----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:52:19]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.024437845140389 -6.488495964999999 0.000000000000000 b 5.024437845140389 6.488495964999999 0.000000000000000 c -1.242511966848964 0.000000000000000 4.464363618477171 Atomic positions (fractional): *1 H 0.18451921557584 0.75743037980698 0.71721226751226 1.008 2 H 0.24256962019302 0.81548078442416 0.28278773248774 1.008 3 H 0.81548078442416 0.24256962019302 0.28278773248774 1.008 4 H 0.75743037980698 0.18451921557584 0.71721226751226 1.008 *5 H 0.17575425325263 0.57448097171586 0.50489553323251 1.008 6 H 0.57448097171586 0.17575425325263 0.50489553323251 1.008 *7 H 0.06464140184398 0.31730844169918 0.96494742219702 1.008 8 H 0.68269155830082 0.93535859815602 0.03505257780298 1.008 9 H 0.93535859815602 0.68269155830082 0.03505257780298 1.008 10 H 0.31730844169918 0.06464140184398 0.96494742219702 1.008 *11 H 0.04470432324424 0.20653882877461 0.63557657984013 1.008 12 H 0.79346117122539 0.95529567675576 0.36442342015988 1.008 13 H 0.95529567675576 0.79346117122539 0.36442342015988 1.008 14 H 0.20653882877461 0.04470432324424 0.63557657984013 1.008 15 H 0.42551902828414 0.82424574674737 0.49510446676749 1.008 16 H 0.82424574674737 0.42551902828414 0.49510446676749 1.008 *17 O 0.98456715531562 0.21411828261418 0.80955080948030 15.999 *18 O 0.63389673004076 0.17750232434439 0.71216121530888 15.999 19 O 0.82249767565561 0.36610326995924 0.28783878469112 15.999 20 O 0.36610326995924 0.82249767565561 0.28783878469112 15.999 21 O 0.17750232434439 0.63389673004076 0.71216121530888 15.999 22 O 0.21411828261418 0.98456715531562 0.80955080948030 15.999 *23 O 0.76017743772725 0.56067626203571 0.77782185556558 15.999 24 O 0.43932373796429 0.23982256227275 0.22217814443442 15.999 25 O 0.23982256227275 0.43932373796429 0.22217814443442 15.999 26 O 0.56067626203571 0.76017743772725 0.77782185556558 15.999 *27 O 0.40086895650553 0.40086895650553 0.71292508018512 15.999 28 O 0.59913104349447 0.59913104349447 0.28707491981488 15.999 *29 O 0.15737814111171 0.15737814111171 0.38542625146739 15.999 30 O 0.84262185888829 0.84262185888829 0.61457374853261 15.999 31 O 0.78588171738582 0.01543284468438 0.19044919051970 15.999 32 O 0.01543284468438 0.78588171738582 0.19044919051970 15.999 *33 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *34 Mg 0.61427062340731 0.38572937659269 0.00000000000000 24.305 35 Mg 0.38572937659269 0.61427062340731 0.00000000000000 24.305 *36 P 0.68643828506344 0.68643828506344 0.61591697464300 30.974 37 P 0.31356171493655 0.31356171493655 0.38408302535700 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.048875690280777 0.000000000000000 0.000000000000000 b 0.000000000000000 12.976991929999999 0.000000000000000 c -1.242511966848964 0.000000000000000 4.464363618477171 Atomic positions (fractional): *1 H 0.47097479769141 0.28645558211557 0.71721226751226 1.008 > 1 2 H 0.52902520230859 0.28645558211557 0.28278773248774 1.008 > 2 3 H 0.52902520230859 0.71354441788443 0.28278773248774 1.008 > 3 4 H 0.47097479769141 0.71354441788443 0.71721226751226 1.008 > 4 *5 H 0.37511761248425 0.19936335923161 0.50489553323251 1.008 > 5 6 H 0.37511761248425 0.80063664076839 0.50489553323251 1.008 > 6 *7 H 0.19097492177158 0.12633351992760 0.96494742219702 1.008 > 7 8 H 0.80902507822842 0.12633351992760 0.03505257780298 1.008 > 8 9 H 0.80902507822842 0.87366648007240 0.03505257780298 1.008 > 9 10 H 0.19097492177158 0.87366648007240 0.96494742219702 1.008 > 10 *11 H 0.12562157600943 0.08091725276519 0.63557657984013 1.008 > 11 12 H 0.87437842399057 0.08091725276519 0.36442342015988 1.008 > 12 13 H 0.87437842399057 0.91908274723481 0.36442342015988 1.008 > 13 14 H 0.12562157600943 0.91908274723481 0.63557657984013 1.008 > 14 15 H 0.62488238751575 0.19936335923161 0.49510446676749 1.008 > 15 16 H 0.62488238751575 0.80063664076839 0.49510446676749 1.008 > 16 17 H 0.97097479769141 0.78645558211557 0.71721226751226 1.008 > 1 18 H 0.02902520230859 0.78645558211557 0.28278773248774 1.008 > 2 19 H 0.02902520230859 0.21354441788443 0.28278773248774 1.008 > 3 20 H 0.97097479769141 0.21354441788443 0.71721226751226 1.008 > 4 21 H 0.87511761248425 0.69936335923161 0.50489553323251 1.008 > 5 22 H 0.87511761248425 0.30063664076839 0.50489553323251 1.008 > 6 23 H 0.69097492177158 0.62633351992760 0.96494742219702 1.008 > 7 24 H 0.30902507822842 0.62633351992760 0.03505257780298 1.008 > 8 25 H 0.30902507822842 0.37366648007240 0.03505257780298 1.008 > 9 26 H 0.69097492177158 0.37366648007240 0.96494742219702 1.008 > 10 27 H 0.62562157600943 0.58091725276519 0.63557657984013 1.008 > 11 28 H 0.37437842399057 0.58091725276519 0.36442342015988 1.008 > 12 29 H 0.37437842399057 0.41908274723481 0.36442342015988 1.008 > 13 30 H 0.62562157600943 0.41908274723481 0.63557657984013 1.008 > 14 31 H 0.12488238751576 0.69936335923161 0.49510446676749 1.008 > 15 32 H 0.12488238751576 0.30063664076839 0.49510446676749 1.008 > 16 *33 O 0.59934271896490 0.61477556364928 0.80955080948030 15.999 > 17 *34 O 0.40569952719257 0.77180279715181 0.71216121530888 15.999 > 18 35 O 0.59430047280743 0.77180279715181 0.28783878469112 15.999 > 19 36 O 0.59430047280743 0.22819720284819 0.28783878469112 15.999 > 20 37 O 0.40569952719257 0.22819720284819 0.71216121530888 15.999 > 21 38 O 0.59934271896490 0.38522443635072 0.80955080948030 15.999 > 22 *39 O 0.66042684988148 0.90024941215423 0.77782185556558 15.999 > 23 40 O 0.33957315011852 0.90024941215423 0.22217814443442 15.999 > 24 41 O 0.33957315011852 0.09975058784577 0.22217814443442 15.999 > 25 42 O 0.66042684988148 0.09975058784577 0.77782185556558 15.999 > 26 *43 O 0.40086895650553 0.00000000000000 0.71292508018512 15.999 > 27 44 O 0.59913104349447 0.00000000000000 0.28707491981488 15.999 > 28 *45 O 0.15737814111171 0.00000000000000 0.38542625146739 15.999 > 29 46 O 0.84262185888829 0.00000000000000 0.61457374853261 15.999 > 30 47 O 0.40065728103510 0.61477556364928 0.19044919051970 15.999 > 31 48 O 0.40065728103510 0.38522443635072 0.19044919051970 15.999 > 32 49 O 0.09934271896490 0.11477556364928 0.80955080948030 15.999 > 17 50 O 0.90569952719257 0.27180279715181 0.71216121530888 15.999 > 18 51 O 0.09430047280743 0.27180279715181 0.28783878469112 15.999 > 19 52 O 0.09430047280743 0.72819720284819 0.28783878469112 15.999 > 20 53 O 0.90569952719257 0.72819720284819 0.71216121530888 15.999 > 21 54 O 0.09934271896490 0.88522443635072 0.80955080948030 15.999 > 22 55 O 0.16042684988148 0.40024941215423 0.77782185556558 15.999 > 23 56 O 0.83957315011852 0.40024941215423 0.22217814443442 15.999 > 24 57 O 0.83957315011852 0.59975058784577 0.22217814443442 15.999 > 25 58 O 0.16042684988148 0.59975058784577 0.77782185556558 15.999 > 26 59 O 0.90086895650553 0.50000000000000 0.71292508018512 15.999 > 27 60 O 0.09913104349447 0.50000000000000 0.28707491981488 15.999 > 28 61 O 0.65737814111171 0.50000000000000 0.38542625146739 15.999 > 29 62 O 0.34262185888829 0.50000000000000 0.61457374853261 15.999 > 30 63 O 0.90065728103510 0.11477556364928 0.19044919051970 15.999 > 31 64 O 0.90065728103510 0.88522443635072 0.19044919051970 15.999 > 32 *65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 33 *66 Mg 0.50000000000000 0.88572937659269 0.00000000000000 24.305 > 34 67 Mg 0.50000000000000 0.11427062340731 0.00000000000000 24.305 > 35 68 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 33 69 Mg 0.00000000000000 0.38572937659269 0.00000000000000 24.305 > 34 70 Mg 0.00000000000000 0.61427062340731 0.00000000000000 24.305 > 35 *71 P 0.68643828506344 0.00000000000000 0.61591697464300 30.974 > 36 72 P 0.31356171493655 0.00000000000000 0.38408302535700 30.974 > 37 73 P 0.18643828506345 0.50000000000000 0.61591697464300 30.974 > 36 74 P 0.81356171493656 0.50000000000000 0.38408302535700 30.974 > 37 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.048875690280777 0.000000000000000 0.000000000000000 b 0.000000000000000 12.976991929999999 0.000000000000000 c -2.485023933697928 0.000000000000000 8.928727236954343 Atomic positions (fractional): *1 H 0.47097479769141 0.28645558211557 0.35860613375613 1.008 > 1 2 H 0.47097479769141 0.28645558211557 0.85860613375613 1.008 > 1 3 H 0.52902520230859 0.28645558211557 0.14139386624387 1.008 > 2 4 H 0.52902520230859 0.28645558211557 0.64139386624387 1.008 > 2 5 H 0.52902520230859 0.71354441788443 0.14139386624387 1.008 > 3 6 H 0.52902520230859 0.71354441788443 0.64139386624387 1.008 > 3 7 H 0.47097479769141 0.71354441788443 0.35860613375613 1.008 > 4 8 H 0.47097479769141 0.71354441788443 