na 0.30295421613192 0.07241643699701 0.19546175774701 22.990 8 Na 0.69007862299118 0.17117704237772 0.50115459512022 22.990 *9 P 0.15922013154682 0.92311254837863 0.69017765294553 30.974 10 P 0.84077986845318 0.42311254837863 0.80982234705447 30.974 *11 P 0.22261700056512 0.15537136176896 0.90393068631143 30.974 12 P 0.15922013154682 0.57688745162137 0.19017765294553 30.974 13 P 0.84077986845318 0.07688745162136 0.30982234705447 30.974 14 P 0.22261700056512 0.34462863823104 0.40393068631143 30.974 15 P 0.77738299943488 0.65537136176896 0.59606931368857 30.974 16 P 0.77738299943488 0.84462863823104 0.09606931368857 30.974 *17 O 0.04613453583300 0.37509738451335 0.12260946736544 15.999 *18 O 0.78341907916148 0.44560210559428 0.67380669074070 15.999 *19 O 0.30529419620775 0.43767681459026 0.52461117072350 15.999 *20 O 0.67838352164654 0.85418829766574 0.61460320478099 15.999 *21 O 0.34659946985110 0.65165092424811 0.19037639115973 15.999 22 O 0.95386546416700 0.87509738451335 0.37739053263456 15.999 23 O 0.32161647835346 0.14581170233426 0.38539679521901 15.999 *24 O 0.98034212767663 0.20159162721271 0.84692559220622 15.999 25 O 0.21658092083852 0.94560210559428 0.82619330925930 15.999 26 O 0.34659946985110 0.84834907575189 0.69037639115973 15.999 27 O 0.01965787232337 0.79840837278729 0.15307440779378 15.999 28 O 0.65340053014890 0.34834907575189 0.80962360884027 15.999 29 O 0.65340053014890 0.15165092424811 0.30962360884027 15.999 30 O 0.78341907916148 0.05439789440572 0.17380669074070 15.999 31 O 0.69470580379225 0.56232318540974 0.47538882927650 15.999 32 O 0.01965787232337 0.70159162721271 0.65307440779378 15.999 33 O 0.21658092083852 0.55439789440572 0.32619330925930 15.999 34 O 0.98034212767663 0.29840837278729 0.34692559220622 15.999 35 O 0.69470580379225 0.93767681459026 0.97538882927650 15.999 36 O 0.30529419620775 0.06232318540974 0.02461117072350 15.999 37 O 0.32161647835346 0.35418829766574 0.88539679521901 15.999 38 O 0.95386546416700 0.62490261548665 0.87739053263456 15.999 39 O 0.04613453583300 0.12490261548665 0.62260946736544 15.999 40 O 0.67838352164654 0.64581170233426 0.11460320478099 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024489799999998 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): *1 Na 0.69007862299118 0.32882295762228 0.00115459512022 22.990 > 1 2 Na 0.30992137700882 0.82882295762228 0.49884540487978 22.990 > 2 *3 Na 0.30295421613192 0.42758356300299 0.69546175774702 22.990 > 3 4 Na 0.69704578386808 0.57241643699701 0.30453824225298 22.990 > 4 5 Na 0.30992137700882 0.67117704237772 0.99884540487978 22.990 > 5 6 Na 0.69704578386808 0.92758356300299 0.80453824225298 22.990 > 6 7 Na 0.30295421613192 0.07241643699701 0.19546175774701 22.990 > 7 8 Na 0.69007862299118 0.17117704237772 0.50115459512022 22.990 > 8 *9 P 0.15922013154682 0.92311254837863 0.69017765294553 30.974 > 9 10 P 0.84077986845318 0.42311254837863 0.80982234705447 30.974 > 10 *11 P 0.22261700056512 0.15537136176896 0.90393068631143 30.974 > 11 12 P 0.15922013154682 0.57688745162137 0.19017765294553 30.974 > 12 13 P 0.84077986845318 0.07688745162136 0.30982234705447 30.974 > 13 14 P 0.22261700056512 0.34462863823104 0.40393068631143 30.974 > 14 15 P 0.77738299943488 0.65537136176896 0.59606931368857 30.974 > 15 16 P 0.77738299943488 0.84462863823104 0.09606931368857 30.974 > 16 *17 O 0.04613453583300 0.37509738451335 0.12260946736544 15.999 > 17 *18 O 0.78341907916148 0.44560210559428 0.67380669074070 15.999 > 18 *19 O 0.30529419620775 0.43767681459026 0.52461117072350 15.999 > 19 *20 O 0.67838352164654 0.85418829766574 0.61460320478099 15.999 > 20 *21 O 0.34659946985110 0.65165092424811 0.19037639115973 15.999 > 21 22 O 0.95386546416700 0.87509738451335 0.37739053263456 15.999 > 22 23 O 0.32161647835346 0.14581170233426 0.38539679521901 15.999 > 23 *24 O 0.98034212767663 0.20159162721271 0.84692559220622 15.999 > 24 25 O 0.21658092083852 0.94560210559428 0.82619330925930 15.999 > 25 26 O 0.34659946985110 0.84834907575189 0.69037639115973 15.999 > 26 27 O 0.01965787232337 0.79840837278729 0.15307440779378 15.999 > 27 28 O 0.65340053014890 0.34834907575189 0.80962360884027 15.999 > 28 29 O 0.65340053014890 0.15165092424811 0.30962360884027 15.999 > 29 30 O 0.78341907916148 0.05439789440572 0.17380669074070 15.999 > 30 31 O 0.69470580379225 0.56232318540974 0.47538882927650 15.999 > 31 32 O 0.01965787232337 0.70159162721271 0.65307440779378 15.999 > 32 33 O 0.21658092083852 0.55439789440572 0.32619330925930 15.999 > 33 34 O 0.98034212767663 0.29840837278729 0.34692559220622 15.999 > 34 35 O 0.69470580379225 0.93767681459026 0.97538882927650 15.999 > 35 36 O 0.30529419620775 0.06232318540974 0.02461117072350 15.999 > 36 37 O 0.32161647835346 0.35418829766574 0.88539679521901 15.999 > 37 38 O 0.95386546416700 0.62490261548665 0.87739053263456 15.999 > 38 39 O 0.04613453583300 0.12490261548665 0.62260946736544 15.999 > 39 40 O 0.67838352164654 0.64581170233426 0.11460320478099 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 12.048979599999996 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): *1 Na 0.69007862299118 0.16441147881114 0.00115459512022 22.990 > 1 2 Na 0.69007862299118 0.66441147881114 0.00115459512022 22.990 > 1 3 Na 0.30992137700882 0.41441147881114 0.49884540487978 22.990 > 2 4 Na 0.30992137700882 0.91441147881114 0.49884540487978 22.990 > 2 *5 Na 0.30295421613192 0.21379178150149 0.69546175774702 22.990 > 3 6 Na 0.30295421613192 0.71379178150150 0.69546175774702 22.990 > 3 7 Na 0.69704578386808 0.28620821849850 0.30453824225298 22.990 > 4 8 Na 0.69704578386808 0.78620821849850 0.30453824225298 22.990 > 4 9 Na 0.30992137700882 0.33558852118886 0.99884540487978 22.990 > 5 10 Na 0.30992137700882 0.83558852118886 0.99884540487978 22.990 > 5 11 Na 0.69704578386808 0.46379178150150 0.80453824225298 22.990 > 6 12 Na 0.69704578386808 0.96379178150150 0.80453824225298 22.990 > 6 13 Na 0.30295421613192 0.03620821849851 0.19546175774701 22.990 > 7 14 Na 0.30295421613192 0.53620821849850 0.19546175774701 22.990 > 7 15 Na 0.69007862299118 0.08558852118886 0.50115459512022 22.990 > 8 16 Na 0.69007862299118 0.58558852118886 0.50115459512022 22.990 > 8 *17 P 0.15922013154682 0.46155627418932 0.69017765294553 30.974 > 9 18 P 0.15922013154682 0.96155627418932 0.69017765294553 30.974 > 9 19 P 0.84077986845318 0.21155627418932 0.80982234705447 30.974 > 10 20 P 0.84077986845318 0.71155627418932 0.80982234705447 30.974 > 10 *21 P 0.22261700056512 0.07768568088448 0.90393068631143 30.974 > 11 22 P 0.22261700056512 0.57768568088448 0.90393068631143 30.974 > 11 23 P 0.15922013154682 0.28844372581068 0.19017765294553 30.974 > 12 24 P 0.15922013154682 0.78844372581068 0.19017765294553 30.974 > 12 25 P 0.84077986845318 0.03844372581068 0.30982234705447 30.974 > 13 26 P 0.84077986845318 0.53844372581068 0.30982234705447 30.974 > 13 27 P 0.22261700056512 0.17231431911552 0.40393068631143 30.974 > 14 28 P 0.22261700056512 0.67231431911552 0.40393068631143 30.974 > 14 29 P 0.77738299943488 0.32768568088448 0.59606931368857 30.974 > 15 30 P 0.77738299943488 0.82768568088448 0.59606931368857 30.974 > 15 31 P 0.77738299943488 0.42231431911552 0.09606931368857 30.974 > 16 32 P 0.77738299943488 0.92231431911552 0.09606931368857 30.974 > 16 *33 O 0.04613453583300 0.18754869225668 0.12260946736544 15.999 > 17 34 O 0.04613453583300 0.68754869225668 0.12260946736544 15.999 > 17 *35 O 0.78341907916148 0.22280105279714 0.67380669074070 15.999 > 18 36 O 0.78341907916148 0.72280105279714 0.67380669074070 15.999 > 18 *37 O 0.30529419620775 0.21883840729513 0.52461117072350 15.999 > 19 38 O 0.30529419620775 0.71883840729513 0.52461117072350 15.999 > 19 *39 O 0.67838352164654 0.42709414883287 0.61460320478099 15.999 > 20 40 O 0.67838352164654 0.92709414883287 0.61460320478099 15.999 > 20 *41 O 0.34659946985110 0.32582546212406 0.19037639115973 15.999 > 21 42 O 0.34659946985110 0.82582546212406 0.19037639115973 15.999 > 21 43 O 0.95386546416700 0.43754869225668 0.37739053263456 15.999 > 22 44 O 0.95386546416700 0.93754869225668 0.37739053263456 15.999 > 22 45 O 0.32161647835346 0.07290585116713 0.38539679521901 15.999 > 23 46 O 0.32161647835346 0.57290585116713 0.38539679521901 15.999 > 23 *47 O 0.98034212767663 0.10079581360636 0.84692559220622 15.999 > 24 48 O 0.98034212767663 0.60079581360636 0.84692559220622 15.999 > 24 49 O 0.21658092083852 0.47280105279714 0.82619330925930 15.999 > 25 50 O 0.21658092083852 0.97280105279714 0.82619330925930 15.999 > 25 51 O 0.34659946985110 0.42417453787594 0.69037639115973 15.999 > 26 52 O 0.34659946985110 0.92417453787594 0.69037639115973 15.999 > 26 53 O 0.01965787232337 0.39920418639364 0.15307440779378 15.999 > 27 54 O 0.01965787232337 0.89920418639364 0.15307440779378 15.999 > 27 55 O 0.65340053014890 0.17417453787594 0.80962360884027 15.999 > 28 56 O 0.65340053014890 0.67417453787594 0.80962360884027 15.999 > 28 57 O 0.65340053014890 0.07582546212406 0.30962360884027 15.999 > 29 58 O 0.65340053014890 0.57582546212406 0.30962360884027 15.999 > 29 59 O 0.78341907916148 0.02719894720286 0.17380669074070 15.999 > 30 60 O 0.78341907916148 0.52719894720286 0.17380669074070 15.999 > 30 61 O 0.69470580379225 0.28116159270487 0.47538882927650 15.999 > 31 62 O 0.69470580379225 0.78116159270487 0.47538882927650 15.999 > 31 63 O 0.01965787232337 0.35079581360636 0.65307440779378 15.999 > 32 64 O 0.01965787232337 0.85079581360636 0.65307440779378 15.999 > 32 65 O 0.21658092083852 0.27719894720286 0.32619330925930 15.999 > 33 66 O 0.21658092083852 0.77719894720286 0.32619330925930 15.999 > 33 67 O 0.98034212767663 0.14920418639364 0.34692559220622 15.999 > 34 68 O 0.98034212767663 0.64920418639364 0.34692559220622 15.999 > 34 69 O 0.69470580379225 0.46883840729513 0.97538882927650 15.999 > 35 70 O 0.69470580379225 0.96883840729513 0.97538882927650 15.999 > 35 71 O 0.30529419620775 0.03116159270487 0.02461117072350 15.999 > 36 72 O 0.30529419620775 0.53116159270487 0.02461117072350 15.999 > 36 73 O 0.32161647835346 0.17709414883287 0.88539679521901 15.999 > 37 74 O 0.32161647835346 0.67709414883287 0.88539679521901 15.999 > 37 75 O 0.95386546416700 0.31245130774332 0.87739053263456 15.999 > 38 76 O 0.95386546416700 0.81245130774332 0.87739053263456 15.999 > 38 77 O 0.04613453583300 0.06245130774332 0.62260946736544 15.999 > 39 78 O 0.04613453583300 0.56245130774332 0.62260946736544 15.999 > 39 79 O 0.67838352164654 0.32290585116713 0.11460320478099 15.999 > 40 80 O 0.67838352164654 0.82290585116713 0.11460320478099 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3564678 0.0000000 -0.0020790 0.0000000 2.3651436 0.0000000 -0.0020784 0.0000000 2.3655679 -------------------------- Born effective charges -------------------------- 1 Na 1.0985971 0.0522538 0.0157929 0.0960936 1.1372748 0.0678065 0.0800320 -0.0370677 1.1018691 2 Na 1.0985971 -0.0522538 0.0157929 -0.0960936 1.1372748 -0.0678065 0.0800320 0.0370677 1.1018691 3 Na 1.1838609 -0.0546742 -0.0132448 0.0442907 1.1485138 -0.0196040 -0.0965098 -0.0391578 1.0927247 4 Na 1.1838609 -0.0546742 -0.0132448 0.0442907 1.1485138 -0.0196040 -0.0965098 -0.0391578 1.0927247 5 Na 1.0985971 0.0522538 0.0157929 0.0960936 1.1372748 0.0678065 0.0800320 -0.0370677 1.1018691 6 Na 1.1838609 0.0546742 -0.0132448 -0.0442907 1.1485138 0.0196040 -0.0965098 0.0391578 1.0927247 7 Na 1.1838609 0.0546742 -0.0132448 -0.0442907 1.1485138 0.0196040 -0.0965098 0.0391578 1.0927247 8 Na 1.0985971 -0.0522538 0.0157929 -0.0960936 1.1372748 -0.0678065 0.0800320 0.0370677 1.1018691 9 P 3.2020318 0.4722553 -0.1394710 -0.0537348 3.1142570 0.5653881 -0.1210334 0.1914005 3.1630280 10 P 3.2020318 -0.4722553 -0.1394710 0.0537348 3.1142570 -0.5653881 -0.1210334 -0.1914005 3.1630280 11 P 3.0554288 -0.1812683 0.1451875 -0.6342226 3.1646280 -0.1288026 0.1210190 0.4009297 3.2572594 12 P 3.2020318 -0.4722553 -0.1394710 0.0537348 3.1142570 -0.5653881 -0.1210334 -0.1914005 3.1630280 13 P 3.2020318 0.4722553 -0.1394710 -0.0537348 3.1142570 0.5653881 -0.1210334 0.1914005 3.1630280 14 P 3.0554288 0.1812683 0.1451875 0.6342226 3.1646280 0.1288026 0.1210190 -0.4009297 3.2572594 15 P 3.0554288 0.1812683 0.1451875 0.6342226 3.1646280 0.1288026 0.1210190 -0.4009297 3.2572594 16 P 3.0554288 -0.1812683 0.1451875 -0.6342226 3.1646280 -0.1288026 0.1210190 0.4009297 3.2572594 17 O -1.0548579 0.0136627 -0.0028231 -0.1717106 -1.4337017 -0.1782441 -0.0817162 -0.2823784 -1.2669239 18 O -1.0094516 -0.2789404 0.5219600 -0.4151200 -1.5790206 0.8457895 0.5352746 0.6852290 -2.3664835 19 O -1.0386129 -0.0071800 0.0466371 -0.0519160 -1.1902912 -0.2629792 0.1328289 -0.2945216 -1.7436017 20 O -1.3652998 0.3437102 0.0297397 0.2524582 -1.4829710 -0.0811718 -0.0688683 0.0704660 -1.0900661 21 O -1.9010412 -0.2309641 -0.0118086 -0.2388636 -1.1409664 0.0618991 0.0751842 0.0766980 -1.0843843 22 O -1.0548579 -0.0136627 -0.0028231 0.1717106 -1.4337017 0.1782441 -0.0817162 0.2823784 -1.2669239 23 O -1.3652998 0.3437102 0.0297397 0.2524582 -1.4829710 -0.0811718 -0.0688683 0.0704660 -1.0900661 24 O -2.1706551 0.7866076 -0.5919696 0.9216110 -1.7377227 0.4550943 -0.5762110 0.3607336 -1.0634218 25 O -1.0094516 0.2789404 0.5219600 0.4151200 -1.5790206 -0.8457895 0.5352746 -0.6852290 -2.3664835 26 O -1.9010412 0.2309641 -0.0118086 0.2388636 -1.1409664 -0.0618991 0.0751842 -0.0766980 -1.0843843 27 O -2.1706551 0.7866076 -0.5919696 0.9216110 -1.7377227 0.4550943 -0.5762110 0.3607336 -1.0634218 28 O -1.9010412 -0.2309641 -0.0118086 -0.2388636 -1.1409664 0.0618991 0.0751842 0.0766980 -1.0843843 29 O -1.9010412 0.2309641 -0.0118086 0.2388636 -1.1409664 -0.0618991 0.0751842 -0.0766980 -1.0843843 30 O -1.0094516 0.2789404 0.5219600 0.4151200 -1.5790206 -0.8457895 0.5352746 -0.6852290 -2.3664835 31 O -1.0386129 -0.0071800 0.0466371 -0.0519160 -1.1902912 -0.2629792 0.1328289 -0.2945216 -1.7436017 32 O -2.1706551 -0.7866076 -0.5919696 -0.9216110 -1.7377227 -0.4550943 -0.5762110 -0.3607336 -1.0634218 33 O -1.0094516 -0.2789404 0.5219600 -0.4151200 -1.5790206 0.8457895 0.5352746 0.6852290 -2.3664835 34 O -2.1706551 -0.7866076 -0.5919696 -0.9216110 -1.7377227 -0.4550943 -0.5762110 -0.3607336 -1.0634218 35 O -1.0386129 0.0071800 0.0466371 0.0519160 -1.1902912 0.2629792 0.1328289 0.2945216 -1.7436017 36 O -1.0386129 0.0071800 0.0466371 0.0519160 -1.1902912 0.2629792 0.1328289 0.2945216 -1.7436017 37 O -1.3652998 -0.3437102 0.0297397 -0.2524582 -1.4829710 0.0811718 -0.0688683 -0.0704660 -1.0900661 38 O -1.0548579 0.0136627 -0.0028231 -0.1717106 -1.4337017 -0.1782441 -0.0817162 -0.2823784 -1.2669239 39 O -1.0548579 -0.0136627 -0.0028231 0.1717106 -1.4337017 0.1782441 -0.0817162 0.2823784 -1.2669239 40 O -1.3652998 -0.3437102 0.0297397 -0.2524582 -1.4829710 0.0811718 -0.0688683 -0.0704660 -1.0900661 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 16), data: (800, 36) @ (36, 16) |-- (300, 284), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 16), data: (800, 36) @ (36, 16) |-- (300, 284), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.737 Solver_block: 200 / 1200 - Time: 0.641 Solver_block: 300 / 1200 - Time: 0.641 Solver_block: 400 / 1200 - Time: 0.645 Solver_block: 500 / 1200 - Time: 0.641 Solver_block: 600 / 1200 - Time: 0.646 Solver_block: 700 / 1200 - Time: 0.643 Solver_block: 800 / 1200 - Time: 0.638 Solver_block: 900 / 1200 - Time: 0.645 Solver_block: 1000 / 1200 - Time: 0.634 Solver_block: 1100 / 1200 - Time: 0.647 Solver_block: 1200 / 1200 - Time: 0.643 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.975 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 16), data: (800, 36) @ (36, 16) |-- (300, 284), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 16), data: (800, 36) @ (36, 16) |-- (300, 284), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:00:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:00:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024489799999998 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): 1 Na 0.69007862299118 0.32882295762228 0.00115459512022 22.990 2 Na 0.30992137700882 0.82882295762228 0.49884540487978 22.990 3 Na 0.30295421613192 0.42758356300299 0.69546175774702 22.990 4 Na 0.69704578386808 0.57241643699701 0.30453824225298 22.990 5 Na 0.30992137700882 0.67117704237772 0.99884540487978 22.990 6 Na 0.69704578386808 0.92758356300299 0.80453824225298 22.990 7 Na 0.30295421613192 0.07241643699701 0.19546175774701 22.990 8 Na 0.69007862299118 0.17117704237772 0.50115459512022 22.990 9 P 0.15922013154682 0.92311254837863 0.69017765294553 30.974 10 P 0.84077986845318 0.42311254837863 0.80982234705447 30.974 11 P 0.22261700056512 0.15537136176896 0.90393068631143 30.974 12 P 0.15922013154682 0.57688745162137 0.19017765294553 30.974 13 P 0.84077986845318 0.07688745162136 0.30982234705447 30.974 14 P 0.22261700056512 0.34462863823104 0.40393068631143 30.974 15 P 0.77738299943488 0.65537136176896 0.59606931368857 30.974 16 P 0.77738299943488 0.84462863823104 0.09606931368857 30.974 17 O 0.04613453583300 0.37509738451335 0.12260946736544 15.999 18 O 0.78341907916148 0.44560210559428 0.67380669074070 15.999 19 O 0.30529419620775 0.43767681459026 0.52461117072350 15.999 20 O 0.67838352164654 0.85418829766574 0.61460320478099 15.999 21 O 0.34659946985110 0.65165092424811 0.19037639115973 15.999 22 O 0.95386546416700 0.87509738451335 0.37739053263456 15.999 23 O 0.32161647835346 0.14581170233426 0.38539679521901 15.999 24 O 0.98034212767663 0.20159162721271 0.84692559220622 15.999 25 O 0.21658092083852 0.94560210559428 0.82619330925930 15.999 26 O 0.34659946985110 0.84834907575189 0.69037639115973 15.999 27 O 0.01965787232337 0.79840837278729 0.15307440779378 15.999 28 O 0.65340053014890 0.34834907575189 0.80962360884027 15.999 29 O 0.65340053014890 0.15165092424811 0.30962360884027 15.999 30 O 0.78341907916148 0.05439789440572 0.17380669074070 15.999 31 O 0.69470580379225 0.56232318540974 0.47538882927650 15.999 32 O 0.01965787232337 0.70159162721271 0.65307440779378 15.999 33 O 0.21658092083852 0.55439789440572 0.32619330925930 15.999 34 O 0.98034212767663 0.29840837278729 0.34692559220622 15.999 35 O 0.69470580379225 0.93767681459026 0.97538882927650 15.999 36 O 0.30529419620775 0.06232318540974 0.02461117072350 15.999 37 O 0.32161647835346 0.35418829766574 0.88539679521901 15.999 38 O 0.95386546416700 0.62490261548665 0.87739053263456 15.999 39 O 0.04613453583300 0.12490261548665 0.62260946736544 15.999 40 O 0.67838352164654 0.64581170233426 0.11460320478099 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 12.048979599999996 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): 1 Na 0.69007862299118 0.16441147881114 0.00115459512022 22.990 > 1 2 Na 0.69007862299118 0.66441147881114 0.00115459512022 22.990 > 1 3 Na 0.30992137700882 0.41441147881114 0.49884540487978 22.990 > 3 4 Na 0.30992137700882 0.91441147881114 0.49884540487978 22.990 > 3 5 Na 0.30295421613192 0.21379178150149 0.69546175774702 22.990 > 5 6 Na 0.30295421613192 0.71379178150150 0.69546175774702 22.990 > 5 7 Na 0.69704578386808 0.28620821849850 0.30453824225298 22.990 > 7 8 Na 0.69704578386808 0.78620821849850 0.30453824225298 22.990 > 7 9 Na 0.30992137700882 0.33558852118886 0.99884540487978 22.990 > 9 10 Na 0.30992137700882 0.83558852118886 0.99884540487978 22.990 > 9 11 Na 0.69704578386808 0.46379178150150 0.80453824225298 22.990 > 11 12 Na 0.69704578386808 0.96379178150150 0.80453824225298 22.990 > 11 13 Na 0.30295421613192 0.03620821849851 0.19546175774701 22.990 > 13 14 Na 0.30295421613192 0.53620821849850 0.19546175774701 22.990 > 13 15 Na 0.69007862299118 0.08558852118886 0.50115459512022 22.990 > 15 16 Na 0.69007862299118 0.58558852118886 0.50115459512022 22.990 > 15 17 P 0.15922013154682 0.46155627418932 0.69017765294553 30.974 > 17 18 P 0.15922013154682 0.96155627418932 0.69017765294553 30.974 > 17 19 P 0.84077986845318 0.21155627418932 0.80982234705447 30.974 > 19 20 P 0.84077986845318 0.71155627418932 0.80982234705447 30.974 > 19 21 P 0.22261700056512 0.07768568088448 0.90393068631143 30.974 > 21 22 P 0.22261700056512 0.57768568088448 0.90393068631143 30.974 > 21 23 P 0.15922013154682 0.28844372581068 0.19017765294553 30.974 > 23 24 P 0.15922013154682 0.78844372581068 0.19017765294553 30.974 > 23 25 P 0.84077986845318 0.03844372581068 0.30982234705447 30.974 > 25 26 P 0.84077986845318 0.53844372581068 0.30982234705447 30.974 > 25 27 P 0.22261700056512 0.17231431911552 0.40393068631143 30.974 > 27 28 P 0.22261700056512 0.67231431911552 0.40393068631143 30.974 > 27 29 P 0.77738299943488 0.32768568088448 0.59606931368857 30.974 > 29 30 P 0.77738299943488 0.82768568088448 0.59606931368857 30.974 > 29 31 P 0.77738299943488 0.42231431911552 0.09606931368857 30.974 > 31 32 P 0.77738299943488 0.92231431911552 0.09606931368857 30.974 > 31 33 O 0.04613453583300 0.18754869225668 0.12260946736544 15.999 > 33 34 O 0.04613453583300 0.68754869225668 0.12260946736544 15.999 > 33 35 O 0.78341907916148 0.22280105279714 0.67380669074070 15.999 > 35 36 O 0.78341907916148 0.72280105279714 0.67380669074070 15.999 > 35 37 O 0.30529419620775 0.21883840729513 0.52461117072350 15.999 > 37 38 O 0.30529419620775 0.71883840729513 0.52461117072350 15.999 > 37 39 O 0.67838352164654 0.42709414883287 0.61460320478099 15.999 > 39 40 O 0.67838352164654 0.92709414883287 0.61460320478099 15.999 > 39 41 O 0.34659946985110 0.32582546212406 0.19037639115973 15.999 > 41 42 O 0.34659946985110 0.82582546212406 0.19037639115973 15.999 > 41 43 O 0.95386546416700 0.43754869225668 0.37739053263456 15.999 > 43 44 O 0.95386546416700 0.93754869225668 0.37739053263456 15.999 > 43 45 O 0.32161647835346 0.07290585116713 0.38539679521901 15.999 > 45 46 O 0.32161647835346 0.57290585116713 0.38539679521901 15.999 > 45 47 O 0.98034212767663 0.10079581360636 0.84692559220622 15.999 > 47 48 O 0.98034212767663 0.60079581360636 0.84692559220622 15.999 > 47 49 O 0.21658092083852 0.47280105279714 0.82619330925930 15.999 > 49 50 O 0.21658092083852 0.97280105279714 0.82619330925930 15.999 > 49 51 O 0.34659946985110 0.42417453787594 0.69037639115973 15.999 > 51 52 O 0.34659946985110 0.92417453787594 0.69037639115973 15.999 > 51 53 O 0.01965787232337 0.39920418639364 0.15307440779378 15.999 > 53 54 O 0.01965787232337 0.89920418639364 0.15307440779378 15.999 > 53 55 O 0.65340053014890 0.17417453787594 0.80962360884027 15.999 > 55 56 O 0.65340053014890 0.67417453787594 0.80962360884027 15.999 > 55 57 O 0.65340053014890 0.07582546212406 0.30962360884027 15.999 > 57 58 O 0.65340053014890 0.57582546212406 0.30962360884027 15.999 > 57 59 O 0.78341907916148 0.02719894720286 0.17380669074070 15.999 > 59 60 O 0.78341907916148 0.52719894720286 0.17380669074070 15.999 > 59 61 O 0.69470580379225 0.28116159270487 0.47538882927650 15.999 > 61 62 O 0.69470580379225 0.78116159270487 0.47538882927650 15.999 > 61 63 O 0.01965787232337 0.35079581360636 0.65307440779378 15.999 > 63 64 O 0.01965787232337 0.85079581360636 0.65307440779378 15.999 > 63 65 O 0.21658092083852 0.27719894720286 0.32619330925930 15.999 > 65 66 O 0.21658092083852 0.77719894720286 0.32619330925930 15.999 > 65 67 O 0.98034212767663 0.14920418639364 0.34692559220622 15.999 > 67 68 O 0.98034212767663 0.64920418639364 0.34692559220622 15.999 > 67 69 O 0.69470580379225 0.46883840729513 0.97538882927650 15.999 > 69 70 O 0.69470580379225 0.96883840729513 0.97538882927650 15.999 > 69 71 O 0.30529419620775 0.03116159270487 0.02461117072350 15.999 > 71 72 O 0.30529419620775 0.53116159270487 0.02461117072350 15.999 > 71 73 O 0.32161647835346 0.17709414883287 0.88539679521901 15.999 > 73 74 O 0.32161647835346 0.67709414883287 0.88539679521901 15.999 > 73 75 O 0.95386546416700 0.31245130774332 0.87739053263456 15.999 > 75 76 O 0.95386546416700 0.81245130774332 0.87739053263456 15.999 > 75 77 O 0.04613453583300 0.06245130774332 0.62260946736544 15.999 > 77 78 O 0.04613453583300 0.56245130774332 0.62260946736544 15.999 > 77 79 O 0.67838352164654 0.32290585116713 0.11460320478099 15.999 > 79 80 O 0.67838352164654 0.82290585116713 0.11460320478099 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3564678 0.0000000 -0.0020790 0.0000000 2.3651436 0.0000000 -0.0020784 0.0000000 2.3655679 -------------------------- Born effective charges -------------------------- 1 Na 1.0985971 0.0522538 0.0157929 0.0960936 1.1372748 0.0678065 0.0800320 -0.0370677 1.1018691 2 Na 1.0985971 -0.0522538 0.0157929 -0.0960936 1.1372748 -0.0678065 0.0800320 0.0370677 1.1018691 3 Na 1.1838609 -0.0546742 -0.0132448 0.0442907 1.1485138 -0.0196040 -0.0965098 -0.0391578 1.0927247 4 Na 1.1838609 -0.0546742 -0.0132448 0.0442907 1.1485138 -0.0196040 -0.0965098 -0.0391578 1.0927247 5 Na 1.0985971 0.0522538 0.0157929 0.0960936 1.1372748 0.0678065 0.0800320 -0.0370677 1.1018691 6 Na 1.1838609 0.0546742 -0.0132448 -0.0442907 1.1485138 0.0196040 -0.0965098 0.0391578 1.0927247 7 Na 1.1838609 0.0546742 -0.0132448 -0.0442907 1.1485138 0.0196040 -0.0965098 0.0391578 1.0927247 8 Na 1.0985971 -0.0522538 0.0157929 -0.0960936 1.1372748 -0.0678065 0.0800320 0.0370677 1.1018691 9 P 3.2020318 0.4722553 -0.1394710 -0.0537348 3.1142570 0.5653881 -0.1210334 0.1914005 3.1630280 10 P 3.2020318 -0.4722553 -0.1394710 0.0537348 3.1142570 -0.5653881 -0.1210334 -0.1914005 3.1630280 11 P 3.0554288 -0.1812683 0.1451875 -0.6342226 3.1646280 -0.1288026 0.1210190 0.4009297 3.2572594 12 P 3.2020318 -0.4722553 -0.1394710 0.0537348 3.1142570 -0.5653881 -0.1210334 -0.1914005 3.1630280 13 P 3.2020318 0.4722553 -0.1394710 -0.0537348 3.1142570 0.5653881 -0.1210334 0.1914005 3.1630280 14 P 3.0554288 0.1812683 0.1451875 0.6342226 3.1646280 0.1288026 0.1210190 -0.4009297 3.2572594 15 P 3.0554288 0.1812683 0.1451875 0.6342226 3.1646280 0.1288026 0.1210190 -0.4009297 3.2572594 16 P 3.0554288 -0.1812683 0.1451875 -0.6342226 3.1646280 -0.1288026 0.1210190 0.4009297 3.2572594 17 O -1.0548579 0.0136627 -0.0028231 -0.1717106 -1.4337017 -0.1782441 -0.0817162 -0.2823784 -1.2669239 18 O -1.0094516 -0.2789404 0.5219600 -0.4151200 -1.5790206 0.8457895 0.5352746 0.6852290 -2.3664835 19 O -1.0386129 -0.0071800 0.0466371 -0.0519160 -1.1902912 -0.2629792 0.1328289 -0.2945216 -1.7436017 20 O -1.3652998 0.3437102 0.0297397 0.2524582 -1.4829710 -0.0811718 -0.0688683 0.0704660 -1.0900661 21 O -1.9010412 -0.2309641 -0.0118086 -0.2388636 -1.1409664 0.0618991 0.0751842 0.0766980 -1.0843843 22 O -1.0548579 -0.0136627 -0.0028231 0.1717106 -1.4337017 0.1782441 -0.0817162 0.2823784 -1.2669239 23 O -1.3652998 0.3437102 0.0297397 0.2524582 -1.4829710 -0.0811718 -0.0688683 0.0704660 -1.0900661 24 O -2.1706551 0.7866076 -0.5919696 0.9216110 -1.7377227 0.4550943 -0.5762110 0.3607336 -1.0634218 25 O -1.0094516 0.2789404 0.5219600 0.4151200 -1.5790206 -0.8457895 0.5352746 -0.6852290 -2.3664835 26 O -1.9010412 0.2309641 -0.0118086 0.2388636 -1.1409664 -0.0618991 0.0751842 -0.0766980 -1.0843843 27 O -2.1706551 0.7866076 -0.5919696 0.9216110 -1.7377227 0.4550943 -0.5762110 0.3607336 -1.0634218 28 O -1.9010412 -0.2309641 -0.0118086 -0.2388636 -1.1409664 0.0618991 0.0751842 0.0766980 -1.0843843 29 O -1.9010412 0.2309641 -0.0118086 0.2388636 -1.1409664 -0.0618991 0.0751842 -0.0766980 -1.0843843 30 O -1.0094516 0.2789404 0.5219600 0.4151200 -1.5790206 -0.8457895 0.5352746 -0.6852290 -2.3664835 31 O -1.0386129 -0.0071800 0.0466371 -0.0519160 -1.1902912 -0.2629792 0.1328289 -0.2945216 -1.7436017 32 O -2.1706551 -0.7866076 -0.5919696 -0.9216110 -1.7377227 -0.4550943 -0.5762110 -0.3607336 -1.0634218 33 O -1.0094516 -0.2789404 0.5219600 -0.4151200 -1.5790206 0.8457895 0.5352746 0.6852290 -2.3664835 34 O -2.1706551 -0.7866076 -0.5919696 -0.9216110 -1.7377227 -0.4550943 -0.5762110 -0.3607336 -1.0634218 35 O -1.0386129 0.0071800 0.0466371 0.0519160 -1.1902912 0.2629792 0.1328289 0.2945216 -1.7436017 36 O -1.0386129 0.0071800 0.0466371 0.0519160 -1.1902912 0.2629792 0.1328289 0.2945216 -1.7436017 37 O -1.3652998 -0.3437102 0.0297397 -0.2524582 -1.4829710 0.0811718 -0.0688683 -0.0704660 -1.0900661 38 O -1.0548579 0.0136627 -0.0028231 -0.1717106 -1.4337017 -0.1782441 -0.0817162 -0.2823784 -1.2669239 39 O -1.0548579 -0.0136627 -0.0028231 0.1717106 -1.4337017 0.1782441 -0.0817162 0.2823784 -1.2669239 40 O -1.3652998 -0.3437102 0.0297397 -0.2524582 -1.4829710 0.0811718 -0.0688683 -0.0704660 -1.0900661 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 35, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 39, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 47, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:00:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:00:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024489799999998 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): 1 Na 0.69007862299118 0.32882295762228 0.00115459512022 22.990 2 Na 0.30992137700882 0.82882295762228 0.49884540487978 22.990 3 Na 0.30295421613192 0.42758356300299 0.69546175774702 22.990 4 Na 0.69704578386808 0.57241643699701 0.30453824225298 22.990 5 Na 0.30992137700882 0.67117704237772 0.99884540487978 22.990 6 Na 0.69704578386808 0.92758356300299 0.80453824225298 22.990 7 Na 0.30295421613192 0.07241643699701 0.19546175774701 22.990 8 Na 0.69007862299118 0.17117704237772 0.50115459512022 22.990 9 P 0.15922013154682 0.92311254837863 0.69017765294553 30.974 10 P 0.84077986845318 0.42311254837863 0.80982234705447 30.974 11 P 0.22261700056512 0.15537136176896 0.90393068631143 30.974 12 P 0.15922013154682 0.57688745162137 0.19017765294553 30.974 13 P 0.84077986845318 0.07688745162136 0.30982234705447 30.974 14 P 0.22261700056512 0.34462863823104 0.40393068631143 30.974 15 P 0.77738299943488 0.65537136176896 0.59606931368857 30.974 16 P 0.77738299943488 0.84462863823104 0.09606931368857 30.974 17 O 0.04613453583300 0.37509738451335 0.12260946736544 15.999 18 O 0.78341907916148 0.44560210559428 0.67380669074070 15.999 19 O 0.30529419620775 0.43767681459026 0.52461117072350 15.999 20 O 0.67838352164654 0.85418829766574 0.61460320478099 15.999 21 O 0.34659946985110 0.65165092424811 0.19037639115973 15.999 22 O 0.95386546416700 0.87509738451335 0.37739053263456 15.999 23 O 0.32161647835346 0.14581170233426 0.38539679521901 15.999 24 O 0.98034212767663 0.20159162721271 0.84692559220622 15.999 25 O 0.21658092083852 0.94560210559428 0.82619330925930 15.999 26 O 0.34659946985110 0.84834907575189 0.69037639115973 15.999 27 O 0.01965787232337 0.79840837278729 0.15307440779378 15.999 28 O 0.65340053014890 0.34834907575189 0.80962360884027 15.999 29 O 0.65340053014890 0.15165092424811 0.30962360884027 15.999 30 O 0.78341907916148 0.05439789440572 0.17380669074070 15.999 31 O 0.69470580379225 0.56232318540974 0.47538882927650 15.999 32 O 0.01965787232337 0.70159162721271 0.65307440779378 15.999 33 O 0.21658092083852 0.55439789440572 0.32619330925930 15.999 34 O 0.98034212767663 0.29840837278729 0.34692559220622 15.999 35 O 0.69470580379225 0.93767681459026 0.97538882927650 15.999 36 O 0.30529419620775 0.06232318540974 0.02461117072350 15.999 37 O 0.32161647835346 0.35418829766574 0.88539679521901 15.999 38 O 0.95386546416700 0.62490261548665 0.87739053263456 15.999 39 O 0.04613453583300 0.12490261548665 0.62260946736544 15.999 40 O 0.67838352164654 0.64581170233426 0.11460320478099 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.642655521932077 0.000000000000000 0.000000000000000 b 0.000000000000000 12.048979599999996 0.000000000000000 c -6.818416174741116 0.000000000000000 11.320424219312667 Atomic positions (fractional): 1 Na 0.69007862299118 0.16441147881114 0.00115459512022 22.990 > 1 2 Na 0.69007862299118 0.66441147881114 0.00115459512022 22.990 > 1 3 Na 0.30992137700882 0.41441147881114 0.49884540487978 22.990 > 3 4 Na 0.30992137700882 0.91441147881114 0.49884540487978 22.990 > 3 5 Na 0.30295421613192 0.21379178150149 0.69546175774702 22.990 > 5 6 Na 0.30295421613192 0.71379178150150 0.69546175774702 22.990 > 5 7 Na 0.69704578386808 0.28620821849850 0.30453824225298 22.990 > 7 8 Na 0.69704578386808 0.78620821849850 0.30453824225298 22.990 > 7 9 Na 0.30992137700882 0.33558852118886 0.99884540487978 22.990 > 9 10 Na 0.30992137700882 0.83558852118886 0.99884540487978 22.990 > 9 11 Na 0.69704578386808 0.46379178150150 0.80453824225298 22.990 > 11 12 Na 0.69704578386808 0.96379178150150 0.80453824225298 22.990 > 11 13 Na 0.30295421613192 0.03620821849851 0.19546175774701 22.990 > 13 14 Na 0.30295421613192 0.53620821849850 0.19546175774701 22.990 > 13 15 Na 0.69007862299118 0.08558852118886 0.50115459512022 22.990 > 15 16 Na 0.69007862299118 0.58558852118886 0.50115459512022 22.990 > 15 17 P 0.15922013154682 0.46155627418932 0.69017765294553 30.974 > 17 18 P 0.15922013154682 0.96155627418932 0.69017765294553 30.974 > 17 19 P 0.84077986845318 0.21155627418932 0.80982234705447 30.974 > 19 20 P 0.84077986845318 0.71155627418932 0.80982234705447 30.974 > 19 21 P 0.22261700056512 0.07768568088448 0.90393068631143 30.974 > 21 22 P 0.22261700056512 0.57768568088448 0.90393068631143 30.974 > 21 23 P 0.15922013154682 0.28844372581068 0.19017765294553 30.974 > 23 24 P 0.15922013154682 0.78844372581068 0.19017765294553 30.974 > 23 25 P 0.84077986845318 0.03844372581068 0.30982234705447 30.974 > 25 26 P 0.84077986845318 0.53844372581068 0.30982234705447 30.974 > 25 27 P 0.22261700056512 0.17231431911552 0.40393068631143 30.974 > 27 28 P 0.22261700056512 0.67231431911552 0.40393068631143 30.974 > 27 29 P 0.77738299943488 0.32768568088448 0.59606931368857 30.974 > 29 30 P 0.77738299943488 0.82768568088448 0.59606931368857 30.974 > 29 31 P 0.77738299943488 0.42231431911552 0.09606931368857 30.974 > 31 32 P 0.77738299943488 0.92231431911552 0.09606931368857 30.974 > 31 33 O 0.04613453583300 0.18754869225668 0.12260946736544 15.999 > 33 34 O 0.04613453583300 0.68754869225668 0.12260946736544 15.999 > 33 35 O 0.78341907916148 0.22280105279714 0.67380669074070 15.999 > 35 36 O 0.78341907916148 0.72280105279714 0.67380669074070 15.999 > 35 37 O 0.30529419620775 0.21883840729513 0.52461117072350 15.999 > 37 38 O 0.30529419620775 0.71883840729513 0.52461117072350 15.999 > 37 39 O 0.67838352164654 0.42709414883287 0.61460320478099 15.999 > 39 40 O 0.67838352164654 0.92709414883287 0.61460320478099 15.999 > 39 41 O 0.34659946985110 0.32582546212406 0.19037639115973 15.999 > 41 42 O 0.34659946985110 0.82582546212406 0.19037639115973 15.999 > 41 43 O 0.95386546416700 0.43754869225668 0.37739053263456 15.999 > 43 44 O 0.95386546416700 0.93754869225668 0.37739053263456 15.999 > 43 45 O 0.32161647835346 0.07290585116713 0.38539679521901 15.999 > 45 46 O 0.32161647835346 0.57290585116713 0.38539679521901 15.999 > 45 47 O 0.98034212767663 0.10079581360636 0.84692559220622 15.999 > 47 48 O 0.98034212767663 0.60079581360636 0.84692559220622 15.999 > 47 49 O 0.21658092083852 0.47280105279714 0.82619330925930 15.999 > 49 50 O 0.21658092083852 0.97280105279714 0.82619330925930 15.999 > 49 51 O 0.34659946985110 0.42417453787594 0.69037639115973 15.999 > 51 52 O 0.34659946985110 0.92417453787594 0.69037639115973 15.999 > 51 53 O 0.01965787232337 0.39920418639364 0.15307440779378 15.999 > 53 54 O 0.01965787232337 0.89920418639364 0.15307440779378 15.999 > 53 55 O 0.65340053014890 0.17417453787594 0.80962360884027 15.999 > 55 56 O 0.65340053014890 0.67417453787594 0.80962360884027 15.999 > 55 57 O 0.65340053014890 0.07582546212406 0.30962360884027 15.999 > 57 58 O 0.65340053014890 0.57582546212406 0.30962360884027 15.999 > 57 59 O 0.78341907916148 0.02719894720286 0.17380669074070 15.999 > 59 60 O 0.78341907916148 0.52719894720286 0.17380669074070 15.999 > 59 61 O 0.69470580379225 0.28116159270487 0.47538882927650 15.999 > 61 62 O 0.69470580379225 0.78116159270487 0.47538882927650 15.999 > 61 63 O 0.01965787232337 0.35079581360636 0.65307440779378 15.999 > 63 64 O 0.01965787232337 0.85079581360636 0.65307440779378 15.999 > 63 65 O 0.21658092083852 0.27719894720286 0.32619330925930 15.999 > 65 66 O 0.21658092083852 0.77719894720286 0.32619330925930 15.999 > 65 67 O 0.98034212767663 0.14920418639364 0.34692559220622 15.999 > 67 68 O 0.98034212767663 0.64920418639364 0.34692559220622 15.999 > 67 69 O 0.69470580379225 0.46883840729513 0.97538882927650 15.999 > 69 70 O 0.69470580379225 0.96883840729513 0.97538882927650 15.999 > 69 71 O 0.30529419620775 0.03116159270487 0.02461117072350 15.999 > 71 72 O 0.30529419620775 0.53116159270487 0.02461117072350 15.999 > 71 73 O 0.32161647835346 0.17709414883287 0.88539679521901 15.999 > 73 74 O 0.32161647835346 0.67709414883287 0.88539679521901 15.999 > 73 75 O 0.95386546416700 0.31245130774332 0.87739053263456 15.999 > 75 76 O 0.95386546416700 0.81245130774332 0.87739053263456 15.999 > 75 77 O 0.04613453583300 0.06245130774332 0.62260946736544 15.999 > 77 78 O 0.04613453583300 0.56245130774332 0.62260946736544 15.999 > 77 79 O 0.67838352164654 0.32290585116713 0.11460320478099 15.999 > 79 80 O 0.67838352164654 0.82290585116713 0.11460320478099 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3564678 0.0000000 -0.0020790 0.0000000 2.3651436 0.0000000 -0.0020784 0.0000000 2.3655679 -------------------------- Born effective charges -------------------------- 1 Na 1.0985971 0.0522538 0.0157929 0.0960936 1.1372748 0.0678065 0.0800320 -0.0370677 1.1018691 2 Na 1.0985971 -0.0522538 0.0157929 -0.0960936 1.1372748 -0.0678065 0.0800320 0.0370677 1.1018691 3 Na 1.1838609 -0.0546742 -0.0132448 0.0442907 1.1485138 -0.0196040 -0.0965098 -0.0391578 1.0927247 4 Na 1.1838609 -0.0546742 -0.0132448 0.0442907 1.1485138 -0.0196040 -0.0965098 -0.0391578 1.0927247 5 Na 1.0985971 0.0522538 0.0157929 0.0960936 1.1372748 0.0678065 0.0800320 -0.0370677 1.1018691 6 Na 1.1838609 0.0546742 -0.0132448 -0.0442907 1.1485138 0.0196040 -0.0965098 0.0391578 1.0927247 7 Na 1.1838609 0.0546742 -0.0132448 -0.0442907 1.1485138 0.0196040 -0.0965098 0.0391578 1.0927247 8 Na 1.0985971 -0.0522538 0.0157929 -0.0960936 1.1372748 -0.0678065 0.0800320 0.0370677 1.1018691 9 P 3.2020318 0.4722553 -0.1394710 -0.0537348 3.1142570 0.5653881 -0.1210334 0.1914005 3.1630280 10 P 3.2020318 -0.4722553 -0.1394710 0.0537348 3.1142570 -0.5653881 -0.1210334 -0.1914005 3.1630280 11 P 3.0554288 -0.1812683 0.1451875 -0.6342226 3.1646280 -0.1288026 0.1210190 0.4009297 3.2572594 12 P 3.2020318 -0.4722553 -0.1394710 0.0537348 3.1142570 -0.5653881 -0.1210334 -0.1914005 3.1630280 13 P 3.2020318 0.4722553 -0.1394710 -0.0537348 3.1142570 0.5653881 -0.1210334 0.1914005 3.1630280 14 P 3.0554288 0.1812683 0.1451875 0.6342226 3.1646280 0.1288026 0.1210190 -0.4009297 3.2572594 15 P 3.0554288 0.1812683 0.1451875 0.6342226 3.1646280 0.1288026 0.1210190 -0.4009297 3.2572594 16 P 3.0554288 -0.1812683 0.1451875 -0.6342226 3.1646280 -0.1288026 0.1210190 0.4009297 3.2572594 17 O -1.0548579 0.0136627 -0.0028231 -0.1717106 -1.4337017 -0.1782441 -0.0817162 -0.2823784 -1.2669239 18 O -1.0094516 -0.2789404 0.5219600 -0.4151200 -1.5790206 0.8457895 0.5352746 0.6852290 -2.3664835 19 O -1.0386129 -0.0071800 0.0466371 -0.0519160 -1.1902912 -0.2629792 0.1328289 -0.2945216 -1.7436017 20 O -1.3652998 0.3437102 0.0297397 0.2524582 -1.4829710 -0.0811718 -0.0688683 0.0704660 -1.0900661 21 O -1.9010412 -0.2309641 -0.0118086 -0.2388636 -1.1409664 0.0618991 0.0751842 0.0766980 -1.0843843 22 O -1.0548579 -0.0136627 -0.0028231 0.1717106 -1.4337017 0.1782441 -0.0817162 0.2823784 -1.2669239 23 O -1.3652998 0.3437102 0.0297397 0.2524582 -1.4829710 -0.0811718 -0.0688683 0.0704660 -1.0900661 24 O -2.1706551 0.7866076 -0.5919696 0.9216110 -1.7377227 0.4550943 -0.5762110 0.3607336 -1.0634218 25 O -1.0094516 0.2789404 0.5219600 0.4151200 -1.5790206 -0.8457895 0.5352746 -0.6852290 -2.3664835 26 O -1.9010412 0.2309641 -0.0118086 0.2388636 -1.1409664 -0.0618991 0.0751842 -0.0766980 -1.0843843 27 O -2.1706551 0.7866076 -0.5919696 0.9216110 -1.7377227 0.4550943 -0.5762110 0.3607336 -1.0634218 28 O -1.9010412 -0.2309641 -0.0118086 -0.2388636 -1.1409664 0.0618991 0.0751842 0.0766980 -1.0843843 29 O -1.9010412 0.2309641 -0.0118086 0.2388636 -1.1409664 -0.0618991 0.0751842 -0.0766980 -1.0843843 30 O -1.0094516 0.2789404 0.5219600 0.4151200 -1.5790206 -0.8457895 0.5352746 -0.6852290 -2.3664835 31 O -1.0386129 -0.0071800 0.0466371 -0.0519160 -1.1902912 -0.2629792 0.1328289 -0.2945216 -1.7436017 32 O -2.1706551 -0.7866076 -0.5919696 -0.9216110 -1.7377227 -0.4550943 -0.5762110 -0.3607336 -1.0634218 33 O -1.0094516 -0.2789404 0.5219600 -0.4151200 -1.5790206 0.8457895 0.5352746 0.6852290 -2.3664835 34 O -2.1706551 -0.7866076 -0.5919696 -0.9216110 -1.7377227 -0.4550943 -0.5762110 -0.3607336 -1.0634218 35 O -1.0386129 0.0071800 0.0466371 0.0519160 -1.1902912 0.2629792 0.1328289 0.2945216 -1.7436017 36 O -1.0386129 0.0071800 0.0466371 0.0519160 -1.1902912 0.2629792 0.1328289 0.2945216 -1.7436017 37 O -1.3652998 -0.3437102 0.0297397 -0.2524582 -1.4829710 0.0811718 -0.0688683 -0.0704660 -1.0900661 38 O -1.0548579 0.0136627 -0.0028231 -0.1717106 -1.4337017 -0.1782441 -0.0817162 -0.2823784 -1.2669239 39 O -1.0548579 -0.0136627 -0.0028231 0.1717106 -1.4337017 0.1782441 -0.0817162 0.2823784 -1.2669239 40 O -1.3652998 -0.3437102 0.0297397 -0.2524582 -1.4829710 0.0811718 -0.0688683 -0.0704660 -1.0900661 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.52, Number of G-points: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 1.738 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.660 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.192 ( 0.000 0.000 0.000) 0.000 14.063 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 14.530 ( 0.000 0.000 0.000) 0.000 14.943 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.872 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 0.000) 0.000 16.202 ( 0.000 0.000 0.000) 0.000 16.331 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.542 ( 0.000 0.000 0.000) 0.000 16.714 ( 0.000 0.000 0.000) 0.000 19.758 ( 0.000 0.000 0.000) 0.000 19.767 ( 0.000 0.000 0.000) 0.000 20.603 ( 0.000 0.000 0.000) 0.000 20.682 ( 0.000 0.000 0.000) 0.000 20.902 ( 0.000 0.000 0.000) 0.000 21.031 ( 0.000 0.000 0.000) 0.000 22.259 ( 0.000 0.000 0.000) 0.000 22.484 ( 0.000 0.000 0.000) 0.000 25.405 ( 0.000 0.000 0.000) 0.000 25.405 ( 0.000 0.000 0.000) 0.000 28.638 ( 0.000 0.000 0.000) 0.000 28.890 ( 0.000 0.000 0.000) 0.000 29.060 ( 0.000 0.000 0.000) 0.000 30.034 ( 0.000 0.000 0.000) 0.000 30.089 ( 0.000 0.000 0.000) 0.000 30.115 ( 0.000 0.000 0.000) 0.000 31.163 ( 0.000 0.000 0.000) 0.000 31.401 ( 0.000 0.000 0.000) 0.000 31.976 ( 0.000 0.000 0.000) 0.000 31.988 ( 0.000 0.000 0.000) 0.000 32.025 ( 0.000 0.000 0.000) 0.000 32.349 ( 0.000 0.000 0.000) 0.000 33.063 ( 0.000 0.000 0.000) 0.000 33.068 ( 0.000 0.000 0.000) 0.000 36.569 ( 0.000 0.000 0.000) 0.000 36.647 ( 0.000 0.000 0.000) 0.000 36.679 ( 0.000 0.000 0.000) 0.000 36.816 ( 0.000 0.000 0.000) 0.000 36.890 ( 0.000 0.000 0.000) 0.000 37.010 ( 0.000 0.000 0.000) 0.000 37.125 ( 0.000 0.000 0.000) 0.000 37.487 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 18.925 0.000 9.780) 21.303 0.441 ( 21.480 0.000 8.912) 23.256 1.011 ( 42.419 0.000 15.920) 45.308 1.879 ( 17.444 0.000 0.955) 17.470 2.119 ( -1.225 0.000 -19.983) 20.020 2.329 ( -9.701 0.000 -8.215) 12.712 2.344 ( 1.660 0.000 -9.496) 9.640 2.510 ( -4.323 0.000 2.728) 5.112 2.704 ( 7.541 0.000 10.348) 12.804 2.750 ( 3.908 0.000 8.019) 8.921 3.026 ( 0.644 0.000 -1.206) 1.367 3.323 ( -2.827 0.000 4.420) 5.247 3.353 ( -1.845 0.000 1.867) 2.625 3.421 ( 8.445 0.000 -6.169) 10.458 3.474 ( 8.879 0.000 5.567) 10.480 3.620 ( -13.899 0.000 -4.225) 14.527 3.650 ( 7.317 0.000 5.776) 9.322 3.795 ( 2.269 0.000 2.037) 3.049 3.959 ( -0.700 0.000 0.326) 0.772 4.123 ( -2.129 0.000 0.577) 2.206 4.259 ( 6.171 0.000 -2.926) 6.829 4.278 ( -2.667 0.000 -0.753) 2.771 4.428 ( -5.623 0.000 3.049) 6.397 4.517 ( -2.749 0.000 -1.330) 3.054 4.583 ( -1.114 0.000 -0.866) 1.412 4.633 ( 3.617 0.000 1.606) 3.958 4.776 ( 9.403 0.000 1.297) 9.492 4.887 ( 7.421 0.000 -0.949) 7.482 4.948 ( 0.115 0.000 -4.266) 4.268 4.965 ( -7.709 0.000 -1.991) 7.962 5.029 ( -2.570 0.000 1.116) 2.802 5.137 ( -2.179 0.000 -0.937) 2.372 5.207 ( 3.655 0.000 0.276) 3.665 5.255 ( 3.025 0.000 -0.007) 3.025 5.368 ( 2.490 0.000 -4.058) 4.761 5.421 ( 9.095 0.000 -6.853) 11.388 5.520 ( -6.347 0.000 -2.155) 6.703 5.736 ( 4.393 0.000 -0.641) 4.440 5.778 ( 0.960 0.000 8.201) 8.257 5.886 ( 8.055 0.000 -4.151) 9.061 5.969 ( 0.650 0.000 -4.663) 4.708 6.062 ( 0.571 0.000 3.763) 3.807 6.200 ( -3.707 0.000 8.505) 9.278 6.248 ( 7.592 0.000 3.445) 8.338 6.257 ( -0.391 0.000 0.609) 0.724 6.332 ( 0.963 0.000 -0.059) 0.965 6.371 ( -1.947 0.000 -0.058) 1.948 6.732 ( 0.432 0.000 -11.509) 11.517 7.412 ( 0.177 0.000 0.408) 0.445 7.487 ( -0.477 0.000 0.657) 0.812 7.631 ( -2.075 0.000 -5.201) 5.599 7.670 ( -4.540 0.000 -1.369) 4.742 7.699 ( -0.075 0.000 0.623) 0.627 7.700 ( -0.901 0.000 -2.293) 2.464 7.835 ( -0.413 0.000 -1.879) 1.924 7.919 ( -4.208 0.000 6.657) 7.875 9.529 ( -2.217 0.000 1.506) 2.680 9.622 ( -3.138 0.000 -2.286) 3.882 9.884 ( -3.551 0.000 -0.435) 3.578 9.915 ( -3.398 0.000 0.141) 3.401 10.036 ( -2.449 0.000 -0.971) 2.634 10.054 ( -2.804 0.000 -0.842) 2.928 10.382 ( 0.329 0.000 2.308) 2.331 10.567 ( 0.794 0.000 1.460) 1.661 11.425 ( -0.917 0.000 -0.499) 1.044 11.475 ( 1.233 0.000 1.099) 1.652 11.505 ( -0.208 0.000 0.219) 0.302 11.557 ( 0.324 0.000 -0.505) 0.601 11.904 ( -4.272 0.000 -0.190) 4.276 11.956 ( -2.928 0.000 0.565) 2.982 12.387 ( -1.120 0.000 0.431) 1.200 12.447 ( -0.308 0.000 -0.797) 0.855 12.990 ( 2.193 0.000 2.787) 3.547 13.162 ( -1.755 0.000 -2.677) 3.200 14.080 ( 1.198 0.000 1.644) 2.035 14.312 ( 3.022 0.000 -7.413) 8.006 14.487 ( -7.036 0.000 9.738) 12.014 14.920 ( -1.620 0.000 -2.098) 2.651 15.152 ( -3.442 0.000 -0.470) 3.474 15.309 ( -3.493 0.000 4.461) 5.666 15.880 ( 1.428 0.000 -1.055) 1.775 16.057 ( 0.137 0.000 -1.184) 1.192 16.060 ( 7.754 0.000 -9.747) 12.455 16.227 ( 2.216 0.000 0.709) 2.326 16.529 ( 0.492 0.000 -0.911) 1.035 16.563 ( 1.562 0.000 1.555) 2.204 16.696 ( -1.568 0.000 -0.822) 1.770 16.735 ( -6.831 0.000 8.868) 11.194 19.755 ( 0.439 0.000 -1.157) 1.237 19.794 ( 2.327 0.000 1.251) 2.642 20.595 ( -0.327 0.000 -1.321) 1.361 20.686 ( 0.292 0.000 0.139) 0.323 20.986 ( -3.745 0.000 -2.248) 4.368 21.035 ( -3.506 0.000 4.439) 5.657 22.307 ( 3.753 0.000 2.621) 4.578 22.519 ( 3.549 0.000 0.811) 3.641 25.392 ( -1.201 0.000 -0.390) 1.263 25.403 ( -0.493 0.000 0.471) 0.681 28.868 ( -2.669 0.000 9.938) 10.291 29.050 ( 1.854 0.000 -6.279) 6.547 30.041 ( 0.460 0.000 0.418) 0.622 30.096 ( -4.170 0.000 6.686) 7.880 30.113 ( 1.779 0.000 -0.474) 1.841 30.278 ( -1.762 0.000 1.607) 2.384 31.136 ( -1.625 0.000 -2.460) 2.948 31.420 ( 2.465 0.000 -0.032) 2.465 32.004 ( -0.693 0.000 3.129) 3.205 32.004 ( 3.452 0.000 -0.604) 3.505 32.325 ( -3.544 0.000 1.288) 3.770 32.523 ( 4.607 0.000 -9.973) 10.985 33.052 ( -0.971 0.000 -0.521) 1.102 33.073 ( 0.101 0.000 0.630) 0.638 36.571 ( 0.386 0.000 -0.063) 0.391 36.682 ( -0.105 0.000 0.894) 0.901 36.797 ( 7.096 0.000 -10.725) 12.860 36.835 ( 1.533 0.000 0.422) 1.590 37.004 ( 0.516 0.000 -2.062) 2.126 37.114 ( 0.064 0.000 -1.774) 1.775 37.468 ( -7.060 0.000 8.722) 11.222 37.490 ( -1.278 0.000 2.378) 2.700 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 17.920 0.000 6.570) 19.086 0.888 ( 22.607 0.000 8.847) 24.276 1.503 ( 8.696 0.000 1.551) 8.833 1.925 ( -1.247 0.000 -13.978) 14.034 2.104 ( -2.001 0.000 -1.024) 2.247 2.217 ( 2.642 0.000 -3.038) 4.026 2.553 ( 12.431 0.000 3.581) 12.937 2.583 ( 31.732 0.000 4.120) 31.998 2.804 ( -1.673 0.000 -0.351) 1.710 2.859 ( -1.355 0.000 8.302) 8.412 3.047 ( 2.169 0.000 0.277) 2.186 3.236 ( -12.887 0.000 -3.788) 13.432 3.332 ( 1.039 0.000 0.270) 1.074 3.380 ( -4.253 0.000 -4.662) 6.311 3.517 ( 8.578 0.000 -3.450) 9.246 3.602 ( 5.588 0.000 -1.249) 5.726 3.796 ( -0.236 0.000 7.300) 7.304 3.894 ( 5.208 0.000 2.742) 5.885 3.959 ( -0.744 0.000 -0.413) 0.851 4.123 ( 1.577 0.000 -0.092) 1.580 4.269 ( 5.116 0.000 -1.628) 5.368 4.325 ( 6.079 0.000 -3.121) 6.834 4.363 ( -5.338 0.000 3.082) 6.163 4.471 ( -0.623 0.000 -3.339) 3.397 4.581 ( 0.893 0.000 1.314) 1.589 4.679 ( -4.800 0.000 -0.796) 4.865 4.815 ( -3.385 0.000 3.107) 4.595 4.880 ( 1.957 0.000 -8.461) 8.685 4.987 ( 11.093 0.000 4.887) 12.122 4.987 ( -5.313 0.000 -1.163) 5.438 5.052 ( 4.320 0.000 0.452) 4.343 5.078 ( 3.357 0.000 1.663) 3.746 5.262 ( 0.037 0.000 -0.345) 0.347 5.320 ( 0.931 0.000 -4.872) 4.960 5.331 ( 0.859 0.000 -2.894) 3.019 5.352 ( 1.524 0.000 0.897) 1.769 5.597 ( 6.266 0.000 2.035) 6.588 5.804 ( -2.510 0.000 8.192) 8.568 5.934 ( 1.362 0.000 -6.443) 6.586 5.946 ( 10.337 0.000 5.540) 11.728 5.990 ( 8.638 0.000 -4.576) 9.775 6.087 ( -0.312 0.000 1.039) 1.084 6.191 ( -8.084 0.000 4.691) 9.346 6.264 ( 0.041 0.000 3.066) 3.066 6.287 ( 0.035 0.000 -1.117) 1.117 6.340 ( -0.865 0.000 -1.164) 1.450 6.407 ( 4.751 0.000 -2.595) 5.414 6.643 ( -2.326 0.000 1.646) 2.850 7.397 ( -1.794 0.000 -0.830) 1.977 7.464 ( -3.490 0.000 0.843) 3.591 7.520 ( -5.407 0.000 -4.037) 6.747 7.585 ( -2.226 0.000 -2.746) 3.535 7.639 ( -3.817 0.000 -2.084) 4.349 7.729 ( 2.935 0.000 1.479) 3.286 7.818 ( 0.553 0.000 -1.381) 1.487 7.914 ( -2.768 0.000 3.962) 4.833 9.503 ( -3.188 0.000 2.697) 4.176 9.520 ( -5.850 0.000 -2.806) 6.488 9.808 ( -4.906 0.000 -0.495) 4.931 9.859 ( -2.616 0.000 -0.468) 2.658 9.963 ( -4.205 0.000 -2.246) 4.767 9.985 ( -3.618 0.000 -1.816) 4.048 10.412 ( 0.074 0.000 2.701) 2.702 10.584 ( -0.696 0.000 1.107) 1.308 11.408 ( -0.790 0.000 -0.042) 0.791 11.505 ( 0.001 0.000 0.164) 0.164 11.512 ( 1.783 0.000 1.344) 2.232 11.563 ( 1.045 0.000 -0.658) 1.235 11.809 ( -6.448 0.000 -0.287) 6.454 11.898 ( -4.065 0.000 -0.514) 4.097 12.368 ( -1.671 0.000 0.455) 1.732 12.427 ( -0.770 0.000 -1.187) 1.415 13.079 ( 3.814 0.000 4.696) 6.050 13.096 ( -2.147 0.000 -3.431) 4.047 14.140 ( 2.821 0.000 4.263) 5.111 14.271 ( 2.560 0.000 -9.935) 10.260 14.476 ( -7.008 0.000 11.788) 13.714 14.840 ( -2.749 0.000 -7.776) 8.248 15.066 ( -6.493 0.000 0.807) 6.543 15.294 ( -2.311 0.000 2.230) 3.211 15.892 ( 1.322 0.000 -1.232) 1.807 16.070 ( 2.397 0.000 0.005) 2.397 16.088 ( 3.958 0.000 -4.603) 6.071 16.275 ( 2.341 0.000 0.813) 2.478 16.529 ( 1.056 0.000 -1.426) 1.775 16.616 ( 2.262 0.000 2.254) 3.193 16.650 ( -2.428 0.000 -1.623) 2.921 16.712 ( -3.022 0.000 3.325) 4.493 19.752 ( 0.827 0.000 -1.543) 1.751 19.858 ( 3.262 0.000 1.789) 3.720 20.571 ( -0.832 0.000 -1.280) 1.527 20.689 ( 0.026 0.000 -0.352) 0.353 20.887 ( -4.495 0.000 -2.739) 5.264 21.019 ( -2.335 0.000 2.191) 3.202 22.406 ( 3.864 0.000 3.527) 5.232 22.602 ( 4.862 0.000 1.060) 4.977 25.363 ( -1.667 0.000 -0.536) 1.751 25.399 ( -0.670 0.000 0.697) 0.967 28.939 ( 1.948 0.000 4.971) 5.339 28.973 ( -1.028 0.000 -10.870) 10.919 30.055 ( 0.294 0.000 0.943) 0.988 30.116 ( -2.841 0.000 9.997) 10.393 30.157 ( 3.210 0.000 0.252) 3.220 30.260 ( -1.211 0.000 -0.024) 1.211 31.072 ( -2.206 0.000 -3.411) 4.063 31.481 ( 4.630 0.000 0.596) 4.668 32.026 ( -0.669 0.000 3.284) 3.351 32.049 ( 2.675 0.000 -2.536) 3.686 32.275 ( -4.194 0.000 3.096) 5.213 32.497 ( 1.847 0.000 -5.660) 5.954 33.024 ( -1.501 0.000 -0.832) 1.716 33.081 ( -0.011 0.000 0.757) 0.757 36.587 ( 1.221 0.000 0.777) 1.447 36.694 ( -0.166 0.000 1.900) 1.908 36.808 ( 3.615 0.000 -5.022) 6.187 36.849 ( 0.230 0.000 -1.498) 1.516 36.988 ( 0.704 0.000 -3.068) 3.148 37.113 ( 1.737 0.000 -0.627) 1.846 37.431 ( -5.097 0.000 4.318) 6.680 37.489 ( -2.111 0.000 2.950) 3.627 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 14.856 0.000 0.302) 14.859 1.333 ( 17.862 0.000 11.603) 21.300 1.491 ( -8.414 0.000 1.363) 8.524 1.800 ( 0.429 0.000 -11.953) 11.961 2.066 ( 2.875 0.000 -3.530) 4.552 2.310 ( 7.611 0.000 3.307) 8.298 2.656 ( 0.012 0.000 0.607) 0.608 2.705 ( -7.611 0.000 -2.864) 8.132 2.858 ( -5.461 0.000 4.472) 7.058 3.001 ( 0.014 0.000 2.425) 2.425 3.071 ( 0.367 0.000 0.585) 0.691 3.218 ( 6.431 0.000 0.590) 6.458 3.318 ( -4.006 0.000 0.436) 4.030 3.376 ( 16.568 0.000 0.758) 16.585 3.592 ( 8.644 0.000 -12.146) 14.908 3.658 ( 2.976 0.000 0.821) 3.087 3.850 ( -0.053 0.000 6.597) 6.597 3.966 ( 2.962 0.000 0.404) 2.989 3.991 ( 4.886 0.000 0.361) 4.899 4.164 ( 4.098 0.000 -1.023) 4.223 4.303 ( -1.682 0.000 -5.203) 5.469 4.320 ( -4.278 0.000 3.584) 5.581 4.419 ( -1.349 0.000 -3.035) 3.321 4.427 ( 8.734 0.000 -0.303) 8.739 4.560 ( -3.633 0.000 2.807) 4.591 4.640 ( 3.356 0.000 3.264) 4.682 4.811 ( -9.462 0.000 -2.901) 9.897 4.831 ( 0.163 0.000 -5.630) 5.633 4.900 ( 4.701 0.000 4.674) 6.629 5.076 ( -0.622 0.000 -1.927) 2.024 5.151 ( 2.389 0.000 -1.366) 2.752 5.166 ( 2.832 0.000 0.005) 2.832 5.281 ( 1.470 0.000 5.430) 5.626 5.315 ( 5.248 0.000 -1.237) 5.392 5.375 ( 5.139 0.000 1.255) 5.290 5.432 ( 3.397 0.000 1.737) 3.816 5.669 ( -1.043 0.000 0.957) 1.416 5.801 ( -4.732 0.000 3.875) 6.116 5.875 ( -0.426 0.000 -6.580) 6.594 5.930 ( -10.959 0.000 -7.435) 13.243 6.048 ( -0.690 0.000 1.013) 1.226 6.119 ( 3.836 0.000 -1.771) 4.226 6.194 ( 6.456 0.000 4.739) 8.008 6.285 ( -1.336 0.000 1.210) 1.803 6.315 ( 0.034 0.000 4.357) 4.357 6.347 ( 5.478 0.000 -1.896) 5.797 6.460 ( 4.005 0.000 2.372) 4.655 6.650 ( -2.078 0.000 1.615) 2.632 7.367 ( -0.295 0.000 -0.703) 0.762 7.393 ( -4.946 0.000 -0.369) 4.960 7.410 ( -3.521 0.000 -1.269) 3.742 7.533 ( -3.628 0.000 0.595) 3.676 7.558 ( -1.455 0.000 -3.604) 3.886 7.810 ( 4.157 0.000 1.501) 4.419 7.820 ( 0.624 0.000 -0.575) 0.848 7.909 ( -1.231 0.000 1.748) 2.138 9.398 ( -5.161 0.000 -2.127) 5.582 9.484 ( -2.129 0.000 2.353) 3.173 9.726 ( -4.110 0.000 -0.242) 4.117 9.832 ( -0.887 0.000 0.945) 1.296 9.872 ( -3.346 0.000 -2.580) 4.225 9.912 ( -2.582 0.000 -2.306) 3.462 10.434 ( -0.147 0.000 1.660) 1.667 10.570 ( -1.441 0.000 0.284) 1.468 11.399 ( -0.413 0.000 0.135) 0.435 11.510 ( 0.516 0.000 -0.089) 0.523 11.558 ( 2.115 0.000 1.271) 2.468 11.570 ( 0.526 0.000 -1.146) 1.261 11.713 ( -4.591 0.000 0.429) 4.611 11.823 ( -3.774 0.000 -0.954) 3.893 12.346 ( -1.201 0.000 0.217) 1.220 12.403 ( -0.757 0.000 -0.876) 1.157 13.038 ( -1.307 0.000 -2.206) 2.564 13.187 ( 3.304 0.000 4.030) 5.211 14.216 ( 0.736 0.000 -5.859) 5.905 14.259 ( 4.276 0.000 8.022) 9.090 14.485 ( -3.540 0.000 7.034) 7.874 14.671 ( -4.662 0.000 -13.065) 13.872 14.987 ( -4.575 0.000 2.180) 5.068 15.280 ( -1.165 0.000 0.876) 1.458 15.898 ( 0.596 0.000 -0.744) 0.954 16.094 ( 1.209 0.000 -2.392) 2.680 16.127 ( 2.964 0.000 1.427) 3.289 16.309 ( 1.161 0.000 0.190) 1.176 16.535 ( 1.081 0.000 -1.060) 1.514 16.595 ( -2.038 0.000 -1.595) 2.588 16.670 ( 1.545 0.000 1.943) 2.482 16.705 ( -0.663 0.000 1.048) 1.240 19.752 ( 0.738 0.000 -1.027) 1.265 19.922 ( 2.306 0.000 1.298) 2.646 20.547 ( -0.606 0.000 -0.913) 1.096 20.674 ( -0.805 0.000 -1.228) 1.468 20.810 ( -2.241 0.000 -1.096) 2.494 21.005 ( -1.319 0.000 1.123) 1.733 22.485 ( 1.858 0.000 2.362) 3.005 22.681 ( 3.349 0.000 0.697) 3.421 25.334 ( -1.157 0.000 -0.368) 1.214 25.396 ( -0.457 0.000 0.520) 0.692 28.834 ( -2.649 0.000 -8.526) 8.928 29.014 ( 2.259 0.000 2.433) 3.320 30.066 ( -0.150 0.000 1.058) 1.069 30.177 ( 0.329 0.000 4.536) 4.548 30.217 ( 1.866 0.000 3.128) 3.642 30.241 ( -0.612 0.000 -0.624) 0.874 31.011 ( -1.490 0.000 -2.393) 2.820 31.575 ( 5.120 0.000 1.339) 5.292 32.014 ( -2.731 0.000 -3.237) 4.235 32.042 ( -0.609 0.000 2.101) 2.188 32.273 ( -0.254 0.000 2.899) 2.910 32.477 ( 0.943 0.000 -2.890) 3.040 32.993 ( -1.177 0.000 -0.673) 1.355 33.086 ( -0.106 0.000 0.456) 0.468 36.623 ( 1.516 0.000 1.613) 2.213 36.712 ( -0.182 0.000 2.216) 2.224 36.813 ( 1.889 0.000 -3.237) 3.748 36.815 ( -1.123 0.000 -2.758) 2.977 36.971 ( 0.459 0.000 -2.172) 2.220 37.150 ( 2.126 0.000 0.544) 2.194 37.394 ( -3.025 0.000 2.186) 3.732 37.480 ( -1.732 0.000 1.914) 2.581 ======================= Grid point 4 (5/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 0.000 0.000) 0.000 1.367 ( -0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.642 ( -0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.189 ( -0.000 0.000 -0.000) 0.000 3.266 ( 0.000 0.000 -0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 -0.000) 0.000 3.892 ( 0.000 0.000 -0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.203 ( -0.000 0.000 0.000) 0.000 4.219 ( -0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 -0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.021 ( -0.000 0.000 -0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 -0.000) 0.000 5.766 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 -0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.559 ( -0.000 0.000 -0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 -0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 9.870 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 -0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 -0.000) 0.000 11.563 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.679 ( -0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.392 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.492 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 15.275 ( 0.000 0.000 0.000) 0.000 15.899 ( 0.000 0.000 0.000) 0.000 16.090 ( 0.000 0.000 0.000) 0.000 16.165 ( 0.000 0.000 0.000) 0.000 16.318 ( 0.000 0.000 -0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 16.698 ( 0.000 0.000 0.000) 0.000 16.702 ( -0.000 0.000 -0.000) 0.000 19.753 ( 0.000 0.000 0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 20.656 ( 0.000 0.000 0.000) 0.000 20.789 ( 0.000 0.000 0.000) 0.000 21.000 ( 0.000 0.000 0.000) 0.000 22.511 ( 0.000 0.000 0.000) 0.000 22.714 ( 0.000 0.000 0.000) 0.000 25.322 ( 0.000 0.000 0.000) 0.000 25.395 ( 0.000 0.000 0.000) 0.000 28.764 ( 0.000 0.000 0.000) 0.000 29.047 ( 0.000 0.000 0.000) 0.000 30.070 ( 0.000 0.000 -0.000) 0.000 30.202 ( 0.000 0.000 0.000) 0.000 30.232 ( 0.000 0.000 0.000) 0.000 30.254 ( 0.000 0.000 0.000) 0.000 30.985 ( 0.000 0.000 0.000) 0.000 31.637 ( 0.000 0.000 0.000) 0.000 31.959 ( 0.000 0.000 0.000) 0.000 32.047 ( 0.000 0.000 0.000) 0.000 32.290 ( 0.000 0.000 0.000) 0.000 32.471 ( 0.000 0.000 0.000) 0.000 32.979 ( 0.000 0.000 0.000) 0.000 33.087 ( 0.000 0.000 0.000) 0.000 36.650 ( 0.000 0.000 0.000) 0.000 36.724 ( 0.000 0.000 0.000) 0.000 36.785 ( 0.000 0.000 0.000) 0.000 36.811 ( 0.000 0.000 0.000) 0.000 36.963 ( 0.000 0.000 0.000) 0.000 37.173 ( 0.000 0.000 0.000) 0.000 37.380 ( 0.000 0.000 0.000) 0.000 37.475 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 27.043 0.000) 27.043 0.607 ( 0.000 29.334 0.000) 29.334 1.022 ( 0.000 47.121 0.000) 47.121 1.857 ( 0.000 10.544 0.000) 10.544 2.152 ( 0.000 -9.362 0.000) 9.362 2.288 ( 0.000 -4.755 0.000) 4.755 2.511 ( 0.000 1.715 0.000) 1.715 2.577 ( 0.000 2.646 0.000) 2.646 2.646 ( 0.000 1.199 0.000) 1.199 2.728 ( 0.000 9.184 0.000) 9.184 3.037 ( 0.000 1.592 0.000) 1.592 3.218 ( 0.000 -3.937 0.000) 3.937 3.284 ( 0.000 -3.399 0.000) 3.399 3.311 ( 0.000 -4.512 0.000) 4.512 3.346 ( 0.000 -2.374 0.000) 2.374 3.627 ( 0.000 3.395 0.000) 3.395 3.703 ( 0.000 -2.637 0.000) 2.637 3.865 ( 0.000 4.242 0.000) 4.242 3.970 ( 0.000 -0.081 0.000) 0.081 4.162 ( 0.000 0.064 0.000) 0.064 4.166 ( 0.000 -1.104 0.000) 1.104 4.426 ( 0.000 -1.585 0.000) 1.585 4.516 ( 0.000 -6.562 0.000) 6.562 4.536 ( 0.000 4.111 0.000) 4.111 4.549 ( 0.000 -1.089 0.000) 1.089 4.616 ( 0.000 0.252 0.000) 0.252 4.646 ( 0.000 -1.531 0.000) 1.531 4.765 ( 0.000 -4.010 0.000) 4.010 4.910 ( 0.000 -4.443 0.000) 4.443 5.027 ( 0.000 -6.223 0.000) 6.223 5.085 ( 0.000 1.895 0.000) 1.895 5.186 ( 0.000 6.084 0.000) 6.084 5.242 ( 0.000 1.610 0.000) 1.610 5.279 ( 0.000 3.678 0.000) 3.678 5.324 ( 0.000 3.558 0.000) 3.558 5.379 ( 0.000 6.222 0.000) 6.222 5.620 ( 0.000 -1.513 0.000) 1.513 5.629 ( 0.000 -5.571 0.000) 5.571 5.828 ( 0.000 -2.166 0.000) 2.166 5.829 ( 0.000 -0.164 0.000) 0.164 6.010 ( 0.000 1.049 0.000) 1.049 6.064 ( 0.000 -8.821 0.000) 8.821 6.097 ( 0.000 -1.950 0.000) 1.950 6.143 ( 0.000 9.377 0.000) 9.377 6.227 ( 0.000 3.310 0.000) 3.310 6.371 ( 0.000 -1.832 0.000) 1.832 6.494 ( 0.000 6.635 0.000) 6.635 6.761 ( 0.000 -7.360 0.000) 7.360 7.425 ( 0.000 1.895 0.000) 1.895 7.573 ( 0.000 6.202 0.000) 6.202 7.637 ( 0.000 -2.440 0.000) 2.440 7.684 ( 0.000 -0.186 0.000) 0.186 7.706 ( 0.000 -0.518 0.000) 0.518 7.787 ( 0.000 -1.988 0.000) 1.988 7.812 ( 0.000 4.101 0.000) 4.101 7.843 ( 0.000 0.408 0.000) 0.408 9.538 ( 0.000 0.144 0.000) 0.144 9.660 ( 0.000 1.021 0.000) 1.021 9.906 ( 0.000 -1.146 0.000) 1.146 9.918 ( 0.000 4.720 0.000) 4.720 10.048 ( 0.000 -0.939 0.000) 0.939 10.070 ( 0.000 -1.430 0.000) 1.430 10.360 ( 0.000 -0.655 0.000) 0.655 10.532 ( 0.000 -4.261 0.000) 4.261 11.449 ( 0.000 0.334 0.000) 0.334 11.454 ( 0.000 0.507 0.000) 0.507 11.495 ( 0.000 -1.061 0.000) 1.061 11.566 ( 0.000 -2.378 0.000) 2.378 11.955 ( 0.000 1.618 0.000) 1.618 12.006 ( 0.000 2.799 0.000) 2.799 12.401 ( 0.000 -2.224 0.000) 2.224 12.440 ( 0.000 -1.325 0.000) 1.325 13.263 ( 0.000 6.697 0.000) 6.697 13.984 ( 0.000 3.783 0.000) 3.783 14.117 ( 0.000 1.711 0.000) 1.711 14.302 ( 0.000 -1.754 0.000) 1.754 14.414 ( 0.000 -6.639 0.000) 6.639 14.501 ( 0.000 -1.800 0.000) 1.800 15.025 ( 0.000 5.817 0.000) 5.817 15.104 ( 0.000 -7.238 0.000) 7.238 15.891 ( 0.000 1.900 0.000) 1.900 15.980 ( 0.000 -0.592 0.000) 0.592 16.106 ( 0.000 2.639 0.000) 2.639 16.138 ( 0.000 -4.695 0.000) 4.695 16.307 ( 0.000 -2.373 0.000) 2.373 16.469 ( 0.000 -5.743 0.000) 5.743 16.670 ( 0.000 -3.968 0.000) 3.968 16.711 ( 0.000 -1.509 0.000) 1.509 19.823 ( 0.000 5.020 0.000) 5.020 20.189 ( 0.000 1.098 0.000) 1.098 20.534 ( 0.000 -5.382 0.000) 5.382 20.562 ( 0.000 -6.801 0.000) 6.801 21.082 ( 0.000 12.536 0.000) 12.536 21.157 ( 0.000 10.320 0.000) 10.320 22.229 ( 0.000 -4.091 0.000) 4.091 22.443 ( 0.000 -4.000 0.000) 4.000 25.528 ( 0.000 11.476 0.000) 11.476 26.732 ( 0.000 3.350 0.000) 3.350 28.376 ( 0.000 -19.421 0.000) 19.421 28.570 ( 0.000 -22.338 0.000) 22.338 29.375 ( 0.000 18.131 0.000) 18.131 30.034 ( 0.000 0.123 0.000) 0.123 30.109 ( 0.000 1.265 0.000) 1.265 30.188 ( 0.000 5.268 0.000) 5.268 31.153 ( 0.000 -0.793 0.000) 0.793 31.403 ( 0.000 -0.246 0.000) 0.246 31.719 ( 0.000 -11.853 0.000) 11.853 31.837 ( 0.000 -12.819 0.000) 12.819 32.257 ( 0.000 12.865 0.000) 12.865 32.508 ( 0.000 10.619 0.000) 10.619 33.072 ( 0.000 0.167 0.000) 0.167 33.405 ( 0.000 -2.305 0.000) 2.305 36.529 ( 0.000 -3.258 0.000) 3.258 36.650 ( 0.000 -2.651 0.000) 2.651 36.683 ( 0.000 3.028 0.000) 3.028 36.911 ( 0.000 2.112 0.000) 2.112 37.018 ( 0.000 0.725 0.000) 0.725 37.202 ( 0.000 6.515 0.000) 6.515 37.349 ( 0.000 -3.161 0.000) 3.161 37.980 ( 0.000 -2.253 0.000) 2.253 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 10.000 23.188 3.570) 25.504 0.863 ( 14.198 23.837 12.622) 30.482 1.332 ( 26.365 29.257 6.763) 39.961 1.961 ( 15.595 6.813 -2.428) 17.190 2.119 ( 0.318 0.494 -14.373) 14.385 2.201 ( 0.699 -4.058 -2.715) 4.932 2.384 ( -4.735 0.908 -7.738) 9.117 2.598 ( 0.643 2.167 6.178) 6.579 2.644 ( -3.162 3.714 4.431) 6.590 2.886 ( 8.141 5.811 6.614) 11.991 3.009 ( -2.498 -1.186 -1.165) 3.001 3.200 ( -2.471 -7.916 2.398) 8.632 3.331 ( 2.398 -3.418 2.368) 4.800 3.369 ( 6.704 -4.256 -5.638) 9.738 3.476 ( 6.808 -0.763 2.484) 7.287 3.593 ( -6.528 -2.472 -0.746) 7.020 3.675 ( 2.954 3.247 2.397) 5.001 3.860 ( 1.378 4.129 1.459) 4.591 4.020 ( 2.804 2.617 0.889) 3.937 4.134 ( -0.946 0.848 0.035) 1.271 4.219 ( 4.440 -1.376 -2.918) 5.488 4.361 ( -7.097 4.140 -0.913) 8.267 4.389 ( -4.217 -2.518 1.606) 5.167 4.492 ( -2.623 -4.582 -0.461) 5.300 4.574 ( -1.286 -1.201 -2.448) 3.015 4.626 ( 2.878 1.623 -0.799) 3.400 4.742 ( 7.973 -3.255 0.684) 8.639 4.821 ( 4.323 -4.003 0.293) 5.899 4.895 ( 0.680 -2.914 -3.831) 4.861 4.944 ( -3.436 -3.802 -0.961) 5.214 5.080 ( -2.065 2.153 0.708) 3.067 5.190 ( 2.567 1.342 -2.920) 4.113 5.208 ( -7.163 3.766 1.558) 8.242 5.312 ( 3.881 4.150 0.139) 5.683 5.363 ( 5.433 1.269 -0.723) 5.625 5.489 ( 5.420 2.605 0.575) 6.041 5.528 ( -2.431 0.800 -2.800) 3.793 5.707 ( 3.908 -2.881 1.716) 5.150 5.719 ( -4.965 -4.026 -2.111) 6.732 5.856 ( 5.243 1.068 -1.852) 5.662 5.978 ( -0.388 -2.513 4.719) 5.361 6.063 ( 2.092 -4.800 -6.268) 8.167 6.134 ( -0.358 6.240 2.667) 6.795 6.248 ( 0.565 2.991 3.604) 4.717 6.261 ( 8.194 -1.061 3.243) 8.876 6.328 ( -1.530 -0.901 -2.891) 3.393 6.521 ( 0.035 7.895 3.198) 8.518 6.748 ( -2.245 -3.556 -2.541) 4.913 7.423 ( -0.580 1.109 0.242) 1.275 7.537 ( -2.521 4.490 0.977) 5.241 7.618 ( 0.108 -2.077 -4.177) 4.666 7.639 ( -2.178 0.084 -2.922) 3.646 7.695 ( -2.714 0.426 1.086) 2.954 7.786 ( -1.038 4.279 -2.313) 4.974 7.804 ( 1.018 -1.340 1.139) 2.032 7.910 ( -0.014 -0.889 3.263) 3.382 9.521 ( -2.791 -0.462 1.078) 3.027 9.627 ( -3.566 0.464 -0.907) 3.709 9.863 ( -3.649 -1.132 -1.022) 3.955 9.927 ( -0.196 2.914 0.099) 2.922 10.008 ( -4.853 -2.376 -0.726) 5.452 10.035 ( -2.446 -0.269 -0.552) 2.522 10.373 ( 0.351 -0.844 2.043) 2.238 10.532 ( 0.186 -3.863 0.490) 3.898 11.424 ( -1.114 -0.087 -1.029) 1.519 11.475 ( 1.009 0.127 0.938) 1.384 11.504 ( 0.742 -0.250 0.572) 0.970 11.553 ( -0.486 -1.491 -0.667) 1.704 11.931 ( -3.497 2.148 -0.047) 4.105 11.980 ( -2.912 2.232 0.014) 3.669 12.373 ( -2.770 -1.903 -0.357) 3.380 12.429 ( -0.943 -1.640 -0.058) 1.893 13.229 ( -2.424 7.310 -2.951) 8.248 13.433 ( -17.318 24.895 -9.771) 31.861 14.085 ( 1.285 0.586 1.288) 1.912 14.291 ( 2.594 -1.794 -6.649) 7.359 14.459 ( -6.996 -2.794 9.934) 12.468 14.756 ( 6.130 -13.938 0.049) 15.227 15.054 ( -3.664 -6.121 -1.198) 7.234 15.218 ( 6.678 -3.244 7.294) 10.407 15.903 ( 1.662 2.102 -0.723) 2.776 16.012 ( 3.848 -2.013 -1.994) 4.778 16.087 ( 0.095 0.710 -2.622) 2.718 16.162 ( 1.708 -4.009 0.776) 4.427 16.386 ( 3.222 -6.800 5.059) 9.067 16.493 ( 1.449 -5.517 1.765) 5.971 16.631 ( -2.325 -2.581 -0.818) 3.569 16.731 ( -0.072 -2.861 0.825) 2.979 19.846 ( 1.929 4.813 1.167) 5.315 19.995 ( -8.285 10.756 -6.345) 14.986 20.533 ( -0.048 -4.237 -2.034) 4.700 20.571 ( -0.005 -7.274 1.561) 7.440 21.122 ( -2.510 10.935 -1.695) 11.346 21.173 ( 1.837 10.364 4.593) 11.484 22.273 ( 3.754 -3.534 2.084) 5.561 22.460 ( 2.663 -4.933 0.015) 5.606 25.515 ( -1.486 11.810 -0.075) 11.903 26.012 ( -25.868 33.692 -15.723) 45.294 28.475 ( -1.445 -22.928 3.566) 23.249 29.086 ( 21.857 -51.125 3.872) 55.736 29.412 ( -4.966 15.596 9.405) 18.877 30.047 ( 1.899 0.472 -0.029) 1.957 30.118 ( 1.786 0.853 0.004) 1.979 30.396 ( 11.921 1.781 7.360) 14.123 31.139 ( -0.740 0.304 -1.585) 1.775 31.408 ( 1.412 -1.232 -0.474) 1.933 31.746 ( 2.943 -11.603 -0.121) 11.971 31.996 ( 10.529 -19.754 4.086) 22.755 32.269 ( 1.410 12.374 0.208) 12.456 32.503 ( -0.567 8.991 0.215) 9.012 33.077 ( -0.310 0.298 1.309) 1.377 33.293 ( -7.586 4.602 -4.610) 9.999 36.539 ( 1.217 -3.149 -0.180) 3.381 36.644 ( 0.462 -2.953 -1.566) 3.374 36.699 ( -0.098 0.399 2.989) 3.017 36.918 ( 0.494 1.792 0.365) 1.895 37.010 ( 0.162 0.605 -1.854) 1.957 37.184 ( -0.094 5.646 -2.112) 6.029 37.315 ( -3.438 -2.670 -0.620) 4.397 37.830 ( -8.112 8.598 -2.460) 12.074 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 13.229 13.724 2.554) 19.232 1.214 ( 16.048 23.863 9.935) 30.426 1.647 ( 8.076 12.144 -1.658) 14.678 1.950 ( -0.779 3.215 -9.270) 9.842 2.151 ( -2.855 3.675 -3.801) 6.008 2.267 ( 4.494 5.395 0.353) 7.030 2.511 ( 22.147 -3.416 4.389) 22.835 2.592 ( 5.340 3.030 1.396) 6.296 2.767 ( 0.027 -1.140 10.972) 11.031 2.926 ( -0.639 1.098 -5.194) 5.347 3.021 ( 3.012 -0.275 0.281) 3.037 3.223 ( 5.135 -3.825 -3.035) 7.086 3.292 ( -8.512 0.985 0.422) 8.580 3.391 ( 1.401 -0.582 -2.721) 3.116 3.466 ( 8.858 -4.467 -2.527) 10.238 3.664 ( 5.515 4.464 -0.434) 7.109 3.762 ( -0.957 -2.293 5.282) 5.837 3.925 ( 3.112 2.475 2.167) 4.528 4.047 ( -1.354 5.523 -0.471) 5.706 4.109 ( -1.067 -1.160 -1.698) 2.317 4.246 ( 6.968 -1.589 -2.555) 7.590 4.335 ( 3.316 0.596 -1.780) 3.811 4.376 ( -1.835 0.991 2.429) 3.201 4.450 ( -2.734 -1.878 2.252) 4.009 4.551 ( 0.303 -1.788 -0.242) 1.829 4.651 ( -0.757 -2.340 -1.433) 2.846 4.748 ( -1.790 -3.635 -0.745) 4.120 4.852 ( -0.433 -4.649 -5.938) 7.554 4.925 ( 4.277 -1.434 0.320) 4.523 4.988 ( 6.134 -3.888 1.732) 7.466 5.088 ( 2.169 -0.184 2.572) 3.370 5.090 ( -3.995 2.866 1.885) 5.266 5.244 ( 3.510 2.764 -1.392) 4.679 5.320 ( 0.210 1.457 -4.749) 4.972 5.414 ( 3.040 5.705 -2.643) 6.984 5.459 ( -1.332 4.087 -2.027) 4.753 5.570 ( 5.075 -2.136 1.963) 5.845 5.712 ( -2.568 -8.353 5.614) 10.387 5.833 ( 4.986 -3.155 1.067) 5.996 5.944 ( 4.075 -2.347 1.576) 4.959 6.000 ( 3.449 -2.218 0.693) 4.159 6.016 ( -0.733 0.126 -5.250) 5.302 6.184 ( 2.718 1.330 1.758) 3.500 6.274 ( -0.879 2.098 0.759) 2.398 6.325 ( 1.626 3.602 5.537) 6.803 6.401 ( 5.208 -0.320 -0.126) 5.219 6.515 ( -2.051 8.723 -3.191) 9.512 6.686 ( -2.540 1.591 3.314) 4.469 7.400 ( -2.038 0.328 -0.390) 2.101 7.494 ( -4.409 2.491 0.515) 5.091 7.545 ( -5.037 2.171 -3.211) 6.355 7.590 ( 1.324 -0.164 -3.862) 4.086 7.652 ( -3.928 0.817 1.106) 4.161 7.762 ( 1.261 3.315 -1.830) 3.992 7.829 ( 0.839 0.546 -0.168) 1.015 7.890 ( -3.596 -1.649 2.205) 4.529 9.467 ( -4.732 -1.858 0.308) 5.093 9.538 ( -5.501 0.251 -0.365) 5.519 9.784 ( -4.944 -1.614 -0.320) 5.210 9.891 ( -4.554 0.884 0.352) 4.652 9.934 ( -1.594 -1.470 -1.947) 2.914 9.971 ( -3.789 0.538 -1.569) 4.137 10.402 ( 0.168 -1.033 2.534) 2.742 10.540 ( -0.310 -3.925 0.621) 3.985 11.402 ( -0.607 -0.440 -0.423) 0.861 11.499 ( 0.459 -0.224 0.946) 1.075 11.526 ( 1.424 0.478 0.268) 1.526 11.553 ( 0.939 -0.887 -0.014) 1.292 11.843 ( -6.164 2.855 -0.570) 6.817 11.918 ( -4.146 1.936 -0.553) 4.610 12.323 ( -2.568 -3.329 -0.422) 4.225 12.409 ( -1.358 -2.077 -0.257) 2.495 13.152 ( -2.171 7.576 -2.797) 8.363 13.281 ( -1.916 14.703 1.318) 14.885 14.139 ( 2.303 -0.051 2.995) 3.778 14.255 ( 2.726 -1.459 -8.501) 9.046 14.448 ( -6.027 -2.312 10.026) 11.925 14.790 ( 0.861 -5.999 -2.828) 6.688 14.942 ( -6.398 -7.674 -3.108) 10.464 15.311 ( -0.343 -0.821 4.140) 4.235 15.921 ( 1.487 2.579 -1.217) 3.216 16.050 ( 2.768 -2.369 -2.261) 4.288 16.074 ( 1.439 -1.430 -1.060) 2.288 16.196 ( 1.503 -5.016 0.194) 5.240 16.461 ( 2.223 -6.291 1.133) 6.768 16.526 ( 0.453 -5.012 0.137) 5.034 16.609 ( 0.574 -2.419 0.649) 2.569 16.718 ( -2.227 -2.336 1.054) 3.395 19.867 ( -1.759 8.467 -2.710) 9.062 19.908 ( 2.384 4.609 1.452) 5.388 20.498 ( -1.335 -4.003 -2.288) 4.800 20.586 ( 0.093 -6.756 1.222) 6.867 21.052 ( -3.112 12.201 -2.082) 12.763 21.207 ( -0.813 13.838 1.857) 13.985 22.366 ( 3.816 -3.698 2.726) 5.972 22.528 ( 4.709 -6.431 0.885) 8.020 25.483 ( -2.052 12.357 -0.003) 12.527 25.694 ( -7.250 22.898 -3.471) 24.268 28.466 ( 0.085 -24.326 -3.362) 24.557 29.287 ( -5.927 -41.572 12.402) 43.786 29.403 ( 8.803 13.053 -8.191) 17.747 30.071 ( 1.526 1.062 -1.231) 2.229 30.163 ( 3.240 0.681 -0.294) 3.324 30.580 ( 1.801 6.740 8.689) 11.143 31.099 ( -1.003 2.458 -3.420) 4.330 31.451 ( 3.890 -2.847 0.459) 4.842 31.794 ( 3.124 -11.229 -1.251) 11.723 32.127 ( 0.027 -10.944 4.512) 11.838 32.308 ( 2.940 9.991 0.087) 10.415 32.502 ( 1.066 5.124 -0.867) 5.305 33.085 ( -0.761 0.652 1.795) 2.056 33.136 ( -6.092 5.236 -3.512) 8.767 36.563 ( 1.766 -2.480 0.122) 3.047 36.638 ( 0.470 -4.874 -1.142) 5.028 36.732 ( -0.038 -0.686 3.944) 4.003 36.921 ( 0.492 1.637 -2.071) 2.685 36.988 ( 0.252 0.205 -3.158) 3.174 37.171 ( -0.989 -0.396 0.279) 1.101 37.250 ( -1.860 0.639 -1.432) 2.433 37.739 ( -3.899 9.754 1.861) 10.668 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 13.156 7.636 0.430) 15.217 1.539 ( 4.500 14.089 5.255) 15.696 1.654 ( 0.608 16.101 4.150) 16.638 1.886 ( 2.874 8.316 -9.005) 12.590 2.113 ( 6.584 2.981 -4.917) 8.741 2.351 ( 2.291 5.138 4.850) 7.428 2.549 ( -7.005 -5.291 1.989) 9.001 2.696 ( -4.083 -3.897 0.859) 5.709 2.783 ( -5.831 -5.586 -1.690) 8.250 3.005 ( 9.140 3.122 1.980) 9.859 3.092 ( 0.988 0.195 1.524) 1.827 3.201 ( 5.446 2.042 -0.981) 5.898 3.358 ( -0.689 0.204 -2.071) 2.192 3.486 ( 17.627 3.991 -0.411) 18.078 3.600 ( 3.427 -3.487 0.483) 4.913 3.628 ( -1.153 2.705 -3.925) 4.904 3.819 ( 2.395 -0.768 3.977) 4.705 3.979 ( 1.565 2.403 1.028) 3.046 4.036 ( 2.233 1.930 -0.753) 3.046 4.089 ( 0.983 -5.836 -2.782) 6.540 4.292 ( -0.703 -0.440 -4.028) 4.113 4.346 ( -3.218 1.680 2.190) 4.240 4.394 ( 2.305 -0.876 0.272) 2.481 4.464 ( 0.269 0.449 1.704) 1.783 4.527 ( 1.084 -2.271 4.741) 5.367 4.685 ( 6.213 1.953 -0.029) 6.513 4.727 ( -5.182 -4.357 -1.278) 6.890 4.780 ( 1.297 -3.726 -4.951) 6.331 4.978 ( 5.041 3.656 1.724) 6.462 5.037 ( -2.013 -2.039 0.021) 2.865 5.126 ( 3.328 -4.609 1.060) 5.783 5.152 ( 0.776 0.924 -1.943) 2.287 5.231 ( 0.166 -3.324 1.554) 3.673 5.358 ( 0.729 2.607 -1.750) 3.223 5.408 ( 4.930 3.895 0.929) 6.351 5.477 ( 1.947 2.347 -0.424) 3.079 5.632 ( -5.162 -4.112 -0.130) 6.601 5.697 ( 0.471 -6.926 1.851) 7.185 5.805 ( -3.546 -3.213 -2.019) 5.194 5.931 ( -2.140 3.191 -4.895) 6.223 6.001 ( 1.560 -3.357 -0.616) 3.753 6.134 ( 4.321 -3.182 4.523) 7.018 6.241 ( 3.147 4.162 0.221) 5.222 6.289 ( 1.758 1.938 0.783) 2.732 6.396 ( 0.457 6.407 3.995) 7.565 6.464 ( 1.943 7.174 -3.074) 8.043 6.478 ( 4.075 1.474 3.700) 5.698 6.696 ( -2.339 3.633 1.870) 4.709 7.367 ( -1.212 0.110 -0.209) 1.235 7.407 ( -5.300 1.549 -0.373) 5.535 7.445 ( -3.070 2.914 -1.587) 4.520 7.571 ( -1.079 2.732 -1.260) 3.196 7.589 ( -3.066 2.198 -1.193) 3.956 7.773 ( 0.789 -1.337 -1.068) 1.885 7.835 ( 1.004 0.039 0.535) 1.138 7.881 ( -0.172 -2.244 1.289) 2.594 9.374 ( -4.825 -1.904 -1.474) 5.392 9.472 ( -3.218 -1.275 1.500) 3.773 9.703 ( -4.430 -2.159 0.063) 4.928 9.832 ( -2.712 -3.055 0.984) 4.202 9.891 ( -2.248 2.653 -1.892) 3.959 9.902 ( -1.313 1.662 -1.966) 2.890 10.424 ( -0.085 -1.113 1.551) 1.911 10.532 ( -0.936 -3.332 0.182) 3.466 11.394 ( -0.158 -0.344 -0.067) 0.384 11.503 ( -0.108 -0.847 -0.160) 0.868 11.562 ( 2.145 0.127 -0.108) 2.152 11.572 ( 0.940 0.619 0.887) 1.433 11.748 ( -4.312 3.123 -0.006) 5.324 11.842 ( -3.712 1.931 -0.949) 4.291 12.285 ( -1.463 -4.592 -0.353) 4.832 12.384 ( -1.140 -2.360 -0.312) 2.639 13.104 ( -1.132 6.738 -1.567) 7.010 13.310 ( 1.271 10.604 3.075) 11.114 14.162 ( 0.013 -3.172 -3.037) 4.391 14.284 ( 4.500 0.472 3.832) 5.929 14.456 ( -2.621 -2.089 5.470) 6.415 14.690 ( -4.513 1.163 -10.373) 11.372 14.860 ( -2.469 -9.659 1.853) 10.140 15.325 ( -1.179 0.935 2.154) 2.627 15.926 ( 0.509 2.559 -0.945) 2.775 16.046 ( 0.421 -4.328 -2.147) 4.849 16.125 ( 2.820 -1.773 1.987) 3.878 16.209 ( 0.575 -6.062 -1.210) 6.209 16.488 ( 1.013 -5.468 -0.612) 5.594 16.517 ( -0.142 -3.541 -1.112) 3.714 16.646 ( 1.504 -2.841 1.585) 3.584 16.695 ( -1.476 -2.270 0.922) 2.860 19.831 ( -0.269 6.782 -1.416) 6.933 19.964 ( 2.032 3.820 1.391) 4.545 20.453 ( -1.380 -4.119 -1.744) 4.680 20.597 ( 0.023 -6.307 0.677) 6.343 20.993 ( -1.721 13.700 -1.396) 13.878 21.203 ( -0.861 15.278 0.746) 15.320 22.435 ( 1.881 -4.497 1.554) 5.116 22.610 ( 3.427 -6.493 0.985) 7.407 25.455 ( -1.317 12.387 0.113) 12.457 25.605 ( -2.386 17.430 -0.638) 17.604 28.417 ( -0.711 -24.819 -4.460) 25.227 29.247 ( -6.136 -14.107 5.932) 16.488 29.514 ( 8.324 -11.732 -3.595) 14.827 30.077 ( 0.791 0.786 -1.214) 1.649 30.204 ( 1.954 1.272 -0.303) 2.351 30.663 ( -0.333 10.242 6.449) 12.107 31.049 ( -0.765 3.587 -3.231) 4.888 31.534 ( 4.466 -3.799 1.404) 6.029 31.809 ( 0.686 -10.788 -2.163) 11.024 32.127 ( -3.199 -1.298 3.232) 4.729 32.355 ( 1.999 8.036 0.591) 8.302 32.517 ( 1.620 3.901 -0.979) 4.336 33.024 ( -3.820 2.149 -1.746) 4.718 33.092 ( -0.413 0.329 0.946) 1.083 36.594 ( 1.424 -2.492 0.520) 2.916 36.636 ( 0.287 -6.152 -0.704) 6.199 36.775 ( -0.197 0.181 5.141) 5.148 36.890 ( 0.649 2.564 -5.951) 6.512 36.962 ( 0.018 -0.406 -2.278) 2.314 37.138 ( -3.622 -10.700 2.165) 11.502 37.251 ( 2.220 7.540 -0.971) 7.920 37.710 ( -2.192 9.666 1.883) 10.089 ======================= Grid point 13 (10/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 2.869 0.000) 2.869 1.416 ( -0.000 12.347 0.000) 12.347 1.792 ( 0.000 9.302 0.000) 9.302 1.857 ( 0.000 19.430 -0.000) 19.430 2.211 ( 0.000 11.635 0.000) 11.635 2.359 ( 0.000 -9.968 0.000) 9.968 2.489 ( 0.000 0.024 0.000) 0.024 2.655 ( -0.000 -2.619 -0.000) 2.619 2.692 ( 0.000 -7.245 0.000) 7.245 3.093 ( -0.000 2.466 0.000) 2.466 3.125 ( 0.000 4.687 -0.000) 4.687 3.247 ( 0.000 4.672 0.000) 4.672 3.362 ( 0.000 5.992 0.000) 5.992 3.464 ( 0.000 -10.761 -0.000) 10.761 3.690 ( -0.000 7.081 0.000) 7.081 3.690 ( 0.000 -1.205 -0.000) 1.205 3.858 ( 0.000 -2.566 0.000) 2.566 4.017 ( 0.000 -0.481 0.000) 0.481 4.038 ( 0.000 -2.452 0.000) 2.452 4.079 ( 0.000 -4.598 0.000) 4.598 4.268 ( -0.000 -1.803 0.000) 1.803 4.299 ( 0.000 3.924 -0.000) 3.924 4.411 ( 0.000 -0.564 0.000) 0.564 4.499 ( 0.000 -4.059 0.000) 4.059 4.615 ( -0.000 3.935 0.000) 3.935 4.639 ( 0.000 -2.237 -0.000) 2.237 4.762 ( 0.000 -3.786 -0.000) 3.786 4.777 ( -0.000 4.762 0.000) 4.762 4.957 ( 0.000 -2.670 -0.000) 2.670 5.074 ( -0.000 4.873 0.000) 4.873 5.154 ( 0.000 -4.973 0.000) 4.973 5.196 ( 0.000 0.160 0.000) 0.160 5.209 ( 0.000 -3.472 0.000) 3.472 5.379 ( 0.000 -2.436 0.000) 2.436 5.451 ( -0.000 -7.816 -0.000) 7.816 5.488 ( 0.000 1.862 0.000) 1.862 5.509 ( 0.000 4.273 0.000) 4.273 5.746 ( 0.000 -1.325 0.000) 1.325 5.748 ( 0.000 -4.812 0.000) 4.812 5.885 ( 0.000 5.051 0.000) 5.051 5.998 ( 0.000 -1.310 0.000) 1.310 6.194 ( 0.000 -3.146 0.000) 3.146 6.288 ( 0.000 3.698 0.000) 3.698 6.296 ( 0.000 2.258 -0.000) 2.258 6.428 ( 0.000 5.493 0.000) 5.493 6.473 ( 0.000 6.543 0.000) 6.543 6.595 ( -0.000 0.860 0.000) 0.860 6.629 ( 0.000 5.508 0.000) 5.508 7.358 ( 0.000 -0.363 -0.000) 0.363 7.359 ( 0.000 1.084 0.000) 1.084 7.413 ( 0.000 3.315 0.000) 3.315 7.539 ( 0.000 3.244 0.000) 3.244 7.562 ( 0.000 2.884 0.000) 2.884 7.772 ( 0.000 -3.842 0.000) 3.842 7.851 ( 0.000 -0.924 0.000) 0.924 7.891 ( 0.000 -1.489 0.000) 1.489 9.321 ( 0.000 -1.576 0.000) 1.576 9.455 ( 0.000 -2.223 0.000) 2.223 9.662 ( 0.000 -2.497 0.000) 2.497 9.819 ( 0.000 -4.702 0.000) 4.702 9.856 ( 0.000 2.723 0.000) 2.723 9.882 ( 0.000 4.072 0.000) 4.072 10.430 ( 0.000 -1.181 0.000) 1.181 10.523 ( 0.000 -2.897 -0.000) 2.897 11.393 ( 0.000 -0.301 0.000) 0.301 11.500 ( 0.000 -1.313 -0.000) 1.313 11.572 ( 0.000 0.812 0.000) 0.812 11.597 ( 0.000 0.766 0.000) 0.766 11.712 ( 0.000 3.067 0.000) 3.067 11.801 ( 0.000 2.033 0.000) 2.033 12.271 ( 0.000 -4.996 0.000) 4.996 12.372 ( 0.000 -2.469 0.000) 2.469 13.086 ( 0.000 6.832 0.000) 6.832 13.342 ( 0.000 9.292 0.000) 9.292 14.141 ( 0.000 -3.623 0.000) 3.623 14.385 ( 0.000 -1.712 0.000) 1.712 14.463 ( 0.000 -2.059 0.000) 2.059 14.553 ( 0.000 3.730 0.000) 3.730 14.853 ( 0.000 -8.148 0.000) 8.148 15.325 ( 0.000 1.414 0.000) 1.414 15.924 ( 0.000 2.391 0.000) 2.391 16.037 ( 0.000 -4.881 -0.000) 4.881 16.175 ( 0.000 0.771 0.000) 0.771 16.194 ( 0.000 -9.334 -0.000) 9.334 16.490 ( 0.000 -5.483 0.000) 5.483 16.511 ( 0.000 -2.741 0.000) 2.741 16.669 ( 0.000 -3.047 0.000) 3.047 16.687 ( 0.000 -2.290 -0.000) 2.290 19.823 ( 0.000 6.165 0.000) 6.165 19.989 ( 0.000 3.693 0.000) 3.693 20.431 ( 0.000 -4.209 0.000) 4.209 20.600 ( 0.000 -6.111 0.000) 6.111 20.972 ( 0.000 14.320 0.000) 14.320 21.199 ( 0.000 15.576 0.000) 15.576 22.458 ( 0.000 -4.841 0.000) 4.841 22.644 ( 0.000 -6.339 0.000) 6.339 25.445 ( 0.000 12.328 0.000) 12.328 25.584 ( 0.000 16.131 0.000) 16.131 28.384 ( 0.000 -24.499 0.000) 24.499 29.226 ( 0.000 -11.450 0.000) 11.450 29.567 ( 0.000 -14.108 0.000) 14.108 30.077 ( 0.000 0.682 0.000) 0.682 30.218 ( 0.000 1.490 0.000) 1.490 30.694 ( 0.000 11.306 0.000) 11.306 31.024 ( 0.000 3.673 0.000) 3.673 31.589 ( 0.000 -4.251 0.000) 4.251 31.794 ( 0.000 -10.255 0.000) 10.255 32.114 ( 0.000 1.302 0.000) 1.302 32.375 ( 0.000 7.466 0.000) 7.466 32.527 ( 0.000 4.563 0.000) 4.563 32.982 ( 0.000 0.147 0.000) 0.147 33.094 ( 0.000 0.348 0.000) 0.348 36.611 ( 0.000 -3.004 0.000) 3.004 36.634 ( 0.000 -6.251 0.000) 6.251 36.820 ( 0.000 0.606 0.000) 0.606 36.842 ( 0.000 3.149 0.000) 3.149 36.950 ( 0.000 -0.754 0.000) 0.754 37.118 ( 0.000 -12.226 0.000) 12.226 37.268 ( 0.000 7.897 0.000) 7.897 37.701 ( 0.000 9.686 0.000) 9.686 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 26.194 0.000) 26.194 1.213 ( 0.000 28.885 0.000) 28.885 1.875 ( 0.000 30.784 0.000) 30.784 2.038 ( 0.000 -0.851 0.000) 0.851 2.083 ( 0.000 7.966 0.000) 7.966 2.302 ( 0.000 9.045 0.000) 9.045 2.491 ( 0.000 -0.589 0.000) 0.589 2.620 ( 0.000 0.581 0.000) 0.581 2.685 ( 0.000 1.628 0.000) 1.628 2.875 ( 0.000 5.069 0.000) 5.069 3.040 ( 0.000 -3.538 0.000) 3.538 3.134 ( 0.000 -4.132 0.000) 4.132 3.201 ( 0.000 -3.994 0.000) 3.994 3.243 ( 0.000 0.114 0.000) 0.114 3.292 ( 0.000 -1.944 0.000) 1.944 3.521 ( 0.000 -9.171 0.000) 9.171 3.788 ( 0.000 5.412 0.000) 5.412 3.930 ( 0.000 1.987 0.000) 1.987 3.970 ( 0.000 0.191 0.000) 0.191 4.171 ( 0.000 1.032 0.000) 1.032 4.185 ( 0.000 2.185 0.000) 2.185 4.349 ( 0.000 -5.594 0.000) 5.594 4.418 ( 0.000 -2.957 0.000) 2.957 4.502 ( 0.000 -5.957 0.000) 5.957 4.545 ( 0.000 0.708 0.000) 0.708 4.610 ( 0.000 -0.471 0.000) 0.471 4.649 ( 0.000 -4.216 0.000) 4.216 4.692 ( 0.000 2.771 0.000) 2.771 4.838 ( 0.000 -4.164 0.000) 4.164 4.968 ( 0.000 3.360 0.000) 3.360 5.073 ( 0.000 -4.518 0.000) 4.518 5.247 ( 0.000 1.777 0.000) 1.777 5.292 ( 0.000 -2.831 0.000) 2.831 5.336 ( 0.000 6.883 0.000) 6.883 5.386 ( 0.000 2.529 0.000) 2.529 5.518 ( 0.000 2.002 0.000) 2.002 5.538 ( 0.000 -0.690 0.000) 0.690 5.595 ( 0.000 -0.539 0.000) 0.539 5.756 ( 0.000 -4.822 0.000) 4.822 5.813 ( 0.000 -2.418 0.000) 2.418 5.954 ( 0.000 -1.444 0.000) 1.444 6.026 ( 0.000 0.376 0.000) 0.376 6.034 ( 0.000 -3.269 0.000) 3.269 6.298 ( 0.000 -2.002 0.000) 2.002 6.330 ( 0.000 9.220 0.000) 9.220 6.372 ( 0.000 5.915 0.000) 5.915 6.502 ( 0.000 -3.720 0.000) 3.720 6.716 ( 0.000 2.102 0.000) 2.102 7.469 ( 0.000 1.836 0.000) 1.836 7.561 ( 0.000 -4.296 0.000) 4.296 7.659 ( 0.000 1.934 0.000) 1.934 7.667 ( 0.000 -2.784 0.000) 2.784 7.719 ( 0.000 2.989 0.000) 2.989 7.759 ( 0.000 -0.200 0.000) 0.200 7.876 ( 0.000 2.311 0.000) 2.311 7.898 ( 0.000 3.683 0.000) 3.683 9.564 ( 0.000 2.655 0.000) 2.655 9.690 ( 0.000 1.858 0.000) 1.858 9.875 ( 0.000 -1.850 0.000) 1.850 10.018 ( 0.000 -3.576 0.000) 3.576 10.026 ( 0.000 1.729 0.000) 1.729 10.049 ( 0.000 4.743 0.000) 4.743 10.330 ( 0.000 -2.858 0.000) 2.858 10.428 ( 0.000 -4.787 0.000) 4.787 11.454 ( 0.000 0.065 0.000) 0.065 11.461 ( 0.000 -0.543 0.000) 0.543 11.469 ( 0.000 -0.593 0.000) 0.593 11.507 ( 0.000 -2.873 0.000) 2.873 12.010 ( 0.000 3.581 0.000) 3.581 12.074 ( 0.000 3.525 0.000) 3.525 12.342 ( 0.000 -3.288 0.000) 3.288 12.395 ( 0.000 -3.012 0.000) 3.012 13.459 ( 0.000 11.826 0.000) 11.826 14.067 ( 0.000 3.458 0.000) 3.458 14.196 ( 0.000 5.236 0.000) 5.236 14.266 ( 0.000 -7.026 0.000) 7.026 14.278 ( 0.000 1.237 0.000) 1.237 14.448 ( 0.000 -3.487 0.000) 3.487 14.895 ( 0.000 -12.284 0.000) 12.284 15.102 ( 0.000 -0.366 0.000) 0.366 15.943 ( 0.000 -1.404 0.000) 1.404 15.948 ( 0.000 3.377 0.000) 3.377 16.089 ( 0.000 0.528 0.000) 0.528 16.168 ( 0.000 3.008 0.000) 3.008 16.240 ( 0.000 -3.755 0.000) 3.755 16.343 ( 0.000 -5.926 0.000) 5.926 16.563 ( 0.000 -5.956 0.000) 5.956 16.634 ( 0.000 -5.935 0.000) 5.935 19.952 ( 0.000 6.818 0.000) 6.818 20.220 ( 0.000 1.870 0.000) 1.870 20.416 ( 0.000 -5.325 0.000) 5.325 20.451 ( 0.000 -4.325 0.000) 4.325 21.351 ( 0.000 12.858 0.000) 12.858 21.401 ( 0.000 12.442 0.000) 12.442 22.118 ( 0.000 -6.335 0.000) 6.335 22.320 ( 0.000 -7.711 0.000) 7.711 25.854 ( 0.000 19.257 0.000) 19.257 26.838 ( 0.000 6.862 0.000) 6.862 27.943 ( 0.000 -22.647 0.000) 22.647 28.042 ( 0.000 -25.832 0.000) 25.832 29.718 ( 0.000 14.231 0.000) 14.231 30.044 ( 0.000 0.855 0.000) 0.855 30.141 ( 0.000 1.691 0.000) 1.691 30.272 ( 0.000 2.164 0.000) 2.164 31.141 ( 0.000 -0.152 0.000) 0.152 31.393 ( 0.000 -0.711 0.000) 0.711 31.502 ( 0.000 -8.903 0.000) 8.903 31.581 ( 0.000 -10.964 0.000) 10.964 32.510 ( 0.000 11.401 0.000) 11.401 32.722 ( 0.000 9.769 0.000) 9.769 33.063 ( 0.000 -1.396 0.000) 1.396 33.335 ( 0.000 -4.397 0.000) 4.397 36.460 ( 0.000 -2.917 0.000) 2.917 36.577 ( 0.000 -4.149 0.000) 4.149 36.764 ( 0.000 4.723 0.000) 4.723 36.971 ( 0.000 3.325 0.000) 3.325 37.037 ( 0.000 0.999 0.000) 0.999 37.260 ( 0.000 -5.143 0.000) 5.143 37.361 ( 0.000 8.311 0.000) 8.311 37.914 ( 0.000 -4.061 0.000) 4.061 ======================= Grid point 19 (12/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.187 25.509 1.456) 25.891 1.313 ( 10.800 20.988 11.202) 26.127 1.903 ( 2.426 15.521 -4.039) 16.221 2.103 ( 8.084 4.299 -4.843) 10.358 2.197 ( 15.962 12.988 -2.014) 20.677 2.259 ( -4.744 7.909 -1.974) 9.431 2.463 ( 3.891 9.441 -0.969) 10.257 2.606 ( 0.249 -0.489 7.540) 7.560 2.729 ( -0.713 0.472 -0.648) 1.073 2.912 ( -3.040 -2.573 1.139) 4.142 2.961 ( -3.458 -3.008 5.426) 7.103 3.140 ( -1.154 1.012 -2.749) 3.148 3.240 ( 9.684 -2.728 -1.170) 10.129 3.274 ( 4.023 -4.276 -2.443) 6.359 3.421 ( 1.895 -3.606 -0.089) 4.075 3.531 ( 6.300 -3.281 4.646) 8.487 3.788 ( -0.076 5.977 -0.278) 5.984 3.891 ( -0.899 -0.777 -1.680) 2.058 4.053 ( 7.093 0.920 0.329) 7.160 4.141 ( -1.279 -1.060 -1.259) 2.085 4.226 ( 1.602 1.780 -2.659) 3.578 4.320 ( -0.006 -3.803 -0.263) 3.812 4.385 ( -3.677 -1.395 3.144) 5.035 4.435 ( -3.919 -1.365 -0.600) 4.193 4.542 ( -1.605 -0.753 -2.516) 3.078 4.651 ( 4.328 0.167 -2.596) 5.050 4.701 ( 3.227 -5.131 -1.264) 6.192 4.722 ( 3.992 0.710 2.605) 4.820 4.828 ( -1.456 -4.157 0.251) 4.412 4.902 ( -2.251 1.341 -1.747) 3.149 5.068 ( -2.426 -4.661 1.811) 5.558 5.182 ( -7.882 -1.952 0.784) 8.158 5.282 ( 3.088 4.291 -3.090) 6.123 5.368 ( 2.855 1.332 -2.886) 4.273 5.423 ( 2.553 2.930 3.592) 5.292 5.535 ( -0.111 0.333 1.531) 1.570 5.539 ( 3.064 1.406 -5.345) 6.320 5.638 ( -5.355 -2.872 -1.677) 6.304 5.679 ( 5.104 -0.502 2.562) 5.733 5.871 ( 5.027 -0.587 -1.279) 5.220 5.929 ( -2.128 -1.653 1.035) 2.886 5.997 ( 3.175 -0.591 0.329) 3.246 6.203 ( 7.767 -3.429 0.220) 8.494 6.291 ( -0.846 -0.970 1.378) 1.886 6.320 ( -0.375 7.511 -2.081) 7.803 6.370 ( 1.706 7.551 2.576) 8.158 6.579 ( 2.641 -3.562 6.754) 8.079 6.692 ( -2.013 1.678 -1.559) 3.050 7.450 ( -1.735 1.194 -0.405) 2.145 7.552 ( -0.776 -3.440 -0.510) 3.563 7.621 ( -2.722 2.062 -0.923) 3.537 7.648 ( -0.305 0.538 -1.669) 1.780 7.701 ( -3.044 0.473 1.240) 3.321 7.789 ( 1.540 0.387 1.475) 2.168 7.868 ( -1.836 2.795 -0.830) 3.445 7.914 ( 2.061 1.570 -0.898) 2.742 9.531 ( -4.029 1.884 0.316) 4.459 9.646 ( -4.814 1.440 -0.602) 5.061 9.835 ( -4.026 -1.695 -0.563) 4.404 9.951 ( -6.645 -3.451 -0.668) 7.517 10.025 ( -0.823 1.918 -0.060) 2.088 10.040 ( -0.551 4.812 -0.839) 4.915 10.338 ( 0.226 -3.223 1.227) 3.456 10.434 ( 0.619 -4.511 0.172) 4.556 11.420 ( -1.127 -0.355 -1.749) 2.111 11.476 ( 0.583 -0.318 0.402) 0.776 11.493 ( 1.497 -0.946 0.507) 1.842 11.510 ( 0.276 -1.702 0.973) 1.980 11.991 ( -2.903 3.551 0.190) 4.590 12.039 ( -3.475 3.336 -0.257) 4.824 12.315 ( -2.991 -3.446 -0.474) 4.588 12.378 ( -1.785 -3.235 0.026) 3.694 13.434 ( -2.059 12.319 -1.229) 12.550 13.851 ( -15.186 16.127 -8.599) 23.763 14.105 ( 1.301 1.190 0.419) 1.813 14.252 ( 1.341 -1.935 -5.500) 5.982 14.378 ( -3.972 -3.651 10.623) 11.915 14.522 ( 6.575 -7.993 -0.873) 10.387 14.875 ( -1.514 -11.308 -2.336) 11.645 15.160 ( 2.332 -4.714 3.867) 6.528 15.960 ( 1.317 3.247 -0.030) 3.504 15.964 ( 1.873 -1.630 0.428) 2.519 16.069 ( -1.023 0.121 -2.135) 2.371 16.169 ( 0.410 2.516 -0.238) 2.561 16.273 ( 1.964 -4.666 2.444) 5.622 16.375 ( 2.190 -5.472 1.960) 6.211 16.546 ( -1.270 -5.427 -0.700) 5.617 16.635 ( -0.162 -6.288 -0.017) 6.290 19.970 ( 1.439 6.571 1.066) 6.810 20.142 ( -4.683 4.816 -3.754) 7.695 20.439 ( 0.419 -5.177 2.115) 5.608 20.451 ( 0.698 -3.838 -1.638) 4.231 21.373 ( -1.869 12.634 -1.833) 12.902 21.413 ( 3.657 12.023 3.831) 13.138 22.170 ( 4.386 -6.086 2.122) 7.797 22.323 ( 1.406 -8.130 -1.175) 8.334 25.849 ( -1.276 19.627 1.062) 19.697 26.532 ( -18.506 18.650 -11.857) 28.825 28.005 ( -0.983 -22.105 -0.512) 22.133 28.170 ( 10.349 -37.311 7.643) 39.467 29.743 ( 0.121 13.929 1.337) 13.993 30.068 ( 2.707 1.574 1.296) 3.389 30.140 ( 0.803 1.150 -0.766) 1.598 30.396 ( 9.492 -1.685 4.549) 10.660 31.151 ( 1.081 0.867 0.135) 1.392 31.373 ( -0.491 -1.866 -1.505) 2.447 31.533 ( 4.165 -8.939 -1.777) 10.021 31.675 ( 7.411 -11.898 4.526) 14.730 32.515 ( 0.261 11.107 0.508) 11.122 32.699 ( -1.909 9.257 -1.008) 9.505 33.070 ( -0.581 -1.259 2.156) 2.564 33.291 ( -4.100 -3.097 -1.918) 5.484 36.470 ( 1.061 -2.920 0.255) 3.117 36.571 ( -0.254 -4.002 -0.838) 4.097 36.755 ( -2.137 4.256 2.411) 5.338 36.964 ( -1.686 2.613 1.421) 3.419 37.027 ( -0.541 0.862 -1.276) 1.633 37.197 ( -3.394 -3.854 -4.382) 6.751 37.383 ( 1.099 7.792 0.588) 7.891 37.883 ( -2.046 -1.321 -1.124) 2.682 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 5.811 21.070 0.200) 21.858 1.638 ( 12.451 15.036 10.463) 22.149 1.922 ( 6.809 12.588 -6.880) 15.879 2.073 ( 1.436 7.991 -1.990) 8.359 2.218 ( -2.200 2.519 -4.170) 5.346 2.428 ( -1.210 7.379 4.719) 8.842 2.573 ( 16.238 10.055 1.544) 19.161 2.633 ( -7.799 0.657 0.264) 7.831 2.777 ( -3.256 2.098 6.128) 7.250 2.861 ( 6.992 -4.274 1.367) 8.308 3.086 ( 0.748 2.135 -4.656) 5.176 3.093 ( 12.410 -5.584 -0.209) 13.611 3.298 ( 2.299 -3.869 -6.359) 7.790 3.368 ( 1.899 1.614 4.250) 4.927 3.445 ( 9.685 3.240 -0.526) 10.226 3.674 ( 1.336 -2.921 2.142) 3.861 3.781 ( 0.737 3.787 -1.008) 3.988 3.913 ( 3.852 -4.481 0.784) 5.961 4.079 ( -2.998 -1.694 -3.049) 4.599 4.158 ( 0.801 5.073 -2.819) 5.859 4.207 ( 6.553 -2.672 -1.841) 7.312 4.334 ( -1.076 -1.006 -0.811) 1.682 4.383 ( 0.400 -0.022 4.092) 4.112 4.419 ( -1.917 -1.061 5.634) 6.045 4.534 ( 3.098 0.308 -0.520) 3.157 4.598 ( -6.800 -2.663 -2.125) 7.606 4.703 ( 2.061 -3.479 -4.268) 5.879 4.737 ( -2.180 -1.984 -1.745) 3.426 4.888 ( 6.441 -5.042 0.996) 8.240 4.928 ( 2.586 0.877 -0.427) 2.763 5.067 ( 0.744 -2.060 4.415) 4.928 5.098 ( -1.685 -1.111 2.279) 3.044 5.292 ( 0.817 -0.166 -5.207) 5.273 5.381 ( 4.697 3.797 -4.789) 7.708 5.482 ( -1.238 -1.758 -2.374) 3.203 5.489 ( 0.067 0.215 0.778) 0.810 5.554 ( -0.338 1.600 1.316) 2.099 5.604 ( 2.915 0.257 0.215) 2.934 5.824 ( 2.269 1.788 3.024) 4.182 5.868 ( 0.536 -3.237 1.176) 3.486 5.956 ( 2.899 -0.831 -1.617) 3.421 6.063 ( 4.354 1.281 -0.868) 4.621 6.239 ( 1.478 1.169 0.281) 1.905 6.319 ( 1.648 3.479 -1.096) 4.003 6.372 ( 5.244 -1.086 2.402) 5.870 6.450 ( 2.701 7.101 5.300) 9.264 6.618 ( -2.519 -0.345 -3.026) 3.952 6.691 ( 1.848 0.840 6.110) 6.439 7.414 ( -2.069 0.913 -0.369) 2.292 7.535 ( -1.459 -1.560 -0.244) 2.150 7.561 ( -2.615 2.051 -1.696) 3.731 7.619 ( -3.168 2.983 -1.555) 4.621 7.654 ( -2.417 -0.787 1.357) 2.881 7.822 ( 1.022 0.212 -0.375) 1.108 7.831 ( -0.633 1.692 -0.698) 1.937 7.893 ( -2.978 1.682 -1.858) 3.892 9.445 ( -6.397 0.136 -0.105) 6.399 9.538 ( -6.973 0.302 -0.136) 6.981 9.746 ( -6.124 -2.190 -0.287) 6.510 9.820 ( -7.711 -4.679 -0.022) 9.020 9.992 ( -2.383 1.851 -0.755) 3.110 10.023 ( -0.171 6.450 -1.292) 6.580 10.357 ( 0.248 -3.838 1.582) 4.159 10.448 ( 0.561 -4.091 0.380) 4.147 11.394 ( -0.255 -0.267 -1.006) 1.072 11.482 ( 0.162 -1.714 -0.630) 1.833 11.525 ( 2.086 0.073 0.827) 2.245 11.544 ( 1.441 -0.054 2.072) 2.524 11.911 ( -5.707 3.582 -0.632) 6.768 11.976 ( -3.983 3.514 -0.383) 5.325 12.247 ( -3.823 -3.932 -0.980) 5.571 12.344 ( -2.356 -3.987 0.018) 4.631 13.374 ( -3.029 13.392 -2.000) 13.875 13.623 ( -6.557 17.143 -0.726) 18.368 14.140 ( 0.985 0.151 0.678) 1.205 14.217 ( 2.498 -2.063 -5.907) 6.737 14.406 ( -2.815 -1.067 7.220) 7.823 14.603 ( 2.861 -10.129 1.807) 10.679 14.794 ( -3.758 -8.292 -4.985) 10.379 15.207 ( -0.329 -9.494 2.477) 9.818 15.981 ( 0.962 2.682 -0.101) 2.851 16.003 ( 2.188 -1.892 0.264) 2.904 16.024 ( -1.203 0.147 -2.512) 2.789 16.174 ( 0.612 1.556 -0.512) 1.748 16.330 ( 1.961 -5.753 1.711) 6.314 16.427 ( 1.990 -4.801 0.176) 5.200 16.530 ( 0.167 -5.147 0.506) 5.175 16.623 ( -1.518 -6.190 0.589) 6.400 20.014 ( 2.053 6.184 1.481) 6.682 20.045 ( -2.685 7.177 -2.713) 8.129 20.434 ( -0.494 -2.630 -2.068) 3.382 20.462 ( 0.181 -4.980 1.728) 5.274 21.321 ( -1.693 13.223 -2.231) 13.516 21.501 ( 2.196 13.629 3.194) 14.170 22.264 ( 3.688 -5.916 1.324) 7.096 22.359 ( 4.000 -9.525 0.258) 10.334 25.834 ( -2.014 20.464 1.424) 20.612 26.194 ( -10.859 23.502 -6.309) 26.647 27.956 ( -1.419 -24.688 -4.464) 25.128 28.360 ( 3.581 -40.848 7.695) 41.721 29.738 ( 1.659 14.072 -3.685) 14.641 30.106 ( 1.134 2.313 -1.407) 2.935 30.179 ( 3.766 0.837 0.701) 3.921 30.587 ( 5.267 -4.126 7.665) 10.175 31.166 ( 0.979 3.865 -1.388) 4.221 31.375 ( 2.258 -3.928 -0.288) 4.540 31.583 ( 4.079 -8.999 -2.740) 10.253 31.862 ( 7.648 -12.236 5.919) 15.597 32.529 ( 0.630 10.380 0.895) 10.438 32.653 ( -1.967 8.034 -1.057) 8.339 33.081 ( -1.036 -1.206 2.568) 3.020 33.177 ( -6.456 -1.108 -2.812) 7.128 36.495 ( 1.668 -3.223 -0.048) 3.629 36.552 ( -0.586 -3.556 -1.197) 3.797 36.757 ( -1.954 2.624 5.011) 5.984 36.946 ( -2.164 1.326 1.590) 2.995 36.997 ( -0.262 0.520 -3.179) 3.232 37.088 ( -4.504 -3.967 -4.065) 7.249 37.406 ( 2.383 9.031 -1.195) 9.416 37.850 ( -1.884 1.503 0.947) 2.589 ======================= Grid point 21 (14/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 8.662 17.351 0.126) 19.394 1.800 ( -1.731 11.537 -0.505) 11.677 1.996 ( 1.294 12.754 2.838) 13.130 2.111 ( 7.989 6.067 -3.353) 10.577 2.196 ( 5.467 11.258 -0.511) 12.525 2.428 ( -3.017 -3.695 3.064) 5.669 2.545 ( -4.472 3.940 5.281) 7.962 2.669 ( -2.837 5.736 -0.214) 6.403 2.716 ( -4.552 2.836 -4.070) 6.733 3.047 ( 5.726 -4.930 2.849) 8.075 3.112 ( 9.962 4.402 -0.225) 10.894 3.208 ( 6.122 -1.792 -7.559) 9.890 3.357 ( -0.543 -1.675 2.504) 3.061 3.424 ( 6.005 -1.629 1.663) 6.441 3.626 ( 6.300 1.855 1.856) 6.824 3.657 ( 0.702 1.206 -1.392) 1.972 3.806 ( 1.838 -2.230 0.186) 2.896 3.946 ( 0.811 -6.838 -3.828) 7.879 4.050 ( 1.644 1.703 0.991) 2.566 4.088 ( -2.202 3.281 -4.787) 6.208 4.271 ( 0.202 -2.243 0.495) 2.306 4.357 ( -6.296 -1.962 -0.359) 6.605 4.377 ( -1.268 1.848 3.331) 4.015 4.431 ( -1.543 -2.234 1.236) 2.984 4.507 ( 7.840 0.374 6.469) 10.171 4.612 ( -3.574 -7.356 -4.536) 9.352 4.717 ( 8.071 0.351 1.013) 8.142 4.718 ( 1.538 -1.090 -0.904) 2.090 4.956 ( 1.222 -3.114 0.887) 3.461 5.002 ( 5.963 -5.066 1.111) 7.903 5.105 ( 0.170 3.320 -0.544) 3.368 5.159 ( 2.496 0.197 2.541) 3.567 5.188 ( -3.508 -0.391 -7.014) 7.852 5.391 ( -1.524 0.641 0.216) 1.667 5.452 ( -4.499 -2.745 -0.267) 5.277 5.516 ( 4.984 5.091 0.211) 7.127 5.582 ( 3.753 -4.454 -1.871) 6.118 5.633 ( 0.392 4.156 -1.154) 4.331 5.785 ( -3.836 1.557 0.799) 4.216 5.934 ( 2.461 -1.903 1.011) 3.271 5.998 ( 3.731 0.735 -1.908) 4.254 6.101 ( -0.362 1.009 2.531) 2.749 6.300 ( 4.020 1.971 0.222) 4.483 6.338 ( 1.376 2.111 -0.649) 2.602 6.459 ( 3.645 -0.476 0.094) 3.677 6.558 ( 3.376 5.637 5.556) 8.605 6.578 ( 1.256 3.273 -0.348) 3.523 6.754 ( -0.652 1.162 2.750) 3.056 7.381 ( -1.356 1.363 -0.183) 1.931 7.453 ( -6.321 2.320 -0.587) 6.759 7.508 ( -1.941 2.742 -1.557) 3.703 7.589 ( 0.867 -1.302 -0.384) 1.611 7.632 ( -1.434 2.496 0.479) 2.918 7.773 ( -4.374 0.566 -3.414) 5.577 7.831 ( 0.726 -0.585 0.041) 0.933 7.853 ( -0.282 0.490 0.442) 0.718 9.339 ( -5.243 -0.965 -0.632) 5.368 9.441 ( -4.714 -1.240 0.507) 4.901 9.640 ( -5.637 -3.740 -0.173) 6.768 9.724 ( -4.296 -6.277 0.573) 7.628 9.948 ( -1.650 3.497 -0.808) 3.950 10.009 ( -0.135 6.841 -0.995) 6.914 10.371 ( -0.053 -4.312 0.806) 4.387 10.457 ( 0.107 -3.306 0.434) 3.336 11.388 ( 0.166 -0.214 -0.489) 0.559 11.474 ( -0.182 -1.727 -0.659) 1.858 11.572 ( 2.161 0.883 0.874) 2.493 11.587 ( 1.451 0.632 1.689) 2.315 11.825 ( -3.683 3.927 -0.356) 5.396 11.903 ( -3.655 3.834 -0.890) 5.371 12.186 ( -2.277 -4.726 -0.753) 5.299 12.308 ( -1.753 -4.659 -0.107) 4.979 13.315 ( -1.901 13.235 -1.169) 13.422 13.583 ( -1.008 15.083 2.464) 15.316 14.111 ( -1.212 -1.554 -3.340) 3.878 14.262 ( 4.156 -2.364 1.404) 4.983 14.431 ( -1.119 0.153 4.105) 4.257 14.641 ( -2.294 -10.283 0.309) 10.540 14.680 ( -0.801 -4.053 -4.786) 6.323 15.210 ( -1.157 -12.346 1.280) 12.466 15.974 ( -0.890 -0.731 -1.212) 1.672 15.994 ( 0.149 3.424 -0.966) 3.561 16.041 ( 1.461 -2.091 0.607) 2.622 16.181 ( 0.768 0.544 -0.443) 1.040 16.364 ( 0.968 -5.796 0.327) 5.885 16.437 ( 0.598 -4.351 -1.374) 4.601 16.559 ( 1.206 -5.409 1.620) 5.774 16.605 ( -1.272 -5.898 0.712) 6.075 19.992 ( -0.975 8.014 -1.473) 8.206 20.065 ( 1.672 5.521 1.401) 5.937 20.401 ( -0.992 -1.693 -1.587) 2.523 20.478 ( 0.104 -4.832 0.950) 4.926 21.282 ( -0.716 13.823 -1.425) 13.915 21.546 ( 0.605 16.302 1.548) 16.386 22.308 ( 1.628 -7.695 -0.201) 7.868 22.439 ( 3.493 -9.156 1.434) 9.903 25.813 ( -1.634 20.977 0.744) 21.054 26.037 ( -4.229 22.883 -1.855) 23.345 27.887 ( -1.453 -25.893 -3.775) 26.207 28.453 ( 0.693 -40.800 4.701) 41.076 29.738 ( 2.626 13.276 -3.642) 14.014 30.102 ( 0.463 1.618 -1.367) 2.168 30.238 ( 2.338 1.937 0.320) 3.053 30.711 ( 1.912 -3.680 5.650) 7.008 31.151 ( -0.090 6.207 -2.348) 6.637 31.436 ( 3.657 -5.037 1.498) 6.403 31.601 ( 1.403 -8.925 -2.800) 9.459 32.009 ( 3.678 -9.090 4.237) 10.682 32.548 ( 0.655 9.638 0.401) 9.668 32.629 ( -0.093 6.431 0.121) 6.433 33.043 ( -5.473 -0.782 -2.787) 6.191 33.087 ( -1.073 -1.099 1.831) 2.390 36.511 ( 0.450 -4.544 -0.815) 4.639 36.542 ( 0.458 -2.795 -0.208) 2.840 36.790 ( -0.926 1.133 6.277) 6.445 36.927 ( -0.058 1.255 -2.119) 2.463 36.962 ( 0.112 0.330 -3.544) 3.561 36.982 ( -4.681 -4.611 -0.943) 6.638 37.437 ( 2.319 9.312 -0.855) 9.635 37.835 ( -1.427 2.630 1.409) 3.307 ======================= Grid point 22 (15/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 14.828 0.000) 14.828 1.714 ( -0.000 15.211 0.000) 15.211 1.998 ( 0.000 9.868 0.000) 9.868 2.216 ( 0.000 -2.792 0.000) 2.792 2.252 ( 0.000 13.198 0.000) 13.198 2.452 ( 0.000 1.346 0.000) 1.346 2.549 ( 0.000 6.309 -0.000) 6.309 2.588 ( -0.000 -2.438 0.000) 2.438 2.634 ( -0.000 12.894 0.000) 12.894 3.104 ( 0.000 -6.386 0.000) 6.386 3.217 ( 0.000 -4.406 0.000) 4.406 3.230 ( -0.000 4.553 -0.000) 4.553 3.399 ( -0.000 -4.030 -0.000) 4.030 3.419 ( 0.000 8.951 0.000) 8.951 3.640 ( 0.000 -2.496 0.000) 2.496 3.736 ( 0.000 -4.396 0.000) 4.396 3.826 ( 0.000 -1.154 0.000) 1.154 3.914 ( -0.000 -4.753 -0.000) 4.753 4.022 ( 0.000 1.237 0.000) 1.237 4.093 ( 0.000 0.737 0.000) 0.737 4.221 ( -0.000 -2.342 -0.000) 2.342 4.329 ( 0.000 -2.977 0.000) 2.977 4.386 ( 0.000 0.974 0.000) 0.974 4.451 ( 0.000 0.777 0.000) 0.777 4.528 ( 0.000 -8.089 -0.000) 8.089 4.681 ( 0.000 -3.300 0.000) 3.300 4.713 ( 0.000 4.225 0.000) 4.225 4.839 ( 0.000 0.815 0.000) 0.815 4.898 ( -0.000 -2.613 -0.000) 2.613 5.054 ( 0.000 -3.449 0.000) 3.449 5.118 ( 0.000 -5.703 0.000) 5.703 5.136 ( 0.000 -3.683 0.000) 3.683 5.213 ( -0.000 6.619 0.000) 6.619 5.341 ( 0.000 -1.803 -0.000) 1.803 5.401 ( 0.000 3.718 0.000) 3.718 5.539 ( 0.000 2.087 -0.000) 2.087 5.617 ( 0.000 5.297 -0.000) 5.297 5.636 ( -0.000 -4.172 0.000) 4.172 5.753 ( 0.000 2.401 0.000) 2.401 5.971 ( 0.000 -1.901 0.000) 1.901 6.014 ( 0.000 6.647 0.000) 6.647 6.110 ( 0.000 -3.712 0.000) 3.712 6.342 ( -0.000 1.594 -0.000) 1.594 6.342 ( 0.000 1.933 0.000) 1.933 6.488 ( 0.000 -0.061 0.000) 0.061 6.598 ( 0.000 4.130 0.000) 4.130 6.656 ( 0.000 4.581 0.000) 4.581 6.728 ( 0.000 2.599 0.000) 2.599 7.371 ( -0.000 2.015 0.000) 2.015 7.388 ( 0.000 1.439 0.000) 1.439 7.486 ( 0.000 3.244 0.000) 3.244 7.584 ( 0.000 0.438 0.000) 0.438 7.641 ( 0.000 4.368 0.000) 4.368 7.699 ( 0.000 -2.314 0.000) 2.314 7.839 ( -0.000 0.135 0.000) 0.135 7.855 ( 0.000 -1.871 0.000) 1.871 9.289 ( 0.000 -1.074 0.000) 1.074 9.404 ( 0.000 -2.127 0.000) 2.127 9.588 ( 0.000 -4.371 0.000) 4.371 9.691 ( 0.000 -7.155 0.000) 7.155 9.930 ( 0.000 4.281 0.000) 4.281 10.002 ( 0.000 7.053 0.000) 7.053 10.374 ( 0.000 -4.456 0.000) 4.456 10.460 ( 0.000 -2.890 -0.000) 2.890 11.386 ( 0.000 -0.242 0.000) 0.242 11.469 ( 0.000 -1.597 -0.000) 1.597 11.595 ( 0.000 1.320 0.000) 1.320 11.614 ( 0.000 0.792 -0.000) 0.792 11.792 ( 0.000 4.204 0.000) 4.204 11.863 ( 0.000 3.897 0.000) 3.897 12.163 ( 0.000 -5.080 0.000) 5.080 12.292 ( 0.000 -4.927 0.000) 4.927 13.293 ( 0.000 12.908 0.000) 12.908 13.594 ( 0.000 14.465 0.000) 14.465 14.079 ( 0.000 -1.890 0.000) 1.890 14.320 ( 0.000 -4.315 -0.000) 4.315 14.443 ( 0.000 0.564 0.000) 0.564 14.575 ( 0.000 -3.447 0.000) 3.447 14.680 ( 0.000 -7.814 0.000) 7.814 15.206 ( 0.000 -13.385 0.000) 13.385 15.958 ( 0.000 -0.942 0.000) 0.942 15.991 ( 0.000 3.789 -0.000) 3.789 16.057 ( 0.000 -2.356 0.000) 2.356 16.186 ( 0.000 0.116 0.000) 0.116 16.372 ( 0.000 -5.538 0.000) 5.538 16.434 ( 0.000 -4.366 0.000) 4.366 16.579 ( 0.000 -5.519 0.000) 5.519 16.598 ( 0.000 -5.819 -0.000) 5.819 19.978 ( 0.000 8.042 0.000) 8.042 20.087 ( 0.000 5.429 0.000) 5.429 20.383 ( 0.000 -1.373 0.000) 1.373 20.484 ( 0.000 -4.771 0.000) 4.771 21.269 ( 0.000 14.055 0.000) 14.055 21.557 ( 0.000 17.386 0.000) 17.386 22.321 ( 0.000 -8.408 -0.000) 8.408 22.477 ( 0.000 -8.958 0.000) 8.958 25.802 ( 0.000 20.957 0.000) 20.957 25.997 ( 0.000 22.557 0.000) 22.557 27.854 ( 0.000 -26.079 0.000) 26.079 28.481 ( 0.000 -40.552 0.000) 40.552 29.744 ( 0.000 12.576 0.000) 12.576 30.099 ( 0.000 1.399 0.000) 1.399 30.258 ( 0.000 2.331 0.000) 2.331 30.756 ( 0.000 -3.471 0.000) 3.471 31.136 ( 0.000 6.996 -0.000) 6.996 31.485 ( 0.000 -4.986 -0.000) 4.986 31.589 ( 0.000 -9.032 0.000) 9.032 32.059 ( 0.000 -6.906 0.000) 6.906 32.555 ( 0.000 8.973 0.000) 8.973 32.638 ( 0.000 6.047 0.000) 6.047 32.975 ( 0.000 -1.076 0.000) 1.076 33.087 ( 0.000 -1.247 -0.000) 1.247 36.508 ( 0.000 -4.948 0.000) 4.948 36.548 ( 0.000 -2.825 0.000) 2.825 36.831 ( 0.000 0.411 0.000) 0.411 36.893 ( 0.000 1.068 -0.000) 1.068 36.942 ( -0.000 -0.003 0.000) 0.003 36.947 ( 0.000 -4.002 -0.000) 4.002 37.454 ( 0.000 9.221 0.000) 9.221 37.830 ( 0.000 2.942 0.000) 2.942 ======================= Grid point 27 (16/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 21.835 0.000) 21.835 1.787 ( 0.000 25.675 0.000) 25.675 2.073 ( 0.000 -1.009 0.000) 1.009 2.115 ( 0.000 7.865 0.000) 7.865 2.294 ( 0.000 1.077 0.000) 1.077 2.432 ( 0.000 10.444 0.000) 10.444 2.580 ( 0.000 -3.655 0.000) 3.655 2.599 ( 0.000 -4.655 0.000) 4.655 2.772 ( 0.000 5.573 0.000) 5.573 2.906 ( 0.000 -1.857 0.000) 1.857 2.949 ( 0.000 -0.095 0.000) 0.095 3.031 ( 0.000 -5.234 0.000) 5.234 3.143 ( 0.000 0.669 0.000) 0.669 3.303 ( 0.000 2.514 0.000) 2.514 3.312 ( 0.000 3.858 0.000) 3.858 3.347 ( 0.000 -6.096 0.000) 6.096 3.833 ( 0.000 2.437 0.000) 2.437 3.976 ( 0.000 0.035 0.000) 0.035 4.018 ( 0.000 5.149 0.000) 5.149 4.167 ( 0.000 -3.508 0.000) 3.508 4.200 ( 0.000 0.540 0.000) 0.540 4.240 ( 0.000 -4.011 0.000) 4.011 4.336 ( 0.000 -5.121 0.000) 5.121 4.402 ( 0.000 -3.866 0.000) 3.866 4.569 ( 0.000 1.140 0.000) 1.140 4.581 ( 0.000 -0.766 0.000) 0.766 4.618 ( 0.000 1.704 0.000) 1.704 4.742 ( 0.000 -1.670 0.000) 1.670 4.769 ( 0.000 0.674 0.000) 0.674 4.940 ( 0.000 -7.136 0.000) 7.136 5.127 ( 0.000 10.394 0.000) 10.394 5.219 ( 0.000 -2.304 0.000) 2.304 5.266 ( 0.000 -0.526 0.000) 0.526 5.439 ( 0.000 2.493 0.000) 2.493 5.445 ( 0.000 0.095 0.000) 0.095 5.471 ( 0.000 1.027 0.000) 1.027 5.567 ( 0.000 -2.575 0.000) 2.575 5.584 ( 0.000 -0.069 0.000) 0.069 5.630 ( 0.000 -5.722 0.000) 5.722 5.735 ( 0.000 -4.596 0.000) 4.596 5.942 ( 0.000 0.708 0.000) 0.708 6.022 ( 0.000 -0.927 0.000) 0.927 6.043 ( 0.000 3.534 0.000) 3.534 6.222 ( 0.000 -4.212 0.000) 4.212 6.457 ( 0.000 -0.392 0.000) 0.392 6.464 ( 0.000 1.949 0.000) 1.949 6.538 ( 0.000 9.473 0.000) 9.473 6.741 ( 0.000 -0.420 0.000) 0.420 7.485 ( 0.000 -0.268 0.000) 0.268 7.489 ( 0.000 -2.221 0.000) 2.221 7.633 ( 0.000 0.190 0.000) 0.190 7.693 ( 0.000 1.064 0.000) 1.064 7.751 ( 0.000 0.103 0.000) 0.103 7.763 ( 0.000 0.199 0.000) 0.199 7.926 ( 0.000 2.214 0.000) 2.214 7.953 ( 0.000 1.523 0.000) 1.523 9.646 ( 0.000 4.928 0.000) 4.928 9.741 ( 0.000 3.182 0.000) 3.182 9.827 ( 0.000 -2.884 0.000) 2.884 9.927 ( 0.000 -4.968 0.000) 4.968 10.048 ( 0.000 1.933 0.000) 1.933 10.179 ( 0.000 6.088 0.000) 6.088 10.228 ( 0.000 -6.042 0.000) 6.042 10.357 ( 0.000 -2.741 0.000) 2.741 11.434 ( 0.000 -1.213 0.000) 1.213 11.439 ( 0.000 -1.458 0.000) 1.458 11.471 ( 0.000 0.086 0.000) 0.086 11.473 ( 0.000 -0.347 0.000) 0.347 12.097 ( 0.000 4.620 0.000) 4.620 12.147 ( 0.000 3.525 0.000) 3.525 12.270 ( 0.000 -3.561 0.000) 3.561 12.317 ( 0.000 -4.366 0.000) 4.366 13.733 ( 0.000 13.906 0.000) 13.906 14.129 ( 0.000 2.965 0.000) 2.965 14.131 ( 0.000 -6.090 0.000) 6.090 14.259 ( 0.000 3.253 0.000) 3.253 14.355 ( 0.000 -5.445 0.000) 5.445 14.440 ( 0.000 11.874 0.000) 11.874 14.616 ( 0.000 -13.738 0.000) 13.738 14.978 ( 0.000 -10.756 0.000) 10.756 15.990 ( 0.000 5.449 0.000) 5.449 16.021 ( 0.000 3.468 0.000) 3.468 16.137 ( 0.000 3.554 0.000) 3.554 16.164 ( 0.000 -2.866 0.000) 2.866 16.204 ( 0.000 -2.335 0.000) 2.335 16.257 ( 0.000 0.632 0.000) 0.632 16.437 ( 0.000 -5.895 0.000) 5.895 16.473 ( 0.000 -9.126 0.000) 9.126 20.090 ( 0.000 6.328 0.000) 6.328 20.264 ( 0.000 2.283 0.000) 2.283 20.314 ( 0.000 -4.739 0.000) 4.739 20.374 ( 0.000 -3.201 0.000) 3.201 21.601 ( 0.000 10.970 0.000) 10.970 21.658 ( 0.000 12.187 0.000) 12.187 21.974 ( 0.000 -7.484 0.000) 7.484 22.131 ( 0.000 -10.216 0.000) 10.216 26.303 ( 0.000 23.563 0.000) 23.563 27.018 ( 0.000 10.497 0.000) 10.497 27.393 ( 0.000 -28.267 0.000) 28.267 27.603 ( 0.000 -17.782 0.000) 17.782 29.950 ( 0.000 8.051 0.000) 8.051 30.064 ( 0.000 0.763 0.000) 0.763 30.179 ( 0.000 1.991 0.000) 1.991 30.275 ( 0.000 -1.562 0.000) 1.562 31.156 ( 0.000 1.796 0.000) 1.796 31.340 ( 0.000 -7.014 0.000) 7.014 31.375 ( 0.000 -0.919 0.000) 0.919 31.414 ( 0.000 -4.774 0.000) 4.774 32.726 ( 0.000 9.305 0.000) 9.305 32.912 ( 0.000 8.633 0.000) 8.633 33.007 ( 0.000 -4.070 0.000) 4.070 33.225 ( 0.000 -6.202 0.000) 6.202 36.420 ( 0.000 -0.736 0.000) 0.736 36.492 ( 0.000 -3.751 0.000) 3.751 36.874 ( 0.000 5.704 0.000) 5.704 37.034 ( 0.000 2.495 0.000) 2.495 37.050 ( 0.000 -0.124 0.000) 0.124 37.146 ( 0.000 -5.417 0.000) 5.417 37.532 ( 0.000 7.936 0.000) 7.936 37.814 ( 0.000 -5.522 0.000) 5.522 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 5.148 18.574 4.301) 19.748 1.782 ( -1.212 23.586 2.531) 23.752 2.104 ( 2.382 8.849 -1.141) 9.235 2.128 ( 5.501 -0.967 -1.825) 5.876 2.352 ( -6.728 2.296 -4.219) 8.267 2.429 ( 12.754 -1.632 -0.100) 12.859 2.550 ( -1.518 0.895 4.463) 4.798 2.654 ( 2.276 -4.353 1.472) 5.128 2.777 ( 4.490 7.127 -4.667) 9.630 2.858 ( -7.857 1.756 6.177) 10.147 2.969 ( 1.008 1.596 0.362) 1.922 3.050 ( 5.740 -5.856 -2.819) 8.671 3.209 ( 0.675 -1.133 1.226) 1.801 3.322 ( 4.463 6.555 -1.674) 8.105 3.372 ( 10.601 -1.281 0.003) 10.678 3.472 ( 9.796 -1.463 3.454) 10.489 3.827 ( -0.907 0.940 -0.512) 1.403 3.935 ( -2.594 3.197 -4.802) 6.325 4.059 ( 6.333 -0.874 -0.427) 6.407 4.088 ( -1.792 -2.614 -4.933) 5.863 4.236 ( -2.675 -1.216 2.868) 4.106 4.276 ( 3.280 0.095 0.420) 3.309 4.334 ( 0.102 -4.227 2.329) 4.828 4.376 ( -2.501 -3.735 -1.380) 4.702 4.556 ( -0.734 1.392 -0.620) 1.692 4.625 ( 3.306 -1.028 -0.223) 3.470 4.657 ( 4.014 0.453 0.194) 4.044 4.727 ( -1.203 -1.786 -0.625) 2.242 4.795 ( 0.133 1.515 3.793) 4.087 4.932 ( -1.981 -6.333 3.848) 7.671 4.981 ( -6.418 5.396 -5.489) 10.022 5.150 ( -6.929 -1.886 -0.745) 7.219 5.299 ( 1.505 -0.111 -2.465) 2.890 5.406 ( 1.462 0.319 -4.419) 4.666 5.477 ( 1.216 0.895 3.267) 3.599 5.523 ( -0.359 -0.070 -3.562) 3.581 5.570 ( 2.433 0.545 -1.130) 2.737 5.590 ( 0.047 -0.179 3.384) 3.389 5.671 ( 6.747 -0.363 3.769) 7.737 5.803 ( 4.278 -5.407 0.929) 6.958 5.943 ( 1.776 2.400 -0.481) 3.025 6.006 ( 2.089 0.793 -2.615) 3.440 6.143 ( 5.916 -1.407 1.022) 6.166 6.242 ( 1.987 -3.154 1.887) 4.178 6.432 ( -0.476 2.959 -1.616) 3.405 6.506 ( 1.291 -2.079 3.463) 4.241 6.556 ( 0.596 8.265 2.585) 8.681 6.721 ( -1.537 0.117 -0.567) 1.643 7.460 ( -1.140 -0.169 -1.151) 1.629 7.495 ( -0.459 -1.675 0.527) 1.815 7.626 ( -1.030 0.128 0.148) 1.049 7.677 ( -2.126 0.712 0.346) 2.269 7.717 ( -1.818 1.536 -0.207) 2.389 7.799 ( 0.886 -0.219 2.123) 2.311 7.911 ( -1.130 1.788 -1.443) 2.561 7.946 ( 0.472 0.842 -2.340) 2.531 9.601 ( -5.282 4.559 -0.084) 6.978 9.689 ( -5.716 2.789 -0.548) 6.384 9.788 ( -4.550 -2.961 -0.012) 5.429 9.863 ( -6.977 -4.778 -0.483) 8.470 10.052 ( -0.062 2.177 0.283) 2.197 10.172 ( -0.295 5.657 -0.467) 5.684 10.236 ( 0.736 -5.243 0.115) 5.296 10.364 ( 0.609 -2.923 0.107) 2.987 11.412 ( -0.398 -0.221 -1.862) 1.917 11.443 ( 0.764 -1.884 -1.266) 2.395 11.487 ( 1.042 0.059 1.376) 1.727 11.494 ( 0.930 -0.407 2.241) 2.460 12.073 ( -3.297 4.153 -0.095) 5.304 12.114 ( -3.230 3.904 -0.062) 5.067 12.238 ( -3.402 -3.837 -0.550) 5.157 12.298 ( -2.279 -4.417 0.084) 4.971 13.721 ( -1.609 14.565 0.190) 14.655 14.091 ( -4.106 3.774 -4.110) 6.927 14.135 ( 1.290 1.980 -0.895) 2.527 14.199 ( -3.441 -0.412 -0.582) 3.515 14.378 ( -1.027 -3.208 5.022) 6.048 14.422 ( 0.039 5.403 -1.462) 5.598 14.614 ( 0.204 -12.527 -1.770) 12.653 14.974 ( -0.940 -12.662 -0.060) 12.697 16.003 ( 1.291 4.916 0.362) 5.096 16.031 ( 0.749 3.450 0.473) 3.562 16.097 ( -1.431 2.061 -3.343) 4.180 16.180 ( 1.007 -3.066 1.144) 3.424 16.224 ( 0.850 0.432 0.642) 1.149 16.288 ( 1.564 -1.250 2.853) 3.486 16.418 ( -0.740 -6.753 -1.497) 6.957 16.483 ( -0.213 -7.753 1.257) 7.857 20.104 ( 1.064 6.103 0.826) 6.250 20.221 ( -2.033 2.821 -2.232) 4.132 20.345 ( 0.864 -3.861 2.013) 4.439 20.378 ( 0.977 -3.229 -0.973) 3.511 21.631 ( -0.965 11.912 -1.858) 12.095 21.651 ( 3.185 10.669 3.013) 11.534 22.031 ( 4.827 -7.108 2.286) 8.891 22.130 ( 0.950 -10.255 -1.856) 10.465 26.303 ( -0.828 23.775 1.500) 23.837 26.865 ( -9.863 14.333 -7.055) 18.775 27.459 ( 2.429 -29.729 1.698) 29.876 27.591 ( -0.899 -19.420 1.236) 19.480 29.972 ( 0.774 8.086 0.589) 8.145 30.103 ( 3.572 1.049 2.586) 4.533 30.170 ( 0.125 2.204 -1.663) 2.764 30.333 ( 5.597 -4.088 1.504) 7.092 31.179 ( 2.424 1.991 0.670) 3.208 31.341 ( 0.746 -2.471 -3.281) 4.174 31.377 ( 2.809 -4.409 0.073) 5.229 31.491 ( 5.269 -6.292 3.637) 8.977 32.725 ( -0.345 9.085 0.531) 9.107 32.876 ( -2.312 7.326 -2.293) 8.017 33.021 ( -0.658 -3.005 3.002) 4.298 33.195 ( -2.989 -5.746 -0.949) 6.546 36.429 ( 0.825 -0.851 0.373) 1.242 36.491 ( 0.072 -3.448 -0.308) 3.463 36.858 ( -2.594 5.384 1.386) 6.135 37.015 ( -3.565 2.020 2.352) 4.725 37.038 ( -0.876 -0.144 -1.002) 1.339 37.101 ( -2.258 -4.701 -4.272) 6.742 37.550 ( 1.707 7.849 0.282) 8.037 37.817 ( 0.616 -4.623 -0.325) 4.676 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.007 21.555 -0.327) 21.766 1.889 ( 6.799 11.127 5.965) 14.340 2.140 ( 5.468 6.555 -5.891) 10.371 2.202 ( 2.641 3.637 3.967) 5.995 2.266 ( -0.883 2.244 -1.812) 3.016 2.531 ( -4.421 2.744 -0.021) 5.203 2.579 ( -2.397 -3.769 2.618) 5.177 2.652 ( 7.301 -8.591 -1.332) 11.353 2.844 ( 3.885 6.202 -2.790) 7.832 2.903 ( 1.154 2.978 8.874) 9.431 2.976 ( 2.502 0.241 2.471) 3.525 3.132 ( 8.121 -0.671 -5.290) 9.716 3.262 ( 5.897 2.121 -0.170) 6.269 3.413 ( 6.780 2.021 0.550) 7.097 3.556 ( 8.507 5.396 -1.748) 10.225 3.603 ( 3.665 -3.405 -1.231) 5.152 3.796 ( 0.655 -3.168 -4.995) 5.951 3.863 ( -2.168 2.254 -0.445) 3.159 4.054 ( 1.975 -0.084 0.248) 1.993 4.142 ( 1.740 -2.763 -1.402) 3.553 4.203 ( -0.969 -0.839 -1.581) 2.035 4.310 ( -0.533 -2.474 0.154) 2.536 4.355 ( 2.833 -2.189 6.432) 7.361 4.381 ( 0.746 -2.749 0.860) 2.975 4.542 ( 0.090 1.660 -0.658) 1.788 4.620 ( -7.635 3.111 -0.996) 8.305 4.647 ( -0.768 1.140 -3.978) 4.209 4.721 ( 1.343 -1.237 1.056) 2.109 4.785 ( 0.468 -4.873 -1.369) 5.083 4.931 ( -1.344 -2.484 0.660) 2.900 5.028 ( 6.652 0.132 4.309) 7.927 5.084 ( 3.042 -0.169 4.103) 5.110 5.291 ( 0.857 1.306 -4.405) 4.674 5.421 ( 3.676 -1.427 -1.520) 4.226 5.430 ( -2.726 -0.803 -4.040) 4.939 5.468 ( -3.198 -1.653 -2.104) 4.170 5.610 ( 2.118 3.596 0.756) 4.241 5.680 ( 5.155 4.777 1.381) 7.162 5.804 ( 1.899 -2.812 3.376) 4.787 5.862 ( 2.476 0.056 2.677) 3.647 5.970 ( 2.189 1.876 -2.788) 4.010 6.052 ( 6.597 -1.525 -1.809) 7.009 6.232 ( 4.940 -0.330 0.824) 5.019 6.324 ( 5.579 -2.448 -0.031) 6.093 6.413 ( -1.109 3.605 1.156) 3.945 6.553 ( 0.844 -3.757 1.087) 4.001 6.602 ( 0.979 6.124 3.852) 7.301 6.710 ( 0.450 0.141 1.737) 1.800 7.433 ( -0.914 0.963 -0.818) 1.560 7.492 ( 0.016 -1.653 -0.222) 1.668 7.598 ( -2.465 0.734 -0.085) 2.573 7.629 ( -4.170 -0.699 0.264) 4.236 7.697 ( -0.891 4.130 0.713) 4.285 7.820 ( -0.398 -0.256 0.697) 0.842 7.868 ( -1.605 1.259 -1.814) 2.730 7.909 ( -1.947 -0.359 -2.969) 3.569 9.484 ( -8.268 3.548 -0.247) 9.001 9.562 ( -8.421 2.043 -0.290) 8.670 9.687 ( -7.427 -3.655 -0.203) 8.280 9.715 ( -9.474 -5.205 -0.360) 10.815 10.047 ( -0.596 3.453 -0.046) 3.504 10.163 ( -0.133 6.330 -0.643) 6.364 10.251 ( 0.727 -5.468 0.208) 5.520 10.376 ( 0.646 -3.412 0.205) 3.479 11.394 ( 0.271 0.367 -1.436) 1.507 11.442 ( 0.659 -1.863 -1.325) 2.379 11.531 ( 2.232 0.336 2.002) 3.017 11.542 ( 1.808 -0.195 2.656) 3.219 11.989 ( -5.462 3.902 -0.758) 6.756 12.058 ( -3.712 4.332 -0.021) 5.705 12.162 ( -4.475 -4.244 -0.962) 6.242 12.251 ( -3.195 -4.749 0.018) 5.724 13.686 ( -2.498 16.040 -0.464) 16.240 13.960 ( -6.219 14.102 -0.534) 15.422 14.145 ( -0.319 0.354 -1.076) 1.177 14.168 ( 1.965 -2.815 -2.873) 4.477 14.403 ( 0.085 -8.148 1.203) 8.237 14.434 ( -0.706 3.346 4.493) 5.646 14.582 ( -0.900 -10.785 -3.406) 11.346 14.941 ( -2.197 -15.036 -0.826) 15.218 16.024 ( 0.314 3.049 -2.439) 3.917 16.046 ( -0.077 4.326 2.439) 4.967 16.058 ( 0.947 2.054 -1.363) 2.641 16.206 ( 0.363 -0.724 0.590) 1.002 16.237 ( 0.526 -1.501 0.390) 1.638 16.340 ( 1.824 -2.640 0.973) 3.353 16.403 ( 0.281 -6.857 0.001) 6.863 16.484 ( -1.057 -6.693 1.073) 6.860 20.139 ( 1.714 5.612 1.395) 6.031 20.173 ( -1.231 5.076 -1.803) 5.525 20.368 ( 0.166 -3.612 0.269) 3.626 20.382 ( 0.510 -3.182 -0.225) 3.231 21.591 ( -0.791 12.732 -2.285) 12.960 21.754 ( 3.986 10.455 4.230) 11.962 22.117 ( 1.705 -8.951 -2.171) 9.367 22.157 ( 5.379 -8.742 2.010) 10.459 26.302 ( -1.481 24.190 1.839) 24.305 26.650 ( -7.892 20.457 -5.063) 22.503 27.433 ( -2.782 -26.065 -3.550) 26.453 27.632 ( 1.108 -28.910 4.429) 29.268 29.975 ( 1.078 8.754 -2.475) 9.161 30.148 ( 0.200 0.428 -2.188) 2.239 30.209 ( 4.849 3.151 2.123) 6.160 30.460 ( 5.428 -7.227 4.545) 10.117 31.246 ( 4.156 2.900 1.365) 5.248 31.324 ( 0.852 -0.182 -2.330) 2.487 31.430 ( 3.972 -4.854 -1.854) 6.540 31.638 ( 7.111 -9.437 4.609) 12.684 32.728 ( -0.260 8.553 1.056) 8.622 32.811 ( -2.850 6.710 -1.687) 7.483 33.033 ( -1.405 -3.135 2.613) 4.317 33.113 ( -5.195 -4.527 -1.745) 7.109 36.449 ( 0.988 -1.137 0.034) 1.507 36.487 ( 0.176 -2.621 -0.635) 2.702 36.828 ( -3.661 4.010 3.750) 6.599 36.970 ( -7.248 0.159 6.666) 9.849 37.006 ( -0.730 0.230 -2.881) 2.981 37.014 ( 0.211 -2.781 -8.688) 9.125 37.585 ( 2.449 7.954 -0.425) 8.333 37.827 ( 0.319 -3.180 0.597) 3.252 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.566 20.640 0.963) 21.399 2.009 ( 2.962 8.222 0.397) 8.748 2.180 ( 0.049 1.981 -1.256) 2.346 2.215 ( 3.065 8.008 -2.388) 8.901 2.310 ( 2.782 -1.456 2.389) 3.945 2.448 ( -1.262 6.557 -0.332) 6.686 2.571 ( -2.704 1.268 5.146) 5.950 2.737 ( -4.262 2.141 -2.468) 5.370 2.823 ( 5.242 -9.441 -1.392) 10.888 2.975 ( 0.081 0.436 5.248) 5.266 3.132 ( 9.429 3.760 1.546) 10.268 3.211 ( 4.805 2.227 -1.067) 5.403 3.347 ( 3.824 3.661 -6.736) 8.567 3.485 ( 3.276 3.610 4.717) 6.784 3.621 ( 0.001 -5.605 -6.441) 8.539 3.633 ( 4.695 -1.245 3.701) 6.107 3.758 ( 1.405 -2.814 -4.958) 5.872 3.833 ( -1.320 -1.621 -0.033) 2.091 4.050 ( -1.864 -0.608 -3.086) 3.656 4.117 ( -3.162 -0.030 -1.236) 3.395 4.226 ( 4.165 -1.731 0.689) 4.562 4.307 ( -5.727 -2.372 -1.765) 6.445 4.372 ( -2.606 -3.397 4.260) 6.040 4.427 ( -1.966 -1.169 3.253) 3.977 4.528 ( -1.178 2.742 -4.179) 5.135 4.546 ( 5.244 3.189 3.858) 7.249 4.684 ( 4.848 -0.717 3.169) 5.836 4.713 ( 2.653 -1.684 -0.294) 3.156 4.859 ( 3.274 -4.957 2.667) 6.512 4.921 ( 1.321 -3.890 1.305) 4.311 5.141 ( -0.637 1.792 -1.230) 2.264 5.190 ( -3.736 0.396 -9.155) 9.895 5.219 ( 5.515 4.029 2.873) 7.409 5.357 ( -0.394 -3.068 -1.309) 3.359 5.443 ( -0.098 0.996 3.275) 3.425 5.499 ( 5.694 -1.866 -0.591) 6.021 5.642 ( 1.777 5.129 -1.247) 5.569 5.724 ( 0.887 3.802 -2.159) 4.461 5.823 ( -1.491 0.754 2.003) 2.608 5.905 ( 0.002 -0.972 2.014) 2.236 6.011 ( 5.427 1.607 -1.442) 5.841 6.121 ( 1.848 -0.726 -0.282) 2.005 6.325 ( 5.016 0.919 -0.312) 5.109 6.367 ( 0.954 0.399 -1.353) 1.703 6.449 ( 2.323 0.667 1.636) 2.919 6.573 ( 2.369 -2.318 1.102) 3.493 6.671 ( 2.297 3.662 3.852) 5.790 6.747 ( 0.266 -1.199 1.943) 2.298 7.414 ( -0.282 1.676 -0.746) 1.857 7.474 ( -2.532 -0.357 -1.068) 2.771 7.555 ( -2.021 1.618 -0.065) 2.590 7.574 ( -1.368 0.076 0.245) 1.392 7.693 ( -1.102 3.762 1.323) 4.137 7.790 ( -2.629 1.026 -2.642) 3.866 7.822 ( -0.646 -0.438 -2.594) 2.709 7.856 ( -2.388 -1.075 1.050) 2.821 9.354 ( -6.298 2.676 -0.216) 6.846 9.436 ( -6.111 0.903 -0.040) 6.178 9.556 ( -6.771 -4.156 -0.568) 7.965 9.585 ( -6.003 -6.887 0.312) 9.141 10.035 ( -0.543 4.754 -0.164) 4.787 10.156 ( 0.014 6.930 -0.479) 6.946 10.261 ( 0.320 -5.708 0.050) 5.717 10.387 ( 0.370 -3.843 0.258) 3.869 11.390 ( 0.374 0.480 -0.858) 1.052 11.438 ( 0.234 -1.652 -0.789) 1.845 11.591 ( 2.394 0.732 1.644) 2.995 11.597 ( 1.762 0.344 2.206) 2.844 11.907 ( -3.260 4.100 -0.496) 5.261 11.994 ( -3.416 4.727 -0.556) 5.859 12.090 ( -2.804 -4.576 -0.770) 5.422 12.202 ( -2.396 -5.261 -0.140) 5.783 13.637 ( -2.158 17.368 -0.847) 17.522 13.910 ( -1.847 15.426 2.797) 15.786 14.102 ( -1.313 0.670 -2.988) 3.332 14.198 ( 2.927 -3.599 -0.851) 4.717 14.403 ( -1.083 -12.861 0.201) 12.909 14.468 ( -1.753 2.374 6.093) 6.770 14.530 ( 0.493 -8.399 -5.534) 10.070 14.900 ( -1.622 -15.336 -0.526) 15.430 15.985 ( -0.961 2.184 -1.902) 3.052 16.067 ( 0.210 3.352 0.535) 3.401 16.088 ( 1.920 4.313 1.417) 4.929 16.191 ( -1.341 0.640 -0.900) 1.737 16.258 ( 0.900 -4.311 0.579) 4.442 16.357 ( 0.775 -2.342 -1.028) 2.673 16.427 ( 1.073 -7.094 1.382) 7.307 16.474 ( -0.908 -6.131 0.634) 6.230 20.144 ( -0.534 6.359 -0.946) 6.451 20.182 ( 1.572 5.546 1.287) 5.906 20.354 ( -0.560 -3.015 -1.237) 3.306 20.394 ( 0.268 -3.569 0.699) 3.647 21.565 ( -0.185 13.429 -1.425) 13.505 21.846 ( 2.310 12.087 3.137) 12.700 22.111 ( 0.931 -10.937 -2.421) 11.240 22.258 ( 3.688 -8.164 1.778) 9.133 26.288 ( -1.580 24.190 0.587) 24.248 26.526 ( -3.397 23.986 -1.435) 24.268 27.351 ( -2.489 -25.637 -2.914) 25.922 27.682 ( 0.492 -33.228 2.697) 33.341 29.967 ( 1.169 8.639 -2.656) 9.113 30.130 ( 0.097 0.404 -1.711) 1.760 30.292 ( 2.930 3.731 1.159) 4.883 30.574 ( 3.036 -8.292 3.597) 9.535 31.297 ( 0.798 6.742 -0.894) 6.847 31.353 ( 3.885 -2.119 1.491) 4.670 31.456 ( 1.517 -4.030 -2.449) 4.954 31.785 ( 5.237 -11.683 3.268) 13.214 32.734 ( -0.517 7.822 0.223) 7.842 32.767 ( -0.784 6.556 0.557) 6.626 32.996 ( -4.665 -3.334 -2.321) 6.186 33.038 ( -1.619 -3.618 1.530) 4.248 36.453 ( 0.030 -1.104 -0.674) 1.294 36.490 ( 0.681 -2.170 -0.313) 2.296 36.821 ( -2.434 1.827 5.013) 5.865 36.910 ( -5.781 -2.467 3.223) 7.064 36.953 ( 0.932 0.876 -4.735) 4.905 36.969 ( 0.170 0.212 -3.705) 3.715 37.617 ( 1.897 7.821 -0.467) 8.061 37.836 ( -0.189 -2.196 0.842) 2.359 ======================= Grid point 31 (20/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 18.674 0.000) 18.674 2.009 ( -0.000 12.157 0.000) 12.157 2.156 ( 0.000 4.161 0.000) 4.161 2.276 ( 0.000 8.791 0.000) 8.791 2.290 ( 0.000 -3.686 0.000) 3.686 2.542 ( 0.000 4.187 0.000) 4.187 2.573 ( 0.000 1.356 -0.000) 1.356 2.591 ( -0.000 1.321 0.000) 1.321 2.883 ( 0.000 -9.720 -0.000) 9.720 3.008 ( 0.000 6.433 0.000) 6.433 3.232 ( 0.000 -2.341 -0.000) 2.341 3.247 ( 0.000 3.224 0.000) 3.224 3.319 ( -0.000 2.652 0.000) 2.652 3.553 ( 0.000 -6.716 -0.000) 6.716 3.634 ( -0.001 6.060 -0.000) 6.060 3.637 ( 0.001 2.096 0.000) 2.096 3.753 ( 0.000 -4.698 -0.000) 4.698 3.840 ( 0.000 -3.301 -0.000) 3.301 4.034 ( -0.000 -1.634 0.000) 1.634 4.036 ( 0.000 -5.543 -0.000) 5.543 4.211 ( -0.000 2.340 -0.000) 2.340 4.268 ( -0.000 -1.733 0.000) 1.733 4.383 ( 0.000 -4.597 0.000) 4.597 4.397 ( 0.000 -0.355 -0.000) 0.355 4.515 ( 0.000 3.352 0.000) 3.352 4.622 ( 0.000 -2.599 0.000) 2.599 4.757 ( 0.000 0.645 0.000) 0.645 4.848 ( 0.000 -2.628 0.000) 2.628 4.859 ( -0.000 1.906 -0.000) 1.906 4.958 ( 0.000 -4.397 0.000) 4.397 5.062 ( 0.000 -0.805 -0.000) 0.805 5.068 ( 0.000 -2.279 -0.000) 2.279 5.320 ( -0.000 3.028 0.000) 3.028 5.336 ( 0.000 0.626 0.000) 0.626 5.485 ( 0.000 3.593 0.000) 3.593 5.528 ( 0.000 -1.013 -0.000) 1.013 5.653 ( 0.000 3.829 0.000) 3.829 5.715 ( 0.000 3.741 0.000) 3.741 5.814 ( 0.000 2.394 0.000) 2.394 5.920 ( 0.000 -2.774 0.000) 2.774 6.067 ( 0.000 -0.074 0.000) 0.074 6.118 ( 0.000 2.244 0.000) 2.244 6.361 ( -0.000 0.669 0.000) 0.669 6.371 ( 0.000 0.810 0.000) 0.810 6.473 ( 0.000 0.173 0.000) 0.173 6.625 ( 0.000 -2.085 0.000) 2.085 6.731 ( -0.000 2.034 -0.000) 2.034 6.736 ( 0.000 -0.315 0.000) 0.315 7.414 ( -0.000 1.281 0.000) 1.281 7.426 ( 0.000 2.316 0.000) 2.316 7.537 ( 0.000 1.742 -0.000) 1.742 7.575 ( 0.000 -0.631 0.000) 0.631 7.696 ( 0.000 1.764 0.000) 1.764 7.729 ( 0.000 3.877 -0.000) 3.877 7.812 ( 0.000 -2.331 0.000) 2.331 7.840 ( 0.000 -0.698 -0.000) 0.698 9.298 ( 0.000 2.365 0.000) 2.365 9.382 ( 0.000 0.243 0.000) 0.243 9.493 ( 0.000 -4.510 0.000) 4.510 9.535 ( 0.000 -7.599 0.000) 7.599 10.030 ( 0.000 5.216 0.000) 5.216 10.154 ( 0.000 7.190 0.000) 7.190 10.263 ( 0.000 -5.763 0.000) 5.763 10.392 ( 0.000 -3.999 0.000) 3.999 11.388 ( 0.000 0.496 0.000) 0.496 11.436 ( 0.000 -1.539 -0.000) 1.539 11.621 ( 0.000 1.013 0.000) 1.013 11.628 ( 0.000 0.506 -0.000) 0.506 11.878 ( 0.000 4.172 0.000) 4.172 11.958 ( 0.000 5.033 0.000) 5.033 12.063 ( 0.000 -4.688 0.000) 4.688 12.180 ( 0.000 -5.572 0.000) 5.572 13.613 ( 0.000 17.695 0.000) 17.695 13.917 ( 0.000 15.864 0.000) 15.864 14.070 ( 0.000 0.946 0.000) 0.946 14.225 ( 0.000 -4.306 -0.000) 4.306 14.386 ( 0.000 -14.495 0.000) 14.495 14.492 ( -0.000 4.225 0.000) 4.225 14.500 ( 0.000 -10.175 -0.000) 10.175 14.884 ( 0.000 -14.905 0.000) 14.905 15.967 ( 0.000 2.148 0.000) 2.148 16.071 ( 0.000 3.401 0.000) 3.401 16.120 ( 0.000 6.671 -0.000) 6.671 16.167 ( 0.000 -2.101 0.000) 2.101 16.269 ( 0.000 -4.340 0.000) 4.340 16.358 ( 0.000 -2.016 0.000) 2.016 16.445 ( 0.000 -7.290 0.000) 7.290 16.470 ( 0.000 -5.983 -0.000) 5.983 20.135 ( 0.000 6.828 0.000) 6.828 20.205 ( 0.000 5.679 0.000) 5.679 20.341 ( 0.000 -3.082 0.000) 3.082 20.400 ( 0.000 -3.622 0.000) 3.622 21.557 ( 0.000 13.680 0.000) 13.680 21.881 ( 0.000 13.502 0.000) 13.502 22.106 ( 0.000 -12.063 -0.000) 12.063 22.299 ( 0.000 -8.229 0.000) 8.229 26.275 ( 0.000 23.996 0.000) 23.996 26.495 ( 0.000 25.249 0.000) 25.249 27.313 ( 0.000 -25.826 0.000) 25.826 27.700 ( 0.000 -34.380 0.000) 34.380 29.963 ( 0.000 8.346 0.000) 8.346 30.122 ( 0.000 0.237 0.000) 0.237 30.322 ( 0.000 4.204 0.000) 4.204 30.619 ( 0.000 -8.509 0.000) 8.509 31.296 ( 0.000 6.831 -0.000) 6.831 31.421 ( -0.000 0.742 -0.000) 0.742 31.434 ( 0.000 -5.728 0.000) 5.728 31.848 ( 0.000 -12.382 0.000) 12.382 32.723 ( 0.000 6.948 0.000) 6.948 32.779 ( 0.000 7.406 -0.000) 7.406 32.931 ( 0.000 -3.127 0.000) 3.127 33.034 ( 0.000 -3.931 -0.000) 3.931 36.448 ( 0.000 -0.901 0.000) 0.901 36.495 ( 0.000 -2.263 -0.000) 2.263 36.838 ( 0.000 0.313 0.000) 0.313 36.865 ( 0.000 -1.555 0.000) 1.555 36.943 ( 0.000 0.891 0.000) 0.891 36.947 ( 0.000 0.369 -0.000) 0.369 37.631 ( 0.000 7.653 0.000) 7.653 37.838 ( 0.000 -1.830 0.000) 1.830 ======================= Grid point 36 (21/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.000 -10.094 0.000) 10.094 1.965 ( 0.000 10.094 0.000) 10.094 2.212 ( 0.000 -11.836 0.000) 11.836 2.212 ( 0.000 11.836 0.000) 11.836 2.349 ( 0.000 -13.739 0.000) 13.739 2.349 ( 0.000 13.739 0.000) 13.739 2.541 ( 0.000 -2.015 0.000) 2.015 2.541 ( 0.000 2.015 0.000) 2.015 2.802 ( 0.000 -9.203 0.000) 9.203 2.802 ( 0.000 9.203 0.000) 9.203 2.985 ( 0.000 -1.554 0.000) 1.554 2.985 ( 0.000 1.554 0.000) 1.554 3.234 ( 0.000 -5.394 0.000) 5.394 3.234 ( 0.000 5.394 0.000) 5.394 3.352 ( 0.000 -1.158 0.000) 1.158 3.352 ( 0.000 1.158 0.000) 1.158 3.942 ( 0.000 -4.535 0.000) 4.535 3.942 ( 0.000 4.535 0.000) 4.535 4.128 ( 0.000 -6.632 0.000) 6.632 4.128 ( 0.000 6.632 0.000) 6.632 4.148 ( 0.000 -3.017 0.000) 3.017 4.148 ( 0.000 3.017 0.000) 3.017 4.320 ( 0.000 -3.517 0.000) 3.517 4.320 ( 0.000 3.517 0.000) 3.517 4.582 ( 0.000 -0.079 0.000) 0.079 4.582 ( 0.000 0.079 0.000) 0.079 4.678 ( 0.000 -3.458 0.000) 3.458 4.678 ( 0.000 3.458 0.000) 3.458 4.819 ( 0.000 -3.860 0.000) 3.860 4.819 ( 0.000 3.860 0.000) 3.860 5.227 ( 0.000 -2.393 0.000) 2.393 5.227 ( 0.000 2.393 0.000) 2.393 5.351 ( 0.000 -9.619 0.000) 9.619 5.351 ( 0.000 9.619 0.000) 9.619 5.471 ( 0.000 -0.483 0.000) 0.483 5.471 ( 0.000 0.483 0.000) 0.483 5.531 ( 0.000 -0.311 0.000) 0.311 5.531 ( 0.000 0.311 0.000) 0.311 5.646 ( 0.000 -3.478 0.000) 3.478 5.646 ( 0.000 3.478 0.000) 3.478 5.985 ( 0.000 -2.502 0.000) 2.502 5.985 ( 0.000 2.502 0.000) 2.502 6.131 ( 0.000 -4.519 0.000) 4.519 6.131 ( 0.000 4.519 0.000) 4.519 6.467 ( 0.000 -0.819 0.000) 0.819 6.467 ( 0.000 0.819 0.000) 0.819 6.689 ( 0.000 -4.767 0.000) 4.767 6.689 ( 0.000 4.767 0.000) 4.767 7.472 ( 0.000 -0.388 0.000) 0.388 7.472 ( 0.000 0.388 0.000) 0.388 7.671 ( 0.000 -2.648 0.000) 2.648 7.671 ( 0.000 2.648 0.000) 2.648 7.758 ( 0.000 -0.627 0.000) 0.627 7.758 ( 0.000 0.627 0.000) 0.627 7.959 ( 0.000 -0.838 0.000) 0.838 7.959 ( 0.000 0.838 0.000) 0.838 9.750 ( 0.000 -4.595 0.000) 4.595 9.750 ( 0.000 4.595 0.000) 4.595 9.823 ( 0.000 -4.692 0.000) 4.692 9.823 ( 0.000 4.692 0.000) 4.692 10.114 ( 0.000 -4.482 0.000) 4.482 10.114 ( 0.000 4.482 0.000) 4.482 10.287 ( 0.000 -4.247 0.000) 4.247 10.287 ( 0.000 4.247 0.000) 4.247 11.421 ( 0.000 -0.061 0.000) 0.061 11.421 ( 0.000 0.061 0.000) 0.061 11.471 ( 0.000 -0.033 0.000) 0.033 11.471 ( 0.000 0.033 0.000) 0.033 12.192 ( 0.000 -4.211 0.000) 4.211 12.192 ( 0.000 4.211 0.000) 4.211 12.225 ( 0.000 -4.173 0.000) 4.173 12.225 ( 0.000 4.173 0.000) 4.173 13.986 ( 0.000 -9.199 0.000) 9.199 13.986 ( 0.000 9.199 0.000) 9.199 14.224 ( 0.000 -6.533 0.000) 6.533 14.224 ( 0.000 6.533 0.000) 6.533 14.375 ( 0.000 -8.439 0.000) 8.439 14.375 ( 0.000 8.439 0.000) 8.439 14.712 ( 0.000 -13.735 0.000) 13.735 14.712 ( 0.000 13.735 0.000) 13.735 16.088 ( 0.000 -2.255 0.000) 2.255 16.088 ( 0.000 2.255 0.000) 2.255 16.114 ( 0.000 -4.300 0.000) 4.300 16.114 ( 0.000 4.300 0.000) 4.300 16.278 ( 0.000 -8.837 0.000) 8.837 16.278 ( 0.000 8.837 0.000) 8.837 16.327 ( 0.000 -4.587 0.000) 4.587 16.327 ( 0.000 4.587 0.000) 4.587 20.211 ( 0.000 -5.321 0.000) 5.321 20.211 ( 0.000 5.321 0.000) 5.321 20.314 ( 0.000 -2.596 0.000) 2.596 20.314 ( 0.000 2.596 0.000) 2.596 21.805 ( 0.000 -8.863 0.000) 8.863 21.805 ( 0.000 8.863 0.000) 8.863 21.904 ( 0.000 -11.504 0.000) 11.504 21.904 ( 0.000 11.504 0.000) 11.504 26.822 ( 0.000 -26.415 0.000) 26.415 26.822 ( 0.000 26.415 0.000) 26.415 27.273 ( 0.000 -14.100 0.000) 14.100 27.273 ( 0.000 14.100 0.000) 14.100 30.055 ( 0.000 -2.283 0.000) 2.283 30.055 ( 0.000 2.283 0.000) 2.283 30.227 ( 0.000 -2.601 0.000) 2.601 30.227 ( 0.000 2.601 0.000) 2.601 31.220 ( 0.000 -4.426 0.000) 4.426 31.220 ( 0.000 4.426 0.000) 4.426 31.366 ( 0.000 -0.433 0.000) 0.433 31.366 ( 0.000 0.433 0.000) 0.433 32.894 ( 0.000 -6.798 0.000) 6.798 32.894 ( 0.000 6.798 0.000) 6.798 33.081 ( 0.000 -7.600 0.000) 7.600 33.081 ( 0.000 7.600 0.000) 7.600 36.432 ( 0.000 -1.826 0.000) 1.826 36.432 ( 0.000 1.826 0.000) 1.826 36.993 ( 0.000 -5.380 0.000) 5.380 36.993 ( 0.000 5.380 0.000) 5.380 37.074 ( 0.000 -1.631 0.000) 1.631 37.074 ( 0.000 1.631 0.000) 1.631 37.686 ( 0.000 -6.832 0.000) 6.832 37.686 ( 0.000 6.832 0.000) 6.832 ======================= Grid point 38 (22/90) ======================= q-point: ( 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 3.290 -10.778 1.565) 11.377 2.010 ( 3.290 10.778 1.565) 11.377 2.212 ( -2.040 -16.201 3.019) 16.606 2.212 ( -2.040 16.201 3.019) 16.606 2.294 ( 0.157 -7.493 -3.753) 8.382 2.294 ( 0.157 7.493 -3.753) 8.382 2.580 ( 1.571 -1.264 0.964) 2.235 2.580 ( 1.571 1.264 0.964) 2.235 2.868 ( 5.163 -4.185 3.513) 7.518 2.868 ( 5.163 4.185 3.513) 7.518 2.970 ( 0.676 -3.015 -4.046) 5.091 2.970 ( 0.676 3.015 -4.046) 5.091 3.271 ( 3.303 -5.523 1.200) 6.546 3.271 ( 3.303 5.523 1.200) 6.546 3.455 ( 11.509 -2.692 -0.149) 11.820 3.455 ( 11.509 2.692 -0.149) 11.820 3.917 ( -3.139 -5.363 -1.545) 6.403 3.917 ( -3.139 5.363 -1.545) 6.403 4.051 ( 0.773 -1.776 -4.310) 4.725 4.051 ( 0.773 1.776 -4.310) 4.725 4.242 ( 1.578 -2.750 3.135) 4.458 4.242 ( 1.578 2.750 3.135) 4.458 4.304 ( -0.614 -2.599 -0.179) 2.677 4.304 ( -0.614 2.599 -0.179) 2.677 4.597 ( 0.695 -2.393 0.859) 2.635 4.597 ( 0.695 2.393 0.859) 2.635 4.686 ( 1.329 -2.456 -0.611) 2.858 4.686 ( 1.329 2.456 -0.611) 2.858 4.836 ( -0.359 -2.891 4.255) 5.156 4.836 ( -0.359 2.891 4.255) 5.156 5.094 ( -8.067 -4.204 -4.445) 10.124 5.094 ( -8.067 4.204 -4.445) 10.124 5.343 ( 1.416 -4.226 -3.047) 5.399 5.343 ( 1.416 4.226 -3.047) 5.399 5.492 ( -0.879 -1.601 -0.173) 1.834 5.492 ( -0.879 1.601 -0.173) 1.834 5.602 ( 5.941 -0.701 2.292) 6.406 5.602 ( 5.941 0.701 2.292) 6.406 5.696 ( 3.666 -3.722 3.546) 6.314 5.696 ( 3.666 3.722 3.546) 6.314 5.994 ( 3.075 -1.947 -3.579) 5.104 5.994 ( 3.075 1.947 -3.579) 5.104 6.169 ( 3.111 -3.323 2.182) 5.048 6.169 ( 3.111 3.323 2.182) 5.048 6.471 ( 0.167 -1.449 0.491) 1.539 6.471 ( 0.167 1.449 0.491) 1.539 6.686 ( -0.689 -3.835 0.705) 3.959 6.686 ( -0.689 3.835 0.705) 3.959 7.468 ( -0.409 -1.081 -0.138) 1.164 7.468 ( -0.409 1.081 -0.138) 1.164 7.653 ( -2.057 -2.065 0.014) 2.915 7.653 ( -2.057 2.065 0.014) 2.915 7.769 ( 0.184 -2.468 1.356) 2.822 7.769 ( 0.184 2.468 1.356) 2.822 7.943 ( -0.782 -1.064 -2.139) 2.513 7.943 ( -0.782 1.064 -2.139) 2.513 9.703 ( -5.545 -4.623 -0.090) 7.220 9.703 ( -5.545 4.623 -0.090) 7.220 9.767 ( -6.334 -4.079 -0.384) 7.544 9.767 ( -6.334 4.079 -0.384) 7.544 10.120 ( 0.458 -4.419 0.423) 4.463 10.120 ( 0.458 4.419 0.423) 4.463 10.290 ( 0.409 -4.411 -0.438) 4.451 10.290 ( 0.409 4.411 -0.438) 4.451 11.416 ( 0.482 -0.681 -1.550) 1.760 11.416 ( 0.482 0.681 -1.550) 1.760 11.489 ( 0.936 -0.129 1.882) 2.106 11.489 ( 0.936 0.129 1.882) 2.106 12.157 ( -3.730 -3.928 -0.569) 5.447 12.157 ( -3.730 3.928 -0.569) 5.447 12.203 ( -2.577 -4.521 0.239) 5.209 12.203 ( -2.577 4.521 0.239) 5.209 13.991 ( -0.096 -10.040 1.023) 10.093 13.991 ( -0.096 10.040 1.023) 10.093 14.198 ( -0.726 -3.950 -3.234) 5.156 14.198 ( -0.726 3.950 -3.234) 5.156 14.377 ( -1.772 -6.780 2.658) 7.495 14.377 ( -1.772 6.780 2.658) 7.495 14.682 ( -1.895 -14.238 -2.105) 14.517 14.682 ( -1.895 14.238 -2.105) 14.517 16.091 ( 1.187 -2.619 -2.353) 3.716 16.091 ( 1.187 2.619 -2.353) 3.716 16.116 ( -0.167 -4.101 1.722) 4.451 16.116 ( -0.167 4.101 1.722) 4.451 16.268 ( -0.257 -6.387 -0.495) 6.411 16.268 ( -0.257 6.387 -0.495) 6.411 16.347 ( 0.370 -4.992 2.008) 5.393 16.347 ( 0.370 4.992 2.008) 5.393 20.214 ( 0.364 -4.100 0.140) 4.119 20.214 ( 0.364 4.100 0.140) 4.119 20.320 ( 0.551 -2.042 -0.099) 2.118 20.320 ( 0.551 2.042 -0.099) 2.118 21.819 ( 0.434 -2.167 1.249) 2.539 21.819 ( 0.434 2.167 1.249) 2.539 21.929 ( 3.628 -4.836 -0.660) 6.082 21.929 ( 3.628 4.836 -0.660) 6.082 26.820 ( -0.519 -24.907 0.336) 24.914 26.820 ( -0.519 24.907 0.336) 24.914 27.232 ( -3.748 -14.365 -1.431) 14.915 27.232 ( -3.748 14.365 -1.431) 14.915 30.084 ( 1.722 -2.998 1.551) 3.789 30.084 ( 1.722 2.998 1.551) 3.789 30.242 ( 2.653 -4.331 -0.529) 5.107 30.242 ( 2.653 4.331 -0.529) 5.107 31.242 ( 3.055 -4.255 -0.933) 5.321 31.242 ( 3.055 4.255 -0.933) 5.321 31.394 ( 2.452 -3.219 1.420) 4.289 31.394 ( 2.452 3.219 1.420) 4.289 32.885 ( -0.858 -5.975 -0.125) 6.038 32.885 ( -0.858 5.975 -0.125) 6.038 33.063 ( -2.332 -6.597 0.296) 7.003 33.063 ( -2.332 6.597 0.296) 7.003 36.437 ( 0.519 -1.575 0.145) 1.664 36.437 ( 0.519 1.575 0.145) 1.664 36.971 ( -3.475 -5.318 1.370) 6.499 36.971 ( -3.475 5.318 1.370) 6.499 37.049 ( -1.328 -1.095 -2.090) 2.707 37.049 ( -1.328 1.095 -2.090) 2.707 37.700 ( 1.580 -6.533 0.024) 6.721 37.700 ( 1.580 6.533 0.024) 6.721 ======================= Grid point 40 (23/90) ======================= q-point: ( 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.792 -8.738 0.020) 9.173 2.064 ( 2.792 8.738 0.020) 9.173 2.208 ( -2.720 -13.327 4.688) 14.387 2.208 ( -2.720 13.327 4.688) 14.387 2.347 ( 10.013 -8.755 -5.693) 14.468 2.347 ( 10.013 8.755 -5.693) 14.468 2.595 ( -0.945 -2.212 3.296) 4.080 2.595 ( -0.945 2.212 3.296) 4.080 2.877 ( -4.592 -1.428 1.536) 5.048 2.877 ( -4.592 1.428 1.536) 5.048 3.089 ( 11.505 -4.475 1.349) 12.419 3.089 ( 11.505 4.476 1.349) 12.419 3.350 ( 7.960 -6.237 -2.045) 10.317 3.350 ( 7.960 6.237 -2.045) 10.317 3.597 ( 3.454 -1.465 -3.645) 5.231 3.597 ( 3.454 1.465 -3.645) 5.231 3.835 ( -2.545 -4.650 -3.390) 6.292 3.835 ( -2.545 4.650 -3.390) 6.292 4.090 ( 5.036 -2.820 2.359) 6.235 4.090 ( 5.036 2.820 2.359) 6.235 4.220 ( -3.509 -3.961 -0.241) 5.297 4.220 ( -3.509 3.961 -0.241) 5.297 4.338 ( 1.907 -0.978 2.064) 2.975 4.338 ( 1.907 0.979 2.064) 2.975 4.608 ( -0.775 -3.732 -0.026) 3.812 4.608 ( -0.775 3.732 -0.026) 3.812 4.686 ( -0.131 -3.268 -0.511) 3.310 4.686 ( -0.131 3.268 -0.511) 3.310 4.816 ( -4.209 -7.087 -1.400) 8.360 4.816 ( -4.209 7.087 -1.400) 8.360 5.067 ( 6.983 -1.973 3.747) 8.167 5.067 ( 6.983 1.973 3.747) 8.167 5.355 ( 1.359 -4.088 -1.551) 4.579 5.355 ( 1.359 4.088 -1.551) 4.579 5.435 ( -2.595 -1.032 -2.927) 4.046 5.435 ( -2.595 1.032 -2.927) 4.046 5.694 ( 3.929 -3.820 -0.105) 5.481 5.694 ( 3.929 3.820 -0.105) 5.481 5.814 ( 3.347 -3.777 5.140) 7.203 5.814 ( 3.347 3.777 5.140) 7.203 6.014 ( 4.223 -2.141 -3.665) 5.988 6.014 ( 4.223 2.141 -3.665) 5.988 6.262 ( 6.065 -2.986 0.735) 6.800 6.262 ( 6.065 2.986 0.735) 6.800 6.480 ( -0.291 -3.153 1.404) 3.464 6.480 ( -0.291 3.153 1.404) 3.464 6.690 ( 0.094 -2.325 1.615) 2.832 6.690 ( 0.094 2.325 1.615) 2.832 7.460 ( -0.152 -1.579 -0.424) 1.642 7.460 ( -0.152 1.579 -0.424) 1.642 7.612 ( -2.652 -0.904 -0.061) 2.803 7.612 ( -2.652 0.904 -0.061) 2.803 7.783 ( -0.708 -3.454 1.958) 4.033 7.783 ( -0.708 3.454 1.958) 4.033 7.891 ( -2.182 -1.097 -3.282) 4.092 7.891 ( -2.182 1.097 -3.282) 4.092 9.579 ( -8.802 -4.777 0.034) 10.014 9.579 ( -8.802 4.777 0.034) 10.014 9.628 ( -9.243 -2.823 -0.679) 9.688 9.628 ( -9.243 2.823 -0.679) 9.688 10.134 ( 0.456 -4.826 0.471) 4.870 10.134 ( 0.456 4.826 0.471) 4.870 10.290 ( 0.344 -4.979 -0.658) 5.034 10.290 ( 0.344 4.979 -0.658) 5.034 11.410 ( 0.698 -1.160 -1.511) 2.028 11.410 ( 0.698 1.160 -1.511) 2.028 11.537 ( 2.137 -0.250 2.597) 3.372 11.537 ( 2.137 0.250 2.597) 3.372 12.073 ( -4.995 -4.187 -0.889) 6.578 12.073 ( -4.995 4.187 -0.889) 6.578 12.153 ( -3.598 -4.682 0.112) 5.906 12.153 ( -3.598 4.682 0.112) 5.906 13.998 ( -0.297 -12.085 0.967) 12.127 13.998 ( -0.297 12.085 0.967) 12.127 14.153 ( -1.007 -0.651 -2.449) 2.727 14.153 ( -1.007 0.651 -2.449) 2.727 14.354 ( -3.400 -6.620 1.059) 7.518 14.354 ( -3.400 6.620 1.059) 7.518 14.636 ( -0.866 -12.839 -1.498) 12.955 14.636 ( -0.866 12.839 -1.498) 12.955 16.077 ( 0.312 -0.867 -2.447) 2.614 16.077 ( 0.312 0.867 -2.447) 2.614 16.143 ( 0.751 -3.780 1.973) 4.330 16.143 ( 0.751 3.780 1.973) 4.330 16.268 ( 0.173 -4.462 0.427) 4.485 16.268 ( 0.173 4.462 0.427) 4.485 16.365 ( 0.005 -4.254 1.041) 4.380 16.365 ( 0.005 4.254 1.041) 4.380 20.227 ( 0.901 -1.604 0.358) 1.874 20.227 ( 0.901 1.604 0.358) 1.874 20.324 ( 0.177 -1.135 -0.342) 1.199 20.324 ( 0.177 1.135 -0.342) 1.199 21.832 ( 0.343 -8.506 0.160) 8.515 21.832 ( 0.343 8.506 0.160) 8.515 22.005 ( 5.111 -4.875 0.595) 7.088 22.005 ( 5.111 4.875 0.595) 7.088 26.811 ( -0.808 -21.745 0.016) 21.760 26.811 ( -0.808 21.745 0.016) 21.760 27.144 ( -4.673 -16.730 -1.186) 17.411 27.144 ( -4.673 16.730 -1.186) 17.411 30.107 ( 0.880 -4.145 -1.519) 4.502 30.107 ( 0.880 4.145 -1.519) 4.502 30.314 ( 4.627 -6.415 2.258) 8.226 30.314 ( 4.627 6.415 2.258) 8.226 31.291 ( 3.921 -2.673 -1.142) 4.881 31.291 ( 3.921 2.673 -1.142) 4.881 31.467 ( 4.068 -6.773 1.992) 8.148 31.467 ( 4.068 6.773 1.992) 8.148 32.867 ( -1.191 -3.602 -0.002) 3.794 32.867 ( -1.191 3.602 -0.002) 3.794 33.014 ( -3.721 -3.614 0.168) 5.190 33.014 ( -3.721 3.614 0.168) 5.190 36.448 ( 0.717 -1.033 -0.126) 1.264 36.448 ( 0.717 1.033 -0.126) 1.264 36.914 ( -5.848 -4.059 3.349) 7.866 36.914 ( -5.848 4.059 3.349) 7.866 37.004 ( -0.186 -0.370 -4.029) 4.050 37.004 ( -0.186 0.370 -4.029) 4.050 37.730 ( 1.740 -5.980 0.166) 6.230 37.730 ( 1.740 5.980 0.166) 6.230 ======================= Grid point 42 (24/90) ======================= q-point: ( 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 4.262 -5.179 -0.077) 6.708 2.124 ( 4.262 5.179 -0.077) 6.708 2.208 ( -1.832 -7.758 2.508) 8.357 2.208 ( -1.832 7.758 2.508) 8.357 2.441 ( 8.411 -7.662 -6.116) 12.917 2.441 ( 8.411 7.662 -6.116) 12.917 2.633 ( -1.337 -6.478 5.389) 8.532 2.633 ( -1.337 6.478 5.389) 8.532 2.824 ( -3.148 -7.912 2.095) 8.769 2.824 ( -3.148 7.912 2.095) 8.769 3.247 ( 5.798 -0.911 1.089) 5.969 3.247 ( 5.798 0.911 1.089) 5.969 3.458 ( 2.973 -6.917 -7.849) 10.876 3.458 ( 2.973 6.917 -7.849) 10.876 3.571 ( 4.756 -3.234 2.734) 6.368 3.571 ( 4.756 3.234 2.734) 6.368 3.779 ( -0.978 -4.562 -2.063) 5.101 3.779 ( -0.978 4.562 -2.063) 5.101 4.084 ( -6.305 -3.438 -3.017) 7.789 4.084 ( -6.305 3.438 -3.017) 7.789 4.234 ( 2.542 -3.573 1.397) 4.603 4.234 ( 2.542 3.573 1.397) 4.603 4.370 ( -1.662 -2.773 2.575) 4.133 4.370 ( -1.662 2.773 2.575) 4.133 4.589 ( -1.265 -0.818 -0.162) 1.515 4.589 ( -1.265 0.818 -0.162) 1.515 4.687 ( 3.814 -0.528 1.838) 4.266 4.687 ( 3.814 0.528 1.838) 4.266 4.830 ( 3.437 -3.163 2.757) 5.424 4.830 ( 3.437 3.163 2.757) 5.424 5.182 ( -2.423 -1.380 -4.422) 5.227 5.182 ( -2.423 1.380 -4.422) 5.227 5.296 ( 2.782 -3.044 -1.116) 4.272 5.296 ( 2.782 3.044 -1.116) 4.272 5.469 ( 3.662 -1.452 2.977) 4.937 5.469 ( 3.662 1.452 2.977) 4.937 5.731 ( 2.099 -3.111 -2.462) 4.489 5.731 ( 2.099 3.111 -2.462) 4.489 5.862 ( -1.246 -3.189 2.492) 4.235 5.862 ( -1.246 3.189 2.492) 4.235 6.068 ( 4.376 -3.440 -1.192) 5.693 6.068 ( 4.376 3.440 -1.192) 5.693 6.353 ( 4.240 -1.446 -1.341) 4.676 6.353 ( 4.240 1.446 -1.341) 4.676 6.501 ( 0.956 -3.789 2.530) 4.655 6.501 ( 0.956 3.789 2.530) 4.655 6.720 ( 1.114 -1.494 1.835) 2.616 6.720 ( 1.114 1.494 1.835) 2.616 7.451 ( -0.263 -1.691 -0.889) 1.928 7.451 ( -0.263 1.691 -0.889) 1.928 7.574 ( -1.687 -0.389 0.155) 1.738 7.574 ( -1.687 0.389 0.155) 1.738 7.776 ( -2.094 -3.412 0.812) 4.085 7.776 ( -2.094 3.412 0.812) 4.085 7.823 ( -1.882 -1.285 -2.003) 3.034 7.823 ( -1.882 1.285 -2.003) 3.034 9.446 ( -6.641 -5.569 0.128) 8.668 9.446 ( -6.641 5.569 0.128) 8.668 9.480 ( -7.087 -2.641 -0.572) 7.584 9.480 ( -7.087 2.641 -0.572) 7.584 10.142 ( 0.123 -5.427 0.217) 5.433 10.142 ( 0.123 5.427 0.217) 5.433 10.290 ( 0.271 -5.555 -0.423) 5.578 10.290 ( 0.271 5.555 -0.423) 5.578 11.408 ( 0.433 -1.220 -0.908) 1.581 11.408 ( 0.433 1.220 -0.908) 1.581 11.600 ( 2.231 -0.133 2.161) 3.109 11.600 ( 2.231 0.133 2.161) 3.109 11.996 ( -3.073 -4.447 -0.627) 5.442 11.996 ( -3.073 4.447 -0.627) 5.442 12.095 ( -2.957 -5.030 -0.265) 5.841 12.095 ( -2.957 5.030 -0.265) 5.841 14.004 ( 0.033 -16.094 0.761) 16.112 14.004 ( 0.033 16.094 0.761) 16.112 14.121 ( -0.743 -1.585 -1.077) 2.055 14.121 ( -0.743 1.585 -1.077) 2.055 14.298 ( -3.040 -9.201 -0.632) 9.711 14.298 ( -3.040 9.201 -0.632) 9.711 14.626 ( 0.255 -10.290 -0.148) 10.294 14.626 ( 0.255 10.290 -0.148) 10.294 16.058 ( -0.121 -3.707 -1.513) 4.005 16.058 ( -0.121 3.707 -1.513) 4.005 16.170 ( 0.403 -3.551 1.400) 3.839 16.170 ( 0.403 3.551 1.400) 3.839 16.278 ( 0.357 -6.653 0.538) 6.684 16.278 ( 0.357 6.653 0.538) 6.684 16.370 ( 0.015 -3.384 0.116) 3.386 16.370 ( 0.015 3.384 0.116) 3.386 20.247 ( 0.864 -2.458 0.355) 2.629 20.247 ( 0.864 2.458 0.355) 2.629 20.320 ( -0.211 -2.636 -0.360) 2.668 20.320 ( -0.211 2.636 -0.360) 2.668 21.837 ( 0.337 -12.437 -0.309) 12.446 21.837 ( 0.337 12.437 -0.309) 12.446 22.086 ( 3.336 -8.654 0.803) 9.310 22.086 ( 3.336 8.654 0.803) 9.310 26.795 ( -0.734 -22.636 -0.460) 22.653 26.795 ( -0.734 22.636 -0.460) 22.653 27.074 ( -2.840 -24.138 -0.165) 24.305 27.074 ( -2.840 24.138 -0.165) 24.305 30.096 ( 0.360 -3.874 -2.027) 4.387 30.096 ( 0.360 3.874 -2.027) 4.387 30.406 ( 3.183 -7.233 2.134) 8.186 30.406 ( 3.183 7.233 2.134) 8.186 31.337 ( 2.508 -1.310 -0.680) 2.910 31.337 ( 2.508 1.310 -0.680) 2.910 31.549 ( 3.350 -10.403 1.411) 11.020 31.549 ( 3.350 10.403 1.411) 11.020 32.851 ( -0.770 -1.874 0.203) 2.036 32.851 ( -0.770 1.874 0.203) 2.036 32.955 ( -3.069 -2.482 -0.158) 3.951 32.955 ( -3.069 2.482 -0.158) 3.951 36.455 ( 0.445 -1.090 -0.412) 1.247 36.455 ( 0.445 1.090 -0.412) 1.247 36.863 ( -4.113 -2.138 3.267) 5.671 36.863 ( -4.113 2.138 3.267) 5.671 36.967 ( 0.296 -0.430 -3.407) 3.446 36.967 ( 0.296 0.430 -3.407) 3.446 37.755 ( 1.002 -5.389 0.187) 5.485 37.755 ( 1.002 5.389 0.187) 5.485 ======================= Grid point 44 (25/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 -0.949 0.000) 0.949 2.167 ( 0.000 0.949 0.000) 0.949 2.203 ( 0.000 -4.283 0.000) 4.283 2.203 ( -0.000 4.283 0.000) 4.283 2.494 ( 0.000 -9.269 0.000) 9.269 2.494 ( 0.000 9.270 -0.000) 9.270 2.630 ( 0.000 -0.815 0.000) 0.815 2.630 ( -0.000 0.815 0.000) 0.815 2.818 ( 0.000 -8.714 -0.000) 8.714 2.818 ( 0.000 8.714 0.000) 8.714 3.301 ( 0.000 -0.482 0.000) 0.482 3.301 ( 0.000 0.482 0.000) 0.482 3.402 ( -0.000 -5.496 0.000) 5.496 3.402 ( 0.000 5.496 0.000) 5.496 3.695 ( 0.000 -2.187 0.000) 2.187 3.695 ( 0.000 2.187 -0.000) 2.187 3.762 ( -0.000 -4.850 0.000) 4.850 3.762 ( -0.000 4.850 0.000) 4.850 3.973 ( 0.000 -2.028 0.000) 2.028 3.973 ( 0.000 2.028 0.000) 2.028 4.256 ( 0.000 -0.276 0.000) 0.276 4.256 ( 0.000 0.276 0.000) 0.276 4.359 ( 0.000 -2.333 -0.000) 2.333 4.359 ( 0.000 2.333 -0.000) 2.333 4.570 ( 0.000 -2.429 0.000) 2.429 4.570 ( 0.000 2.429 0.000) 2.429 4.790 ( 0.000 -2.520 0.000) 2.520 4.790 ( 0.000 2.520 0.000) 2.520 4.900 ( -0.000 -1.884 -0.000) 1.884 4.900 ( 0.000 1.884 0.000) 1.884 5.049 ( 0.000 -0.239 -0.000) 0.239 5.049 ( 0.000 0.239 -0.000) 0.239 5.347 ( 0.000 -0.006 0.000) 0.006 5.347 ( 0.000 0.006 0.000) 0.006 5.525 ( 0.000 -0.295 0.000) 0.295 5.525 ( 0.000 0.295 0.000) 0.295 5.729 ( -0.000 -2.586 -0.000) 2.586 5.729 ( 0.000 2.586 0.000) 2.586 5.861 ( 0.000 -2.755 0.000) 2.755 5.861 ( 0.000 2.755 0.000) 2.755 6.101 ( 0.000 -2.595 -0.000) 2.595 6.101 ( 0.000 2.595 0.000) 2.595 6.375 ( 0.000 -0.424 0.000) 0.424 6.375 ( 0.000 0.424 0.000) 0.424 6.533 ( 0.000 -5.065 0.000) 5.065 6.533 ( 0.000 5.065 -0.000) 5.065 6.743 ( 0.000 -0.455 0.000) 0.455 6.743 ( 0.000 0.455 0.000) 0.455 7.441 ( 0.000 -0.808 0.000) 0.808 7.441 ( 0.000 0.808 0.000) 0.808 7.563 ( 0.000 -0.761 -0.000) 0.761 7.563 ( 0.000 0.761 0.000) 0.761 7.750 ( 0.000 -2.879 0.000) 2.879 7.750 ( 0.000 2.879 0.000) 2.879 7.803 ( 0.000 -2.588 -0.000) 2.588 7.803 ( 0.000 2.588 -0.000) 2.588 9.389 ( 0.000 -6.085 0.000) 6.085 9.389 ( 0.000 6.085 0.000) 6.085 9.415 ( 0.000 -2.816 0.000) 2.816 9.415 ( 0.000 2.816 0.000) 2.816 10.143 ( 0.000 -5.690 0.000) 5.690 10.143 ( 0.000 5.690 0.000) 5.690 10.290 ( 0.000 -5.783 0.000) 5.783 10.290 ( 0.000 5.783 0.000) 5.783 11.407 ( 0.000 -1.243 0.000) 1.243 11.407 ( 0.000 1.243 -0.000) 1.243 11.633 ( 0.000 -0.145 0.000) 0.145 11.633 ( 0.000 0.145 0.000) 0.145 11.968 ( 0.000 -4.459 0.000) 4.459 11.968 ( 0.000 4.459 0.000) 4.459 12.066 ( 0.000 -5.378 0.000) 5.378 12.066 ( 0.000 5.378 -0.000) 5.378 14.010 ( 0.000 -19.768 0.000) 19.768 14.010 ( 0.000 19.768 0.000) 19.768 14.109 ( 0.000 -1.555 -0.000) 1.555 14.109 ( 0.000 1.555 0.000) 1.555 14.266 ( 0.000 -11.952 -0.000) 11.952 14.266 ( 0.000 11.952 0.000) 11.952 14.629 ( 0.000 -9.385 -0.000) 9.385 14.629 ( 0.000 9.385 0.000) 9.385 16.049 ( 0.000 -4.770 0.000) 4.770 16.049 ( 0.000 4.770 0.000) 4.770 16.181 ( 0.000 -3.344 0.000) 3.344 16.181 ( 0.000 3.344 0.000) 3.344 16.285 ( 0.000 -7.811 -0.000) 7.811 16.285 ( 0.000 7.811 0.000) 7.811 16.371 ( 0.000 -3.096 0.000) 3.096 16.371 ( 0.000 3.096 -0.000) 3.096 20.257 ( 0.000 -4.919 0.000) 4.919 20.257 ( 0.000 4.919 0.000) 4.919 20.315 ( 0.000 -4.776 -0.000) 4.776 20.315 ( 0.000 4.776 0.000) 4.776 21.838 ( 0.000 -13.402 0.000) 13.402 21.838 ( 0.000 13.402 0.000) 13.402 22.119 ( 0.000 -9.632 0.000) 9.632 22.119 ( 0.000 9.632 0.000) 9.632 26.785 ( 0.000 -25.067 -0.000) 25.067 26.785 ( 0.000 25.067 0.000) 25.067 27.050 ( 0.000 -28.616 0.000) 28.616 27.050 ( 0.000 28.616 0.000) 28.616 30.088 ( 0.000 -3.730 0.000) 3.730 30.088 ( 0.000 3.730 0.000) 3.730 30.445 ( 0.000 -7.548 0.000) 7.548 30.445 ( 0.000 7.548 0.000) 7.548 31.355 ( 0.000 -1.981 0.000) 1.981 31.355 ( 0.000 1.981 0.000) 1.981 31.587 ( 0.000 -12.006 0.000) 12.006 31.587 ( 0.000 12.006 0.000) 12.006 32.846 ( 0.000 -5.026 0.000) 5.026 32.846 ( 0.000 5.026 -0.000) 5.026 32.926 ( 0.000 -6.380 0.000) 6.380 32.926 ( 0.000 6.380 -0.000) 6.380 36.456 ( 0.000 -1.369 0.000) 1.369 36.456 ( 0.000 1.369 -0.000) 1.369 36.846 ( -0.000 -0.529 0.000) 0.529 36.846 ( 0.000 0.529 0.000) 0.529 36.952 ( 0.000 -0.021 -0.000) 0.021 36.952 ( 0.000 0.021 0.000) 0.021 37.765 ( 0.000 -5.090 0.000) 5.090 37.765 ( 0.000 5.090 0.000) 5.090 ======================= Grid point 81 (26/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.397 0.000 27.301) 28.041 0.647 ( 5.360 0.000 29.248) 29.736 0.961 ( -5.401 0.000 41.973) 42.319 1.622 ( 3.377 0.000 -13.034) 13.464 1.866 ( -6.484 0.000 -24.852) 25.684 2.311 ( -1.380 0.000 2.922) 3.232 2.362 ( -11.548 0.000 -17.216) 20.731 2.662 ( -8.178 0.000 3.957) 9.085 2.701 ( 3.851 0.000 3.212) 5.015 2.771 ( 4.381 0.000 10.885) 11.734 2.969 ( 5.700 0.000 -8.870) 10.544 3.162 ( 7.720 0.000 -6.649) 10.188 3.272 ( 11.099 0.000 2.925) 11.478 3.352 ( 4.363 0.000 -0.900) 4.455 3.397 ( 0.970 0.000 0.316) 1.020 3.698 ( -0.114 0.000 8.122) 8.123 3.698 ( -4.433 0.000 -5.029) 6.704 3.831 ( -2.174 0.000 3.181) 3.853 3.965 ( 0.224 0.000 -0.802) 0.833 4.110 ( -2.660 0.000 -7.056) 7.541 4.230 ( -0.296 0.000 1.982) 2.004 4.298 ( 0.327 0.000 -0.675) 0.750 4.499 ( 1.735 0.000 2.714) 3.221 4.564 ( 1.458 0.000 0.324) 1.493 4.590 ( 1.440 0.000 0.491) 1.521 4.695 ( 3.425 0.000 -1.430) 3.711 4.696 ( -2.831 0.000 0.768) 2.934 4.800 ( -6.081 0.000 -2.602) 6.614 4.935 ( -3.472 0.000 -2.274) 4.150 5.011 ( 0.570 0.000 -0.957) 1.114 5.067 ( 0.366 0.000 -0.830) 0.907 5.135 ( -1.527 0.000 -1.757) 2.327 5.158 ( -1.826 0.000 1.830) 2.585 5.207 ( 1.096 0.000 1.268) 1.676 5.267 ( 4.930 0.000 0.317) 4.940 5.290 ( -3.952 0.000 -2.115) 4.482 5.573 ( 5.819 0.000 -4.338) 7.258 5.610 ( -3.616 0.000 -1.600) 3.954 5.788 ( -11.779 0.000 -7.657) 14.049 5.804 ( 3.051 0.000 -4.738) 5.635 5.995 ( -2.753 0.000 6.690) 7.234 6.127 ( -1.697 0.000 6.745) 6.955 6.145 ( 9.140 0.000 2.777) 9.553 6.239 ( 5.047 0.000 3.163) 5.957 6.309 ( -0.414 0.000 -0.051) 0.417 6.317 ( -2.747 0.000 1.429) 3.096 6.490 ( -4.390 0.000 8.706) 9.750 6.731 ( -1.650 0.000 -0.733) 1.805 7.419 ( 0.128 0.000 1.288) 1.294 7.476 ( 1.152 0.000 -0.644) 1.320 7.663 ( -3.331 0.000 -0.232) 3.339 7.669 ( -0.059 0.000 -1.844) 1.845 7.686 ( 1.760 0.000 -0.660) 1.879 7.733 ( -1.554 0.000 -0.923) 1.807 7.866 ( -4.837 0.000 1.298) 5.008 7.930 ( 6.343 0.000 -1.197) 6.454 9.554 ( 1.203 0.000 1.213) 1.708 9.634 ( -1.333 0.000 -1.363) 1.906 9.899 ( 3.069 0.000 -1.203) 3.296 9.916 ( -0.876 0.000 -0.495) 1.006 10.038 ( 0.833 0.000 -1.212) 1.471 10.067 ( -0.607 0.000 -1.284) 1.420 10.412 ( -1.401 0.000 3.562) 3.827 10.542 ( 2.294 0.000 -1.028) 2.514 11.448 ( -1.213 0.000 0.883) 1.501 11.476 ( 0.915 0.000 1.803) 2.022 11.499 ( 0.609 0.000 -0.673) 0.908 11.547 ( -0.177 0.000 -0.985) 1.001 11.942 ( -0.226 0.000 0.229) 0.322 11.985 ( 0.195 0.000 -1.266) 1.281 12.408 ( -0.018 0.000 1.147) 1.148 12.450 ( -0.556 0.000 -0.329) 0.646 12.993 ( 1.801 0.000 2.963) 3.467 13.157 ( -2.402 0.000 -2.951) 3.805 14.079 ( 1.301 0.000 1.554) 2.027 14.238 ( -4.371 0.000 -5.198) 6.791 14.646 ( 6.342 0.000 7.852) 10.093 14.918 ( -1.577 0.000 -2.677) 3.107 15.195 ( -1.004 0.000 1.333) 1.669 15.282 ( 3.843 0.000 -1.495) 4.123 15.879 ( -0.923 0.000 1.048) 1.397 16.022 ( 0.318 0.000 -3.729) 3.743 16.073 ( -9.651 0.000 2.545) 9.981 16.182 ( 2.383 0.000 -1.702) 2.929 16.531 ( -1.343 0.000 0.113) 1.348 16.539 ( 1.646 0.000 -0.204) 1.658 16.725 ( -1.703 0.000 0.910) 1.931 16.773 ( 7.670 0.000 -0.861) 7.718 19.760 ( -1.730 0.000 0.193) 1.741 19.767 ( 1.682 0.000 -0.052) 1.682 20.643 ( -3.068 0.000 0.509) 3.110 20.675 ( 0.721 0.000 -0.583) 0.927 21.011 ( 7.481 0.000 -0.190) 7.483 21.021 ( -2.615 0.000 -0.703) 2.708 22.299 ( 1.423 0.000 3.304) 3.597 22.457 ( -1.325 0.000 -2.403) 2.744 25.405 ( -0.602 0.000 0.042) 0.603 25.406 ( 0.600 0.000 0.027) 0.601 28.850 ( 12.958 0.000 3.420) 13.402 29.029 ( -5.905 0.000 -2.817) 6.542 30.037 ( -1.485 0.000 0.214) 1.501 30.060 ( 3.422 0.000 -1.159) 3.613 30.171 ( 2.723 0.000 3.651) 4.554 30.381 ( -7.273 0.000 -4.486) 8.546 31.210 ( -0.657 0.000 3.775) 3.832 31.375 ( 0.952 0.000 -2.288) 2.478 31.984 ( -0.879 0.000 0.687) 1.115 32.019 ( 0.957 0.000 -0.556) 1.106 32.356 ( 1.287 0.000 0.652) 1.443 32.403 ( -4.490 0.000 -1.015) 4.603 33.065 ( -0.826 0.000 0.196) 0.849 33.069 ( 0.891 0.000 0.055) 0.892 36.571 ( -0.420 0.000 0.217) 0.473 36.610 ( -0.426 0.000 -1.719) 1.771 36.746 ( -0.318 0.000 4.083) 4.096 36.830 ( 0.088 0.000 1.001) 1.005 36.995 ( -1.990 0.000 -1.165) 2.306 37.063 ( 1.179 0.000 -4.550) 4.700 37.529 ( 0.647 0.000 3.005) 3.073 37.628 ( -1.409 0.000 -0.986) 1.720 ======================= Grid point 82 (27/90) ======================= q-point: ( 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 3.352 0.000 19.850) 20.131 0.921 ( -1.641 0.000 23.877) 23.933 1.425 ( 7.495 0.000 13.809) 15.712 1.657 ( 8.084 0.000 -20.215) 21.771 1.918 ( 43.192 0.000 7.147) 43.779 2.101 ( 1.775 0.000 -12.027) 12.157 2.285 ( -10.729 0.000 7.727) 13.222 2.588 ( -1.978 0.000 5.184) 5.549 2.743 ( 4.216 0.000 -8.039) 9.077 2.912 ( 2.502 0.000 -11.800) 12.062 2.926 ( 3.259 0.000 6.315) 7.107 3.255 ( 2.040 0.000 -0.793) 2.189 3.291 ( 7.599 0.000 -8.664) 11.524 3.378 ( -4.375 0.000 0.413) 4.394 3.434 ( -12.603 0.000 -10.623) 16.483 3.598 ( 6.086 0.000 5.759) 8.378 3.823 ( 4.258 0.000 8.049) 9.106 3.869 ( 1.901 0.000 3.610) 4.080 3.960 ( 0.204 0.000 -0.373) 0.425 4.032 ( 3.106 0.000 -8.645) 9.186 4.250 ( 0.879 0.000 1.785) 1.990 4.264 ( -3.239 0.000 -0.357) 3.259 4.459 ( -5.226 0.000 -3.074) 6.063 4.460 ( -4.859 0.000 0.914) 4.944 4.628 ( -2.855 0.000 3.274) 4.344 4.669 ( 4.654 0.000 1.393) 4.858 4.785 ( -1.028 0.000 -5.900) 5.989 4.837 ( 12.314 0.000 3.720) 12.863 4.953 ( -6.731 0.000 0.914) 6.793 4.963 ( 7.197 0.000 2.098) 7.496 5.070 ( -2.187 0.000 2.174) 3.084 5.123 ( -3.508 0.000 -0.499) 3.543 5.194 ( 4.069 0.000 -1.522) 4.345 5.199 ( 4.250 0.000 -4.521) 6.205 5.284 ( 1.560 0.000 -2.391) 2.854 5.356 ( 0.699 0.000 0.501) 0.860 5.501 ( 4.237 0.000 0.208) 4.242 5.720 ( 10.725 0.000 -1.278) 10.801 5.762 ( 6.977 0.000 -4.341) 8.217 5.815 ( 6.478 0.000 -1.399) 6.627 6.009 ( -3.800 0.000 6.449) 7.485 6.149 ( -2.709 0.000 3.319) 4.284 6.218 ( -0.111 0.000 -5.972) 5.973 6.292 ( 2.409 0.000 0.805) 2.540 6.295 ( -0.634 0.000 1.720) 1.833 6.354 ( 2.766 0.000 3.440) 4.414 6.472 ( -7.676 0.000 6.952) 10.356 6.717 ( -1.737 0.000 0.956) 1.983 7.429 ( -1.113 0.000 1.097) 1.563 7.482 ( 0.327 0.000 -1.601) 1.634 7.590 ( -5.428 0.000 0.452) 5.446 7.593 ( -4.604 0.000 -2.286) 5.140 7.706 ( 1.555 0.000 0.603) 1.668 7.708 ( -2.814 0.000 0.487) 2.856 7.804 ( -1.575 0.000 -0.542) 1.666 7.990 ( 0.647 0.000 0.864) 1.079 9.570 ( -4.172 0.000 -2.368) 4.797 9.572 ( -1.092 0.000 2.230) 2.483 9.872 ( -3.263 0.000 -0.812) 3.363 9.896 ( -1.563 0.000 -0.346) 1.601 10.009 ( -3.399 0.000 -2.233) 4.067 10.009 ( -3.500 0.000 -0.802) 3.590 10.436 ( 0.129 0.000 2.512) 2.515 10.568 ( 1.991 0.000 -1.692) 2.613 11.437 ( -1.528 0.000 1.370) 2.052 11.498 ( 0.023 0.000 -0.940) 0.941 11.507 ( 0.931 0.000 1.575) 1.830 11.537 ( 0.663 0.000 -1.325) 1.482 11.905 ( -4.517 0.000 0.482) 4.543 11.947 ( -2.990 0.000 -1.120) 3.193 12.408 ( -1.578 0.000 1.283) 2.034 12.427 ( -1.177 0.000 -0.746) 1.394 13.076 ( 3.543 0.000 4.565) 5.779 13.084 ( -2.057 0.000 -3.933) 4.439 14.143 ( 3.349 0.000 4.202) 5.373 14.158 ( -0.227 0.000 -5.045) 5.050 14.734 ( -4.805 0.000 9.260) 10.432 14.809 ( -5.332 0.000 -7.773) 9.426 15.169 ( -4.213 0.000 1.559) 4.492 15.287 ( 1.021 0.000 -2.993) 3.162 15.899 ( 0.167 0.000 1.821) 1.829 16.008 ( 2.775 0.000 -2.720) 3.886 16.034 ( -0.481 0.000 3.113) 3.150 16.226 ( 3.961 0.000 -0.552) 3.999 16.513 ( -0.481 0.000 -0.407) 0.630 16.581 ( 3.127 0.000 0.180) 3.132 16.682 ( -3.548 0.000 -0.652) 3.607 16.787 ( -1.874 0.000 -0.653) 1.984 19.738 ( -0.663 0.000 -0.283) 0.721 19.814 ( 3.503 0.000 0.429) 3.529 20.606 ( -2.770 0.000 1.325) 3.070 20.679 ( 0.360 0.000 -0.581) 0.683 20.940 ( -5.143 0.000 -1.692) 5.414 21.056 ( 0.025 0.000 -0.362) 0.363 22.391 ( 4.135 0.000 4.316) 5.977 22.467 ( 6.150 0.000 -4.201) 7.448 25.386 ( -1.561 0.000 -0.145) 1.568 25.411 ( -0.059 0.000 0.212) 0.220 28.901 ( -4.044 0.000 -6.926) 8.020 29.010 ( 3.091 0.000 5.985) 6.736 30.013 ( -0.286 0.000 -2.412) 2.429 30.097 ( 2.758 0.000 -0.750) 2.858 30.249 ( -2.470 0.000 -4.188) 4.862 30.252 ( 0.340 0.000 6.779) 6.787 31.190 ( -6.447 0.000 5.144) 8.247 31.385 ( 3.925 0.000 -3.144) 5.029 32.001 ( 1.640 0.000 0.288) 1.665 32.055 ( 2.496 0.000 1.011) 2.693 32.365 ( -1.811 0.000 2.288) 2.918 32.368 ( 1.442 0.000 -4.050) 4.299 33.045 ( -1.627 0.000 -0.115) 1.631 33.083 ( 0.525 0.000 0.215) 0.567 36.579 ( 0.966 0.000 0.917) 1.332 36.633 ( 3.783 0.000 -2.551) 4.563 36.791 ( 0.154 0.000 4.521) 4.524 36.834 ( -0.269 0.000 -0.980) 1.017 36.955 ( -0.861 0.000 -1.957) 2.138 37.058 ( 2.714 0.000 -2.119) 3.443 37.553 ( -1.400 0.000 2.646) 2.993 37.560 ( -5.155 0.000 0.491) 5.178 ======================= Grid point 83 (28/90) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.210 0.000 11.358) 11.572 1.173 ( 18.984 0.000 12.110) 22.518 1.626 ( 4.700 0.000 -9.457) 10.561 1.642 ( 5.159 0.000 13.470) 14.424 2.087 ( -13.568 0.000 1.668) 13.670 2.198 ( 11.945 0.000 0.994) 11.987 2.637 ( 4.363 0.000 1.756) 4.704 2.694 ( 0.996 0.000 -9.717) 9.768 2.825 ( 35.911 0.000 16.921) 39.698 2.893 ( 14.516 0.000 -16.623) 22.069 2.959 ( -5.418 0.000 -1.474) 5.614 3.155 ( -2.454 0.000 -1.413) 2.832 3.170 ( -1.338 0.000 -7.225) 7.348 3.311 ( -6.243 0.000 -0.050) 6.243 3.457 ( 13.921 0.000 -4.272) 14.562 3.572 ( -9.878 0.000 -1.833) 10.047 3.912 ( -0.413 0.000 -0.373) 0.556 3.934 ( 2.422 0.000 0.731) 2.530 3.964 ( 0.785 0.000 4.866) 4.929 4.030 ( 6.166 0.000 -7.733) 9.890 4.271 ( 1.821 0.000 2.004) 2.708 4.314 ( 5.305 0.000 1.976) 5.661 4.376 ( -0.863 0.000 -4.876) 4.952 4.408 ( -3.260 0.000 1.959) 3.804 4.656 ( 0.383 0.000 4.129) 4.146 4.689 ( -4.635 0.000 1.165) 4.779 4.728 ( 1.947 0.000 -5.164) 5.519 4.897 ( 0.596 0.000 3.492) 3.542 4.955 ( -9.238 0.000 -2.150) 9.485 5.040 ( 4.061 0.000 0.882) 4.156 5.122 ( 2.603 0.000 2.148) 3.375 5.128 ( 4.095 0.000 2.777) 4.947 5.204 ( 4.704 0.000 -3.304) 5.749 5.230 ( 7.014 0.000 1.819) 7.246 5.348 ( 4.079 0.000 1.592) 4.378 5.410 ( 2.953 0.000 2.810) 4.076 5.628 ( 6.214 0.000 -0.053) 6.214 5.741 ( 2.975 0.000 -6.240) 6.913 5.818 ( 5.114 0.000 -7.628) 9.184 5.920 ( -6.067 0.000 0.529) 6.090 6.099 ( 0.165 0.000 1.871) 1.879 6.101 ( -3.973 0.000 -6.185) 7.351 6.139 ( 10.384 0.000 6.144) 12.065 6.318 ( 0.090 0.000 -0.039) 0.098 6.335 ( 0.356 0.000 0.494) 0.609 6.392 ( -7.304 0.000 8.262) 11.028 6.431 ( 3.473 0.000 2.018) 4.017 6.689 ( -1.856 0.000 -1.343) 2.291 7.407 ( -2.317 0.000 2.314) 3.275 7.442 ( -2.818 0.000 -2.082) 3.504 7.506 ( -5.845 0.000 1.914) 6.150 7.533 ( -1.114 0.000 -0.467) 1.208 7.640 ( -5.579 0.000 0.825) 5.639 7.762 ( 3.663 0.000 1.745) 4.057 7.807 ( 0.864 0.000 0.508) 1.002 7.974 ( -3.125 0.000 1.034) 3.292 9.463 ( -5.679 0.000 -2.068) 6.044 9.560 ( -3.017 0.000 2.082) 3.666 9.806 ( -4.253 0.000 0.427) 4.274 9.871 ( -1.874 0.000 1.553) 2.434 9.914 ( -5.715 0.000 -1.847) 6.006 9.928 ( -3.234 0.000 -2.469) 4.069 10.454 ( -0.348 0.000 1.188) 1.238 10.562 ( 0.189 0.000 -3.108) 3.113 11.425 ( -1.586 0.000 1.379) 2.102 11.482 ( 0.118 0.000 -1.942) 1.946 11.542 ( 1.198 0.000 -1.445) 1.877 11.542 ( 1.640 0.000 1.218) 2.042 11.821 ( -6.129 0.000 1.433) 6.294 11.874 ( -4.191 0.000 -1.376) 4.411 12.384 ( -2.366 0.000 0.853) 2.515 12.402 ( -0.815 0.000 -0.896) 1.212 13.024 ( -0.919 0.000 -2.837) 2.982 13.180 ( 3.370 0.000 3.752) 5.043 14.121 ( 1.333 0.000 -4.028) 4.243 14.277 ( 5.640 0.000 7.807) 9.631 14.611 ( -6.257 0.000 -10.981) 12.638 14.707 ( -8.307 0.000 8.073) 11.584 15.088 ( -6.287 0.000 -0.035) 6.287 15.271 ( 0.495 0.000 -2.783) 2.827 15.915 ( -0.769 0.000 2.626) 2.737 16.065 ( 5.212 0.000 -0.390) 5.227 16.070 ( 1.022 0.000 2.138) 2.369 16.286 ( 2.944 0.000 0.732) 3.034 16.513 ( 0.808 0.000 0.216) 0.836 16.607 ( -3.209 0.000 -2.621) 4.143 16.635 ( 3.306 0.000 -0.295) 3.319 16.746 ( -2.423 0.000 0.070) 2.424 19.736 ( 0.465 0.000 0.226) 0.517 19.877 ( 3.686 0.000 -0.177) 3.691 20.578 ( -2.319 0.000 1.646) 2.844 20.672 ( -0.405 0.000 -0.665) 0.779 20.847 ( -3.877 0.000 -1.022) 4.010 21.036 ( -1.657 0.000 -0.240) 1.674 22.483 ( 2.201 0.000 2.571) 3.384 22.546 ( 8.312 0.000 -5.023) 9.712 25.357 ( -1.775 0.000 0.015) 1.775 25.408 ( -0.514 0.000 0.008) 0.514 28.775 ( -1.954 0.000 -6.620) 6.902 29.112 ( -0.512 0.000 10.606) 10.619 29.968 ( 1.593 0.000 -9.110) 9.249 30.136 ( 2.902 0.000 -1.259) 3.164 30.206 ( 1.055 0.000 -2.865) 3.053 30.305 ( -1.728 0.000 5.550) 5.812 31.134 ( -7.026 0.000 6.798) 9.776 31.450 ( 7.634 0.000 -3.002) 8.203 32.010 ( -0.713 0.000 -1.226) 1.418 32.093 ( -0.626 0.000 2.619) 2.693 32.356 ( -2.768 0.000 4.249) 5.071 32.363 ( 4.172 0.000 -5.824) 7.164 33.015 ( -1.814 0.000 0.048) 1.814 33.089 ( 0.081 0.000 -0.112) 0.138 36.620 ( 1.775 0.000 2.215) 2.838 36.661 ( 2.890 0.000 -3.058) 4.208 36.803 ( -0.987 0.000 -2.224) 2.433 36.838 ( -0.190 0.000 5.305) 5.309 36.933 ( 0.360 0.000 -1.596) 1.636 37.103 ( 3.508 0.000 -0.322) 3.523 37.480 ( -4.839 0.000 0.075) 4.839 37.535 ( -2.770 0.000 0.849) 2.898 ======================= Grid point 84 (29/90) ======================= q-point: ( 0.38 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 4.849 0.000 8.297) 9.610 1.491 ( 8.708 0.000 -8.293) 12.025 1.715 ( 8.165 0.000 14.440) 16.589 1.752 ( -18.212 0.000 20.960) 27.767 1.977 ( 5.946 0.000 -3.204) 6.754 2.367 ( 7.021 0.000 0.156) 7.022 2.591 ( -3.783 0.000 -6.608) 7.614 2.615 ( -1.412 0.000 -4.997) 5.193 2.813 ( -4.240 0.000 -3.718) 5.639 3.061 ( 4.272 0.000 -0.486) 4.299 3.122 ( 21.203 0.000 -18.732) 28.292 3.168 ( 3.850 0.000 6.848) 7.856 3.193 ( -8.193 0.000 0.723) 8.225 3.340 ( -8.545 0.000 -6.943) 11.010 3.513 ( 16.911 0.000 9.277) 19.288 3.631 ( 10.715 0.000 -3.818) 11.375 3.922 ( 1.778 0.000 0.802) 1.951 3.983 ( 4.724 0.000 -0.992) 4.827 4.015 ( -0.287 0.000 3.352) 3.364 4.069 ( 7.539 0.000 -6.965) 10.264 4.265 ( -3.798 0.000 1.659) 4.144 4.340 ( 1.631 0.000 -3.952) 4.275 4.369 ( -4.680 0.000 2.078) 5.120 4.462 ( 9.059 0.000 2.598) 9.424 4.638 ( -3.615 0.000 3.756) 5.214 4.663 ( 0.714 0.000 -1.687) 1.832 4.756 ( -5.216 0.000 -1.282) 5.371 4.829 ( 1.654 0.000 4.129) 4.448 4.980 ( 3.905 0.000 0.779) 3.982 5.002 ( -2.447 0.000 -2.640) 3.600 5.180 ( 1.311 0.000 1.496) 1.989 5.183 ( 2.045 0.000 3.859) 4.367 5.307 ( 8.225 0.000 0.034) 8.225 5.335 ( -3.277 0.000 -1.997) 3.837 5.436 ( 6.175 0.000 3.915) 7.311 5.464 ( 1.089 0.000 0.239) 1.115 5.626 ( -6.199 0.000 -3.610) 7.174 5.737 ( 0.602 0.000 -6.482) 6.510 5.758 ( 0.570 0.000 -5.453) 5.483 5.801 ( -2.518 0.000 -0.726) 2.620 6.075 ( 5.172 0.000 -2.058) 5.566 6.086 ( -0.185 0.000 1.876) 1.885 6.266 ( -1.123 0.000 -3.010) 3.213 6.304 ( -1.176 0.000 -0.279) 1.209 6.381 ( 6.609 0.000 4.494) 7.992 6.425 ( -5.331 0.000 9.376) 10.786 6.512 ( 4.640 0.000 0.849) 4.717 6.611 ( -3.931 0.000 -5.062) 6.409 7.374 ( -3.292 0.000 -0.112) 3.294 7.411 ( -1.616 0.000 3.381) 3.748 7.440 ( -4.667 0.000 2.356) 5.228 7.531 ( -1.389 0.000 1.799) 2.273 7.560 ( -3.566 0.000 1.264) 3.783 7.825 ( 0.381 0.000 1.039) 1.107 7.840 ( 3.349 0.000 1.174) 3.549 7.925 ( -2.840 0.000 -0.736) 2.934 9.367 ( -3.598 0.000 -0.486) 3.631 9.515 ( -3.692 0.000 0.287) 3.703 9.740 ( -4.915 0.000 1.280) 5.079 9.835 ( -1.265 0.000 -0.223) 1.284 9.846 ( -1.869 0.000 -1.782) 2.582 9.886 ( -0.789 0.000 2.055) 2.201 10.447 ( -1.082 0.000 -0.075) 1.084 10.528 ( 0.440 0.000 -3.852) 3.877 11.413 ( -1.273 0.000 1.003) 1.621 11.472 ( 1.392 0.000 -2.598) 2.948 11.547 ( 1.215 0.000 -0.876) 1.498 11.579 ( 1.402 0.000 0.572) 1.514 11.750 ( -4.845 0.000 2.424) 5.417 11.797 ( -2.994 0.000 -1.220) 3.233 12.357 ( -1.730 0.000 0.720) 1.873 12.386 ( -0.045 0.000 -0.596) 0.598 13.004 ( 0.728 0.000 -0.655) 0.979 13.233 ( 0.460 0.000 -0.298) 0.548 14.127 ( 3.213 0.000 -2.127) 3.853 14.364 ( -2.656 0.000 -7.459) 7.918 14.531 ( 4.809 0.000 9.604) 10.741 14.633 ( -8.794 0.000 5.760) 10.512 14.980 ( -4.698 0.000 -2.775) 5.456 15.250 ( 0.429 0.000 -3.100) 3.130 15.928 ( -0.966 0.000 3.106) 3.253 16.106 ( 0.436 0.000 3.077) 3.107 16.130 ( 2.865 0.000 -1.494) 3.231 16.331 ( 0.544 0.000 2.314) 2.377 16.541 ( 1.083 0.000 1.361) 1.739 16.547 ( -0.009 0.000 -2.654) 2.654 16.674 ( 2.188 0.000 -1.279) 2.534 16.710 ( -1.768 0.000 -0.658) 1.886 19.755 ( 0.750 0.000 1.291) 1.493 19.919 ( 2.223 0.000 -1.514) 2.689 20.567 ( -1.491 0.000 2.451) 2.869 20.663 ( -0.255 0.000 0.530) 0.588 20.801 ( -1.415 0.000 0.161) 1.424 21.003 ( -1.377 0.000 -1.207) 1.831 22.509 ( 0.031 0.000 -0.343) 0.344 22.618 ( 6.385 0.000 -5.546) 8.457 25.334 ( -1.113 0.000 0.404) 1.185 25.396 ( -0.537 0.000 -0.526) 0.752 28.748 ( 2.699 0.000 1.052) 2.897 29.185 ( -5.391 0.000 12.658) 13.758 29.902 ( 5.631 0.000 -14.858) 15.890 30.152 ( 1.312 0.000 -3.659) 3.887 30.213 ( 1.522 0.000 -0.745) 1.694 30.296 ( -2.774 0.000 0.562) 2.830 31.108 ( -5.364 0.000 8.829) 10.330 31.548 ( 6.828 0.000 -3.595) 7.717 31.967 ( -1.630 0.000 -1.083) 1.957 32.082 ( -2.885 0.000 1.526) 3.264 32.352 ( -3.337 0.000 4.147) 5.323 32.393 ( 5.447 0.000 -4.393) 6.998 32.993 ( -1.109 0.000 0.749) 1.338 33.084 ( -0.103 0.000 -0.634) 0.642 36.654 ( -0.147 0.000 0.445) 0.468 36.666 ( 1.743 0.000 -3.375) 3.798 36.788 ( 0.597 0.000 1.240) 1.376 36.889 ( -1.483 0.000 6.915) 7.072 36.937 ( 2.107 0.000 -0.998) 2.331 37.147 ( 2.241 0.000 -0.972) 2.443 37.406 ( -3.503 0.000 -0.954) 3.631 37.486 ( -2.432 0.000 -1.551) 2.884 ======================= Grid point 85 (30/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 6.403 0.000 7.574) 9.918 1.430 ( -5.361 0.000 -5.690) 7.818 1.556 ( -24.046 0.000 15.172) 28.433 1.949 ( 1.057 0.000 12.969) 13.012 2.100 ( 5.044 0.000 4.932) 7.055 2.343 ( -4.330 0.000 -11.057) 11.875 2.561 ( 3.723 0.000 -5.774) 6.870 2.576 ( 7.676 0.000 1.981) 7.927 2.776 ( -0.663 0.000 -2.391) 2.481 3.018 ( 2.126 0.000 -8.697) 8.953 3.052 ( -7.220 0.000 0.774) 7.262 3.209 ( 1.087 0.000 -5.148) 5.262 3.274 ( 0.780 0.000 5.167) 5.225 3.415 ( 19.386 0.000 -5.944) 20.276 3.611 ( -8.861 0.000 1.777) 9.037 3.708 ( 3.199 0.000 -4.110) 5.209 3.925 ( -5.896 0.000 4.425) 7.372 4.017 ( -2.083 0.000 -0.387) 2.118 4.029 ( 0.830 0.000 -1.269) 1.517 4.138 ( 7.194 0.000 -5.718) 9.189 4.281 ( -6.463 0.000 -0.000) 6.463 4.290 ( 4.776 0.000 5.251) 7.098 4.366 ( 5.940 0.000 -1.513) 6.129 4.559 ( -9.078 0.000 -2.179) 9.335 4.596 ( -6.163 0.000 1.967) 6.469 4.659 ( 9.022 0.000 1.395) 9.129 4.674 ( -1.073 0.000 -1.039) 1.493 4.901 ( -2.733 0.000 -5.926) 6.525 4.924 ( 0.614 0.000 7.250) 7.276 5.077 ( 2.902 0.000 2.577) 3.881 5.210 ( -0.881 0.000 1.479) 1.722 5.232 ( -0.890 0.000 -0.444) 0.995 5.239 ( -3.405 0.000 2.279) 4.097 5.397 ( -3.284 0.000 -0.681) 3.354 5.464 ( -5.260 0.000 0.319) 5.270 5.470 ( 0.216 0.000 0.106) 0.240 5.556 ( 7.456 0.000 -1.322) 7.572 5.674 ( 3.248 0.000 -6.882) 7.610 5.768 ( 6.343 0.000 -2.192) 6.711 5.823 ( 3.174 0.000 -2.157) 3.838 6.115 ( -1.894 0.000 4.621) 4.994 6.155 ( 4.016 0.000 0.232) 4.022 6.243 ( 2.276 0.000 -3.379) 4.074 6.283 ( -1.443 0.000 0.206) 1.458 6.356 ( -11.375 0.000 5.327) 12.561 6.445 ( -2.148 0.000 2.034) 2.958 6.489 ( -3.193 0.000 -4.230) 5.300 6.584 ( 3.620 0.000 -1.283) 3.840 7.352 ( 0.453 0.000 0.724) 0.855 7.398 ( -1.839 0.000 0.638) 1.946 7.416 ( -0.911 0.000 3.015) 3.150 7.497 ( -0.715 0.000 0.403) 0.821 7.603 ( 1.375 0.000 5.940) 6.097 7.839 ( -0.165 0.000 1.391) 1.401 7.854 ( -3.559 0.000 -1.772) 3.976 7.884 ( 0.755 0.000 -1.172) 1.394 9.358 ( 2.046 0.000 1.599) 2.597 9.456 ( -2.130 0.000 -1.953) 2.889 9.705 ( -0.441 0.000 1.748) 1.803 9.809 ( 0.049 0.000 -1.768) 1.769 9.859 ( 1.978 0.000 2.425) 3.130 9.908 ( 0.674 0.000 1.782) 1.905 10.421 ( -1.280 0.000 -1.080) 1.675 10.513 ( 2.238 0.000 -3.565) 4.209 11.404 ( -0.702 0.000 0.615) 0.933 11.474 ( 1.902 0.000 -2.749) 3.342 11.572 ( 1.921 0.000 0.432) 1.969 11.579 ( -1.641 0.000 -0.512) 1.719 11.709 ( -2.621 0.000 2.173) 3.405 11.778 ( 1.861 0.000 -0.389) 1.902 12.345 ( -0.625 0.000 0.804) 1.019 12.391 ( 1.061 0.000 -0.323) 1.109 13.034 ( 2.070 0.000 1.754) 2.713 13.189 ( -2.821 0.000 -3.967) 4.868 14.183 ( 5.272 0.000 -1.005) 5.367 14.233 ( -3.380 0.000 -6.066) 6.944 14.543 ( -8.284 0.000 5.172) 9.766 14.755 ( 6.573 0.000 12.749) 14.344 14.896 ( -0.617 0.000 -4.725) 4.765 15.222 ( 0.944 0.000 -5.003) 5.092 15.945 ( -1.159 0.000 3.826) 3.998 16.124 ( -0.242 0.000 -3.114) 3.123 16.152 ( 0.236 0.000 5.157) 5.162 16.333 ( -1.846 0.000 0.198) 1.857 16.563 ( 3.191 0.000 0.248) 3.200 16.569 ( -0.208 0.000 2.199) 2.208 16.659 ( -1.663 0.000 -2.794) 3.252 16.687 ( 0.340 0.000 -1.736) 1.769 19.780 ( -0.020 0.000 2.308) 2.308 19.916 ( -0.035 0.000 -2.670) 2.670 20.577 ( -0.765 0.000 3.190) 3.281 20.676 ( 0.592 0.000 0.761) 0.964 20.803 ( 0.674 0.000 1.987) 2.099 20.971 ( -0.159 0.000 -2.594) 2.599 22.489 ( -1.381 0.000 -1.191) 1.824 22.636 ( 2.707 0.000 -6.145) 6.715 25.331 ( 0.031 0.000 0.812) 0.813 25.383 ( -0.066 0.000 -1.022) 1.024 28.882 ( 6.069 0.000 10.259) 11.920 29.160 ( -10.344 0.000 7.905) 13.019 29.886 ( 9.200 0.000 -12.403) 15.442 30.079 ( -1.901 0.000 -10.337) 10.511 30.231 ( 0.830 0.000 0.189) 0.852 30.251 ( -2.220 0.000 -0.389) 2.253 31.132 ( -3.560 0.000 10.726) 11.301 31.562 ( 0.884 0.000 -6.334) 6.396 31.985 ( 3.712 0.000 1.755) 4.106 32.040 ( -2.554 0.000 -0.658) 2.638 32.316 ( -5.087 0.000 2.297) 5.582 32.446 ( 4.799 0.000 -2.158) 5.262 32.996 ( 0.048 0.000 1.497) 1.498 33.075 ( 0.050 0.000 -1.168) 1.169 36.631 ( -1.459 0.000 -1.022) 1.782 36.659 ( 1.236 0.000 -2.812) 3.071 36.835 ( 1.229 0.000 3.645) 3.846 36.907 ( -2.039 0.000 3.479) 4.033 36.991 ( 1.828 0.000 3.844) 4.256 37.153 ( 0.164 0.000 -1.610) 1.618 37.352 ( -1.186 0.000 -1.828) 2.179 37.436 ( -0.388 0.000 -3.405) 3.427 ======================= Grid point 86 (31/90) ======================= q-point: (-0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -18.577 0.000 0.597) 18.586 1.233 ( -24.657 0.000 6.409) 25.476 1.620 ( 0.011 0.000 13.105) 13.105 2.040 ( -1.697 0.000 8.088) 8.264 2.214 ( -1.955 0.000 11.900) 12.060 2.227 ( 3.030 0.000 -3.908) 4.945 2.606 ( -1.453 0.000 -14.527) 14.599 2.628 ( -0.831 0.000 -1.504) 1.718 2.715 ( 6.933 0.000 -2.042) 7.228 2.980 ( 4.713 0.000 -10.394) 11.413 3.059 ( -2.678 0.000 4.386) 5.139 3.177 ( -14.048 0.000 -2.049) 14.196 3.204 ( 3.055 0.000 -5.832) 6.584 3.439 ( -6.215 0.000 4.074) 7.431 3.589 ( 8.688 0.000 -8.874) 12.419 3.679 ( -2.716 0.000 1.699) 3.204 3.820 ( -11.945 0.000 3.816) 12.540 3.965 ( -6.301 0.000 -1.768) 6.544 3.965 ( -2.093 0.000 -0.247) 2.107 4.166 ( -2.240 0.000 0.641) 2.330 4.217 ( 4.193 0.000 -4.756) 6.341 4.408 ( -3.398 0.000 -2.645) 4.306 4.413 ( 0.295 0.000 2.172) 2.192 4.457 ( -1.714 0.000 1.127) 2.052 4.576 ( 9.185 0.000 5.077) 10.495 4.634 ( -3.839 0.000 2.916) 4.821 4.784 ( -3.763 0.000 -5.594) 6.741 4.840 ( 9.841 0.000 0.557) 9.856 5.015 ( 1.260 0.000 7.891) 7.991 5.074 ( -5.684 0.000 -3.838) 6.858 5.160 ( -5.396 0.000 -0.129) 5.397 5.179 ( -6.219 0.000 1.823) 6.481 5.232 ( -0.560 0.000 1.113) 1.246 5.366 ( -0.736 0.000 1.654) 1.810 5.394 ( -1.726 0.000 3.327) 3.748 5.405 ( -5.269 0.000 0.204) 5.273 5.615 ( 1.072 0.000 -2.724) 2.928 5.665 ( 2.732 0.000 -6.578) 7.123 5.829 ( 3.598 0.000 -7.538) 8.353 5.912 ( 9.906 0.000 -6.476) 11.835 6.088 ( -4.422 0.000 0.380) 4.438 6.154 ( -4.355 0.000 0.467) 4.380 6.186 ( -9.654 0.000 0.885) 9.694 6.265 ( 1.396 0.000 -2.001) 2.440 6.287 ( 0.043 0.000 6.149) 6.149 6.413 ( -4.144 0.000 3.936) 5.715 6.491 ( -0.055 0.000 1.368) 1.369 6.611 ( 3.899 0.000 1.915) 4.343 7.390 ( 0.588 0.000 0.254) 0.641 7.402 ( 3.895 0.000 1.376) 4.131 7.478 ( 4.513 0.000 3.564) 5.751 7.526 ( 3.776 0.000 -0.546) 3.815 7.689 ( 0.511 0.000 7.527) 7.544 7.757 ( -3.936 0.000 -3.710) 5.409 7.847 ( -0.585 0.000 1.578) 1.683 7.871 ( -0.830 0.000 -1.268) 1.515 9.425 ( 1.573 0.000 -2.660) 3.090 9.452 ( 5.997 0.000 2.535) 6.510 9.750 ( 3.150 0.000 1.756) 3.606 9.819 ( 2.658 0.000 -0.810) 2.779 9.927 ( 3.255 0.000 1.915) 3.777 9.936 ( 2.121 0.000 -1.026) 2.357 10.389 ( -1.061 0.000 -1.124) 1.545 10.524 ( 2.857 0.000 -3.293) 4.360 11.404 ( 0.099 0.000 0.421) 0.433 11.478 ( 1.579 0.000 -2.169) 2.683 11.535 ( -2.511 0.000 -0.543) 2.569 11.590 ( -0.810 0.000 0.415) 0.910 11.732 ( 3.351 0.000 1.658) 3.739 11.829 ( 4.219 0.000 -0.506) 4.249 12.351 ( 0.399 0.000 0.695) 0.802 12.410 ( 1.715 0.000 -0.625) 1.825 13.086 ( -3.857 0.000 -4.341) 5.807 13.099 ( 2.496 0.000 3.361) 4.187 14.138 ( -2.738 0.000 -3.053) 4.101 14.259 ( 5.647 0.000 -3.689) 6.745 14.488 ( -6.279 0.000 9.607) 11.477 14.869 ( 1.922 0.000 -2.853) 3.440 14.970 ( 6.432 0.000 8.081) 10.328 15.181 ( 2.171 0.000 -8.247) 8.528 15.964 ( -1.828 0.000 4.596) 4.946 16.082 ( -0.970 0.000 -2.614) 2.788 16.212 ( -0.706 0.000 7.750) 7.782 16.289 ( -1.921 0.000 -2.228) 2.942 16.576 ( -1.537 0.000 2.300) 2.766 16.591 ( -1.822 0.000 -4.842) 5.173 16.629 ( 3.007 0.000 1.816) 3.513 16.664 ( -0.516 0.000 -2.594) 2.645 19.797 ( -1.115 0.000 2.814) 3.027 19.871 ( -1.836 0.000 -2.998) 3.515 20.602 ( -0.328 0.000 3.500) 3.515 20.683 ( 0.415 0.000 -0.931) 1.019 20.865 ( 2.989 0.000 3.861) 4.882 20.948 ( 1.237 0.000 -4.177) 4.356 22.440 ( -3.564 0.000 -0.577) 3.610 22.590 ( -0.533 0.000 -6.133) 6.156 25.349 ( 1.016 0.000 1.031) 1.447 25.376 ( 0.629 0.000 -1.157) 1.317 29.018 ( -10.402 0.000 -0.956) 10.446 29.105 ( 3.865 0.000 15.520) 15.994 29.923 ( 0.039 0.000 -15.263) 15.263 29.944 ( 7.381 0.000 -4.571) 8.682 30.210 ( -2.781 0.000 -0.051) 2.782 30.244 ( 0.431 0.000 0.537) 0.689 31.192 ( -2.830 0.000 11.305) 11.653 31.489 ( -1.118 0.000 -6.210) 6.309 31.994 ( -1.177 0.000 -2.074) 2.385 32.091 ( 5.319 0.000 2.769) 5.997 32.237 ( -5.653 0.000 0.203) 5.657 32.504 ( 3.969 0.000 -0.725) 4.035 33.020 ( 0.786 0.000 1.673) 1.849 33.064 ( 0.318 0.000 -1.542) 1.575 36.601 ( -1.313 0.000 -0.299) 1.347 36.655 ( 1.076 0.000 -1.614) 1.940 36.877 ( -0.231 0.000 2.381) 2.392 36.904 ( -1.386 0.000 1.882) 2.337 37.045 ( -0.603 0.000 4.224) 4.267 37.128 ( -0.836 0.000 -1.669) 1.867 37.340 ( 1.520 0.000 -0.815) 1.724 37.415 ( 2.010 0.000 -3.275) 3.842 ======================= Grid point 87 (32/90) ======================= q-point: (-0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -24.741 0.000 7.340) 25.807 0.900 ( -25.257 0.000 10.723) 27.440 1.565 ( -25.191 0.000 8.956) 26.735 2.135 ( 9.140 0.000 2.078) 9.373 2.184 ( -17.818 0.000 5.777) 18.731 2.335 ( 4.975 0.000 7.265) 8.805 2.392 ( -3.718 0.000 -11.601) 12.182 2.539 ( -5.793 0.000 -2.374) 6.261 2.727 ( -3.295 0.000 -2.760) 4.298 2.792 ( -9.898 0.000 5.529) 11.337 2.958 ( 8.561 0.000 -15.934) 18.088 3.163 ( -2.040 0.000 -3.638) 4.171 3.317 ( 6.602 0.000 3.335) 7.396 3.447 ( 6.664 0.000 2.118) 6.993 3.527 ( -3.777 0.000 -6.132) 7.202 3.571 ( -11.318 0.000 -6.921) 13.266 3.721 ( -3.451 0.000 4.326) 5.534 3.845 ( -5.365 0.000 -0.877) 5.436 3.948 ( -0.172 0.000 -0.943) 0.959 4.139 ( -1.794 0.000 2.219) 2.853 4.262 ( 5.525 0.000 -4.797) 7.317 4.314 ( -6.330 0.000 1.831) 6.589 4.374 ( -1.151 0.000 0.358) 1.206 4.509 ( 1.560 0.000 -0.039) 1.561 4.617 ( -2.154 0.000 3.842) 4.405 4.672 ( -3.292 0.000 -2.266) 3.997 4.810 ( 8.097 0.000 0.953) 8.153 4.870 ( -5.073 0.000 -2.900) 5.843 4.962 ( 3.160 0.000 0.722) 3.241 5.032 ( -2.910 0.000 -2.509) 3.842 5.112 ( -6.521 0.000 4.316) 7.820 5.148 ( -0.558 0.000 9.307) 9.324 5.223 ( -0.462 0.000 -2.767) 2.805 5.295 ( -4.685 0.000 -2.491) 5.306 5.419 ( 2.170 0.000 1.690) 2.750 5.437 ( -0.131 0.000 4.321) 4.323 5.588 ( -1.523 0.000 0.906) 1.772 5.627 ( 0.395 0.000 -6.049) 6.062 5.814 ( 2.185 0.000 -5.530) 5.946 5.914 ( 1.622 0.000 -5.978) 6.194 5.971 ( -4.590 0.000 -1.592) 4.858 6.092 ( -2.304 0.000 -2.467) 3.376 6.121 ( -4.407 0.000 4.927) 6.610 6.283 ( 2.282 0.000 -1.224) 2.590 6.356 ( -2.627 0.000 9.099) 9.471 6.365 ( -9.330 0.000 -4.407) 10.319 6.395 ( -1.293 0.000 3.232) 3.481 6.797 ( 8.514 0.000 5.531) 10.152 7.409 ( 0.747 0.000 0.207) 0.775 7.469 ( 1.865 0.000 1.064) 2.147 7.590 ( 4.702 0.000 -1.194) 4.851 7.624 ( 7.680 0.000 3.772) 8.556 7.680 ( -0.842 0.000 -3.179) 3.289 7.752 ( -0.803 0.000 5.144) 5.206 7.838 ( -1.460 0.000 -1.178) 1.876 7.864 ( 0.285 0.000 3.026) 3.039 9.453 ( 4.083 0.000 -1.643) 4.401 9.573 ( 5.472 0.000 1.658) 5.717 9.826 ( 4.112 0.000 1.175) 4.277 9.864 ( 2.376 0.000 -0.778) 2.500 9.958 ( 4.611 0.000 -4.338) 6.331 9.990 ( 3.270 0.000 -0.289) 3.283 10.372 ( -0.612 0.000 1.015) 1.185 10.531 ( 1.669 0.000 -2.964) 3.402 11.416 ( 0.837 0.000 0.377) 0.918 11.484 ( 1.332 0.000 -1.276) 1.844 11.495 ( -1.995 0.000 -0.035) 1.995 11.572 ( -1.144 0.000 -0.004) 1.144 11.824 ( 5.511 0.000 0.899) 5.583 11.892 ( 4.167 0.000 -0.912) 4.266 12.369 ( 0.978 0.000 0.551) 1.122 12.428 ( 1.484 0.000 -1.329) 1.992 12.998 ( -2.587 0.000 -2.312) 3.470 13.168 ( 1.627 0.000 3.114) 3.513 14.082 ( -1.533 0.000 -1.322) 2.024 14.280 ( 2.479 0.000 -3.551) 4.331 14.531 ( -2.450 0.000 10.351) 10.637 14.892 ( 3.345 0.000 -1.806) 3.801 15.115 ( 3.665 0.000 4.353) 5.691 15.138 ( 4.031 0.000 -9.676) 10.482 15.968 ( -3.308 0.000 4.315) 5.437 16.053 ( 0.205 0.000 -1.742) 1.754 16.234 ( -1.504 0.000 -3.096) 3.442 16.289 ( -1.062 0.000 12.231) 12.277 16.508 ( -0.776 0.000 -7.943) 7.981 16.567 ( -1.977 0.000 1.927) 2.760 16.616 ( -1.669 0.000 -4.076) 4.405 16.687 ( 1.837 0.000 1.839) 2.600 19.798 ( -1.865 0.000 2.499) 3.118 19.808 ( -2.134 0.000 -2.425) 3.230 20.635 ( 0.155 0.000 3.672) 3.675 20.677 ( 0.392 0.000 -1.475) 1.526 20.921 ( 1.343 0.000 -6.127) 6.273 20.958 ( 3.571 0.000 3.224) 4.811 22.364 ( -5.267 0.000 0.333) 5.277 22.518 ( -1.593 0.000 -3.708) 4.036 25.379 ( 1.264 0.000 0.937) 1.573 25.381 ( 1.119 0.000 -0.900) 1.436 28.821 ( -8.270 0.000 -7.272) 11.013 29.234 ( -6.540 0.000 11.813) 13.503 29.855 ( 9.882 0.000 -12.063) 15.594 30.016 ( 2.720 0.000 1.365) 3.043 30.162 ( -2.934 0.000 0.262) 2.946 30.270 ( 1.800 0.000 2.575) 3.142 31.243 ( -3.614 0.000 8.540) 9.273 31.423 ( -0.321 0.000 -4.499) 4.511 31.970 ( 0.455 0.000 -1.048) 1.143 32.116 ( -7.361 0.000 3.005) 7.951 32.223 ( 6.321 0.000 -1.344) 6.462 32.557 ( 3.401 0.000 -1.389) 3.673 33.049 ( 0.757 0.000 1.311) 1.514 33.056 ( 0.573 0.000 -1.453) 1.562 36.584 ( -0.861 0.000 0.516) 1.004 36.663 ( 0.924 0.000 -0.269) 0.963 36.868 ( -2.316 0.000 0.474) 2.364 36.895 ( -0.485 0.000 -1.722) 1.789 37.051 ( -1.970 0.000 1.987) 2.798 37.106 ( 0.551 0.000 -2.283) 2.349 37.388 ( 2.487 0.000 4.155) 4.843 37.435 ( 2.783 0.000 -0.995) 2.955 ======================= Grid point 88 (33/90) ======================= q-point: (-0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -21.220 0.000 18.401) 28.087 0.623 ( -25.124 0.000 14.291) 28.904 1.055 ( -42.920 0.000 22.986) 48.688 1.835 ( -16.250 0.000 -6.118) 17.364 2.212 ( -1.457 0.000 -18.373) 18.430 2.320 ( 1.343 0.000 -4.391) 4.592 2.490 ( 4.761 0.000 9.670) 10.779 2.564 ( 3.818 0.000 6.152) 7.241 2.645 ( -4.680 0.000 7.323) 8.690 2.756 ( -7.288 0.000 9.363) 11.865 2.939 ( 5.650 0.000 -14.044) 15.138 3.091 ( 3.827 0.000 -8.658) 9.466 3.285 ( -6.263 0.000 -10.384) 12.127 3.314 ( -0.159 0.000 -1.320) 1.329 3.441 ( -2.895 0.000 -2.696) 3.956 3.682 ( -5.815 0.000 5.907) 8.289 3.684 ( 8.709 0.000 1.619) 8.858 3.808 ( 1.048 0.000 3.527) 3.679 3.953 ( 1.521 0.000 -0.280) 1.547 4.144 ( 1.045 0.000 0.268) 1.079 4.272 ( -3.011 0.000 -0.876) 3.135 4.288 ( 0.668 0.000 0.046) 0.669 4.369 ( 4.261 0.000 -0.955) 4.367 4.510 ( 1.245 0.000 -0.679) 1.419 4.600 ( -2.217 0.000 -1.036) 2.447 4.636 ( 0.262 0.000 2.534) 2.547 4.775 ( -2.701 0.000 -0.142) 2.705 4.922 ( -4.779 0.000 2.169) 5.248 4.998 ( 5.474 0.000 0.129) 5.475 5.025 ( -2.866 0.000 -0.737) 2.959 5.049 ( -2.507 0.000 2.931) 3.857 5.146 ( -2.359 0.000 -0.631) 2.442 5.176 ( -0.607 0.000 -2.821) 2.886 5.241 ( 0.105 0.000 -0.734) 0.742 5.371 ( -3.821 0.000 -10.501) 11.175 5.413 ( -6.195 0.000 0.426) 6.210 5.577 ( 1.231 0.000 -5.800) 5.929 5.663 ( -0.186 0.000 2.349) 2.356 5.795 ( 1.204 0.000 -1.857) 2.213 5.924 ( 5.894 0.000 4.148) 7.207 5.964 ( 1.412 0.000 1.642) 2.166 6.050 ( -0.955 0.000 0.897) 1.310 6.104 ( -4.341 0.000 6.953) 8.197 6.179 ( -7.914 0.000 -2.638) 8.342 6.309 ( 1.614 0.000 -0.881) 1.838 6.346 ( -3.801 0.000 3.385) 5.090 6.452 ( -1.259 0.000 8.221) 8.316 6.872 ( -0.402 0.000 -10.982) 10.990 7.413 ( -0.369 0.000 0.532) 0.648 7.477 ( -0.197 0.000 -1.258) 1.273 7.647 ( 3.703 0.000 -1.486) 3.990 7.660 ( 1.795 0.000 -2.835) 3.355 7.710 ( 0.388 0.000 -2.947) 2.973 7.763 ( -1.198 0.000 0.696) 1.386 7.845 ( 2.197 0.000 3.267) 3.937 7.896 ( -1.647 0.000 3.843) 4.181 9.510 ( 3.431 0.000 -0.158) 3.435 9.642 ( 1.895 0.000 -0.661) 2.007 9.855 ( 0.396 0.000 -0.989) 1.065 9.897 ( 2.888 0.000 0.760) 2.987 10.025 ( 2.484 0.000 -2.056) 3.225 10.026 ( 5.821 0.000 -0.989) 5.905 10.394 ( -0.223 0.000 3.962) 3.968 10.527 ( 1.156 0.000 -1.808) 2.146 11.437 ( 1.118 0.000 0.852) 1.405 11.468 ( -1.513 0.000 0.563) 1.615 11.494 ( 0.941 0.000 -0.769) 1.216 11.558 ( -0.332 0.000 -0.472) 0.577 11.909 ( 3.713 0.000 0.328) 3.727 11.951 ( 3.942 0.000 -0.242) 3.949 12.391 ( 0.871 0.000 0.703) 1.119 12.439 ( 1.391 0.000 -0.412) 1.451 12.963 ( -0.396 0.000 0.449) 0.599 13.200 ( -0.496 0.000 0.544) 0.737 14.062 ( -0.092 0.000 -0.034) 0.098 14.320 ( 2.346 0.000 3.022) 3.825 14.522 ( -3.131 0.000 -1.873) 3.648 14.927 ( 1.983 0.000 -0.901) 2.178 15.169 ( 6.797 0.000 0.156) 6.799 15.181 ( 1.058 0.000 1.726) 2.025 15.931 ( -4.925 0.000 1.763) 5.231 16.045 ( 0.784 0.000 -2.380) 2.506 16.187 ( -0.265 0.000 -2.771) 2.783 16.322 ( -9.526 0.000 -10.465) 14.151 16.504 ( 9.652 0.000 11.918) 15.336 16.547 ( -1.084 0.000 -1.140) 1.573 16.551 ( -1.819 0.000 1.093) 2.122 16.722 ( 0.353 0.000 1.513) 1.554 19.765 ( -0.675 0.000 -1.239) 1.411 19.785 ( -2.117 0.000 1.406) 2.541 20.672 ( 0.621 0.000 -1.098) 1.261 20.677 ( 0.817 0.000 0.866) 1.191 20.882 ( 1.549 0.000 -0.905) 1.794 21.027 ( 1.528 0.000 1.295) 2.003 22.295 ( -3.602 0.000 1.588) 3.936 22.490 ( -0.239 0.000 0.526) 0.578 25.393 ( 1.103 0.000 -0.420) 1.180 25.403 ( 0.573 0.000 0.513) 0.769 28.660 ( -1.956 0.000 0.451) 2.007 29.156 ( -9.184 0.000 2.533) 9.527 29.969 ( 10.729 0.000 -3.892) 11.413 30.049 ( -0.544 0.000 1.580) 1.671 30.131 ( -1.092 0.000 1.086) 1.541 30.382 ( 6.058 0.000 5.654) 8.287 31.222 ( -5.174 0.000 2.327) 5.673 31.389 ( 0.373 0.000 -2.733) 2.759 31.995 ( 1.800 0.000 1.665) 2.452 32.026 ( -5.307 0.000 1.275) 5.458 32.308 ( 4.418 0.000 -0.292) 4.428 32.549 ( -1.751 0.000 -7.286) 7.493 33.057 ( 0.867 0.000 -0.685) 1.105 33.066 ( 0.110 0.000 0.740) 0.748 36.578 ( -0.709 0.000 0.559) 0.903 36.674 ( 0.094 0.000 -0.549) 0.557 36.803 ( -5.577 0.000 -7.970) 9.727 36.834 ( -1.737 0.000 0.536) 1.818 37.033 ( -2.043 0.000 0.752) 2.177 37.090 ( 1.070 0.000 -4.051) 4.190 37.481 ( 2.188 0.000 1.668) 2.751 37.529 ( 7.140 0.000 8.380) 11.010 ======================= Grid point 89 (34/90) ======================= q-point: ( 0.00 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 2.657 18.463 17.161) 25.346 0.913 ( 4.103 17.798 23.577) 29.824 1.395 ( -8.001 33.718 26.645) 43.714 1.697 ( 0.641 5.954 -15.806) 16.902 1.889 ( -2.161 3.274 -17.353) 17.791 2.232 ( -6.165 -0.197 -1.626) 6.379 2.487 ( -11.357 2.069 -3.386) 12.031 2.622 ( 1.990 1.159 2.200) 3.185 2.771 ( -5.168 3.096 5.598) 8.224 2.814 ( 8.567 4.315 3.296) 10.143 2.990 ( 6.219 1.272 -6.310) 8.951 3.130 ( 5.900 -2.587 -6.625) 9.241 3.229 ( 7.496 -2.836 1.279) 8.116 3.299 ( -1.762 -4.590 1.956) 5.292 3.384 ( 4.629 -1.170 0.400) 4.791 3.629 ( -1.872 -5.022 -2.459) 5.897 3.711 ( -2.088 0.226 2.786) 3.489 3.867 ( -0.416 3.571 1.780) 4.012 3.975 ( 2.522 0.190 -0.400) 2.561 4.062 ( 0.981 -2.390 -7.470) 7.904 4.209 ( -1.417 -0.704 2.677) 3.110 4.402 ( 1.483 3.965 -5.698) 7.098 4.430 ( 5.044 -4.904 -0.717) 7.071 4.513 ( -3.698 -5.798 -1.371) 7.012 4.576 ( -4.376 0.254 2.259) 4.931 4.638 ( -2.531 -2.181 -0.053) 3.341 4.686 ( 2.079 0.183 2.169) 3.010 4.779 ( -3.357 -3.158 1.054) 4.728 4.864 ( 0.691 -3.591 -2.142) 4.238 4.966 ( -1.501 -4.878 -3.457) 6.164 5.093 ( 0.337 3.511 -0.223) 3.534 5.183 ( -0.982 4.643 -1.319) 4.926 5.252 ( 2.670 2.003 1.315) 3.588 5.303 ( 1.101 5.797 1.108) 6.003 5.309 ( -0.608 2.109 -3.990) 4.554 5.339 ( 1.659 4.623 1.046) 5.022 5.600 ( -3.229 -0.681 0.655) 3.365 5.618 ( 4.644 2.352 -4.530) 6.900 5.757 ( -11.273 -1.513 -7.330) 13.531 5.804 ( 1.499 -1.430 -0.259) 2.088 5.970 ( 0.849 -0.788 -0.266) 1.188 6.072 ( -0.158 -2.183 6.690) 7.038 6.117 ( 4.054 -3.586 -0.228) 5.417 6.210 ( 2.005 1.481 2.206) 3.328 6.281 ( 0.882 1.787 5.516) 5.865 6.354 ( -3.791 0.225 -0.817) 3.885 6.581 ( 0.580 5.536 6.668) 8.686 6.788 ( -1.726 -0.794 0.205) 1.911 7.438 ( -0.167 1.827 1.266) 2.229 7.521 ( 1.864 3.847 -1.917) 4.685 7.607 ( -3.119 -2.063 -2.972) 4.777 7.668 ( -0.109 0.902 -1.761) 1.982 7.732 ( -1.907 0.483 0.883) 2.156 7.751 ( 1.014 1.538 -0.735) 1.983 7.856 ( -2.026 0.064 2.739) 3.408 7.911 ( 2.686 -1.697 1.587) 3.551 9.557 ( 0.565 0.300 1.503) 1.634 9.646 ( -0.581 1.071 -1.465) 1.906 9.883 ( 0.078 -0.061 -0.723) 0.729 9.921 ( 0.007 1.139 -0.804) 1.394 10.029 ( 0.713 -0.656 -0.832) 1.278 10.060 ( -0.471 -0.698 -0.981) 1.293 10.389 ( -0.009 -1.716 2.471) 3.008 10.503 ( 1.622 -3.907 -1.907) 4.641 11.443 ( -1.127 -0.329 0.620) 1.328 11.476 ( 0.437 0.287 1.526) 1.613 11.494 ( 0.537 -0.725 -0.494) 1.029 11.548 ( -0.238 -0.978 -1.323) 1.662 11.960 ( 0.374 1.687 0.462) 1.789 12.000 ( 0.107 2.190 -0.730) 2.311 12.401 ( -0.012 -1.600 0.336) 1.635 12.433 ( -0.146 -1.598 -0.504) 1.682 13.244 ( -2.410 8.017 -1.483) 8.502 13.363 ( 1.206 23.943 -16.201) 28.934 14.079 ( 1.317 0.163 1.225) 1.806 14.223 ( -3.833 -1.365 -4.769) 6.268 14.581 ( 8.679 -5.922 6.995) 12.622 14.790 ( -7.421 -11.591 1.348) 13.829 15.124 ( 5.004 -3.709 3.191) 6.998 15.192 ( -2.834 -5.558 4.932) 7.953 15.904 ( -0.348 2.434 1.396) 2.827 16.016 ( -2.905 -3.260 1.275) 4.549 16.055 ( -0.723 2.037 -2.277) 3.139 16.132 ( 1.456 -3.402 -1.058) 3.849 16.417 ( 0.707 -6.072 5.083) 7.950 16.491 ( 1.349 -5.556 1.296) 5.863 16.672 ( -2.496 -4.363 0.196) 5.031 16.702 ( 3.033 -3.370 -0.742) 4.594 19.829 ( 1.330 5.501 0.597) 5.691 19.962 ( -1.153 10.537 -8.733) 13.734 20.544 ( -0.227 -5.787 0.809) 5.848 20.590 ( -1.436 -6.608 -0.194) 6.765 21.126 ( 3.468 11.221 1.913) 11.899 21.187 ( -0.955 10.403 0.648) 10.467 22.258 ( 1.510 -3.912 2.861) 5.077 22.413 ( -0.623 -4.090 -2.519) 4.844 25.544 ( -0.794 12.962 1.729) 13.101 25.917 ( 0.424 31.930 -25.170) 40.660 28.595 ( 7.562 -21.943 3.476) 23.468 28.730 ( -0.908 -28.155 2.035) 28.243 29.967 ( -10.701 -9.320 18.723) 23.493 30.054 ( -2.403 -0.898 2.924) 3.890 30.104 ( 1.897 -0.815 2.040) 2.902 30.214 ( 7.277 3.135 1.799) 8.125 31.187 ( -1.714 -1.139 3.360) 3.940 31.368 ( 0.681 -0.726 -2.920) 3.085 31.781 ( -5.068 -14.112 3.328) 15.359 31.851 ( 6.511 -12.986 0.461) 14.534 32.340 ( -3.098 7.356 5.729) 9.825 32.497 ( 1.214 9.333 -1.177) 9.485 33.091 ( 0.874 1.459 1.684) 2.393 33.277 ( -0.642 5.567 -7.527) 9.384 36.538 ( -0.640 -2.796 0.794) 2.976 36.604 ( 0.769 -0.967 -2.194) 2.518 36.747 ( 0.211 0.345 3.654) 3.677 36.865 ( 1.920 1.638 -2.187) 3.339 37.017 ( -1.806 2.220 0.226) 2.871 37.139 ( 0.248 6.133 -4.358) 7.527 37.461 ( -5.263 -2.541 6.899) 9.042 37.778 ( 3.043 5.263 -10.115) 11.801 ======================= Grid point 90 (35/90) ======================= q-point: ( 0.12 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.424 14.049 15.382) 20.881 1.228 ( 3.925 21.257 16.294) 27.070 1.514 ( 3.423 7.512 -1.960) 8.485 1.774 ( 6.995 7.753 -13.693) 17.221 1.978 ( 34.104 10.976 12.639) 37.991 2.204 ( 7.896 7.833 -1.168) 11.183 2.314 ( -12.035 2.027 4.853) 13.134 2.609 ( -1.368 3.286 0.894) 3.669 2.770 ( 2.646 1.475 -4.164) 5.150 2.931 ( 0.113 1.034 -8.830) 8.891 2.938 ( 2.079 1.637 2.347) 3.537 3.200 ( -6.473 -6.597 -2.201) 9.501 3.214 ( 10.412 -4.655 -4.910) 12.417 3.366 ( 2.053 -1.522 -0.346) 2.578 3.408 ( -8.967 -2.173 -6.259) 11.149 3.581 ( 6.524 0.059 1.774) 6.761 3.787 ( 4.375 -2.789 6.285) 8.150 3.901 ( 1.945 2.039 2.039) 3.478 3.998 ( 3.065 0.987 -5.518) 6.389 4.047 ( 5.062 1.289 -4.064) 6.618 4.227 ( -2.357 -2.313 2.342) 4.048 4.306 ( -4.462 3.027 -3.119) 6.229 4.386 ( -2.281 -2.246 -1.866) 3.705 4.490 ( -0.435 -1.229 -0.085) 1.306 4.558 ( 1.072 -3.721 2.425) 4.569 4.654 ( 0.331 -2.012 3.216) 3.808 4.762 ( 6.280 -3.528 0.150) 7.204 4.806 ( -4.854 -2.379 -3.166) 6.265 4.862 ( 4.918 -0.423 1.918) 5.295 4.930 ( 2.190 -5.319 0.518) 5.775 5.109 ( -2.857 0.501 -1.105) 3.104 5.127 ( 2.860 1.638 -0.285) 3.309 5.214 ( -3.937 4.440 -0.836) 5.993 5.273 ( -1.481 0.915 -3.655) 4.048 5.349 ( 2.573 6.505 0.971) 7.063 5.449 ( 2.821 5.221 -1.550) 6.134 5.502 ( 1.907 0.248 0.094) 1.925 5.677 ( 6.623 -2.920 -0.448) 7.252 5.781 ( 8.686 0.647 1.459) 8.831 5.821 ( 3.547 -1.527 -1.703) 4.221 5.969 ( -1.515 -0.858 1.856) 2.544 6.081 ( -4.664 -4.451 0.924) 6.513 6.154 ( 1.990 -0.602 -1.262) 2.432 6.265 ( 1.289 -1.696 -0.575) 2.206 6.333 ( 2.844 1.906 2.151) 4.043 6.363 ( 2.491 1.876 4.323) 5.331 6.594 ( -6.244 6.738 2.917) 9.638 6.769 ( -0.894 1.323 2.138) 2.669 7.438 ( -1.676 0.848 1.260) 2.262 7.514 ( -0.136 2.008 -2.736) 3.396 7.556 ( -1.058 -0.055 -0.122) 1.066 7.628 ( -4.571 1.842 0.460) 4.949 7.695 ( -1.332 -0.248 -1.684) 2.161 7.735 ( -1.611 2.861 -0.310) 3.298 7.837 ( -1.247 1.290 1.151) 2.132 7.958 ( -0.033 -2.855 1.113) 3.065 9.545 ( -3.870 -0.744 0.647) 3.994 9.602 ( -2.597 1.224 -0.731) 2.962 9.854 ( -3.233 -1.109 0.267) 3.428 9.907 ( -0.114 1.434 -1.336) 1.963 9.987 ( -4.906 -1.154 -0.843) 5.110 10.016 ( -3.063 0.359 -0.738) 3.171 10.417 ( 0.661 -1.678 1.765) 2.523 10.516 ( 1.902 -4.580 -1.963) 5.334 11.424 ( -1.735 -0.919 1.046) 2.225 11.499 ( 0.387 -0.316 -0.095) 0.509 11.507 ( 1.035 -0.156 0.561) 1.188 11.535 ( 0.757 -0.185 -0.830) 1.138 11.932 ( -4.280 2.392 0.293) 4.911 11.967 ( -2.842 1.932 -1.065) 3.598 12.375 ( -3.204 -2.482 0.422) 4.075 12.421 ( -0.701 -1.319 -0.329) 1.529 13.169 ( -3.405 9.464 -1.626) 10.188 13.287 ( 0.825 15.903 -2.223) 16.078 14.131 ( 1.106 -0.664 0.333) 1.333 14.154 ( 1.849 -0.493 -1.369) 2.353 14.653 ( -6.768 -6.658 2.236) 9.754 14.752 ( 2.104 -6.260 1.222) 6.716 15.043 ( -8.760 -7.791 -0.231) 11.726 15.300 ( 5.040 -1.483 0.979) 5.344 15.925 ( -0.066 2.447 1.973) 3.145 16.014 ( 1.393 -1.146 0.734) 1.948 16.026 ( 0.125 0.399 -1.569) 1.623 16.160 ( 2.558 -4.556 -0.815) 5.288 16.456 ( 0.274 -4.777 1.696) 5.076 16.522 ( 1.015 -5.833 0.018) 5.921 16.615 ( -2.330 -3.381 -0.320) 4.119 16.741 ( 0.849 -4.334 -0.231) 4.422 19.860 ( -1.149 8.197 -2.394) 8.616 19.880 ( 1.840 6.312 -0.091) 6.575 20.518 ( -2.688 -5.190 0.182) 5.848 20.591 ( 0.683 -6.086 0.401) 6.137 21.098 ( -4.468 11.533 -0.837) 12.397 21.218 ( 1.458 12.169 0.296) 12.260 22.343 ( 3.665 -4.322 3.359) 6.587 22.416 ( 5.222 -4.748 -3.264) 7.776 25.537 ( -2.604 14.449 2.445) 14.884 25.709 ( -3.430 23.120 -8.733) 24.952 28.506 ( -7.119 -24.207 -0.210) 25.233 29.002 ( 20.476 -22.229 -3.387) 30.412 29.753 ( -23.449 -7.110 9.492) 26.278 30.048 ( 0.243 0.842 0.183) 0.895 30.108 ( 2.452 0.694 -0.626) 2.624 30.514 ( 12.800 3.454 1.676) 13.363 31.173 ( -4.706 -0.512 4.266) 6.373 31.367 ( 3.372 -1.745 -3.024) 4.854 31.761 ( 0.212 -12.729 1.131) 12.781 32.033 ( 12.565 -13.849 -0.799) 18.717 32.337 ( -3.470 9.328 4.386) 10.876 32.492 ( -0.171 7.245 -1.112) 7.332 33.116 ( -0.353 2.180 2.161) 3.089 33.170 ( -3.883 6.189 -4.853) 8.771 36.546 ( 0.748 -2.647 0.905) 2.896 36.603 ( 1.307 -2.350 -1.738) 3.201 36.790 ( 0.278 0.114 4.128) 4.139 36.858 ( 0.678 1.195 -3.836) 4.074 36.979 ( -2.505 2.343 -0.693) 3.499 37.136 ( 3.301 6.303 -1.571) 7.286 37.390 ( -9.403 -4.611 4.949) 11.584 37.750 ( 1.760 6.484 -3.607) 7.626 ======================= Grid point 91 (36/90) ======================= q-point: ( 0.25 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.020 7.763 11.194) 14.518 1.469 ( 14.120 22.452 6.615) 27.335 1.600 ( 7.775 3.084 -2.856) 8.839 1.817 ( 4.123 9.519 4.249) 11.210 2.115 ( -13.755 3.043 2.393) 14.289 2.328 ( 8.380 10.981 3.657) 14.289 2.615 ( 0.383 -1.341 -0.867) 1.642 2.699 ( 5.302 0.295 2.400) 5.828 2.780 ( 17.939 -1.911 -0.842) 18.060 2.877 ( 1.768 -2.427 -7.615) 8.186 2.975 ( 9.977 1.721 -1.219) 10.197 3.068 ( -3.949 -5.838 -3.082) 7.693 3.191 ( 3.137 1.339 -7.379) 8.129 3.371 ( 1.196 3.795 1.421) 4.225 3.431 ( 11.050 -0.471 -2.103) 11.258 3.627 ( -1.568 2.835 -2.871) 4.329 3.878 ( -0.098 -3.200 4.619) 5.620 3.950 ( 3.067 0.242 0.505) 3.118 3.991 ( 2.738 -0.148 -5.657) 6.286 4.055 ( -1.610 4.125 -1.600) 4.708 4.210 ( 1.882 -3.924 -0.751) 4.416 4.309 ( 3.829 0.614 0.230) 3.885 4.380 ( 2.533 1.279 -0.296) 2.853 4.475 ( -1.065 2.382 -0.475) 2.652 4.623 ( 0.372 -1.956 4.467) 4.891 4.660 ( -3.319 -2.852 1.946) 4.790 4.718 ( -0.092 -1.599 -1.804) 2.412 4.781 ( -2.335 -6.652 -0.288) 7.056 4.917 ( 1.731 -1.964 -0.306) 2.636 5.042 ( 8.035 -5.262 2.093) 9.830 5.103 ( -2.304 0.068 -0.104) 2.308 5.133 ( -1.569 0.205 -1.960) 2.519 5.191 ( 3.794 -0.421 -0.437) 3.843 5.288 ( 7.121 3.871 3.028) 8.652 5.387 ( 1.050 6.206 -0.119) 6.295 5.463 ( 0.531 2.031 1.552) 2.611 5.580 ( 4.443 -3.612 -1.843) 6.015 5.725 ( 0.634 -3.399 -2.088) 4.039 5.836 ( 1.213 -0.448 -3.924) 4.131 5.886 ( -2.208 -1.048 1.920) 3.108 5.970 ( -2.608 -2.109 -3.919) 5.158 6.112 ( 12.003 -2.090 7.613) 14.367 6.162 ( 1.561 2.200 -2.358) 3.583 6.282 ( 0.936 -2.029 0.181) 2.242 6.396 ( 2.595 2.066 0.368) 3.337 6.438 ( 0.385 4.372 0.533) 4.421 6.509 ( -2.846 5.419 3.406) 7.004 6.762 ( -2.979 4.591 0.813) 5.533 7.414 ( -2.477 0.816 1.812) 3.175 7.471 ( -2.650 2.131 -2.140) 4.018 7.523 ( -5.509 1.573 1.221) 5.858 7.556 ( -1.986 2.170 1.327) 3.227 7.664 ( -2.778 0.162 -0.216) 2.791 7.731 ( 2.172 0.870 0.171) 2.346 7.837 ( -0.117 1.122 0.618) 1.286 7.937 ( -3.297 -3.301 1.344) 4.855 9.451 ( -6.158 -0.787 -1.169) 6.317 9.554 ( -4.040 -0.738 1.204) 4.280 9.796 ( -4.853 -1.114 1.290) 5.143 9.881 ( -2.764 -1.995 -2.322) 4.124 9.903 ( -2.645 2.222 1.156) 3.643 9.939 ( -4.560 1.383 -1.256) 4.928 10.437 ( 0.055 -1.638 0.698) 1.781 10.514 ( 0.779 -4.102 -2.877) 5.071 11.412 ( -1.158 -0.885 1.121) 1.839 11.484 ( -0.155 -0.561 -1.931) 2.017 11.536 ( 1.519 0.226 0.643) 1.665 11.556 ( 1.643 0.749 -0.161) 1.812 11.847 ( -5.946 2.313 0.947) 6.450 11.895 ( -4.256 2.065 -1.187) 4.877 12.326 ( -3.010 -3.829 0.638) 4.912 12.399 ( -1.418 -1.619 -0.497) 2.209 13.115 ( -2.057 8.738 -0.453) 8.988 13.312 ( 1.741 11.470 1.205) 11.664 14.105 ( 0.768 -1.159 -3.133) 3.428 14.268 ( 5.394 -1.156 6.220) 8.314 14.528 ( -5.094 -5.430 -6.143) 9.652 14.755 ( -6.155 1.951 4.689) 7.980 14.916 ( -4.484 -11.396 -1.132) 12.299 15.340 ( 0.211 1.151 -0.948) 1.506 15.939 ( -0.612 2.198 2.318) 3.252 16.028 ( 0.432 -3.414 0.653) 3.503 16.074 ( 4.809 0.019 0.296) 4.819 16.185 ( 1.177 -7.023 -0.682) 7.153 16.471 ( 0.635 -4.212 0.335) 4.273 16.509 ( -0.652 -5.258 -1.584) 5.530 16.620 ( 2.003 -2.542 0.056) 3.237 16.729 ( -1.530 -2.876 -0.169) 3.262 19.822 ( -0.385 7.184 -0.968) 7.259 19.935 ( 2.757 4.962 0.806) 5.734 20.475 ( -2.492 -4.950 -0.004) 5.542 20.603 ( 0.111 -5.797 0.581) 5.827 21.024 ( -3.165 12.810 -0.462) 13.203 21.220 ( -0.798 14.282 -0.407) 14.310 22.412 ( 2.998 -5.900 0.057) 6.618 22.504 ( 6.897 -4.438 -1.878) 8.414 25.510 ( -3.445 14.592 2.429) 15.189 25.617 ( -1.756 17.624 -2.925) 17.952 28.412 ( -2.809 -23.976 -1.533) 24.189 29.279 ( 16.076 -22.996 -2.167) 28.142 29.488 ( -15.973 -3.955 4.265) 16.999 30.059 ( 0.832 0.080 0.445) 0.947 30.151 ( 3.194 1.415 -0.742) 3.572 30.637 ( 3.917 8.374 -2.978) 9.712 31.136 ( -5.092 0.534 5.702) 7.663 31.426 ( 6.748 -2.334 -2.432) 7.544 31.784 ( 1.056 -12.049 0.298) 12.099 32.180 ( 4.144 -11.118 -0.442) 11.874 32.322 ( -0.151 12.076 1.014) 12.120 32.482 ( 0.152 6.489 -0.557) 6.515 33.063 ( -3.799 2.973 -2.513) 5.439 33.125 ( -1.598 2.648 1.889) 3.625 36.578 ( 1.671 -3.455 1.115) 3.997 36.610 ( 1.236 -3.810 -1.148) 4.166 36.813 ( -0.230 0.126 -3.857) 3.866 36.842 ( 1.033 0.138 2.667) 2.863 36.937 ( -1.739 1.264 -0.027) 2.150 37.193 ( 3.665 7.451 -0.682) 8.332 37.288 ( -7.900 -7.282 4.834) 11.782 37.736 ( -0.651 8.056 -1.913) 8.305 ======================= Grid point 92 (37/90) ======================= q-point: ( 0.38 0.12 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 6.238 8.015 9.929) 14.204 1.624 ( 2.885 8.409 -5.428) 10.416 1.752 ( -1.918 10.427 11.867) 15.913 1.924 ( -4.232 11.161 9.126) 15.025 2.044 ( 11.115 5.997 2.929) 12.965 2.412 ( 0.666 3.865 -1.190) 4.098 2.520 ( -6.445 -3.145 -4.334) 8.380 2.623 ( -1.619 -1.710 -6.661) 7.065 2.756 ( -7.055 -3.928 0.223) 8.078 2.987 ( 2.450 -2.578 -4.759) 5.941 3.082 ( 20.089 -2.728 -9.053) 22.203 3.171 ( 6.696 0.344 5.321) 8.559 3.254 ( 0.036 5.051 -4.806) 6.972 3.448 ( -3.288 7.078 -1.640) 7.975 3.600 ( 11.074 -1.592 -1.676) 11.312 3.614 ( 10.054 3.602 3.209) 11.152 3.904 ( -1.633 0.967 2.448) 3.098 3.996 ( 2.381 -0.346 -0.826) 2.544 4.008 ( 3.942 -2.243 -1.744) 4.859 4.043 ( 2.267 -1.702 0.060) 2.836 4.198 ( -0.284 -2.734 -3.039) 4.098 4.344 ( -0.331 1.372 -0.655) 1.556 4.403 ( -4.025 0.166 -1.160) 4.192 4.474 ( 5.340 -0.787 0.240) 5.403 4.617 ( -1.711 -1.594 1.806) 2.955 4.679 ( -1.209 0.024 0.937) 1.530 4.719 ( 1.151 -1.161 2.379) 2.887 4.817 ( 5.293 -0.338 4.854) 7.190 4.949 ( -2.031 -3.221 -5.536) 6.719 5.021 ( 1.827 2.451 0.620) 3.119 5.119 ( 1.736 -5.994 -0.400) 6.253 5.154 ( 3.104 -3.974 0.973) 5.136 5.280 ( 3.967 -3.662 1.828) 5.700 5.347 ( -3.230 4.627 0.400) 5.657 5.462 ( 2.118 1.071 0.260) 2.388 5.473 ( 1.628 2.145 2.300) 3.542 5.570 ( -4.369 -2.703 -3.610) 6.279 5.670 ( 0.859 -5.509 -2.212) 5.998 5.804 ( -4.254 0.508 0.114) 4.286 5.844 ( 2.983 3.985 -2.156) 5.425 5.973 ( 2.598 -0.294 -1.031) 2.810 6.181 ( 2.904 2.246 -0.682) 3.734 6.281 ( 0.177 -2.696 -0.927) 2.856 6.338 ( 3.089 -2.008 6.437) 7.417 6.370 ( -1.074 6.597 -5.519) 8.668 6.461 ( 3.463 4.082 2.506) 5.911 6.568 ( 1.901 2.951 1.173) 3.701 6.683 ( -5.087 5.787 -1.294) 7.813 7.390 ( -2.745 1.460 -0.401) 3.135 7.401 ( -2.901 0.688 1.338) 3.268 7.461 ( -4.352 0.998 3.158) 5.469 7.564 ( -0.823 2.484 1.867) 3.214 7.599 ( -3.574 2.757 0.788) 4.582 7.779 ( 1.445 -2.408 1.607) 3.235 7.848 ( 0.830 -0.445 0.553) 1.092 7.899 ( -1.945 -2.210 -0.106) 2.946 9.355 ( -3.936 -1.025 -0.047) 4.068 9.490 ( -4.115 -2.134 -0.048) 4.636 9.716 ( -5.461 -2.266 1.042) 6.004 9.819 ( -1.740 -3.066 -1.832) 3.973 9.871 ( -1.757 2.810 -0.129) 3.317 9.902 ( -0.628 2.847 2.281) 3.701 10.432 ( -0.726 -1.486 -0.388) 1.699 10.493 ( 0.810 -3.049 -3.473) 4.692 11.406 ( -0.810 -0.499 1.029) 1.402 11.468 ( 0.865 -0.497 -2.289) 2.497 11.559 ( 1.129 0.849 -0.378) 1.463 11.583 ( 1.572 0.524 0.025) 1.657 11.775 ( -4.584 2.330 2.039) 5.532 11.820 ( -2.960 2.196 -0.853) 3.783 12.295 ( -1.824 -4.486 1.191) 4.987 12.374 ( -0.753 -2.135 -0.626) 2.348 13.094 ( -0.605 8.252 0.697) 8.304 13.332 ( 0.085 9.061 -1.416) 9.172 14.109 ( 2.204 -1.383 -0.739) 2.705 14.353 ( -1.434 -1.007 -6.595) 6.824 14.456 ( 2.495 -5.178 4.975) 7.602 14.686 ( -6.433 2.505 6.705) 9.623 14.862 ( -2.057 -8.138 -0.809) 8.433 15.308 ( -0.764 1.742 -3.581) 4.055 15.953 ( -0.876 2.257 3.080) 3.918 16.047 ( 0.398 -5.300 2.151) 5.734 16.141 ( 2.337 0.833 -1.792) 3.061 16.200 ( 1.154 -9.589 1.725) 9.811 16.479 ( 0.727 -4.764 -0.681) 4.867 16.508 ( 1.178 -3.065 0.685) 3.355 16.645 ( 1.240 -3.259 -1.434) 3.770 16.698 ( -1.554 -2.172 -0.768) 2.779 19.824 ( 0.492 6.067 0.771) 6.136 19.971 ( 1.355 4.518 -0.767) 4.779 20.449 ( -1.079 -4.964 1.292) 5.242 20.603 ( -0.444 -5.883 -0.054) 5.900 20.993 ( -1.287 14.118 1.474) 14.253 21.196 ( -0.706 15.088 -1.365) 15.166 22.445 ( 1.409 -5.541 -0.717) 5.762 22.573 ( 4.707 -4.528 -3.758) 7.535 25.480 ( -2.739 13.730 2.016) 14.145 25.575 ( -0.580 15.740 -1.892) 15.864 28.402 ( 0.835 -24.130 3.210) 24.357 29.270 ( -6.724 -28.458 -6.104) 29.872 29.522 ( 7.295 4.279 6.768) 10.832 30.083 ( 0.695 -0.550 1.609) 1.837 30.188 ( 2.423 1.698 -1.260) 3.216 30.610 ( 0.592 10.059 -8.777) 13.363 31.131 ( -3.783 1.731 8.020) 9.035 31.511 ( 5.870 -3.181 -3.356) 7.472 31.800 ( 0.516 -10.382 1.297) 10.476 32.148 ( -4.249 -1.674 -1.634) 4.851 32.372 ( 3.201 5.952 0.606) 6.786 32.485 ( 1.185 6.442 -1.248) 6.668 33.001 ( -1.980 0.398 -0.097) 2.022 33.109 ( -1.700 1.654 0.421) 2.409 36.605 ( 0.886 -4.191 -0.464) 4.308 36.626 ( 0.865 -3.573 0.616) 3.728 36.767 ( -0.376 -0.770 -3.427) 3.532 36.884 ( 2.915 -3.920 -2.588) 5.528 36.938 ( -1.352 2.989 6.636) 7.402 37.180 ( -3.174 -2.516 -0.371) 4.068 37.279 ( -0.400 3.061 4.351) 5.335 37.690 ( -1.361 8.945 -3.674) 9.765 ======================= Grid point 93 (38/90) ======================= q-point: (-0.50 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -2.110 7.770 6.628) 10.429 1.592 ( -8.069 8.215 15.019) 18.925 1.649 ( -7.011 13.993 -3.059) 15.947 2.013 ( 1.441 7.030 6.245) 9.513 2.231 ( 3.299 10.233 2.580) 11.056 2.341 ( -7.295 -0.664 -7.422) 10.428 2.417 ( 2.579 -6.559 1.174) 7.145 2.595 ( 5.583 -2.742 -1.956) 6.520 2.720 ( 1.404 -2.055 -1.406) 2.858 2.960 ( 3.920 -1.675 -9.100) 10.049 3.146 ( -5.398 5.022 -3.464) 8.146 3.236 ( 0.709 0.289 -1.122) 1.358 3.340 ( -0.708 5.079 -0.460) 5.148 3.410 ( 14.403 0.788 0.570) 14.436 3.689 ( 0.748 -1.392 -1.763) 2.368 3.707 ( -5.286 5.193 0.369) 7.419 3.882 ( -3.579 -2.762 3.268) 5.578 3.996 ( -1.354 -0.700 -0.541) 1.618 4.053 ( 1.486 1.625 -0.693) 2.308 4.118 ( 6.055 -1.855 -1.935) 6.621 4.195 ( 1.105 -5.035 0.160) 5.158 4.305 ( -0.179 -0.836 0.665) 1.083 4.361 ( 2.560 -0.759 -3.314) 4.256 4.482 ( -5.465 -4.749 -1.984) 7.507 4.619 ( -7.983 0.721 -0.071) 8.016 4.640 ( 5.017 -1.277 -0.191) 5.180 4.758 ( -0.040 5.292 1.328) 5.457 4.857 ( -0.166 -4.124 4.213) 5.898 4.958 ( 2.327 2.274 -0.187) 3.259 5.070 ( -0.103 0.289 0.201) 0.367 5.124 ( -0.288 -6.134 -2.257) 6.542 5.181 ( -0.656 -4.010 -1.791) 4.440 5.261 ( -4.638 0.783 4.438) 6.466 5.394 ( 1.024 -1.191 2.190) 2.695 5.452 ( 7.541 -5.766 -0.304) 9.498 5.486 ( -2.577 3.010 0.752) 4.033 5.533 ( -0.524 4.663 1.212) 4.847 5.700 ( -0.639 -2.767 -3.409) 4.437 5.744 ( 2.701 1.480 -0.915) 3.213 5.875 ( 3.048 3.879 -3.489) 6.042 6.032 ( 2.394 -2.775 4.477) 5.786 6.188 ( -2.816 -3.295 -0.567) 4.371 6.263 ( -2.103 3.213 -1.074) 3.988 6.309 ( 1.718 5.260 -4.410) 7.076 6.371 ( -3.925 0.548 2.235) 4.550 6.494 ( -2.218 1.173 -3.580) 4.372 6.537 ( -0.968 5.628 2.080) 6.078 6.655 ( 0.248 5.225 0.019) 5.231 7.359 ( -0.398 0.474 0.429) 0.753 7.390 ( 0.114 0.980 0.496) 1.104 7.440 ( -1.134 1.542 2.667) 3.283 7.527 ( -0.262 2.113 -0.670) 2.232 7.638 ( 1.025 2.999 5.835) 6.640 7.802 ( -0.755 -2.843 2.366) 3.775 7.851 ( -1.688 -0.397 -0.905) 1.956 7.872 ( 0.255 -1.132 -1.113) 1.608 9.342 ( 1.338 -1.579 1.717) 2.689 9.433 ( -1.299 -1.965 -1.765) 2.943 9.675 ( -0.500 -2.689 1.332) 3.042 9.783 ( 0.414 -3.465 -2.408) 4.240 9.883 ( 1.331 2.321 2.147) 3.430 9.920 ( 0.009 2.403 2.002) 3.127 10.409 ( -1.010 -1.186 -1.280) 2.016 10.483 ( 2.070 -2.687 -3.226) 4.681 11.404 ( -0.637 -0.015 0.816) 1.035 11.469 ( 1.822 -0.397 -2.188) 2.875 11.570 ( 0.360 -0.139 -0.214) 0.442 11.588 ( -0.715 0.611 -0.531) 1.080 11.740 ( -1.737 2.828 2.066) 3.910 11.802 ( 1.487 2.261 -0.185) 2.712 12.291 ( -0.498 -4.322 1.667) 4.659 12.366 ( 0.665 -2.631 -0.691) 2.800 13.110 ( 0.890 7.303 2.208) 7.681 13.286 ( -1.608 8.837 -4.391) 9.998 14.156 ( 2.649 -1.803 0.517) 3.246 14.254 ( -0.615 1.407 -6.113) 6.303 14.482 ( -5.176 -4.836 4.119) 8.195 14.747 ( 4.749 -4.027 3.410) 7.100 14.833 ( -2.043 -2.182 4.732) 5.597 15.258 ( 0.545 0.980 -5.952) 6.057 15.971 ( -0.992 2.279 3.614) 4.386 16.086 ( 0.407 -5.945 4.158) 7.266 16.123 ( -0.654 -1.012 -2.701) 2.958 16.229 ( -0.203 -6.780 0.675) 6.817 16.500 ( 1.223 -5.068 1.034) 5.315 16.538 ( 0.274 -2.853 2.340) 3.700 16.624 ( -0.479 -3.430 -3.383) 4.841 16.669 ( -0.240 -2.327 -2.005) 3.081 19.847 ( 0.495 5.870 2.032) 6.231 19.962 ( -0.518 4.135 -2.225) 4.724 20.468 ( 0.599 -4.847 2.960) 5.711 20.589 ( -0.504 -6.333 -1.207) 6.467 21.006 ( 0.045 14.440 3.111) 14.772 21.174 ( 0.296 15.319 -2.345) 15.500 22.444 ( -0.778 -4.153 -0.580) 4.264 22.581 ( 1.636 -5.119 -5.068) 7.386 25.464 ( -1.267 12.971 1.705) 13.144 25.563 ( 1.491 15.664 -1.799) 15.837 28.493 ( 1.524 -25.717 9.652) 27.511 29.110 ( -1.761 -26.213 -11.611) 28.724 29.670 ( -0.589 4.648 11.183) 12.125 30.102 ( -0.125 0.586 0.936) 1.112 30.210 ( 1.359 1.241 -0.426) 1.889 30.507 ( 0.797 9.965 -13.268) 16.613 31.165 ( -2.818 2.375 9.269) 9.975 31.520 ( 0.768 -3.599 -5.471) 6.594 31.845 ( 1.444 -9.185 3.900) 10.083 32.063 ( -1.695 -1.161 -4.334) 4.796 32.395 ( -2.121 6.807 1.701) 7.330 32.499 ( 2.715 4.482 -2.227) 5.694 33.002 ( 1.158 0.402 1.718) 2.110 33.084 ( -0.865 0.509 -1.021) 1.431 36.606 ( -0.242 -2.474 -0.215) 2.495 36.634 ( 0.219 -2.897 -0.543) 2.956 36.739 ( -0.547 -4.032 -0.742) 4.136 36.887 ( 2.198 -5.190 -4.305) 7.093 37.011 ( 0.324 2.523 7.683) 8.093 37.139 ( -1.650 -3.774 1.146) 4.276 37.304 ( -1.599 6.343 3.793) 7.561 37.634 ( 0.805 9.173 -5.990) 10.985 ======================= Grid point 94 (39/90) ======================= q-point: (-0.38 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -22.789 7.862 8.398) 25.528 1.430 ( -14.788 17.834 -0.568) 23.175 1.761 ( 1.466 12.710 10.265) 16.404 2.050 ( -3.838 1.867 5.398) 6.882 2.235 ( 4.039 1.068 -3.559) 5.488 2.292 ( -2.446 5.663 10.124) 11.855 2.485 ( 4.323 -7.462 -2.075) 8.870 2.625 ( -2.525 -0.373 -7.549) 7.969 2.726 ( 3.192 0.446 -3.371) 4.664 2.931 ( 4.399 -3.806 -11.787) 13.144 3.054 ( -6.105 3.762 2.424) 7.570 3.180 ( -0.495 2.829 -1.401) 3.195 3.343 ( -2.257 3.807 -1.713) 4.746 3.499 ( -13.948 4.281 0.773) 14.610 3.586 ( 5.163 -0.807 -7.058) 8.782 3.629 ( -3.478 -3.712 2.900) 5.855 3.821 ( -8.422 0.416 2.949) 8.933 3.949 ( -2.989 1.493 -1.508) 3.666 4.042 ( -0.915 4.645 -0.602) 4.772 4.133 ( -1.088 -2.782 0.957) 3.137 4.220 ( 5.744 0.013 -5.604) 8.025 4.375 ( 0.638 -5.186 -0.097) 5.226 4.400 ( 1.392 -2.017 -1.144) 2.705 4.436 ( -5.271 1.358 2.887) 6.161 4.465 ( 4.446 -5.278 0.600) 6.927 4.726 ( -2.006 1.233 2.132) 3.176 4.759 ( -0.116 -0.977 2.339) 2.537 4.893 ( 3.026 3.429 -2.460) 5.193 4.940 ( -2.220 -4.097 4.282) 6.328 5.058 ( -3.080 -5.710 1.826) 6.740 5.071 ( -2.708 -2.245 -3.004) 4.626 5.114 ( -3.603 -3.671 -2.701) 5.810 5.287 ( -0.179 3.951 2.601) 4.734 5.406 ( -4.651 3.694 2.055) 6.285 5.464 ( 1.411 2.990 2.941) 4.425 5.500 ( -1.355 3.089 3.100) 4.582 5.568 ( 2.676 -0.918 -3.451) 4.463 5.614 ( -1.497 -3.278 -3.981) 5.369 5.820 ( 3.573 -2.874 -1.430) 4.803 5.863 ( 1.825 0.827 -8.101) 8.345 6.092 ( -4.235 -2.408 2.335) 5.402 6.118 ( -1.797 -4.459 4.241) 6.411 6.195 ( -2.468 5.688 -4.762) 7.818 6.258 ( -4.783 3.164 -1.567) 5.945 6.334 ( -0.705 1.402 2.370) 2.842 6.454 ( -1.355 0.491 -0.123) 1.446 6.570 ( -1.654 6.801 2.553) 7.450 6.646 ( 1.970 1.940 1.528) 3.159 7.377 ( 1.625 -0.315 0.484) 1.724 7.425 ( 3.572 2.112 0.212) 4.155 7.496 ( 4.533 1.784 2.903) 5.671 7.558 ( 4.246 1.920 -1.073) 4.782 7.693 ( -2.541 -0.319 5.197) 5.794 7.789 ( -1.241 2.748 -0.821) 3.125 7.834 ( 1.017 -0.635 1.313) 1.778 7.861 ( -1.053 -1.003 -0.447) 1.521 9.397 ( 2.744 -2.030 -0.282) 3.425 9.449 ( 5.373 -0.828 0.278) 5.443 9.720 ( 3.609 -2.428 1.678) 4.662 9.798 ( 4.209 -3.150 -2.043) 5.640 9.934 ( 0.858 1.347 0.380) 1.642 9.939 ( 2.185 1.665 1.595) 3.177 10.379 ( -0.878 -0.991 -1.353) 1.893 10.492 ( 2.455 -2.898 -2.874) 4.763 11.404 ( -0.053 0.042 0.557) 0.561 11.476 ( 1.369 -0.050 -1.939) 2.374 11.545 ( -2.035 0.638 -0.577) 2.209 11.576 ( -1.105 -1.238 0.352) 1.696 11.772 ( 3.362 3.327 1.659) 5.013 11.850 ( 4.077 1.995 -0.496) 4.566 12.309 ( 0.695 -3.514 1.635) 3.938 12.379 ( 1.710 -2.894 -1.065) 3.526 13.160 ( 1.506 7.188 3.365) 8.078 13.224 ( 0.260 10.837 -3.982) 11.548 14.142 ( -2.159 0.305 -2.089) 3.019 14.257 ( 4.661 -0.006 -4.106) 6.211 14.444 ( -5.327 -3.725 8.239) 10.495 14.772 ( 2.599 -8.412 -4.956) 10.104 14.951 ( 2.588 -1.223 10.953) 11.321 15.209 ( 1.895 0.464 -8.207) 8.436 15.989 ( -1.684 2.159 4.037) 4.878 16.083 ( -0.879 -0.915 -1.907) 2.290 16.136 ( -0.549 -6.291 5.450) 8.342 16.208 ( -1.334 -5.301 -1.639) 5.707 16.492 ( -3.267 -6.297 -1.071) 7.174 16.551 ( -1.633 -2.928 1.494) 3.671 16.594 ( 0.779 -3.034 -1.704) 3.566 16.663 ( 2.311 -2.044 -1.487) 3.424 19.879 ( 0.647 6.770 2.560) 7.266 19.918 ( -1.709 4.251 -2.492) 5.216 20.516 ( 1.096 -4.587 3.323) 5.769 20.566 ( -0.061 -6.893 -2.083) 7.201 21.052 ( 1.261 13.604 3.767) 14.172 21.158 ( 0.985 14.916 -3.518) 15.357 22.407 ( -3.394 -3.170 -0.122) 4.646 22.534 ( -0.985 -5.160 -4.779) 7.102 25.473 ( 0.310 12.327 1.626) 12.438 25.597 ( 4.979 18.469 -1.485) 19.186 28.582 ( -4.114 -25.693 8.707) 27.438 29.013 ( 5.648 -29.344 -12.250) 32.296 29.708 ( -8.976 7.022 12.353) 16.808 30.104 ( -0.024 2.208 0.019) 2.208 30.212 ( -2.117 0.522 0.510) 2.239 30.405 ( 3.834 8.275 -12.877) 15.780 31.210 ( -3.035 1.381 8.988) 9.587 31.458 ( -1.039 -2.825 -5.119) 5.938 31.872 ( -3.028 -8.280 2.379) 9.131 32.040 ( 3.582 -6.328 -3.090) 7.901 32.352 ( -3.539 8.610 0.366) 9.316 32.518 ( 0.961 2.921 -0.875) 3.197 33.049 ( 1.185 0.854 -0.578) 1.571 33.082 ( 3.365 1.906 0.842) 3.958 36.590 ( -1.455 -0.988 0.022) 1.759 36.635 ( 0.795 -2.516 -0.785) 2.753 36.727 ( -1.445 -6.939 1.067) 7.167 36.876 ( 1.914 -4.776 -4.872) 7.085 37.057 ( -1.837 0.923 4.028) 4.522 37.161 ( 1.750 0.182 1.606) 2.382 37.316 ( -2.268 5.527 6.558) 8.872 37.612 ( 4.385 9.699 -6.450) 12.446 ======================= Grid point 95 (40/90) ======================= q-point: (-0.25 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -21.371 13.209 8.062) 26.386 1.140 ( -21.528 17.833 2.782) 28.093 1.749 ( -17.138 16.518 9.202) 25.519 2.084 ( 4.710 -1.875 0.877) 5.145 2.278 ( -10.575 5.659 4.922) 12.964 2.291 ( -3.440 0.472 1.070) 3.634 2.493 ( 0.328 1.442 -0.232) 1.497 2.519 ( -1.929 1.503 -6.261) 6.722 2.617 ( -4.609 -1.161 5.706) 7.426 2.900 ( 6.187 -3.650 -11.749) 13.771 2.959 ( -5.270 7.413 -2.456) 9.420 3.175 ( -4.831 -0.128 -3.312) 5.858 3.309 ( 2.662 0.464 2.923) 3.980 3.383 ( 0.469 -4.113 -5.366) 6.777 3.497 ( -3.590 -3.658 0.649) 5.166 3.604 ( -6.021 1.497 -5.674) 8.407 3.722 ( -3.645 1.430 2.923) 4.886 3.878 ( -3.254 2.654 -1.285) 4.391 4.037 ( -0.307 6.037 -0.930) 6.116 4.141 ( -0.560 -0.047 1.435) 1.542 4.242 ( 5.293 -1.957 -6.652) 8.723 4.307 ( -5.808 -0.710 2.497) 6.362 4.365 ( -1.068 -0.426 0.273) 1.182 4.468 ( 2.384 -3.268 1.519) 4.321 4.589 ( 2.021 -2.399 2.978) 4.326 4.694 ( -3.018 1.033 1.407) 3.486 4.753 ( 0.332 -3.089 -0.725) 3.190 4.861 ( -2.405 -0.340 -3.265) 4.069 4.964 ( -3.005 -5.805 -1.004) 6.613 5.010 ( -3.636 -5.365 3.761) 7.493 5.045 ( 6.442 2.475 0.030) 6.901 5.094 ( 0.026 -3.554 2.543) 4.370 5.259 ( -3.484 5.301 0.374) 6.354 5.363 ( -3.098 -0.365 -0.456) 3.153 5.428 ( -2.395 5.957 -3.375) 7.253 5.498 ( -3.805 -1.593 -0.823) 4.206 5.599 ( 1.430 5.294 5.039) 7.447 5.635 ( 2.575 -0.912 -0.232) 2.742 5.762 ( -2.451 -6.564 -2.828) 7.556 5.843 ( 3.332 1.957 -4.013) 5.571 6.015 ( -5.211 -2.929 1.253) 6.107 6.075 ( -3.367 1.537 -4.948) 6.179 6.180 ( 0.242 -0.995 4.255) 4.377 6.215 ( -1.140 5.849 1.059) 6.052 6.367 ( -3.514 -1.583 2.467) 4.576 6.377 ( -4.840 0.188 0.782) 4.907 6.506 ( -1.698 6.765 -1.130) 7.065 6.768 ( 3.631 -3.264 4.663) 6.751 7.409 ( 1.419 0.297 0.411) 1.507 7.477 ( 2.695 2.419 -1.178) 3.809 7.616 ( 5.071 0.718 -0.040) 5.121 7.632 ( 5.334 0.294 3.000) 6.127 7.674 ( -1.417 -0.625 0.709) 1.703 7.777 ( -0.942 1.629 0.336) 1.912 7.834 ( -0.972 -0.328 -0.279) 1.063 7.881 ( 1.263 1.793 1.787) 2.829 9.447 ( 4.328 -0.490 -1.027) 4.475 9.558 ( 5.834 -1.103 0.898) 6.005 9.807 ( 4.622 -1.605 1.569) 5.138 9.873 ( 5.910 -0.887 -1.304) 6.116 9.938 ( 1.690 1.140 -1.518) 2.542 9.993 ( 2.750 0.319 -0.339) 2.789 10.361 ( -0.491 -1.041 0.271) 1.183 10.498 ( 1.558 -3.122 -2.557) 4.325 11.417 ( 0.944 0.141 0.478) 1.068 11.474 ( 0.361 -0.369 -1.165) 1.274 11.514 ( -1.411 0.755 0.098) 1.604 11.560 ( -0.818 -1.281 0.170) 1.529 11.860 ( 5.054 2.849 0.654) 5.838 11.912 ( 4.377 1.909 -0.966) 4.872 12.344 ( 1.742 -2.334 1.197) 3.148 12.397 ( 1.950 -2.579 -1.348) 3.503 13.228 ( 7.021 17.733 -1.393) 19.123 13.238 ( 1.785 6.893 1.794) 7.343 14.092 ( -1.613 1.013 -1.240) 2.273 14.265 ( 2.003 -1.228 -3.709) 4.391 14.471 ( -2.722 -5.169 7.077) 9.177 14.787 ( 3.024 -9.563 -0.020) 10.030 15.057 ( 0.368 -0.691 2.193) 2.329 15.167 ( 2.002 -1.997 -4.245) 5.101 15.985 ( -3.478 1.332 3.360) 5.016 16.065 ( -0.034 -0.327 -0.326) 0.463 16.154 ( -2.395 -5.846 -0.268) 6.323 16.174 ( -1.384 -7.140 2.134) 7.580 16.398 ( -4.558 -4.638 -2.944) 7.138 16.510 ( -2.661 -4.446 -0.801) 5.243 16.611 ( 1.252 -2.491 0.563) 2.844 16.701 ( 2.351 -1.515 -0.052) 2.797 19.860 ( -1.902 4.743 -1.896) 5.451 19.933 ( 3.069 9.001 1.674) 9.656 20.536 ( 0.388 -7.020 -2.041) 7.321 20.574 ( 0.799 -4.895 2.760) 5.676 21.112 ( 1.313 12.288 1.058) 12.403 21.132 ( 0.707 13.677 -2.359) 13.897 22.332 ( -5.232 -3.208 -0.025) 6.137 22.475 ( -1.521 -4.020 -2.164) 4.812 25.502 ( 1.080 11.787 1.451) 11.925 25.719 ( 13.164 25.942 -2.326) 29.184 28.508 ( -6.864 -22.189 -2.612) 23.373 29.039 ( 3.061 -35.624 -2.416) 35.837 29.646 ( -9.152 8.079 8.463) 14.855 30.096 ( -2.201 1.231 1.003) 2.714 30.142 ( -3.025 0.193 -3.366) 4.530 30.391 ( 2.054 4.841 -2.479) 5.813 31.227 ( -4.332 -1.087 6.042) 7.513 31.406 ( -0.041 -1.532 -3.371) 3.703 31.819 ( -3.910 -8.820 0.164) 9.649 32.054 ( -2.213 -14.351 -0.147) 14.521 32.315 ( -0.872 9.957 0.703) 10.019 32.506 ( -1.315 4.457 -0.560) 4.681 33.049 ( 1.025 -0.174 -1.332) 1.689 33.186 ( 7.149 5.374 0.547) 8.960 36.567 ( -1.471 -1.901 0.224) 2.414 36.640 ( 0.353 -2.230 -0.644) 2.348 36.711 ( -1.789 -6.753 1.520) 7.149 36.859 ( 1.828 -2.229 -4.395) 5.255 37.055 ( -1.693 0.694 1.826) 2.585 37.184 ( 0.645 5.708 -0.821) 5.802 37.371 ( -0.357 -0.135 7.586) 7.596 37.661 ( 8.079 11.076 -4.085) 14.305 ======================= Grid point 96 (41/90) ======================= q-point: (-0.12 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -20.378 15.904 6.859) 26.745 0.862 ( -16.614 18.943 14.067) 28.858 1.467 ( -25.188 31.826 16.140) 43.679 1.934 ( -13.918 8.335 -7.956) 18.069 2.108 ( -4.760 -4.540 -10.151) 12.096 2.315 ( -0.313 -1.479 3.127) 3.473 2.530 ( 2.285 0.077 5.086) 5.576 2.592 ( 7.792 4.090 6.979) 11.232 2.693 ( -4.686 3.597 4.517) 7.436 2.777 ( -6.834 1.321 2.683) 7.460 2.924 ( 8.201 -1.386 -10.634) 13.500 3.093 ( 3.546 0.378 -8.442) 9.164 3.244 ( -3.663 -2.888 -1.618) 4.938 3.331 ( -3.447 1.060 -8.606) 9.331 3.427 ( -5.314 -1.512 0.000) 5.525 3.605 ( 6.788 -5.182 0.802) 8.577 3.700 ( -2.359 0.952 3.688) 4.480 3.844 ( -0.172 3.937 1.151) 4.106 3.994 ( -2.875 2.398 -1.206) 3.933 4.114 ( -1.066 -1.935 -2.583) 3.399 4.255 ( -4.752 -0.769 0.227) 4.819 4.314 ( 8.826 -1.642 -2.403) 9.293 4.380 ( 4.220 1.491 -0.942) 4.574 4.499 ( 1.450 -2.463 0.107) 2.860 4.628 ( -0.327 -0.175 2.402) 2.430 4.638 ( -3.261 3.095 0.632) 4.540 4.757 ( -3.003 -2.540 0.845) 4.023 4.817 ( -2.351 -6.386 -1.220) 6.913 4.932 ( -2.286 -3.489 -0.265) 4.179 4.968 ( -0.453 -6.838 0.162) 6.855 5.099 ( -1.808 2.175 0.805) 2.941 5.162 ( 5.773 2.252 -1.929) 6.491 5.223 ( 2.266 3.100 -0.556) 3.880 5.286 ( -4.454 0.021 -2.550) 5.132 5.382 ( -3.978 6.269 -2.875) 7.962 5.397 ( -4.734 1.284 2.604) 5.553 5.580 ( 1.505 -1.375 -5.337) 5.713 5.665 ( -1.848 1.034 3.673) 4.240 5.790 ( -0.657 -2.682 1.888) 3.345 5.872 ( 4.030 -0.187 -3.443) 5.304 5.993 ( 1.284 -1.497 5.415) 5.762 6.028 ( 1.115 -1.039 -0.316) 1.556 6.148 ( -10.194 -1.710 -6.320) 12.115 6.193 ( -0.999 2.677 1.273) 3.129 6.244 ( -3.304 3.451 4.686) 6.692 6.402 ( -1.526 -0.528 2.014) 2.582 6.514 ( 0.408 4.912 3.683) 6.153 6.804 ( -0.811 -5.447 -0.006) 5.507 7.427 ( 0.286 1.509 0.699) 1.687 7.500 ( 2.439 3.802 -1.641) 4.806 7.670 ( 0.456 0.233 -1.199) 1.304 7.675 ( 2.138 -0.335 -0.884) 2.338 7.715 ( 1.464 -1.009 -0.480) 1.841 7.755 ( -0.382 -0.352 -0.662) 0.842 7.830 ( -0.050 1.134 1.197) 1.650 7.894 ( -1.948 0.237 3.285) 3.826 9.510 ( 3.610 0.363 0.307) 3.641 9.636 ( 2.848 0.134 -0.096) 2.853 9.879 ( 2.098 -0.488 -0.719) 2.271 9.904 ( 1.725 2.866 -0.440) 3.374 10.013 ( 5.002 -0.526 -0.409) 5.046 10.020 ( 3.001 -0.650 -1.605) 3.464 10.369 ( -0.305 -1.574 2.312) 2.813 10.499 ( 1.417 -3.336 -2.053) 4.165 11.438 ( 1.017 0.293 0.119) 1.066 11.470 ( -0.414 0.058 0.400) 0.579 11.498 ( -0.670 -0.378 0.081) 0.773 11.556 ( 0.295 -1.124 -0.471) 1.253 11.927 ( 2.990 1.829 -0.179) 3.509 11.974 ( 3.587 2.318 -0.476) 4.297 12.382 ( 1.791 -1.722 0.154) 2.489 12.420 ( 1.935 -1.744 -0.387) 2.634 13.266 ( 0.666 7.524 -0.451) 7.567 13.387 ( 15.959 24.623 -11.494) 31.514 14.068 ( -0.238 0.722 -0.473) 0.895 14.297 ( 2.016 -2.055 2.695) 3.943 14.436 ( -2.772 -6.775 -1.236) 7.424 14.869 ( -0.648 -14.953 6.396) 16.277 15.000 ( 0.293 4.694 -4.183) 6.294 15.200 ( -2.206 -5.782 6.746) 9.154 15.938 ( -4.705 0.909 1.374) 4.986 16.062 ( -1.456 -4.512 0.724) 4.796 16.091 ( -1.925 -1.783 -3.637) 4.485 16.150 ( -2.591 -5.831 -0.191) 6.383 16.351 ( -1.072 -2.916 5.236) 6.089 16.475 ( -0.700 -5.077 0.062) 5.126 16.641 ( 2.305 -2.475 -0.118) 3.384 16.718 ( -0.488 -1.861 -0.200) 1.934 19.824 ( -0.613 5.250 -0.738) 5.337 20.003 ( 5.633 10.243 -4.954) 12.696 20.529 ( 0.999 -7.040 -0.895) 7.167 20.607 ( -0.307 -5.994 1.846) 6.279 21.073 ( -0.130 12.820 -1.938) 12.966 21.178 ( 0.765 11.510 2.768) 11.863 22.258 ( -3.481 -3.728 0.779) 5.159 22.446 ( -1.099 -3.938 -0.311) 4.101 25.530 ( 0.597 11.883 1.313) 11.970 25.962 ( 23.509 33.641 -17.835) 44.749 28.399 ( -0.477 -20.168 1.071) 20.202 28.943 ( -14.862 -32.339 0.952) 35.603 29.695 ( 4.012 -2.267 16.303) 16.941 30.045 ( -2.413 -1.119 -0.157) 2.665 30.097 ( -0.961 2.437 -0.942) 2.784 30.351 ( -10.283 0.333 4.829) 11.365 31.196 ( -3.620 -1.641 2.649) 4.776 31.385 ( 0.634 -0.452 -2.500) 2.618 31.773 ( -1.840 -11.305 1.584) 11.563 31.940 ( -10.570 -16.775 0.425) 19.832 32.329 ( -1.572 7.428 4.416) 8.783 32.487 ( 0.620 9.626 -1.101) 9.708 33.062 ( 1.327 0.382 0.110) 1.385 33.292 ( 6.453 4.724 -4.244) 9.054 36.548 ( -1.302 -3.034 0.572) 3.351 36.624 ( -0.445 -2.546 -1.978) 3.255 36.714 ( -0.221 -1.552 2.639) 3.069 36.854 ( 1.947 0.513 -2.729) 3.391 37.040 ( -1.487 1.177 0.520) 1.966 37.176 ( 0.200 6.940 -2.541) 7.393 37.433 ( -0.402 -2.679 6.204) 6.770 37.772 ( 9.619 8.159 -6.767) 14.314 ======================= Grid point 97 (42/90) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 7.169 23.711 5.676) 25.413 1.332 ( 0.539 21.449 16.430) 27.024 1.804 ( -3.204 5.685 -14.819) 16.192 2.014 ( 2.854 9.035 -3.695) 10.170 2.100 ( -8.333 25.116 9.542) 28.130 2.327 ( -4.744 8.846 -2.045) 10.244 2.485 ( -5.385 2.641 4.844) 7.709 2.659 ( 1.061 0.925 3.667) 3.928 2.794 ( -3.579 -2.987 1.035) 4.775 2.865 ( 7.172 -0.764 1.400) 7.348 2.997 ( 10.745 -0.547 -3.279) 11.248 3.121 ( 3.465 3.180 -4.084) 6.229 3.186 ( -5.788 -2.943 2.610) 6.999 3.191 ( -5.492 -3.150 0.048) 6.332 3.364 ( 8.608 -0.746 2.526) 9.002 3.489 ( -2.319 -7.980 -2.988) 8.831 3.760 ( 1.643 4.760 -2.042) 5.434 3.889 ( -2.219 -2.510 -2.262) 4.043 3.961 ( 3.238 -1.157 -1.843) 3.901 4.078 ( 1.029 3.311 -6.296) 7.187 4.204 ( -1.438 0.183 2.145) 2.589 4.332 ( 5.280 -3.606 -4.176) 7.637 4.380 ( -4.204 -4.255 0.077) 5.982 4.437 ( 1.988 -1.788 -3.376) 4.306 4.577 ( -2.323 -0.323 0.739) 2.459 4.612 ( -2.865 -1.649 -0.882) 3.422 4.664 ( 1.118 -4.632 2.744) 5.499 4.734 ( -0.103 3.124 2.842) 4.224 4.811 ( 1.674 -3.870 -1.947) 4.645 4.913 ( -2.727 2.575 -4.204) 5.634 5.133 ( 0.017 -3.662 4.402) 5.726 5.204 ( 1.112 1.378 -2.134) 2.773 5.292 ( 2.944 -2.035 -2.527) 4.381 5.316 ( -2.763 2.274 -2.396) 4.306 5.408 ( 0.622 4.227 1.786) 4.631 5.442 ( -0.638 5.129 -0.233) 5.173 5.591 ( -0.888 -0.821 2.721) 2.977 5.629 ( 2.528 -1.415 -0.321) 2.915 5.723 ( -8.533 -2.341 -4.848) 10.089 5.790 ( 0.729 0.140 -0.045) 0.744 5.927 ( 1.377 -2.351 -0.225) 2.734 6.024 ( -1.191 -1.131 3.269) 3.659 6.082 ( 5.967 -1.781 0.692) 6.266 6.244 ( 0.716 -0.303 -3.691) 3.772 6.380 ( 1.643 7.392 3.522) 8.351 6.400 ( -4.095 4.910 3.832) 7.455 6.625 ( 3.008 -1.580 6.204) 7.074 6.746 ( -3.695 -0.647 1.778) 4.152 7.473 ( -0.908 0.876 0.553) 1.378 7.552 ( 0.018 -0.754 -1.331) 1.530 7.608 ( -0.497 1.236 -1.925) 2.341 7.691 ( -0.800 0.625 1.259) 1.618 7.730 ( 0.678 -0.797 0.824) 1.332 7.776 ( 1.207 1.800 0.031) 2.168 7.871 ( 0.489 1.369 -0.461) 1.525 7.892 ( -1.396 0.081 -0.201) 1.413 9.582 ( -0.444 2.431 1.567) 2.926 9.675 ( -0.157 1.815 -1.445) 2.325 9.871 ( -0.777 -1.185 0.074) 1.419 9.962 ( 1.134 -0.004 -3.439) 3.621 10.029 ( 0.753 1.224 0.346) 1.478 10.057 ( -1.017 2.046 -0.191) 2.293 10.340 ( 0.576 -3.459 0.821) 3.602 10.403 ( 1.095 -4.747 -1.823) 5.202 11.430 ( -1.476 -0.977 -0.443) 1.825 11.463 ( 1.066 -1.950 -0.795) 2.360 11.488 ( -0.181 0.421 1.341) 1.417 11.520 ( -0.054 -1.072 0.575) 1.217 12.015 ( 0.633 3.552 0.595) 3.657 