0.85860613375613 1.008 > 4 *9 H 0.37511761248425 0.19936335923161 0.25244776661626 1.008 > 5 10 H 0.37511761248425 0.19936335923161 0.75244776661626 1.008 > 5 11 H 0.37511761248425 0.80063664076839 0.25244776661626 1.008 > 6 12 H 0.37511761248425 0.80063664076839 0.75244776661626 1.008 > 6 *13 H 0.19097492177158 0.12633351992760 0.48247371109851 1.008 > 7 14 H 0.19097492177158 0.12633351992760 0.98247371109851 1.008 > 7 15 H 0.80902507822842 0.12633351992760 0.01752628890149 1.008 > 8 16 H 0.80902507822842 0.12633351992760 0.51752628890149 1.008 > 8 17 H 0.80902507822842 0.87366648007240 0.01752628890149 1.008 > 9 18 H 0.80902507822842 0.87366648007240 0.51752628890149 1.008 > 9 19 H 0.19097492177158 0.87366648007240 0.48247371109851 1.008 > 10 20 H 0.19097492177158 0.87366648007240 0.98247371109851 1.008 > 10 *21 H 0.12562157600943 0.08091725276519 0.31778828992006 1.008 > 11 22 H 0.12562157600943 0.08091725276519 0.81778828992006 1.008 > 11 23 H 0.87437842399057 0.08091725276519 0.18221171007994 1.008 > 12 24 H 0.87437842399057 0.08091725276519 0.68221171007994 1.008 > 12 25 H 0.87437842399057 0.91908274723481 0.18221171007994 1.008 > 13 26 H 0.87437842399057 0.91908274723481 0.68221171007994 1.008 > 13 27 H 0.12562157600943 0.91908274723481 0.31778828992006 1.008 > 14 28 H 0.12562157600943 0.91908274723481 0.81778828992006 1.008 > 14 29 H 0.62488238751575 0.19936335923161 0.24755223338374 1.008 > 15 30 H 0.62488238751575 0.19936335923161 0.74755223338374 1.008 > 15 31 H 0.62488238751575 0.80063664076839 0.24755223338374 1.008 > 16 32 H 0.62488238751575 0.80063664076839 0.74755223338374 1.008 > 16 33 H 0.97097479769141 0.78645558211557 0.35860613375613 1.008 > 1 34 H 0.97097479769141 0.78645558211557 0.85860613375613 1.008 > 1 35 H 0.02902520230859 0.78645558211557 0.14139386624387 1.008 > 2 36 H 0.02902520230859 0.78645558211557 0.64139386624387 1.008 > 2 37 H 0.02902520230859 0.21354441788443 0.14139386624387 1.008 > 3 38 H 0.02902520230859 0.21354441788443 0.64139386624387 1.008 > 3 39 H 0.97097479769141 0.21354441788443 0.35860613375613 1.008 > 4 40 H 0.97097479769141 0.21354441788443 0.85860613375613 1.008 > 4 41 H 0.87511761248425 0.69936335923161 0.25244776661626 1.008 > 5 42 H 0.87511761248425 0.69936335923161 0.75244776661626 1.008 > 5 43 H 0.87511761248425 0.30063664076839 0.25244776661626 1.008 > 6 44 H 0.87511761248425 0.30063664076839 0.75244776661626 1.008 > 6 45 H 0.69097492177158 0.62633351992760 0.48247371109851 1.008 > 7 46 H 0.69097492177158 0.62633351992760 0.98247371109851 1.008 > 7 47 H 0.30902507822842 0.62633351992760 0.01752628890149 1.008 > 8 48 H 0.30902507822842 0.62633351992760 0.51752628890149 1.008 > 8 49 H 0.30902507822842 0.37366648007240 0.01752628890149 1.008 > 9 50 H 0.30902507822842 0.37366648007240 0.51752628890149 1.008 > 9 51 H 0.69097492177158 0.37366648007240 0.48247371109851 1.008 > 10 52 H 0.69097492177158 0.37366648007240 0.98247371109851 1.008 > 10 53 H 0.62562157600943 0.58091725276519 0.31778828992006 1.008 > 11 54 H 0.62562157600943 0.58091725276519 0.81778828992006 1.008 > 11 55 H 0.37437842399057 0.58091725276519 0.18221171007994 1.008 > 12 56 H 0.37437842399057 0.58091725276519 0.68221171007994 1.008 > 12 57 H 0.37437842399057 0.41908274723481 0.18221171007994 1.008 > 13 58 H 0.37437842399057 0.41908274723481 0.68221171007994 1.008 > 13 59 H 0.62562157600943 0.41908274723481 0.31778828992006 1.008 > 14 60 H 0.62562157600943 0.41908274723481 0.81778828992006 1.008 > 14 61 H 0.12488238751576 0.69936335923161 0.24755223338374 1.008 > 15 62 H 0.12488238751576 0.69936335923161 0.74755223338374 1.008 > 15 63 H 0.12488238751576 0.30063664076839 0.24755223338374 1.008 > 16 64 H 0.12488238751576 0.30063664076839 0.74755223338374 1.008 > 16 *65 O 0.59934271896490 0.61477556364928 0.40477540474015 15.999 > 17 66 O 0.59934271896490 0.61477556364928 0.90477540474015 15.999 > 17 *67 O 0.40569952719257 0.77180279715181 0.35608060765444 15.999 > 18 68 O 0.40569952719257 0.77180279715181 0.85608060765444 15.999 > 18 69 O 0.59430047280743 0.77180279715181 0.14391939234556 15.999 > 19 70 O 0.59430047280743 0.77180279715181 0.64391939234556 15.999 > 19 71 O 0.59430047280743 0.22819720284819 0.14391939234556 15.999 > 20 72 O 0.59430047280743 0.22819720284819 0.64391939234556 15.999 > 20 73 O 0.40569952719257 0.22819720284819 0.35608060765444 15.999 > 21 74 O 0.40569952719257 0.22819720284819 0.85608060765444 15.999 > 21 75 O 0.59934271896490 0.38522443635072 0.40477540474015 15.999 > 22 76 O 0.59934271896490 0.38522443635072 0.90477540474015 15.999 > 22 *77 O 0.66042684988148 0.90024941215423 0.38891092778279 15.999 > 23 78 O 0.66042684988148 0.90024941215423 0.88891092778279 15.999 > 23 79 O 0.33957315011852 0.90024941215423 0.11108907221721 15.999 > 24 80 O 0.33957315011852 0.90024941215423 0.61108907221721 15.999 > 24 81 O 0.33957315011852 0.09975058784577 0.11108907221721 15.999 > 25 82 O 0.33957315011852 0.09975058784577 0.61108907221721 15.999 > 25 83 O 0.66042684988148 0.09975058784577 0.38891092778279 15.999 > 26 84 O 0.66042684988148 0.09975058784577 0.88891092778279 15.999 > 26 *85 O 0.40086895650553 0.00000000000000 0.35646254009256 15.999 > 27 86 O 0.40086895650553 0.00000000000000 0.85646254009256 15.999 > 27 87 O 0.59913104349447 0.00000000000000 0.14353745990744 15.999 > 28 88 O 0.59913104349447 0.00000000000000 0.64353745990744 15.999 > 28 *89 O 0.15737814111171 0.00000000000000 0.19271312573369 15.999 > 29 90 O 0.15737814111171 0.00000000000000 0.69271312573369 15.999 > 29 91 O 0.84262185888829 0.00000000000000 0.30728687426631 15.999 > 30 92 O 0.84262185888829 0.00000000000000 0.80728687426631 15.999 > 30 93 O 0.40065728103510 0.61477556364928 0.09522459525985 15.999 > 31 94 O 0.40065728103510 0.61477556364928 0.59522459525985 15.999 > 31 95 O 0.40065728103510 0.38522443635072 0.09522459525985 15.999 > 32 96 O 0.40065728103510 0.38522443635072 0.59522459525985 15.999 > 32 97 O 0.09934271896490 0.11477556364928 0.40477540474015 15.999 > 17 98 O 0.09934271896490 0.11477556364928 0.90477540474015 15.999 > 17 99 O 0.90569952719257 0.27180279715181 0.35608060765444 15.999 > 18 100 O 0.90569952719257 0.27180279715181 0.85608060765444 15.999 > 18 101 O 0.09430047280743 0.27180279715181 0.14391939234556 15.999 > 19 102 O 0.09430047280743 0.27180279715181 0.64391939234556 15.999 > 19 103 O 0.09430047280743 0.72819720284819 0.14391939234556 15.999 > 20 104 O 0.09430047280743 0.72819720284819 0.64391939234556 15.999 > 20 105 O 0.90569952719257 0.72819720284819 0.35608060765444 15.999 > 21 106 O 0.90569952719257 0.72819720284819 0.85608060765444 15.999 > 21 107 O 0.09934271896490 0.88522443635072 0.40477540474015 15.999 > 22 108 O 0.09934271896490 0.88522443635072 0.90477540474015 15.999 > 22 109 O 0.16042684988148 0.40024941215423 0.38891092778279 15.999 > 23 110 O 0.16042684988148 0.40024941215423 0.88891092778279 15.999 > 23 111 O 0.83957315011852 0.40024941215423 0.11108907221721 15.999 > 24 112 O 0.83957315011852 0.40024941215423 0.61108907221721 15.999 > 24 113 O 0.83957315011852 0.59975058784577 0.11108907221721 15.999 > 25 114 O 0.83957315011852 0.59975058784577 0.61108907221721 15.999 > 25 115 O 0.16042684988148 0.59975058784577 0.38891092778279 15.999 > 26 116 O 0.16042684988148 0.59975058784577 0.88891092778279 15.999 > 26 117 O 0.90086895650553 0.50000000000000 0.35646254009256 15.999 > 27 118 O 0.90086895650553 0.50000000000000 0.85646254009256 15.999 > 27 119 O 0.09913104349447 0.50000000000000 0.14353745990744 15.999 > 28 120 O 0.09913104349447 0.50000000000000 0.64353745990744 15.999 > 28 121 O 0.65737814111171 0.50000000000000 0.19271312573369 15.999 > 29 122 O 0.65737814111171 0.50000000000000 0.69271312573369 15.999 > 29 123 O 0.34262185888829 0.50000000000000 0.30728687426631 15.999 > 30 124 O 0.34262185888829 0.50000000000000 0.80728687426631 15.999 > 30 125 O 0.90065728103510 0.11477556364928 0.09522459525985 15.999 > 31 126 O 0.90065728103510 0.11477556364928 0.59522459525985 15.999 > 31 127 O 0.90065728103510 0.88522443635072 0.09522459525985 15.999 > 32 128 O 0.90065728103510 0.88522443635072 0.59522459525985 15.999 > 32 *129 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 33 130 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 33 *131 Mg 0.50000000000000 0.88572937659269 0.00000000000000 24.305 > 34 132 Mg 0.50000000000000 0.88572937659269 0.50000000000000 24.305 > 34 133 Mg 0.50000000000000 0.11427062340731 0.00000000000000 24.305 > 35 134 Mg 0.50000000000000 0.11427062340731 0.50000000000000 24.305 > 35 135 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 33 136 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 33 137 Mg 0.00000000000000 0.38572937659269 0.00000000000000 24.305 > 34 138 Mg 0.00000000000000 0.38572937659269 0.50000000000000 24.305 > 34 139 Mg 0.00000000000000 0.61427062340731 0.00000000000000 24.305 > 35 140 Mg 0.00000000000000 0.61427062340731 0.50000000000000 24.305 > 35 *141 P 0.68643828506344 0.00000000000000 0.30795848732150 30.974 > 36 142 P 0.68643828506344 0.00000000000000 0.80795848732150 30.974 > 36 143 P 0.31356171493655 0.00000000000000 0.19204151267850 30.974 > 37 144 P 0.31356171493655 0.00000000000000 0.69204151267850 30.974 > 37 145 P 0.18643828506345 0.50000000000000 0.30795848732150 30.974 > 36 146 P 0.18643828506345 0.50000000000000 0.80795848732150 30.974 > 36 147 P 0.81356171493656 0.50000000000000 0.19204151267850 30.974 > 37 148 P 0.81356171493656 0.50000000000000 0.69204151267850 30.974 > 37 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5522647 0.0000000 0.0405013 0.0000000 2.5534769 0.0000000 0.0405020 0.0000000 2.6215940 -------------------------- Born effective charges -------------------------- 1 H 0.6716375 0.3092771 0.1040674 0.3647750 0.8790640 0.1224302 0.1346917 0.1377033 0.3760909 2 H 0.6716375 -0.3092771 0.1040674 -0.3647750 0.8790640 -0.1224302 0.1346917 -0.1377033 0.3760909 3 H 0.6716375 0.3092771 0.1040674 0.3647750 0.8790640 0.1224302 0.1346917 0.1377033 0.3760909 4 H 0.6716375 -0.3092771 0.1040674 -0.3647750 0.8790640 -0.1224302 0.1346917 -0.1377033 0.3760909 5 H 0.3942142 0.0439125 0.1372477 0.0024313 0.7998401 0.4845695 0.0690388 0.3388193 0.6708878 6 H 0.3942142 -0.0439125 0.1372477 -0.0024313 0.7998401 -0.4845695 0.0690388 -0.3388193 0.6708878 7 H 0.7467087 -0.0352597 0.4909720 -0.1682251 0.3683872 -0.1765754 0.5867103 -0.0769709 0.9963760 8 H 0.7467087 0.0352597 0.4909720 0.1682251 0.3683872 0.1765754 0.5867103 0.0769709 0.9963760 9 H 0.7467087 -0.0352597 0.4909720 -0.1682251 0.3683872 -0.1765754 0.5867103 -0.0769709 0.9963760 10 H 0.7467087 0.0352597 0.4909720 0.1682251 0.3683872 0.1765754 0.5867103 0.0769709 0.9963760 11 H 0.5389406 -0.3190769 -0.4346501 -0.2195405 0.6337256 0.3922539 -0.3010322 0.3756009 0.8862550 12 H 0.5389406 0.3190769 -0.4346501 0.2195405 0.6337256 -0.3922539 -0.3010322 -0.3756009 0.8862550 13 H 0.5389406 -0.3190769 -0.4346501 -0.2195405 0.6337256 0.3922539 -0.3010322 0.3756009 0.8862550 14 H 0.5389406 0.3190769 -0.4346501 0.2195405 0.6337256 -0.3922539 -0.3010322 -0.3756009 0.8862550 15 H 0.3942142 -0.0439125 0.1372477 -0.0024313 0.7998401 -0.4845695 0.0690388 -0.3388193 0.6708878 16 H 0.3942142 0.0439125 0.1372477 0.0024313 0.7998401 0.4845695 0.0690388 0.3388193 0.6708878 17 O -1.2727176 0.1791355 -0.0589441 0.3207776 -1.1797301 0.0118545 -0.1956158 -0.0695072 -1.5155887 18 O -0.9670418 0.1377453 -0.1481737 0.1194699 -1.4289400 0.2567991 -0.1549389 0.1671598 -1.0477465 19 O -0.9670418 -0.1377453 -0.1481737 -0.1194699 -1.4289400 -0.2567991 -0.1549389 -0.1671598 -1.0477465 20 O -0.9670418 0.1377453 -0.1481737 0.1194699 -1.4289400 0.2567991 -0.1549389 0.1671598 -1.0477465 21 O -0.9670418 -0.1377453 -0.1481737 -0.1194699 -1.4289400 -0.2567991 -0.1549389 -0.1671598 -1.0477465 22 O -1.2727176 -0.1791355 -0.0589441 -0.3207776 -1.1797301 -0.0118545 -0.1956158 0.0695072 -1.5155887 23 O -1.5137772 -0.2097406 -0.0194129 -0.2302346 -1.8044479 0.2515808 0.0178020 0.3598661 -1.6591648 24 O -1.5137772 0.2097406 -0.0194129 0.2302346 -1.8044479 -0.2515808 0.0178020 -0.3598661 -1.6591648 25 O -1.5137772 -0.2097406 -0.0194129 -0.2302346 -1.8044479 0.2515808 0.0178020 0.3598661 -1.6591648 26 O -1.5137772 0.2097406 -0.0194129 0.2302346 -1.8044479 -0.2515808 0.0178020 -0.3598661 -1.6591648 27 O -1.3767741 -0.0000000 -0.4759636 0.0000000 -1.1624559 0.0000000 -0.3232454 0.0000000 -2.2943898 28 O -1.3767741 -0.0000000 -0.4759636 0.0000000 -1.1624559 0.0000000 -0.3232454 0.0000000 -2.2943898 29 O -2.3708096 -0.0000000 0.1825030 0.0000000 -1.1979380 0.0000000 0.2492878 0.0000000 -1.5819648 30 O -2.3708096 -0.0000000 0.1825030 0.0000000 -1.1979380 0.0000000 0.2492878 0.0000000 -1.5819648 31 O -1.2727176 -0.1791355 -0.0589441 -0.3207776 -1.1797301 -0.0118545 -0.1956158 0.0695072 -1.5155887 32 O -1.2727176 0.1791355 -0.0589441 0.3207776 -1.1797301 0.0118545 -0.1956158 -0.0695072 -1.5155887 33 Mg 2.2006710 -0.0000000 0.1672371 0.0000000 1.7663108 0.0000000 0.1431009 0.0000000 2.0670760 34 Mg 2.0463527 -0.0000000 -0.1293336 0.0000000 1.9363371 0.0000000 -0.1234564 0.0000000 2.3035274 35 Mg 2.0463527 -0.0000000 -0.1293336 0.0000000 1.9363371 0.0000000 -0.1234564 0.0000000 2.3035274 36 P 3.4049668 -0.0000000 0.1969629 0.0000000 3.0051034 0.0000000 -0.1874481 0.0000000 3.1250701 37 P 3.4049668 -0.0000000 0.1969629 0.0000000 3.0051034 0.0000000 -0.1874481 0.0000000 3.1250701 ---------------------------------------------------------------------------- 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: 444/444 Permutation basis: 29478/29478 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6416 Number of blocks in projector: 6416 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: 1428 Use submatrix version of eigh solver. (1) Block: 500 / 1428 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1428 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1428 / 1428 (1) 413 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1312 / 1312 (1) 302 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1312 / 1312 (1) 302 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 788 / 788 (1) 276 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 788 / 788 (1) 276 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 788 / 788 (1) 278 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6416, 6329), data: False |-- (788, 776), data: False |-- (788, 10), data: (788, 22) @ (22, 10) |-- (288, 278), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (788, 776), data: False |-- (788, 12), data: (788, 24) @ (24, 12) |-- (288, 276), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (788, 776), data: False |-- (788, 12), data: (788, 24) @ (24, 12) |-- (288, 276), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (1312, 1298), data: False |-- (1312, 24), data: (1312, 38) @ (38, 24) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 236), data: True |-- (250, 240), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1312, 1298), data: False |-- (1312, 24), data: (1312, 38) @ (38, 24) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 236), data: True |-- (250, 240), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1428, 1405), data: False |-- (1428, 36), data: (1428, 59) @ (59, 36) |-- (428, 413), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 227), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 148 / 148 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 1120 - Time: 3.756 Solver_block: 200 / 1120 - Time: 3.655 Solver_block: 300 / 1120 - Time: 3.997 Solver_block: 400 / 1120 - Time: 3.733 Solver_block: 500 / 1120 - Time: 3.319 Solver_block: 600 / 1120 - Time: 3.574 Solver_block: 700 / 1120 - Time: 3.570 Solver_block: 800 / 1120 - Time: 3.629 Solver_block: 900 / 1120 - Time: 3.663 Solver_block: 1000 / 1120 - Time: 3.329 Solver_block: 1100 / 1120 - Time: 3.090 Solver_block: 1120 / 1120 - Time: 1.018 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 42.386 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 444/444 Permutation basis: 29478/29478 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6416 Number of blocks in projector: 6416 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: 1428 Use submatrix version of eigh solver. (1) Block: 500 / 1428 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1428 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1428 / 1428 (1) 413 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1312 / 1312 (1) 302 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1312 / 1312 (1) 302 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 788 / 788 (1) 276 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 788 / 788 (1) 276 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 788 / 788 (1) 278 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6416, 6329), data: False |-- (788, 776), data: False |-- (788, 10), data: (788, 22) @ (22, 10) |-- (288, 278), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (788, 776), data: False |-- (788, 12), data: (788, 24) @ (24, 12) |-- (288, 276), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (788, 776), data: False |-- (788, 12), data: (788, 24) @ (24, 12) |-- (288, 276), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (1312, 1298), data: False |-- (1312, 24), data: (1312, 38) @ (38, 24) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 236), data: True |-- (250, 240), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1312, 1298), data: False |-- (1312, 24), data: (1312, 38) @ (38, 24) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 236), data: True |-- (250, 240), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1428, 1405), data: False |-- (1428, 36), data: (1428, 59) @ (59, 36) |-- (428, 413), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 227), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 05:54:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:54:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.024437845140389 -6.488495964999999 0.000000000000000 b 5.024437845140389 6.488495964999999 0.000000000000000 c -1.242511966848964 0.000000000000000 4.464363618477171 Atomic positions (fractional): 1 H 0.18451921557584 0.75743037980698 0.71721226751226 1.008 2 H 0.24256962019302 0.81548078442416 0.28278773248774 1.008 3 H 0.81548078442416 0.24256962019302 0.28278773248774 1.008 4 H 0.75743037980698 0.18451921557584 0.71721226751226 1.008 5 H 0.17575425325263 0.57448097171586 0.50489553323251 1.008 6 H 0.57448097171586 0.17575425325263 0.50489553323251 1.008 7 H 0.06464140184398 0.31730844169918 0.96494742219702 1.008 8 H 0.68269155830082 0.93535859815602 0.03505257780298 1.008 9 H 0.93535859815602 0.68269155830082 0.03505257780298 1.008 10 H 0.31730844169918 0.06464140184398 0.96494742219702 1.008 11 H 0.04470432324424 0.20653882877461 0.63557657984013 1.008 12 H 0.79346117122539 0.95529567675576 0.36442342015988 1.008 13 H 0.95529567675576 0.79346117122539 0.36442342015988 1.008 14 H 0.20653882877461 0.04470432324424 0.63557657984013 1.008 15 H 0.42551902828414 0.82424574674737 0.49510446676749 1.008 16 H 0.82424574674737 0.42551902828414 0.49510446676749 1.008 17 O 0.98456715531562 0.21411828261418 0.80955080948030 15.999 18 O 0.63389673004076 0.17750232434439 0.71216121530888 15.999 19 O 0.82249767565561 0.36610326995924 0.28783878469112 15.999 20 O 0.36610326995924 0.82249767565561 0.28783878469112 15.999 21 O 0.17750232434439 0.63389673004076 0.71216121530888 15.999 22 O 0.21411828261418 0.98456715531562 0.80955080948030 15.999 23 O 0.76017743772725 0.56067626203571 0.77782185556558 15.999 24 O 0.43932373796429 0.23982256227275 0.22217814443442 15.999 25 O 0.23982256227275 0.43932373796429 0.22217814443442 15.999 26 O 0.56067626203571 0.76017743772725 0.77782185556558 15.999 27 O 0.40086895650553 0.40086895650553 0.71292508018512 15.999 28 O 0.59913104349447 0.59913104349447 0.28707491981488 15.999 29 O 0.15737814111171 0.15737814111171 0.38542625146739 15.999 30 O 0.84262185888829 0.84262185888829 0.61457374853261 15.999 31 O 0.78588171738582 0.01543284468438 0.19044919051970 15.999 32 O 0.01543284468438 0.78588171738582 0.19044919051970 15.999 33 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 34 Mg 0.61427062340731 0.38572937659269 0.00000000000000 24.305 35 Mg 0.38572937659269 0.61427062340731 0.00000000000000 24.305 36 P 0.68643828506344 0.68643828506344 0.61591697464300 30.974 37 P 0.31356171493655 0.31356171493655 0.38408302535700 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.048875690280777 0.000000000000000 0.000000000000000 b 0.000000000000000 12.976991929999999 0.000000000000000 c -2.485023933697928 0.000000000000000 8.928727236954343 Atomic positions (fractional): 1 H 0.47097479769141 0.28645558211557 0.35860613375613 1.008 > 1 2 H 0.47097479769141 0.28645558211557 0.85860613375613 1.008 > 1 3 H 0.52902520230859 0.28645558211557 0.14139386624387 1.008 > 3 4 H 0.52902520230859 0.28645558211557 0.64139386624387 1.008 > 3 5 H 0.52902520230859 0.71354441788443 0.14139386624387 1.008 > 5 6 H 0.52902520230859 0.71354441788443 0.64139386624387 1.008 > 5 7 H 0.47097479769141 0.71354441788443 0.35860613375613 1.008 > 7 8 H 0.47097479769141 0.71354441788443 0.85860613375613 1.008 > 7 9 H 0.37511761248425 0.19936335923161 0.25244776661626 1.008 > 9 10 H 0.37511761248425 0.19936335923161 0.75244776661626 1.008 > 9 11 H 0.37511761248425 0.80063664076839 0.25244776661626 1.008 > 11 12 H 0.37511761248425 0.80063664076839 0.75244776661626 1.008 > 11 13 H 0.19097492177158 0.12633351992760 0.48247371109851 1.008 > 13 14 H 0.19097492177158 0.12633351992760 0.98247371109851 1.008 > 13 15 H 0.80902507822842 0.12633351992760 0.01752628890149 1.008 > 15 16 H 0.80902507822842 0.12633351992760 0.51752628890149 1.008 > 15 17 H 0.80902507822842 0.87366648007240 0.01752628890149 1.008 > 17 18 H 0.80902507822842 0.87366648007240 0.51752628890149 1.008 > 17 19 H 0.19097492177158 0.87366648007240 0.48247371109851 1.008 > 19 20 H 0.19097492177158 0.87366648007240 0.98247371109851 1.008 > 19 21 H 0.12562157600943 0.08091725276519 0.31778828992006 1.008 > 21 22 H 0.12562157600943 0.08091725276519 0.81778828992006 1.008 > 21 23 H 0.87437842399057 0.08091725276519 0.18221171007994 1.008 > 23 24 H 0.87437842399057 0.08091725276519 0.68221171007994 1.008 > 23 25 H 0.87437842399057 0.91908274723481 0.18221171007994 1.008 > 25 26 H 0.87437842399057 0.91908274723481 0.68221171007994 1.008 > 25 27 H 0.12562157600943 0.91908274723481 0.31778828992006 1.008 > 27 28 H 0.12562157600943 0.91908274723481 0.81778828992006 1.008 > 27 29 H 0.62488238751575 0.19936335923161 0.24755223338374 1.008 > 29 30 H 0.62488238751575 0.19936335923161 0.74755223338374 1.008 > 29 31 H 0.62488238751575 0.80063664076839 0.24755223338374 1.008 > 31 32 H 0.62488238751575 0.80063664076839 0.74755223338374 1.008 > 31 33 H 0.97097479769141 0.78645558211557 0.35860613375613 1.008 > 1 34 H 0.97097479769141 0.78645558211557 0.85860613375613 1.008 > 1 35 H 0.02902520230859 0.78645558211557 0.14139386624387 1.008 > 3 36 H 0.02902520230859 0.78645558211557 0.64139386624387 1.008 > 3 37 H 0.02902520230859 0.21354441788443 0.14139386624387 1.008 > 5 38 H 0.02902520230859 0.21354441788443 0.64139386624387 1.008 > 5 39 H 0.97097479769141 0.21354441788443 0.35860613375613 1.008 > 7 40 H 0.97097479769141 0.21354441788443 0.85860613375613 1.008 > 7 41 H 0.87511761248425 0.69936335923161 0.25244776661626 1.008 > 9 42 H 0.87511761248425 0.69936335923161 0.75244776661626 1.008 > 9 43 H 0.87511761248425 0.30063664076839 0.25244776661626 1.008 > 11 44 H 0.87511761248425 0.30063664076839 0.75244776661626 1.008 > 11 45 H 0.69097492177158 0.62633351992760 0.48247371109851 1.008 > 13 46 H 0.69097492177158 0.62633351992760 0.98247371109851 1.008 > 13 47 H 0.30902507822842 0.62633351992760 0.01752628890149 1.008 > 15 48 H 0.30902507822842 0.62633351992760 0.51752628890149 1.008 > 15 49 H 0.30902507822842 0.37366648007240 0.01752628890149 1.008 > 17 50 H 0.30902507822842 0.37366648007240 0.51752628890149 1.008 > 17 51 H 0.69097492177158 0.37366648007240 0.48247371109851 1.008 > 19 52 H 0.69097492177158 0.37366648007240 0.98247371109851 1.008 > 19 53 H 0.62562157600943 0.58091725276519 0.31778828992006 1.008 > 21 54 H 0.62562157600943 0.58091725276519 0.81778828992006 1.008 > 21 55 H 0.37437842399057 0.58091725276519 0.18221171007994 1.008 > 23 56 H 0.37437842399057 0.58091725276519 0.68221171007994 1.008 > 23 57 H 0.37437842399057 0.41908274723481 0.18221171007994 1.008 > 25 58 H 0.37437842399057 0.41908274723481 0.68221171007994 1.008 > 25 59 H 0.62562157600943 0.41908274723481 0.31778828992006 1.008 > 27 60 H 0.62562157600943 0.41908274723481 0.81778828992006 1.008 > 27 61 H 0.12488238751576 0.69936335923161 0.24755223338374 1.008 > 29 62 H 0.12488238751576 0.69936335923161 0.74755223338374 1.008 > 29 63 H 0.12488238751576 0.30063664076839 0.24755223338374 1.008 > 31 64 H 0.12488238751576 0.30063664076839 0.74755223338374 1.008 > 31 65 O 0.59934271896490 0.61477556364928 0.40477540474015 15.999 > 65 66 O 0.59934271896490 0.61477556364928 0.90477540474015 15.999 > 65 67 O 0.40569952719257 0.77180279715181 0.35608060765444 15.999 > 67 68 O 0.40569952719257 0.77180279715181 0.85608060765444 15.999 > 67 69 O 0.59430047280743 0.77180279715181 0.14391939234556 15.999 > 69 70 O 0.59430047280743 0.77180279715181 0.64391939234556 15.999 > 69 71 O 0.59430047280743 0.22819720284819 0.14391939234556 15.999 > 71 72 O 0.59430047280743 0.22819720284819 0.64391939234556 15.999 > 71 73 O 0.40569952719257 0.22819720284819 0.35608060765444 15.999 > 73 74 O 0.40569952719257 0.22819720284819 0.85608060765444 15.999 > 73 75 O 0.59934271896490 0.38522443635072 0.40477540474015 15.999 > 75 76 O 0.59934271896490 0.38522443635072 0.90477540474015 15.999 > 75 