12.064 ( -0.166 3.503 -0.916) 3.624 12.348 ( -0.495 -3.232 0.511) 3.309 12.384 ( 0.468 -3.173 -0.870) 3.323 13.470 ( -1.911 13.242 1.313) 13.443 13.789 ( 1.159 17.092 -16.651) 23.890 14.091 ( 0.828 1.057 0.279) 1.371 14.192 ( -2.099 -1.219 -4.038) 4.712 14.428 ( 7.019 -7.519 6.384) 12.106 14.583 ( -5.834 -7.516 2.765) 9.908 14.959 ( -5.383 -11.246 4.847) 13.377 15.117 ( 4.820 -4.621 -0.137) 6.678 15.951 ( 0.209 -1.608 0.872) 1.841 15.976 ( -0.684 4.027 2.081) 4.585 16.062 ( -1.291 -0.313 -1.714) 2.168 16.140 ( 1.214 3.232 -2.277) 4.135 16.304 ( -0.283 -5.036 4.494) 6.756 16.370 ( 1.251 -5.549 1.725) 5.944 16.555 ( -0.272 -6.414 -0.304) 6.427 16.617 ( 0.340 -5.371 -1.666) 5.633 19.965 ( 0.789 6.972 1.240) 7.125 20.117 ( -0.541 5.332 -6.139) 8.149 20.435 ( 1.131 -4.783 1.004) 5.016 20.467 ( -1.726 -4.975 0.452) 5.286 21.379 ( 3.557 12.281 1.912) 12.928 21.421 ( -3.069 11.759 1.012) 12.195 22.148 ( 1.644 -6.402 2.634) 7.115 22.292 ( -0.862 -7.426 -2.414) 7.856 25.900 ( -0.668 20.308 4.412) 20.793 26.452 ( 0.027 20.309 -22.482) 30.297 28.046 ( 6.986 -28.918 3.714) 29.981 28.115 ( -4.406 -27.546 3.927) 28.172 29.948 ( -4.870 4.353 14.518) 15.919 30.061 ( 0.402 0.962 1.554) 1.871 30.128 ( -0.598 1.624 -1.014) 2.006 30.264 ( 3.995 1.103 -1.057) 4.277 31.171 ( -0.668 -0.390 2.745) 2.852 31.344 ( -0.019 -1.785 -3.709) 4.116 31.535 ( -3.966 -9.169 2.584) 10.319 31.601 ( 4.644 -10.235 0.858) 11.272 32.542 ( -0.890 10.374 2.739) 10.766 32.691 ( 0.247 9.050 -2.612) 9.423 33.103 ( 0.819 -0.622 3.379) 3.532 33.292 ( -0.360 -2.538 -3.626) 4.440 36.476 ( -0.384 -2.687 1.436) 3.071 36.560 ( 0.077 -3.079 -1.471) 3.413 36.769 ( 1.602 1.775 0.685) 2.487 36.890 ( 3.097 0.803 -4.845) 5.806 37.082 ( -2.530 3.698 3.496) 5.684 37.262 ( -2.683 4.266 -2.322) 5.548 37.433 ( -3.102 0.650 6.974) 7.661 37.807 ( 3.199 -1.468 -8.167) 8.893 ======================= Grid point 98 (43/90) ======================= q-point: ( 0.12 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.764 20.731 6.622) 21.777 1.593 ( 7.407 12.602 8.078) 16.702 1.733 ( 8.134 13.024 -3.042) 15.653 1.958 ( 4.918 11.980 -11.596) 17.383 2.240 ( 3.924 2.503 6.611) 8.085 2.369 ( 10.727 10.431 8.713) 17.314 2.467 ( 0.001 14.787 2.784) 15.047 2.695 ( -2.346 2.806 -0.721) 3.728 2.778 ( 1.789 -0.705 2.951) 3.522 2.889 ( -0.066 -4.333 -4.276) 6.088 3.019 ( -6.018 4.866 0.612) 7.763 3.077 ( -2.255 -4.029 -0.510) 4.645 3.135 ( 4.619 -1.099 -6.905) 8.380 3.314 ( 6.799 -3.355 2.466) 7.973 3.347 ( 0.723 -2.156 -2.850) 3.647 3.603 ( 8.993 -0.846 -0.447) 9.044 3.751 ( 1.135 0.471 -0.841) 1.489 3.868 ( 1.487 -3.636 -1.534) 4.217 4.036 ( 5.782 -1.001 -3.560) 6.863 4.057 ( 5.247 2.507 -2.005) 6.151 4.161 ( -4.583 -2.123 -1.268) 5.208 4.321 ( -0.326 -0.945 -1.068) 1.463 4.395 ( 1.796 0.121 -2.207) 2.848 4.448 ( 2.867 -1.737 2.055) 3.932 4.516 ( -2.568 -0.323 -0.188) 2.595 4.610 ( 1.943 -0.971 1.052) 2.414 4.696 ( -1.133 -5.125 0.095) 5.249 4.747 ( -1.946 -1.101 -0.419) 2.275 4.824 ( 1.481 -2.614 -1.121) 3.207 4.891 ( 4.442 2.023 1.557) 5.124 5.118 ( -5.400 -1.129 0.445) 5.534 5.179 ( -4.844 0.436 -1.904) 5.223 5.229 ( 0.303 -1.919 0.187) 1.952 5.274 ( 1.575 1.729 -3.529) 4.234 5.462 ( 3.000 3.522 -0.187) 4.630 5.498 ( -1.275 -0.539 1.735) 2.219 5.543 ( 2.730 3.948 0.354) 4.813 5.620 ( -2.224 -2.323 -0.118) 3.218 5.765 ( 7.574 -0.667 4.394) 8.782 5.815 ( 3.746 0.691 -2.474) 4.542 5.967 ( 2.545 -0.629 1.242) 2.901 6.010 ( -3.257 -2.123 0.005) 3.888 6.174 ( 5.402 -0.788 -1.696) 5.716 6.233 ( 2.704 -0.526 -3.289) 4.290 6.385 ( -1.317 4.179 3.143) 5.393 6.466 ( 3.183 7.164 4.380) 8.980 6.668 ( -5.430 -0.092 -0.987) 5.520 6.739 ( 2.678 -2.152 6.155) 7.049 7.453 ( -2.226 0.297 1.121) 2.510 7.532 ( -0.792 0.229 -0.933) 1.246 7.591 ( -0.892 1.626 -0.497) 1.920 7.676 ( -3.328 2.229 2.117) 4.530 7.704 ( -1.727 0.930 -1.847) 2.694 7.790 ( -0.433 1.761 -1.502) 2.354 7.843 ( -0.898 -0.110 0.505) 1.036 7.903 ( 0.383 -1.545 -0.257) 1.612 9.550 ( -5.184 1.512 1.237) 5.540 9.626 ( -3.955 1.435 -1.051) 4.336 9.834 ( -4.021 -1.134 0.799) 4.254 9.912 ( -3.821 -2.217 -2.336) 4.997 10.018 ( -1.598 4.955 -0.634) 5.245 10.029 ( -1.971 1.065 0.158) 2.246 10.360 ( 0.855 -4.358 0.656) 4.489 10.411 ( 2.053 -4.412 -1.931) 5.235 11.403 ( -1.447 -1.039 0.414) 1.829 11.466 ( 0.393 -2.383 -1.127) 2.665 11.510 ( 1.190 0.411 1.174) 1.722 11.537 ( 1.510 0.174 0.582) 1.628 11.995 ( -4.197 3.471 0.097) 5.447 12.025 ( -2.704 3.531 -0.783) 4.516 12.312 ( -3.998 -3.544 0.199) 5.347 12.371 ( -1.156 -3.343 -0.490) 3.571 13.430 ( -4.443 14.857 1.228) 15.555 13.650 ( -1.657 17.789 -6.804) 19.117 14.126 ( -0.214 0.282 -1.864) 1.897 14.138 ( 2.339 -0.982 0.116) 2.539 14.505 ( -3.616 -6.626 -0.114) 7.549 14.581 ( 3.830 -8.653 3.968) 10.261 14.885 ( -8.153 -8.477 2.624) 12.050 15.190 ( 3.957 -9.298 -0.778) 10.135 15.973 ( 0.892 -0.955 1.380) 1.901 15.990 ( 0.319 2.565 0.111) 2.587 16.024 ( -1.431 0.709 0.154) 1.604 16.141 ( 1.455 2.465 -2.242) 3.636 16.342 ( 0.109 -5.575 2.948) 6.308 16.402 ( 1.080 -5.416 -0.103) 5.524 16.532 ( -0.862 -5.031 -0.263) 5.112 16.626 ( 1.315 -6.350 -0.787) 6.532 20.002 ( 1.602 6.596 1.836) 7.032 20.041 ( -1.671 7.110 -4.091) 8.372 20.430 ( -1.289 -3.590 -0.419) 3.837 20.474 ( 0.737 -5.025 0.995) 5.176 21.350 ( -3.856 12.292 -0.653) 12.899 21.479 ( 4.054 12.323 1.791) 13.096 22.227 ( 3.073 -6.493 1.908) 7.433 22.279 ( 3.658 -8.203 -1.910) 9.182 25.923 ( -3.139 21.389 5.954) 22.423 26.206 ( -5.221 23.036 -13.506) 27.210 27.983 ( -5.910 -25.401 -0.753) 26.090 28.297 ( 10.907 -36.140 2.131) 37.810 29.850 ( -13.188 8.763 5.446) 16.745 30.082 ( 0.223 2.222 -0.462) 2.280 30.127 ( 2.981 1.098 0.129) 3.180 30.485 ( 14.082 -4.563 1.947) 14.930 31.187 ( -1.419 1.524 3.040) 3.685 31.317 ( 1.778 -2.782 -3.089) 4.521 31.526 ( 0.703 -9.473 0.788) 9.531 31.749 ( 10.694 -11.829 1.235) 15.994 32.555 ( -1.031 10.454 2.925) 10.905 32.658 ( -0.847 8.262 -2.444) 8.657 33.137 ( -1.244 -0.575 3.407) 3.672 33.219 ( -3.438 -0.992 -3.937) 5.320 36.490 ( 0.149 -2.479 1.453) 2.878 36.544 ( -0.122 -3.101 -1.439) 3.421 36.797 ( 0.908 0.642 0.864) 1.408 36.874 ( 1.564 0.349 -5.927) 6.140 37.045 ( -5.312 3.710 2.520) 6.952 37.237 ( -2.324 1.587 4.157) 5.020 37.386 ( -5.348 4.709 0.903) 7.182 37.811 ( 4.341 -0.170 -4.388) 6.175 ======================= Grid point 99 (44/90) ======================= q-point: ( 0.25 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 3.155 16.674 6.194) 18.065 1.720 ( 10.065 7.480 -4.391) 13.287 1.946 ( 10.665 19.887 4.068) 22.930 1.995 ( 5.337 7.772 1.457) 9.540 2.210 ( -7.885 5.366 3.490) 10.156 2.484 ( -2.091 0.122 -0.688) 2.205 2.634 ( -4.199 3.710 -0.604) 5.636 2.711 ( 5.885 -4.401 1.069) 7.426 2.749 ( 0.022 4.951 3.967) 6.344 2.912 ( 5.206 4.813 -2.488) 7.513 2.955 ( 0.861 1.380 -7.157) 7.340 3.062 ( 5.181 2.819 -0.034) 5.898 3.171 ( 12.221 -2.858 -2.868) 12.875 3.415 ( 5.705 2.585 -0.038) 6.264 3.481 ( 8.634 2.392 3.388) 9.578 3.641 ( 1.741 -1.616 -5.394) 5.894 3.799 ( 1.482 -4.367 4.486) 6.434 3.883 ( 3.651 -3.970 -3.954) 6.688 4.048 ( -1.624 2.397 -4.426) 5.289 4.068 ( -2.274 0.474 0.844) 2.472 4.200 ( 7.561 -0.150 -0.630) 7.588 4.324 ( 3.905 0.545 0.752) 4.014 4.380 ( 0.566 -0.239 -2.931) 2.995 4.493 ( 0.582 -0.119 0.134) 0.609 4.568 ( -5.058 -3.011 1.683) 6.122 4.600 ( 1.016 -5.247 3.515) 6.397 4.670 ( -1.215 -2.613 0.990) 3.047 4.695 ( 1.074 0.451 -0.713) 1.366 4.899 ( 3.696 -2.323 -1.465) 4.605 4.919 ( 3.378 -2.536 0.223) 4.229 5.093 ( -0.615 0.129 -2.634) 2.708 5.128 ( 0.475 -0.623 0.031) 0.784 5.213 ( -2.102 0.755 0.866) 2.396 5.337 ( 7.929 -0.050 -0.214) 7.932 5.464 ( -1.501 -1.058 0.198) 1.847 5.510 ( 0.018 1.422 1.578) 2.124 5.543 ( -0.268 2.592 -0.879) 2.750 5.638 ( -0.717 -1.515 1.616) 2.328 5.832 ( 1.366 0.907 -1.340) 2.118 5.898 ( 0.230 1.247 0.862) 1.533 5.958 ( 1.666 -1.188 0.621) 2.139 6.076 ( 7.368 -0.786 2.559) 7.839 6.226 ( 4.161 2.184 -2.278) 5.222 6.261 ( 3.876 -0.229 -2.327) 4.527 6.412 ( 1.964 1.175 0.718) 2.398 6.551 ( 1.142 6.047 0.989) 6.233 6.592 ( -0.632 2.076 1.060) 2.415 6.805 ( -0.703 -0.663 2.648) 2.819 7.431 ( -2.489 0.573 2.224) 3.387 7.505 ( -1.552 0.667 -1.494) 2.256 7.556 ( -3.462 1.232 0.493) 3.707 7.620 ( -4.812 3.126 1.435) 5.914 7.663 ( -1.172 1.052 -0.764) 1.750 7.759 ( 0.362 0.669 -2.489) 2.603 7.856 ( -1.051 -2.234 2.014) 3.187 7.877 ( -2.195 1.173 -0.157) 2.494 9.446 ( -7.589 0.674 0.154) 7.620 9.538 ( -6.009 -0.282 0.236) 6.020 9.755 ( -6.918 -2.804 1.108) 7.546 9.809 ( -5.738 -4.217 -0.946) 7.184 9.984 ( -2.954 3.259 0.054) 4.399 9.999 ( -0.193 5.783 -0.449) 5.804 10.375 ( 0.336 -4.726 0.066) 4.739 10.425 ( 1.906 -3.728 -2.288) 4.771 11.393 ( -0.670 -0.827 0.883) 1.383 11.458 ( 0.221 -1.683 -1.263) 2.116 11.546 ( 1.906 0.691 0.663) 2.133 11.572 ( 2.018 0.694 0.173) 2.141 11.907 ( -5.570 3.265 0.214) 6.460 11.959 ( -4.365 3.979 -0.721) 5.950 12.243 ( -4.289 -4.107 0.690) 5.978 12.337 ( -2.165 -4.018 -0.514) 4.593 13.366 ( -4.348 14.773 1.570) 15.479 13.605 ( -0.333 15.923 -1.001) 15.958 14.090 ( -0.438 -0.004 -1.743) 1.797 14.223 ( 4.258 -3.067 3.270) 6.183 14.433 ( -1.742 -3.157 -5.037) 6.195 14.657 ( 1.176 -10.786 1.796) 10.998 14.771 ( -7.995 -3.419 3.828) 9.501 15.219 ( 0.718 -12.496 -1.169) 12.571 15.971 ( -0.626 -0.662 -1.527) 1.778 15.997 ( 0.025 1.869 1.496) 2.394 16.040 ( 0.645 0.439 2.329) 2.456 16.145 ( 1.747 1.725 -1.875) 3.089 16.364 ( 0.168 -5.370 1.076) 5.479 16.406 ( 1.009 -5.089 -1.356) 5.362 16.538 ( 1.431 -5.145 -0.459) 5.360 16.628 ( -0.561 -6.293 0.005) 6.318 19.987 ( -0.745 7.951 -1.807) 8.188 20.054 ( 1.700 5.991 1.658) 6.444 20.402 ( -1.182 -2.703 -0.938) 3.096 20.491 ( 0.017 -4.794 0.980) 4.893 21.295 ( -1.954 13.073 -0.139) 13.219 21.535 ( 1.682 14.846 -0.122) 14.942 22.262 ( 2.874 -8.345 -1.543) 8.960 22.371 ( 5.542 -7.738 0.748) 9.547 25.903 ( -5.262 21.808 4.251) 22.833 26.052 ( -2.929 22.832 -4.871) 23.529 27.895 ( -3.178 -25.252 -1.173) 25.478 28.439 ( 4.944 -40.486 -0.386) 40.788 29.743 ( -3.963 12.766 3.331) 13.776 30.078 ( 0.722 1.431 -0.906) 1.841 30.189 ( 3.508 2.135 0.120) 4.109 30.660 ( 6.856 -4.549 -1.753) 8.413 31.178 ( -2.221 3.734 2.310) 4.920 31.360 ( 5.278 -3.609 -0.734) 6.436 31.556 ( 1.884 -9.520 0.182) 9.707 31.927 ( 9.369 -12.296 -0.608) 15.471 32.559 ( -1.149 10.578 1.095) 10.696 32.631 ( -0.295 7.600 -0.371) 7.615 33.089 ( -4.740 -0.655 -3.154) 5.731 33.153 ( -3.048 -0.631 2.297) 3.869 36.503 ( 0.064 -3.220 0.530) 3.264 36.538 ( 0.469 -2.942 0.038) 2.979 36.806 ( 0.548 -0.448 -2.789) 2.877 36.835 ( 0.918 -0.638 -5.088) 5.210 36.992 ( -4.203 3.511 4.171) 6.883 37.196 ( -9.649 -2.368 7.749) 12.599 37.371 ( 3.914 9.073 -1.502) 9.994 37.830 ( 1.518 1.200 -2.510) 3.169 ======================= Grid point 100 (45/90) ======================= q-point: ( 0.38 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 6.632 14.224 8.871) 18.027 1.817 ( 0.410 9.930 2.275) 10.196 1.984 ( -4.038 9.336 0.314) 10.177 2.101 ( 6.456 4.331 -3.384) 8.479 2.274 ( 5.220 14.007 8.427) 17.160 2.441 ( 0.469 -3.694 -3.428) 5.062 2.529 ( -6.289 4.510 -5.276) 9.366 2.590 ( -1.960 0.339 -3.757) 4.252 2.751 ( -7.866 4.548 4.710) 10.234 2.947 ( 6.113 -0.272 -7.984) 10.059 3.083 ( 10.441 2.072 -1.838) 10.802 3.206 ( 8.071 3.433 5.191) 10.191 3.355 ( 6.417 1.893 -2.527) 7.152 3.467 ( 2.167 -1.631 1.538) 3.118 3.582 ( 2.068 -2.993 -5.374) 6.489 3.683 ( 7.316 4.865 3.300) 9.385 3.871 ( -0.387 -5.606 4.465) 7.177 3.907 ( 1.574 -5.392 0.717) 5.663 3.982 ( 1.477 -1.312 -2.563) 3.236 4.066 ( 1.952 3.680 -1.642) 4.478 4.220 ( -1.385 2.990 -4.453) 5.540 4.330 ( -1.118 -2.785 -0.487) 3.040 4.364 ( -4.818 -3.933 -5.074) 8.027 4.456 ( 0.429 1.239 1.137) 1.735 4.553 ( -2.885 -5.214 -0.459) 5.977 4.638 ( 5.897 -1.592 6.457) 8.888 4.742 ( 3.830 0.988 3.412) 5.223 4.812 ( 7.755 -0.599 4.499) 8.985 4.897 ( -3.302 -1.379 -6.635) 7.538 4.990 ( 2.499 -4.621 -1.875) 5.578 5.063 ( 1.828 -4.904 -1.570) 5.465 5.073 ( 2.439 1.920 -1.386) 3.400 5.242 ( 0.632 0.675 3.569) 3.687 5.414 ( -0.944 0.799 -2.437) 2.733 5.446 ( -7.028 -1.909 0.094) 7.283 5.516 ( 3.071 -2.012 -0.379) 3.691 5.550 ( 3.935 3.109 3.046) 5.867 5.631 ( -0.043 3.760 0.906) 3.868 5.828 ( -3.296 2.373 2.235) 4.635 5.910 ( 4.677 1.708 -2.048) 5.384 6.005 ( 1.240 1.770 0.541) 2.228 6.151 ( -1.004 -2.999 1.220) 3.389 6.291 ( 5.304 2.826 -2.299) 6.435 6.325 ( 3.769 -0.188 2.057) 4.298 6.443 ( 1.597 0.656 -2.195) 2.792 6.552 ( 2.724 5.130 -0.904) 5.878 6.644 ( 1.710 3.449 -0.560) 3.890 6.765 ( -3.677 1.208 -0.894) 3.973 7.414 ( -2.076 0.738 1.942) 2.937 7.444 ( -4.673 2.462 0.724) 5.332 7.499 ( -2.669 2.734 0.408) 3.843 7.585 ( -1.657 -0.777 -0.419) 1.877 7.661 ( 0.423 3.871 2.390) 4.569 7.735 ( -1.864 -2.079 0.488) 2.835 7.835 ( -0.681 -1.638 0.212) 1.786 7.867 ( -0.881 0.581 0.745) 1.292 9.338 ( -5.179 -0.220 0.542) 5.212 9.444 ( -5.007 -1.822 -0.270) 5.335 9.647 ( -6.166 -4.252 0.701) 7.523 9.721 ( -3.978 -5.846 -0.808) 7.117 9.949 ( -1.586 4.482 0.983) 4.855 10.001 ( 0.346 6.121 0.350) 6.141 10.374 ( -0.213 -4.285 -0.294) 4.301 10.425 ( 1.445 -3.039 -3.007) 4.513 11.395 ( -0.276 -0.474 1.138) 1.263 11.452 ( 0.587 -0.955 -1.138) 1.597 11.575 ( 1.333 0.833 -0.784) 1.756 11.600 ( 1.505 0.853 -0.559) 1.818 11.838 ( -3.781 3.482 1.431) 5.336 11.886 ( -3.096 4.017 -0.501) 5.096 12.197 ( -2.612 -4.746 1.680) 5.672 12.300 ( -1.403 -4.639 -0.619) 4.886 13.327 ( -2.639 13.835 2.253) 14.264 13.583 ( -0.834 14.514 -2.660) 14.779 14.087 ( 0.367 -0.436 1.494) 1.599 14.311 ( 1.847 -4.170 0.275) 4.569 14.367 ( 1.461 -1.744 -4.671) 5.195 14.627 ( -2.933 -8.290 -1.036) 8.854 14.755 ( -2.965 -2.853 8.246) 9.215 15.198 ( -0.616 -12.801 -2.625) 13.082 15.958 ( 0.085 -1.372 0.203) 1.390 16.008 ( -0.493 2.221 1.867) 2.944 16.066 ( -0.035 -1.033 1.459) 1.788 16.163 ( 1.993 0.837 -1.092) 2.421 16.374 ( 0.272 -5.136 0.511) 5.168 16.421 ( 1.647 -4.943 0.052) 5.211 16.547 ( 0.974 -5.823 -2.266) 6.324 16.612 ( -1.156 -5.680 -0.271) 5.802 19.976 ( 0.308 7.849 0.013) 7.855 20.083 ( 0.468 5.818 0.128) 5.838 20.384 ( -0.117 -2.147 0.036) 2.151 20.492 ( -0.671 -4.619 0.296) 4.677 21.285 ( -0.461 13.750 1.682) 13.860 21.539 ( 0.494 16.495 -2.095) 16.635 22.298 ( 2.468 -8.458 -0.485) 8.824 22.440 ( 2.953 -7.689 -1.354) 8.348 25.857 ( -3.934 21.321 2.723) 21.851 25.986 ( -1.387 22.697 -2.155) 22.841 27.872 ( -0.175 -26.098 2.512) 26.220 28.453 ( 0.236 -39.934 -4.514) 40.189 29.782 ( 1.133 12.042 7.304) 14.130 30.092 ( 1.225 1.022 0.407) 1.646 30.233 ( 2.198 2.537 -0.855) 3.464 30.684 ( 2.126 -2.065 -7.349) 7.924 31.182 ( -1.090 3.798 4.247) 5.801 31.436 ( 4.026 -3.468 -1.675) 5.572 31.590 ( 1.513 -9.319 2.080) 9.668 32.013 ( 3.483 -9.617 -3.811) 10.915 32.551 ( 0.239 9.320 -0.198) 9.325 32.632 ( -0.218 7.499 0.022) 7.503 32.995 ( -2.839 -1.177 -1.054) 3.249 33.121 ( -3.065 -0.979 1.052) 3.385 36.508 ( 0.195 -3.998 0.550) 4.040 36.557 ( 0.579 -2.883 1.510) 3.305 36.757 ( -0.096 -0.362 -6.167) 6.178 36.808 ( 1.474 -2.812 -5.239) 6.126 37.001 ( -1.902 2.948 7.231) 8.037 37.124 ( -7.089 -1.412 6.326) 9.605 37.432 ( 3.027 8.517 0.918) 9.085 37.808 ( -0.193 2.524 -3.756) 4.529 ======================= Grid point 101 (46/90) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -12.243 11.555 11.507) 20.392 1.796 ( 2.258 10.436 5.716) 12.111 1.973 ( 3.475 14.246 0.207) 14.665 2.193 ( 4.066 5.833 -1.207) 7.212 2.306 ( -4.711 2.407 3.062) 6.112 2.359 ( -2.164 -0.740 -7.566) 7.904 2.372 ( -1.674 1.691 -9.117) 9.422 2.680 ( 5.979 -0.012 4.852) 7.700 2.715 ( -2.008 13.968 5.299) 15.074 2.946 ( 5.517 -1.137 -12.777) 13.964 3.187 ( 1.499 -0.618 -1.181) 2.005 3.258 ( 1.033 3.133 0.481) 3.334 3.384 ( -6.975 -1.146 0.003) 7.068 3.495 ( 6.378 5.737 4.587) 9.728 3.608 ( -2.921 -4.474 -2.102) 5.742 3.743 ( -0.091 -2.785 -0.513) 2.834 3.843 ( -4.061 -1.252 1.965) 4.682 3.997 ( 5.675 -2.000 4.614) 7.583 4.060 ( 1.268 -1.246 3.565) 3.984 4.099 ( -0.149 1.757 0.013) 1.763 4.144 ( 7.056 -0.224 -7.058) 9.982 4.252 ( -2.258 -2.838 -3.907) 5.331 4.336 ( 1.348 -1.110 -0.529) 1.825 4.414 ( -2.949 -0.996 -3.112) 4.401 4.566 ( 4.096 -5.273 1.198) 6.783 4.645 ( -13.047 0.357 -5.408) 14.128 4.771 ( 1.155 -2.757 4.924) 5.760 4.808 ( -1.018 -0.822 2.252) 2.604 4.919 ( 2.089 -4.856 -0.226) 5.291 5.050 ( 1.950 -2.550 -1.441) 3.519 5.063 ( 1.482 -4.572 -1.985) 5.200 5.143 ( 0.569 3.837 -3.400) 5.158 5.276 ( -1.285 1.521 5.439) 5.792 5.355 ( 2.545 -0.683 -0.854) 2.770 5.388 ( 0.980 -1.343 2.673) 3.148 5.564 ( 0.514 2.395 0.713) 2.551 5.622 ( -0.528 -1.381 0.579) 1.588 5.649 ( 1.284 5.654 2.000) 6.133 5.792 ( -2.490 2.732 1.525) 3.999 5.927 ( -0.090 -0.002 -3.953) 3.954 6.048 ( 2.501 3.791 3.200) 5.555 6.115 ( -3.896 -2.414 0.881) 4.667 6.328 ( 1.022 2.485 -0.898) 2.834 6.365 ( -2.156 0.633 1.301) 2.597 6.446 ( 3.118 3.438 -3.622) 5.887 6.525 ( -3.150 3.698 -6.981) 8.505 6.629 ( -0.890 2.559 1.725) 3.212 6.732 ( -0.869 1.374 -0.910) 1.863 7.391 ( -1.718 2.480 0.843) 3.133 7.420 ( 0.029 1.607 2.349) 2.846 7.492 ( 1.211 3.027 0.419) 3.287 7.554 ( 0.757 0.469 -1.959) 2.152 7.689 ( -2.641 0.263 4.199) 4.967 7.756 ( 2.670 0.051 3.690) 4.555 7.837 ( 0.739 -1.649 -0.610) 1.907 7.850 ( -1.338 -0.098 -0.381) 1.395 9.306 ( 0.186 -1.255 1.504) 1.968 9.389 ( -0.204 -1.803 -1.325) 2.247 9.600 ( -0.191 -4.416 1.032) 4.539 9.673 ( -0.049 -6.475 -1.502) 6.647 9.951 ( -0.015 4.182 1.850) 4.573 10.014 ( 0.508 5.965 0.534) 6.010 10.363 ( -0.557 -3.495 -0.724) 3.613 10.419 ( 1.618 -2.983 -3.034) 4.552 11.405 ( -0.385 0.096 1.374) 1.430 11.458 ( 1.414 -0.652 -0.767) 1.736 11.571 ( -0.211 0.275 -1.606) 1.643 11.597 ( -0.997 0.237 -1.388) 1.725 11.814 ( -0.790 3.931 1.735) 4.369 11.867 ( 1.126 3.908 0.051) 4.068 12.192 ( -0.502 -4.906 2.380) 5.476 12.285 ( 0.476 -4.899 -0.765) 4.981 13.327 ( -0.373 13.308 2.971) 13.640 13.529 ( -0.413 14.061 -4.914) 14.901 14.127 ( 1.259 -0.752 2.777) 3.140 14.280 ( 0.379 0.779 -4.396) 4.481 14.379 ( -1.108 -4.357 1.052) 4.617 14.594 ( 0.964 -8.687 -2.809) 9.181 14.800 ( -2.324 -3.694 9.972) 10.886 15.162 ( 0.627 -11.027 -4.163) 11.803 15.978 ( 0.966 -1.996 1.818) 2.868 16.017 ( -0.679 0.441 1.510) 1.713 16.068 ( -1.178 -0.008 1.341) 1.785 16.177 ( 0.859 -0.032 -1.085) 1.384 16.383 ( -0.475 -5.714 1.168) 5.851 16.456 ( 1.048 -4.847 1.807) 5.278 16.527 ( 0.404 -5.585 -3.521) 6.615 16.585 ( -0.689 -5.459 -1.794) 5.787 19.993 ( 0.987 7.598 1.333) 7.777 20.070 ( -1.076 5.793 -1.471) 6.073 20.403 ( 1.268 -2.137 1.621) 2.967 20.475 ( -0.953 -4.505 -0.855) 4.684 21.307 ( -0.024 14.146 3.375) 14.544 21.516 ( 0.197 16.267 -3.654) 16.674 22.325 ( 0.377 -7.272 0.710) 7.316 22.440 ( -0.182 -7.903 -3.051) 8.474 25.833 ( -2.428 21.330 2.584) 21.623 25.970 ( 2.787 22.451 -2.310) 22.741 27.934 ( 1.369 -27.474 7.032) 28.392 28.378 ( -0.895 -37.468 -8.761) 38.489 29.878 ( -1.816 10.134 11.419) 15.375 30.120 ( 0.758 1.184 1.601) 2.131 30.247 ( 0.619 2.211 -0.777) 2.424 30.603 ( 0.352 -0.165 -12.089) 12.095 31.218 ( -0.913 3.293 5.689) 6.637 31.436 ( -0.309 -3.922 -3.559) 5.305 31.654 ( 1.192 -8.709 4.984) 10.105 31.974 ( -1.123 -7.380 -7.056) 10.272 32.561 ( -0.149 8.480 0.583) 8.501 32.614 ( -0.057 6.452 -1.633) 6.656 32.999 ( 2.672 -0.982 1.928) 3.438 33.079 ( -1.934 -1.274 -0.905) 2.487 36.524 ( 0.530 -4.044 1.601) 4.382 36.573 ( -1.248 -2.592 2.137) 3.583 36.698 ( 0.282 -0.856 -5.741) 5.811 36.787 ( 3.451 -3.468 -6.591) 8.208 37.057 ( -0.860 1.815 7.237) 7.511 37.095 ( -3.497 -0.699 6.035) 7.010 37.474 ( -0.137 8.425 2.564) 8.808 37.764 ( 1.208 3.447 -5.805) 6.859 ======================= Grid point 102 (47/90) ======================= q-point: (-0.38 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -15.379 12.977 6.631) 21.187 1.781 ( -11.849 14.167 0.456) 18.474 2.070 ( 0.758 14.124 6.911) 15.742 2.128 ( -5.309 5.003 -1.530) 7.454 2.286 ( 6.257 2.632 -7.915) 10.428 2.305 ( -2.213 -0.662 9.478) 9.756 2.431 ( 11.538 -0.939 -3.095) 11.982 2.665 ( -4.470 6.600 -2.776) 8.441 2.816 ( 0.116 6.417 5.188) 8.253 2.866 ( 0.232 -0.740 -12.286) 12.311 3.120 ( -3.977 -0.079 0.081) 3.979 3.294 ( 2.964 6.520 -0.524) 7.181 3.350 ( -4.026 -0.494 3.824) 5.575 3.405 ( -14.680 -7.913 -1.979) 16.794 3.575 ( -1.146 -0.480 -3.041) 3.285 3.678 ( -5.379 4.905 1.503) 7.434 3.840 ( -2.498 1.006 2.930) 3.979 3.961 ( -5.142 -1.912 -2.666) 6.099 4.088 ( 0.770 -0.897 1.441) 1.863 4.151 ( 4.365 -0.229 -4.057) 5.963 4.202 ( 3.582 2.000 0.450) 4.127 4.284 ( 2.273 -0.908 -3.558) 4.318 4.359 ( 1.638 -3.950 -1.170) 4.433 4.377 ( 2.300 -0.601 -2.090) 3.165 4.446 ( -1.978 -1.114 2.493) 3.372 4.670 ( 3.397 -6.001 2.318) 7.275 4.745 ( -6.303 0.130 2.259) 6.697 4.810 ( -2.786 -4.943 5.891) 8.179 4.931 ( 0.188 -5.164 -1.506) 5.383 4.981 ( -1.920 -3.971 0.118) 4.412 5.031 ( -5.365 3.498 -5.816) 8.651 5.076 ( -1.088 -1.177 -3.759) 4.087 5.345 ( 1.565 0.919 4.188) 4.564 5.433 ( 5.220 -3.131 -1.307) 6.225 5.473 ( 2.941 0.079 5.262) 6.028 5.520 ( -3.951 4.171 -3.138) 6.546 5.557 ( -4.981 -0.610 0.032) 5.019 5.673 ( -1.853 4.725 2.745) 5.770 5.801 ( 0.715 1.392 1.727) 2.331 5.863 ( -1.881 -0.792 -4.902) 5.310 6.048 ( -4.931 -1.077 1.096) 5.165 6.121 ( 0.482 2.605 3.870) 4.690 6.283 ( -4.947 2.185 -1.430) 5.594 6.334 ( -0.224 3.497 0.094) 3.505 6.395 ( -3.447 4.517 -4.792) 7.433 6.454 ( -1.159 0.694 -1.050) 1.711 6.652 ( -0.667 -1.152 2.894) 3.185 6.680 ( -2.279 2.939 -1.504) 4.012 7.394 ( 0.917 1.881 0.855) 2.261 7.473 ( 3.833 2.066 0.768) 4.422 7.543 ( 4.141 2.125 1.012) 4.763 7.572 ( 2.636 -0.669 -1.711) 3.213 7.677 ( -3.094 -0.452 3.843) 4.954 7.824 ( 0.407 0.432 -0.005) 0.594 7.829 ( -0.523 -0.780 -0.635) 1.134 7.862 ( 3.844 1.815 1.707) 4.581 9.360 ( 4.188 -1.040 0.972) 4.424 9.424 ( 5.856 -0.965 -0.771) 5.985 9.657 ( 5.110 -3.626 1.303) 6.400 9.700 ( 5.246 -5.590 -1.370) 7.788 9.979 ( 0.980 3.013 1.722) 3.606 10.025 ( 0.651 5.780 -0.218) 5.820 10.342 ( -0.656 -2.802 -1.153) 3.100 10.419 ( 1.498 -3.540 -2.320) 4.490 11.408 ( -0.334 0.411 1.034) 1.162 11.475 ( 1.121 -0.223 -0.998) 1.517 11.546 ( -1.399 -0.868 -0.454) 1.708 11.554 ( -2.138 -0.314 -0.948) 2.360 11.848 ( 3.045 3.830 1.442) 5.101 11.910 ( 3.728 3.617 -0.551) 5.224 12.224 ( 1.420 -4.516 2.309) 5.267 12.298 ( 2.163 -4.638 -1.190) 5.254 13.373 ( 1.551 13.010 3.824) 13.649 13.506 ( 4.067 15.539 -3.855) 16.518 14.150 ( -0.797 0.411 0.309) 0.948 14.265 ( 2.393 0.808 -4.582) 5.232 14.357 ( -3.872 -4.222 4.692) 7.405 14.582 ( 1.474 -9.086 -3.570) 9.873 14.876 ( -0.805 -6.963 10.011) 12.221 15.136 ( 1.836 -8.129 -5.675) 10.082 15.999 ( -0.996 -2.334 0.225) 2.547 16.030 ( 1.417 -1.441 1.801) 2.707 16.059 ( -2.398 1.153 2.470) 3.631 16.172 ( 0.279 0.874 -1.498) 1.756 16.363 ( -3.073 -5.895 0.415) 6.661 16.461 ( -2.260 -5.385 -0.485) 5.860 16.512 ( 1.074 -4.729 -0.984) 4.948 16.577 ( 2.226 -5.824 -1.303) 6.370 20.027 ( -1.626 6.301 -1.488) 6.676 20.034 ( 1.701 7.049 1.658) 7.439 20.443 ( 0.220 -3.163 0.009) 3.171 20.450 ( 0.427 -4.097 0.301) 4.130 21.347 ( 0.210 14.176 4.315) 14.820 21.473 ( -0.483 14.563 -4.783) 15.335 22.314 ( -2.992 -5.616 0.468) 6.381 22.390 ( -1.744 -8.377 -2.306) 8.862 25.826 ( -0.915 20.701 1.656) 20.787 26.049 ( 9.209 23.473 -1.054) 25.237 28.028 ( -0.177 -27.179 8.062) 28.350 28.268 ( -0.215 -36.832 -10.244) 38.230 29.922 ( -6.620 9.674 10.967) 16.053 30.142 ( -0.261 1.970 1.884) 2.738 30.228 ( -3.171 0.998 -0.513) 3.363 30.488 ( 1.420 0.129 -11.974) 12.059 31.244 ( -2.888 2.083 4.645) 5.853 31.388 ( -0.898 -3.265 -2.485) 4.201 31.697 ( -2.895 -8.345 5.535) 10.424 31.861 ( -3.175 -9.677 -7.622) 12.720 32.541 ( -1.521 9.130 -0.138) 9.256 32.629 ( 2.077 6.844 0.023) 7.153 33.043 ( -0.157 -1.312 -2.068) 2.454 33.099 ( 5.956 -0.948 2.002) 6.354 36.542 ( -2.213 -4.054 1.630) 4.898 36.564 ( -0.280 -2.288 1.678) 2.851 36.660 ( 1.464 -0.409 -4.391) 4.647 36.798 ( 5.304 -2.414 -5.886) 8.283 37.076 ( -2.459 0.957 4.404) 5.135 37.154 ( 1.393 -0.421 6.686) 6.843 37.472 ( -3.413 7.833 2.894) 9.021 37.751 ( 4.362 3.655 -5.591) 7.978 ======================= Grid point 103 (48/90) ======================= q-point: (-0.25 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -12.583 17.393 2.722) 21.639 1.503 ( -18.699 16.619 -0.061) 25.017 2.018 ( -4.419 4.424 0.228) 6.257 2.183 ( 2.994 10.833 9.005) 14.401 2.286 ( -3.752 0.934 -0.014) 3.867 2.435 ( 0.317 5.408 4.936) 7.329 2.501 ( -0.922 7.455 -5.259) 9.170 2.610 ( 9.395 -2.499 -2.210) 9.970 2.687 ( -13.304 10.479 1.551) 17.006 2.833 ( 1.336 -0.021 -1.422) 1.951 3.052 ( -14.913 -0.087 -4.147) 15.479 3.135 ( -2.480 -4.534 -0.158) 5.170 3.308 ( -3.324 -2.499 -1.872) 4.561 3.350 ( 3.309 4.301 -0.469) 5.447 3.447 ( -6.721 0.009 -0.236) 6.725 3.604 ( -7.774 -0.432 -2.760) 8.261 3.792 ( -2.162 3.363 -0.117) 4.000 3.907 ( -1.118 0.808 1.168) 1.807 4.118 ( 0.743 -0.544 -0.901) 1.289 4.157 ( -4.555 1.669 -3.924) 6.239 4.185 ( 6.632 -2.117 -6.917) 9.814 4.271 ( -2.188 -2.701 2.477) 4.269 4.356 ( 2.721 -0.779 1.245) 3.092 4.425 ( 0.093 -0.852 3.296) 3.405 4.547 ( 2.795 -0.222 0.760) 2.904 4.659 ( 0.080 -2.885 2.102) 3.570 4.740 ( -0.666 -0.262 0.142) 0.729 4.803 ( -2.437 -5.778 1.252) 6.395 4.872 ( -7.859 -3.838 0.449) 8.758 4.904 ( -2.458 -0.513 -4.056) 4.771 5.011 ( 3.625 -4.830 1.118) 6.142 5.065 ( 5.430 -1.392 0.708) 5.650 5.358 ( -2.198 2.533 0.119) 3.356 5.406 ( -3.416 3.610 -5.808) 7.644 5.451 ( -0.276 -0.263 0.101) 0.394 5.507 ( -2.568 0.591 0.052) 2.636 5.590 ( 3.953 -1.557 4.186) 5.965 5.677 ( -2.972 -1.034 2.483) 4.008 5.731 ( -5.127 4.252 -0.481) 6.678 5.852 ( 2.753 -1.259 -1.477) 3.368 5.994 ( -3.850 0.716 2.185) 4.485 6.060 ( -6.953 -0.210 -1.467) 7.109 6.251 ( 0.247 3.247 -2.684) 4.220 6.303 ( -4.449 -2.126 -0.547) 4.961 6.362 ( 0.147 5.215 5.268) 7.414 6.396 ( -3.720 3.674 -0.312) 5.238 6.579 ( -3.410 -0.183 -2.136) 4.028 6.714 ( 0.177 -0.467 3.829) 3.862 7.428 ( 1.900 1.443 0.940) 2.565 7.530 ( 2.437 0.873 -0.375) 2.616 7.598 ( 2.032 -2.177 0.111) 2.980 7.624 ( 3.996 0.089 0.229) 4.003 7.676 ( -0.312 0.911 2.108) 2.318 7.793 ( -1.626 -0.294 -2.388) 2.904 7.847 ( 1.820 1.984 0.806) 2.811 7.926 ( 1.710 1.958 0.160) 2.605 9.448 ( 5.756 1.023 0.057) 5.847 9.544 ( 7.795 -0.029 0.367) 7.804 9.761 ( 5.699 -2.848 0.794) 6.420 9.814 ( 8.850 -3.999 -0.584) 9.730 10.008 ( 1.022 2.002 0.385) 2.280 10.033 ( 1.061 5.690 -0.817) 5.845 10.325 ( -0.274 -2.631 -0.431) 2.680 10.417 ( 0.702 -4.051 -1.892) 4.526 11.422 ( 0.839 0.285 0.882) 1.251 11.468 ( 0.136 -0.235 -1.836) 1.856 11.519 ( -2.126 -0.191 0.664) 2.235 11.524 ( -1.233 -1.878 0.659) 2.342 11.928 ( 4.517 3.657 0.608) 5.844 11.967 ( 4.443 3.215 -1.077) 5.589 12.278 ( 2.641 -3.844 1.476) 4.891 12.329 ( 3.006 -3.934 -1.358) 5.133 13.431 ( 1.448 11.794 2.420) 12.126 13.621 ( 13.022 18.593 -1.714) 22.764 14.124 ( -1.679 2.008 -0.284) 2.633 14.242 ( 1.144 -0.569 -4.688) 4.859 14.343 ( -3.380 -6.718 2.235) 7.845 14.591 ( 1.128 -8.319 1.598) 8.546 14.957 ( -1.168 -10.230 9.255) 13.845 15.099 ( 1.089 -4.658 -7.179) 8.626 15.977 ( -1.160 -2.704 -0.485) 2.982 16.027 ( -3.696 1.008 1.503) 4.115 16.073 ( 1.192 -0.471 1.302) 1.827 16.160 ( 0.305 2.396 -1.803) 3.014 16.308 ( -3.490 -4.354 0.653) 5.618 16.398 ( -3.200 -5.998 -1.466) 6.954 16.528 ( 1.291 -5.132 -0.301) 5.300 16.615 ( 2.098 -6.283 0.291) 6.630 19.982 ( -1.647 6.564 -1.174) 6.868 20.094 ( 3.455 6.448 1.084) 7.395 20.416 ( -0.277 -4.605 -2.064) 5.054 20.484 ( 0.360 -3.917 1.992) 4.409 21.389 ( -0.335 13.634 0.834) 13.664 21.413 ( -1.049 12.961 -1.205) 13.059 22.233 ( -5.501 -6.092 -1.062) 8.276 22.356 ( -1.596 -7.251 0.292) 7.430 25.837 ( 0.368 19.809 1.544) 19.873 26.254 ( 17.382 23.831 -2.286) 29.585 28.022 ( -3.467 -23.877 -3.797) 24.424 28.217 ( -1.116 -38.188 2.005) 38.257 29.884 ( -7.928 10.689 6.446) 14.787 30.112 ( -4.960 0.989 -2.555) 5.667 30.161 ( -0.879 1.286 -0.127) 1.563 30.431 ( -1.154 -0.587 -2.269) 2.612 31.211 ( -4.263 -0.225 1.856) 4.655 31.372 ( 0.251 -1.267 -0.458) 1.370 31.657 ( -5.544 -6.805 0.699) 8.805 31.736 ( -6.476 -14.126 -1.201) 15.586 32.527 ( -0.495 9.919 0.651) 9.953 32.666 ( 2.301 8.832 -0.000) 9.127 33.033 ( 1.207 -1.553 -1.411) 2.421 33.216 ( 6.157 -1.807 0.542) 6.440 36.504 ( -2.621 -3.231 0.561) 4.198 36.577 ( -0.160 -3.535 0.263) 3.549 36.671 ( 3.428 1.587 -1.372) 4.019 36.834 ( 5.241 -0.459 -4.694) 7.051 37.079 ( -1.718 1.567 3.075) 3.855 37.249 ( 2.928 -0.285 5.416) 6.163 37.425 ( -4.487 5.887 0.961) 7.464 37.791 ( 5.483 2.164 -3.589) 6.902 ======================= Grid point 104 (49/90) ======================= q-point: (-0.12 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -7.628 22.043 0.162) 23.326 1.302 ( -9.875 22.033 8.666) 25.653 1.962 ( -2.399 3.153 -2.079) 4.474 2.104 ( -9.104 12.951 -8.530) 17.983 2.266 ( -18.578 17.201 7.821) 26.499 2.344 ( 0.361 9.391 7.943) 12.305 2.519 ( -0.616 0.287 4.134) 4.189 2.660 ( 7.154 1.969 6.535) 9.887 2.729 ( -12.364 -0.815 1.333) 12.462 2.790 ( 6.387 -2.377 -6.187) 9.205 2.875 ( 7.096 -0.748 -3.586) 7.985 3.111 ( 2.800 1.041 -6.791) 7.419 3.244 ( -5.423 3.237 0.362) 6.325 3.298 ( -3.054 -3.316 -0.591) 4.547 3.397 ( -12.318 -2.873 -1.386) 12.724 3.478 ( 4.748 -5.709 1.000) 7.492 3.766 ( -0.277 4.541 -2.194) 5.051 3.912 ( -0.471 2.463 1.122) 2.748 4.025 ( -4.736 -1.140 -4.806) 6.843 4.095 ( 0.297 1.487 -1.670) 2.256 4.247 ( -2.409 -0.136 0.191) 2.420 4.268 ( 5.768 -1.925 -5.128) 7.955 4.377 ( 2.604 -2.322 1.009) 3.632 4.447 ( -0.434 -1.732 0.949) 2.022 4.606 ( 1.735 -2.126 2.199) 3.516 4.653 ( -2.130 -2.702 -2.159) 4.062 4.677 ( -5.266 -3.328 -0.058) 6.229 4.751 ( -5.587 -0.540 1.570) 5.829 4.809 ( 1.793 -5.915 -2.090) 6.524 4.913 ( 4.278 1.931 0.552) 4.726 5.082 ( 2.852 -3.062 1.795) 4.554 5.196 ( 6.315 -0.627 1.038) 6.430 5.278 ( -5.176 1.768 -3.129) 6.301 5.327 ( 1.442 4.101 -4.241) 6.073 5.445 ( -3.916 3.294 3.433) 6.162 5.489 ( 0.431 1.248 -0.597) 1.449 5.549 ( -3.052 -0.780 -3.041) 4.379 5.654 ( -1.354 -2.520 1.820) 3.390 5.768 ( -0.527 0.737 6.230) 6.296 5.851 ( -0.014 -2.148 -4.123) 4.649 5.957 ( -4.168 -3.345 0.927) 5.424 5.991 ( 1.449 0.631 2.863) 3.270 6.110 ( -9.276 -1.021 -5.515) 10.840 6.265 ( 0.650 0.607 -2.758) 2.898 6.349 ( -1.145 6.403 1.357) 6.645 6.426 ( -2.549 4.334 5.208) 7.239 6.543 ( -0.170 -1.423 3.391) 3.682 6.749 ( -0.567 0.206 3.726) 3.774 7.464 ( 1.145 1.703 0.805) 2.204 7.551 ( 1.153 -0.802 -0.766) 1.600 7.633 ( 1.412 -2.038 -1.453) 2.874 7.671 ( 1.220 -0.412 1.938) 2.327 7.699 ( 1.606 1.023 -0.635) 2.008 7.754 ( 0.175 0.106 -0.615) 0.649 7.878 ( 0.344 2.421 0.373) 2.473 7.918 ( -1.496 1.926 -0.604) 2.512 9.538 ( 4.119 2.464 0.847) 4.874 9.650 ( 4.483 1.211 -0.390) 4.660 9.846 ( 3.514 -2.154 0.455) 4.146 9.933 ( 6.196 -2.106 -2.114) 6.877 10.018 ( 0.651 0.893 -0.749) 1.335 10.048 ( 1.452 4.798 -0.110) 5.014 10.327 ( 0.221 -2.911 0.581) 2.976 10.408 ( 0.503 -4.520 -1.669) 4.844 11.444 ( 0.893 0.047 -0.280) 0.937 11.456 ( 0.415 -1.282 -1.207) 1.809 11.494 ( -2.187 0.043 1.601) 2.710 11.518 ( -0.496 -1.969 0.864) 2.206 11.984 ( 2.679 3.580 -0.358) 4.486 12.037 ( 3.974 3.451 -0.381) 5.277 12.328 ( 2.032 -3.269 0.424) 3.872 12.366 ( 2.579 -3.413 -0.815) 4.355 13.467 ( 0.461 11.923 1.482) 12.023 13.819 ( 14.663 17.345 -11.587) 25.497 14.099 ( -0.598 2.290 -1.204) 2.655 14.251 ( 1.489 -1.869 1.728) 2.949 14.288 ( -1.800 -7.006 0.005) 7.233 14.624 ( -2.272 -8.936 4.321) 10.183 14.991 ( -4.527 -11.832 4.962) 13.606 15.061 ( 2.221 -1.787 -1.784) 3.363 15.955 ( -0.991 -2.657 -0.179) 2.841 15.983 ( -2.630 3.557 1.514) 4.676 16.086 ( -0.095 -0.316 -0.557) 0.647 16.148 ( 0.612 3.346 -2.178) 4.039 16.281 ( -2.049 -3.851 3.370) 5.512 16.353 ( -1.046 -6.144 0.342) 6.242 16.546 ( 1.395 -5.856 -0.647) 6.054 16.633 ( -0.065 -6.093 -0.306) 6.101 19.957 ( -0.581 6.981 -0.019) 7.005 20.146 ( 3.192 4.892 -3.237) 6.678 20.407 ( 0.882 -4.931 -0.125) 5.010 20.491 ( -1.536 -4.957 1.210) 5.329 21.344 ( -0.260 12.878 -1.704) 12.993 21.436 ( -1.059 12.696 3.342) 13.171 22.149 ( -3.469 -6.458 0.324) 7.337 22.330 ( -1.766 -7.180 -0.396) 7.404 25.865 ( 0.501 19.627 2.546) 19.798 26.501 ( 18.097 19.847 -14.231) 30.396 27.935 ( -0.156 -23.778 -1.594) 23.832 28.197 ( -7.453 -33.376 6.213) 34.758 29.844 ( -2.412 9.651 7.466) 12.438 30.043 ( -0.686 0.564 -0.521) 1.029 30.147 ( -1.118 2.272 -0.135) 2.536 30.356 ( -8.353 -0.490 1.984) 8.599 31.170 ( -2.288 -0.568 1.695) 2.904 31.370 ( 0.537 -0.961 -1.972) 2.259 31.571 ( -3.103 -8.284 -0.827) 8.885 31.627 ( -7.720 -12.277 2.975) 14.805 32.532 ( -0.614 10.241 1.870) 10.428 32.695 ( 1.774 9.723 -1.463) 9.991 33.057 ( 1.738 -1.224 1.151) 2.417 33.293 ( 3.512 -3.017 -1.663) 4.920 36.478 ( -1.383 -2.998 0.927) 3.429 36.571 ( 0.102 -3.261 -1.053) 3.428 36.726 ( 3.174 2.291 0.276) 3.924 36.871 ( 4.489 0.828 -4.241) 6.230 37.081 ( -1.436 2.577 2.588) 3.924 37.340 ( -0.370 8.394 -2.591) 8.792 37.364 ( -1.209 -3.761 7.260) 8.265 37.829 ( 3.717 -0.925 -5.484) 6.689 ======================= Grid point 105 (50/90) ======================= q-point: ( 0.00 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 7.914 21.543 -0.178) 22.951 1.746 ( 0.052 16.872 6.862) 18.214 1.943 ( 0.629 7.373 -5.843) 9.428 2.156 ( -3.175 5.242 -0.228) 6.133 2.312 ( -0.607 1.763 0.566) 1.949 2.432 ( -4.974 -0.764 -7.395) 8.945 2.628 ( 3.143 -3.324 3.064) 5.506 2.683 ( -2.250 -4.600 7.116) 8.767 2.797 ( -5.830 11.608 7.844) 15.174 2.810 ( 5.084 1.469 -3.545) 6.370 2.954 ( 1.231 -3.697 -4.737) 6.134 3.127 ( -4.541 -1.072 8.551) 9.741 3.161 ( 0.396 -0.506 1.168) 1.333 3.238 ( 3.781 5.393 -3.626) 7.519 3.314 ( 6.861 -4.775 -1.033) 8.423 3.371 ( -5.001 -1.819 1.432) 5.510 3.831 ( 1.035 0.321 -3.314) 3.487 3.874 ( 1.539 3.561 -7.830) 8.738 3.950 ( 0.154 0.696 -0.278) 0.765 4.094 ( -5.058 -1.763 -2.865) 6.074 4.235 ( 3.029 1.635 0.015) 3.442 4.273 ( 2.930 -1.910 -3.593) 5.014 4.336 ( -3.231 -1.678 3.282) 4.902 4.366 ( 1.215 -3.487 -0.814) 3.781 4.556 ( 0.314 -0.339 -0.599) 0.757 4.602 ( -0.014 0.832 1.289) 1.535 4.624 ( 0.931 0.853 0.013) 1.262 4.715 ( 1.008 -4.032 -2.297) 4.748 4.820 ( 2.316 3.040 3.488) 5.174 4.984 ( 0.029 -3.807 0.939) 3.922 5.049 ( -6.930 3.859 -2.625) 8.355 5.203 ( -0.888 -3.112 -1.525) 3.577 5.247 ( 2.612 0.761 -1.669) 3.192 5.340 ( -0.990 -0.836 -4.903) 5.071 5.493 ( 1.546 2.829 2.334) 3.980 5.531 ( -0.497 3.573 0.039) 3.607 5.562 ( 4.453 -1.779 6.130) 7.783 5.590 ( -2.591 -0.921 -1.295) 3.039 5.647 ( -4.400 -4.200 -1.092) 6.180 5.761 ( 1.727 -3.699 1.403) 4.317 5.917 ( -0.221 1.360 -0.292) 1.408 6.007 ( -2.301 -1.060 1.242) 2.822 6.071 ( 3.439 1.541 0.059) 3.769 6.205 ( 1.668 -2.911 -2.728) 4.324 6.475 ( -2.442 2.536 4.053) 5.369 6.547 ( 0.353 3.298 2.234) 3.999 6.594 ( 0.209 2.627 5.726) 6.303 6.747 ( -1.600 -0.263 -0.021) 1.622 7.474 ( -1.303 -0.120 0.317) 1.347 7.524 ( -0.373 -1.540 1.413) 2.123 7.623 ( 0.137 0.472 -0.375) 0.618 7.700 ( 0.694 -0.697 0.718) 1.217 7.727 ( 0.323 1.316 -0.670) 1.511 7.792 ( 2.649 -0.437 1.329) 2.996 7.905 ( -1.060 1.533 -1.783) 2.579 7.910 ( -1.029 1.245 -3.558) 3.907 9.657 ( -0.616 4.545 1.025) 4.700 9.726 ( -0.013 3.171 -1.317) 3.433 9.832 ( -0.348 -2.645 0.689) 2.755 9.906 ( 0.454 -4.214 -1.736) 4.581 10.061 ( 0.035 2.325 1.206) 2.619 10.153 ( 0.513 5.300 -2.110) 5.727 10.238 ( -0.445 -5.477 1.013) 5.587 10.329 ( 1.449 -3.021 -2.273) 4.049 11.408 ( -1.004 -0.870 -0.999) 1.662 11.421 ( 0.283 -1.682 -1.080) 2.019 11.496 ( -0.195 0.261 1.588) 1.621 11.507 ( 0.329 -0.395 1.558) 1.640 12.100 ( 0.424 4.462 0.390) 4.499 12.138 ( -0.165 3.589 -0.800) 3.681 12.275 ( -0.875 -3.675 0.392) 3.798 12.305 ( 0.869 -4.270 -0.902) 4.450 13.767 ( -1.170 14.530 3.108) 14.905 14.056 ( -0.081 6.491 -7.478) 9.903 14.118 ( -0.291 1.318 -0.680) 1.511 14.182 ( 1.041 0.121 -4.711) 4.826 14.335 ( 3.174 0.202 3.035) 4.396 14.474 ( -1.133 -2.411 -0.361) 2.688 14.708 ( -5.236 -11.513 6.142) 14.060 14.940 ( 2.430 -11.846 -3.423) 12.568 15.974 ( 0.898 3.420 -0.046) 3.536 16.069 ( -1.612 3.310 -1.992) 4.186 16.082 ( -1.304 2.887 1.672) 3.582 16.191 ( 0.115 -1.428 0.556) 1.537 16.225 ( 0.302 -0.079 1.713) 1.741 16.280 ( 1.823 -1.997 0.970) 2.873 16.418 ( -0.148 -6.692 -0.056) 6.694 16.483 ( 0.485 -7.065 -0.399) 7.093 20.103 ( 0.426 6.193 1.177) 6.319 20.208 ( -0.671 3.511 -3.341) 4.893 20.341 ( 1.543 -4.227 1.326) 4.691 20.378 ( -1.201 -3.763 0.041) 3.950 21.620 ( 3.099 10.778 1.534) 11.319 21.664 ( -3.355 11.513 0.200) 11.993 22.000 ( 2.148 -7.706 2.247) 8.309 22.112 ( -1.626 -9.655 -1.694) 9.936 26.357 ( -0.533 23.342 5.055) 23.889 26.818 ( -0.566 15.843 -13.810) 21.025 27.454 ( 2.654 -27.274 4.110) 27.709 27.607 ( -1.101 -21.596 -0.828) 21.640 30.045 ( -0.982 3.922 6.864) 7.966 30.085 ( 1.791 1.136 1.782) 2.770 30.165 ( -1.637 1.982 -1.213) 2.843 30.257 ( 0.884 -1.581 -1.782) 2.541 31.174 ( -0.094 0.742 1.522) 1.696 31.283 ( -0.223 -3.967 -3.188) 5.094 31.408 ( -3.538 -3.062 2.048) 5.108 31.446 ( 3.727 -4.723 1.486) 6.197 32.744 ( -0.202 8.746 1.574) 8.889 32.861 ( -0.254 6.778 -3.213) 7.505 33.066 ( 0.759 -2.407 3.836) 4.592 33.205 ( -0.242 -5.372 -1.774) 5.662 36.438 ( -0.294 -0.827 1.519) 1.755 36.493 ( -0.340 -3.057 -0.083) 3.077 36.814 ( 2.622 2.420 -3.096) 4.725 36.892 ( 3.611 -0.705 -6.477) 7.449 37.160 ( -3.956 3.663 6.450) 8.407 37.280 ( -6.522 -1.627 6.258) 9.184 37.513 ( 1.681 5.910 -0.685) 6.183 37.744 ( 2.807 -4.271 -5.891) 7.799 ======================= Grid point 106 (51/90) ======================= q-point: ( 0.12 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.034 19.685 -0.116) 19.685 1.820 ( 3.091 10.077 -1.019) 10.590 1.994 ( 7.873 10.909 2.159) 13.625 2.172 ( 3.876 1.799 -1.080) 4.407 2.259 ( -1.614 6.087 -3.847) 7.379 2.455 ( 8.712 -3.252 1.422) 9.407 2.632 ( -3.766 -0.450 -1.491) 4.076 2.689 ( -2.445 -2.466 5.424) 6.440 2.800 ( -1.267 0.203 1.060) 1.664 2.887 ( 5.130 6.119 2.181) 8.277 2.962 ( 5.602 -4.497 -2.156) 7.500 3.086 ( -2.542 0.303 6.317) 6.816 3.195 ( -4.301 1.885 -2.567) 5.352 3.304 ( 5.679 3.182 -1.551) 6.691 3.360 ( 10.607 3.716 0.308) 11.243 3.511 ( 9.486 -6.313 0.827) 11.424 3.739 ( -1.953 0.476 -6.070) 6.395 3.880 ( 0.451 2.038 -3.286) 3.893 3.997 ( 5.108 -0.794 1.157) 5.297 4.060 ( 3.048 -1.938 0.550) 3.653 4.202 ( -1.692 4.196 -4.235) 6.197 4.302 ( 1.187 -0.967 -0.680) 1.675 4.343 ( 2.388 -3.914 0.208) 4.589 4.385 ( 0.931 -4.059 2.915) 5.083 4.538 ( -1.896 2.030 -2.062) 3.459 4.623 ( 0.758 0.619 0.749) 1.232 4.641 ( 1.403 1.711 -2.717) 3.504 4.707 ( 0.445 -2.618 -1.011) 2.842 4.828 ( -5.643 1.579 -0.954) 5.936 4.940 ( 2.987 1.809 2.951) 4.572 5.042 ( -2.132 -4.421 3.872) 6.252 5.111 ( -3.611 -4.418 -1.230) 5.837 5.239 ( -1.100 2.130 -3.147) 3.956 5.322 ( 2.706 1.146 -2.745) 4.021 5.482 ( -3.462 -0.607 1.482) 3.814 5.516 ( -2.441 1.029 -1.164) 2.894 5.583 ( 1.350 0.302 1.887) 2.340 5.613 ( 3.315 2.212 -0.033) 3.985 5.759 ( 9.682 -0.448 3.884) 10.442 5.810 ( 3.701 -1.900 -1.450) 4.406 5.944 ( 3.286 -0.819 0.444) 3.415 5.988 ( -2.559 -0.366 1.578) 3.029 6.139 ( 5.509 -0.752 -1.272) 5.704 6.217 ( 3.895 -1.740 -3.828) 5.732 6.478 ( -2.326 3.720 4.038) 5.963 6.577 ( 0.525 -0.170 2.198) 2.266 6.649 ( -0.798 2.735 4.197) 5.072 6.725 ( 0.198 -0.119 0.704) 0.741 7.457 ( -1.752 0.498 1.254) 2.212 7.517 ( -1.644 -1.406 0.823) 2.315 7.610 ( -0.944 0.546 -0.808) 1.357 7.688 ( -2.353 -2.299 -0.652) 3.354 7.736 ( -0.738 3.596 2.444) 4.411 7.823 ( 0.021 1.193 -1.741) 2.111 7.854 ( -1.133 1.022 -2.731) 3.128 7.885 ( 0.914 -0.921 -1.087) 1.692 9.612 ( -6.108 4.229 1.064) 7.505 9.670 ( -5.106 2.848 -1.056) 5.942 9.794 ( -5.077 -2.845 0.718) 5.864 9.841 ( -6.053 -4.308 -1.357) 7.552 10.068 ( -0.851 2.728 1.255) 3.121 10.139 ( 0.540 5.942 -2.307) 6.397 10.247 ( 0.304 -5.587 1.001) 5.684 10.337 ( 2.155 -3.467 -2.260) 4.666 11.387 ( -0.675 -0.383 -0.225) 0.807 11.419 ( 0.521 -1.921 -0.758) 2.130 11.520 ( 1.412 0.474 1.228) 1.930 11.536 ( 1.715 -0.234 1.140) 2.073 12.070 ( -4.500 3.733 -0.190) 5.850 12.107 ( -2.291 4.233 -0.368) 4.828 12.233 ( -4.250 -3.922 0.130) 5.785 12.290 ( -1.708 -4.270 -0.560) 4.633 13.754 ( -4.078 15.657 2.820) 16.424 13.984 ( -0.478 12.782 -5.293) 13.842 14.119 ( 0.911 -0.656 -0.064) 1.124 14.140 ( -1.000 0.704 -2.807) 3.062 14.392 ( 1.035 -4.581 2.215) 5.193 14.454 ( -0.057 -1.807 -1.666) 2.459 14.678 ( -5.760 -10.352 5.911) 13.239 14.933 ( 0.686 -14.492 -3.116) 14.839 15.994 ( 0.815 2.801 -0.030) 2.917 16.026 ( 0.193 1.639 -2.197) 2.748 16.092 ( -0.935 4.238 3.304) 5.454 16.203 ( 0.928 1.475 -0.412) 1.791 16.245 ( -0.086 -2.604 1.640) 3.079 16.306 ( 1.509 -2.971 -1.302) 3.578 16.412 ( -0.766 -6.104 0.872) 6.213 16.489 ( 0.763 -6.566 -0.760) 6.653 20.133 ( 1.264 5.768 1.756) 6.161 20.164 ( -0.819 4.821 -2.559) 5.520 20.360 ( -0.357 -3.216 -0.829) 3.340 20.378 ( 1.069 -4.361 1.059) 4.613 21.601 ( -2.808 11.900 -0.903) 12.260 21.717 ( 5.198 10.389 2.347) 11.851 22.072 ( 0.341 -9.162 -2.143) 9.415 22.095 ( 4.886 -8.481 2.109) 10.012 26.390 ( -2.801 23.234 6.378) 24.256 26.649 ( -3.582 19.777 -10.412) 22.636 27.464 ( -4.039 -24.584 -0.349) 24.916 27.628 ( 3.571 -27.674 0.842) 27.917 30.012 ( -5.964 6.286 1.999) 8.893 30.125 ( -0.735 0.842 -1.990) 2.282 30.159 ( 4.199 2.870 2.053) 5.485 30.368 ( 9.762 -6.093 1.019) 11.553 31.211 ( 2.539 0.338 2.201) 3.377 31.269 ( 1.636 -1.940 -2.910) 3.861 31.393 ( -0.205 -2.365 1.056) 2.598 31.552 ( 7.309 -7.440 1.221) 10.501 32.755 ( -0.651 8.480 2.053) 8.750 32.819 ( -1.262 6.708 -2.568) 7.293 33.095 ( -1.580 -2.957 3.130) 4.586 33.157 ( -2.952 -4.405 -2.392) 5.817 36.452 ( -0.050 -1.012 1.521) 1.827 36.485 ( -0.247 -2.398 -0.315) 2.432 36.817 ( 1.387 1.260 -2.887) 3.442 36.870 ( 1.866 -0.780 -6.950) 7.239 37.122 ( -7.327 3.528 5.598) 9.873 37.229 ( -8.414 -1.437 8.057) 11.738 37.523 ( 2.063 7.154 -2.347) 7.807 37.765 ( 4.996 -3.860 -3.785) 7.361 ======================= Grid point 107 (52/90) ======================= q-point: ( 0.25 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 3.971 18.664 0.200) 19.083 1.883 ( 8.537 8.025 -3.606) 12.259 2.132 ( 5.268 4.011 -0.955) 6.690 2.221 ( -2.693 7.770 0.678) 8.251 2.234 ( 4.647 -3.946 -0.034) 6.096 2.504 ( -4.122 1.244 1.142) 4.455 2.590 ( 1.305 -3.294 -0.274) 3.553 2.705 ( -0.996 2.282 2.387) 3.449 2.875 ( -2.355 -1.179 -3.420) 4.317 2.926 ( 10.363 4.801 5.941) 12.874 3.066 ( -0.822 5.366 -5.452) 7.694 3.121 ( 9.556 2.430 0.367) 9.867 3.186 ( 5.211 3.124 4.742) 7.707 3.399 ( 7.018 -3.852 -2.484) 8.382 3.549 ( 6.331 0.954 -0.206) 6.406 3.580 ( 3.321 -2.865 -0.463) 4.411 3.693 ( 1.833 -1.999 -1.137) 2.941 3.844 ( -0.407 -1.577 -2.294) 2.813 4.056 ( -3.765 1.447 -3.222) 5.162 4.136 ( 3.931 2.440 4.297) 6.314 4.170 ( 2.275 -0.463 -1.508) 2.768 4.312 ( 1.595 -2.267 1.295) 3.059 4.376 ( 1.596 -0.704 -3.246) 3.685 4.462 ( 0.181 -5.991 1.192) 6.111 4.514 ( 3.365 3.083 2.105) 5.026 4.572 ( -4.192 3.096 -2.092) 5.616 4.645 ( 2.914 0.068 1.540) 3.296 4.708 ( -0.606 0.353 -0.541) 0.885 4.804 ( 3.046 -4.848 1.094) 5.829 4.897 ( -1.851 -3.623 -2.859) 4.973 5.112 ( 2.451 -0.343 3.016) 3.901 5.147 ( -2.966 4.783 -5.093) 7.590 5.199 ( 5.867 -1.828 4.520) 7.628 5.315 ( -0.187 -0.849 -5.173) 5.246 5.443 ( -1.166 -0.225 2.457) 2.729 5.488 ( -0.318 -1.990 1.362) 2.432 5.617 ( 1.285 3.337 -0.082) 3.577 5.674 ( 2.319 2.421 -0.349) 3.370 5.854 ( 3.502 0.998 -0.809) 3.730 5.919 ( 4.399 0.207 2.897) 5.272 5.949 ( -2.020 0.923 1.138) 2.496 6.043 ( 6.676 -2.791 0.461) 7.251 6.222 ( 6.096 -0.772 -1.036) 6.231 6.260 ( 6.146 -0.740 -3.875) 7.304 6.476 ( -1.578 4.268 2.423) 5.155 6.595 ( -0.775 -0.789 1.976) 2.265 6.666 ( 1.455 3.842 0.933) 4.213 6.761 ( 0.717 -2.762 1.465) 3.208 7.441 ( -1.998 0.758 1.807) 2.798 7.496 ( -1.453 -1.114 0.243) 1.847 7.580 ( -1.585 0.942 -0.791) 2.007 7.625 ( -3.974 -1.339 -0.618) 4.239 7.731 ( -1.372 4.203 0.723) 4.480 7.784 ( -0.547 1.214 -4.165) 4.372 7.821 ( -1.988 -0.220 0.830) 2.165 7.893 ( -0.628 -0.730 1.007) 1.394 9.491 ( -9.056 3.669 0.810) 9.804 9.553 ( -7.778 1.730 -0.378) 7.977 9.684 ( -8.551 -3.818 0.088) 9.365 9.710 ( -8.079 -5.368 -0.138) 9.701 10.060 ( -1.506 4.092 1.268) 4.540 10.130 ( 1.060 6.195 -2.036) 6.606 10.263 ( 0.254 -5.336 0.993) 5.434 10.350 ( 2.124 -3.889 -2.350) 5.016 11.383 ( -0.019 -0.017 0.420) 0.421 11.422 ( 0.559 -1.627 -0.377) 1.761 11.562 ( 2.448 0.744 0.393) 2.588 11.580 ( 2.397 0.037 0.416) 2.433 11.981 ( -5.407 3.882 0.133) 6.658 12.050 ( -4.061 4.512 -0.567) 6.097 12.156 ( -4.922 -4.246 0.618) 6.529 12.244 ( -2.971 -4.747 -0.595) 5.632 13.699 ( -4.688 16.573 1.651) 17.302 13.944 ( -0.861 15.852 -1.373) 15.934 14.105 ( -1.356 1.271 -0.075) 1.860 14.148 ( 2.388 -4.007 0.394) 4.682 14.403 ( 1.146 -0.796 -4.856) 5.052 14.438 ( -1.051 -9.752 0.853) 9.845 14.646 ( -5.229 -7.265 6.796) 11.239 14.907 ( -0.557 -15.558 -1.944) 15.689 15.977 ( -0.584 2.076 -1.419) 2.582 16.050 ( 1.726 2.457 0.950) 3.150 16.111 ( -0.372 4.485 2.705) 5.250 16.197 ( -0.802 2.929 -1.209) 3.269 16.258 ( 0.461 -4.670 0.913) 4.781 16.315 ( 1.824 -2.523 -1.869) 3.631 16.415 ( 0.659 -6.452 -0.487) 6.504 16.488 ( -0.232 -6.855 -0.232) 6.862 20.135 ( -0.178 6.183 -1.468) 6.357 20.174 ( 1.482 5.486 1.741) 5.944 20.343 ( -0.268 -3.060 -1.404) 3.377 20.400 ( 0.385 -4.216 0.868) 4.322 21.564 ( -0.951 12.752 -0.278) 12.790 21.812 ( 4.047 11.756 0.399) 12.439 22.064 ( 1.734 -10.774 -1.714) 11.047 22.204 ( 5.096 -8.185 1.523) 9.762 26.374 ( -5.066 23.026 3.475) 23.831 26.535 ( -1.971 23.520 -3.413) 23.847 27.380 ( -3.968 -24.098 -1.188) 24.452 27.683 ( 1.785 -32.316 0.254) 32.366 29.959 ( -1.619 7.970 1.009) 8.195 30.104 ( 0.448 0.494 -1.550) 1.688 30.245 ( 4.020 3.647 0.927) 5.506 30.514 ( 6.703 -8.211 -0.293) 10.604 31.269 ( 1.429 2.986 -1.311) 3.560 31.300 ( 4.830 -1.162 2.354) 5.498 31.412 ( 1.462 -2.958 -0.137) 3.302 31.690 ( 8.201 -10.485 -0.371) 13.317 32.754 ( -1.516 7.942 0.129) 8.087 32.785 ( -0.607 6.962 0.549) 7.010 33.045 ( -4.842 -3.072 -2.497) 6.255 33.101 ( -2.957 -4.066 1.675) 5.299 36.458 ( -0.500 -1.029 0.674) 1.328 36.487 ( 0.381 -1.969 0.646) 2.107 36.801 ( 0.645 0.026 -3.940) 3.993 36.820 ( 0.555 -0.711 -6.846) 6.906 37.065 ( -6.000 3.247 6.176) 9.202 37.161 ( -9.175 -1.527 8.174) 12.382 37.552 ( 3.979 8.178 -2.056) 9.324 37.804 ( 2.957 -3.333 -2.473) 5.096 ======================= Grid point 108 (53/90) ======================= q-point: ( 0.38 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 7.887 15.934 1.050) 17.810 1.997 ( 3.955 7.392 0.803) 8.422 2.158 ( -0.602 6.519 -0.507) 6.567 2.168 ( 2.151 3.537 -3.521) 5.434 2.317 ( 6.313 -7.513 -2.382) 10.098 2.447 ( -6.020 3.745 3.070) 7.726 2.590 ( -2.847 1.509 -2.981) 4.390 2.701 ( -3.341 9.386 2.419) 10.252 2.794 ( 2.641 -1.199 -4.059) 4.989 3.037 ( 3.858 -1.863 -1.537) 4.552 3.157 ( 4.987 10.436 2.743) 11.887 3.263 ( 3.367 0.721 4.262) 5.479 3.315 ( 5.685 -0.833 2.770) 6.379 3.443 ( 4.384 -6.613 -6.738) 10.409 3.544 ( 3.848 2.443 -1.032) 4.674 3.722 ( 0.925 -3.162 5.608) 6.504 3.752 ( 4.426 -1.675 2.679) 5.439 3.842 ( 1.415 -2.299 0.791) 2.813 3.955 ( -1.421 0.130 -2.710) 3.062 4.103 ( -3.362 -1.074 -2.199) 4.159 4.234 ( 1.187 -1.794 0.363) 2.181 4.279 ( -4.332 -0.518 -2.608) 5.083 4.322 ( -1.824 0.670 -4.821) 5.198 4.448 ( -1.871 -4.367 2.114) 5.200 4.529 ( -1.741 5.062 0.424) 5.370 4.627 ( 4.278 0.255 3.386) 5.462 4.736 ( 3.524 -0.713 2.645) 4.464 4.785 ( 6.900 -1.842 2.943) 7.724 4.872 ( 1.238 -2.081 -6.820) 7.237 4.896 ( 3.225 -4.382 0.693) 5.485 5.016 ( -2.245 0.551 -4.333) 4.911 5.078 ( -1.419 -1.210 -2.289) 2.953 5.293 ( 2.778 3.168 3.591) 5.536 5.361 ( 3.737 -2.126 -0.487) 4.327 5.458 ( -2.941 1.238 -1.348) 3.465 5.502 ( 2.360 -0.033 1.388) 2.738 5.629 ( 1.873 3.831 0.908) 4.360 5.708 ( 2.028 2.388 1.073) 3.311 5.881 ( -2.755 1.800 1.772) 3.737 5.919 ( 1.443 -0.136 -1.425) 2.033 6.027 ( 3.727 0.969 2.921) 4.833 6.113 ( 1.859 -1.520 -0.549) 2.463 6.320 ( 5.253 -0.190 0.361) 5.269 6.328 ( 4.955 0.477 -1.603) 5.229 6.476 ( -0.748 3.338 0.761) 3.504 6.621 ( 1.754 0.735 1.948) 2.722 6.699 ( 2.057 1.789 -2.208) 3.508 6.742 ( -2.161 -2.348 -2.324) 3.948 7.429 ( -1.553 0.983 1.893) 2.639 7.471 ( -2.209 0.079 1.128) 2.482 7.550 ( -1.236 1.724 -0.395) 2.158 7.572 ( -1.345 -0.162 -0.590) 1.478 7.714 ( -2.695 0.496 -0.658) 2.818 7.737 ( 0.819 2.303 -0.347) 2.468 7.806 ( -1.540 -0.119 1.461) 2.126 7.878 ( -2.094 -0.447 0.789) 2.282 9.363 ( -6.684 2.889 0.932) 7.341 9.430 ( -5.969 0.619 -0.432) 6.017 9.552 ( -6.607 -4.586 0.239) 8.046 9.589 ( -6.093 -6.666 -0.020) 9.031 10.049 ( -1.277 5.031 1.473) 5.396 10.133 ( 1.293 6.056 -1.369) 6.342 10.273 ( -0.274 -4.881 1.067) 5.004 10.357 ( 1.754 -3.791 -2.721) 4.985 11.392 ( 0.238 0.257 1.057) 1.114 11.430 ( 0.544 -1.178 0.010) 1.298 11.594 ( 1.695 0.898 -1.471) 2.418 11.612 ( 1.502 0.217 -1.044) 1.842 11.915 ( -3.295 4.003 1.254) 5.335 11.979 ( -3.005 4.843 -0.641) 5.736 12.100 ( -3.081 -4.642 1.636) 5.807 12.194 ( -2.012 -5.351 -0.637) 5.752 13.652 ( -2.982 17.055 2.092) 17.440 13.905 ( -1.569 15.604 -3.101) 15.986 14.100 ( -0.924 1.903 2.983) 3.657 14.201 ( 2.876 -5.677 1.047) 6.449 14.359 ( 1.846 -1.240 -7.010) 7.354 14.424 ( -1.951 -11.034 0.774) 11.231 14.645 ( -3.922 -6.311 7.636) 10.654 14.883 ( -0.379 -14.784 -1.286) 14.845 15.965 ( 0.205 2.286 0.069) 2.296 16.073 ( -0.054 3.849 0.519) 3.884 16.134 ( 0.229 4.837 1.821) 5.174 16.166 ( -1.020 -0.280 -1.060) 1.498 16.274 ( 0.180 -4.320 0.726) 4.384 16.333 ( 2.148 -2.423 -0.970) 3.380 16.415 ( 0.937 -6.614 -2.237) 7.045 16.479 ( -0.656 -6.794 -0.289) 6.832 20.129 ( 0.468 6.700 -0.319) 6.723 20.203 ( 0.339 5.707 0.411) 5.732 20.332 ( 0.496 -3.137 -0.530) 3.220 20.406 ( -0.367 -3.958 0.342) 3.990 21.564 ( 0.169 13.166 1.344) 13.235 21.844 ( 1.652 12.173 -3.301) 12.720 22.097 ( 2.277 -10.387 1.303) 10.714 22.274 ( 2.533 -8.179 -0.441) 8.574 26.326 ( -3.383 23.336 2.238) 23.686 26.488 ( -1.522 25.402 -1.399) 25.486 27.336 ( -1.297 -25.369 1.670) 25.457 27.687 ( -0.087 -33.683 -2.174) 33.754 29.981 ( 0.940 7.186 3.916) 8.237 30.111 ( 1.290 0.314 0.058) 1.329 30.299 ( 2.206 4.166 -0.572) 4.749 30.571 ( 2.680 -7.533 -3.821) 8.862 31.285 ( 1.502 4.632 -0.083) 4.870 31.402 ( 3.017 1.687 1.364) 3.716 31.429 ( 1.416 -5.841 1.142) 6.118 31.786 ( 4.994 -11.692 -3.213) 13.113 32.725 ( -0.835 7.261 -0.611) 7.335 32.792 ( -0.806 7.695 0.984) 7.799 32.949 ( -2.990 -3.176 -1.354) 4.568 33.065 ( -2.885 -4.261 0.739) 5.199 36.460 ( -0.277 -0.695 1.304) 1.503 36.505 ( 0.390 -2.139 1.581) 2.688 36.751 ( 0.152 -0.172 -7.002) 7.006 36.768 ( 0.774 -1.199 -5.662) 5.839 37.055 ( -3.441 2.199 7.279) 8.346 37.107 ( -6.604 -0.578 7.504) 10.013 37.599 ( 3.111 7.386 -0.750) 8.050 37.808 ( 1.105 -2.109 -3.089) 3.900 ======================= Grid point 109 (54/90) ======================= q-point: (-0.50 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -6.191 10.112 -0.961) 11.895 2.044 ( 3.971 12.612 4.273) 13.896 2.164 ( 0.451 3.687 1.027) 3.854 2.247 ( 7.616 2.291 -1.091) 8.028 2.312 ( -4.997 -0.479 -0.827) 5.088 2.424 ( 1.250 2.004 -5.019) 5.547 2.471 ( -1.848 7.390 -4.209) 8.703 2.671 ( -1.220 0.516 3.842) 4.064 2.845 ( 3.972 -1.219 -4.076) 5.820 3.034 ( -3.360 1.106 -1.506) 3.845 3.211 ( -1.762 5.778 1.844) 6.316 3.302 ( -2.710 -1.726 2.597) 4.131 3.349 ( 2.794 4.098 1.925) 5.320 3.533 ( 4.706 -3.335 -1.111) 5.874 3.618 ( 2.229 3.766 -0.907) 4.470 3.661 ( -6.293 -2.171 1.154) 6.757 3.819 ( 0.862 -1.112 2.901) 3.225 3.871 ( -0.909 -7.114 5.042) 8.767 4.047 ( 4.016 -2.746 2.311) 5.386 4.084 ( 3.456 -1.648 -0.699) 3.892 4.183 ( 3.392 2.649 0.599) 4.345 4.225 ( 1.137 -0.056 -6.138) 6.243 4.311 ( -0.773 -0.931 1.666) 2.059 4.410 ( -4.326 -2.278 -4.332) 6.532 4.511 ( 2.747 2.830 0.218) 3.950 4.638 ( -9.389 -0.449 -4.353) 10.359 4.731 ( -1.114 -1.975 0.125) 2.271 4.762 ( -1.947 -2.751 0.499) 3.408 4.834 ( -0.245 -2.440 -0.810) 2.583 4.920 ( -0.278 -5.938 -0.766) 5.993 5.082 ( 6.405 1.983 -0.861) 6.760 5.149 ( 6.562 -1.612 -2.020) 7.052 5.336 ( -3.970 2.463 2.300) 5.207 5.375 ( -0.773 0.948 -1.198) 1.712 5.383 ( 1.285 2.472 1.921) 3.384 5.532 ( -0.007 -2.809 -1.112) 3.021 5.692 ( 1.175 4.793 3.077) 5.816 5.752 ( 0.466 3.856 2.199) 4.463 5.843 ( -2.654 1.475 1.329) 3.314 5.902 ( -1.500 -1.886 -1.828) 3.025 6.087 ( -0.884 0.767 2.048) 2.359 6.128 ( 1.115 1.611 0.854) 2.137 6.365 ( 1.418 1.111 0.596) 1.897 6.383 ( -0.577 0.834 0.791) 1.286 6.466 ( -0.509 1.216 -0.688) 1.487 6.622 ( -3.671 1.062 -5.477) 6.679 6.645 ( -0.852 1.176 -0.571) 1.561 6.723 ( 0.663 -1.313 -1.733) 2.273 7.434 ( -0.200 1.718 1.629) 2.376 7.460 ( -0.557 1.615 2.115) 2.719 7.539 ( 0.363 1.345 0.024) 1.393 7.560 ( 0.640 0.129 -1.500) 1.636 7.680 ( -0.998 0.849 1.341) 1.875 7.784 ( 3.935 -1.074 0.046) 4.079 7.802 ( -0.284 0.585 1.695) 1.815 7.850 ( -1.507 -0.286 0.279) 1.559 9.312 ( -0.446 2.148 1.203) 2.503 9.374 ( 0.373 0.606 -0.828) 1.092 9.501 ( 0.321 -4.740 0.709) 4.804 9.531 ( -0.289 -7.001 -0.400) 7.019 10.049 ( -0.769 5.039 1.769) 5.396 10.142 ( 1.160 5.726 -1.082) 5.942 10.274 ( -0.773 -4.424 0.835) 4.568 10.356 ( 1.507 -3.373 -2.722) 4.589 11.410 ( 0.002 0.490 1.800) 1.865 11.442 ( 0.757 -0.855 0.580) 1.281 11.581 ( -0.472 0.634 -2.828) 2.937 11.599 ( -1.031 -0.103 -2.471) 2.679 11.898 ( -0.527 4.181 1.595) 4.505 11.958 ( 0.948 4.667 -0.281) 4.771 12.091 ( -0.465 -4.844 2.277) 5.372 12.175 ( 0.522 -5.514 -0.653) 5.577 13.648 ( -0.539 17.129 2.995) 17.397 13.843 ( -0.257 15.308 -4.887) 16.071 14.127 ( 0.185 0.530 3.067) 3.118 14.248 ( 0.152 -3.508 2.969) 4.598 14.336 ( 2.786 -1.044 -6.513) 7.160 14.398 ( -0.756 -10.789 -0.396) 10.823 14.660 ( -3.407 -7.538 7.442) 11.127 14.875 ( 1.092 -14.127 -1.251) 14.224 15.988 ( 1.436 2.532 1.644) 3.343 16.060 ( -1.023 4.650 -1.116) 4.890 16.125 ( -2.132 2.666 0.987) 3.553 16.174 ( 1.644 -0.097 0.066) 1.649 16.275 ( -0.946 -4.468 0.774) 4.632 16.360 ( 1.350 -3.509 -0.094) 3.761 16.404 ( 0.703 -5.977 -2.336) 6.456 16.459 ( -0.663 -6.231 -1.437) 6.428 20.143 ( 0.867 6.487 0.671) 6.579 20.190 ( -1.195 5.607 -1.108) 5.839 20.352 ( 1.337 -3.039 0.913) 3.443 20.395 ( -0.811 -3.563 -0.532) 3.693 21.590 ( 0.224 13.066 3.015) 13.411 21.811 ( -0.176 11.248 -5.306) 12.438 22.147 ( 0.865 -8.999 2.955) 9.511 22.274 ( -1.011 -7.966 -2.103) 8.301 26.311 ( -2.076 24.196 3.030) 24.473 26.466 ( 2.155 25.054 -2.508) 25.271 27.370 ( 1.155 -26.641 4.859) 27.105 27.644 ( -0.739 -32.765 -4.816) 33.125 30.044 ( -0.469 5.845 6.737) 8.931 30.143 ( 1.263 0.565 1.706) 2.197 30.305 ( -0.330 3.644 -1.146) 3.834 30.531 ( -0.415 -5.777 -7.429) 9.420 31.314 ( 0.931 5.020 1.429) 5.302 31.384 ( -2.160 -0.308 -1.565) 2.685 31.504 ( 1.258 -4.906 4.519) 