77 O 0.66042684988148 0.90024941215423 0.38891092778279 15.999 > 77 78 O 0.66042684988148 0.90024941215423 0.88891092778279 15.999 > 77 79 O 0.33957315011852 0.90024941215423 0.11108907221721 15.999 > 79 80 O 0.33957315011852 0.90024941215423 0.61108907221721 15.999 > 79 81 O 0.33957315011852 0.09975058784577 0.11108907221721 15.999 > 81 82 O 0.33957315011852 0.09975058784577 0.61108907221721 15.999 > 81 83 O 0.66042684988148 0.09975058784577 0.38891092778279 15.999 > 83 84 O 0.66042684988148 0.09975058784577 0.88891092778279 15.999 > 83 85 O 0.40086895650553 0.00000000000000 0.35646254009256 15.999 > 85 86 O 0.40086895650553 0.00000000000000 0.85646254009256 15.999 > 85 87 O 0.59913104349447 0.00000000000000 0.14353745990744 15.999 > 87 88 O 0.59913104349447 0.00000000000000 0.64353745990744 15.999 > 87 89 O 0.15737814111171 0.00000000000000 0.19271312573369 15.999 > 89 90 O 0.15737814111171 0.00000000000000 0.69271312573369 15.999 > 89 91 O 0.84262185888829 0.00000000000000 0.30728687426631 15.999 > 91 92 O 0.84262185888829 0.00000000000000 0.80728687426631 15.999 > 91 93 O 0.40065728103510 0.61477556364928 0.09522459525985 15.999 > 93 94 O 0.40065728103510 0.61477556364928 0.59522459525985 15.999 > 93 95 O 0.40065728103510 0.38522443635072 0.09522459525985 15.999 > 95 96 O 0.40065728103510 0.38522443635072 0.59522459525985 15.999 > 95 97 O 0.09934271896490 0.11477556364928 0.40477540474015 15.999 > 65 98 O 0.09934271896490 0.11477556364928 0.90477540474015 15.999 > 65 99 O 0.90569952719257 0.27180279715181 0.35608060765444 15.999 > 67 100 O 0.90569952719257 0.27180279715181 0.85608060765444 15.999 > 67 101 O 0.09430047280743 0.27180279715181 0.14391939234556 15.999 > 69 102 O 0.09430047280743 0.27180279715181 0.64391939234556 15.999 > 69 103 O 0.09430047280743 0.72819720284819 0.14391939234556 15.999 > 71 104 O 0.09430047280743 0.72819720284819 0.64391939234556 15.999 > 71 105 O 0.90569952719257 0.72819720284819 0.35608060765444 15.999 > 73 106 O 0.90569952719257 0.72819720284819 0.85608060765444 15.999 > 73 107 O 0.09934271896490 0.88522443635072 0.40477540474015 15.999 > 75 108 O 0.09934271896490 0.88522443635072 0.90477540474015 15.999 > 75 109 O 0.16042684988148 0.40024941215423 0.38891092778279 15.999 > 77 110 O 0.16042684988148 0.40024941215423 0.88891092778279 15.999 > 77 111 O 0.83957315011852 0.40024941215423 0.11108907221721 15.999 > 79 112 O 0.83957315011852 0.40024941215423 0.61108907221721 15.999 > 79 113 O 0.83957315011852 0.59975058784577 0.11108907221721 15.999 > 81 114 O 0.83957315011852 0.59975058784577 0.61108907221721 15.999 > 81 115 O 0.16042684988148 0.59975058784577 0.38891092778279 15.999 > 83 116 O 0.16042684988148 0.59975058784577 0.88891092778279 15.999 > 83 117 O 0.90086895650553 0.50000000000000 0.35646254009256 15.999 > 85 118 O 0.90086895650553 0.50000000000000 0.85646254009256 15.999 > 85 119 O 0.09913104349447 0.50000000000000 0.14353745990744 15.999 > 87 120 O 0.09913104349447 0.50000000000000 0.64353745990744 15.999 > 87 121 O 0.65737814111171 0.50000000000000 0.19271312573369 15.999 > 89 122 O 0.65737814111171 0.50000000000000 0.69271312573369 15.999 > 89 123 O 0.34262185888829 0.50000000000000 0.30728687426631 15.999 > 91 124 O 0.34262185888829 0.50000000000000 0.80728687426631 15.999 > 91 125 O 0.90065728103510 0.11477556364928 0.09522459525985 15.999 > 93 126 O 0.90065728103510 0.11477556364928 0.59522459525985 15.999 > 93 127 O 0.90065728103510 0.88522443635072 0.09522459525985 15.999 > 95 128 O 0.90065728103510 0.88522443635072 0.59522459525985 15.999 > 95 129 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 129 130 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 129 131 Mg 0.50000000000000 0.88572937659269 0.00000000000000 24.305 > 131 132 Mg 0.50000000000000 0.88572937659269 0.50000000000000 24.305 > 131 133 Mg 0.50000000000000 0.11427062340731 0.00000000000000 24.305 > 133 134 Mg 0.50000000000000 0.11427062340731 0.50000000000000 24.305 > 133 135 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 129 136 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 129 137 Mg 0.00000000000000 0.38572937659269 0.00000000000000 24.305 > 131 138 Mg 0.00000000000000 0.38572937659269 0.50000000000000 24.305 > 131 139 Mg 0.00000000000000 0.61427062340731 0.00000000000000 24.305 > 133 140 Mg 0.00000000000000 0.61427062340731 0.50000000000000 24.305 > 133 141 P 0.68643828506344 0.00000000000000 0.30795848732150 30.974 > 141 142 P 0.68643828506344 0.00000000000000 0.80795848732150 30.974 > 141 143 P 0.31356171493655 0.00000000000000 0.19204151267850 30.974 > 143 144 P 0.31356171493655 0.00000000000000 0.69204151267850 30.974 > 143 145 P 0.18643828506345 0.50000000000000 0.30795848732150 30.974 > 141 146 P 0.18643828506345 0.50000000000000 0.80795848732150 30.974 > 141 147 P 0.81356171493656 0.50000000000000 0.19204151267850 30.974 > 143 148 P 0.81356171493656 0.50000000000000 0.69204151267850 30.974 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5522647 0.0000000 0.0405013 0.0000000 2.5534769 0.0000000 0.0405020 0.0000000 2.6215940 -------------------------- Born effective charges -------------------------- 1 H 0.6716375 0.3092771 0.1040674 0.3647750 0.8790640 0.1224302 0.1346917 0.1377033 0.3760909 2 H 0.6716375 -0.3092771 0.1040674 -0.3647750 0.8790640 -0.1224302 0.1346917 -0.1377033 0.3760909 3 H 0.6716375 0.3092771 0.1040674 0.3647750 0.8790640 0.1224302 0.1346917 0.1377033 0.3760909 4 H 0.6716375 -0.3092771 0.1040674 -0.3647750 0.8790640 -0.1224302 0.1346917 -0.1377033 0.3760909 5 H 0.3942142 0.0439125 0.1372477 0.0024313 0.7998401 0.4845695 0.0690388 0.3388193 0.6708878 6 H 0.3942142 -0.0439125 0.1372477 -0.0024313 0.7998401 -0.4845695 0.0690388 -0.3388193 0.6708878 7 H 0.7467087 -0.0352597 0.4909720 -0.1682251 0.3683872 -0.1765754 0.5867103 -0.0769709 0.9963760 8 H 0.7467087 0.0352597 0.4909720 0.1682251 0.3683872 0.1765754 0.5867103 0.0769709 0.9963760 9 H 0.7467087 -0.0352597 0.4909720 -0.1682251 0.3683872 -0.1765754 0.5867103 -0.0769709 0.9963760 10 H 0.7467087 0.0352597 0.4909720 0.1682251 0.3683872 0.1765754 0.5867103 0.0769709 0.9963760 11 H 0.5389406 -0.3190769 -0.4346501 -0.2195405 0.6337256 0.3922539 -0.3010322 0.3756009 0.8862550 12 H 0.5389406 0.3190769 -0.4346501 0.2195405 0.6337256 -0.3922539 -0.3010322 -0.3756009 0.8862550 13 H 0.5389406 -0.3190769 -0.4346501 -0.2195405 0.6337256 0.3922539 -0.3010322 0.3756009 0.8862550 14 H 0.5389406 0.3190769 -0.4346501 0.2195405 0.6337256 -0.3922539 -0.3010322 -0.3756009 0.8862550 15 H 0.3942142 -0.0439125 0.1372477 -0.0024313 0.7998401 -0.4845695 0.0690388 -0.3388193 0.6708878 16 H 0.3942142 0.0439125 0.1372477 0.0024313 0.7998401 0.4845695 0.0690388 0.3388193 0.6708878 17 O -1.2727176 0.1791355 -0.0589441 0.3207776 -1.1797301 0.0118545 -0.1956158 -0.0695072 -1.5155887 18 O -0.9670418 0.1377453 -0.1481737 0.1194699 -1.4289400 0.2567991 -0.1549389 0.1671598 -1.0477465 19 O -0.9670418 -0.1377453 -0.1481737 -0.1194699 -1.4289400 -0.2567991 -0.1549389 -0.1671598 -1.0477465 20 O -0.9670418 0.1377453 -0.1481737 0.1194699 -1.4289400 0.2567991 -0.1549389 0.1671598 -1.0477465 21 O -0.9670418 -0.1377453 -0.1481737 -0.1194699 -1.4289400 -0.2567991 -0.1549389 -0.1671598 -1.0477465 22 O -1.2727176 -0.1791355 -0.0589441 -0.3207776 -1.1797301 -0.0118545 -0.1956158 0.0695072 -1.5155887 23 O -1.5137772 -0.2097406 -0.0194129 -0.2302346 -1.8044479 0.2515808 0.0178020 0.3598661 -1.6591648 24 O -1.5137772 0.2097406 -0.0194129 0.2302346 -1.8044479 -0.2515808 0.0178020 -0.3598661 -1.6591648 25 O -1.5137772 -0.2097406 -0.0194129 -0.2302346 -1.8044479 0.2515808 0.0178020 0.3598661 -1.6591648 26 O -1.5137772 0.2097406 -0.0194129 0.2302346 -1.8044479 -0.2515808 0.0178020 -0.3598661 -1.6591648 27 O -1.3767741 -0.0000000 -0.4759636 0.0000000 -1.1624559 0.0000000 -0.3232454 0.0000000 -2.2943898 28 O -1.3767741 -0.0000000 -0.4759636 0.0000000 -1.1624559 0.0000000 -0.3232454 0.0000000 -2.2943898 29 O -2.3708096 -0.0000000 0.1825030 0.0000000 -1.1979380 0.0000000 0.2492878 0.0000000 -1.5819648 30 O -2.3708096 -0.0000000 0.1825030 0.0000000 -1.1979380 0.0000000 0.2492878 0.0000000 -1.5819648 31 O -1.2727176 -0.1791355 -0.0589441 -0.3207776 -1.1797301 -0.0118545 -0.1956158 0.0695072 -1.5155887 32 O -1.2727176 0.1791355 -0.0589441 0.3207776 -1.1797301 0.0118545 -0.1956158 -0.0695072 -1.5155887 33 Mg 2.2006710 -0.0000000 0.1672371 0.0000000 1.7663108 0.0000000 0.1431009 0.0000000 2.0670760 34 Mg 2.0463527 -0.0000000 -0.1293336 0.0000000 1.9363371 0.0000000 -0.1234564 0.0000000 2.3035274 35 Mg 2.0463527 -0.0000000 -0.1293336 0.0000000 1.9363371 0.0000000 -0.1234564 0.0000000 2.3035274 36 P 3.4049668 -0.0000000 0.1969629 0.0000000 3.0051034 0.0000000 -0.1874481 0.0000000 3.1250701 37 P 3.4049668 -0.0000000 0.1969629 0.0000000 3.0051034 0.0000000 -0.1874481 0.0000000 3.1250701 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 77, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 85, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 89, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 129, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 131, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 141, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (xyx) -0.00000007 (xyx) -0.00000007 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (xz) 0.00000008 (xz) 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 05:56:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:56:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.024437845140389 -6.488495964999999 0.000000000000000 b 5.024437845140389 6.488495964999999 0.000000000000000 c -1.242511966848964 0.000000000000000 4.464363618477171 Atomic positions (fractional): 1 H 0.18451921557584 0.75743037980698 0.71721226751226 1.008 2 H 0.24256962019302 0.81548078442416 0.28278773248774 1.008 3 H 0.81548078442416 0.24256962019302 0.28278773248774 1.008 4 H 0.75743037980698 0.18451921557584 0.71721226751226 1.008 5 H 0.17575425325263 0.57448097171586 0.50489553323251 1.008 6 H 0.57448097171586 0.17575425325263 0.50489553323251 1.008 7 H 0.06464140184398 0.31730844169918 0.96494742219702 1.008 8 H 0.68269155830082 0.93535859815602 0.03505257780298 1.008 9 H 0.93535859815602 0.68269155830082 0.03505257780298 1.008 10 H 0.31730844169918 0.06464140184398 0.96494742219702 1.008 11 H 0.04470432324424 0.20653882877461 0.63557657984013 1.008 12 H 0.79346117122539 0.95529567675576 0.36442342015988 1.008 13 H 0.95529567675576 0.79346117122539 0.36442342015988 1.008 14 H 0.20653882877461 0.04470432324424 0.63557657984013 1.008 15 H 0.42551902828414 0.82424574674737 0.49510446676749 1.008 16 H 0.82424574674737 0.42551902828414 0.49510446676749 1.008 17 O 0.98456715531562 0.21411828261418 0.80955080948030 15.999 18 O 0.63389673004076 0.17750232434439 0.71216121530888 15.999 19 O 0.82249767565561 0.36610326995924 0.28783878469112 15.999 20 O 0.36610326995924 0.82249767565561 0.28783878469112 15.999 21 O 0.17750232434439 0.63389673004076 0.71216121530888 15.999 22 O 0.21411828261418 0.98456715531562 0.80955080948030 15.999 23 O 0.76017743772725 0.56067626203571 0.77782185556558 15.999 24 O 0.43932373796429 0.23982256227275 0.22217814443442 15.999 25 O 0.23982256227275 0.43932373796429 0.22217814443442 15.999 26 O 0.56067626203571 0.76017743772725 0.77782185556558 15.999 27 O 0.40086895650553 0.40086895650553 0.71292508018512 15.999 28 O 0.59913104349447 0.59913104349447 0.28707491981488 15.999 29 O 0.15737814111171 0.15737814111171 0.38542625146739 15.999 30 O 0.84262185888829 0.84262185888829 0.61457374853261 15.999 31 O 0.78588171738582 0.01543284468438 0.19044919051970 15.999 32 O 0.01543284468438 0.78588171738582 0.19044919051970 15.999 33 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 34 Mg 0.61427062340731 0.38572937659269 0.00000000000000 24.305 35 Mg 0.38572937659269 0.61427062340731 0.00000000000000 24.305 36 P 0.68643828506344 0.68643828506344 0.61591697464300 30.974 37 P 0.31356171493655 0.31356171493655 0.38408302535700 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.048875690280777 0.000000000000000 0.000000000000000 b 0.000000000000000 12.976991929999999 0.000000000000000 c -2.485023933697928 0.000000000000000 8.928727236954343 Atomic positions (fractional): 1 H 0.47097479769141 0.28645558211557 0.35860613375613 1.008 > 1 2 H 0.47097479769141 0.28645558211557 0.85860613375613 1.008 > 1 3 H 0.52902520230859 0.28645558211557 0.14139386624387 1.008 > 3 4 H 0.52902520230859 0.28645558211557 0.64139386624387 1.008 > 3 5 H 0.52902520230859 0.71354441788443 0.14139386624387 1.008 > 5 6 H 0.52902520230859 0.71354441788443 0.64139386624387 1.008 > 5 7 H 0.47097479769141 0.71354441788443 0.35860613375613 1.008 > 7 8 H 0.47097479769141 0.71354441788443 0.85860613375613 1.008 > 7 9 H 0.37511761248425 0.19936335923161 0.25244776661626 1.008 > 9 10 H 0.37511761248425 0.19936335923161 0.75244776661626 1.008 > 9 11 H 0.37511761248425 0.80063664076839 0.25244776661626 1.008 > 11 12 H 0.37511761248425 0.80063664076839 0.75244776661626 1.008 > 11 13 H 0.19097492177158 0.12633351992760 0.48247371109851 1.008 > 13 14 H 0.19097492177158 0.12633351992760 0.98247371109851 1.008 > 13 15 H 0.80902507822842 0.12633351992760 0.01752628890149 1.008 > 15 16 H 0.80902507822842 0.12633351992760 0.51752628890149 1.008 > 15 17 H 0.80902507822842 0.87366648007240 0.01752628890149 1.008 > 17 18 H 0.80902507822842 0.87366648007240 0.51752628890149 1.008 > 17 19 H 0.19097492177158 0.87366648007240 0.48247371109851 1.008 > 19 20 H 0.19097492177158 0.87366648007240 0.98247371109851 1.008 > 19 21 H 0.12562157600943 0.08091725276519 0.31778828992006 1.008 > 21 22 H 0.12562157600943 0.08091725276519 0.81778828992006 1.008 > 21 23 H 0.87437842399057 0.08091725276519 0.18221171007994 1.008 > 23 24 H 0.87437842399057 0.08091725276519 0.68221171007994 1.008 > 23 25 H 0.87437842399057 0.91908274723481 0.18221171007994 1.008 > 25 26 H 0.87437842399057 0.91908274723481 0.68221171007994 1.008 > 25 27 H 0.12562157600943 0.91908274723481 0.31778828992006 1.008 > 27 28 H 0.12562157600943 0.91908274723481 0.81778828992006 1.008 > 27 29 H 0.62488238751575 0.19936335923161 0.24755223338374 1.008 > 29 30 H 0.62488238751575 0.19936335923161 0.74755223338374 1.008 > 29 31 H 0.62488238751575 0.80063664076839 0.24755223338374 1.008 > 31 32 H 0.62488238751575 0.80063664076839 0.74755223338374 1.008 > 31 33 H 0.97097479769141 0.78645558211557 0.35860613375613 1.008 > 1 34 H 0.97097479769141 0.78645558211557 0.85860613375613 1.008 > 1 35 H 0.02902520230859 0.78645558211557 0.14139386624387 1.008 > 3 36 H 0.02902520230859 0.78645558211557 0.64139386624387 1.008 > 3 37 H 0.02902520230859 0.21354441788443 0.14139386624387 1.008 > 5 38 H 0.02902520230859 0.21354441788443 0.64139386624387 1.008 > 5 39 H 0.97097479769141 0.21354441788443 0.35860613375613 1.008 > 7 40 H 0.97097479769141 0.21354441788443 0.85860613375613 1.008 > 7 41 H 0.87511761248425 0.69936335923161 0.25244776661626 1.008 > 9 42 H 0.87511761248425 0.69936335923161 0.75244776661626 1.008 > 9 43 H 0.87511761248425 0.30063664076839 0.25244776661626 1.008 > 11 44 H 0.87511761248425 0.30063664076839 0.75244776661626 1.008 > 11 45 H 0.69097492177158 0.62633351992760 0.48247371109851 1.008 > 13 46 H 0.69097492177158 0.62633351992760 0.98247371109851 1.008 > 13 47 H 0.30902507822842 0.62633351992760 0.01752628890149 1.008 > 15 48 H 0.30902507822842 0.62633351992760 0.51752628890149 1.008 > 15 49 H 0.30902507822842 0.37366648007240 0.01752628890149 1.008 > 17 50 H 0.30902507822842 0.37366648007240 0.51752628890149 1.008 > 17 51 H 0.69097492177158 0.37366648007240 0.48247371109851 1.008 > 19 52 H 0.69097492177158 0.37366648007240 0.98247371109851 1.008 > 19 53 H 0.62562157600943 0.58091725276519 0.31778828992006 1.008 > 21 54 H 0.62562157600943 0.58091725276519 0.81778828992006 1.008 > 21 55 H 0.37437842399057 0.58091725276519 0.18221171007994 1.008 > 23 56 H 0.37437842399057 0.58091725276519 0.68221171007994 1.008 > 23 57 H 0.37437842399057 0.41908274723481 0.18221171007994 1.008 > 25 58 H 0.37437842399057 0.41908274723481 0.68221171007994 1.008 > 25 59 H 0.62562157600943 0.41908274723481 0.31778828992006 1.008 > 27 60 H 0.62562157600943 0.41908274723481 0.81778828992006 1.008 > 27 61 H 0.12488238751576 0.69936335923161 0.24755223338374 1.008 > 29 62 H 0.12488238751576 0.69936335923161 0.74755223338374 1.008 > 29 63 H 0.12488238751576 0.30063664076839 0.24755223338374 1.008 > 31 64 H 0.12488238751576 0.30063664076839 0.74755223338374 1.008 > 31 65 O 0.59934271896490 0.61477556364928 0.40477540474015 15.999 > 65 66 O 0.59934271896490 0.61477556364928 0.90477540474015 15.999 > 65 67 O 0.40569952719257 0.77180279715181 0.35608060765444 15.999 > 67 68 O 0.40569952719257 0.77180279715181 0.85608060765444 15.999 > 67 69 O 0.59430047280743 0.77180279715181 0.14391939234556 15.999 > 69 70 O 0.59430047280743 0.77180279715181 0.64391939234556 15.999 > 69 71 O 0.59430047280743 0.22819720284819 0.14391939234556 15.999 > 71 72 O 0.59430047280743 0.22819720284819 0.64391939234556 15.999 > 71 73 O 0.40569952719257 0.22819720284819 0.35608060765444 15.999 > 73 74 O 0.40569952719257 0.22819720284819 0.85608060765444 15.999 > 73 