6.788 31.777 ( -0.598 -10.800 -5.857) 12.301 32.725 ( 0.910 6.952 0.194) 7.014 32.759 ( -1.834 7.166 -1.332) 7.516 32.956 ( 2.873 -3.064 1.831) 4.582 33.025 ( -1.751 -3.856 -0.843) 4.318 36.476 ( -0.254 -0.675 2.492) 2.594 36.523 ( -1.039 -2.161 2.505) 3.468 36.692 ( 1.648 0.306 -7.088) 7.283 36.737 ( 3.497 -1.695 -6.834) 7.862 37.085 ( -2.344 0.936 6.957) 7.401 37.093 ( -3.471 0.257 7.258) 8.049 37.630 ( 0.610 6.410 0.346) 6.448 37.788 ( 1.219 -0.862 -4.279) 4.532 ======================= Grid point 110 (55/90) ======================= q-point: (-0.38 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -5.942 13.920 -1.841) 15.247 2.017 ( -11.935 8.751 2.585) 15.024 2.199 ( -2.420 0.768 -1.382) 2.891 2.216 ( 3.956 -2.571 -6.021) 7.649 2.313 ( -2.740 8.104 5.618) 10.235 2.418 ( 6.061 1.416 -0.486) 6.244 2.477 ( 2.681 10.098 -0.206) 10.450 2.739 ( 6.293 -2.761 -3.428) 7.680 2.825 ( -2.257 -0.563 -1.357) 2.693 2.920 ( -7.574 -4.876 1.215) 9.089 3.144 ( -7.683 7.972 3.124) 11.504 3.274 ( -4.076 -1.642 0.521) 4.425 3.351 ( -9.663 2.998 -3.536) 10.717 3.485 ( -0.332 5.438 2.826) 6.137 3.560 ( -1.288 0.053 -1.963) 2.349 3.735 ( 1.572 -0.826 2.948) 3.441 3.843 ( -2.194 -2.341 0.497) 3.247 3.902 ( -2.087 -1.944 5.688) 6.363 4.060 ( 2.959 -0.637 1.270) 3.283 4.092 ( 0.015 0.420 -7.265) 7.277 4.227 ( 0.411 -2.107 2.245) 3.106 4.253 ( -3.959 -4.612 -9.466) 11.250 4.306 ( 2.384 -1.609 -0.818) 2.990 4.391 ( 8.075 -3.213 3.935) 9.540 4.468 ( -0.684 7.460 -1.702) 7.682 4.591 ( 2.858 0.590 1.827) 3.443 4.725 ( -1.969 -3.450 0.211) 3.978 4.739 ( -4.878 -0.411 6.013) 7.754 4.807 ( 0.185 -5.936 -0.289) 5.946 4.909 ( -0.208 -3.636 0.777) 3.724 5.066 ( -2.919 0.712 -7.111) 7.720 5.089 ( -5.468 1.623 -7.342) 9.297 5.347 ( -0.471 0.327 1.631) 1.728 5.398 ( 4.082 -0.064 2.703) 4.896 5.467 ( 2.065 -0.571 5.069) 5.503 5.494 ( -1.105 -2.857 -1.989) 3.652 5.664 ( -5.490 6.016 1.083) 8.215 5.749 ( -3.800 3.312 1.282) 5.201 5.812 ( -1.994 -1.477 -0.597) 2.552 5.869 ( -1.852 0.615 -0.838) 2.124 6.058 ( -3.346 1.900 1.949) 4.313 6.147 ( -1.477 -0.460 1.638) 2.253 6.309 ( -6.635 1.181 -1.039) 6.819 6.387 ( -2.095 -0.945 -0.497) 2.351 6.420 ( -2.103 2.804 1.039) 3.656 6.553 ( 0.545 4.008 -3.374) 5.267 6.607 ( -3.400 -1.310 0.947) 3.764 6.706 ( -0.464 -0.305 -0.899) 1.057 7.440 ( -0.296 2.258 1.282) 2.613 7.498 ( 1.779 0.067 0.700) 1.913 7.553 ( 0.653 -0.331 -0.764) 1.058 7.568 ( 2.927 0.409 0.182) 2.961 7.694 ( 0.082 1.957 1.305) 2.353 7.799 ( 0.726 -1.900 -1.810) 2.723 7.845 ( 2.004 1.159 0.374) 2.345 7.883 ( 4.136 0.082 1.711) 4.476 9.371 ( 5.731 2.312 1.185) 6.292 9.427 ( 6.853 1.430 -0.775) 7.044 9.572 ( 6.477 -4.518 0.613) 7.921 9.577 ( 6.454 -6.018 -0.351) 8.831 10.056 ( -0.552 4.246 1.670) 4.596 10.148 ( 1.095 5.328 -1.291) 5.591 10.265 ( -1.061 -3.941 0.373) 4.099 10.354 ( 1.141 -3.121 -2.251) 4.013 11.421 ( -0.530 0.842 1.536) 1.830 11.462 ( 0.376 -0.928 0.865) 1.323 11.535 ( -1.873 -0.059 -2.099) 2.814 11.547 ( -1.963 -0.437 -1.752) 2.667 11.931 ( 2.821 4.208 1.442) 5.268 11.992 ( 3.450 4.255 -0.884) 5.549 12.126 ( 1.996 -4.823 2.116) 5.632 12.194 ( 2.715 -5.182 -1.056) 5.945 13.682 ( 0.451 16.106 2.688) 16.335 13.840 ( 5.622 15.777 -2.614) 16.952 14.156 ( 0.006 -0.210 1.979) 1.990 14.255 ( -3.383 -3.824 3.201) 6.027 14.301 ( 1.642 -0.103 -7.214) 7.400 14.406 ( 1.952 -7.696 -0.390) 7.949 14.683 ( -2.638 -9.160 7.284) 11.997 14.893 ( 2.788 -13.755 -1.772) 14.146 16.024 ( -0.984 4.223 -2.072) 4.806 16.040 ( 2.053 2.907 2.384) 4.283 16.104 ( -2.086 1.903 1.645) 3.268 16.198 ( 1.239 0.675 -0.348) 1.453 16.257 ( -2.002 -3.687 0.750) 4.262 16.346 ( -1.651 -5.195 -2.517) 6.004 16.408 ( 0.515 -5.011 0.503) 5.062 16.442 ( 1.137 -6.448 -1.793) 6.788 20.151 ( -1.578 5.587 -1.026) 5.896 20.172 ( 1.111 5.857 1.101) 6.063 20.365 ( -0.911 -3.540 -0.998) 3.789 20.388 ( 0.882 -3.104 0.806) 3.326 21.627 ( -0.088 12.549 4.105) 13.204 21.740 ( -1.762 10.672 -5.605) 12.182 22.175 ( -1.497 -7.880 2.552) 8.417 22.208 ( -3.614 -8.326 -2.141) 9.325 26.302 ( -1.682 24.750 1.618) 24.860 26.535 ( 8.308 23.146 -0.761) 24.603 27.453 ( 1.839 -28.573 5.705) 29.195 27.576 ( -0.512 -29.011 -6.255) 29.682 30.075 ( -3.522 5.301 5.526) 8.429 30.176 ( 0.239 0.580 1.860) 1.963 30.264 ( -4.101 2.808 -0.727) 5.023 30.438 ( -0.892 -4.216 -7.017) 8.234 31.304 ( -3.925 3.308 -0.464) 5.154 31.354 ( 0.046 0.737 1.381) 1.566 31.537 ( -3.062 -6.509 4.952) 8.733 31.665 ( -4.700 -8.935 -6.700) 12.116 32.720 ( -0.515 7.845 -0.577) 7.883 32.774 ( 3.203 6.670 0.779) 7.440 32.994 ( -0.270 -3.323 -2.012) 3.894 33.045 ( 5.104 -3.964 1.566) 6.650 36.485 ( -1.932 -1.284 1.966) 3.041 36.517 ( -1.857 -2.101 1.895) 3.384 36.679 ( 4.681 1.794 -5.675) 7.572 36.759 ( 6.762 -1.675 -6.016) 9.204 37.099 ( -2.486 1.212 5.681) 6.319 37.143 ( -0.574 -0.705 7.334) 7.390 37.619 ( -2.174 6.163 -0.026) 6.536 37.776 ( 2.430 -0.899 -3.985) 4.753 ======================= Grid point 111 (56/90) ======================= q-point: (-0.25 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -4.299 16.552 -4.394) 17.657 1.824 ( -10.711 13.811 0.613) 17.488 2.086 ( -3.541 2.075 -4.836) 6.343 2.276 ( 4.519 -5.682 1.581) 7.430 2.334 ( -4.177 6.623 7.369) 10.752 2.517 ( 0.647 2.634 0.246) 2.723 2.531 ( 6.197 0.446 -0.476) 6.231 2.711 ( -0.681 7.044 -6.776) 9.798 2.741 ( -8.022 -5.354 3.865) 10.390 2.932 ( 2.060 -4.790 3.568) 6.318 3.029 ( -12.121 6.978 8.081) 16.153 3.109 ( -4.405 6.565 -9.935) 12.697 3.251 ( -5.581 -3.183 3.374) 7.257 3.416 ( -5.342 -2.200 -1.410) 5.947 3.516 ( -3.752 6.904 -5.203) 9.424 3.621 ( -15.417 2.186 0.071) 15.572 3.813 ( 1.646 0.969 -0.002) 1.910 3.964 ( 0.642 1.779 4.612) 4.984 4.060 ( 0.200 -3.656 -4.256) 5.614 4.094 ( 3.092 -3.552 -6.617) 8.122 4.166 ( 3.736 -1.769 0.177) 4.137 4.260 ( -1.671 1.083 0.373) 2.026 4.330 ( 2.369 -1.324 1.384) 3.046 4.409 ( -2.393 -1.377 3.044) 4.110 4.572 ( -3.559 1.090 0.540) 3.762 4.621 ( 7.045 -2.162 1.145) 7.458 4.681 ( -1.468 -1.076 -1.148) 2.152 4.746 ( -2.143 -1.261 3.123) 3.992 4.819 ( -6.642 -0.798 -2.700) 7.214 4.867 ( -0.123 -4.133 -3.906) 5.688 4.957 ( 1.790 0.758 1.415) 2.404 5.041 ( 6.198 -0.826 0.789) 6.303 5.353 ( -1.216 -0.828 1.770) 2.301 5.435 ( 0.254 0.475 -0.482) 0.723 5.473 ( 1.285 -0.086 -4.799) 4.969 5.521 ( -1.040 -0.445 -0.087) 1.134 5.609 ( -2.661 3.880 3.143) 5.658 5.665 ( -6.616 0.872 1.449) 6.828 5.753 ( -4.903 -2.823 0.682) 5.699 5.819 ( -1.950 -1.939 -0.897) 2.892 6.034 ( -2.488 2.802 2.175) 4.333 6.076 ( -7.039 1.671 -0.845) 7.284 6.227 ( -2.584 -2.641 0.697) 3.760 6.265 ( -7.165 -1.952 -3.676) 8.286 6.467 ( 0.652 3.581 5.502) 6.597 6.533 ( -0.205 6.091 -1.602) 6.302 6.549 ( -4.287 -0.192 0.626) 4.337 6.715 ( 1.085 -0.629 1.499) 1.954 7.458 ( 0.925 1.174 1.297) 1.979 7.505 ( -0.730 -1.712 0.676) 1.980 7.580 ( 2.793 0.139 -1.106) 3.007 7.625 ( 3.578 -0.308 -0.248) 3.600 7.704 ( 0.298 1.653 0.707) 1.822 7.780 ( -0.267 -1.005 -2.430) 2.643 7.893 ( 2.605 2.191 0.452) 3.434 7.949 ( 2.283 0.134 0.000) 2.287 9.496 ( 7.633 3.553 0.674) 8.446 9.564 ( 9.286 2.023 -0.157) 9.505 9.688 ( 7.352 -4.223 -0.094) 8.479 9.721 ( 9.601 -4.647 -0.055) 10.667 10.060 ( -0.709 3.144 1.019) 3.381 10.153 ( 1.212 4.672 -1.541) 5.067 10.251 ( -0.988 -3.535 0.455) 3.699 10.347 ( 0.594 -2.962 -2.059) 3.656 11.428 ( 0.053 0.399 0.561) 0.691 11.460 ( -0.259 -0.722 -1.425) 1.619 11.495 ( -1.832 -0.601 0.819) 2.095 11.510 ( -2.068 -0.633 0.821) 2.313 12.010 ( 4.605 4.169 0.992) 6.291 12.043 ( 4.199 4.076 -1.384) 6.013 12.191 ( 3.485 -4.403 1.447) 5.799 12.236 ( 3.716 -4.812 -1.388) 6.236 13.710 ( 0.886 14.506 1.470) 14.607 13.976 ( 11.218 14.765 0.068) 18.544 14.161 ( -1.233 0.433 1.266) 1.820 14.206 ( -3.635 -4.909 -0.237) 6.113 14.258 ( 1.373 1.557 -6.373) 6.703 14.443 ( 1.714 -6.297 1.301) 6.655 14.715 ( -2.427 -10.428 7.288) 12.952 14.919 ( 3.032 -12.122 -3.257) 12.913 15.990 ( -0.567 3.902 -1.909) 4.381 16.084 ( -1.562 3.636 2.387) 4.621 16.102 ( 1.558 2.829 1.463) 3.545 16.203 ( -0.671 -1.120 0.639) 1.454 16.233 ( -1.347 -0.233 0.109) 1.371 16.278 ( -2.695 -4.904 -2.811) 6.262 16.415 ( 0.839 -5.354 -0.995) 5.510 16.459 ( 1.144 -8.331 0.404) 8.419 20.116 ( -1.433 6.062 -0.603) 6.258 20.208 ( 1.715 4.555 1.100) 4.990 20.334 ( -0.967 -3.444 -1.713) 3.966 20.405 ( -0.195 -3.872 0.927) 3.987 21.652 ( -2.191 11.035 -3.983) 11.935 21.666 ( -0.538 11.565 3.939) 12.229 22.093 ( -5.554 -7.066 -2.100) 9.230 22.182 ( -2.207 -9.240 2.081) 9.725 26.299 ( -0.364 24.245 1.380) 24.287 26.704 ( 12.404 20.034 -1.070) 23.587 27.464 ( -1.923 -31.000 -4.285) 31.354 27.570 ( 2.114 -22.923 3.034) 23.220 30.045 ( -4.417 4.912 2.706) 7.139 30.131 ( -4.541 0.227 -4.321) 6.273 30.208 ( -1.686 3.638 2.166) 4.557 30.383 ( -2.377 -3.610 -0.354) 4.337 31.231 ( -4.031 2.417 -0.053) 4.700 31.368 ( -0.434 0.945 1.440) 1.776 31.489 ( -6.783 -9.417 0.040) 11.605 31.532 ( -4.899 -5.432 -0.918) 7.372 32.718 ( 0.412 8.326 0.161) 8.338 32.843 ( 3.640 7.961 0.888) 8.798 32.979 ( 0.962 -3.587 -1.667) 4.071 33.138 ( 4.694 -5.252 0.465) 7.059 36.458 ( -2.282 -1.062 0.729) 2.620 36.507 ( -1.102 -2.966 0.843) 3.274 36.727 ( 6.087 3.143 -3.576) 7.728 36.822 ( 7.133 -1.014 -5.264) 8.923 37.117 ( -1.699 2.085 4.986) 5.665 37.214 ( 0.268 -2.351 7.438) 7.806 37.567 ( -2.754 6.917 -1.809) 7.662 37.781 ( 1.978 -2.628 -2.990) 4.446 ======================= Grid point 112 (57/90) ======================= q-point: (-0.12 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.993 21.485 -2.326) 21.633 1.725 ( -2.904 17.396 1.594) 17.708 2.002 ( -1.702 1.831 -3.936) 4.663 2.266 ( -8.162 4.533 2.710) 9.722 2.365 ( -1.628 -2.328 -3.276) 4.336 2.498 ( 0.434 0.863 5.374) 5.460 2.593 ( 0.263 -1.845 2.073) 2.788 2.639 ( -5.506 -5.135 4.605) 8.826 2.726 ( 5.945 1.305 -3.668) 7.107 2.882 ( -10.767 16.220 2.757) 19.663 2.955 ( 1.218 5.525 -1.021) 5.749 3.082 ( 2.976 -5.071 2.143) 6.258 3.207 ( -2.099 -3.327 0.438) 3.959 3.295 ( -7.389 -5.472 -4.630) 10.295 3.355 ( -10.709 5.769 -0.257) 12.167 3.437 ( -4.251 1.177 1.377) 4.621 3.822 ( 0.801 1.459 -2.385) 2.908 3.951 ( 0.952 -4.406 -7.374) 8.643 4.003 ( -4.088 5.788 -0.385) 7.097 4.137 ( 3.381 0.768 0.510) 3.504 4.223 ( -0.761 -2.819 -2.957) 4.156 4.249 ( 3.119 1.314 1.405) 3.665 4.308 ( -3.519 -3.485 1.433) 5.155 4.406 ( -1.856 -2.628 1.621) 3.602 4.565 ( 0.774 -0.841 -0.994) 1.515 4.619 ( -2.877 0.308 -1.937) 3.482 4.641 ( -3.312 -0.266 -0.712) 3.398 4.708 ( 1.807 -4.088 -2.403) 5.075 4.767 ( 0.628 0.970 2.431) 2.692 4.890 ( 5.768 -5.435 1.121) 8.004 5.104 ( 5.468 5.636 3.732) 8.694 5.168 ( 5.957 -1.181 1.099) 6.172 5.290 ( -5.582 0.660 -5.487) 7.855 5.403 ( 0.043 2.573 -4.791) 5.439 5.447 ( 0.825 -2.765 -0.382) 2.911 5.500 ( -1.284 -0.117 2.211) 2.559 5.562 ( -2.302 1.787 -1.915) 3.487 5.613 ( -3.300 -0.668 3.405) 4.788 5.732 ( -2.898 -4.386 6.538) 8.390 5.763 ( -4.398 -5.316 -1.785) 7.126 5.960 ( -4.614 3.186 -0.679) 5.648 6.029 ( 0.108 2.596 0.878) 2.742 6.097 ( -7.610 -0.471 -2.608) 8.058 6.211 ( 0.237 -3.894 -1.526) 4.189 6.489 ( -3.471 1.613 2.696) 4.681 6.524 ( -0.385 3.310 2.502) 4.167 6.540 ( 0.487 5.744 3.873) 6.945 6.749 ( 0.509 -1.012 1.547) 1.917 7.485 ( 0.244 0.225 0.436) 0.548 7.505 ( 0.070 -1.992 1.503) 2.497 7.610 ( 1.904 0.086 -0.620) 2.004 7.672 ( 2.443 -0.262 -0.300) 2.475 7.724 ( 1.595 0.936 -0.384) 1.889 7.755 ( 0.108 -0.044 -0.881) 0.889 7.922 ( 0.754 1.873 -0.602) 2.107 7.953 ( -0.640 0.983 -1.615) 1.996 9.612 ( 4.923 4.436 0.788) 6.673 9.689 ( 5.723 2.715 -0.660) 6.369 9.791 ( 4.602 -3.282 0.353) 5.663 9.857 ( 6.915 -4.514 -1.053) 8.325 10.055 ( -0.605 2.645 0.699) 2.802 10.158 ( 1.228 4.448 -1.722) 4.925 10.242 ( -0.954 -4.242 0.803) 4.422 10.335 ( 0.589 -2.887 -2.150) 3.648 11.427 ( 0.112 -0.930 -1.163) 1.493 11.438 ( -0.555 -0.884 -1.525) 1.848 11.490 ( -0.950 -0.407 2.282) 2.505 11.494 ( -1.326 -0.244 1.824) 2.268 12.071 ( 2.781 4.657 -0.340) 5.435 12.110 ( 3.961 3.575 -0.243) 5.342 12.254 ( 2.469 -3.717 0.744) 4.524 12.282 ( 3.099 -4.607 -1.226) 5.686 13.742 ( 0.762 13.847 2.020) 14.014 14.113 ( 3.553 8.666 -6.274) 11.273 14.145 ( -2.138 -3.620 -1.222) 4.379 14.175 ( 4.667 2.892 -1.163) 5.613 14.243 ( 2.189 1.891 0.817) 3.006 14.477 ( 0.628 -5.509 1.053) 5.644 14.730 ( -4.391 -10.971 6.325) 13.403 14.930 ( 2.850 -10.468 -3.782) 11.490 15.971 ( 0.060 3.798 -0.999) 3.928 16.078 ( -2.066 4.389 3.086) 5.750 16.121 ( -0.005 4.057 -2.329) 4.678 16.193 ( -2.002 -4.573 1.782) 5.301 16.211 ( -0.207 0.909 0.149) 0.943 16.246 ( 0.641 -1.791 0.271) 1.921 16.418 ( 0.953 -6.207 -1.435) 6.442 16.477 ( 0.270 -8.558 0.755) 8.595 20.097 ( -0.579 6.332 0.284) 6.365 20.235 ( 1.078 3.951 -1.620) 4.404 20.313 ( 0.128 -4.384 0.169) 4.389 20.398 ( -1.372 -4.138 0.555) 4.395 21.596 ( -0.446 11.227 -1.441) 11.328 21.691 ( -1.486 11.633 2.975) 12.099 22.000 ( -3.301 -7.646 -0.407) 8.338 22.155 ( -2.502 -9.513 0.338) 9.843 26.319 ( 0.219 23.663 2.843) 23.834 26.862 ( 9.800 16.260 -8.061) 20.625 27.402 ( -0.633 -27.439 -0.586) 27.453 27.618 ( -0.099 -22.632 2.044) 22.724 30.005 ( -2.300 5.305 2.739) 6.398 30.060 ( -0.269 0.880 -0.772) 1.201 30.196 ( -1.725 2.677 0.600) 3.241 30.323 ( -5.385 -2.569 0.840) 6.025 31.182 ( -2.318 1.796 0.877) 3.060 31.345 ( -2.928 -2.412 -2.706) 4.660 31.405 ( -0.590 -5.713 0.627) 5.778 31.462 ( -5.568 -4.727 2.732) 7.797 32.730 ( 0.304 8.689 0.919) 8.742 32.882 ( 1.467 7.994 -2.234) 8.428 33.007 ( 2.074 -3.291 2.236) 4.487 33.198 ( 2.591 -5.788 -0.702) 6.380 36.437 ( -1.185 -0.823 0.990) 1.749 36.499 ( -0.555 -3.289 0.246) 3.344 36.786 ( 4.705 3.150 -3.113) 6.461 36.876 ( 5.724 -0.577 -5.665) 8.074 37.141 ( -1.611 3.179 5.339) 6.419 37.285 ( -1.949 -3.769 7.999) 9.054 37.511 ( -0.406 7.819 -2.844) 8.330 37.771 ( 0.915 -4.322 -4.104) 6.030 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.00 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 2.224 -4.628 0.425) 5.152 1.955 ( 2.224 4.628 0.425) 5.152 2.147 ( 5.529 -14.053 -5.707) 16.144 2.147 ( 5.529 14.053 -5.707) 16.144 2.359 ( -5.945 -6.665 0.593) 8.951 2.359 ( -5.945 6.665 0.593) 8.951 2.564 ( 1.860 -2.114 4.021) 4.909 2.564 ( 1.860 2.114 4.021) 4.909 2.862 ( -0.186 -4.690 -3.260) 5.714 2.862 ( -0.186 4.690 -3.259) 5.714 3.022 ( -7.420 -7.815 8.120) 13.493 3.022 ( -7.420 7.815 8.120) 13.493 3.231 ( 7.229 -4.223 0.193) 8.374 3.231 ( 7.229 4.223 0.193) 8.374 3.320 ( -1.686 -3.101 -2.343) 4.237 3.320 ( -1.686 3.102 -2.343) 4.237 3.886 ( 4.360 -2.614 -5.724) 7.655 3.886 ( 4.360 2.614 -5.724) 7.655 4.018 ( -5.762 -5.169 -1.863) 7.962 4.018 ( -5.762 5.169 -1.863) 7.962 4.249 ( 3.028 -3.044 1.861) 4.680 4.249 ( 3.028 3.044 1.861) 4.680 4.318 ( -2.151 -2.436 0.361) 3.270 4.318 ( -2.151 2.436 0.361) 3.270 4.609 ( -0.159 -3.737 1.815) 4.157 4.609 ( -0.159 3.737 1.815) 4.157 4.637 ( 2.090 -1.581 -2.405) 3.557 4.637 ( 2.090 1.581 -2.405) 3.557 4.879 ( 2.631 -3.652 3.982) 6.010 4.879 ( 2.631 3.652 3.982) 6.010 5.152 ( -6.094 -3.069 -6.046) 9.116 5.152 ( -6.094 3.069 -6.046) 9.116 5.286 ( 0.759 -3.334 -1.926) 3.924 5.286 ( 0.759 3.334 -1.926) 3.924 5.531 ( 2.845 -1.308 2.985) 4.326 5.531 ( 2.845 1.308 2.985) 4.326 5.569 ( -0.794 -2.060 1.764) 2.826 5.569 ( -0.794 2.060 1.764) 2.826 5.657 ( 0.475 -5.151 0.329) 5.183 5.657 ( 0.475 5.151 0.329) 5.183 5.967 ( -2.003 -2.734 0.398) 3.412 5.967 ( -2.003 2.734 0.398) 3.412 6.133 ( 2.124 -3.747 -1.312) 4.503 6.133 ( 2.124 3.747 -1.312) 4.503 6.519 ( -1.931 -2.131 4.035) 4.955 6.519 ( -1.931 2.131 4.035) 4.955 6.706 ( -0.005 -4.062 1.162) 4.225 6.706 ( -0.005 4.062 1.162) 4.225 7.490 ( -0.947 -1.589 1.504) 2.384 7.490 ( -0.947 1.589 1.504) 2.384 7.656 ( 0.672 -2.598 -1.536) 3.092 7.656 ( 0.672 2.598 -1.536) 3.092 7.768 ( 1.560 -1.810 1.325) 2.732 7.768 ( 1.560 1.810 1.325) 2.732 7.924 ( -1.006 -0.146 -3.047) 3.212 7.924 ( -1.006 0.146 -3.047) 3.212 9.754 ( -0.333 -4.109 0.385) 4.140 9.754 ( -0.333 4.109 0.385) 4.140 9.812 ( 0.158 -4.218 -0.890) 4.314 9.812 ( 0.158 4.218 -0.890) 4.314 10.130 ( -0.279 -4.253 1.368) 4.477 10.130 ( -0.279 4.253 1.368) 4.477 10.257 ( 0.977 -4.085 -2.422) 4.849 10.257 ( 0.977 4.085 -2.422) 4.849 11.401 ( -0.368 -0.247 -1.037) 1.128 11.401 ( -0.368 0.247 -1.037) 1.128 11.500 ( 0.105 -0.226 1.665) 1.683 11.500 ( 0.105 0.226 1.665) 1.683 12.192 ( -0.514 -3.786 -0.004) 3.820 12.192 ( -0.514 3.786 -0.004) 3.820 12.217 ( 0.602 -3.547 -0.504) 3.632 12.217 ( 0.602 3.547 -0.504) 3.632 14.018 ( -0.007 -8.117 2.533) 8.503 14.018 ( -0.007 8.117 2.533) 8.503 14.163 ( -0.730 -2.540 -3.624) 4.485 14.163 ( -0.730 2.540 -3.624) 4.485 14.407 ( 1.235 -5.827 1.178) 6.072 14.407 ( 1.235 5.827 1.178) 6.072 14.682 ( -1.059 -10.613 -1.912) 10.836 14.682 ( -1.059 10.613 -1.912) 10.836 16.055 ( 0.106 -3.579 -1.709) 3.968 16.055 ( 0.106 3.579 -1.709) 3.968 16.149 ( -1.057 -2.406 1.827) 3.201 16.149 ( -1.057 2.406 1.827) 3.201 16.266 ( -0.102 -5.118 -0.102) 5.120 16.266 ( -0.102 5.118 -0.102) 5.120 16.352 ( 1.315 -4.668 0.992) 4.950 16.352 ( 1.315 4.668 0.992) 4.950 20.215 ( -0.093 -4.104 0.333) 4.118 20.215 ( -0.093 4.104 0.333) 4.118 20.309 ( 0.187 -2.464 -0.400) 2.503 20.309 ( 0.187 2.464 -0.400) 2.503 21.823 ( 1.521 -8.322 1.399) 8.575 21.823 ( 1.521 8.322 1.399) 8.575 21.900 ( -1.518 -10.140 -0.430) 10.262 21.900 ( -1.518 10.140 -0.430) 10.262 26.851 ( -0.836 -22.748 2.353) 22.885 26.851 ( -0.836 22.748 2.353) 22.885 27.216 ( 0.906 -14.968 -4.359) 15.616 27.216 ( 0.906 14.968 -4.359) 15.616 30.093 ( 1.571 -0.748 3.029) 3.493 30.093 ( 1.571 0.748 3.029) 3.493 30.211 ( -1.386 -2.435 -1.407) 3.136 30.211 ( -1.386 2.435 -1.407) 3.136 31.208 ( -0.290 -2.739 -0.717) 2.846 31.208 ( -0.290 2.739 -0.717) 2.846 31.390 ( 0.168 -0.952 1.616) 1.883 31.390 ( 0.168 0.952 1.616) 1.883 32.891 ( -0.052 -4.664 -0.167) 4.667 32.891 ( -0.052 4.664 -0.167) 4.667 33.086 ( 0.102 -5.223 0.386) 5.238 33.086 ( 0.102 5.223 0.386) 5.238 36.445 ( -0.353 -1.416 0.990) 1.763 36.445 ( -0.353 1.416 0.990) 1.763 36.863 ( 3.359 -2.038 -5.827) 7.028 36.863 ( 3.359 2.038 -5.827) 7.028 37.229 ( -5.577 -2.985 8.087) 10.267 37.229 ( -5.577 2.985 8.087) 10.267 37.638 ( 2.426 -5.766 -3.948) 7.397 37.638 ( 2.426 5.766 -3.948) 7.397 ======================= Grid point 115 (59/90) ======================= q-point: ( 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 3.081 -4.483 -2.366) 5.932 1.994 ( 3.081 4.483 -2.366) 5.932 2.133 ( 1.683 -6.934 -4.781) 8.589 2.133 ( 1.683 6.935 -4.781) 8.589 2.360 ( 0.623 -2.229 4.016) 4.635 2.360 ( 0.623 2.229 4.016) 4.635 2.629 ( -0.087 -1.762 3.024) 3.501 2.629 ( -0.087 1.763 3.024) 3.501 2.835 ( 4.256 -3.597 -2.984) 6.321 2.835 ( 4.256 3.597 -2.984) 6.321 3.041 ( 2.454 -4.395 5.058) 7.136 3.041 ( 2.454 4.395 5.058) 7.136 3.264 ( -1.518 -5.369 0.265) 5.586 3.264 ( -1.518 5.369 0.265) 5.586 3.431 ( 11.435 -1.997 -2.032) 11.784 3.431 ( 11.435 1.997 -2.032) 11.784 3.836 ( -2.108 -5.904 -5.167) 8.124 3.836 ( -2.108 5.904 -5.167) 8.124 4.016 ( 4.690 -1.967 1.690) 5.360 4.016 ( 4.690 1.967 1.690) 5.360 4.276 ( -1.359 -2.412 -0.966) 2.932 4.276 ( -1.359 2.412 -0.966) 2.932 4.308 ( 1.327 -2.223 1.752) 3.126 4.308 ( 1.327 2.223 1.752) 3.126 4.607 ( 0.089 -3.864 -2.112) 4.404 4.607 ( 0.089 3.864 -2.112) 4.404 4.668 ( 2.061 -1.319 0.709) 2.548 4.668 ( 2.061 1.319 0.709) 2.548 4.892 ( -6.258 -4.755 -1.244) 7.958 4.892 ( -6.258 4.755 -1.244) 7.958 5.034 ( 0.482 -2.782 1.898) 3.402 5.034 ( 0.482 2.782 1.898) 3.402 5.302 ( 2.236 -2.914 -1.604) 4.007 5.302 ( 2.236 2.914 -1.604) 4.007 5.488 ( -5.188 -1.789 0.251) 5.494 5.488 ( -5.188 1.789 0.251) 5.494 5.630 ( 3.298 -1.495 0.040) 3.622 5.630 ( 3.298 1.495 0.040) 3.622 5.756 ( 9.120 -1.495 1.201) 9.319 5.756 ( 9.120 1.495 1.201) 9.319 5.963 ( -0.472 -1.973 1.441) 2.489 5.963 ( -0.472 1.973 1.441) 2.489 6.165 ( 4.337 -2.701 -2.519) 5.697 6.165 ( 4.337 2.701 -2.519) 5.697 6.535 ( -1.207 -2.234 4.257) 4.957 6.535 ( -1.207 2.234 4.257) 4.957 6.711 ( -0.469 -1.652 0.962) 1.968 6.711 ( -0.469 1.652 0.962) 1.968 7.483 ( -1.660 -1.775 1.464) 2.837 7.483 ( -1.660 1.775 1.464) 2.837 7.636 ( -1.092 -2.170 -1.465) 2.837 7.636 ( -1.092 2.171 -1.465) 2.837 7.808 ( 0.675 -2.758 1.847) 3.387 7.808 ( 0.675 2.758 1.847) 3.387 7.870 ( -1.129 -0.415 -3.503) 3.704 7.870 ( -1.129 0.415 -3.503) 3.704 9.707 ( -5.717 -3.869 0.532) 6.923 9.707 ( -5.717 3.869 0.532) 6.923 9.751 ( -6.274 -3.362 -0.849) 7.169 9.751 ( -6.274 3.362 -0.849) 7.169 10.141 ( -0.043 -4.282 1.311) 4.479 10.141 ( -0.043 4.282 1.311) 4.479 10.253 ( 1.447 -4.678 -2.405) 5.456 10.253 ( 1.447 4.678 -2.405) 5.456 11.391 ( 0.120 -0.767 -0.513) 0.931 11.391 ( 0.120 0.767 -0.513) 0.931 11.529 ( 1.649 -0.424 1.275) 2.128 11.529 ( 1.649 0.424 1.275) 2.128 12.149 ( -4.380 -3.664 -0.155) 5.713 12.149 ( -4.380 3.664 -0.155) 5.713 12.200 ( -2.103 -4.195 -0.331) 4.704 12.200 ( -2.103 4.195 -0.331) 4.704 14.027 ( -1.568 -8.458 1.246) 8.692 14.027 ( -1.568 8.458 1.246) 8.692 14.136 ( 0.680 -1.238 -0.991) 1.726 14.136 ( 0.680 1.238 -0.991) 1.726 14.401 ( -2.219 -5.780 -1.026) 6.276 14.401 ( -2.219 5.780 -1.026) 6.276 14.647 ( -1.378 -10.563 -0.173) 10.653 14.647 ( -1.378 10.563 -0.173) 10.653 16.046 ( 0.480 -0.789 -1.288) 1.585 16.046 ( 0.480 0.789 -1.288) 1.585 16.159 ( 0.165 -2.384 1.707) 2.937 16.159 ( 0.165 2.384 1.707) 2.937 16.270 ( 0.220 -3.779 0.530) 3.822 16.270 ( 0.220 3.779 0.530) 3.822 16.368 ( 0.218 -4.386 -0.428) 4.412 16.368 ( 0.218 4.386 -0.428) 4.412 20.221 ( 0.419 -1.105 0.375) 1.239 20.221 ( 0.419 1.105 0.375) 1.239 20.312 ( 0.537 -0.167 -0.481) 0.740 20.312 ( 0.537 0.167 -0.481) 0.740 21.834 ( -0.795 -8.793 -0.256) 8.833 21.834 ( -0.795 8.793 -0.256) 8.833 21.932 ( 4.716 -6.132 0.945) 7.793 21.932 ( 4.716 6.132 0.945) 7.793 26.851 ( -1.945 -16.303 2.161) 16.561 26.851 ( -1.945 16.303 2.161) 16.561 27.166 ( -1.736 -12.970 -3.514) 13.549 27.166 ( -1.736 12.970 -3.514) 13.549 30.105 ( -1.984 -2.692 -0.140) 3.347 30.105 ( -1.984 2.692 -0.140) 3.347 30.248 ( 5.705 -5.258 0.996) 7.822 30.248 ( 5.705 5.258 0.996) 7.822 31.225 ( 2.763 -1.593 -0.354) 3.209 31.225 ( 2.763 1.593 -0.354) 3.209 31.429 ( 2.735 -4.477 1.122) 5.365 31.429 ( 2.735 4.477 1.122) 5.365 32.883 ( -0.755 -2.418 -0.056) 2.534 32.883 ( -0.755 2.418 -0.056) 2.534 33.070 ( -2.477 -2.404 0.172) 3.456 33.070 ( -2.477 2.404 0.172) 3.456 36.451 ( -0.117 -0.849 0.873) 1.223 36.451 ( -0.117 0.849 0.873) 1.223 36.846 ( 1.720 -1.400 -5.773) 6.185 36.846 ( 1.720 1.400 -5.773) 6.185 37.187 ( -8.573 -2.624 7.645) 11.783 37.187 ( -8.573 2.624 7.645) 11.783 37.661 ( 4.320 -5.984 -3.155) 8.026 37.661 ( 4.320 5.984 -3.155) 8.026 ======================= Grid point 117 (60/90) ======================= q-point: ( 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 6.158 -4.495 -3.277) 8.298 2.034 ( 6.158 4.495 -3.277) 8.298 2.135 ( 4.359 -5.885 -6.098) 9.530 2.135 ( 4.359 5.885 -6.098) 9.530 2.382 ( -3.391 -8.385 5.297) 10.481 2.382 ( -3.391 8.385 5.297) 10.481 2.658 ( 2.552 -5.523 1.761) 6.334 2.658 ( 2.552 5.523 1.761) 6.334 2.921 ( 0.301 -4.618 4.050) 6.149 2.921 ( 0.301 4.618 4.050) 6.149 3.161 ( 10.396 -1.251 -4.164) 11.269 3.161 ( 10.396 1.252 -4.164) 11.269 3.267 ( 2.217 -7.674 1.397) 8.109 3.267 ( 2.217 7.674 1.397) 8.110 3.529 ( 4.121 -0.661 -1.071) 4.309 3.529 ( 4.121 0.661 -1.071) 4.309 3.773 ( -0.661 -5.146 -2.057) 5.581 3.773 ( -0.661 5.146 -2.057) 5.581 4.107 ( 0.829 -2.932 -1.704) 3.491 4.107 ( 0.829 2.932 -1.704) 3.491 4.242 ( -0.796 -4.409 3.546) 5.713 4.242 ( -0.796 4.409 3.546) 5.713 4.376 ( 2.721 -1.703 0.249) 3.219 4.376 ( 2.721 1.703 0.249) 3.219 4.586 ( 2.101 -2.562 -0.827) 3.415 4.586 ( 2.101 2.562 -0.827) 3.415 4.702 ( -1.536 -4.073 1.053) 4.479 4.702 ( -1.536 4.073 1.053) 4.479 4.775 ( 0.414 -6.375 -2.019) 6.700 4.775 ( 0.414 6.375 -2.019) 6.700 5.133 ( 3.096 -2.371 1.172) 4.072 5.133 ( 3.096 2.371 1.172) 4.072 5.271 ( -1.342 -4.237 -2.470) 5.085 5.271 ( -1.342 4.237 -2.470) 5.085 5.454 ( 0.793 -1.162 1.635) 2.157 5.454 ( 0.793 1.162 1.635) 2.157 5.675 ( 2.308 -2.093 -1.025) 3.280 5.675 ( 2.308 2.093 -1.025) 3.280 5.895 ( 4.134 -2.751 1.135) 5.094 5.895 ( 4.134 2.751 1.135) 5.094 5.982 ( 2.636 -2.670 1.201) 3.939 5.982 ( 2.636 2.670 1.201) 3.939 6.232 ( 6.720 -1.490 -2.301) 7.258 6.232 ( 6.720 1.490 -2.301) 7.258 6.557 ( -1.304 -3.024 4.032) 5.206 6.557 ( -1.304 3.024 4.032) 5.206 6.715 ( 0.540 -1.614 -0.221) 1.716 6.715 ( 0.540 1.614 -0.221) 1.716 7.468 ( -1.637 -1.549 1.094) 2.505 7.468 ( -1.637 1.549 1.094) 2.505 7.599 ( -1.731 -1.059 -0.918) 2.227 7.599 ( -1.731 1.059 -0.918) 2.227 7.789 ( -1.300 -0.925 -3.424) 3.777 7.789 ( -1.300 0.925 -3.424) 3.777 7.851 ( -1.214 -2.735 2.292) 3.770 7.851 ( -1.214 2.735 2.292) 3.770 9.588 ( -8.997 -4.491 0.736) 10.082 9.588 ( -8.997 4.491 0.736) 10.082 9.611 ( -9.108 -2.297 -0.661) 9.416 9.611 ( -9.108 2.297 -0.661) 9.416 10.151 ( -0.192 -4.533 0.885) 4.623 10.151 ( -0.192 4.533 0.885) 4.623 10.257 ( 1.572 -5.004 -1.845) 5.560 10.257 ( 1.572 5.004 -1.845) 5.560 11.394 ( 0.475 -1.018 0.073) 1.126 11.394 ( 0.475 1.018 0.073) 1.126 11.575 ( 2.635 -0.491 0.399) 2.710 11.575 ( 2.635 0.491 0.399) 2.710 12.066 ( -5.178 -4.218 0.382) 6.689 12.066 ( -5.178 4.218 0.382) 6.689 12.146 ( -3.643 -4.598 -0.597) 5.897 12.146 ( -3.643 4.598 -0.597) 5.897 14.006 ( -0.901 -11.074 -0.414) 11.118 14.006 ( -0.901 11.074 -0.414) 11.118 14.152 ( -0.186 -1.014 2.486) 2.691 14.152 ( -0.186 1.014 2.486) 2.691 14.327 ( -3.753 -5.477 -2.901) 7.246 14.327 ( -3.753 5.477 -2.901) 7.246 14.639 ( -0.644 -8.405 1.501) 8.562 14.639 ( -0.644 8.405 1.501) 8.562 16.044 ( 0.301 -3.198 -0.407) 3.238 16.044 ( 0.301 3.198 -0.407) 3.238 16.182 ( 0.438 -2.716 1.394) 3.084 16.182 ( 0.438 2.716 1.394) 3.084 16.278 ( 0.151 -5.407 0.273) 5.416 16.278 ( 0.151 5.407 0.273) 5.416 16.358 ( 0.264 -4.983 -1.598) 5.239 16.358 ( 0.264 4.983 -1.598) 5.239 20.235 ( 0.871 -2.456 0.149) 2.610 20.235 ( 0.871 2.456 0.149) 2.610 20.315 ( 0.266 -3.004 -0.292) 3.030 20.315 ( 0.266 3.004 -0.292) 3.030 21.823 ( 0.297 -12.185 -0.786) 12.214 21.823 ( 0.297 12.185 -0.786) 12.214 22.027 ( 4.978 -9.160 0.893) 10.464 22.027 ( 4.978 9.160 0.893) 10.464 26.833 ( -2.400 -17.168 1.669) 17.415 26.833 ( -2.400 17.168 1.669) 17.415 27.103 ( -2.514 -20.130 -1.927) 20.378 27.103 ( -2.514 20.130 -1.927) 20.378 30.076 ( -0.258 -3.425 -0.864) 3.542 30.076 ( -0.258 3.425 -0.864) 3.542 30.354 ( 5.186 -6.772 0.704) 8.558 30.354 ( 5.186 6.772 0.704) 8.558 31.281 ( 3.764 -1.137 0.243) 3.939 31.281 ( 3.764 1.137 0.243) 3.939 31.494 ( 4.165 -8.162 0.058) 9.164 31.494 ( 4.165 8.162 0.058) 9.164 32.868 ( -1.017 -1.564 0.081) 1.868 32.868 ( -1.017 1.564 0.081) 1.868 33.014 ( -3.966 -2.421 -0.157) 4.649 33.014 ( -3.966 2.421 -0.157) 4.649 36.457 ( -0.029 -0.807 0.833) 1.160 36.457 ( -0.029 0.807 0.833) 1.160 36.807 ( 0.565 -0.512 -5.815) 5.865 36.807 ( 0.565 0.512 -5.815) 5.865 37.123 ( -7.741 -2.272 7.434) 10.970 37.123 ( -7.741 2.272 7.434) 10.970 37.703 ( 3.716 -6.194 -2.316) 7.585 37.703 ( 3.716 6.194 -2.316) 7.585 ======================= Grid point 119 (61/90) ======================= q-point: ( 0.38 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 7.527 -5.081 -6.809) 11.351 2.125 ( 7.527 5.081 -6.809) 11.351 2.147 ( 4.033 -7.324 -0.806) 8.400 2.147 ( 4.032 7.324 -0.806) 8.400 2.386 ( -1.615 -9.739 3.673) 10.533 2.386 ( -1.615 9.739 3.673) 10.533 2.688 ( -1.188 -7.285 -2.229) 7.710 2.688 ( -1.188 7.285 -2.229) 7.710 2.911 ( -3.219 -9.034 4.639) 10.654 2.911 ( -3.219 9.034 4.639) 10.654 3.281 ( 8.157 -3.342 -2.722) 9.226 3.281 ( 8.157 3.343 -2.722) 9.226 3.324 ( 2.072 -3.527 0.638) 4.140 3.324 ( 2.072 3.527 0.638) 4.140 3.627 ( 6.596 -6.422 2.502) 9.540 3.627 ( 6.596 6.422 2.502) 9.540 3.774 ( 0.224 -3.517 1.786) 3.950 3.774 ( 0.224 3.517 1.786) 3.950 4.023 ( -4.589 -5.108 -2.227) 7.219 4.023 ( -4.589 5.108 -2.227) 7.219 4.251 ( -2.175 -2.280 -1.305) 3.410 4.251 ( -2.175 2.280 -1.305) 3.410 4.367 ( -0.350 -3.381 0.227) 3.407 4.367 ( -0.350 3.381 0.227) 3.407 4.617 ( -2.742 -2.334 1.346) 3.844 4.617 ( -2.742 2.334 1.346) 3.844 4.745 ( 6.147 -1.630 2.497) 6.832 4.745 ( 6.147 1.630 2.497) 6.832 4.840 ( 4.249 -1.067 -3.456) 5.580 4.840 ( 4.249 1.067 -3.456) 5.580 5.043 ( -2.799 -1.712 -3.731) 4.969 5.043 ( -2.799 1.712 -3.731) 4.969 5.339 ( 3.836 -1.057 2.618) 4.763 5.339 ( 3.836 1.057 2.618) 4.763 5.487 ( 1.019 -1.366 -0.877) 1.917 5.487 ( 1.019 1.366 -0.877) 1.917 5.701 ( 2.534 -2.722 0.439) 3.744 5.701 ( 2.534 2.722 0.439) 3.744 5.908 ( -1.785 -1.141 0.414) 2.158 5.908 ( -1.785 1.141 0.414) 2.158 6.066 ( 4.324 -2.620 1.185) 5.193 6.066 ( 4.324 2.620 1.185) 5.193 6.324 ( 5.508 -0.496 -0.675) 5.572 6.324 ( 5.508 0.496 -0.675) 5.572 6.569 ( -1.601 -4.806 2.979) 5.877 6.569 ( -1.601 4.806 2.979) 5.877 6.717 ( 1.090 -0.387 -2.779) 3.010 6.717 ( 1.090 0.387 -2.779) 3.010 7.456 ( -1.056 -1.328 1.418) 2.211 7.456 ( -1.056 1.328 1.418) 2.211 7.570 ( -0.802 -0.336 -0.633) 1.076 7.570 ( -0.802 0.336 -0.633) 1.076 7.737 ( -1.188 -1.239 -2.096) 2.710 7.737 ( -1.188 1.239 -2.096) 2.710 7.844 ( -2.129 -2.541 2.080) 3.914 7.844 ( -2.129 2.541 2.080) 3.914 9.456 ( -7.101 -5.781 0.664) 9.181 9.456 ( -7.101 5.781 0.664) 9.181 9.470 ( -6.612 -3.101 -0.242) 7.307 9.470 ( -6.612 3.101 -0.242) 7.307 10.153 ( -0.416 -4.685 0.740) 4.761 10.153 ( -0.416 4.685 0.740) 4.761 10.267 ( 1.420 -4.713 -1.379) 5.112 10.267 ( 1.420 4.713 -1.379) 5.112 11.406 ( 0.507 -1.003 0.709) 1.329 11.406 ( 0.507 1.003 0.709) 1.329 11.609 ( 1.710 -0.464 -1.486) 2.312 11.609 ( 1.710 0.464 -1.486) 2.312 12.004 ( -3.220 -4.454 1.329) 5.655 12.004 ( -3.220 4.454 1.329) 5.655 12.084 ( -2.572 -5.123 -0.657) 5.770 12.084 ( -2.572 5.123 -0.657) 5.770 13.994 ( -0.072 -13.261 -0.628) 13.276 13.994 ( -0.072 13.261 -0.628) 13.276 14.173 ( -1.943 -5.702 4.590) 7.573 14.173 ( -1.943 5.702 4.590) 7.573 14.246 ( -1.092 -8.690 -3.612) 9.474 14.246 ( -1.092 8.690 -3.612) 9.474 14.645 ( -0.638 -7.058 1.421) 7.228 14.645 ( -0.638 7.058 1.421) 7.228 16.050 ( 0.364 -4.919 0.735) 4.987 16.050 ( 0.364 4.919 0.735) 4.987 16.190 ( -0.739 -3.664 0.402) 3.760 16.190 ( -0.739 3.664 0.402) 3.760 16.277 ( 0.191 -6.735 -0.841) 6.790 16.277 ( 0.191 6.735 -0.841) 6.790 16.355 ( 0.967 -4.254 -1.194) 4.523 16.355 ( 0.967 4.254 -1.194) 4.523 20.249 ( 0.744 -4.806 -0.220) 4.868 20.249 ( 0.744 4.806 -0.220) 4.868 20.316 ( -0.004 -4.875 0.079) 4.875 20.316 ( -0.004 4.875 0.079) 4.875 21.828 ( 0.834 -11.948 -0.340) 11.982 21.828 ( 0.834 11.948 -0.340) 11.982 22.096 ( 2.701 -9.004 -0.040) 9.401 22.096 ( 2.701 9.004 -0.040) 9.401 26.817 ( -1.645 -23.472 2.197) 23.632 26.817 ( -1.645 23.472 2.197) 23.632 27.049 ( -1.682 -27.676 -1.798) 27.786 27.049 ( -1.682 27.676 -1.798) 27.786 30.085 ( 1.169 -3.031 1.141) 3.443 30.085 ( 1.169 3.031 1.141) 3.443 30.414 ( 2.454 -6.890 -1.437) 7.453 30.414 ( 2.454 6.890 -1.437) 7.453 31.340 ( 2.451 -2.512 0.885) 3.620 31.340 ( 2.451 2.512 0.885) 3.620 31.551 ( 3.122 -10.362 -1.295) 10.899 31.551 ( 3.122 10.362 -1.295) 10.899 32.853 ( -0.831 -4.835 -0.086) 4.907 32.853 ( -0.831 4.835 -0.086) 4.907 32.952 ( -2.973 -6.230 -0.057) 6.904 32.952 ( -2.973 6.230 -0.057) 6.904 36.469 ( 0.031 -1.286 1.571) 2.031 36.469 ( 0.031 1.286 1.571) 2.031 36.753 ( 0.441 -0.377 -6.495) 6.521 36.753 ( 0.441 0.377 -6.495) 6.521 37.090 ( -5.180 -1.178 7.503) 9.193 37.090 ( -5.180 1.178 7.503) 9.193 37.731 ( 2.308 -5.174 -2.081) 6.036 37.731 ( 2.308 5.174 -2.081) 6.036 ======================= Grid point 121 (62/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 1.988 -5.126 -5.676) 7.903 2.120 ( 1.988 5.126 -5.676) 7.903 2.228 ( -0.535 -4.174 2.129) 4.716 2.228 ( -0.535 4.174 2.129) 4.716 2.389 ( 2.056 -5.323 -1.269) 5.846 2.389 ( 2.056 5.323 -1.270) 5.846 2.628 ( 0.802 -7.275 -4.119) 8.398 2.628 ( 0.802 7.275 -4.119) 8.399 2.899 ( -6.936 -7.569 6.129) 11.957 2.899 ( -6.936 7.569 6.129) 11.957 3.308 ( 0.118 -1.108 -2.092) 2.371 3.308 ( 0.118 1.108 -2.092) 2.371 3.432 ( 6.873 -3.887 3.661) 8.703 3.432 ( 6.873 3.887 3.661) 8.703 3.679 ( -5.776 -0.318 -0.337) 5.794 3.679 ( -5.776 0.318 -0.337) 5.795 3.776 ( 1.299 -1.100 1.771) 2.456 3.776 ( 1.299 1.100 1.771) 2.456 4.039 ( 4.904 -2.154 3.765) 6.547 4.039 ( 4.904 2.154 3.765) 6.547 4.210 ( 1.663 -1.026 -2.770) 3.389 4.210 ( 1.663 1.026 -2.770) 3.389 4.349 ( -3.368 -3.461 -1.764) 5.141 4.349 ( -3.368 3.461 -1.764) 5.141 4.596 ( -0.913 -3.933 0.665) 4.092 4.596 ( -0.913 3.933 0.665) 4.092 4.719 ( -4.026 -1.278 -4.340) 6.056 4.719 ( -4.026 1.278 -4.340) 6.056 4.830 ( -0.514 -2.283 0.188) 2.347 4.830 ( -0.514 2.283 0.188) 2.347 5.117 ( 7.530 -1.422 -1.251) 7.764 5.117 ( 7.530 1.422 -1.251) 7.764 5.375 ( -1.635 -1.217 2.124) 2.944 5.375 ( -1.635 1.217 2.124) 2.944 5.460 ( -1.309 -4.112 -2.311) 4.895 5.460 ( -1.309 4.112 -2.311) 4.895 5.776 ( 2.854 -2.389 3.146) 4.873 5.776 ( 2.854 2.389 3.146) 4.873 5.862 ( -3.459 -1.476 -0.460) 3.789 5.862 ( -3.459 1.476 -0.460) 3.789 6.120 ( 0.269 -1.821 1.490) 2.368 6.120 ( 0.269 1.821 1.490) 2.368 6.381 ( 1.381 -0.615 0.389) 1.561 6.381 ( 1.381 0.615 0.389) 1.561 6.543 ( -4.035 -5.253 0.698) 6.661 6.543 ( -4.035 5.253 0.698) 6.661 6.696 ( 0.470 -1.651 -3.521) 3.917 6.696 ( 0.470 1.651 -3.521) 3.917 7.466 ( 0.138 -1.004 1.804) 2.069 7.466 ( 0.138 1.004 1.804) 2.069 7.556 ( -0.149 -0.444 -0.613) 0.771 7.556 ( -0.149 0.444 -0.613) 0.771 7.727 ( 1.731 -3.041 -0.726) 3.573 7.727 ( 1.731 3.041 -0.726) 3.573 7.834 ( -0.677 -1.278 1.365) 1.988 7.834 ( -0.677 1.278 1.365) 1.988 9.395 ( -0.524 -5.280 0.452) 5.325 9.395 ( -0.524 5.280 0.452) 5.325 9.416 ( 0.605 -2.924 0.085) 2.987 9.416 ( 0.605 2.924 0.085) 2.987 10.153 ( -0.636 -4.620 0.881) 4.746 10.153 ( -0.636 4.620 0.881) 4.746 10.274 ( 1.145 -4.318 -1.327) 4.660 10.274 ( 1.145 4.318 -1.327) 4.660 11.424 ( 0.329 -0.814 1.502) 1.740 11.424 ( 0.329 0.814 1.502) 1.740 11.593 ( -0.783 -0.445 -3.078) 3.207 11.593 ( -0.783 0.445 -3.078) 3.207 11.988 ( -0.417 -4.440 1.583) 4.732 11.988 ( -0.417 4.440 1.583) 4.732 12.064 ( 0.677 -5.002 -0.317) 5.057 12.064 ( 0.677 5.002 -0.317) 5.057 13.990 ( 0.122 -11.899 -0.208) 11.901 13.990 ( 0.122 11.899 -0.208) 11.901 14.156 ( -1.965 -7.655 0.601) 7.926 14.156 ( -1.965 7.655 0.601) 7.926 14.253 ( 2.295 -4.139 0.666) 4.780 14.253 ( 2.295 4.139 0.666) 4.780 14.645 ( -0.752 -6.660 1.040) 6.783 14.645 ( -0.752 6.660 1.040) 6.783 16.073 ( 0.794 -4.759 2.045) 5.240 16.073 ( 0.794 4.759 2.045) 5.240 16.167 ( -1.332 -4.065 -1.194) 4.441 16.167 ( -1.332 4.065 -1.194) 4.441 16.271 ( 0.155 -5.500 -1.036) 5.598 16.271 ( 0.155 5.500 -1.036) 5.599 16.359 ( 0.549 -2.602 -0.882) 2.801 16.359 ( 0.549 2.602 -0.882) 2.801 20.252 ( -0.128 -3.172 -0.247) 3.185 20.252 ( -0.128 3.172 -0.247) 3.185 20.318 ( 0.217 -3.134 0.108) 3.143 20.318 ( 0.217 3.134 0.108) 3.143 21.838 ( 0.409 -9.707 0.004) 9.716 21.838 ( 0.409 9.707 0.004) 9.716 22.111 ( -0.528 -6.987 -0.565) 7.030 22.111 ( -0.528 6.987 -0.565) 7.030 26.823 ( -1.061 -24.081 3.071) 24.300 26.823 ( -1.061 24.081 3.071) 24.300 27.021 ( 1.247 -26.627 -2.496) 26.773 27.021 ( 1.247 26.627 -2.496) 26.773 30.127 ( 0.836 -2.291 3.200) 4.023 30.127 ( 0.836 2.291 3.200) 4.023 30.404 ( -0.710 -5.795 -3.342) 6.727 30.404 ( -0.710 5.795 -3.342) 6.727 31.372 ( -0.021 -2.206 1.370) 2.597 31.372 ( -0.021 2.206 1.370) 2.597 31.559 ( -0.260 -9.250 -2.158) 9.502 31.559 ( -0.260 9.250 -2.158) 9.502 32.841 ( -0.119 -3.180 -0.318) 3.198 32.841 ( -0.119 3.180 -0.318) 3.198 32.929 ( 0.184 -4.148 0.200) 4.157 32.929 ( 0.184 4.148 0.200) 4.157 36.486 ( -0.803 -1.356 2.628) 3.064 36.486 ( -0.803 1.356 2.628) 3.064 36.708 ( 2.904 -1.132 -7.140) 7.790 36.708 ( 2.904 1.132 -7.140) 7.790 37.096 ( -3.177 -0.130 7.235) 7.903 37.096 ( -3.177 0.130 7.235) 7.903 37.737 ( 1.030 -3.880 -2.123) 4.541 37.737 ( 1.030 3.880 -2.123) 4.541 ======================= Grid point 123 (63/90) ======================= q-point: (-0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.353 -9.274 -6.752) 11.477 2.078 ( 0.353 9.274 -6.752) 11.477 2.159 ( -6.745 -4.798 1.002) 8.338 2.159 ( -6.745 4.798 1.002) 8.338 2.461 ( 5.691 -1.878 0.107) 5.994 2.461 ( 5.691 1.878 0.107) 5.994 2.622 ( -1.719 -5.106 0.370) 5.400 2.622 ( -1.719 5.106 0.370) 5.400 2.818 ( -5.596 -1.459 2.799) 6.425 2.818 ( -5.596 1.459 2.799) 6.425 3.267 ( -5.163 -1.746 1.271) 5.597 3.267 ( -5.163 1.747 1.271) 5.597 3.451 ( -6.554 -5.446 -5.266) 10.017 3.451 ( -6.554 5.446 -5.266) 10.017 3.647 ( 2.301 -6.060 5.939) 8.791 3.647 ( 2.301 6.060 5.939) 8.791 3.840 ( 2.323 -3.478 2.696) 4.976 3.840 ( 2.323 3.478 2.696) 4.976 4.114 ( 1.162 -3.588 -1.333) 4.000 4.114 ( 1.162 3.588 -1.333) 4.000 4.171 ( -4.581 -3.834 -5.719) 8.270 4.171 ( -4.581 3.834 -5.719) 8.270 4.316 ( 4.424 -2.625 2.054) 5.539 4.316 ( 4.424 2.625 2.054) 5.539 4.597 ( 0.331 -4.287 -0.304) 4.311 4.597 ( 0.331 4.287 -0.304) 4.311 4.694 ( 1.154 -3.214 1.169) 3.609 4.694 ( 1.154 3.214 1.169) 3.609 4.807 ( -1.982 -5.190 2.849) 6.244 4.807 ( -1.982 5.190 2.849) 6.244 5.094 ( -3.664 -1.101 -8.779) 9.577 5.094 ( -3.664 1.101 -8.779) 9.577 5.387 ( -0.330 -2.675 0.555) 2.751 5.387 ( -0.330 2.675 0.555) 2.751 5.451 ( 1.145 -0.494 4.094) 4.280 5.451 ( 1.145 0.494 4.094) 4.280 5.760 ( -4.967 -3.241 -0.275) 5.937 5.760 ( -4.967 3.241 -0.275) 5.937 5.830 ( -2.480 -3.864 -0.068) 4.592 5.830 ( -2.480 3.864 -0.068) 4.592 6.111 ( -2.543 -2.640 1.870) 4.115 6.111 ( -2.543 2.640 1.870) 4.115 6.346 ( -5.531 -2.163 -1.561) 6.141 6.346 ( -5.531 2.163 -1.561) 6.141 6.502 ( -1.638 -4.342 2.724) 5.381 6.502 ( -1.638 4.342 2.724) 5.381 6.671 ( 0.102 -3.065 -2.104) 3.719 6.671 ( 0.102 3.065 -2.104) 3.719 7.480 ( -0.664 -1.508 1.376) 2.147 7.480 ( -0.664 1.508 1.376) 2.147 7.563 ( 2.146 -0.764 -0.791) 2.411 7.563 ( 2.146 0.764 -0.791) 2.411 7.747 ( 1.140 -2.836 -1.212) 3.288 7.747 ( 1.140 2.836 -1.212) 3.288 7.870 ( 3.261 -1.130 1.353) 3.707 7.870 ( 3.261 1.130 1.353) 3.707 9.450 ( 6.343 -4.311 0.390) 7.679 9.450 ( 6.343 4.311 0.390) 7.679 9.488 ( 7.489 -2.774 0.007) 7.986 9.488 ( 7.489 2.774 0.007) 7.986 10.147 ( -1.045 -4.260 0.756) 4.451 10.147 ( -1.045 4.260 0.756) 4.451 10.278 ( 0.982 -4.102 -1.369) 4.434 10.278 ( 0.982 4.102 -1.369) 4.434 11.441 ( -0.334 -1.024 1.637) 1.959 11.441 ( -0.334 1.024 1.637) 1.959 11.538 ( -1.961 -0.305 -2.403) 3.116 11.538 ( -1.961 0.305 -2.403) 3.116 12.023 ( 2.740 -4.446 1.477) 5.428 12.023 ( 2.740 4.447 1.477) 5.428 12.091 ( 2.920 -4.593 -0.806) 5.502 12.091 ( 2.920 4.593 -0.806) 5.502 13.992 ( -0.044 -10.477 0.333) 10.482 13.992 ( -0.044 10.477 0.333) 10.482 14.155 ( 1.461 -5.976 0.346) 6.162 14.155 ( 1.461 5.976 0.346) 6.162 14.293 ( 1.899 -1.593 -0.334) 2.501 14.293 ( 1.899 1.593 -0.334) 2.501 14.649 ( 0.105 -7.189 1.451) 7.334 14.649 ( 0.105 7.189 1.451) 7.334 16.106 ( 0.015 -2.410 1.737) 2.970 16.106 ( 0.015 2.410 1.737) 2.970 16.137 ( -0.356 -5.120 -0.604) 5.168 16.137 ( -0.356 5.120 -0.604) 5.168 16.262 ( -0.053 -2.849 -0.844) 2.972 16.262 ( -0.053 2.849 -0.844) 2.972 16.351 ( -0.234 -1.331 -1.222) 1.822 16.351 ( -0.234 1.331 -1.222) 1.822 20.241 ( -0.950 -1.554 -0.097) 1.824 20.241 ( -0.950 1.554 -0.097) 1.824 20.324 ( 0.372 -1.674 -0.053) 1.715 20.324 ( 0.372 1.674 -0.053) 1.715 21.837 ( -0.455 -5.000 -0.346) 5.032 21.837 ( -0.455 5.000 -0.346) 5.032 22.074 ( -3.336 -2.557 -0.029) 4.203 22.074 ( -3.336 2.557 -0.029) 4.203 26.830 ( -1.337 -22.609 2.288) 22.764 26.830 ( -1.337 22.609 2.288) 22.764 27.053 ( 5.267 -19.064 -1.884) 19.867 27.053 ( 5.267 19.064 -1.884) 19.867 30.155 ( -1.488 -2.508 2.159) 3.628 30.155 ( -1.488 2.508 2.159) 3.628 30.342 ( -2.437 -4.505 -2.463) 5.684 30.342 ( -2.437 4.505 -2.463) 5.684 31.364 ( -2.555 -2.519 1.374) 3.842 31.364 ( -2.555 2.519 1.374) 3.842 31.506 ( -3.323 -5.286 -1.784) 6.494 31.506 ( -3.323 5.286 -1.784) 6.494 32.847 ( 1.022 -2.834 -0.073) 3.013 32.847 ( 1.022 2.834 -0.073) 3.013 32.956 ( 2.779 -2.851 -0.067) 3.982 32.956 ( 2.779 2.851 -0.067) 3.982 36.484 ( -2.203 -0.938 1.911) 3.064 36.484 ( -2.203 0.938 1.911) 3.064 36.721 ( 6.550 -2.028 -6.001) 9.112 36.721 ( 6.550 2.028 -6.001) 9.112 37.124 ( -1.976 -1.134 6.791) 7.163 37.124 ( -1.976 1.134 6.791) 7.163 37.724 ( 0.034 -3.911 -2.203) 4.489 37.724 ( 0.034 3.911 -2.203) 4.489 ======================= Grid point 125 (64/90) ======================= q-point: (-0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.318 -4.667 -6.353) 7.890 2.013 ( -0.318 4.667 -6.353) 7.890 2.074 ( -1.799 -3.102 -2.105) 4.158 2.074 ( -1.799 3.102 -2.105) 4.158 2.517 ( -3.981 -8.033 4.209) 9.904 2.517 ( -3.981 8.033 4.209) 9.904 2.578 ( -4.013 -3.993 5.573) 7.944 2.578 ( -4.013 3.993 5.573) 7.944 2.813 ( 3.722 -4.369 -2.877) 6.420 2.813 ( 3.722 4.369 -2.877) 6.420 3.164 ( -10.086 -5.010 5.520) 12.543 3.164 ( -10.086 5.010 5.520) 12.543 3.294 ( -4.624 -8.110 -6.217) 11.217 3.294 ( -4.624 8.110 -6.217) 11.217 3.632 ( -8.710 -3.032 -0.739) 9.252 3.632 ( -8.710 3.032 -0.739) 9.252 3.887 ( 1.106 -5.769 -1.315) 6.019 3.887 ( 1.106 5.769 -1.315) 6.019 4.039 ( 2.109 -1.012 -2.016) 3.088 4.039 ( 2.109 1.012 -2.016) 3.088 4.217 ( 4.393 -4.794 2.751) 7.060 4.217 ( 4.393 4.794 2.751) 7.060 4.354 ( -3.447 -3.283 1.763) 5.076 4.354 ( -3.447 3.283 1.763) 5.076 4.585 ( -0.269 -1.032 -0.903) 1.398 4.585 ( -0.269 1.032 -0.903) 1.398 4.705 ( -0.669 -2.941 0.527) 3.062 4.705 ( -0.669 2.941 0.527) 3.062 4.819 ( -3.594 -1.781 -2.362) 4.655 4.819 ( -3.594 1.781 -2.362) 4.655 5.004 ( 5.859 -3.126 0.253) 6.646 5.004 ( 5.859 3.126 0.253) 6.646 5.386 ( -0.087 -3.821 1.192) 4.004 5.386 ( -0.087 3.821 1.192) 4.004 5.495 ( -0.358 -2.123 -0.678) 2.257 5.495 ( -0.358 2.123 -0.678) 2.257 5.679 ( -4.216 -3.119 -1.220) 5.385 5.679 ( -4.216 3.119 -1.220) 5.385 5.742 ( -6.698 -4.972 1.415) 8.460 5.742 ( -6.698 4.972 1.415) 8.460 6.087 ( -2.417 -1.610 1.059) 3.092 6.087 ( -2.417 1.610 1.059) 3.092 6.217 ( -6.926 -1.939 -1.772) 7.408 6.217 ( -6.926 1.939 -1.772) 7.408 6.512 ( -1.877 -1.445 3.925) 4.585 6.512 ( -1.877 1.445 3.925) 4.585 6.666 ( 1.078 -4.318 -0.587) 4.489 6.666 ( 1.078 4.318 -0.587) 4.489 7.479 ( -0.569 -1.015 1.049) 1.567 7.479 ( -0.569 1.015 1.049) 1.567 7.602 ( 3.120 -1.626 -0.868) 3.623 7.602 ( 3.120 1.626 -0.868) 3.623 7.746 ( 0.526 -2.155 -1.324) 2.583 7.746 ( 0.526 2.155 -1.324) 2.583 7.933 ( 2.619 -1.511 0.365) 3.045 7.933 ( 2.619 1.511 0.365) 3.045 9.584 ( 8.644 -4.283 0.398) 9.655 9.584 ( 8.644 4.283 0.398) 9.655 9.633 ( 9.430 -3.326 -0.335) 10.005 9.633 ( 9.430 3.326 -0.335) 10.005 10.135 ( -1.184 -3.913 0.633) 4.137 10.135 ( -1.184 3.913 0.633) 4.137 10.278 ( 0.694 -3.788 -1.594) 4.168 10.278 ( 0.694 3.788 -1.594) 4.168 11.441 ( -0.607 -0.877 -0.196) 1.085 11.441 ( -0.607 0.877 -0.196) 1.085 11.497 ( -1.827 -0.519 0.635) 2.003 11.497 ( -1.827 0.519 0.635) 2.003 12.099 ( 4.431 -4.241 1.254) 6.260 12.099 ( 4.431 4.241 1.254) 6.260 12.136 ( 3.865 -4.639 -1.424) 6.204 12.136 ( 3.865 4.640 -1.424) 6.204 13.992 ( -0.362 -11.317 0.496) 11.333 13.992 ( -0.362 11.317 0.496) 11.333 14.200 ( 2.390 -2.076 0.742) 3.252 14.200 ( 2.390 2.076 0.742) 3.252 14.309 ( 2.085 -5.682 -1.813) 6.318 14.309 ( 2.085 5.682 -1.813) 6.318 14.677 ( 1.263 -8.027 1.252) 8.222 14.677 ( 1.263 8.027 1.252) 8.222 16.093 ( -0.301 -4.499 -1.714) 4.824 16.093 ( -0.301 4.499 -1.714) 4.824 16.151 ( -1.085 -1.124 3.222) 3.581 16.151 ( -1.085 1.124 3.222) 3.581 16.261 ( 0.896 -3.280 -0.361) 3.420 16.261 ( 0.896 3.280 -0.361) 3.420 16.329 ( -0.654 -0.795 -1.491) 1.812 16.329 ( -0.654 0.795 -1.491) 1.812 20.225 ( -0.883 -3.962 0.115) 4.061 20.225 ( -0.883 3.962 0.115) 4.061 20.325 ( -0.130 -3.464 -0.265) 3.476 20.325 ( -0.130 3.464 -0.265) 3.476 21.818 ( -0.945 -1.900 -0.852) 2.287 21.818 ( -0.945 1.900 -0.852) 2.287 22.011 ( -4.590 -3.896 0.962) 6.097 22.011 ( -4.590 3.896 0.962) 6.097 26.830 ( -0.735 -25.884 1.478) 25.936 26.830 ( -0.735 25.884 1.478) 25.936 27.138 ( 6.559 -18.340 -1.741) 19.555 27.138 ( 6.559 18.340 -1.741) 19.555 30.112 ( -3.269 -1.972 -1.345) 4.048 30.112 ( -3.269 1.972 -1.345) 4.048 30.297 ( -2.659 -4.446 1.189) 5.315 30.297 ( -2.659 4.446 1.189) 5.315 31.316 ( -4.248 -5.656 0.354) 7.082 31.316 ( -4.248 5.656 0.354) 7.082 31.435 ( -3.714 -3.629 -0.054) 5.193 31.435 ( -3.714 3.629 -0.054) 5.193 32.868 ( 1.320 -5.953 0.083) 6.098 32.868 ( 1.320 5.953 0.083) 6.098 33.010 ( 3.584 -6.846 -0.157) 7.729 33.010 ( 3.584 6.846 -0.157) 7.729 36.461 ( -1.867 -1.313 0.869) 2.442 36.461 ( -1.867 1.313 0.869) 2.442 36.787 ( 7.356 -2.401 -4.970) 9.197 36.787 ( 7.356 2.401 -4.970) 9.197 37.164 ( -1.297 -2.382 6.740) 7.265 37.164 ( -1.297 2.382 6.740) 7.265 37.696 ( -0.617 -5.355 -2.504) 5.944 37.696 ( -0.617 5.355 -2.504) 5.944 ======================= Grid point 127 (65/90) ======================= q-point: (-0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -0.792 -5.143 -2.590) 5.812 1.950 ( -0.792 5.143 -2.590) 5.812 2.085 ( 6.262 -15.345 -4.444) 17.159 2.085 ( 6.262 15.345 -4.444) 17.159 2.469 ( -7.782 -7.749 6.152) 12.588 2.469 ( -7.782 7.750 6.152) 12.588 2.545 ( -2.944 -2.396 -0.289) 3.807 2.545 ( -2.944 2.396 -0.289) 3.807 2.857 ( 1.885 -8.985 1.431) 9.291 2.857 ( 1.885 8.985 1.431) 9.291 3.082 ( -7.964 -4.802 5.741) 10.929 3.082 ( -7.964 4.802 5.741) 10.929 3.186 ( 0.403 -5.000 -4.996) 7.080 3.186 ( 0.403 5.001 -4.996) 7.080 3.446 ( -10.409 -1.912 -1.064) 10.637 3.446 ( -10.409 1.912 -1.064) 10.637 3.872 ( 3.168 -3.143 -5.947) 7.435 3.872 ( 3.168 3.143 -5.947) 7.435 4.104 ( 2.354 -3.154 0.187) 3.940 4.104 ( 2.354 3.154 0.187) 3.940 4.220 ( -6.156 -3.545 1.609) 7.284 4.220 ( -6.156 3.545 1.609) 7.284 4.330 ( -0.085 -4.461 2.316) 5.028 4.330 ( -0.085 4.461 2.316) 5.028 4.591 ( 1.146 -3.287 0.066) 3.481 4.591 ( 1.146 3.287 0.066) 3.481 4.657 ( -1.786 -2.028 -3.369) 4.319 4.657 ( -1.786 2.028 -3.369) 4.319 4.793 ( 3.089 -2.690 1.405) 4.330 4.793 ( 3.089 2.690 1.405) 4.330 5.166 ( 7.221 -1.059 1.857) 7.530 5.166 ( 7.221 1.059 1.857) 7.530 5.367 ( -3.359 -5.694 -5.126) 8.366 5.367 ( -3.359 5.694 -5.126) 8.366 5.449 ( 0.696 -2.807 -0.159) 2.896 5.449 ( 0.696 2.807 -0.159) 2.896 5.612 ( -3.842 -1.833 1.552) 4.531 5.612 ( -3.842 1.833 1.552) 4.531 5.675 ( -4.762 -1.868 3.384) 6.134 5.675 ( -4.762 1.868 3.384) 6.134 6.032 ( -4.623 -2.734 -0.931) 5.451 6.032 ( -4.623 2.734 -0.931) 5.451 6.129 ( -1.204 -3.694 -0.841) 3.975 6.129 ( -1.204 3.694 -0.841) 3.975 6.516 ( -2.382 -1.278 4.074) 4.889 6.516 ( -2.382 1.278 4.074) 4.889 6.687 ( 1.088 -5.206 0.638) 5.357 6.687 ( 1.088 5.206 0.638) 5.357 7.485 ( -0.228 -0.327 1.259) 1.321 7.485 ( -0.228 0.327 1.259) 1.321 7.640 ( 2.574 -2.338 -1.025) 3.625 7.640 ( 2.574 2.338 -1.025) 3.625 7.745 ( 0.749 -0.968 -0.544) 1.339 7.745 ( 0.749 0.968 -0.544) 1.339 7.953 ( 0.312 -0.921 -1.261) 1.593 7.953 ( 0.312 0.921 -1.261) 1.593 9.708 ( 5.314 -4.567 0.390) 7.018 9.708 ( 5.314 4.567 0.390) 7.018 9.763 ( 6.464 -4.247 -0.697) 7.766 9.763 ( 6.464 4.247 -0.697) 7.766 10.126 ( -0.746 -4.095 0.965) 4.273 10.126 ( -0.746 4.095 0.965) 4.273 10.269 ( 0.446 -3.671 -2.074) 4.239 10.269 ( 0.446 3.671 -2.074) 4.239 11.421 ( -0.641 -0.415 -1.311) 1.517 11.421 ( -0.641 0.415 -1.311) 1.517 11.489 ( -0.990 -0.203 2.097) 2.328 11.489 ( -0.990 0.203 2.097) 2.328 12.170 ( 2.785 -4.420 0.291) 5.232 12.170 ( 2.785 4.420 0.291) 5.232 12.188 ( 3.575 -3.850 -0.805) 5.315 12.188 ( 3.575 3.850 -0.805) 5.315 13.997 ( -0.009 -9.569 1.310) 9.658 13.997 ( -0.009 9.569 1.310) 9.658 14.208 ( -0.371 -2.590 -2.495) 3.615 14.208 ( -0.371 2.590 -2.495) 3.615 14.353 ( 3.439 -6.853 0.879) 7.718 14.353 ( 3.439 6.853 0.879) 7.718 14.700 ( 0.770 -8.810 -0.701) 8.872 14.700 ( 0.770 8.810 -0.701) 8.872 16.073 ( -0.128 -5.212 -1.706) 5.486 16.073 ( -0.128 5.212 -1.706) 5.486 16.153 ( -1.844 -2.750 2.492) 4.144 16.153 ( -1.844 2.750 2.492) 4.144 16.273 ( 0.237 -8.266 -0.601) 8.291 16.273 ( 0.237 8.266 -0.601) 8.291 16.319 ( 0.948 -5.468 0.394) 5.564 16.319 ( 0.948 5.468 0.394) 5.564 20.216 ( -0.400 -5.137 0.289) 5.161 20.216 ( -0.400 5.137 0.289) 5.161 20.316 ( -0.420 -3.879 -0.395) 3.922 20.316 ( -0.420 3.879 -0.395) 3.922 21.801 ( -0.004 -7.671 -0.085) 7.672 21.801 ( -0.004 7.671 -0.085) 7.672 21.948 ( -4.039 -9.286 0.778) 10.156 21.948 ( -4.039 9.286 0.778) 10.156 26.838 ( -0.298 -26.312 1.812) 26.376 26.838 ( -0.298 26.312 1.812) 26.376 27.209 ( 4.557 -17.672 -3.208) 18.530 27.209 ( 4.557 17.672 -3.208) 18.530 30.065 ( -0.848 -0.888 0.117) 1.233 30.065 ( -0.848 0.888 0.117) 1.233 30.260 ( -3.278 -3.308 0.786) 4.723 30.260 ( -3.278 3.308 0.786) 4.723 31.247 ( -3.397 -4.509 -0.611) 5.679 31.247 ( -3.397 4.509 -0.611) 5.679 31.393 ( -2.219 -2.033 1.381) 3.312 31.393 ( -2.219 2.033 1.381) 3.312 32.886 ( 0.792 -6.149 -0.061) 6.200 32.886 ( 0.792 6.149 -0.061) 6.200 33.061 ( 2.468 -7.134 0.175) 7.551 33.061 ( 2.468 7.134 0.175) 7.551 36.446 ( -0.979 -1.612 0.820) 2.056 36.446 ( -0.979 1.612 0.820) 2.056 36.845 ( 5.638 -2.307 -5.354) 8.111 36.845 ( 5.638 2.307 -5.354) 8.111 37.210 ( -1.949 -3.436 7.456) 8.438 37.210 ( -1.949 3.436 7.456) 8.438 37.659 ( -0.169 -6.362 -3.334) 7.185 37.659 ( -0.169 6.362 -3.334) 7.185 ======================= Grid point 153 (66/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -2.720 0.000 -21.434) 21.605 1.184 ( 2.720 0.000 21.434) 21.605 1.287 ( -14.385 0.000 -25.317) 29.118 1.287 ( 14.385 0.000 25.317) 29.118 1.804 ( -1.885 0.000 -32.889) 32.943 1.804 ( 1.885 0.000 32.889) 32.943 2.531 ( 2.200 0.000 -13.894) 14.067 2.531 ( -2.200 0.000 13.894) 14.067 2.768 ( 7.236 0.000 -5.913) 9.345 2.768 ( -7.236 0.000 5.913) 9.345 2.991 ( 4.209 0.000 -9.123) 10.048 2.991 ( -4.209 0.000 9.123) 10.048 3.353 ( -6.009 0.000 -0.076) 6.009 3.353 ( 6.009 0.000 0.076) 6.009 3.517 ( -13.258 0.000 -10.143) 16.693 3.517 ( 13.258 0.000 10.143) 16.693 3.897 ( 0.369 0.000 -7.635) 7.644 3.897 ( -0.369 0.000 7.635) 7.644 3.925 ( -3.220 0.000 0.658) 3.286 3.925 ( 3.220 0.000 -0.658) 3.286 4.270 ( 0.216 0.000 -1.637) 1.651 4.270 ( -0.216 0.000 1.637) 1.651 4.558 ( 1.955 0.000 -1.743) 2.619 4.558 ( -1.955 0.000 1.743) 2.619 4.646 ( 8.548 0.000 -3.408) 9.203 4.646 ( -8.548 0.000 3.408) 9.203 4.710 ( -7.036 0.000 -2.353) 7.419 4.710 ( 7.036 0.000 2.353) 7.419 4.958 ( 5.211 0.000 -2.909) 5.969 4.958 ( -5.211 0.000 2.909) 5.969 5.081 ( 2.568 0.000 -2.208) 3.387 5.081 ( -2.568 0.000 2.208) 3.387 5.213 ( 2.468 0.000 -1.608) 2.945 5.213 ( -2.468 0.000 1.608) 2.945 5.271 ( -8.286 0.000 -0.236) 8.289 5.271 ( 8.286 0.000 0.236) 8.289 5.552 ( -10.503 0.000 -2.683) 10.840 5.552 ( 10.503 0.000 2.683) 10.840 5.714 ( 1.880 0.000 -1.639) 2.494 5.714 ( -1.880 0.000 1.639) 2.494 6.130 ( 2.908 0.000 -4.522) 5.377 6.130 ( -2.908 0.000 4.522) 5.377 6.234 ( 3.496 0.000 -1.478) 3.795 6.234 ( -3.496 0.000 1.478) 3.795 6.335 ( -2.118 0.000 0.333) 2.144 6.335 ( 2.118 0.000 -0.333) 2.144 6.664 ( 4.441 0.000 -5.735) 7.254 6.664 ( -4.441 0.000 5.735) 7.254 7.454 ( 0.378 0.000 -1.491) 1.538 7.454 ( -0.378 0.000 1.491) 1.538 7.650 ( -1.158 0.000 0.241) 1.183 7.650 ( 1.158 0.000 -0.241) 1.183 7.697 ( 0.761 0.000 -1.632) 1.801 7.697 ( -0.761 0.000 1.632) 1.801 7.899 ( -7.374 0.000 1.499) 7.525 7.899 ( 7.374 0.000 -1.499) 7.525 9.592 ( -1.748 0.000 -2.138) 2.762 9.592 ( 1.748 0.000 2.138) 2.762 9.895 ( -1.334 0.000 -0.870) 1.592 9.895 ( 1.334 0.000 0.870) 1.592 10.037 ( -1.049 0.000 -1.075) 1.502 10.037 ( 1.049 0.000 1.075) 1.502 10.494 ( 2.547 0.000 -3.254) 4.132 10.494 ( -2.547 0.000 3.254) 4.132 11.476 ( 1.014 0.000 -1.346) 1.685 11.476 ( -1.014 0.000 1.346) 1.685 11.517 ( -0.454 0.000 -1.694) 1.754 11.517 ( 0.454 0.000 1.694) 1.754 11.956 ( 0.427 0.000 -1.108) 1.188 11.956 ( -0.427 0.000 1.108) 1.188 12.435 ( -0.399 0.000 -1.051) 1.124 12.435 ( 0.399 0.000 1.051) 1.124 13.075 ( -2.927 0.000 -4.121) 5.055 13.075 ( 2.927 0.000 4.121) 5.055 14.137 ( -2.948 0.000 -3.726) 4.751 14.137 ( 2.948 0.000 3.726) 4.751 14.814 ( -4.847 0.000 -6.603) 8.191 14.814 ( 4.847 0.000 6.603) 8.191 15.238 ( 1.371 0.000 -2.278) 2.659 15.238 ( -1.371 0.000 2.278) 2.659 15.932 ( 0.953 0.000 -3.697) 3.818 15.932 ( -0.953 0.000 3.697) 3.818 16.133 ( 4.815 0.000 -2.627) 5.485 16.133 ( -4.815 0.000 2.627) 5.485 16.534 ( -2.153 0.000 0.207) 2.163 16.534 ( 2.153 0.000 -0.207) 2.163 16.749 ( -3.632 0.000 1.203) 3.826 16.749 ( 3.632 0.000 -1.203) 3.826 19.764 ( -2.418 0.000 0.169) 2.423 19.764 ( 2.418 0.000 -0.169) 2.423 20.658 ( 1.472 0.000 -0.824) 1.687 20.658 ( -1.472 0.000 0.824) 1.687 21.010 ( -4.514 0.000 -0.218) 4.519 21.010 ( 4.514 0.000 0.218) 4.519 22.384 ( -1.918 0.000 -3.938) 4.380 22.384 ( 1.918 0.000 3.938) 4.380 25.406 ( -0.850 0.000 0.011) 0.850 25.406 ( 0.850 0.000 -0.011) 0.850 28.944 ( -9.187 0.000 -4.518) 10.238 28.944 ( 9.187 0.000 4.518) 10.238 30.044 ( -2.997 0.000 0.442) 3.029 30.044 ( 2.997 0.000 -0.442) 3.029 30.269 ( -5.611 0.000 -5.101) 7.583 30.269 ( 5.611 0.000 5.101) 7.583 31.303 ( 1.166 0.000 -4.081) 4.244 31.303 ( -1.166 0.000 4.081) 4.244 32.002 ( 1.292 0.000 -0.908) 1.579 32.002 ( -1.292 0.000 0.908) 1.579 32.377 ( -2.649 0.000 -1.169) 2.895 32.377 ( 2.649 0.000 1.169) 2.895 33.069 ( -1.206 0.000 0.106) 1.210 33.069 ( 1.206 0.000 -0.106) 1.210 36.582 ( 0.379 0.000 -0.839) 0.921 36.582 ( -0.379 0.000 0.839) 0.921 36.827 ( -0.827 0.000 -2.239) 2.387 36.827 ( 0.827 0.000 2.239) 2.387 36.984 ( 3.055 0.000 -1.297) 3.319 36.984 ( -3.055 0.000 1.297) 3.319 37.592 ( -0.786 0.000 -2.316) 2.446 37.592 ( 0.786 0.000 2.316) 2.446 ======================= Grid point 155 (67/90) ======================= q-point: ( 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 7.971 0.000 -13.393) 15.586 1.015 ( 6.491 0.000 -14.666) 16.039 1.482 ( 7.625 0.000 5.144) 9.198 1.745 ( 29.775 0.000 -17.445) 34.509 1.747 ( 9.402 0.000 21.275) 23.260 2.331 ( 15.823 0.000 22.195) 27.258 2.428 ( 1.817 0.000 -13.157) 13.282 2.590 ( -5.520 0.000 15.689) 16.632 2.700 ( -0.336 0.000 3.665) 3.680 2.710 ( -3.550 0.000 -7.022) 7.869 3.034 ( 9.229 0.000 -13.541) 16.387 3.038 ( -3.621 0.000 2.656) 4.491 3.173 ( -8.096 0.000 -7.258) 10.873 3.275 ( -0.164 0.000 1.588) 1.597 3.405 ( -1.512 0.000 0.533) 1.603 3.682 ( -2.139 0.000 1.656) 2.705 3.831 ( 4.729 0.000 -7.676) 9.016 3.891 ( 0.226 0.000 -2.884) 2.892 3.936 ( -0.544 0.000 1.474) 1.571 4.046 ( -0.058 0.000 8.009) 8.009 4.265 ( 2.033 0.000 0.360) 2.064 4.280 ( 0.769 0.000 0.795) 1.106 4.390 ( -8.598 0.000 -2.795) 9.041 4.491 ( -3.835 0.000 1.587) 4.150 4.625 ( 1.588 0.000 -3.407) 3.759 4.678 ( 3.615 0.000 -0.837) 3.710 4.742 ( -1.802 0.000 2.250) 2.883 4.934 ( 8.695 0.000 4.176) 9.646 4.970 ( 0.540 0.000 0.170) 0.566 4.992 ( 5.150 0.000 0.573) 5.181 5.114 ( -3.583 0.000 -2.880) 4.597 5.121 ( 2.270 0.000 2.147) 3.124 5.122 ( 0.821 0.000 0.945) 1.252 5.185 ( -1.576 0.000 2.107) 2.631 5.261 ( 6.568 0.000 0.316) 6.576 5.398 ( 4.077 0.000 2.104) 4.588 5.508 ( 5.116 0.000 0.807) 5.179 5.654 ( 2.762 0.000 -1.163) 2.997 5.732 ( 0.439 0.000 1.520) 1.582 5.945 ( 15.298 0.000 8.446) 17.475 6.042 ( -6.915 0.000 -3.112) 7.583 6.073 ( -2.125 0.000 -6.480) 6.819 6.183 ( -3.862 0.000 0.542) 3.899 6.258 ( 3.378 0.000 -4.749) 5.828 6.321 ( 0.035 0.000 -1.395) 1.395 6.381 ( 3.516 0.000 -0.520) 3.555 6.631 ( -5.877 0.000 8.693) 10.493 6.645 ( 1.248 0.000 -7.167) 7.275 7.438 ( -0.106 0.000 -1.775) 1.778 7.452 ( -0.848 0.000 0.852) 1.202 7.597 ( -4.484 0.000 2.321) 5.048 7.615 ( -4.391 0.000 1.403) 4.609 7.703 ( -0.890 0.000 -0.713) 1.141 7.739 ( 2.188 0.000 2.038) 2.990 7.827 ( -2.253 0.000 2.263) 3.194 7.973 ( 2.894 0.000 -2.373) 3.742 9.524 ( -4.181 0.000 -1.495) 4.441 9.618 ( -1.100 0.000 1.704) 2.028 9.855 ( -2.339 0.000 -0.461) 2.384 9.907 ( -0.971 0.000 0.425) 1.060 9.981 ( -4.179 0.000 0.527) 4.212 10.010 ( -5.533 0.000 0.616) 5.567 10.487 ( -1.491 0.000 2.012) 2.504 10.496 ( 1.792 0.000 -4.483) 4.828 11.468 ( -0.701 0.000 -1.603) 1.750 11.470 ( -1.383 0.000 1.386) 1.958 11.500 ( 1.053 0.000 -1.914) 2.184 11.539 ( 0.558 0.000 1.202) 1.326 11.922 ( -3.150 0.000 -0.916) 3.281 11.928 ( -4.357 0.000 1.397) 4.576 12.410 ( -1.186 0.000 -0.851) 1.460 12.432 ( -1.899 0.000 0.644) 2.005 13.004 ( -1.213 0.000 -3.003) 3.239 13.168 ( 3.280 0.000 3.244) 4.613 14.082 ( -0.622 0.000 -1.992) 2.087 14.264 ( 6.374 0.000 6.365) 9.008 14.609 ( -8.470 0.000 -9.155) 12.472 14.878 ( -2.813 0.000 3.969) 4.865 15.192 ( -6.279 0.000 -0.025) 6.279 15.226 ( 0.428 0.000 -2.416) 2.453 15.959 ( 5.632 0.000 -1.471) 5.821 15.966 ( -0.392 0.000 4.011) 4.030 16.114 ( -1.402 0.000 3.661) 3.921 16.218 ( 6.596 0.000 0.555) 6.620 16.516 ( -0.360 0.000 0.710) 0.796 16.573 ( 2.978 0.000 -0.779) 3.079 16.654 ( -6.832 0.000 -2.504) 7.276 16.759 ( -0.145 0.000 -1.638) 1.644 19.743 ( -0.543 0.000 0.664) 0.858 19.810 ( 3.398 0.000 -0.737) 3.477 20.640 ( -2.048 0.000 1.619) 2.611 20.669 ( 0.402 0.000 -0.065) 0.407 20.910 ( -5.618 0.000 -1.271) 5.760 21.045 ( 0.135 0.000 -0.556) 0.572 22.366 ( 4.661 0.000 -4.415) 6.420 22.472 ( 2.984 0.000 2.535) 3.915 25.386 ( -1.535 0.000 0.166) 1.544 25.411 ( -0.074 0.000 -0.215) 0.227 28.755 ( -5.829 0.000 -6.015) 8.376 29.135 ( 9.348 0.000 4.259) 10.273 29.952 ( -8.316 0.000 -2.120) 8.582 30.077 ( 2.312 0.000 -1.051) 2.539 30.168 ( -0.854 0.000 -2.544) 2.683 30.380 ( 0.206 0.000 4.227) 4.232 31.295 ( 4.689 0.000 -4.355) 6.399 31.305 ( -3.709 0.000 4.741) 6.019 32.010 ( 0.030 0.000 0.205) 0.207 32.053 ( 5.611 0.000 -0.940) 5.689 32.315 ( -3.508 0.000 -1.135) 3.687 32.428 ( 0.766 0.000 3.680) 3.759 33.046 ( -1.636 0.000 0.262) 1.657 33.080 ( 0.468 0.000 -0.437) 0.640 36.596 ( 1.823 0.000 -1.086) 2.122 36.617 ( 2.386 0.000 2.623) 3.546 36.788 ( -0.479 0.000 -2.621) 2.665 36.852 ( 1.388 0.000 -0.318) 1.424 36.975 ( -2.005 0.000 4.827) 5.227 37.038 ( 3.722 0.000 -0.074) 3.723 37.533 ( -3.150 0.000 -2.336) 3.922 37.590 ( -2.987 0.000 0.441) 3.019 ======================= Grid point 156 (68/90) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 15.801 0.000 -8.778) 18.076 1.143 ( 19.311 0.000 -10.475) 21.969 1.693 ( 15.658 0.000 6.190) 16.837 1.987 ( -2.100 0.000 12.835) 13.006 2.233 ( 28.625 0.000 0.951) 28.640 2.334 ( 7.034 0.000 -13.739) 15.434 2.347 ( -17.880 0.000 17.499) 25.018 2.601 ( -4.755 0.000 -0.377) 4.770 2.608 ( 1.520 0.000 -8.679) 8.811 2.810 ( -1.917 0.000 -8.004) 8.231 2.984 ( 2.571 0.000 -9.838) 10.169 3.121 ( 9.175 0.000 4.599) 10.263 3.306 ( 19.789 0.000 14.711) 24.658 3.376 ( -4.769 0.000 5.864) 7.558 3.378 ( 7.856 0.000 -2.666) 8.296 3.508 ( -13.285 0.000 -3.226) 13.671 3.859 ( 6.281 0.000 -7.167) 9.529 3.866 ( 2.355 0.000 -2.292) 3.286 3.938 ( 0.502 0.000 -0.019) 0.503 4.095 ( -1.101 0.000 5.685) 5.790 4.269 ( -1.250 0.000 -4.413) 4.587 4.339 ( -0.143 0.000 3.151) 3.155 4.339 ( 6.611 0.000 -0.224) 6.614 4.471 ( -2.606 0.000 3.135) 4.077 4.647 ( 1.686 0.000 -1.227) 2.085 4.693 ( 0.800 0.000 -1.692) 1.872 4.744 ( 2.128 0.000 3.702) 4.271 4.907 ( -7.750 0.000 -2.290) 8.082 4.964 ( 0.594 0.000 3.042) 3.100 4.999 ( -2.386 0.000 -2.828) 3.700 5.170 ( 2.035 0.000 1.374) 2.455 5.181 ( 7.780 0.000 -0.738) 7.815 5.201 ( 3.120 0.000 4.614) 5.570 5.282 ( 5.154 0.000 -1.715) 5.432 5.368 ( 6.753 0.000 3.649) 7.676 5.454 ( 0.797 0.000 1.493) 1.693 5.599 ( 4.409 0.000 -1.986) 4.835 5.683 ( -1.714 0.000 -3.788) 4.157 5.734 ( -2.254 0.000 0.551) 2.320 5.859 ( -5.269 0.000 -1.136) 5.390 5.989 ( 0.613 0.000 -3.415) 3.469 6.085 ( -0.003 0.000 -2.126) 2.126 6.250 ( 2.733 0.000 2.790) 3.905 6.257 ( 2.886 0.000 -5.526) 6.234 6.307 ( 4.644 0.000 0.272) 4.652 6.436 ( 4.198 0.000 -1.257) 4.382 6.570 ( -0.862 0.000 -8.332) 8.377 6.678 ( -5.441 0.000 13.202) 14.280 7.415 ( -1.449 0.000 -0.551) 1.551 7.460 ( -0.284 0.000 1.848) 1.869 7.552 ( -5.216 0.000 2.038) 5.600 7.588 ( -0.928 0.000 4.630) 4.722 7.648 ( -5.090 0.000 -0.171) 5.093 7.796 ( 2.956 0.000 0.643) 3.026 7.838 ( 0.034 0.000 1.319) 1.319 7.948 ( -1.743 0.000 -3.295) 3.728 9.437 ( -5.014 0.000 -0.210) 5.018 9.586 ( -4.016 0.000 0.298) 4.027 9.828 ( -1.528 0.000 1.528) 2.162 9.861 ( -3.065 0.000 -1.898) 3.605 9.896 ( -7.279 0.000 0.615) 7.305 9.947 ( -2.509 0.000 3.065) 3.961 10.460 ( 0.451 0.000 -5.439) 5.458 10.479 ( -1.698 0.000 1.520) 2.279 11.437 ( -0.494 0.000 -1.737) 1.806 11.456 ( -1.891 0.000 1.318) 2.305 11.508 ( 1.745 0.000 -1.229) 2.134 11.563 ( 1.291 0.000 0.705) 1.471 11.846 ( -4.580 0.000 -1.096) 4.709 11.861 ( -5.132 0.000 1.826) 5.447 12.385 ( -0.817 0.000 -0.741) 1.103 12.401 ( -2.177 0.000 0.774) 2.311 12.981 ( 0.820 0.000 -0.775) 1.128 13.217 ( 0.669 0.000 -0.606) 0.903 14.074 ( 1.236 0.000 -0.637) 1.391 14.328 ( -2.997 0.000 -5.714) 6.452 14.546 ( 5.753 0.000 6.887) 8.973 14.830 ( -6.795 0.000 3.660) 7.717 15.054 ( -7.800 0.000 -1.941) 8.038 15.202 ( -0.074 0.000 -3.386) 3.387 15.990 ( -1.110 0.000 3.695) 3.858 16.042 ( 4.977 0.000 -2.089) 5.397 16.147 ( 0.317 0.000 4.226) 4.238 16.342 ( 4.144 0.000 5.228) 6.671 16.510 ( -3.148 0.000 -6.369) 7.105 16.546 ( 1.272 0.000 2.079) 2.437 16.610 ( 2.912 0.000 -1.755) 3.400 16.727 ( -1.610 0.000 -1.543) 2.230 19.760 ( 1.003 0.000 1.786) 2.048 19.851 ( 3.029 0.000 -2.008) 3.634 20.629 ( -1.729 0.000 2.575) 3.102 20.672 ( -0.186 0.000 0.297) 0.351 20.838 ( -2.337 0.000 0.662) 2.429 21.015 ( -2.134 0.000 -1.752) 2.761 22.427 ( 7.426 0.000 -4.890) 8.892 22.501 ( 0.193 0.000 -0.615) 0.644 25.363 ( -1.567 0.000 0.586) 1.673 25.399 ( -0.785 0.000 -0.734) 1.074 28.706 ( 3.768 0.000 1.049) 3.911 29.344 ( 9.775 0.000 6.558) 11.771 29.742 ( -11.432 0.000 -6.619) 13.210 30.090 ( 0.968 0.000 -3.097) 3.245 30.171 ( 2.229 0.000 -0.720) 2.342 30.344 ( -4.220 0.000 -2.043) 4.688 31.294 ( -4.129 0.000 6.924) 8.062 31.373 ( 7.871 0.000 -3.914) 8.790 31.982 ( -1.970 0.000 -1.390) 2.411 32.137 ( 2.798 0.000 1.206) 3.047 32.252 ( 0.135 0.000 -3.948) 3.950 32.464 ( -2.438 0.000 5.377) 5.904 33.027 ( -1.398 0.000 1.015) 1.728 33.076 ( -0.133 0.000 -1.011) 1.020 36.609 ( 1.401 0.000 -1.700) 2.203 36.664 ( -0.175 0.000 0.690) 0.712 36.795 ( 1.789 0.000 3.044) 3.531 36.881 ( 2.828 0.000 -0.774) 2.932 37.001 ( -1.731 0.000 6.346) 6.577 37.088 ( 2.904 0.000 -1.238) 3.157 37.453 ( -3.873 0.000 -1.869) 4.301 37.510 ( -4.141 0.000 -3.627) 5.505 ======================= Grid point 157 (69/90) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 14.920 0.000 -4.285) 15.523 1.319 ( 12.479 0.000 -4.820) 13.377 1.957 ( 9.195 0.000 -6.034) 10.998 1.992 ( -5.366 0.000 7.439) 9.172 2.221 ( -12.468 0.000 7.368) 14.482 2.275 ( -0.049 0.000 4.256) 4.257 2.532 ( 0.046 0.000 -2.927) 2.928 2.548 ( -5.450 0.000 7.815) 9.528 2.684 ( 17.568 0.000 -15.195) 23.228 2.771 ( 0.300 0.000 1.223) 1.259 3.087 ( 18.255 0.000 2.210) 18.389 3.163 ( -3.173 0.000 -0.327) 3.189 3.207 ( -8.994 0.000 -5.412) 10.496 3.381 ( -3.915 0.000 9.336) 10.123 3.529 ( 8.619 0.000 -4.401) 9.678 3.685 ( 5.727 0.000 4.146) 7.070 3.910 ( 9.456 0.000 -5.572) 10.975 3.934 ( 6.093 0.000 0.760) 6.140 3.965 ( 3.859 0.000 -0.911) 3.965 4.104 ( -4.871 0.000 4.699) 6.768 4.236 ( 3.747 0.000 -4.373) 5.759 4.337 ( -2.080 0.000 3.357) 3.950 4.409 ( -6.875 0.000 1.238) 6.986 4.487 ( 10.038 0.000 -0.682) 10.061 4.672 ( -0.807 0.000 2.878) 2.989 4.694 ( -0.258 0.000 -0.094) 0.275 4.705 ( -7.589 0.000 -3.835) 8.503 4.877 ( -5.436 0.000 -4.181) 6.858 4.945 ( 7.989 0.000 6.157) 10.087 5.052 ( 3.460 0.000 2.594) 4.325 5.210 ( 1.599 0.000 0.411) 1.651 5.235 ( -1.692 0.000 -4.289) 4.611 5.282 ( 8.758 0.000 -2.963) 9.246 5.303 ( 1.835 0.000 4.383) 4.752 5.451 ( -1.747 0.000 -0.132) 1.752 5.508 ( 5.602 0.000 -4.035) 6.903 5.558 ( -4.162 0.000 -0.745) 4.229 5.591 ( -3.178 0.000 -0.610) 3.236 5.702 ( -0.613 0.000 2.008) 2.099 5.820 ( -2.911 0.000 1.243) 3.166 6.058 ( 7.068 0.000 0.950) 7.132 6.140 ( 5.300 0.000 2.406) 5.820 6.217 ( -3.478 0.000 0.140) 3.480 6.254 ( 3.044 0.000 -4.001) 5.028 6.448 ( 4.914 0.000 2.648) 5.582 6.453 ( -1.628 0.000 -6.982) 7.169 6.499 ( 4.040 0.000 -3.350) 5.248 6.625 ( -11.375 0.000 5.021) 12.434 7.382 ( -2.122 0.000 0.606) 2.207 7.439 ( -3.315 0.000 -0.840) 3.419 7.494 ( -4.055 0.000 2.240) 4.633 7.542 ( -5.241 0.000 -1.778) 5.534 7.648 ( 1.932 0.000 5.784) 6.098 7.831 ( 1.600 0.000 -3.691) 4.023 7.852 ( 0.689 0.000 0.893) 1.128 7.881 ( -1.763 0.000 -1.924) 2.609 9.378 ( -2.200 0.000 1.415) 2.616 9.500 ( -5.360 0.000 -1.570) 5.585 9.781 ( -4.895 0.000 2.372) 5.439 9.796 ( -1.968 0.000 -2.276) 3.009 9.872 ( 0.295 0.000 3.263) 3.276 9.936 ( -1.769 0.000 1.308) 2.200 10.427 ( 1.735 0.000 -4.217) 4.560 10.459 ( -2.679 0.000 1.803) 3.229 11.422 ( 0.591 0.000 -1.529) 1.639 11.438 ( -1.850 0.000 1.332) 2.280 11.534 ( 2.418 0.000 -0.312) 2.438 11.588 ( 0.686 0.000 0.361) 0.775 11.768 ( -2.585 0.000 -1.477) 2.977 11.801 ( -4.569 0.000 1.949) 4.967 12.371 ( 0.118 0.000 -0.891) 0.899 12.381 ( -1.741 0.000 1.496) 2.295 13.016 ( 2.649 0.000 1.844) 3.227 13.181 ( -2.048 0.000 -3.695) 4.224 14.108 ( 3.008 0.000 0.133) 3.011 14.231 ( -3.039 0.000 -2.480) 3.923 14.688 ( 6.033 0.000 -3.284) 6.869 14.752 ( -7.581 0.000 5.527) 9.382 14.968 ( -3.675 0.000 7.181) 8.066 15.148 ( -0.915 0.000 -6.325) 6.390 16.010 ( -0.749 0.000 3.769) 3.842 16.065 ( 1.932 0.000 -4.087) 4.520 16.204 ( 1.102 0.000 4.999) 5.119 16.365 ( -3.069 0.000 -2.985) 4.281 16.496 ( 4.936 0.000 1.393) 5.129 16.598 ( 0.968 0.000 3.136) 3.282 16.629 ( 1.788 0.000 -2.450) 3.033 16.676 ( -2.343 0.000 -2.178) 3.199 19.803 ( 1.201 0.000 2.850) 3.093 19.865 ( 1.673 0.000 -3.081) 3.506 20.635 ( -1.094 0.000 3.126) 3.312 20.666 ( 0.152 0.000 -1.452) 1.460 20.841 ( -0.659 0.000 4.160) 4.212 20.952 ( -2.101 0.000 -3.405) 4.001 22.489 ( 5.634 0.000 -4.896) 7.465 22.500 ( -0.124 0.000 1.018) 1.025 25.351 ( -0.911 0.000 1.046) 1.387 25.376 ( -0.778 0.000 -1.202) 1.432 28.875 ( 9.337 0.000 9.228) 13.128 29.461 ( -14.092 0.000 -6.656) 15.585 29.582 ( 11.412 0.000 5.361) 12.608 30.013 ( -4.140 0.000 -8.030) 9.034 30.208 ( 2.268 0.000 0.048) 2.268 30.270 ( -1.673 0.000 -1.714) 2.395 31.316 ( -2.801 0.000 9.121) 9.541 31.419 ( 4.536 0.000 -8.241) 9.407 31.962 ( 0.828 0.000 0.645) 1.049 32.108 ( -5.557 0.000 0.682) 5.599 32.294 ( 7.988 0.000 -4.230) 9.038 32.447 ( -5.142 0.000 4.004) 6.517 33.024 ( -0.701 0.000 1.854) 1.982 33.059 ( -0.293 0.000 -1.621) 1.647 36.613 ( 1.174 0.000 -1.440) 1.858 36.645 ( -1.324 0.000 -0.465) 1.403 36.864 ( 1.164 0.000 4.312) 4.466 36.914 ( 1.665 0.000 -1.066) 1.977 37.046 ( -0.102 0.000 6.053) 6.054 37.111 ( 1.942 0.000 -2.078) 2.844 37.380 ( -3.313 0.000 -0.479) 3.347 37.408 ( -2.418 0.000 -5.078) 5.624 ======================= Grid point 158 (70/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.318 0.000 -3.616) 4.295 1.420 ( -2.318 0.000 3.616) 4.295 1.963 ( 12.061 0.000 -17.828) 21.525 1.963 ( -12.061 0.000 17.828) 21.525 2.219 ( 9.864 0.000 -3.605) 10.503 2.219 ( -9.864 0.000 3.605) 10.503 2.550 ( 5.284 0.000 -7.366) 9.066 2.550 ( -5.284 0.000 7.366) 9.066 2.752 ( 6.845 0.000 -4.863) 8.396 2.752 ( -6.845 0.000 4.863) 8.396 3.108 ( 2.521 0.000 -3.685) 4.464 3.108 ( -2.521 0.000 3.685) 4.464 3.366 ( -8.596 0.000 2.318) 8.903 3.366 ( 8.596 0.000 -2.318) 8.903 3.636 ( -8.691 0.000 1.166) 8.769 3.636 ( 8.691 0.000 -1.166) 8.769 4.009 ( 0.595 0.000 -0.593) 0.840 4.009 ( -0.595 0.000 0.593) 0.840 4.030 ( 8.316 0.000 -3.852) 9.165 4.030 ( -8.316 0.000 3.852) 9.165 4.297 ( -6.734 0.000 1.714) 6.949 4.297 ( 6.734 0.000 -1.714) 6.949 4.446 ( -10.464 0.000 -6.434) 12.284 4.446 ( 10.465 0.000 6.434) 12.284 4.641 ( -8.070 0.000 1.567) 8.221 4.641 ( 8.070 0.000 -1.567) 8.221 4.760 ( -2.081 0.000 -6.010) 6.360 4.760 ( 2.081 0.000 6.010) 6.360 5.066 ( -1.107 0.000 -4.734) 4.861 5.066 ( 1.107 0.000 4.734) 4.861 5.203 ( -0.828 0.000 -1.220) 1.475 5.203 ( 0.828 0.000 1.220) 1.475 5.370 ( 0.493 0.000 -4.775) 4.800 5.370 ( -0.493 0.000 4.775) 4.800 5.473 ( -5.928 0.000 0.150) 5.930 5.473 ( 5.928 0.000 -0.150) 5.930 5.541 ( 2.919 0.000 -3.281) 4.391 5.541 ( -2.919 0.000 3.281) 4.391 5.759 ( -3.964 0.000 -2.012) 4.445 5.759 ( 3.964 0.000 2.012) 4.445 6.157 ( -3.856 0.000 -0.041) 3.856 6.157 ( 3.856 0.000 0.041) 3.856 6.254 ( -2.988 0.000 -2.863) 4.138 6.254 ( 2.988 0.000 2.863) 4.138 6.423 ( -7.697 0.000 1.670) 7.877 6.423 ( 7.697 0.000 -1.670) 7.877 6.531 ( 3.658 0.000 -3.930) 5.369 6.531 ( -3.658 0.000 3.930) 5.369 7.379 ( -0.979 0.000 -1.561) 1.842 7.379 ( 0.979 0.000 1.561) 1.842 7.479 ( 0.007 0.000 -2.174) 2.174 7.479 ( -0.007 0.000 2.174) 2.174 7.753 ( -2.776 0.000 -6.464) 7.035 7.753 ( 2.776 0.000 6.464) 7.035 7.870 ( 0.045 0.000 -0.960) 0.961 7.870 ( -0.045 0.000 0.960) 0.961 9.404 ( -2.938 0.000 -2.415) 3.803 9.404 ( 2.938 0.000 2.415) 3.803 9.760 ( 0.847 0.000 -2.721) 2.850 9.760 ( -0.847 0.000 2.721) 2.850 9.911 ( -1.114 0.000 -1.646) 1.987 9.911 ( 1.114 0.000 1.646) 1.987 10.433 ( 2.885 0.000 -2.635) 3.907 10.433 ( -2.885 0.000 2.635) 3.907 11.425 ( 1.425 0.000 -1.453) 2.035 11.425 ( -1.425 0.000 1.453) 2.035 11.575 ( -2.372 0.000 0.079) 2.374 11.575 ( 2.372 0.000 -0.079) 2.374 11.755 ( 2.722 0.000 -1.688) 3.203 11.755 ( -2.722 0.000 1.688) 3.203 12.371 ( 1.147 0.000 -1.321) 1.749 12.371 ( -1.147 0.000 1.321) 1.749 13.096 ( -3.286 0.000 -3.811) 5.032 13.096 ( 3.286 0.000 3.811) 5.032 14.166 ( -3.560 0.000 -0.381) 3.580 14.166 ( 3.560 0.000 0.381) 3.580 14.708 ( 6.196 0.000 -8.597) 10.597 14.708 ( -6.196 0.000 8.597) 10.597 15.050 ( -0.529 0.000 -10.392) 10.406 15.050 ( 0.529 0.000 10.392) 10.406 16.041 ( 0.605 0.000 -4.318) 4.360 16.041 ( -0.605 0.000 4.318) 4.360 16.280 ( -1.971 0.000 -5.123) 5.489 16.280 ( 1.971 0.000 5.123) 5.489 16.593 ( -3.576 0.000 -2.658) 4.456 16.593 ( 3.576 0.000 2.658) 4.456 16.632 ( 0.349 0.000 -2.995) 3.015 16.632 ( -0.349 0.000 2.995) 3.015 19.846 ( -0.025 0.000 -3.367) 3.367 19.846 ( 0.025 0.000 3.367) 3.367 20.651 ( 0.632 0.000 -2.826) 2.896 20.651 ( -0.632 0.000 2.826) 2.896 20.887 ( -0.758 0.000 -4.679) 4.740 20.887 ( 0.758 0.000 4.679) 4.740 22.509 ( 2.227 0.000 -3.796) 4.401 22.509 ( -2.227 0.000 3.796) 4.401 25.355 ( -0.058 0.000 -1.304) 1.306 25.355 ( 0.058 0.000 1.304) 1.306 29.156 ( -11.931 0.000 -11.004) 16.231 29.156 ( 11.931 0.000 11.004) 16.231 29.819 ( -8.225 0.000 -9.288) 12.406 29.819 ( 8.225 0.000 9.288) 12.406 30.240 ( -1.287 0.000 -0.548) 1.399 30.240 ( 1.287 0.000 0.548) 1.399 31.375 ( 2.197 0.000 -10.263) 10.496 31.375 ( -2.197 0.000 10.263) 10.496 32.019 ( -4.393 0.000 -1.230) 4.562 32.019 ( 4.393 0.000 1.230) 4.562 32.383 ( 6.931 0.000 -3.332) 7.691 32.383 ( -6.931 0.000 3.332) 7.691 33.038 ( 0.037 0.000 -2.028) 2.029 33.038 ( -0.037 0.000 2.028) 2.029 36.623 ( 1.301 0.000 -0.476) 1.386 36.623 ( -1.301 0.000 0.476) 1.386 36.908 ( -0.229 0.000 -2.230) 2.241 36.908 ( 0.229 0.000 2.230) 2.241 37.101 ( -0.027 0.000 -3.725) 3.725 37.101 ( 0.027 0.000 3.725) 3.725 37.352 ( 0.838 0.000 -2.734) 2.860 37.352 ( -0.838 0.000 2.734) 2.860 ======================= Grid point 163 (71/90) ======================= q-point: ( 0.00 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -3.506 7.332 -21.727) 23.198 1.246 ( 3.506 7.332 21.727) 23.198 1.437 ( -6.300 12.054 -22.517) 26.306 1.437 ( 6.300 12.054 22.517) 26.306 1.994 ( -0.706 15.714 -22.743) 27.653 1.994 ( 0.706 15.714 22.743) 27.653 2.545 ( 1.986 1.645 -8.307) 8.698 2.545 ( -1.986 1.645 8.307) 8.698 2.802 ( -2.437 2.795 -0.710) 3.775 2.802 ( 2.437 2.795 0.710) 3.775 2.983 ( 0.111 -0.311 -7.213) 7.221 2.983 ( -0.111 -0.311 7.213) 7.221 3.309 ( -7.252 -3.903 -1.739) 8.417 3.309 ( 7.252 -3.903 1.739) 8.417 3.489 ( -10.581 -2.830 -8.614) 13.934 3.489 ( 10.581 -2.830 8.614) 13.934 3.859 ( 0.703 -3.325 -9.230) 9.836 3.859 ( -0.703 -3.325 9.230) 9.836 3.934 ( 1.561 1.076 -2.873) 3.442 3.934 ( -1.561 1.076 2.873) 3.442 4.283 ( 0.207 0.558 -4.147) 4.190 4.283 ( -0.207 0.558 4.147) 4.190 4.461 ( -6.684 -6.163 -2.566) 9.447 4.461 ( 6.684 -6.163 2.566) 9.447 4.618 ( -4.992 -1.881 -0.685) 5.379 4.618 ( 4.992 -1.881 0.685) 5.379 4.749 ( -5.177 2.473 -3.034) 6.490 4.749 ( 5.177 2.473 3.034) 6.490 4.890 ( -3.185 -6.560 -3.163) 7.948 4.890 ( 3.185 -6.560 3.163) 7.948 5.112 ( 0.640 4.944 -3.054) 5.846 5.112 ( -0.640 4.944 3.054) 5.846 5.269 ( -4.292 0.676 -0.093) 4.346 5.269 ( 4.292 0.676 0.093) 4.346 5.349 ( 0.462 6.752 -1.008) 6.842 5.349 ( -0.462 6.752 1.008) 6.842 5.562 ( -7.894 0.792 -1.235) 8.029 5.562 ( 7.894 0.792 1.235) 8.029 5.737 ( -0.197 1.445 -3.584) 3.869 5.737 ( 0.197 1.445 3.584) 3.869 6.054 ( 1.946 -4.723 -4.567) 6.852 6.054 ( -1.946 -4.723 4.567) 6.852 6.199 ( -3.166 -2.123 -3.141) 4.939 6.199 ( 3.166 -2.123 3.141) 4.939 6.352 ( -1.640 2.142 -0.887) 2.839 6.352 ( 1.640 2.142 0.887) 2.839 6.731 ( -2.620 2.942 -5.170) 6.500 6.731 ( 2.620 2.942 5.170) 6.500 7.477 ( 0.623 1.968 -2.127) 2.963 7.477 ( -0.623 1.968 2.127) 2.963 7.602 ( 1.698 -1.067 -2.509) 3.212 7.602 ( -1.698 -1.067 2.509) 3.212 7.745 ( -1.383 2.107 0.331) 2.542 7.745 ( 1.383 2.107 -0.331) 2.542 7.905 ( -2.854 -0.318 -0.669) 2.948 7.905 ( 2.854 -0.318 0.669) 2.948 9.600 ( -1.169 0.780 -2.234) 2.639 9.600 ( 1.169 0.780 2.234) 2.639 9.890 ( -0.437 -0.006 -1.276) 1.349 9.890 ( 0.437 -0.006 1.276) 1.349 10.034 ( -1.089 -0.192 -1.030) 1.511 10.034 ( 1.089 -0.192 1.030) 1.511 10.451 ( 1.460 -3.580 -2.782) 4.763 10.451 ( -1.460 -3.580 2.782) 4.763 11.471 ( 0.325 -0.743 -1.351) 1.576 11.471 ( -0.325 -0.743 1.351) 1.576 11.514 ( -0.344 -0.180 -1.721) 1.764 11.514 ( 0.344 -0.180 1.721) 1.764 11.977 ( -0.098 2.052 -1.076) 2.319 11.977 ( 0.098 2.052 1.076) 2.319 12.417 ( -0.701 -1.760 -0.839) 2.072 12.417 ( 0.701 -1.760 0.839) 2.072 13.223 ( -3.386 12.900 0.318) 13.341 13.223 ( 3.386 12.900 -0.318) 13.341 14.130 ( -2.978 -0.565 -3.372) 4.535 14.130 ( 2.978 -0.565 3.372) 4.535 14.727 ( -6.361 -7.543 -5.511) 11.302 14.727 ( 6.361 -7.543 5.511) 11.302 15.195 ( -7.579 -4.025 -2.240) 8.869 15.195 ( 7.579 -4.025 2.240) 8.869 15.957 ( 0.105 2.070 -3.299) 3.896 15.957 ( -0.105 2.070 3.299) 3.896 16.091 ( 0.927 -3.037 -2.174) 3.848 16.091 ( -0.927 -3.037 2.174) 3.848 16.488 ( 0.506 -4.184 -1.687) 4.539 16.488 ( -0.506 -4.184 1.687) 4.539 16.683 ( -4.130 -5.097 0.522) 6.581 16.683 ( 4.130 -5.097 -0.522) 6.581 19.857 ( -1.882 7.330 -2.227) 7.889 19.857 ( 1.882 7.330 2.227) 7.889 20.568 ( -1.507 -5.894 -1.112) 6.184 20.568 ( 1.507 -5.894 1.112) 6.184 21.168 ( -3.723 11.679 -1.538) 12.354 21.168 ( 3.723 11.679 1.538) 12.354 22.339 ( -1.827 -4.165 -3.916) 6.002 22.339 ( 1.827 -4.165 3.916) 6.002 25.624 ( 0.985 18.678 -6.301) 19.737 25.624 ( -0.985 18.678 6.301) 19.737 28.684 ( -13.034 -22.932 -2.902) 26.537 28.684 ( 13.034 -22.932 2.902) 26.537 30.056 ( 0.172 1.165 -1.180) 1.667 30.056 ( -0.172 1.165 1.180) 1.667 30.230 ( -21.391 -2.440 0.925) 21.549 30.230 ( 21.391 -2.440 -0.925) 21.549 31.283 ( 0.960 -1.476 -4.508) 4.840 31.283 ( -0.960 -1.476 4.508) 4.840 31.836 ( -6.619 -12.677 1.117) 14.344 31.836 ( 6.619 -12.677 -1.117) 14.344 32.446 ( 1.855 6.702 -3.450) 7.763 32.446 ( -1.855 6.702 3.450) 7.763 33.151 ( -1.132 4.703 -3.957) 6.250 33.151 ( 1.132 4.703 3.957) 6.250 36.563 ( 0.765 -1.755 -1.516) 2.442 36.563 ( -0.765 -1.755 1.516) 2.442 36.819 ( -0.445 -0.674 -2.547) 2.672 36.819 ( 0.445 -0.674 2.547) 2.672 37.049 ( -0.600 5.453 -2.673) 6.103 37.049 ( 0.600 5.453 2.673) 6.103 37.606 ( 1.245 0.961 -5.783) 5.993 37.606 ( -1.245 0.961 5.783) 5.993 ======================= Grid point 165 (72/90) ======================= q-point: ( 0.12 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 8.293 8.998 -12.346) 17.383 1.239 ( 6.665 16.036 -16.112) 23.689 1.549 ( 6.838 7.175 14.518) 17.578 1.777 ( 10.298 6.133 7.926) 14.369 2.016 ( 23.400 19.212 -9.993) 31.883 2.362 ( 14.800 2.554 5.120) 15.867 2.489 ( -7.253 5.190 8.198) 12.114 2.642 ( 5.816 4.238 9.635) 12.026 2.667 ( -3.655 -0.987 -2.368) 4.466 2.755 ( -6.494 3.003 -3.901) 8.149 2.954 ( 0.676 -3.210 -4.207) 5.334 3.062 ( -1.360 -2.223 -7.647) 8.079 3.165 ( -1.905 0.311 0.837) 2.104 3.266 ( -2.070 -1.347 -1.948) 3.146 3.399 ( 1.940 0.259 1.775) 2.642 3.619 ( -0.119 -4.534 0.140) 4.538 3.819 ( 3.444 -2.043 -6.987) 8.054 3.908 ( 0.122 2.070 -2.691) 3.397 3.945 ( 2.155 -2.101 5.263) 6.062 4.020 ( 4.576 0.688 2.458) 5.240 4.260 ( 1.904 -0.143 -0.470) 1.966 4.274 ( -5.320 -3.708 1.467) 6.649 4.359 ( -2.351 0.501 0.113) 2.407 4.497 ( -2.386 -0.360 0.376) 2.442 4.624 ( 2.828 -1.561 2.076) 3.840 4.697 ( 1.144 1.344 -2.747) 3.265 4.733 ( 3.193 -1.167 1.913) 3.901 4.796 ( -2.322 -7.184 0.817) 7.594 4.903 ( 4.792 -2.569 1.733) 5.707 4.959 ( 2.200 -7.548 0.989) 7.924 5.076 ( 0.999 1.178 0.738) 1.712 5.133 ( -0.362 1.642 0.307) 1.710 5.215 ( -5.488 4.541 -0.880) 7.177 5.234 ( 2.776 2.187 2.048) 4.084 5.359 ( 1.881 6.827 0.057) 7.082 5.441 ( 6.157 2.111 -0.672) 6.544 5.519 ( -0.494 1.758 1.548) 2.394 5.666 ( 3.929 0.447 -0.116) 3.956 5.760 ( 2.108 1.652 1.504) 3.071 5.917 ( 9.130 -2.440 1.697) 9.601 5.990 ( -0.498 -4.584 -0.357) 4.625 6.021 ( -2.837 -1.662 0.339) 3.305 6.118 ( -0.733 -1.708 -3.039) 3.563 6.258 ( 1.930 -1.789 -1.849) 3.216 6.338 ( 1.889 1.869 -2.526) 3.667 6.410 ( 3.558 2.551 0.477) 4.404 6.605 ( -5.018 1.569 -2.337) 5.754 6.793 ( -0.241 4.797 0.374) 4.818 7.454 ( -1.007 1.446 -1.406) 2.254 7.477 ( -1.083 2.504 0.496) 2.773 7.598 ( -1.738 1.612 3.665) 4.365 7.638 ( 2.115 -2.563 1.513) 3.651 7.684 ( -5.935 1.550 0.539) 6.158 7.746 ( -0.833 1.855 0.710) 2.154 7.852 ( -1.370 0.616 0.054) 1.503 7.956 ( 1.590 -1.772 -1.548) 2.839 9.530 ( -4.720 0.705 -1.310) 4.949 9.618 ( -1.712 0.017 1.417) 2.223 9.861 ( -1.934 0.723 0.189) 2.073 9.899 ( -1.293 -0.661 0.668) 1.598 9.979 ( -3.960 0.129 0.579) 4.004 10.012 ( -4.668 0.375 0.213) 4.688 10.444 ( 1.040 -3.590 -2.640) 4.576 10.459 ( -0.186 -3.187 0.533) 3.236 11.446 ( -1.367 -0.670 0.071) 1.524 11.476 ( -0.858 -1.146 -0.514) 1.522 11.510 ( 1.743 1.057 -1.037) 2.287 11.537 ( 0.652 -0.300 1.107) 1.319 11.933 ( -3.659 1.537 -0.597) 4.013 11.957 ( -3.622 2.511 0.743) 4.470 12.382 ( -2.523 -2.322 0.098) 3.430 12.419 ( -1.321 -1.670 -0.020) 2.130 13.177 ( -4.253 13.815 3.010) 14.765 13.287 ( 2.764 11.219 1.196) 11.616 14.077 ( -0.657 -0.199 -1.501) 1.651 14.247 ( 5.767 -1.664 5.382) 8.062 14.537 ( -7.492 -5.817 -8.129) 12.492 14.848 ( 2.735 -6.190 4.413) 8.079 15.018 ( -9.744 -5.446 -2.231) 11.383 15.300 ( 3.113 -1.501 -1.450) 3.748 15.957 ( 2.785 0.554 -0.326) 2.858 16.005 ( 1.681 2.517 2.661) 4.030 16.060 ( -1.479 -4.007 1.115) 4.414 16.142 ( 3.251 -5.146 -0.302) 6.095 16.467 ( -0.018 -4.374 -1.918) 4.776 16.488 ( -0.294 -5.252 -1.955) 5.612 16.624 ( -2.414 -3.104 1.013) 4.061 16.726 ( 1.341 -3.719 -0.785) 4.030 19.820 ( -0.645 6.567 -0.610) 6.627 19.913 ( 1.633 7.620 2.475) 8.176 20.523 ( -2.740 -6.074 0.075) 6.663 20.605 ( 1.002 -5.660 0.933) 5.823 21.076 ( -4.144 12.124 -1.066) 12.857 21.215 ( 0.740 12.761 -0.614) 12.798 22.314 ( 3.537 -4.709 -3.843) 7.032 22.424 ( 3.689 -4.274 2.076) 6.016 25.577 ( -0.979 14.917 -2.748) 15.199 25.658 ( -4.511 22.117 7.869) 23.904 28.465 ( -7.523 -22.262 -3.201) 23.716 28.971 ( 18.093 -24.230 -0.538) 30.245 29.838 ( -21.901 -2.652 -0.211) 22.062 30.051 ( 0.750 -0.932 -0.214) 1.216 30.097 ( 2.153 1.451 -0.368) 2.622 30.485 ( 10.933 1.876 -4.188) 11.857 31.250 ( -0.186 -2.356 -0.620) 2.444 31.318 ( 1.159 -0.194 1.594) 1.980 31.783 ( -0.683 -12.522 0.560) 12.553 31.989 ( 12.184 -12.580 -2.787) 17.733 32.399 ( -4.029 7.863 -0.235) 8.838 32.467 ( 1.204 6.713 -0.215) 6.823 33.087 ( -2.559 2.678 -2.215) 4.315 33.189 ( -1.797 5.457 4.046) 7.027 36.565 ( 0.927 -2.513 -0.681) 2.764 36.582 ( 1.205 -2.471 1.302) 3.042 36.779 ( -0.712 -0.675 -3.170) 3.318 36.835 ( -0.040 -1.208 -0.021) 1.209 37.011 ( -2.174 3.494 3.082) 5.141 37.125 ( 3.797 6.891 0.827) 7.912 37.482 ( -8.490 -2.135 2.339) 9.062 37.690 ( 2.650 4.876 -0.869) 5.617 ======================= Grid point 166 (73/90) ======================= q-point: ( 0.25 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 17.414 9.501 -5.175) 20.501 1.303 ( 16.561 13.146 -11.294) 23.971 1.813 ( 10.087 10.412 12.746) 19.303 1.976 ( 6.318 1.474 3.687) 7.462 2.297 ( -3.674 2.795 5.977) 7.552 2.355 ( 0.029 4.372 -4.758) 6.461 2.508 ( 14.665 11.114 0.341) 18.404 2.560 ( -3.288 0.268 -7.346) 8.053 2.607 ( -6.614 -0.319 -0.175) 6.624 2.877 ( -1.825 -2.131 -13.246) 13.540 2.921 ( 0.895 2.740 0.823) 2.998 3.074 ( 14.839 -3.212 7.166) 16.789 3.217 ( -0.184 -6.301 7.515) 9.809 3.380 ( 10.839 0.993 -2.268) 11.118 3.455 ( 6.016 6.384 5.471) 10.339 3.551 ( -4.007 0.366 -2.929) 4.977 3.821 ( 5.173 -2.253 -5.697) 8.018 3.896 ( 2.134 2.622 -2.670) 4.308 4.022 ( 1.806 5.129 0.792) 5.495 4.070 ( -1.534 -1.695 5.727) 6.167 4.197 ( -2.819 -5.881 -0.784) 6.569 4.338 ( 3.377 1.117 1.335) 3.799 4.362 ( 3.357 0.541 -1.288) 3.636 4.473 ( -2.436 -0.112 0.431) 2.476 4.663 ( -0.212 -2.797 -1.712) 3.286 4.700 ( 1.602 3.728 0.382) 4.075 4.713 ( 0.117 -2.652 2.257) 3.484 4.803 ( -1.233 -5.719 2.034) 6.194 4.925 ( 0.071 -3.529 1.211) 3.731 5.035 ( -0.406 -0.724 -1.727) 1.916 5.091 ( 2.273 -3.780 -0.658) 4.459 5.120 ( -0.919 -4.675 0.474) 4.787 5.221 ( 4.944 0.926 2.925) 5.819 5.373 ( 6.785 1.343 0.750) 6.957 5.391 ( 1.349 7.739 0.514) 7.873 5.485 ( 2.177 1.124 1.415) 2.829 5.526 ( 0.533 -2.375 -0.383) 2.464 5.717 ( -1.351 -0.796 -0.011) 1.568 5.784 ( -1.937 2.392 -1.988) 3.664 5.827 ( -0.427 0.318 -3.725) 3.763 5.953 ( -1.369 -1.722 2.320) 3.197 6.099 ( 3.573 1.861 -3.096) 5.081 6.247 ( 4.180 0.482 -1.331) 4.413 6.253 ( 5.184 -3.325 0.760) 6.205 6.345 ( 3.340 2.824 -2.072) 4.840 6.443 ( 1.281 1.557 -0.373) 2.051 6.555 ( -0.292 1.147 -2.520) 2.784 6.761 ( -3.462 3.615 2.134) 5.441 7.421 ( -1.802 0.728 -0.664) 2.054 7.455 ( -2.084 1.994 0.364) 2.907 7.590 ( -5.500 0.750 2.750) 6.195 7.620 ( -1.376 2.624 3.796) 4.815 7.662 ( -2.944 -0.102 0.487) 2.986 7.761 ( 2.230 -1.011 1.771) 3.022 7.843 ( 0.156 0.254 -0.425) 0.519 7.931 ( -1.881 -1.571 -1.863) 3.079 9.435 ( -5.413 -0.010 -0.128) 5.415 9.569 ( -4.902 -1.255 0.021) 5.060 9.833 ( -3.663 -0.415 1.594) 4.016 9.841 ( -4.754 -2.135 -0.992) 5.304 9.916 ( -4.522 2.710 -0.159) 5.274 9.953 ( -1.863 0.986 2.609) 3.354 10.425 ( 0.913 -2.912 -4.318) 5.288 10.454 ( -1.282 -2.442 1.038) 2.947 11.428 ( -0.640 -0.242 -0.389) 0.787 11.454 ( -1.305 -0.666 0.170) 1.475 11.529 ( 1.594 1.481 -0.900) 2.355 11.558 ( 1.193 -0.542 0.253) 1.335 11.866 ( -4.022 1.926 0.128) 4.461 11.887 ( -5.334 2.341 0.923) 5.898 12.347 ( -2.229 -3.014 1.060) 3.895 12.385 ( -1.867 -1.920 -0.669) 2.761 13.141 ( -3.468 13.168 3.020) 13.948 13.309 ( 0.011 8.880 -1.871) 9.075 14.076 ( 1.235 0.348 0.085) 1.286 14.308 ( -2.446 -1.765 -5.474) 6.250 14.463 ( 4.402 -6.515 4.778) 9.200 14.847 ( -8.068 -5.551 -2.550) 10.120 14.915 ( -0.656 -2.295 6.511) 6.935 15.270 ( -1.481 0.587 -5.596) 5.818 16.008 ( 0.068 1.472 2.736) 3.108 16.059 ( 3.594 0.230 -0.196) 3.606 16.076 ( 1.045 -4.963 2.490) 5.650 16.191 ( 2.412 -9.840 1.234) 10.206 16.436 ( 1.208 -3.651 -4.181) 5.681 16.492 ( 1.708 -4.035 0.756) 4.446 16.618 ( 0.101 -2.682 -0.087) 2.686 16.714 ( -1.502 -2.167 -0.936) 2.798 19.825 ( 0.787 5.727 1.054) 5.877 19.945 ( 0.511 7.093 0.143) 7.113 20.491 ( -1.695 -6.403 1.444) 6.779 20.612 ( -0.626 -5.448 -0.236) 5.489 21.039 ( -1.164 13.528 2.155) 13.748 21.191 ( -1.335 13.737 -2.352) 14.001 22.363 ( 5.749 -5.255 -2.741) 8.258 22.475 ( 2.154 -3.057 -1.239) 3.939 25.539 ( -1.066 12.985 -1.493) 13.114 25.620 ( -7.053 21.340 4.601) 22.941 28.414 ( 2.117 -22.241 2.491) 22.480 29.168 ( 6.106 -35.565 -8.480) 37.069 29.616 ( -4.857 10.680 7.639) 14.001 30.081 ( 2.088 -2.004 1.361) 3.198 30.127 ( 2.296 2.334 -1.481) 3.594 30.504 ( 0.152 5.571 -8.195) 9.910 31.267 ( -0.635 -2.495 4.418) 5.113 31.366 ( 4.712 -0.334 -2.120) 5.178 31.801 ( 1.414 -10.745 1.119) 10.895 32.119 ( 5.724 -12.695 -4.236) 14.556 32.331 ( -1.882 11.304 -0.379) 11.466 32.486 ( 0.579 5.705 0.865) 5.799 33.034 ( -2.176 0.530 -0.188) 2.248 33.167 ( -4.075 4.752 1.745) 6.498 36.576 ( 1.228 -2.894 -0.780) 3.239 36.622 ( 1.340 -3.511 1.423) 4.018 36.745 ( 0.034 -2.754 -1.726) 3.250 36.825 ( 0.012 -3.051 -1.507) 3.403 37.031 ( -0.476 2.385 4.630) 5.230 37.168 ( 1.183 6.375 -0.640) 6.515 37.401 ( -4.929 -1.482 4.322) 6.721 37.665 ( -2.409 7.927 -3.901) 9.157 ======================= Grid point 167 (74/90) ======================= q-point: ( 0.38 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 14.426 10.649 -2.696) 18.132 1.493 ( 13.746 14.376 -3.891) 20.267 1.993 ( -0.717 2.772 5.565) 6.259 2.061 ( 3.090 7.418 -6.699) 10.462 2.182 ( -10.262 -2.433 6.630) 12.458 2.362 ( -1.242 5.436 3.554) 6.613 2.456 ( 0.290 -4.037 0.270) 4.057 2.559 ( -3.045 1.291 6.282) 7.099 2.690 ( 6.025 -1.428 -16.581) 17.699 2.779 ( -2.239 1.790 1.478) 3.225 3.036 ( 11.126 1.725 2.404) 11.513 3.190 ( 0.295 1.682 -1.509) 2.279 3.290 ( 5.451 3.047 4.177) 7.512 3.443 ( -5.728 5.115 2.286) 8.013 3.542 ( 10.168 0.740 -2.274) 10.445 3.678 ( 8.489 -1.933 0.255) 8.710 3.893 ( 9.305 -0.327 -4.103) 10.175 3.927 ( 2.663 0.548 0.166) 2.723 4.016 ( -1.231 3.033 0.904) 3.395 4.094 ( -3.449 -0.647 3.661) 5.072 4.184 ( 3.037 -4.771 -0.372) 5.668 4.336 ( -2.129 -0.060 0.993) 2.349 4.383 ( -7.446 -2.515 -0.008) 7.859 4.467 ( 8.555 -1.759 -0.889) 8.779 4.576 ( -5.215 -4.838 -4.951) 8.668 4.740 ( 1.545 3.094 0.347) 3.475 4.778 ( -3.321 3.038 4.067) 6.066 4.841 ( 1.717 -2.426 -2.279) 3.745 4.935 ( 4.811 -1.406 4.993) 7.075 5.041 ( 3.113 -0.411 1.323) 3.408 5.088 ( 0.333 -8.208 -3.201) 8.817 5.146 ( 2.045 -5.673 -2.408) 6.494 5.308 ( 3.583 1.309 0.410) 3.836 5.386 ( -0.636 3.090 3.275) 4.548 5.431 ( -0.178 -0.052 0.338) 0.386 5.512 ( 0.907 -0.071 -0.088) 0.914 5.572 ( -1.160 1.202 2.319) 2.858 5.685 ( -1.779 -1.609 1.705) 2.943 5.691 ( 0.402 6.550 -4.824) 8.144 5.818 ( -0.035 1.764 -1.779) 2.506 6.031 ( 4.050 -1.625 5.599) 7.099 6.166 ( 5.663 2.856 -0.598) 6.371 6.214 ( -0.466 -2.382 -4.428) 5.050 6.267 ( 0.405 3.907 -2.634) 4.730 6.436 ( 1.721 -2.209 1.095) 3.006 6.448 ( 0.069 -0.210 -4.893) 4.898 6.540 ( 3.020 5.016 1.337) 6.006 6.711 ( -5.409 4.093 0.451) 6.798 7.386 ( -1.654 0.724 -0.186) 1.815 7.415 ( -3.260 0.633 0.612) 3.377 7.527 ( -4.502 0.820 1.813) 4.922 7.560 ( -5.516 1.152 -2.109) 6.017 7.677 ( 2.228 2.272 4.662) 5.645 7.818 ( 2.290 -1.075 0.160) 2.535 7.847 ( 0.670 -0.712 -0.533) 1.114 7.873 ( -2.799 -0.432 -1.601) 3.253 9.372 ( -2.553 -0.695 1.320) 2.957 9.473 ( -5.479 -2.206 -1.254) 6.038 9.749 ( -5.393 -2.898 1.937) 6.421 9.770 ( -2.754 -2.554 -2.429) 4.473 9.901 ( -0.053 2.978 2.416) 3.835 9.949 ( -1.301 1.506 1.120) 2.283 10.405 ( 1.715 -2.008 -3.477) 4.366 10.437 ( -2.235 -2.058 1.390) 3.341 11.420 ( 0.545 0.033 -0.911) 1.062 11.439 ( -1.423 -0.027 1.031) 1.757 11.547 ( 1.736 0.827 -0.510) 1.989 11.580 ( 1.041 -0.697 -0.154) 1.262 11.803 ( -2.710 2.923 -0.973) 4.103 11.821 ( -4.305 1.968 1.903) 5.102 12.332 ( -1.183 -3.325 1.444) 3.813 12.354 ( -1.056 -2.649 -0.774) 2.955 13.136 ( -0.553 10.580 3.044) 11.023 13.259 ( -1.759 7.459 -4.450) 8.862 14.114 ( 2.736 0.724 0.768) 2.933 14.224 ( -2.247 -0.550 -2.495) 3.403 14.574 ( 3.299 -7.892 2.094) 8.807 14.710 ( -5.100 -5.642 -2.852) 8.122 14.977 ( -1.524 1.258 10.480) 10.664 15.175 ( -1.371 0.244 -8.016) 8.136 16.026 ( -0.400 0.959 2.717) 2.909 16.080 ( 1.117 1.114 -3.266) 3.627 16.132 ( 1.029 -5.844 4.766) 7.611 16.225 ( 0.585 -9.722 -1.072) 9.799 16.461 ( 4.270 -3.083 0.085) 5.267 16.542 ( 2.421 -4.072 1.772) 5.059 16.606 ( -0.859 -3.548 -1.615) 3.992 16.666 ( -2.647 -1.821 -1.643) 3.609 19.860 ( 1.260 5.107 2.299) 5.741 19.936 ( -0.103 5.890 -2.209) 6.291 20.500 ( -0.005 -6.415 2.990) 7.078 20.584 ( -1.207 -5.555 -1.922) 6.001 21.060 ( -0.662 14.490 4.401) 15.158 21.141 ( -0.842 14.326 -3.610) 14.798 22.428 ( 3.856 -4.691 -0.553) 6.097 22.485 ( 1.406 -2.603 -2.411) 3.816 25.514 ( -0.237 12.877 -1.167) 12.932 25.550 ( -4.572 17.551 1.709) 18.217 28.555 ( 6.577 -24.530 9.552) 27.133 29.023 ( -6.354 -33.481 -12.277) 36.222 29.776 ( 7.430 13.215 11.009) 18.736 30.100 ( -1.616 3.500 -1.747) 4.232 30.165 ( 3.660 -0.911 1.263) 3.978 30.382 ( -3.140 6.166 -9.268) 11.566 31.309 ( -1.089 -1.147 7.071) 7.245 31.398 ( 3.685 -1.359 -6.360) 7.475 31.853 ( 2.719 -7.819 3.014) 8.810 32.068 ( -4.255 -6.833 -4.459) 9.202 32.367 ( 5.253 7.095 -0.809) 8.865 32.489 ( -2.020 5.038 1.329) 5.588 33.018 ( -0.411 -0.347 1.481) 1.576 33.106 ( -3.542 2.764 -0.742) 4.554 36.591 ( 1.264 -2.110 -0.253) 2.472 36.633 ( -0.549 -1.240 -0.422) 1.420 36.756 ( 1.087 -7.436 1.360) 7.638 36.809 ( 0.131 -5.741 -2.102) 6.115 37.078 ( 1.115 1.749 3.503) 4.071 37.160 ( -1.121 3.228 -0.377) 3.438 37.400 ( -1.229 3.476 5.043) 6.247 37.561 ( -3.189 8.956 -6.464) 11.496 ======================= Grid point 168 (75/90) ======================= q-point: (-0.50 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.339 14.019 -3.360) 14.478 1.587 ( 1.339 14.019 3.360) 14.478 1.986 ( 8.267 2.377 -16.981) 19.035 1.986 ( -8.267 2.377 16.981) 19.035 2.233 ( -2.324 0.330 -7.203) 7.575 2.233 ( 2.324 0.330 7.203) 7.575 2.551 ( 1.005 -0.015 -8.994) 9.050 2.551 ( -1.005 -0.015 8.994) 9.050 2.706 ( 2.391 -0.506 -8.736) 9.072 2.706 ( -2.391 -0.506 8.736) 9.072 3.154 ( -1.740 2.536 -3.832) 4.914 3.154 ( 1.740 2.536 3.832) 4.914 3.399 ( 5.427 3.351 -3.072) 7.080 3.399 ( -5.427 3.351 3.072) 7.080 3.684 ( -5.289 2.489 -2.050) 6.194 3.684 ( 5.289 2.489 2.050) 6.194 3.962 ( 0.948 -2.801 -3.071) 4.263 3.962 ( -0.948 -2.801 3.071) 4.263 4.043 ( -3.043 0.985 -0.868) 3.314 4.043 ( 3.043 0.985 0.868) 3.314 4.269 ( 0.131 -3.238 -2.819) 4.296 4.269 ( -0.131 -3.238 2.819) 4.296 4.388 ( -6.109 -3.446 -5.429) 8.869 4.388 ( 6.109 -3.446 5.429) 8.869 4.629 ( -9.626 -1.228 0.892) 9.745 4.629 ( 9.626 -1.228 -0.892) 9.745 4.835 ( -0.046 4.643 -4.342) 6.357 4.835 ( 0.046 4.643 4.342) 6.357 5.025 ( 0.567 -3.063 -4.963) 5.860 5.025 ( -0.567 -3.063 4.963) 5.860 5.122 ( -0.910 -5.422 -2.823) 6.180 5.122 ( 0.910 -5.422 2.823) 6.180 5.373 ( 5.383 -1.228 -4.296) 6.996 5.373 ( -5.383 -1.228 4.296) 6.996 5.492 ( -3.992 1.191 -1.877) 4.569 5.492 ( 3.992 1.191 1.877) 4.569 5.588 ( -1.177 3.541 -5.180) 6.384 5.588 ( 1.177 3.541 5.180) 6.384 5.772 ( -2.315 2.017 -4.188) 5.193 5.772 ( 2.315 2.017 4.188) 5.193 6.136 ( -2.594 -1.525 -4.115) 5.098 6.136 ( 2.594 -1.525 4.115) 5.098 6.253 ( -1.180 1.531 -0.177) 1.941 6.253 ( 1.180 1.531 0.177) 1.941 6.421 ( 3.984 0.128 -2.298) 4.601 6.421 ( -3.984 0.128 2.298) 4.601 6.618 ( -2.667 5.257 -3.324) 6.768 6.618 ( 2.667 5.257 3.324) 6.768 7.377 ( 0.266 0.799 -1.000) 1.307 7.377 ( -0.266 0.799 1.000) 1.307 7.496 ( 0.689 1.067 -2.071) 2.430 7.496 ( -0.689 1.067 2.071) 2.430 7.774 ( -2.639 1.631 -5.293) 6.135 7.774 ( 2.639 1.631 5.293) 6.135 7.853 ( 0.463 -1.533 -1.472) 2.175 7.853 ( -0.463 -1.533 1.472) 2.175 9.387 ( -2.116 -1.637 -2.135) 3.423 9.387 ( 2.116 -1.637 2.135) 3.423 9.723 ( 0.664 -3.326 -2.805) 4.401 9.723 ( -0.664 -3.326 2.805) 4.401 9.929 ( -0.830 2.034 -1.381) 2.595 9.929 ( 0.830 2.034 1.381) 2.595 10.414 ( 2.539 -1.815 -2.136) 3.782 10.414 ( -2.539 -1.815 2.136) 3.782 11.427 ( 1.380 0.237 -1.394) 1.976 11.427 ( -1.380 0.237 1.394) 1.976 11.575 ( -0.914 -0.225 -0.512) 1.072 11.575 ( 0.914 -0.225 0.512) 1.072 11.783 ( 1.850 2.604 -1.542) 3.547 11.783 ( -1.850 2.604 1.542) 3.547 12.335 ( 0.763 -3.188 -2.010) 3.845 12.335 ( -0.763 -3.188 2.010) 3.845 13.183 ( -1.608 8.132 -4.283) 9.331 13.183 ( 1.608 8.132 4.283) 9.331 14.170 ( -1.767 0.409 -1.486) 2.345 14.170 ( 1.767 0.409 1.486) 2.345 14.629 ( 3.464 -6.388 -7.724) 10.605 14.629 ( -3.464 -6.388 7.724) 10.605 15.071 ( 0.149 0.648 -10.649) 10.669 15.071 ( -0.149 0.648 10.649) 10.669 16.053 ( 0.248 0.710 -3.487) 3.567 16.053 ( -0.248 0.710 3.487) 3.567 16.193 ( -0.848 -6.673 -4.044) 7.849 16.193 ( 0.848 -6.673 4.044) 7.849 16.544 ( -2.359 -4.346 -2.891) 5.728 16.544 ( 2.359 -4.346 2.891) 5.728 16.606 ( -0.799 -2.551 -3.177) 4.152 16.606 ( 0.799 -2.551 3.177) 4.152 19.903 ( -0.742 5.072 -2.852) 5.867 19.903 ( 0.742 5.072 2.852) 5.867 20.540 ( -0.907 -5.998 -3.096) 6.811 20.540 ( 0.907 -5.998 3.096) 6.811 21.096 ( 0.255 14.710 -4.416) 15.360 21.096 ( -0.255 14.710 4.416) 15.360 22.472 ( 1.157 -3.566 -3.555) 5.166 22.472 ( -1.157 -3.566 3.555) 5.166 25.513 ( 1.784 14.405 -2.455) 14.721 25.513 ( -1.784 14.405 2.455) 14.721 28.784 ( -3.842 -28.382 -15.368) 32.504 28.784 ( 3.842 -28.382 15.368) 32.504 29.989 ( -0.184 9.781 -13.080) 16.334 29.989 ( 0.184 9.781 13.080) 16.334 30.254 ( -2.452 1.565 -6.048) 6.711 30.254 ( 2.452 1.565 6.048) 6.711 31.365 ( 1.862 -0.979 -8.354) 8.614 31.365 ( -1.862 -0.979 8.354) 8.614 31.949 ( -3.121 -6.030 -5.148) 8.520 31.949 ( 3.121 -6.030 5.148) 8.520 32.444 ( 0.185 5.351 -1.916) 5.687 32.444 ( -0.185 5.351 1.916) 5.687 33.048 ( -1.528 0.613 -2.065) 2.641 33.048 ( 1.528 0.613 2.065) 2.641 36.612 ( -0.674 -1.096 -0.761) 1.495 36.612 ( 0.674 -1.096 0.761) 1.495 36.787 ( 1.384 -7.796 -4.038) 8.888 36.787 ( -1.384 -7.796 4.038) 8.888 37.128 ( -0.266 1.407 -2.541) 2.916 37.128 ( 0.266 1.407 2.541) 2.916 37.457 ( 1.356 7.609 -8.931) 11.811 37.457 ( -1.356 7.609 8.931) 11.811 ======================= Grid point 173 (76/90) ======================= q-point: ( 0.00 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -6.503 13.411 -13.653) 20.212 1.472 ( 6.503 13.411 13.653) 20.212 1.735 ( -1.639 15.798 -17.326) 23.505 1.735 ( 1.639 15.798 17.326) 23.505 2.285 ( 1.808 7.960 -4.066) 9.120 2.285 ( -1.808 7.960 4.066) 9.120 2.612 ( 5.080 4.757 -6.522) 9.538 2.612 ( -5.080 4.757 6.522) 9.538 2.868 ( -5.737 3.126 -3.342) 7.339 2.868 ( 5.737 3.126 3.342) 7.339 2.988 ( -2.646 0.637 -5.861) 6.462 2.988 ( 2.646 0.637 5.861) 6.462 3.235 ( -4.676 -1.596 -0.888) 5.020 3.235 ( 4.676 -1.596 0.888) 5.020 3.408 ( -11.044 -4.267 -3.056) 12.227 3.408 ( 11.044 -4.267 3.056) 12.227 3.783 ( 1.456 -3.471 -5.220) 6.435 3.783 ( -1.456 -3.471 5.220) 6.435 3.971 ( -0.573 2.530 -3.520) 4.373 3.971 ( 0.573 2.530 3.520) 4.373 4.256 ( 4.063 -2.875 -2.532) 5.585 4.256 ( -4.063 -2.875 2.532) 5.585 4.392 ( -0.719 -0.612 -1.352) 1.649 4.392 ( 0.719 -0.612 1.352) 1.649 4.583 ( -4.267 -1.388 -0.784) 4.555 4.583 ( 4.267 -1.388 0.784) 4.555 4.747 ( 1.021 -6.072 -3.353) 7.011 4.747 ( -1.021 -6.072 3.353) 7.011 4.814 ( -4.172 3.750 -3.765) 6.756 4.814 ( 4.172 3.750 3.765) 6.756 5.201 ( -0.373 1.216 -1.960) 2.336 5.201 ( 0.373 1.216 1.960) 2.336 5.242 ( -1.632 -1.766 -3.605) 4.333 5.242 ( 1.632 -1.766 3.605) 4.333 5.462 ( 1.566 4.092 -1.524) 4.638 5.462 ( -1.566 4.092 1.524) 4.638 5.582 ( 4.607 0.883 -2.331) 5.239 5.582 ( -4.607 0.883 2.331) 5.239 5.747 ( -0.303 -0.452 -4.022) 4.058 5.747 ( 0.303 -0.452 4.022) 4.058 5.991 ( 0.072 -1.826 -4.383) 4.749 5.991 ( -0.072 -1.826 4.383) 4.749 6.156 ( -1.333 -1.954 -4.315) 4.921 6.156 ( 1.333 -1.954 4.315) 4.921 6.444 ( -3.063 6.348 -0.843) 7.098 6.444 ( 3.063 6.348 0.843) 7.098 6.734 ( -4.934 -1.776 -3.259) 6.174 6.734 ( 4.934 -1.776 3.259) 6.174 7.507 ( 0.935 0.469 -2.400) 2.618 7.507 ( -0.935 0.469 2.400) 2.618 7.633 ( 1.710 3.020 -3.693) 5.068 7.633 ( -1.710 3.020 3.693) 5.068 7.772 ( -1.518 0.339 -0.446) 1.618 7.772 ( 1.518 0.339 0.446) 1.618 7.876 ( -1.474 -1.697 -0.786) 2.381 7.876 ( 1.474 -1.697 0.786) 2.381 9.628 ( -0.052 2.077 -2.364) 3.147 9.628 ( 0.052 2.077 2.364) 3.147 9.896 ( 1.146 -0.180 -2.218) 2.503 9.896 ( -1.146 -0.180 2.218) 2.503 10.043 ( -1.104 1.566 -0.799) 2.076 10.043 ( 1.104 1.566 0.799) 2.076 10.365 ( 0.227 -4.458 -1.439) 4.690 10.365 ( -0.227 -4.458 1.439) 4.690 11.439 ( 1.265 -1.985 -1.048) 2.577 11.439 ( -1.265 -1.985 1.048) 2.577 11.516 ( 0.382 0.296 -0.916) 1.036 11.516 ( -0.382 0.296 0.916) 1.036 12.037 ( -0.670 3.522 -1.265) 3.801 12.037 ( 0.670 3.522 1.265) 3.801 12.364 ( -0.341 -3.298 -0.720) 3.393 12.364 ( 0.341 -3.298 0.720) 3.393 13.543 ( 1.354 16.700 -6.067) 17.820 13.543 ( -1.354 16.700 6.067) 17.820 14.120 ( -2.172 -0.238 -2.349) 3.208 14.120 ( 2.172 -0.238 2.349) 3.208 14.552 ( -4.749 -8.151 -4.291) 10.364 14.552 ( 4.749 -8.151 4.291) 10.364 15.065 ( -0.310 -8.764 -3.162) 9.322 15.065 ( 0.310 -8.764 3.162) 9.322 15.981 ( -0.505 -0.059 -1.578) 1.658 15.981 ( 0.505 -0.059 1.578) 1.658 16.078 ( 1.830 2.649 -2.946) 4.364 16.078 ( -1.830 2.649 2.946) 4.364 16.380 ( 0.770 -5.698 -1.504) 5.943 16.380 ( -0.770 -5.698 1.504) 5.943 16.570 ( -1.424 -5.666 -1.557) 6.046 16.570 ( 1.424 -5.666 1.557) 6.046 20.012 ( -1.046 7.062 -3.259) 7.848 20.012 ( 1.046 7.062 3.259) 7.848 20.458 ( -1.637 -4.703 -0.877) 5.056 20.458 ( 1.637 -4.703 0.877) 5.056 21.418 ( -4.801 11.885 -1.129) 12.868 21.418 ( 4.801 11.885 1.129) 12.868 22.222 ( -2.018 -6.893 -3.637) 8.051 22.222 ( 2.018 -6.893 3.637) 8.051 26.071 ( 0.717 22.647 -11.815) 25.554 26.071 ( -0.717 22.647 11.815) 25.554 28.119 ( -9.565 -28.835 -1.801) 30.434 28.119 ( 9.565 -28.835 1.801) 30.434 30.089 ( -1.761 1.832 -1.606) 3.006 30.089 ( 1.761 1.832 1.606) 3.006 30.198 ( -12.759 -0.758 -3.001) 13.129 30.198 ( 12.759 -0.758 3.001) 13.129 31.253 ( 0.226 -1.466 -4.228) 4.481 31.253 ( -0.226 -1.466 4.228) 4.481 31.591 ( -3.689 -9.750 0.228) 10.427 31.591 ( 3.689 -9.750 -0.228) 10.427 32.618 ( 0.674 8.932 -3.692) 9.688 32.618 ( -0.674 8.932 3.692) 9.688 33.196 ( -0.910 -0.455 -4.619) 4.730 33.196 ( 0.910 -0.455 4.619) 4.730 36.518 ( 0.392 -2.350 -2.129) 3.195 36.518 ( -0.392 -2.350 2.129) 3.195 36.805 ( 0.089 -0.601 -2.701) 2.768 36.805 ( -0.089 -0.601 2.701) 2.768 37.176 ( -0.989 6.239 -4.235) 7.605 37.176 ( 0.989 6.239 4.235) 7.605 37.613 ( 0.616 -0.469 -7.900) 7.938 37.613 ( -0.616 -0.469 7.900) 7.938 ======================= Grid point 175 (77/90) ======================= q-point: ( 0.12 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 5.138 16.376 -8.877) 19.323 1.558 ( 2.196 13.702 -9.407) 16.765 1.780 ( 11.189 12.935 5.509) 17.969 1.949 ( 6.658 10.827 9.177) 15.677 2.352 ( 4.950 2.416 2.456) 6.031 2.455 ( 14.991 10.699 -0.966) 18.443 2.560 ( -4.658 -0.332 4.943) 6.800 2.701 ( -1.047 9.547 -2.856) 10.020 2.744 ( 5.323 0.867 -3.550) 6.457 2.822 ( -7.825 3.650 -4.196) 9.600 2.935 ( 0.070 -0.369 -4.225) 4.242 2.980 ( -3.555 -1.681 -0.454) 3.958 3.193 ( -8.034 2.351 6.176) 10.402 3.273 ( 7.732 3.212 -1.308) 8.474 3.377 ( 9.266 -4.487 0.824) 10.329 3.540 ( 2.614 -2.055 -3.275) 4.667 3.760 ( 2.461 -2.622 -3.532) 5.041 3.851 ( 1.537 -4.862 7.889) 9.394 3.970 ( 3.193 3.626 -3.560) 6.002 4.076 ( 6.694 2.898 2.394) 7.677 4.181 ( -6.586 -3.832 2.373) 7.981 4.269 ( 1.620 1.005 -2.587) 3.214 4.367 ( -1.766 -0.615 0.515) 1.940 4.466 ( 3.759 -2.468 -0.124) 4.498 4.571 ( 3.313 -2.412 3.897) 5.655 4.634 ( 0.046 -4.281 -0.167) 4.285 4.711 ( -2.172 -2.529 -1.168) 3.533 4.735 ( -3.175 -4.496 2.439) 6.020 4.788 ( 4.877 -1.548 -1.771) 5.414 4.926 ( 1.190 3.609 0.539) 3.838 5.106 ( -5.638 -0.509 -0.250) 5.667 5.157 ( -1.966 0.692 1.474) 2.553 5.235 ( 2.004 -2.509 0.692) 3.285 5.276 ( -1.484 2.244 1.254) 2.968 5.459 ( 1.261 3.228 0.041) 3.465 5.506 ( 3.482 3.289 -1.711) 5.086 5.552 ( -2.622 0.543 0.802) 2.795 5.651 ( 2.668 -1.237 1.747) 3.421 5.769 ( 3.351 -0.471 -0.080) 3.385 5.879 ( 8.343 -2.375 3.577) 9.383 5.921 ( -1.141 -0.271 -3.771) 3.949 6.016 ( 1.038 0.012 1.588) 1.897 6.109 ( 2.426 0.168 -4.195) 4.849 6.219 ( 1.655 -2.396 1.360) 3.213 6.396 ( -0.566 5.015 -1.937) 5.406 6.506 ( 4.228 5.678 -1.210) 7.182 6.623 ( -3.896 0.309 -3.058) 4.963 6.813 ( 1.936 -1.796 -0.243) 2.652 7.483 ( -1.495 0.982 -0.603) 1.888 7.517 ( -0.680 0.472 1.659) 1.854 7.623 ( -0.682 0.447 -0.948) 1.251 7.642 ( -0.864 2.671 2.476) 3.743 7.710 ( -3.839 1.127 -0.185) 4.005 7.759 ( -2.062 -0.921 -1.070) 2.499 7.874 ( 0.963 1.945 1.036) 2.406 7.903 ( -0.081 -2.681 0.486) 2.726 9.561 ( -5.535 2.361 -0.802) 6.070 9.625 ( -3.347 0.915 1.356) 3.725 9.865 ( -2.810 -1.282 -1.065) 3.267 9.876 ( -4.542 -1.648 2.174) 5.298 10.008 ( -1.573 2.924 -0.075) 3.321 10.039 ( -2.323 2.546 0.593) 3.497 10.358 ( 0.848 -4.415 -1.708) 4.810 10.380 ( 0.540 -4.209 0.493) 4.272 11.427 ( -1.416 -1.448 1.341) 2.429 11.444 ( 0.175 -1.534 -0.562) 1.643 11.528 ( 1.280 -0.150 -0.273) 1.318 11.529 ( 1.821 0.493 -0.704) 2.014 11.985 ( -3.864 3.318 -0.585) 5.127 12.025 ( -3.353 3.793 0.599) 5.098 12.322 ( -3.577 -3.310 0.671) 4.920 12.361 ( -1.400 -3.646 -0.323) 3.919 13.481 ( -4.240 15.122 1.416) 15.769 13.600 ( -0.540 17.195 4.140) 17.695 14.085 ( -0.389 1.154 -0.382) 1.277 14.199 ( 3.708 -2.832 3.440) 5.797 14.414 ( -4.906 -5.243 -6.796) 9.886 14.648 ( 2.746 -10.160 1.601) 10.645 14.953 ( -7.510 -4.162 3.050) 9.112 15.147 ( 4.589 -12.130 -3.294) 13.381 15.961 ( -0.168 -0.976 -1.027) 1.426 16.006 ( 1.067 1.180 0.661) 1.723 16.075 ( -0.250 1.954 1.214) 2.314 16.094 ( 0.981 2.540 0.346) 2.745 16.367 ( 0.676 -5.056 -2.881) 5.858 16.373 ( -0.179 -5.838 -0.708) 5.883 16.531 ( -1.312 -5.497 0.332) 5.661 16.620 ( 1.650 -6.127 0.512) 6.366 19.974 ( -0.431 7.523 -1.706) 7.726 20.062 ( 0.633 6.401 3.402) 7.277 20.419 ( -1.913 -4.251 -0.707) 4.714 20.493 ( 1.233 -4.911 0.728) 5.116 21.336 ( -3.200 12.483 -0.507) 12.897 21.489 ( 3.028 12.869 -0.994) 13.258 22.187 ( 2.097 -7.281 -2.918) 8.119 22.305 ( 4.043 -6.991 1.901) 8.297 25.967 ( -1.664 21.339 -6.588) 22.395 26.151 ( -6.073 23.561 13.262) 27.711 27.956 ( -6.260 -25.488 -1.823) 26.309 28.294 ( 9.799 -34.525 -2.080) 35.949 29.920 ( -12.474 6.514 0.567) 14.084 30.058 ( -0.023 1.021 -1.331) 1.678 30.139 ( 2.756 2.393 0.553) 3.692 30.454 ( 13.556 -3.813 -4.471) 14.775 31.218 ( 0.016 -0.645 -2.045) 2.144 31.301 ( 1.455 -1.208 3.199) 3.716 31.548 ( -0.325 -9.619 0.983) 9.675 31.718 ( 11.066 -11.343 -3.616) 16.254 32.585 ( -0.779 9.222 -2.332) 9.544 32.642 ( -0.577 9.006 2.758) 9.437 33.115 ( -3.312 -0.300 -3.767) 5.025 33.230 ( -1.921 -1.138 3.546) 4.191 36.506 ( 0.414 -2.774 -1.286) 3.085 36.534 ( 0.011 -2.188 1.739) 2.794 36.767 ( -1.015 -0.339 -3.253) 3.424 36.813 ( -1.377 -0.925 1.017) 1.946 37.105 ( -3.333 5.109 1.297) 6.237 37.281 ( 5.346 7.382 1.502) 9.238 37.446 ( -10.474 -1.288 1.589) 10.671 37.740 ( 5.014 0.021 -0.121) 5.015 ======================= Grid point 176 (78/90) ======================= q-point: ( 0.25 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 15.309 12.876 -3.504) 20.308 1.596 ( 12.885 13.643 -6.558) 19.879 1.959 ( 4.493 4.206 3.333) 6.999 2.158 ( 7.986 11.851 8.235) 16.494 2.377 ( -11.742 6.499 2.610) 13.672 2.403 ( -0.702 -1.900 0.373) 2.060 2.558 ( -2.921 2.314 -8.959) 9.703 2.626 ( -7.250 3.197 -0.460) 7.937 2.743 ( 0.333 -2.662 -7.516) 7.981 2.848 ( 12.284 10.585 -0.621) 16.227 3.007 ( 1.707 4.065 6.121) 7.543 3.062 ( 19.232 0.030 -1.482) 19.289 3.163 ( -1.083 2.924 6.550) 7.254 3.419 ( 5.903 2.484 -0.952) 6.475 3.487 ( 0.365 -4.308 -6.256) 7.605 3.556 ( 10.497 1.444 2.572) 10.904 3.796 ( 4.450 -0.296 -1.902) 4.848 3.960 ( 0.579 0.422 2.754) 2.845 3.976 ( 1.802 -1.760 3.007) 3.922 4.081 ( -6.110 -4.097 1.012) 7.426 4.156 ( 2.340 5.066 -1.553) 5.793 4.327 ( 1.320 -4.112 -1.879) 4.709 4.363 ( 2.698 0.707 1.038) 2.976 4.479 ( -1.346 1.087 -1.121) 2.061 4.585 ( -3.058 -3.540 -1.650) 4.961 4.655 ( 0.761 -4.968 1.859) 5.359 4.717 ( 4.522 -0.125 3.457) 5.694 4.744 ( 0.657 -0.994 3.464) 3.663 4.854 ( 1.169 -4.022 -1.190) 4.354 4.911 ( 5.211 -4.109 -1.094) 6.725 5.044 ( -2.424 -1.957 -1.224) 3.347 5.111 ( -6.161 0.687 -2.122) 6.553 5.266 ( 0.379 2.926 3.788) 4.802 5.348 ( 6.065 -3.112 1.531) 6.987 5.485 ( 0.449 0.384 -0.909) 1.084 5.517 ( -0.432 3.258 -0.748) 3.370 5.550 ( 1.914 1.301 3.303) 4.033 5.661 ( -1.730 -0.714 0.388) 1.911 5.818 ( 2.652 0.155 0.581) 2.719 5.869 ( -0.359 2.386 -5.089) 5.632 5.965 ( 2.385 1.977 2.111) 3.749 6.122 ( 6.544 -2.181 -3.667) 7.812 6.181 ( 4.416 0.322 2.648) 5.159 6.262 ( 4.957 -0.425 1.972) 5.352 6.395 ( 2.079 2.746 -1.334) 3.694 6.515 ( -0.437 5.463 -4.165) 6.884 6.587 ( 2.474 0.963 -1.816) 3.217 6.789 ( -1.612 -0.507 -3.044) 3.481 7.448 ( -1.863 1.604 -0.665) 2.546 7.512 ( -2.018 1.568 1.233) 2.838 7.580 ( -4.030 -1.050 1.032) 4.291 7.636 ( -3.446 -0.800 0.491) 3.572 7.676 ( 0.292 2.071 1.548) 2.602 7.745 ( 0.539 -0.557 1.045) 1.301 7.868 ( -1.937 0.669 -0.773) 2.190 7.903 ( -1.280 0.154 1.859) 2.262 9.448 ( -6.984 1.558 0.010) 7.155 9.547 ( -6.888 -0.615 0.266) 6.921 9.776 ( -6.812 -3.930 -0.298) 7.870 9.795 ( -6.510 -3.086 0.654) 7.234 9.998 ( -1.396 4.172 1.275) 4.580 10.006 ( -1.167 4.445 0.735) 4.653 10.354 ( 1.121 -3.689 -2.406) 4.544 10.387 ( -0.186 -3.778 0.341) 3.798 11.420 ( -0.867 -0.740 1.161) 1.627 11.440 ( -0.187 -0.501 -0.027) 0.536 11.543 ( 1.195 -0.436 -0.877) 1.545 11.554 ( 2.333 0.547 -1.607) 2.885 11.921 ( -3.846 3.323 1.049) 5.190 11.952 ( -5.313 3.726 0.005) 6.489 12.274 ( -3.502 -3.870 1.801) 5.521 12.321 ( -2.409 -4.077 -0.898) 4.820 13.431 ( -4.529 14.064 3.027) 15.082 13.583 ( -3.914 16.565 -0.175) 17.022 14.097 ( 0.916 1.844 1.654) 2.641 14.266 ( -0.473 -2.147 -3.808) 4.397 14.320 ( 2.701 -6.496 0.997) 7.106 14.648 ( -2.271 -9.634 -2.172) 10.133 14.919 ( -3.451 -2.038 8.228) 9.152 15.144 ( 1.074 -12.210 -6.185) 13.729 15.960 ( 0.358 -2.475 0.587) 2.568 16.032 ( 1.166 0.742 1.104) 1.768 16.087 ( 0.192 0.336 0.503) 0.634 16.116 ( 1.087 3.007 0.761) 3.286 16.357 ( 1.549 -3.998 -2.311) 4.870 16.383 ( 2.250 -6.194 -0.160) 6.592 16.521 ( -0.428 -5.947 -0.274) 5.969 16.626 ( -0.947 -5.982 -0.324) 6.065 19.968 ( 0.652 7.400 0.014) 7.429 20.088 ( -0.569 6.322 1.276) 6.475 20.391 ( -0.725 -3.713 0.113) 3.784 20.505 ( -0.329 -4.644 0.114) 4.657 21.318 ( -0.273 13.175 2.374) 13.390 21.495 ( 0.695 14.423 -3.447) 14.845 22.228 ( 4.710 -7.549 -0.841) 8.938 22.372 ( 3.136 -6.591 -0.718) 7.334 25.895 ( -0.905 20.405 -3.446) 20.714 26.114 ( -10.949 24.280 8.208) 27.871 27.909 ( 0.095 -25.356 2.947) 25.527 28.360 ( 2.982 -37.767 -6.412) 38.423 29.861 ( 0.818 10.317 6.505) 12.224 30.067 ( 1.993 0.311 -0.041) 2.017 30.181 ( 2.333 2.735 -0.926) 3.712 30.535 ( 4.347 -1.946 -8.114) 9.408 31.224 ( 1.459 -0.802 0.927) 1.905 31.358 ( 2.652 -0.323 0.578) 2.734 31.587 ( 2.549 -9.595 2.802) 10.316 31.844 ( 9.048 -12.216 -6.059) 16.366 32.551 ( -0.889 9.715 -1.252) 9.835 32.650 ( -0.972 8.837 1.341) 8.991 33.031 ( -3.184 -1.089 -1.411) 3.649 33.202 ( -4.483 -1.264 1.643) 4.939 36.510 ( 0.876 -2.940 0.099) 3.069 36.556 ( 0.914 -2.603 1.322) 3.060 36.710 ( -1.627 -0.740 -3.760) 4.164 36.782 ( -2.642 -1.395 -0.238) 2.998 37.093 ( -0.858 3.443 2.652) 4.430 37.288 ( -6.057 3.080 0.176) 6.797 37.406 ( 2.874 3.248 4.007) 5.904 37.765 ( -0.526 1.688 -2.100) 2.745 ======================= Grid point 177 (79/90) ======================= q-point: ( 0.38 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 14.478 10.668 -2.573) 18.167 1.814 ( 15.657 14.458 -1.177) 21.344 2.038 ( 2.517 1.661 1.889) 3.558 2.150 ( -13.982 0.486 7.064) 15.673 2.276 ( -1.224 8.872 -6.941) 11.331 2.393 ( -7.444 2.491 -4.049) 8.832 2.485 ( 0.809 3.879 9.858) 10.624 2.597 ( 3.509 0.135 -7.280) 8.083 2.652 ( 2.524 2.303 -0.689) 3.485 2.899 ( -4.822 7.243 -0.598) 8.721 3.139 ( 6.403 6.977 3.326) 10.037 3.215 ( 2.869 1.373 0.954) 3.321 3.390 ( 11.470 4.813 1.878) 12.580 3.441 ( 4.281 -4.215 -5.486) 8.135 3.491 ( 3.846 -3.923 2.251) 5.937 3.723 ( 6.703 5.037 -1.065) 8.452 3.876 ( 5.901 -1.984 0.573) 6.252 3.940 ( -0.110 0.075 -1.085) 1.093 3.999 ( -3.430 -1.876 0.767) 3.984 4.090 ( 2.413 -3.989 7.291) 8.654 4.168 ( 0.279 5.230 0.448) 5.257 4.278 ( -6.949 -4.778 -2.884) 8.912 4.338 ( -0.676 -1.625 0.927) 1.989 4.429 ( -2.950 -0.483 -3.462) 4.574 4.512 ( -0.558 -2.638 -3.367) 4.313 4.743 ( -4.430 -1.826 -3.671) 6.036 4.762 ( 5.701 -3.900 1.560) 7.081 4.843 ( 1.846 0.707 5.402) 5.753 4.891 ( 5.156 -2.269 2.626) 6.215 4.952 ( 2.293 -4.315 -2.960) 5.713 5.028 ( 0.238 -4.761 -2.331) 5.306 5.040 ( 3.643 -1.044 -0.932) 3.902 5.328 ( 0.773 1.710 4.523) 4.896 5.394 ( -0.724 -1.219 2.981) 3.301 5.428 ( -3.620 -0.026 -0.744) 3.696 5.538 ( 0.837 0.312 -0.193) 0.914 5.613 ( 3.430 3.528 -0.399) 4.937 5.679 ( -0.334 1.956 4.349) 4.780 5.812 ( 0.204 4.351 -3.132) 5.365 5.857 ( 2.063 0.777 -2.895) 3.639 6.035 ( 3.417 1.701 2.658) 4.651 6.164 ( 0.288 -1.608 -0.428) 1.689 6.246 ( 5.373 4.282 -0.283) 6.876 6.359 ( 2.877 1.522 -0.905) 3.378 6.405 ( -0.585 1.190 -0.335) 1.368 6.466 ( 0.677 2.989 -5.550) 6.340 6.621 ( 3.074 2.212 0.691) 3.850 6.743 ( -1.379 -0.484 -1.989) 2.468 7.418 ( -0.528 2.163 -0.875) 2.393 7.469 ( -4.000 3.048 0.835) 5.097 7.532 ( -3.442 -0.023 1.805) 3.887 7.566 ( -4.117 -0.143 -0.991) 4.237 7.718 ( 3.161 1.138 1.225) 3.577 7.781 ( 0.713 -2.204 2.902) 3.713 7.830 ( -1.420 -0.421 -0.560) 1.583 7.879 ( -2.778 0.905 0.162) 2.926 9.358 ( -4.020 -0.059 1.046) 4.155 9.428 ( -6.282 -1.713 -0.994) 6.586 9.668 ( -5.807 -4.686 1.123) 7.546 9.693 ( -4.755 -4.661 -1.482) 6.821 9.990 ( -1.230 5.136 2.364) 5.786 10.007 ( 0.169 4.069 -0.394) 4.092 10.352 ( 1.574 -2.919 -2.115) 3.934 10.381 ( -1.224 -3.234 0.707) 3.530 11.424 ( 0.479 0.192 0.179) 0.546 11.439 ( -0.578 0.105 1.012) 1.170 11.550 ( 0.904 -0.483 -0.809) 1.305 11.571 ( 1.560 -0.175 -1.819) 2.403 11.874 ( -3.082 3.772 -0.545) 4.902 11.879 ( -3.270 3.484 1.753) 5.090 12.248 ( -2.079 -4.513 2.262) 5.460 12.277 ( -1.452 -4.581 -1.344) 4.990 13.399 ( -2.916 13.826 3.482) 14.553 13.493 ( -3.285 14.864 -4.400) 15.846 14.140 ( 1.517 1.696 2.458) 3.350 14.216 ( -0.227 -0.061 -2.997) 3.006 14.406 ( 3.448 -7.837 2.777) 9.001 14.568 ( -3.353 -7.209 -3.303) 8.609 14.964 ( -2.551 -3.880 9.447) 10.527 15.082 ( 0.470 -9.836 -7.851) 12.594 15.982 ( 1.021 -3.119 1.421) 3.576 16.048 ( -1.148 -2.454 0.750) 2.812 16.098 ( 1.092 1.828 0.864) 2.298 16.137 ( 0.844 1.246 -0.465) 1.575 16.380 ( 2.856 -4.458 -0.398) 5.309 16.433 ( 2.712 -6.180 0.851) 6.802 16.504 ( -0.977 -5.721 -0.444) 5.821 16.587 ( -2.350 -5.433 -1.673) 6.151 19.992 ( 1.297 6.990 1.313) 7.230 20.070 ( -1.329 6.493 -1.213) 6.738 20.403 ( 0.950 -3.429 1.648) 3.922 20.485 ( -1.433 -4.059 -1.033) 4.427 21.357 ( 0.295 13.796 4.698) 14.577 21.458 ( 0.160 15.071 -4.877) 15.841 22.304 ( 3.896 -7.123 1.101) 8.194 22.392 ( 1.123 -6.136 -2.334) 6.660 25.872 ( 1.270 20.644 -1.862) 20.767 25.996 ( -8.977 23.722 3.007) 25.541 27.997 ( 2.925 -27.947 8.361) 29.317 28.284 ( -1.696 -35.476 -9.466) 36.756 30.008 ( 5.036 8.354 8.745) 13.101 30.120 ( 1.831 0.007 3.517) 3.965 30.198 ( 2.572 2.976 -2.133) 4.474 30.461 ( -1.573 1.184 -10.173) 10.362 31.276 ( 2.092 -1.085 3.082) 3.880 31.379 ( 0.943 -0.505 -2.722) 2.924 31.681 ( 3.460 -8.372 5.749) 10.729 31.873 ( 2.630 -10.306 -7.522) 13.028 32.544 ( 1.217 8.886 -0.340) 8.976 32.630 ( -2.298 7.767 -0.122) 8.101 33.002 ( -0.215 -1.478 1.416) 2.058 33.127 ( -4.909 -1.008 -0.524) 5.039 36.536 ( 1.115 -2.611 1.820) 3.372 36.592 ( 2.009 -2.565 0.639) 3.320 36.648 ( -1.023 -2.418 -3.428) 4.318 36.727 ( -3.403 -2.505 -0.647) 4.274 37.117 ( 0.962 2.104 1.760) 2.906 37.206 ( -4.504 1.186 1.052) 4.775 37.499 ( 3.678 5.462 3.634) 7.522 37.699 ( -3.246 4.006 -3.980) 6.513 ======================= Grid point 178 (80/90) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -12.611 9.829 -0.003) 15.989 1.871 ( 12.611 9.829 0.003) 15.989 2.078 ( -5.456 7.273 -9.439) 13.105 2.078 ( 5.456 7.273 9.439) 13.106 2.238 ( -4.666 1.963 -3.902) 6.391 2.238 ( 4.666 1.963 3.902) 6.391 2.550 ( 6.721 0.168 -15.467) 16.865 2.550 ( -6.721 0.168 15.467) 16.865 2.787 ( -6.749 6.201 -2.335) 9.458 2.787 ( 6.749 6.201 2.335) 9.458 3.218 ( 1.141 4.357 -3.011) 5.418 3.218 ( -1.141 4.357 3.011) 5.418 3.449 ( 2.371 0.307 -5.803) 6.276 3.449 ( -2.371 0.307 5.803) 6.276 3.678 ( -4.979 -2.401 -4.504) 7.130 3.678 ( 4.979 -2.401 4.504) 7.130 3.930 ( 3.643 -0.316 -6.010) 7.035 3.930 ( -3.643 -0.316 6.010) 7.035 4.078 ( -9.331 0.922 -1.604) 9.512 4.078 ( 9.331 0.922 1.604) 9.513 4.208 ( -0.796 -0.756 -4.384) 4.519 4.208 ( 0.796 -0.756 4.384) 4.519 4.327 ( -1.539 -2.278 -2.952) 4.034 4.327 ( 1.539 -2.278 2.952) 4.034 4.579 ( -8.549 -3.847 -1.128) 9.442 4.579 ( 8.549 -3.847 1.128) 9.442 4.853 ( -2.027 -2.378 -0.704) 3.202 4.853 ( 2.027 -2.378 0.704) 3.202 4.968 ( 1.631 -3.662 -4.877) 6.313 4.968 ( -1.631 -3.662 4.877) 6.313 5.046 ( -1.813 -1.047 -2.099) 2.964 5.046 ( 1.813 -1.047 2.099) 2.964 5.356 ( -1.000 0.237 -0.958) 1.405 5.356 ( 1.000 0.237 0.958) 1.405 5.492 ( -2.452 -0.721 -5.829) 6.364 5.492 ( 2.452 -0.721 5.829) 6.364 5.670 ( 3.018 4.485 -1.450) 5.596 5.670 ( -3.018 4.485 1.450) 5.596 5.828 ( -0.676 2.401 -3.489) 4.289 5.828 ( 0.676 2.401 3.489) 4.289 6.124 ( -3.733 0.224 -1.850) 4.173 6.124 ( 3.733 0.224 1.850) 4.173 6.326 ( -2.392 4.996 -2.206) 5.962 6.326 ( 2.392 4.996 2.206) 5.962 6.426 ( -0.256 0.503 -2.261) 2.330 6.426 ( 0.256 0.503 2.261) 2.330 6.686 ( -2.218 1.204 -2.872) 3.823 6.686 ( 2.218 1.204 2.872) 3.823 7.423 ( 1.304 2.962 -1.470) 3.554 7.423 ( -1.304 2.962 1.470) 3.554 7.515 ( 0.049 0.856 -1.545) 1.767 7.515 ( -0.049 0.856 1.545) 1.767 7.786 ( 1.236 -1.659 -3.027) 3.666 7.786 ( -1.236 -1.659 3.027) 3.666 7.829 ( -1.442 0.374 -1.626) 2.206 7.829 ( 1.442 0.374 1.626) 2.206 9.349 ( -0.654 -1.506 -2.056) 2.631 9.349 ( 0.654 -1.506 2.056) 2.631 9.633 ( 0.059 -5.123 -1.882) 5.458 9.633 ( -0.059 -5.123 1.882) 5.458 10.000 ( 0.432 4.529 -1.920) 4.938 10.000 ( -0.432 4.529 1.920) 4.938 10.364 ( 1.730 -2.810 -1.308) 3.549 10.364 ( -1.730 -2.810 1.308) 3.549 11.435 ( 1.244 0.577 -1.329) 1.910 11.435 ( -1.244 0.577 1.329) 1.910 11.563 ( -0.370 -0.785 -1.168) 1.455 11.563 ( 0.370 -0.785 1.168) 1.455 11.853 ( 1.067 3.820 -1.403) 4.207 11.853 ( -1.067 3.820 1.403) 4.207 12.250 ( 0.672 -4.791 -2.394) 5.398 12.250 ( -0.672 -4.791 2.394) 5.398 13.416 ( 0.056 13.840 -4.828) 14.658 13.416 ( -0.056 13.840 4.828) 14.658 14.184 ( 0.237 0.991 -3.239) 3.395 14.184 ( -0.237 0.991 3.239) 3.395 14.485 ( 0.376 -6.956 -6.097) 9.257 14.485 ( -0.376 -6.956 6.097) 9.257 15.017 ( 1.737 -6.809 -8.748) 11.221 15.017 ( -1.737 -6.809 8.748) 11.221 16.018 ( -1.515 -2.862 -1.260) 3.475 16.018 ( 1.515 -2.862 1.260) 3.475 16.128 ( 0.959 0.908 -3.207) 3.468 16.128 ( -0.959 0.908 3.207) 3.468 16.432 ( -0.040 -5.945 -3.107) 6.708 16.432 ( 0.040 -5.945 3.107) 6.708 16.526 ( -1.445 -4.987 -2.962) 5.977 16.526 ( 1.445 -4.987 2.962) 5.977 20.031 ( -1.427 6.652 -1.879) 7.058 20.031 ( 1.427 6.652 1.879) 7.058 20.444 ( -1.653 -3.576 -1.864) 4.359 20.444 ( 1.653 -3.576 1.864) 4.359 21.409 ( 0.159 14.670 -5.403) 15.634 21.409 ( -0.159 14.670 5.403) 15.634 22.366 ( -0.643 -6.447 -2.963) 7.124 22.366 ( 0.643 -6.447 2.963) 7.124 25.904 ( 1.680 22.026 -3.073) 22.303 25.904 ( -1.680 22.026 3.073) 22.303 28.143 ( -2.161 -31.659 -11.111) 33.622 28.143 ( 2.161 -31.659 11.111) 33.622 30.123 ( 0.766 3.490 -4.433) 5.694 30.123 ( -0.766 3.490 4.433) 5.694 30.306 ( -2.799 2.798 -10.682) 11.391 30.306 ( 2.799 2.798 10.682) 11.391 31.341 ( 0.018 -0.904 -4.981) 5.062 31.341 ( -0.018 -0.904 4.981) 5.062 31.797 ( -1.649 -8.126 -7.808) 11.389 31.797 ( 1.649 -8.126 7.808) 11.389 32.581 ( -1.890 7.411 -0.939) 7.706 32.581 ( 1.890 7.411 0.939) 7.706 33.046 ( -3.067 -1.110 -1.981) 3.816 33.046 ( 3.067 -1.110 1.981) 3.816 36.579 ( -0.942 -1.782 -3.071) 3.673 36.579 ( 0.942 -1.782 3.071) 3.673 36.664 ( 0.575 -3.859 -3.858) 5.487 36.664 ( -0.575 -3.859 3.858) 5.487 37.155 ( -1.046 1.263 -1.002) 1.922 37.155 ( 1.046 1.263 1.002) 1.922 37.598 ( 0.333 5.465 -7.839) 9.562 37.598 ( -0.333 5.465 7.839) 9.562 ======================= Grid point 183 (81/90) ======================= q-point: ( 0.00 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -4.990 13.705 -4.330) 15.214 1.762 ( 4.990 13.705 4.330) 15.214 2.040 ( -0.836 10.852 -10.122) 14.863 2.040 ( 0.836 10.852 10.122) 14.863 2.314 ( -6.380 -1.342 -0.137) 6.521 2.314 ( 6.380 -1.342 0.137) 6.521 2.684 ( -2.506 1.385 -3.573) 4.579 2.684 ( 2.506 1.384 3.573) 4.579 2.831 ( 1.922 -6.012 -4.144) 7.551 2.831 ( -1.922 -6.012 4.144) 7.551 3.079 ( 6.412 6.498 -9.656) 13.288 3.079 ( -6.412 6.498 9.656) 13.288 3.224 ( -4.751 -0.744 -1.114) 4.936 3.224 ( 4.751 -0.744 1.114) 4.936 3.347 ( -9.313 -1.976 -3.254) 10.061 3.347 ( 9.313 -1.976 3.254) 10.061 3.754 ( -1.982 1.363 -0.354) 2.431 3.754 ( 1.982 1.363 0.354) 2.431 4.019 ( -0.002 0.883 -4.468) 4.554 4.019 ( 0.002 0.883 4.468) 4.554 4.216 ( -4.455 0.077 -0.063) 4.456 4.216 ( 4.455 0.077 0.063) 4.456 4.376 ( 1.098 -1.564 -0.615) 2.008 4.376 ( -1.098 -1.564 0.615) 2.008 4.571 ( -0.158 0.349 -2.122) 2.156 4.571 ( 0.158 0.349 2.122) 2.156 4.662 ( 0.005 -1.749 -2.665) 3.187 4.662 ( -0.005 -1.749 2.665) 3.187 4.902 ( -5.709 3.927 -4.185) 8.095 4.902 ( 5.709 3.927 4.185) 8.095 5.120 ( -1.453 -5.266 -4.733) 7.228 5.120 ( 1.453 -5.266 4.733) 7.228 5.259 ( -3.272 0.904 -2.354) 4.131 5.259 ( 3.272 0.904 2.354) 4.131 5.532 ( -1.746 2.928 -0.467) 3.441 5.532 ( 1.746 2.928 0.467) 3.441 5.586 ( 1.410 -0.329 -1.508) 2.091 5.586 ( -1.410 -0.329 1.508) 2.091 5.714 ( 0.375 -3.219 -4.872) 5.851 5.714 ( -0.375 -3.219 4.872) 5.851 5.976 ( 0.527 0.780 -4.058) 4.166 5.976 ( -0.527 0.780 4.058) 4.166 6.119 ( 1.005 -1.725 -4.261) 4.706 6.119 ( -1.005 -1.725 4.261) 4.706 6.558 ( 1.386 3.158 -1.859) 3.918 6.558 ( -1.386 3.158 1.859) 3.918 6.708 ( -1.497 0.153 -3.702) 3.996 6.708 ( 1.497 0.153 3.702) 3.996 7.509 ( 1.132 0.279 -2.338) 2.612 7.509 ( -1.132 0.279 2.338) 2.612 7.657 ( 1.389 -1.545 -3.122) 3.750 7.657 ( -1.389 -1.545 3.122) 3.750 7.783 ( -0.097 1.675 -3.687) 4.051 7.783 ( 0.097 1.675 3.687) 4.051 7.861 ( -1.452 -0.085 -1.293) 1.946 7.861 ( 1.452 -0.085 1.293) 1.946 9.689 ( 0.345 3.720 -1.730) 4.118 9.689 ( -0.345 3.720 1.730) 4.118 9.862 ( 0.734 -2.971 -1.904) 3.604 9.862 ( -0.734 -2.971 1.904) 3.604 10.101 ( 0.428 3.541 -2.295) 4.241 10.101 ( -0.428 3.541 2.295) 4.241 10.275 ( 1.119 -4.065 -2.235) 4.772 10.275 ( -1.119 -4.065 2.235) 4.772 11.403 ( 0.384 -1.340 -0.358) 1.439 11.403 ( -0.384 -1.340 0.358) 1.439 11.521 ( 0.413 0.103 -0.371) 0.565 11.521 ( -0.413 0.103 0.371) 0.565 12.116 ( -0.825 3.965 -0.951) 4.160 12.116 ( 0.825 3.965 0.951) 4.160 12.286 ( 0.547 -3.982 -0.515) 4.052 12.286 ( -0.547 -3.982 0.515) 4.052 13.877 ( 0.557 14.385 -6.804) 15.923 13.877 ( -0.557 14.385 6.804) 15.923 14.121 ( -0.094 0.207 -1.275) 1.295 14.121 ( 0.094 0.207 1.275) 1.295 14.423 ( -1.247 -3.583 -3.860) 5.412 14.423 ( 1.247 -3.583 3.860) 5.412 14.838 ( 3.602 -12.208 -5.390) 13.822 14.838 ( -3.602 -12.208 5.390) 13.822 15.999 ( -0.983 2.011 -2.346) 3.242 15.999 ( 0.983 2.011 2.346) 3.242 16.155 ( 1.470 3.578 -2.965) 4.874 16.155 ( -1.470 3.578 2.965) 4.874 16.273 ( 0.362 -3.754 -1.516) 4.065 16.273 ( -0.362 -3.754 1.516) 4.065 16.449 ( -0.609 -5.872 -2.091) 6.263 16.449 ( 0.609 -5.872 2.091) 6.263 20.143 ( -0.633 5.480 -2.396) 6.014 20.143 ( 0.633 5.480 2.396) 6.014 20.367 ( -1.323 -4.159 -0.954) 4.468 20.367 ( 1.323 -4.159 0.954) 4.468 21.654 ( -4.622 10.787 -1.141) 11.791 21.654 ( 4.622 10.787 1.141) 11.791 22.060 ( -2.665 -8.526 -2.838) 9.373 22.060 ( 2.665 -8.526 2.838) 9.373 26.532 ( 0.326 21.597 -10.825) 24.160 26.532 ( -0.326 21.597 10.825) 24.160 27.549 ( -3.480 -25.528 -3.730) 26.033 27.549 ( 3.480 -25.528 3.730) 26.033 30.128 ( -2.557 1.865 -2.005) 3.746 30.128 ( 2.557 1.865 2.005) 3.746 30.186 ( -6.193 -0.674 -3.670) 7.230 30.186 ( 6.193 -0.674 3.670) 7.230 31.219 ( -0.075 -1.628 -2.537) 3.015 31.219 ( 0.075 -1.628 2.537) 3.015 31.450 ( -3.192 -3.962 0.405) 5.104 31.450 ( 3.192 -3.962 -0.405) 5.104 32.793 ( 0.072 7.476 -2.787) 7.979 32.793 ( -0.072 7.476 2.787) 7.979 33.148 ( -0.642 -3.563 -3.327) 4.917 33.148 ( 0.642 -3.563 3.327) 4.917 36.476 ( 0.045 -1.500 -1.509) 2.128 36.476 ( -0.045 -1.500 1.509) 2.128 36.795 ( 0.190 -0.330 -1.856) 1.894 36.795 ( -0.190 -0.330 1.856) 1.894 37.293 ( -0.832 4.629 -4.143) 6.268 37.293 ( 0.832 4.629 4.143) 6.268 37.589 ( -0.097 -1.636 -6.400) 6.606 37.589 ( 0.097 -1.636 6.400) 6.606 ======================= Grid point 185 (82/90) ======================= q-point: ( 0.12 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.349 17.004 -5.049) 17.789 1.808 ( -0.260 10.340 -2.160) 10.566 1.997 ( 5.343 6.768 -4.305) 9.638 2.198 ( 6.582 6.773 6.074) 11.229 2.274 ( -1.950 -2.291 4.213) 5.177 2.502 ( 10.046 -0.957 2.988) 10.524 2.612 ( -2.595 0.047 -0.474) 2.639 2.739 ( 0.087 2.859 -2.934) 4.097 2.761 ( -1.025 -6.760 -1.361) 6.972 2.925 ( 6.659 1.856 -0.177) 6.916 2.990 ( -2.241 9.480 -4.906) 10.907 3.052 ( -5.717 3.465 3.235) 7.426 3.237 ( 5.468 -3.804 -1.871) 6.919 3.250 ( 2.332 1.155 1.444) 2.976 3.364 ( 12.107 2.559 -1.471) 12.462 3.501 ( 4.582 -2.724 -3.237) 6.236 3.706 ( -1.683 -1.142 5.001) 5.399 3.809 ( 1.128 -0.139 1.539) 1.913 4.051 ( 6.979 2.862 -2.141) 7.840 4.122 ( -0.985 -1.948 3.843) 4.420 4.131 ( -0.141 3.871 1.890) 4.310 4.286 ( 3.389 0.105 -0.575) 3.439 4.341 ( -2.125 -1.566 -1.586) 3.080 4.432 ( 6.017 -1.213 -0.185) 6.141 4.522 ( -2.670 -1.105 2.259) 3.668 4.582 ( -1.282 -0.862 -0.180) 1.555 4.627 ( -0.363 -1.485 -1.184) 1.933 4.693 ( 1.154 -0.702 0.425) 1.416 4.811 ( -2.057 1.060 -1.173) 2.594 4.952 ( -6.654 -4.832 -2.871) 8.709 5.111 ( 5.596 4.117 4.600) 8.332 5.164 ( -0.876 -1.631 2.349) 2.991 5.178 ( -3.033 0.109 -0.318) 3.052 5.308 ( -0.485 0.561 1.518) 1.689 5.488 ( -1.955 0.080 -0.659) 2.065 5.505 ( -1.542 -2.649 -0.306) 3.080 5.586 ( 0.987 2.339 -1.512) 2.955 5.639 ( 3.414 -0.214 1.215) 3.630 5.751 ( 5.180 -0.962 -2.356) 5.771 5.827 ( 8.862 -3.091 0.716) 9.413 5.947 ( 0.888 2.562 -0.802) 2.827 6.015 ( 1.073 0.206 1.584) 1.924 6.112 ( 3.960 -0.164 -3.075) 5.016 6.160 ( 1.866 -2.836 1.727) 3.809 6.528 ( -1.988 6.039 0.061) 6.358 6.575 ( 2.501 1.062 -2.419) 3.638 6.653 ( -0.605 2.146 -3.363) 4.035 6.762 ( 1.051 -2.417 1.118) 2.863 7.496 ( -0.980 0.489 -0.150) 1.105 7.511 ( -0.732 -0.407 0.788) 1.150 7.616 ( -2.753 -0.816 -0.384) 2.897 7.663 ( -1.534 -1.956 0.249) 2.498 7.730 ( -0.973 2.113 -2.634) 3.514 7.767 ( -1.625 0.888 -1.196) 2.204 7.871 ( -0.435 0.286 3.448) 3.487 7.908 ( 1.135 0.543 1.905) 2.284 9.629 ( -5.876 4.116 -0.404) 7.185 9.662 ( -5.015 2.723 1.154) 5.822 9.809 ( -5.229 -3.585 -1.106) 6.436 9.824 ( -5.835 -3.523 1.542) 6.988 10.086 ( 0.765 4.095 -2.033) 4.636 10.109 ( -1.461 3.649 2.254) 4.531 10.271 ( 0.691 -3.774 -0.615) 3.885 10.292 ( 0.886 -4.131 0.298) 4.235 11.399 ( -0.513 -0.899 1.063) 1.484 11.414 ( 0.531 -1.296 0.447) 1.470 11.527 ( 1.259 0.129 -0.735) 1.463 11.535 ( 2.125 -0.009 -1.231) 2.455 12.065 ( -4.126 4.224 -0.044) 5.905 12.106 ( -2.903 3.938 0.176) 4.896 12.246 ( -4.118 -3.991 1.073) 5.834 12.277 ( -1.756 -4.304 -0.660) 4.695 13.794 ( -3.766 14.304 -1.455) 14.863 13.946 ( -0.180 15.130 4.610) 15.818 14.118 ( 0.418 0.110 0.642) 0.774 14.140 ( 0.400 -1.122 1.689) 2.067 14.345 ( -2.332 -0.859 -5.644) 6.166 14.467 ( 0.156 -7.052 1.990) 7.329 14.804 ( -3.612 -9.441 3.816) 10.805 14.860 ( 1.579 -13.908 -2.208) 14.171 15.971 ( -0.470 2.408 -0.968) 2.637 16.048 ( 1.410 2.007 3.031) 3.899 16.142 ( -0.035 4.179 -1.064) 4.313 16.178 ( 1.204 4.076 0.691) 4.306 16.251 ( -0.372 -4.287 -1.841) 4.681 16.277 ( 0.493 -3.509 -1.007) 3.684 16.410 ( -1.303 -5.898 -0.855) 6.101 16.480 ( 0.824 -7.144 0.287) 7.197 20.117 ( -0.018 6.157 -1.540) 6.347 20.181 ( 0.831 5.064 2.542) 5.727 20.336 ( -0.971 -3.795 -1.286) 4.123 20.397 ( 1.197 -4.498 0.612) 4.695 21.587 ( -2.175 11.608 -0.353) 11.815 21.738 ( 4.429 11.080 -0.711) 11.954 22.017 ( 0.862 -8.990 -1.950) 9.239 22.142 ( 4.243 -8.584 1.483) 9.689 26.427 ( -1.829 22.642 -6.574) 23.648 26.616 ( -3.893 21.333 11.031) 24.329 27.436 ( -4.637 -24.171 -2.204) 24.710 27.637 ( 3.361 -28.340 0.148) 28.539 30.034 ( -5.793 3.950 -0.026) 7.012 30.083 ( -0.468 1.031 -1.861) 2.178 30.193 ( 3.364 2.945 0.877) 4.556 30.360 ( 9.789 -4.771 -1.679) 11.018 31.214 ( 1.985 0.068 -1.990) 2.811 31.272 ( 2.959 -1.840 3.211) 4.738 31.410 ( -1.038 -2.818 0.268) 3.015 31.534 ( 7.534 -6.705 -2.628) 10.423 32.763 ( -0.761 7.709 -1.949) 7.987 32.817 ( -0.598 7.301 3.014) 7.921 33.079 ( -3.338 -2.664 -3.531) 5.541 33.165 ( -1.876 -4.588 2.172) 5.412 36.464 ( 0.274 -1.097 -1.086) 1.568 36.491 ( 0.236 -1.920 1.054) 2.202 36.767 ( -1.426 0.318 -1.839) 2.349 36.795 ( -1.881 -0.837 1.279) 2.423 37.210 ( -4.422 4.857 0.607) 6.596 37.360 ( -1.653 -1.162 2.405) 3.141 37.480 ( -1.608 5.655 -0.899) 5.948 37.702 ( 5.181 -3.474 -0.048) 6.238 ======================= Grid point 186 (83/90) ======================= q-point: ( 0.25 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 9.980 13.172 -4.206) 17.053 1.838 ( 7.612 9.609 -1.118) 12.309 2.045 ( 3.875 2.925 -2.021) 5.259 2.250 ( -4.050 -8.138 2.548) 9.440 2.350 ( 0.478 4.827 6.317) 7.964 2.548 ( -0.936 5.995 -0.141) 6.069 2.611 ( -1.450 0.896 2.431) 2.969 2.667 ( 0.832 4.842 -11.183) 12.215 2.761 ( -1.917 2.067 0.987) 2.987 2.949 ( 3.249 2.752 1.765) 4.609 3.050 ( 10.745 -2.234 -4.554) 11.883 3.157 ( 9.821 7.032 3.254) 12.510 3.266 ( 1.418 3.689 1.001) 4.077 3.341 ( 6.215 -7.371 -0.889) 9.682 3.480 ( 0.351 2.966 -1.807) 3.491 3.603 ( 14.646 2.753 1.217) 14.952 3.779 ( 1.314 -1.417 3.652) 4.132 3.843 ( 0.653 -5.780 6.855) 8.990 4.018 ( -6.890 0.448 0.175) 6.907 4.092 ( 0.319 3.819 -4.533) 5.936 4.230 ( 0.255 -2.102 0.903) 2.301 4.255 ( -0.212 4.263 -3.425) 5.472 4.355 ( -0.460 -1.415 0.422) 1.546 4.479 ( 0.908 -3.713 -2.184) 4.402 4.562 ( -0.691 1.755 1.319) 2.302 4.570 ( 4.255 -0.805 3.870) 5.808 4.699 ( 6.551 -1.911 2.524) 7.276 4.723 ( 2.796 -0.318 1.830) 3.357 4.778 ( -0.058 -3.072 -2.252) 3.809 4.844 ( 0.158 -3.953 -1.780) 4.338 5.046 ( -6.333 1.686 -3.536) 7.446 5.101 ( -5.785 -1.268 -4.323) 7.332 5.304 ( 4.727 0.311 5.740) 7.442 5.325 ( 0.063 1.513 4.717) 4.954 5.463 ( 1.025 -1.216 -1.721) 2.343 5.509 ( -0.173 -2.227 1.848) 2.899 5.605 ( 2.418 3.081 -0.285) 3.927 5.691 ( 2.201 1.329 1.065) 2.783 5.805 ( 4.978 -0.361 -2.938) 5.792 5.894 ( 2.132 -0.698 -4.971) 5.454 6.008 ( 3.681 2.050 2.801) 5.059 6.072 ( 3.586 -1.425 1.432) 4.116 6.199 ( 7.038 0.221 0.028) 7.042 6.227 ( 5.802 -1.882 0.843) 6.158 6.506 ( -1.188 6.906 0.871) 7.061 6.597 ( 2.629 0.735 -2.155) 3.478 6.614 ( 1.296 2.727 -5.682) 6.435 6.750 ( -1.712 -3.070 -1.647) 3.881 7.475 ( -1.515 0.914 0.270) 1.790 7.507 ( -0.525 -0.997 0.708) 1.331 7.569 ( -2.379 0.173 -0.276) 2.401 7.616 ( -3.446 -1.327 0.145) 3.696 7.713 ( 0.322 1.459 -0.425) 1.553 7.743 ( -0.790 -0.106 0.175) 0.816 7.876 ( -2.533 1.251 2.369) 3.687 7.922 ( -1.580 0.413 1.581) 2.273 9.504 ( -8.412 3.775 0.098) 9.221 9.555 ( -8.663 1.569 0.525) 8.819 9.686 ( -8.326 -4.535 0.011) 9.481 9.713 ( -8.355 -4.625 0.451) 9.561 10.087 ( 1.151 4.328 -1.311) 4.666 10.104 ( -1.503 4.336 2.245) 5.108 10.280 ( 1.417 -3.242 -1.341) 3.784 10.305 ( 0.119 -3.954 0.682) 4.014 11.407 ( -0.053 -0.299 1.550) 1.579 11.427 ( 0.267 -0.787 0.844) 1.185 11.540 ( 1.877 0.226 -2.130) 2.848 11.557 ( 2.407 -0.206 -2.237) 3.293 12.000 ( -4.279 4.215 1.554) 6.204 12.035 ( -4.773 4.230 -0.732) 6.419 12.188 ( -4.397 -4.379 1.965) 6.509 12.226 ( -3.028 -4.850 -0.984) 5.801 13.732 ( -3.060 14.636 0.249) 14.955 13.937 ( -5.221 16.283 1.860) 17.201 14.151 ( 0.286 3.210 3.187) 4.532 14.173 ( 2.327 -6.085 1.678) 6.728 14.258 ( -0.146 -0.352 -6.122) 6.133 14.462 ( -1.755 -8.501 0.002) 8.680 14.800 ( -3.467 -8.560 6.438) 11.258 14.848 ( 0.790 -13.868 -3.733) 14.384 15.964 ( 0.137 2.805 0.326) 2.827 16.090 ( -0.023 3.347 2.074) 3.937 16.131 ( 0.487 3.229 -1.554) 3.616 16.189 ( -1.319 3.960 1.136) 4.326 16.255 ( 2.796 -5.006 -0.679) 5.774 16.278 ( 1.730 -3.342 -2.086) 4.303 16.390 ( -0.618 -6.378 -0.238) 6.413 16.481 ( -0.400 -7.708 -0.706) 7.751 20.114 ( 0.776 6.443 -0.437) 6.505 20.209 ( -0.053 5.445 1.080) 5.551 20.318 ( 0.256 -3.630 -0.506) 3.674 20.413 ( 0.185 -4.432 0.199) 4.441 21.581 ( 0.348 12.063 1.968) 12.227 21.765 ( 1.976 11.179 -4.069) 12.060 22.057 ( 4.146 -8.463 0.942) 9.471 22.214 ( 3.639 -8.468 -0.619) 9.238 26.355 ( -0.761 23.450 -3.362) 23.702 26.601 ( -8.551 22.901 6.829) 25.381 27.382 ( -1.237 -25.271 1.717) 25.359 27.653 ( 0.225 -30.305 -2.907) 30.445 30.017 ( 1.137 4.825 4.171) 6.479 30.082 ( 1.838 0.711 -0.554) 2.047 30.246 ( 2.866 3.751 -0.910) 4.807 30.452 ( 5.036 -5.322 -4.607) 8.655 31.241 ( 2.985 2.027 -0.923) 3.724 31.368 ( 3.747 1.153 2.528) 4.665 31.418 ( 1.720 -5.767 1.346) 6.167 31.626 ( 7.558 -8.951 -4.769) 12.649 32.733 ( -1.038 7.746 -1.073) 7.888 32.829 ( -1.399 7.886 2.058) 8.269 32.986 ( -3.710 -3.051 -2.151) 5.263 33.133 ( -3.771 -4.975 0.922) 6.310 36.469 ( 1.067 -0.875 0.021) 1.380 36.508 ( 0.906 -2.097 0.837) 2.432 36.711 ( -2.897 0.696 -2.336) 3.786 36.757 ( -3.644 -1.173 0.275) 3.838 37.167 ( -2.214 3.540 1.530) 4.447 37.286 ( -6.488 -1.834 1.681) 6.949 37.529 ( 4.541 6.926 0.735) 8.314 37.750 ( 1.452 -2.775 -1.160) 3.340 ======================= Grid point 187 (84/90) ======================= q-point: ( 0.38 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 10.471 8.046 -4.025) 13.804 2.022 ( 13.075 5.632 0.722) 14.255 2.076 ( -2.401 1.243 2.807) 3.897 2.208 ( -0.022 2.181 -0.702) 2.291 2.355 ( -3.456 4.312 4.337) 7.024 2.491 ( -6.177 4.482 -3.006) 8.203 2.555 ( -3.732 0.252 -0.385) 3.761 2.607 ( -0.225 2.924 -4.382) 5.273 2.810 ( 4.085 9.526 4.160) 11.168 2.959 ( 0.421 -1.195 -3.739) 3.948 3.212 ( 7.188 -1.963 -2.184) 7.764 3.299 ( 5.990 4.354 -2.485) 7.811 3.327 ( 8.521 -0.833 0.125) 8.563 3.420 ( -0.045 -1.960 6.240) 6.541 3.544 ( 5.316 6.790 0.903) 8.670 3.784 ( -1.558 0.791 -1.498) 2.301 3.807 ( 4.485 -3.852 2.747) 6.519 3.931 ( -1.224 -2.049 5.145) 5.672 4.002 ( 5.756 -2.491 7.985) 10.154 4.021 ( -1.471 1.755 -3.392) 4.092 4.153 ( -1.910 -3.345 -4.247) 5.734 4.238 ( -4.230 -1.100 -0.531) 4.403 4.331 ( 0.647 1.238 0.834) 1.627 4.448 ( -1.931 -2.834 -2.363) 4.165 4.499 ( -6.578 5.873 -2.845) 9.266 4.676 ( 0.845 -2.803 -2.888) 4.113 4.699 ( 0.856 -2.492 -1.498) 3.031 4.807 ( -0.525 -3.237 1.574) 3.637 4.861 ( 3.633 -0.920 5.358) 6.539 4.885 ( 5.192 -2.417 -3.138) 6.530 4.970 ( 1.939 -1.228 0.174) 2.301 5.002 ( 1.873 -2.008 -3.257) 4.259 5.368 ( -0.239 0.686 0.406) 0.833 5.384 ( 1.630 1.175 5.023) 5.410 5.436 ( -2.736 1.240 -0.573) 3.058 5.525 ( -0.076 -1.419 0.090) 1.424 5.677 ( 4.450 2.733 1.931) 5.568 5.747 ( 2.630 2.993 1.976) 4.448 5.843 ( 3.510 -1.039 -4.297) 5.645 5.878 ( 0.493 1.508 -1.578) 2.238 6.075 ( 3.305 1.845 0.556) 3.826 6.138 ( 1.038 -1.225 2.364) 2.858 6.305 ( 6.677 1.193 -0.406) 6.795 6.344 ( 5.152 -0.997 1.714) 5.520 6.490 ( -2.081 5.855 0.390) 6.226 6.553 ( -0.313 3.847 -7.151) 8.126 6.636 ( 3.403 -0.306 -1.453) 3.712 6.709 ( -1.298 -2.730 -0.653) 3.093 7.461 ( -0.162 1.803 0.184) 1.819 7.499 ( -1.467 0.196 0.441) 1.545 7.536 ( -1.319 0.578 0.128) 1.445 7.567 ( -2.717 -0.186 0.241) 2.734 7.724 ( 1.516 -0.050 -0.651) 1.650 7.740 ( -1.213 -1.492 2.448) 3.113 7.845 ( -2.497 1.543 0.933) 3.080 7.891 ( -3.187 -0.013 0.475) 3.223 9.385 ( -5.810 2.700 0.587) 6.434 9.418 ( -7.069 0.978 -0.422) 7.149 9.563 ( -6.300 -5.192 0.640) 8.189 9.585 ( -6.506 -5.563 -0.341) 8.567 10.093 ( 0.172 4.631 0.411) 4.652 10.105 ( -0.255 4.720 0.506) 4.754 10.290 ( 1.724 -2.973 -1.828) 3.892 10.308 ( -0.923 -3.589 1.297) 3.927 11.428 ( 0.721 0.267 1.446) 1.638 11.440 ( 0.086 -0.062 1.250) 1.255 11.544 ( 1.230 0.031 -2.190) 2.512 11.563 ( 1.203 -0.539 -2.711) 3.015 11.955 ( -3.451 4.069 1.477) 5.536 11.963 ( -2.465 4.445 -0.480) 5.106 12.149 ( -2.688 -4.897 2.126) 5.977 12.172 ( -1.929 -5.260 -1.154) 5.720 13.704 ( -1.093 15.404 1.564) 15.522 13.833 ( -5.806 16.601 -2.421) 17.753 14.174 ( -0.808 0.765 3.780) 3.941 14.226 ( 1.646 0.434 -4.337) 4.659 14.256 ( 4.077 -5.854 2.866) 7.688 14.417 ( -2.799 -7.577 -1.291) 8.180 14.804 ( -3.593 -10.611 5.904) 12.663 14.823 ( 1.257 -12.180 -4.383) 13.006 15.984 ( 1.146 3.090 1.451) 3.601 16.076 ( -2.046 4.462 -0.669) 4.954 16.138 ( 1.798 0.873 -1.181) 2.321 16.174 ( -1.833 2.115 1.488) 3.169 16.288 ( 1.528 -4.186 -0.111) 4.457 16.309 ( 2.848 -4.787 -0.902) 5.642 16.384 ( -0.164 -5.464 0.821) 5.527 16.456 ( -1.175 -6.796 -1.641) 7.090 20.132 ( 1.305 6.285 0.559) 6.443 20.197 ( -1.172 5.551 -0.916) 5.747 20.338 ( 1.516 -3.119 1.017) 3.614 20.405 ( -0.954 -3.914 -0.483) 4.058 21.626 ( 1.005 11.901 4.222) 12.668 21.737 ( 0.693 11.181 -5.483) 12.473 22.144 ( 3.733 -7.675 2.511) 8.896 22.242 ( 1.414 -8.036 -2.313) 8.481 26.341 ( 1.871 24.144 -1.226) 24.247 26.497 ( -8.499 24.342 2.091) 25.867 27.421 ( 0.905 -27.341 5.726) 27.949 27.597 ( -1.525 -30.438 -5.554) 30.978 30.117 ( 2.821 2.528 5.051) 6.314 30.127 ( 2.668 0.646 2.772) 3.901 30.272 ( 2.467 3.972 -1.466) 4.900 30.436 ( 0.171 -3.103 -6.685) 7.372 31.291 ( 3.281 2.566 0.521) 4.198 31.387 ( -0.402 1.520 -1.310) 2.047 31.521 ( 4.203 -6.434 5.726) 9.584 31.669 ( 4.056 -9.121 -6.396) 11.855 32.715 ( -0.030 7.470 -0.196) 7.472 32.793 ( -3.435 7.615 -0.747) 8.387 32.952 ( 0.180 -3.304 1.436) 3.607 33.068 ( -4.163 -4.454 -0.484) 6.115 36.501 ( 1.846 -0.651 1.524) 2.480 36.543 ( 2.478 -2.082 0.807) 3.336 36.633 ( -3.197 0.448 -2.780) 4.260 36.687 ( -4.549 -1.662 -0.516) 4.870 37.162 ( -0.152 2.068 1.054) 2.327 37.215 ( -3.883 -0.228 1.272) 4.092 37.609 ( 3.746 4.874 1.470) 6.320 37.733 ( -1.231 -0.369 -2.004) 2.381 ======================= Grid point 188 (85/90) ======================= q-point: (-0.50 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 3.626 3.437 -4.112) 6.470 1.985 ( -3.626 3.437 4.112) 6.470 2.209 ( -3.080 3.563 -3.637) 5.950 2.209 ( 3.080 3.563 3.637) 5.950 2.365 ( 0.021 8.020 -5.272) 9.598 2.365 ( -0.021 8.020 5.272) 9.598 2.543 ( 5.604 -1.253 -10.828) 12.256 2.543 ( -5.604 -1.253 10.828) 12.256 2.909 ( 1.103 5.790 -7.534) 9.566 2.909 ( -1.103 5.790 7.534) 9.566 3.279 ( 1.574 -0.901 -3.645) 4.071 3.279 ( -1.574 -0.901 3.645) 4.071 3.465 ( 0.460 2.800 -5.919) 6.564 3.465 ( -0.460 2.800 5.919) 6.564 3.638 ( -8.798 -0.101 -1.874) 8.996 3.638 ( 8.798 -0.101 1.874) 8.996 3.905 ( -1.193 -3.431 -4.629) 5.884 3.905 ( 1.193 -3.431 4.629) 5.884 4.060 ( -4.488 -0.773 -2.674) 5.281 4.060 ( 4.488 -0.773 2.674) 5.281 4.222 ( -7.822 0.582 -6.079) 9.923 4.222 ( 7.822 0.582 6.079) 9.923 4.297 ( -6.160 -1.989 -4.003) 7.611 4.297 ( 6.160 -1.989 4.003) 7.611 4.530 ( -6.853 1.480 -2.950) 7.606 4.530 ( 6.853 1.480 2.950) 7.606 4.767 ( -3.187 -5.304 -0.931) 6.257 4.767 ( 3.187 -5.304 0.931) 6.257 4.922 ( 3.021 -0.661 -5.609) 6.406 4.922 ( -3.021 -0.661 5.609) 6.406 5.019 ( 1.149 -1.613 -3.771) 4.260 5.019 ( -1.149 -1.613 3.771) 4.260 5.374 ( -0.750 1.059 -0.780) 1.514 5.374 ( 0.750 1.059 0.780) 1.514 5.480 ( -2.520 -0.398 -3.806) 4.582 5.480 ( 2.520 -0.398 3.806) 4.582 5.763 ( -0.909 4.067 -2.155) 4.691 5.763 ( 0.909 4.067 2.155) 4.691 5.859 ( 2.051 0.375 -1.053) 2.336 5.859 ( -2.051 0.375 1.053) 2.336 6.134 ( -0.860 0.648 -0.503) 1.189 6.134 ( 0.860 0.648 0.503) 1.189 6.390 ( -2.099 0.206 -0.545) 2.178 6.390 ( 2.099 0.206 0.545) 2.178 6.481 ( 0.177 4.952 -3.826) 6.261 6.481 ( -0.177 4.952 3.826) 6.261 6.678 ( -0.169 -1.716 -1.880) 2.551 6.678 ( 0.169 -1.716 1.880) 2.551 7.474 ( -0.073 1.753 -1.265) 2.163 7.474 ( 0.073 1.753 1.265) 2.163 7.535 ( -1.130 0.887 0.017) 1.436 7.535 ( 1.130 0.887 -0.017) 1.437 7.741 ( 1.952 -1.746 -3.006) 3.986 7.741 ( -1.952 -1.746 3.006) 3.986 7.843 ( -1.383 0.487 -0.949) 1.747 7.843 ( 1.383 0.487 0.949) 1.747 9.346 ( 0.326 1.453 -1.585) 2.175 9.346 ( -0.326 1.453 1.585) 2.175 9.518 ( -0.417 -5.692 -0.709) 5.751 9.518 ( 0.417 -5.692 0.709) 5.751 10.101 ( 1.341 4.841 -2.531) 5.625 10.101 ( -1.341 4.841 2.531) 5.625 10.301 ( 1.655 -3.193 -1.816) 4.029 10.301 ( -1.655 -3.193 1.816) 4.029 11.448 ( 0.793 0.535 -0.906) 1.318 11.448 ( -0.793 0.535 0.906) 1.318 11.548 ( -0.276 -0.598 -0.966) 1.169 11.548 ( 0.276 -0.598 0.966) 1.169 11.937 ( 0.898 4.244 -1.589) 4.620 11.937 ( -0.898 4.244 1.589) 4.620 12.144 ( 0.679 -5.223 -2.130) 5.682 12.144 ( -0.679 -5.223 2.130) 5.682 13.735 ( -0.452 16.190 -4.523) 16.816 13.735 ( 0.452 16.190 4.523) 16.816 14.203 ( 0.985 0.109 -4.623) 4.728 14.203 ( -0.985 0.109 4.623) 4.728 14.347 ( -1.672 -6.179 -3.923) 7.508 14.347 ( 1.672 -6.179 3.923) 7.508 14.806 ( 2.698 -11.544 -5.168) 12.933 14.806 ( -2.698 -11.544 5.168) 12.933 16.027 ( -2.065 3.556 -1.745) 4.467 16.027 ( 2.065 3.556 1.745) 4.467 16.157 ( 2.004 1.145 -1.445) 2.724 16.157 ( -2.004 1.145 1.445) 2.724 16.313 ( 1.054 -5.155 -2.682) 5.906 16.313 ( -1.054 -5.155 2.682) 5.906 16.414 ( -1.363 -5.275 -2.132) 5.850 16.414 ( 1.363 -5.275 2.132) 5.850 20.164 ( -1.374 5.897 -1.171) 6.168 20.164 ( 1.374 5.897 1.171) 6.168 20.376 ( -1.516 -3.305 -1.108) 3.802 20.376 ( 1.516 -3.305 1.108) 3.802 21.686 ( -0.284 11.573 -5.436) 12.789 21.686 ( 0.284 11.573 5.436) 12.789 22.215 ( -1.308 -7.668 -3.004) 8.339 22.215 ( 1.308 -7.668 3.004) 8.339 26.392 ( 0.133 24.632 -3.375) 24.863 26.392 ( -0.133 24.632 3.375) 24.863 27.507 ( -1.483 -29.284 -6.908) 30.125 27.507 ( 1.483 -29.284 6.908) 30.125 30.169 ( 1.302 1.423 -1.054) 2.198 30.169 ( -1.302 1.423 1.054) 2.198 30.342 ( -1.622 0.592 -6.978) 7.188 30.342 ( 1.622 0.592 6.978) 7.188 31.350 ( -2.135 1.988 -1.580) 3.318 31.350 ( 2.135 1.988 1.580) 3.318 31.629 ( -0.916 -7.609 -6.672) 10.161 31.629 ( 0.916 -7.609 6.672) 10.161 32.735 ( -2.057 7.019 -0.726) 7.350 32.735 ( 2.057 7.019 0.726) 7.350 32.997 ( -2.907 -3.470 -1.668) 4.824 32.997 ( 2.907 -3.470 1.668) 4.824 36.557 ( -0.249 -0.158 -4.520) 4.530 36.557 ( 0.249 -0.158 4.520) 4.530 36.607 ( 0.269 -2.015 -4.317) 4.772 36.607 ( -0.269 -2.015 4.317) 4.772 37.178 ( -0.741 0.901 -0.314) 1.208 37.178 ( 0.741 0.901 0.314) 1.208 37.679 ( -0.118 2.446 -4.234) 4.891 37.679 ( 0.118 2.446 4.234) 4.891 ======================= Grid point 193 (86/90) ======================= q-point: ( 0.00 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.000 0.000 0.000) 0.000 1.990 ( -0.000 0.000 0.000) 0.000 2.046 ( 0.000 -0.000 -0.000) 0.000 2.046 ( -0.000 0.000 0.000) 0.000 2.359 ( -0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 -0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.726 ( -0.000 -0.000 -0.000) 0.000 2.726 ( -0.000 0.000 -0.000) 0.000 3.151 ( 0.000 0.000 -0.000) 0.000 3.151 ( -0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 -0.000) 0.000 3.225 ( -0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 -0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 4.009 ( -0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.242 ( -0.000 0.000 0.000) 0.000 4.242 ( -0.000 0.000 0.000) 0.000 4.345 ( -0.000 0.000 -0.000) 0.000 4.345 ( 0.000 0.000 -0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.578 ( -0.000 0.000 0.000) 0.000 4.656 ( -0.000 0.000 0.000) 0.000 4.656 ( -0.000 0.000 0.000) 0.000 4.946 ( -0.000 0.000 -0.000) 0.000 4.946 ( -0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.269 ( -0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.566 ( -0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.612 ( -0.000 0.000 -0.000) 0.000 5.612 ( -0.000 0.000 0.000) 0.000 5.632 ( 0.000 -0.000 -0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 -0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 -0.000) 0.000 6.091 ( -0.000 0.000 0.000) 0.000 6.580 ( -0.000 0.000 0.000) 0.000 6.580 ( -0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 -0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.519 ( -0.000 0.000 0.000) 0.000 7.624 ( -0.000 0.000 -0.000) 0.000 7.624 ( -0.000 0.000 0.000) 0.000 7.811 ( -0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.858 ( -0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 9.762 ( -0.000 -0.000 -0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.797 ( -0.000 -0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 -0.000 -0.000) 0.000 10.159 ( -0.000 0.000 0.000) 0.000 10.213 ( -0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 -0.000) 0.000 11.388 ( -0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 12.191 ( 0.000 0.000 0.000) 0.000 12.191 ( 0.000 0.000 -0.000) 0.000 12.211 ( -0.000 -0.000 0.000) 0.000 12.211 ( -0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.112 ( -0.000 0.000 0.000) 0.000 14.112 ( -0.000 0.000 -0.000) 0.000 14.412 ( -0.000 0.000 -0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 14.660 ( -0.000 0.000 0.000) 0.000 14.660 ( 0.000 0.000 0.000) 0.000 16.034 ( 0.000 0.000 0.000) 0.000 16.034 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.272 ( -0.000 0.000 0.000) 0.000 16.272 ( 0.000 0.000 0.000) 0.000 16.359 ( -0.000 0.000 0.000) 0.000 16.359 ( -0.000 0.000 0.000) 0.000 20.221 ( -0.000 0.000 -0.000) 0.000 20.221 ( 0.000 0.000 0.000) 0.000 20.303 ( -0.000 0.000 -0.000) 0.000 20.303 ( 0.000 0.000 0.000) 0.000 21.847 ( -0.000 0.000 0.000) 0.000 21.847 ( 0.000 0.000 -0.000) 0.000 21.890 ( 0.000 -0.000 0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 26.891 ( 0.000 -0.000 0.000) 0.000 26.891 ( 0.000 0.000 0.000) 0.000 27.148 ( 0.000 0.000 -0.000) 0.000 27.148 ( -0.000 0.000 0.000) 0.000 30.160 ( -0.000 0.000 -0.000) 0.000 30.160 ( -0.000 0.000 0.000) 0.000 30.167 ( 0.000 0.000 -0.000) 0.000 30.167 ( 0.000 -0.000 0.000) 0.000 31.199 ( 0.000 0.000 0.000) 0.000 31.199 ( 0.000 0.000 0.000) 0.000 31.412 ( -0.000 0.000 0.000) 0.000 31.412 ( 0.000 0.000 0.000) 0.000 32.889 ( -0.000 0.000 0.000) 0.000 32.889 ( -0.000 0.000 0.000) 0.000 33.092 ( 0.000 0.000 -0.000) 0.000 33.092 ( 0.000 0.000 0.000) 0.000 36.460 ( 0.000 0.000 -0.000) 0.000 36.460 ( -0.000 0.000 0.000) 0.000 36.792 ( -0.000 0.000 -0.000) 0.000 36.792 ( 0.000 0.000 0.000) 0.000 37.347 ( -0.000 0.000 -0.000) 0.000 37.347 ( 0.000 0.000 -0.000) 0.000 37.566 ( -0.000 0.000 0.000) 0.000 37.566 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 197 (87/90) ======================= q-point: ( 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -1.354 -3.678 -1.785) 4.306 1.944 ( -1.354 3.678 -1.785) 4.306 2.047 ( 0.801 -4.990 -1.452) 5.258 2.047 ( 0.801 4.990 -1.452) 5.258 2.452 ( 3.794 -7.375 3.507) 9.004 2.452 ( 3.794 7.375 3.507) 9.004 2.622 ( 1.991 -4.798 -2.874) 5.937 2.622 ( 1.991 4.798 -2.874) 5.937 2.860 ( 7.864 -7.118 2.228) 10.839 2.860 ( 7.864 7.118 2.228) 10.839 3.075 ( -6.312 -1.281 1.440) 6.600 3.075 ( -6.312 1.281 1.440) 6.600 3.252 ( 3.580 -3.160 -5.136) 7.013 3.252 ( 3.580 3.160 -5.136) 7.013 3.411 ( 9.779 -4.483 1.470) 10.858 3.411 ( 9.779 4.483 1.470) 10.858 3.765 ( -2.331 -4.208 0.975) 4.909 3.765 ( -2.331 4.208 0.975) 4.909 4.082 ( 3.442 -1.766 2.733) 4.736 4.082 ( 3.442 1.766 2.733) 4.736 4.244 ( 1.838 -4.601 -1.066) 5.068 4.244 ( 1.838 4.601 -1.066) 5.068 4.360 ( 1.796 -3.752 1.322) 4.365 4.360 ( 1.796 3.752 1.322) 4.365 4.561 ( -2.077 -2.040 -0.075) 2.912 4.561 ( -2.077 2.040 -0.075) 2.912 4.660 ( 1.829 -3.146 -2.031) 4.168 4.660 ( 1.829 3.146 -2.031) 4.168 4.839 ( -6.389 -3.252 -2.173) 7.491 4.839 ( -6.389 3.252 -2.173) 7.491 5.137 ( 1.832 -0.140 5.065) 5.388 5.137 ( 1.832 0.140 5.065) 5.388 5.273 ( -0.195 -4.636 0.253) 4.647 5.273 ( -0.195 4.636 0.253) 4.647 5.476 ( -3.898 -0.471 -1.478) 4.195 5.476 ( -3.898 0.471 -1.478) 4.195 5.622 ( 3.250 -1.537 -0.360) 3.614 5.622 ( 3.250 1.537 -0.360) 3.614 5.761 ( 8.456 -2.359 -1.593) 8.923 5.761 ( 8.456 2.359 -1.593) 8.923 6.005 ( 0.332 -2.041 1.285) 2.434 6.005 ( 0.332 2.041 1.285) 2.434 6.115 ( 3.424 -1.174 -0.539) 3.660 6.115 ( 3.424 1.174 -0.539) 3.660 6.588 ( 1.278 -0.394 -0.679) 1.500 6.588 ( 1.278 0.394 -0.679) 1.500 6.707 ( -0.993 -3.203 -1.054) 3.515 6.707 ( -0.993 3.203 -1.054) 3.515 7.507 ( -1.116 -0.383 -0.123) 1.186 7.507 ( -1.116 0.383 -0.123) 1.186 7.616 ( -1.434 -1.491 0.484) 2.125 7.616 ( -1.434 1.491 0.484) 2.125 7.766 ( -1.297 -0.983 -2.726) 3.174 7.766 ( -1.297 0.983 -2.726) 3.174 7.896 ( 0.233 -1.409 3.356) 3.647 7.896 ( 0.233 1.409 3.356) 3.647 9.717 ( -5.368 -2.496 -0.119) 5.921 9.717 ( -5.368 2.496 -0.119) 5.921 9.744 ( -6.518 -2.258 0.603) 6.924 9.744 ( -6.518 2.258 0.603) 6.924 10.155 ( 0.308 -1.175 -0.942) 1.537 10.155 ( 0.308 1.175 -0.942) 1.537 10.224 ( 0.530 -1.097 0.944) 1.541 10.224 ( 0.530 1.097 0.944) 1.541 11.395 ( 0.248 -0.474 0.811) 0.972 11.395 ( 0.248 0.474 0.811) 0.972 11.532 ( 1.754 -0.240 -1.119) 2.094 11.532 ( 1.754 0.240 -1.119) 2.094 12.155 ( -4.121 -4.051 0.805) 5.835 12.155 ( -4.121 4.051 0.805) 5.835 12.191 ( -2.440 -3.621 -0.503) 4.395 12.191 ( -2.440 3.621 -0.503) 4.395 14.027 ( -1.820 -7.256 -0.896) 7.534 14.027 ( -1.820 7.256 -0.896) 7.534 14.155 ( 2.204 -2.501 1.728) 3.755 14.155 ( 2.204 2.501 1.728) 3.755 14.371 ( -4.010 -2.355 -0.836) 4.725 14.371 ( -4.010 2.355 -0.836) 4.725 14.668 ( -0.212 -0.999 1.600) 1.898 14.668 ( -0.212 0.999 1.600) 1.898 16.041 ( 0.287 -3.216 0.867) 3.343 16.041 ( 0.287 3.216 0.867) 3.343 16.181 ( 1.109 -0.921 0.136) 1.448 16.181 ( 1.109 0.921 0.136) 1.448 16.274 ( 0.404 -2.525 -0.484) 2.603 16.274 ( 0.404 2.525 -0.484) 2.603 16.341 ( -1.052 -4.457 -1.342) 4.772 16.341 ( -1.052 4.457 -1.342) 4.772 20.224 ( 0.456 -3.420 -0.227) 3.458 20.224 ( 0.456 3.420 -0.227) 3.458 20.308 ( 0.406 -3.421 0.187) 3.450 20.308 ( 0.406 3.421 0.187) 3.450 21.815 ( -0.875 -10.366 -1.090) 10.459 21.815 ( -0.875 10.366 -1.090) 10.459 21.953 ( 4.776 -9.660 0.504) 10.788 21.953 ( 4.776 9.660 0.504) 10.788 26.877 ( -1.053 -15.881 -0.727) 15.932 26.877 ( -1.053 15.881 -0.727) 15.932 27.136 ( -2.626 -15.592 1.779) 15.911 27.136 ( -2.626 15.592 1.779) 15.911 30.084 ( -2.128 -1.096 -1.299) 2.724 30.084 ( -2.128 1.096 -1.299) 2.724 30.266 ( 5.606 -4.087 0.325) 6.945 30.266 ( 5.606 4.087 0.325) 6.945 31.229 ( 3.012 -1.609 0.684) 3.483 31.229 ( 3.012 1.609 0.684) 3.483 31.428 ( 2.597 -3.514 -1.169) 4.523 31.428 ( 2.597 3.514 -1.169) 4.523 32.884 ( -0.691 -2.562 0.120) 2.656 32.884 ( -0.691 2.562 0.120) 2.656 33.068 ( -2.612 -3.382 -0.292) 4.283 33.068 ( -2.612 3.382 -0.292) 4.283 36.461 ( 0.367 -0.762 -0.200) 0.869 36.461 ( 0.367 0.762 -0.200) 0.869 36.778 ( -1.799 -0.734 0.115) 1.946 36.778 ( -1.799 0.734 0.115) 1.946 37.301 ( -4.915 -3.801 0.875) 6.275 37.301 ( -4.915 3.801 0.875) 6.275 37.605 ( 3.857 -5.621 -0.242) 6.821 37.605 ( 3.857 5.621 -0.242) 6.821 ======================= Grid point 199 (88/90) ======================= q-point: ( 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 3.215 -4.641 -1.756) 5.913 1.944 ( 3.215 4.641 -1.756) 5.913 2.069 ( 4.055 -4.124 -0.936) 5.859 2.069 ( 4.055 4.124 -0.936) 5.859 2.485 ( -1.420 -6.712 3.606) 7.751 2.485 ( -1.420 6.713 3.606) 7.751 2.705 ( 2.415 -4.384 1.665) 5.275 2.705 ( 2.415 4.384 1.665) 5.275 2.869 ( 1.156 -10.022 -10.125) 14.293 2.869 ( 1.156 10.022 -10.125) 14.293 3.132 ( 6.888 -8.001 6.479) 12.387 3.132 ( 6.888 8.001 6.479) 12.387 3.278 ( 4.993 -1.772 -3.227) 6.203 3.278 ( 4.993 1.772 -3.227) 6.203 3.577 ( 6.641 -5.028 3.893) 9.194 3.577 ( 6.641 5.028 3.893) 9.194 3.776 ( 1.379 -1.697 3.810) 4.393 3.776 ( 1.379 1.697 3.810) 4.393 4.061 ( -4.117 -3.496 -2.103) 5.796 4.061 ( -4.117 3.496 -2.103) 5.796 4.299 ( -2.199 -4.332 -1.289) 5.027 4.299 ( -2.199 4.332 -1.289) 5.027 4.364 ( 1.052 -5.869 -0.139) 5.964 4.364 ( 1.052 5.869 -0.139) 5.964 4.585 ( 4.876 -0.674 0.231) 4.928 4.585 ( 4.876 0.674 0.231) 4.928 4.695 ( 4.081 -2.097 -0.023) 4.588 4.695 ( 4.081 2.097 -0.023) 4.588 4.766 ( -0.199 -3.145 1.003) 3.308 4.766 ( -0.199 3.145 1.003) 3.308 5.076 ( -7.594 -1.279 -4.488) 8.913 5.076 ( -7.594 1.279 -4.488) 8.913 5.330 ( 2.322 -1.248 5.465) 6.068 5.330 ( 2.322 1.248 5.465) 6.068 5.466 ( 1.818 -1.433 0.122) 2.318 5.466 ( 1.818 1.433 0.122) 2.318 5.666 ( 2.552 -2.831 0.128) 3.814 5.666 ( 2.552 2.831 0.128) 3.814 5.843 ( 5.734 -3.253 -5.100) 8.335 5.843 ( 5.734 3.253 -5.100) 8.335 6.047 ( 1.583 -1.558 3.462) 4.114 6.047 ( 1.583 1.558 3.462) 4.114 6.203 ( 7.490 -0.667 -0.174) 7.521 6.203 ( 7.490 0.667 -0.174) 7.521 6.606 ( 1.979 -0.689 -1.279) 2.455 6.606 ( 1.979 0.689 -1.278) 2.455 6.667 ( -1.859 -4.391 -2.228) 5.263 6.667 ( -1.859 4.391 -2.228) 5.263 7.491 ( -0.762 -0.684 0.387) 1.095 7.491 ( -0.762 0.684 0.387) 1.095 7.586 ( -2.356 -1.345 0.099) 2.715 7.586 ( -2.356 1.345 0.099) 2.715 7.735 ( -0.615 -0.729 -0.762) 1.220 7.735 ( -0.615 0.729 -0.762) 1.220 7.910 ( -2.135 -1.477 2.262) 3.443 7.910 ( -2.135 1.477 2.262) 3.443 9.593 ( -8.680 -4.403 -0.364) 9.739 9.593 ( -8.680 4.403 -0.364) 9.739 9.616 ( -9.452 -4.196 0.997) 10.390 9.616 ( -9.452 4.196 0.997) 10.390 10.155 ( 0.782 -0.935 -0.774) 1.444 10.155 ( 0.782 0.935 -0.774) 1.444 10.241 ( 0.285 -0.996 0.960) 1.412 10.241 ( 0.285 0.996 0.960) 1.412 11.411 ( 0.411 -0.630 1.377) 1.569 11.411 ( 0.411 0.630 1.377) 1.569 11.549 ( 2.279 -0.511 -2.496) 3.418 11.549 ( 2.279 0.511 -2.496) 3.418 12.093 ( -4.703 -4.392 1.833) 6.691 12.093 ( -4.703 4.392 1.833) 6.691 12.128 ( -3.803 -4.332 -1.011) 5.852 12.128 ( -3.803 4.332 -1.011) 5.852 14.002 ( -0.662 -10.196 -0.068) 10.218 14.002 ( -0.662 10.196 -0.068) 10.218 14.197 ( 1.089 -4.579 0.578) 4.742 14.197 ( 1.089 4.579 0.578) 4.742 14.286 ( -4.883 -7.693 0.184) 9.113 14.286 ( -4.883 7.693 0.184) 9.113 14.675 ( -0.815 -0.602 1.232) 1.595 14.675 ( -0.815 0.602 1.232) 1.595 16.057 ( 0.281 -5.121 1.367) 5.308 16.057 ( 0.281 5.121 1.367) 5.308 16.200 ( 0.705 -2.584 -0.211) 2.686 16.200 ( 0.705 2.584 -0.211) 2.686 16.264 ( -0.698 -5.124 -1.299) 5.332 16.264 ( -0.698 5.124 -1.299) 5.332 16.323 ( 0.758 -6.819 -0.858) 6.915 16.323 ( 0.758 6.819 -0.858) 6.915 20.231 ( 0.832 -4.844 -0.390) 4.931 20.231 ( 0.832 4.844 -0.390) 4.931 20.317 ( 0.243 -4.903 0.367) 4.923 20.317 ( 0.243 4.903 0.367) 4.923 21.809 ( 0.800 -9.115 -0.229) 9.153 21.809 ( 0.800 9.115 -0.229) 9.153 22.032 ( 4.553 -8.317 -0.524) 9.496 22.032 ( 4.553 8.317 -0.524) 9.496 26.856 ( -0.595 -24.136 -0.220) 24.144 26.856 ( -0.595 24.136 -0.220) 24.144 27.092 ( -4.646 -23.838 1.387) 24.326 27.092 ( -4.646 23.838 1.387) 24.326 30.078 ( 1.424 -1.385 1.068) 2.256 30.078 ( 1.424 1.385 1.068) 2.256 30.339 ( 3.908 -5.157 -1.803) 6.717 30.339 ( 3.908 5.157 -1.803) 6.717 31.299 ( 3.969 -3.744 1.235) 5.594 31.299 ( 3.969 3.744 1.235) 5.594 31.468 ( 3.932 -6.206 -2.086) 7.637 31.468 ( 3.932 6.206 -2.086) 7.637 32.869 ( -1.144 -5.047 0.004) 5.175 32.869 ( -1.144 5.047 0.004) 5.175 33.010 ( -3.831 -6.375 -0.168) 7.439 33.010 ( -3.831 6.375 -0.168) 7.439 36.473 ( 1.204 -1.115 0.165) 1.649 36.473 ( 1.204 1.115 0.165) 1.649 36.732 ( -3.660 -1.209 -0.496) 3.886 36.732 ( -3.660 1.209 -0.496) 3.886 37.235 ( -4.064 -2.937 1.341) 5.191 37.235 ( -4.064 2.937 1.341) 5.191 37.661 ( 3.034 -5.518 -0.370) 6.307 37.661 ( 3.034 5.518 -0.370) 6.307 ======================= Grid point 201 (89/90) ======================= q-point: ( 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 4.154 -5.614 -1.256) 7.096 1.996 ( 4.154 5.614 -1.256) 7.096 2.161 ( 6.627 -4.781 0.590) 8.193 2.161 ( 6.627 4.781 0.590) 8.193 2.497 ( -1.558 -6.098 2.592) 6.807 2.497 ( -1.558 6.098 2.592) 6.807 2.595 ( -8.820 -4.436 -2.661) 10.225 2.595 ( -8.820 4.436 -2.661) 10.225 2.926 ( 9.377 -2.538 -4.097) 10.543 2.926 ( 9.377 2.538 -4.097) 10.543 3.240 ( 0.493 -5.493 1.574) 5.735 3.240 ( 0.493 5.493 1.574) 5.735 3.380 ( 8.138 -2.697 1.943) 8.790 3.380 ( 8.138 2.697 1.943) 8.790 3.697 ( 2.804 -7.039 2.180) 7.884 3.697 ( 2.804 7.039 2.180) 7.884 3.837 ( -2.283 -4.452 3.209) 5.944 3.837 ( -2.283 4.452 3.209) 5.944 4.005 ( 1.976 -1.779 1.975) 3.312 4.005 ( 1.976 1.779 1.975) 3.312 4.183 ( -3.409 -3.778 -3.457) 6.152 4.183 ( -3.409 3.778 -3.457) 6.152 4.382 ( -1.945 -3.232 -1.384) 4.018 4.382 ( -1.945 3.232 -1.384) 4.018 4.602 ( -0.143 -3.854 -1.618) 4.182 4.602 ( -0.143 3.854 -1.618) 4.182 4.728 ( -1.819 -3.934 -2.635) 5.073 4.728 ( -1.819 3.934 -2.635) 5.073 4.857 ( 3.790 -0.724 5.142) 6.428 4.857 ( 3.790 0.724 5.142) 6.428 4.965 ( 2.606 -1.305 -3.390) 4.470 4.965 ( 2.606 1.305 -3.390) 4.470 5.385 ( 0.573 -0.892 0.869) 1.371 5.385 ( 0.573 0.892 0.869) 1.371 5.484 ( -0.785 -2.479 0.854) 2.737 5.484 ( -0.785 2.479 0.854) 2.737 5.735 ( 4.883 -2.837 1.816) 5.932 5.735 ( 4.883 2.837 1.816) 5.932 5.867 ( 2.191 -2.206 -3.018) 4.333 5.867 ( 2.191 2.206 -3.018) 4.333 6.110 ( 2.422 -1.496 1.852) 3.396 6.110 ( 2.422 1.496 1.852) 3.396 6.324 ( 6.184 -0.928 0.443) 6.269 6.324 ( 6.184 0.928 0.443) 6.269 6.595 ( -1.038 -1.288 -4.039) 4.364 6.595 ( -1.038 1.288 -4.039) 4.364 6.636 ( 0.409 -2.571 0.126) 2.606 6.636 ( 0.409 2.571 0.126) 2.606 7.491 ( -0.199 -0.988 0.882) 1.339 7.491 ( -0.199 0.988 0.882) 1.339 7.553 ( -1.206 -0.919 -0.342) 1.554 7.553 ( -1.206 0.919 -0.342) 1.554 7.724 ( -0.689 -0.228 0.671) 0.988 7.724 ( -0.689 0.228 0.671) 0.988 7.877 ( -3.106 -1.270 0.673) 3.423 7.877 ( -3.106 1.270 0.673) 3.423 9.459 ( -6.398 -2.592 -0.334) 6.911 9.459 ( -6.398 2.592 -0.334) 6.911 9.479 ( -7.420 -2.786 0.753) 7.961 9.479 ( -7.420 2.786 0.753) 7.961 10.164 ( 0.761 -0.751 -0.215) 1.091 10.164 ( 0.761 0.751 -0.215) 1.091 10.250 ( -0.082 -0.741 0.448) 0.870 10.250 ( -0.082 0.741 0.448) 0.870 11.435 ( 0.635 -0.384 1.696) 1.851 11.435 ( 0.635 0.384 1.696) 1.851 11.551 ( 1.227 -0.559 -2.939) 3.234 11.551 ( 1.227 0.559 -2.939) 3.234 12.040 ( -3.376 -2.368 0.947) 4.231 12.040 ( -3.376 2.368 0.947) 4.231 12.071 ( -2.065 -2.697 -0.056) 3.397 12.071 ( -2.065 2.697 -0.056) 3.397 13.998 ( -0.196 -10.161 0.417) 10.171 13.998 ( -0.196 10.161 0.417) 10.171 14.167 ( -2.329 -7.101 -2.209) 7.793 14.167 ( -2.329 7.101 -2.209) 7.793 14.267 ( -0.274 -4.135 2.736) 4.966 14.267 ( -0.274 4.135 2.736) 4.966 14.667 ( -0.870 -0.966 0.178) 1.312 14.667 ( -0.870 0.966 0.178) 1.312 16.082 ( 0.937 -5.311 1.868) 5.708 16.082 ( 0.937 5.311 1.868) 5.708 16.180 ( -1.741 -4.087 -1.790) 4.790 16.180 ( -1.741 4.087 -1.790) 4.790 16.252 ( 0.474 -2.477 -0.506) 2.572 16.252 ( 0.474 2.477 -0.506) 2.572 16.337 ( 1.084 -3.151 -0.148) 3.336 16.337 ( 1.084 3.151 -0.148) 3.336 20.242 ( 0.865 -3.784 -0.234) 3.889 20.242 ( 0.865 3.784 -0.234) 3.889 20.320 ( -0.197 -3.868 0.230) 3.880 20.320 ( -0.197 3.868 0.230) 3.880 21.827 ( 0.989 -5.463 0.303) 5.560 21.827 ( 0.989 5.463 0.303) 5.560 22.085 ( 2.665 -5.031 -0.792) 5.748 22.085 ( 2.665 5.031 -0.792) 5.748 26.860 ( 0.916 -24.657 0.569) 24.680 26.860 ( 0.916 24.657 0.569) 24.680 27.020 ( -4.596 -24.505 0.062) 24.932 27.020 ( -4.596 24.505 0.062) 24.932 30.138 ( 2.670 -0.081 2.932) 3.966 30.138 ( 2.670 0.081 2.932) 3.966 30.357 ( 1.331 -4.136 -3.047) 5.306 30.357 ( 1.331 4.136 -3.047) 5.306 31.368 ( 2.519 -4.192 1.175) 5.030 31.368 ( 2.519 4.192 1.175) 5.030 31.507 ( 3.076 -5.771 -1.907) 6.812 31.507 ( 3.076 5.771 -1.907) 6.812 32.849 ( -1.091 -5.066 -0.191) 5.186 32.849 ( -1.091 5.066 -0.191) 5.186 32.953 ( -2.676 -6.130 0.148) 6.690 32.953 ( -2.676 6.130 0.148) 6.690 36.508 ( 2.496 -1.176 0.870) 2.893 36.508 ( 2.496 1.176 0.870) 2.893 36.655 ( -4.460 -1.417 -1.216) 4.835 36.655 ( -4.460 1.417 -1.216) 4.835 37.198 ( -1.909 -1.351 1.027) 2.554 37.198 ( -1.909 1.351 1.027) 2.554 37.694 ( 1.440 -3.170 -0.316) 3.496 37.694 ( 1.440 3.170 -0.316) 3.496 ======================= Grid point 203 (90/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 -0.000) 0.000 2.243 ( -0.000 0.000 -0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 -0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 -0.000) 0.000 2.524 ( -0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 -0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.239 ( -0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 -0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.832 ( -0.000 -0.000 -0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 -0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.243 ( -0.000 0.000 -0.000) 0.000 4.243 ( -0.000 0.000 -0.000) 0.000 4.248 ( -0.000 0.000 0.000) 0.000 4.248 ( 0.000 -0.000 0.000) 0.001 4.592 ( 0.000 0.000 -0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.680 ( -0.000 -0.000 -0.000) 0.000 4.680 ( 0.000 0.000 -0.000) 0.000 4.921 ( 0.000 0.000 -0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 -0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 -0.000) 0.000 5.390 ( 0.000 0.000 -0.000) 0.000 5.473 ( 0.000 0.000 -0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.824 ( -0.000 0.000 -0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 -0.000) 0.000 5.844 ( 0.000 -0.000 0.000) 0.000 6.144 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.385 ( -0.000 0.000 -0.000) 0.000 6.385 ( 0.000 0.000 -0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 -0.000) 0.000 6.641 ( 0.000 0.000 -0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 -0.000) 0.000 7.494 ( 0.000 0.000 -0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 -0.000) 0.000 7.724 ( 0.000 0.000 -0.000) 0.000 7.848 ( 0.000 0.000 -0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 -0.000 0.000) 0.000 9.402 ( -0.000 0.000 0.000) 0.000 9.417 ( 0.000 -0.000 -0.000) 0.000 9.417 ( 0.000 0.000 -0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 -0.000) 0.000 10.250 ( 0.000 0.000 -0.000) 0.000 11.454 ( 0.000 0.000 -0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 -0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 12.014 ( -0.000 -0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.055 ( 0.000 -0.000 -0.000) 0.000 12.055 ( 0.000 0.000 -0.000) 0.000 13.999 ( 0.000 0.000 -0.000) 0.000 13.999 ( 0.000 0.000 -0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 -0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 14.659 ( 0.000 -0.000 -0.000) 0.000 14.659 ( 0.000 0.000 0.000) 0.000 16.118 ( -0.000 0.000 -0.000) 0.000 16.118 ( 0.000 0.000 0.000) 0.000 16.136 ( -0.000 -0.000 -0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 -0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 -0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 20.250 ( 0.000 0.000 -0.000) 0.000 20.250 ( 0.000 0.000 0.000) 0.000 20.318 ( 0.000 0.000 0.000) 0.000 20.318 ( 0.000 0.000 -0.000) 0.000 21.838 ( 0.000 0.000 -0.000) 0.000 21.838 ( 0.000 0.000 -0.000) 0.000 22.103 ( 0.000 -0.000 -0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 26.880 ( 0.000 -0.000 -0.000) 0.000 26.880 ( 0.000 -0.000 0.000) 0.000 26.971 ( 0.000 0.000 0.000) 0.000 26.971 ( -0.000 0.000 -0.000) 0.000 30.185 ( 0.000 0.000 -0.000) 0.000 30.185 ( 0.000 0.000 -0.000) 0.000 30.344 ( 0.000 0.000 0.000) 0.000 30.344 ( 0.000 0.000 0.000) 0.000 31.395 ( 0.000 0.000 -0.000) 0.000 31.395 ( 0.000 0.000 0.000) 0.000 31.524 ( 0.000 -0.000 -0.000) 0.000 31.524 ( 0.000 0.000 0.000) 0.000 32.837 ( 0.000 -0.000 0.000) 0.000 32.837 ( 0.000 0.000 0.000) 0.000 32.932 ( 0.000 0.000 -0.000) 0.000 32.932 ( 0.000 0.000 0.000) 0.000 36.566 ( 0.000 0.000 -0.000) 0.000 36.566 ( 0.000 0.000 0.000) 0.000 36.577 ( -0.000 -0.000 -0.000) 0.000 36.577 ( -0.000 -0.000 0.000) 0.000 37.188 ( 0.000 0.000 -0.000) 0.000 37.188 ( 0.000 0.000 0.000) 0.000 37.704 ( 0.000 0.000 0.000) 0.000 37.704 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/30720 10.0 99.978 119.719 88.318 0.000 -12.997 0.000 3/30720 20.0 19.847 27.215 16.053 0.000 -1.911 0.000 3/30720 30.0 9.032 11.622 7.063 0.000 -0.729 0.000 3/30720 40.0 5.419 6.513 4.121 0.000 -0.393 0.000 3/30720 50.0 3.760 4.300 2.801 0.000 -0.251 0.000 3/30720 60.0 2.852 3.149 2.093 0.000 -0.177 0.000 3/30720 70.0 2.292 2.470 1.665 0.000 -0.134 0.000 3/30720 80.0 1.917 2.033 1.383 0.000 -0.106 0.000 3/30720 90.0 1.650 1.734 1.184 0.000 -0.088 0.000 3/30720 100.0 1.451 1.520 1.038 0.000 -0.074 0.000 3/30720 110.0 1.297 1.362 0.926 0.000 -0.065 0.000 3/30720 120.0 1.175 1.242 0.837 0.000 -0.057 0.000 3/30720 130.0 1.075 1.148 0.766 0.000 -0.051 0.000 3/30720 140.0 0.993 1.075 0.708 0.000 -0.047 0.000 3/30720 150.0 0.923 1.015 0.659 0.000 -0.043 0.000 3/30720 160.0 0.863 0.967 0.617 0.000 -0.040 0.000 3/30720 170.0 0.812 0.928 0.581 0.000 -0.037 0.000 3/30720 180.0 0.767 0.894 0.550 0.000 -0.035 0.000 3/30720 190.0 0.727 0.866 0.522 0.000 -0.033 0.000 3/30720 200.0 0.692 0.843 0.498 0.000 -0.031 0.000 3/30720 210.0 0.660 0.822 0.476 0.000 -0.029 0.000 3/30720 220.0 0.632 0.805 0.457 0.000 -0.028 0.000 3/30720 230.0 0.606 0.789 0.439 0.000 -0.027 0.000 3/30720 240.0 0.583 0.775 0.423 0.000 -0.026 0.000 3/30720 250.0 0.561 0.763 0.408 0.000 -0.025 0.000 3/30720 260.0 0.542 0.751 0.395 0.000 -0.024 0.000 3/30720 270.0 0.524 0.741 0.383 0.000 -0.023 0.000 3/30720 280.0 0.507 0.731 0.371 0.000 -0.023 0.000 3/30720 290.0 0.492 0.722 0.361 0.000 -0.022 0.000 3/30720 300.0 0.477 0.714 0.351 0.000 -0.022 0.000 3/30720 310.0 0.464 0.706 0.342 0.000 -0.021 0.000 3/30720 320.0 0.451 0.698 0.333 0.000 -0.021 0.000 3/30720 330.0 0.440 0.690 0.325 0.000 -0.020 0.000 3/30720 340.0 0.429 0.683 0.317 0.000 -0.020 0.000 3/30720 350.0 0.418 0.675 0.310 0.000 -0.020 0.000 3/30720 360.0 0.408 0.668 0.303 0.000 -0.019 0.000 3/30720 370.0 0.399 0.661 0.297 0.000 -0.019 0.000 3/30720 380.0 0.390 0.654 0.291 0.000 -0.019 0.000 3/30720 390.0 0.382 0.648 0.285 0.000 -0.019 0.000 3/30720 400.0 0.374 0.641 0.279 0.000 -0.018 0.000 3/30720 410.0 0.366 0.634 0.274 0.000 -0.018 0.000 3/30720 420.0 0.359 0.628 0.269 0.000 -0.018 0.000 3/30720 430.0 0.352 0.621 0.264 0.000 -0.018 0.000 3/30720 440.0 0.345 0.615 0.260 0.000 -0.017 0.000 3/30720 450.0 0.339 0.608 0.255 0.000 -0.017 0.000 3/30720 460.0 0.332 0.602 0.251 0.000 -0.017 0.000 3/30720 470.0 0.326 0.595 0.247 0.000 -0.017 0.000 3/30720 480.0 0.321 0.589 0.243 0.000 -0.017 0.000 3/30720 490.0 0.315 0.583 0.239 0.000 -0.017 0.000 3/30720 500.0 0.310 0.577 0.235 0.000 -0.016 0.000 3/30720 510.0 0.305 0.571 0.231 0.000 -0.016 0.000 3/30720 520.0 0.300 0.565 0.228 0.000 -0.016 0.000 3/30720 530.0 0.295 0.559 0.225 0.000 -0.016 0.000 3/30720 540.0 0.290 0.553 0.221 0.000 -0.016 0.000 3/30720 550.0 0.286 0.547 0.218 0.000 -0.016 0.000 3/30720 560.0 0.281 0.541 0.215 0.000 -0.016 0.000 3/30720 570.0 0.277 0.536 0.212 0.000 -0.015 0.000 3/30720 580.0 0.273 0.530 0.209 0.000 -0.015 0.000 3/30720 590.0 0.269 0.525 0.206 0.000 -0.015 0.000 3/30720 600.0 0.265 0.519 0.203 0.000 -0.015 0.000 3/30720 610.0 0.262 0.514 0.201 0.000 -0.015 0.000 3/30720 620.0 0.258 0.509 0.198 0.000 -0.015 0.000 3/30720 630.0 0.254 0.503 0.195 0.000 -0.015 0.000 3/30720 640.0 0.251 0.498 0.193 0.000 -0.015 0.000 3/30720 650.0 0.248 0.493 0.191 0.000 -0.014 0.000 3/30720 660.0 0.244 0.488 0.188 0.000 -0.014 0.000 3/30720 670.0 0.241 0.483 0.186 0.000 -0.014 0.000 3/30720 680.0 0.238 0.478 0.184 0.000 -0.014 0.000 3/30720 690.0 0.235 0.474 0.181 0.000 -0.014 0.000 3/30720 700.0 0.232 0.469 0.179 0.000 -0.014 0.000 3/30720 710.0 0.229 0.464 0.177 0.000 -0.014 0.000 3/30720 720.0 0.226 0.460 0.175 0.000 -0.014 0.000 3/30720 730.0 0.224 0.455 0.173 0.000 -0.014 0.000 3/30720 740.0 0.221 0.451 0.171 0.000 -0.013 0.000 3/30720 750.0 0.218 0.446 0.169 0.000 -0.013 0.000 3/30720 760.0 0.216 0.442 0.167 0.000 -0.013 0.000 3/30720 770.0 0.213 0.438 0.165 0.000 -0.013 0.000 3/30720 780.0 0.211 0.433 0.164 0.000 -0.013 0.000 3/30720 790.0 0.208 0.429 0.162 0.000 -0.013 0.000 3/30720 800.0 0.206 0.425 0.160 0.000 -0.013 0.000 3/30720 810.0 0.204 0.421 0.158 0.000 -0.013 0.000 3/30720 820.0 0.202 0.417 0.157 0.000 -0.013 0.000 3/30720 830.0 0.199 0.413 0.155 0.000 -0.012 0.000 3/30720 840.0 0.197 0.410 0.153 0.000 -0.012 0.000 3/30720 850.0 0.195 0.406 0.152 0.000 -0.012 0.000 3/30720 860.0 0.193 0.402 0.150 0.000 -0.012 0.000 3/30720 870.0 0.191 0.399 0.149 0.000 -0.012 0.000 3/30720 880.0 0.189 0.395 0.147 0.000 -0.012 0.000 3/30720 890.0 0.187 0.391 0.146 0.000 -0.012 0.000 3/30720 900.0 0.185 0.388 0.145 0.000 -0.012 0.000 3/30720 910.0 0.183 0.385 0.143 0.000 -0.012 0.000 3/30720 920.0 0.182 0.381 0.142 0.000 -0.012 0.000 3/30720 930.0 0.180 0.378 0.140 0.000 -0.012 0.000 3/30720 940.0 0.178 0.375 0.139 0.000 -0.011 0.000 3/30720 950.0 0.176 0.371 0.138 0.000 -0.011 0.000 3/30720 960.0 0.175 0.368 0.137 0.000 -0.011 0.000 3/30720 970.0 0.173 0.365 0.135 0.000 -0.011 0.000 3/30720 980.0 0.171 0.362 0.134 0.000 -0.011 0.000 3/30720 990.0 0.170 0.359 0.133 0.000 -0.011 0.000 3/30720 1000.0 0.168 0.356 0.132 0.000 -0.011 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:17:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|