75 O 0.59934271896490 0.38522443635072 0.40477540474015 15.999 > 75 76 O 0.59934271896490 0.38522443635072 0.90477540474015 15.999 > 75 77 O 0.66042684988148 0.90024941215423 0.38891092778279 15.999 > 77 78 O 0.66042684988148 0.90024941215423 0.88891092778279 15.999 > 77 79 O 0.33957315011852 0.90024941215423 0.11108907221721 15.999 > 79 80 O 0.33957315011852 0.90024941215423 0.61108907221721 15.999 > 79 81 O 0.33957315011852 0.09975058784577 0.11108907221721 15.999 > 81 82 O 0.33957315011852 0.09975058784577 0.61108907221721 15.999 > 81 83 O 0.66042684988148 0.09975058784577 0.38891092778279 15.999 > 83 84 O 0.66042684988148 0.09975058784577 0.88891092778279 15.999 > 83 85 O 0.40086895650553 0.00000000000000 0.35646254009256 15.999 > 85 86 O 0.40086895650553 0.00000000000000 0.85646254009256 15.999 > 85 87 O 0.59913104349447 0.00000000000000 0.14353745990744 15.999 > 87 88 O 0.59913104349447 0.00000000000000 0.64353745990744 15.999 > 87 89 O 0.15737814111171 0.00000000000000 0.19271312573369 15.999 > 89 90 O 0.15737814111171 0.00000000000000 0.69271312573369 15.999 > 89 91 O 0.84262185888829 0.00000000000000 0.30728687426631 15.999 > 91 92 O 0.84262185888829 0.00000000000000 0.80728687426631 15.999 > 91 93 O 0.40065728103510 0.61477556364928 0.09522459525985 15.999 > 93 94 O 0.40065728103510 0.61477556364928 0.59522459525985 15.999 > 93 95 O 0.40065728103510 0.38522443635072 0.09522459525985 15.999 > 95 96 O 0.40065728103510 0.38522443635072 0.59522459525985 15.999 > 95 97 O 0.09934271896490 0.11477556364928 0.40477540474015 15.999 > 65 98 O 0.09934271896490 0.11477556364928 0.90477540474015 15.999 > 65 99 O 0.90569952719257 0.27180279715181 0.35608060765444 15.999 > 67 100 O 0.90569952719257 0.27180279715181 0.85608060765444 15.999 > 67 101 O 0.09430047280743 0.27180279715181 0.14391939234556 15.999 > 69 102 O 0.09430047280743 0.27180279715181 0.64391939234556 15.999 > 69 103 O 0.09430047280743 0.72819720284819 0.14391939234556 15.999 > 71 104 O 0.09430047280743 0.72819720284819 0.64391939234556 15.999 > 71 105 O 0.90569952719257 0.72819720284819 0.35608060765444 15.999 > 73 106 O 0.90569952719257 0.72819720284819 0.85608060765444 15.999 > 73 107 O 0.09934271896490 0.88522443635072 0.40477540474015 15.999 > 75 108 O 0.09934271896490 0.88522443635072 0.90477540474015 15.999 > 75 109 O 0.16042684988148 0.40024941215423 0.38891092778279 15.999 > 77 110 O 0.16042684988148 0.40024941215423 0.88891092778279 15.999 > 77 111 O 0.83957315011852 0.40024941215423 0.11108907221721 15.999 > 79 112 O 0.83957315011852 0.40024941215423 0.61108907221721 15.999 > 79 113 O 0.83957315011852 0.59975058784577 0.11108907221721 15.999 > 81 114 O 0.83957315011852 0.59975058784577 0.61108907221721 15.999 > 81 115 O 0.16042684988148 0.59975058784577 0.38891092778279 15.999 > 83 116 O 0.16042684988148 0.59975058784577 0.88891092778279 15.999 > 83 117 O 0.90086895650553 0.50000000000000 0.35646254009256 15.999 > 85 118 O 0.90086895650553 0.50000000000000 0.85646254009256 15.999 > 85 119 O 0.09913104349447 0.50000000000000 0.14353745990744 15.999 > 87 120 O 0.09913104349447 0.50000000000000 0.64353745990744 15.999 > 87 121 O 0.65737814111171 0.50000000000000 0.19271312573369 15.999 > 89 122 O 0.65737814111171 0.50000000000000 0.69271312573369 15.999 > 89 123 O 0.34262185888829 0.50000000000000 0.30728687426631 15.999 > 91 124 O 0.34262185888829 0.50000000000000 0.80728687426631 15.999 > 91 125 O 0.90065728103510 0.11477556364928 0.09522459525985 15.999 > 93 126 O 0.90065728103510 0.11477556364928 0.59522459525985 15.999 > 93 127 O 0.90065728103510 0.88522443635072 0.09522459525985 15.999 > 95 128 O 0.90065728103510 0.88522443635072 0.59522459525985 15.999 > 95 129 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 129 130 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 129 131 Mg 0.50000000000000 0.88572937659269 0.00000000000000 24.305 > 131 132 Mg 0.50000000000000 0.88572937659269 0.50000000000000 24.305 > 131 133 Mg 0.50000000000000 0.11427062340731 0.00000000000000 24.305 > 133 134 Mg 0.50000000000000 0.11427062340731 0.50000000000000 24.305 > 133 135 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 129 136 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 129 137 Mg 0.00000000000000 0.38572937659269 0.00000000000000 24.305 > 131 138 Mg 0.00000000000000 0.38572937659269 0.50000000000000 24.305 > 131 139 Mg 0.00000000000000 0.61427062340731 0.00000000000000 24.305 > 133 140 Mg 0.00000000000000 0.61427062340731 0.50000000000000 24.305 > 133 141 P 0.68643828506344 0.00000000000000 0.30795848732150 30.974 > 141 142 P 0.68643828506344 0.00000000000000 0.80795848732150 30.974 > 141 143 P 0.31356171493655 0.00000000000000 0.19204151267850 30.974 > 143 144 P 0.31356171493655 0.00000000000000 0.69204151267850 30.974 > 143 145 P 0.18643828506345 0.50000000000000 0.30795848732150 30.974 > 141 146 P 0.18643828506345 0.50000000000000 0.80795848732150 30.974 > 141 147 P 0.81356171493656 0.50000000000000 0.19204151267850 30.974 > 143 148 P 0.81356171493656 0.50000000000000 0.69204151267850 30.974 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5522647 0.0000000 0.0405013 0.0000000 2.5534769 0.0000000 0.0405020 0.0000000 2.6215940 -------------------------- Born effective charges -------------------------- 1 H 0.6716375 0.3092771 0.1040674 0.3647750 0.8790640 0.1224302 0.1346917 0.1377033 0.3760909 2 H 0.6716375 -0.3092771 0.1040674 -0.3647750 0.8790640 -0.1224302 0.1346917 -0.1377033 0.3760909 3 H 0.6716375 0.3092771 0.1040674 0.3647750 0.8790640 0.1224302 0.1346917 0.1377033 0.3760909 4 H 0.6716375 -0.3092771 0.1040674 -0.3647750 0.8790640 -0.1224302 0.1346917 -0.1377033 0.3760909 5 H 0.3942142 0.0439125 0.1372477 0.0024313 0.7998401 0.4845695 0.0690388 0.3388193 0.6708878 6 H 0.3942142 -0.0439125 0.1372477 -0.0024313 0.7998401 -0.4845695 0.0690388 -0.3388193 0.6708878 7 H 0.7467087 -0.0352597 0.4909720 -0.1682251 0.3683872 -0.1765754 0.5867103 -0.0769709 0.9963760 8 H 0.7467087 0.0352597 0.4909720 0.1682251 0.3683872 0.1765754 0.5867103 0.0769709 0.9963760 9 H 0.7467087 -0.0352597 0.4909720 -0.1682251 0.3683872 -0.1765754 0.5867103 -0.0769709 0.9963760 10 H 0.7467087 0.0352597 0.4909720 0.1682251 0.3683872 0.1765754 0.5867103 0.0769709 0.9963760 11 H 0.5389406 -0.3190769 -0.4346501 -0.2195405 0.6337256 0.3922539 -0.3010322 0.3756009 0.8862550 12 H 0.5389406 0.3190769 -0.4346501 0.2195405 0.6337256 -0.3922539 -0.3010322 -0.3756009 0.8862550 13 H 0.5389406 -0.3190769 -0.4346501 -0.2195405 0.6337256 0.3922539 -0.3010322 0.3756009 0.8862550 14 H 0.5389406 0.3190769 -0.4346501 0.2195405 0.6337256 -0.3922539 -0.3010322 -0.3756009 0.8862550 15 H 0.3942142 -0.0439125 0.1372477 -0.0024313 0.7998401 -0.4845695 0.0690388 -0.3388193 0.6708878 16 H 0.3942142 0.0439125 0.1372477 0.0024313 0.7998401 0.4845695 0.0690388 0.3388193 0.6708878 17 O -1.2727176 0.1791355 -0.0589441 0.3207776 -1.1797301 0.0118545 -0.1956158 -0.0695072 -1.5155887 18 O -0.9670418 0.1377453 -0.1481737 0.1194699 -1.4289400 0.2567991 -0.1549389 0.1671598 -1.0477465 19 O -0.9670418 -0.1377453 -0.1481737 -0.1194699 -1.4289400 -0.2567991 -0.1549389 -0.1671598 -1.0477465 20 O -0.9670418 0.1377453 -0.1481737 0.1194699 -1.4289400 0.2567991 -0.1549389 0.1671598 -1.0477465 21 O -0.9670418 -0.1377453 -0.1481737 -0.1194699 -1.4289400 -0.2567991 -0.1549389 -0.1671598 -1.0477465 22 O -1.2727176 -0.1791355 -0.0589441 -0.3207776 -1.1797301 -0.0118545 -0.1956158 0.0695072 -1.5155887 23 O -1.5137772 -0.2097406 -0.0194129 -0.2302346 -1.8044479 0.2515808 0.0178020 0.3598661 -1.6591648 24 O -1.5137772 0.2097406 -0.0194129 0.2302346 -1.8044479 -0.2515808 0.0178020 -0.3598661 -1.6591648 25 O -1.5137772 -0.2097406 -0.0194129 -0.2302346 -1.8044479 0.2515808 0.0178020 0.3598661 -1.6591648 26 O -1.5137772 0.2097406 -0.0194129 0.2302346 -1.8044479 -0.2515808 0.0178020 -0.3598661 -1.6591648 27 O -1.3767741 -0.0000000 -0.4759636 0.0000000 -1.1624559 0.0000000 -0.3232454 0.0000000 -2.2943898 28 O -1.3767741 -0.0000000 -0.4759636 0.0000000 -1.1624559 0.0000000 -0.3232454 0.0000000 -2.2943898 29 O -2.3708096 -0.0000000 0.1825030 0.0000000 -1.1979380 0.0000000 0.2492878 0.0000000 -1.5819648 30 O -2.3708096 -0.0000000 0.1825030 0.0000000 -1.1979380 0.0000000 0.2492878 0.0000000 -1.5819648 31 O -1.2727176 -0.1791355 -0.0589441 -0.3207776 -1.1797301 -0.0118545 -0.1956158 0.0695072 -1.5155887 32 O -1.2727176 0.1791355 -0.0589441 0.3207776 -1.1797301 0.0118545 -0.1956158 -0.0695072 -1.5155887 33 Mg 2.2006710 -0.0000000 0.1672371 0.0000000 1.7663108 0.0000000 0.1431009 0.0000000 2.0670760 34 Mg 2.0463527 -0.0000000 -0.1293336 0.0000000 1.9363371 0.0000000 -0.1234564 0.0000000 2.3035274 35 Mg 2.0463527 -0.0000000 -0.1293336 0.0000000 1.9363371 0.0000000 -0.1234564 0.0000000 2.3035274 36 P 3.4049668 -0.0000000 0.1969629 0.0000000 3.0051034 0.0000000 -0.1874481 0.0000000 3.1250701 37 P 3.4049668 -0.0000000 0.1969629 0.0000000 3.0051034 0.0000000 -0.1874481 0.0000000 3.1250701 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xyx) -0.00000007 (xyx) -0.00000007 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 6 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/118) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 14.105 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.428 ( 0.000 0.000 0.000) 0.000 16.486 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 16.883 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 20.448 ( 0.000 0.000 0.000) 0.000 20.569 ( 0.000 0.000 0.000) 0.000 21.471 ( 0.000 0.000 0.000) 0.000 21.581 ( 0.000 0.000 0.000) 0.000 21.737 ( 0.000 0.000 0.000) 0.000 21.976 ( 0.000 0.000 0.000) 0.000 22.211 ( 0.000 0.000 0.000) 0.000 22.490 ( 0.000 0.000 0.000) 0.000 22.579 ( 0.000 0.000 0.000) 0.000 23.072 ( 0.000 0.000 0.000) 0.000 23.903 ( 0.000 0.000 0.000) 0.000 24.649 ( 0.000 0.000 0.000) 0.000 25.176 ( 0.000 0.000 0.000) 0.000 26.755 ( 0.000 0.000 0.000) 0.000 26.942 ( 0.000 0.000 0.000) 0.000 26.954 ( 0.000 0.000 0.000) 0.000 27.179 ( 0.000 0.000 0.000) 0.000 27.564 ( 0.000 0.000 0.000) 0.000 28.025 ( 0.000 0.000 0.000) 0.000 28.362 ( 0.000 0.000 0.000) 0.000 28.407 ( 0.000 0.000 0.000) 0.000 28.551 ( 0.000 0.000 0.000) 0.000 29.119 ( 0.000 0.000 0.000) 0.000 29.319 ( 0.000 0.000 0.000) 0.000 30.336 ( 0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 30.769 ( 0.000 0.000 0.000) 0.000 30.952 ( 0.000 0.000 0.000) 0.000 31.246 ( 0.000 0.000 0.000) 0.000 31.853 ( 0.000 0.000 0.000) 0.000 32.404 ( 0.000 0.000 0.000) 0.000 45.620 ( 0.000 0.000 0.000) 0.000 45.899 ( 0.000 0.000 0.000) 0.000 48.052 ( 0.000 0.000 0.000) 0.000 48.202 ( 0.000 0.000 0.000) 0.000 48.340 ( 0.000 0.000 0.000) 0.000 48.697 ( 0.000 0.000 0.000) 0.000 48.990 ( 0.000 0.000 0.000) 0.000 49.492 ( 0.000 0.000 0.000) 0.000 88.014 ( 0.000 0.000 0.000) 0.000 88.106 ( 0.000 0.000 0.000) 0.000 88.848 ( 0.000 0.000 0.000) 0.000 88.959 ( 0.000 0.000 0.000) 0.000 89.300 ( 0.000 0.000 0.000) 0.000 90.003 ( 0.000 0.000 0.000) 0.000 91.157 ( 0.000 0.000 0.000) 0.000 91.391 ( 0.000 0.000 0.000) 0.000 97.462 ( 0.000 0.000 0.000) 0.000 97.645 ( 0.000 0.000 0.000) 0.000 97.758 ( 0.000 0.000 0.000) 0.000 97.945 ( 0.000 0.000 0.000) 0.000 99.402 ( 0.000 0.000 0.000) 0.000 99.537 ( 0.000 0.000 0.000) 0.000 99.598 ( 0.000 0.000 0.000) 0.000 100.050 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/118) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 24.742 -23.072 7.531) 34.659 0.903 ( 35.810 -25.129 -6.946) 44.296 1.404 ( 58.179 -18.099 38.036) 71.827 2.534 ( -10.612 -8.940 -2.424) 14.086 4.118 ( -22.954 8.601 -3.270) 24.729 4.249 ( 3.360 6.701 3.761) 8.387 4.606 ( 1.789 3.408 0.940) 3.962 4.778 ( 4.512 1.611 5.884) 7.588 4.937 ( -2.936 5.639 3.683) 7.347 5.244 ( -6.963 -7.395 -0.069) 10.157 5.430 ( -3.890 -1.478 1.419) 4.397 5.665 ( 0.802 2.340 1.369) 2.828 5.774 ( 7.880 4.382 -5.297) 10.457 5.790 ( 1.880 1.182 -4.682) 5.182 5.950 ( 0.371 -5.443 0.698) 5.500 6.421 ( -10.873 -2.883 6.814) 13.152 6.569 ( -4.172 -6.466 -6.427) 10.027 6.672 ( 4.354 3.896 5.092) 7.750 6.793 ( 8.063 0.636 -3.810) 8.940 6.856 ( -0.680 -4.385 -0.439) 4.459 6.935 ( -9.288 1.186 -17.563) 19.903 7.230 ( -3.778 -1.286 -6.402) 7.544 7.294 ( -5.333 -1.233 4.634) 7.172 7.483 ( 2.111 -0.193 1.020) 2.353 7.535 ( -1.636 0.306 -2.878) 3.325 7.744 ( -1.056 1.680 -3.252) 3.809 7.985 ( 1.213 1.782 0.777) 2.291 8.058 ( -1.559 -2.614 3.139) 4.372 8.148 ( -2.731 -1.985 5.481) 6.437 8.418 ( -4.222 1.252 7.081) 8.339 8.830 ( 1.450 1.291 -1.172) 2.268 8.949 ( -0.061 3.896 -1.347) 4.123 9.264 ( 4.566 4.786 -14.934) 16.333 9.333 ( 9.573 4.079 -23.772) 25.950 9.586 ( -1.450 0.316 1.217) 1.919 9.771 ( 8.652 -3.561 10.961) 14.411 9.830 ( -7.609 1.052 3.777) 8.560 10.711 ( 14.781 4.966 -5.358) 16.488 10.844 ( 11.781 7.745 4.977) 14.952 11.877 ( -8.162 -2.700 -6.981) 11.074 12.152 ( 0.659 4.546 2.461) 5.211 12.518 ( 3.043 -6.245 -0.444) 6.961 12.718 ( -1.738 -3.811 2.619) 4.940 13.071 ( -0.680 -1.088 6.162) 6.294 13.220 ( 3.329 12.491 20.527) 24.258 13.621 ( 2.925 -0.293 2.483) 3.847 13.877 ( -5.920 2.104 0.539) 6.306 14.134 ( 2.639 0.252 -1.138) 2.885 14.284 ( -3.929 -1.231 -2.874) 5.021 15.797 ( -4.478 11.260 2.313) 12.337 16.166 ( 5.374 -0.420 -4.619) 7.099 16.416 ( -0.911 0.422 0.719) 1.235 16.517 ( 1.810 -0.644 2.909) 3.486 16.854 ( -21.240 -29.057 -8.617) 37.010 16.905 ( 0.511 -0.007 4.796) 4.823 19.342 ( 42.652 51.361 13.513) 68.116 20.269 ( -19.486 -4.349 4.235) 20.409 20.707 ( 8.191 -3.212 -1.642) 8.951 21.481 ( 2.957 0.078 -10.122) 10.545 21.562 ( -0.648 2.476 1.130) 2.798 21.710 ( -1.737 4.362 4.521) 6.518 22.179 ( -1.427 -0.986 -3.337) 3.760 22.374 ( -3.913 0.969 0.093) 4.032 22.554 ( -12.286 -17.088 2.533) 21.198 22.667 ( 2.054 -9.058 -4.701) 10.410 23.543 ( -25.416 -50.044 -13.929) 57.831 23.924 ( 1.887 0.617 2.946) 3.553 24.681 ( -0.291 -4.935 0.158) 4.946 25.766 ( 11.855 26.282 4.651) 29.205 26.692 ( 0.736 8.772 0.741) 8.834 26.836 ( -8.795 -0.866 -2.394) 9.156 27.056 ( 2.360 -7.115 0.263) 7.501 27.229 ( 2.066 -3.542 0.913) 4.201 27.589 ( 4.564 3.416 -0.753) 5.750 28.052 ( -2.779 -1.856 -1.220) 3.558 28.444 ( 3.310 -3.605 0.229) 4.899 28.578 ( -0.031 -3.338 -0.460) 3.369 28.971 ( 1.540 -3.891 -31.519) 31.796 29.361 ( 5.409 1.343 -0.266) 5.580 29.861 ( -3.843 5.809 32.132) 32.878 30.367 ( 3.960 2.541 2.824) 5.488 30.552 ( -8.290 1.292 -13.082) 15.541 30.919 ( 4.829 1.328 13.677) 14.565 31.256 ( 0.209 -3.127 -5.174) 6.049 31.362 ( -30.177 -31.630 16.047) 46.568 32.005 ( -4.908 -1.306 5.658) 7.603 32.393 ( 0.148 1.127 -1.397) 1.801 45.633 ( 1.088 -0.379 0.800) 1.403 45.913 ( 1.468 2.680 -6.749) 7.408 48.062 ( 0.219 -0.801 1.280) 1.526 48.199 ( -0.795 0.571 -1.429) 1.732 48.357 ( 0.195 -2.106 -0.193) 2.124 48.896 ( 7.402 11.884 -2.463) 14.215 48.988 ( -0.751 0.628 -0.537) 1.117 49.508 ( 0.848 -0.853 0.394) 1.266 88.072 ( -3.366 -6.148 -3.886) 8.015 88.112 ( 0.041 -0.597 0.497) 0.778 88.961 ( 0.699 0.585 0.316) 0.965 89.225 ( -0.628 10.343 6.770) 12.377 89.481 ( 1.540 16.261 54.245) 56.651 90.230 ( -19.812 -13.399 25.830) 35.203 91.212 ( 0.140 -7.383 0.326) 7.392 92.260 ( 43.706 48.442 -32.663) 72.964 97.472 ( 0.055 -0.966 1.087) 1.455 97.659 ( -2.982 -0.885 -1.209) 3.337 97.774 ( 0.062 -2.250 -1.537) 2.726 97.929 ( 1.230 3.552 -3.605) 5.208 99.441 ( 0.058 -5.708 -0.834) 5.769 99.563 ( 2.749 3.490 3.084) 5.408 100.051 ( 1.599 2.231 1.078) 2.949 100.388 ( -32.245 -37.887 11.778) 51.126 ======================= Grid point 2 (3/118) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 20.940 -19.959 6.321) 29.611 1.747 ( 34.129 -19.329 -6.775) 39.803 2.382 ( -13.562 -3.252 -2.770) 14.219 2.714 ( 48.728 -16.679 32.406) 60.850 3.503 ( -32.347 10.108 1.497) 33.923 4.275 ( 5.624 7.936 0.601) 9.745 4.570 ( -1.401 4.024 -1.206) 4.429 4.759 ( -10.314 -2.638 -0.605) 10.664 4.805 ( 1.864 12.736 1.885) 13.009 5.288 ( 0.519 -7.120 2.677) 7.625 5.396 ( -3.835 -3.996 0.585) 5.569 5.610 ( -2.372 4.228 -2.734) 5.566 5.645 ( -2.207 7.777 -7.073) 10.741 5.839 ( 5.164 3.089 -4.074) 7.267 6.062 ( -0.672 -6.241 1.763) 6.520 6.211 ( -14.264 -0.401 0.842) 14.295 6.562 ( -7.156 2.295 -2.380) 7.883 6.661 ( 5.057 -3.494 -4.611) 7.684 6.796 ( -2.559 -3.743 0.961) 4.635 6.893 ( 5.725 3.288 -0.387) 6.614 7.000 ( 11.304 -0.312 -4.537) 12.184 7.164 ( -3.158 -2.357 -3.764) 5.450 7.229 ( -3.587 -0.029 1.478) 3.880 7.499 ( 0.969 0.836 -1.864) 2.261 7.518 ( 2.016 -1.047 -2.424) 3.322 7.670 ( -3.321 2.443 -1.241) 4.305 7.918 ( -8.121 1.298 4.560) 9.404 8.093 ( 2.904 0.515 -2.036) 3.584 8.188 ( 1.992 -1.987 1.908) 3.400 8.346 ( -7.061 -0.955 6.213) 9.454 8.775 ( -2.649 2.022 -5.728) 6.627 8.921 ( 0.617 1.674 1.890) 2.599 9.257 ( 2.552 -0.577 -2.818) 3.845 9.334 ( 4.601 2.132 -10.738) 11.875 9.566 ( -0.408 0.853 1.108) 1.457 9.700 ( -7.570 -0.490 3.315) 8.279 10.013 ( 7.236 -2.831 8.425) 11.461 10.866 ( 13.907 6.707 -2.388) 15.623 10.963 ( 3.326 -2.040 2.614) 4.696 11.734 ( -6.172 0.021 -5.431) 8.222 12.137 ( 0.769 1.316 0.794) 1.719 12.599 ( 0.438 -2.938 -2.757) 4.053 12.777 ( 0.921 -2.168 5.608) 6.083 13.096 ( -1.395 0.915 8.615) 8.775 13.251 ( 7.146 2.849 1.704) 7.879 13.702 ( 2.297 -0.449 0.874) 2.499 13.728 ( -5.970 1.584 -0.255) 6.182 14.112 ( -3.180 1.806 -2.903) 4.669 14.256 ( -0.099 -2.779 -2.474) 3.722 15.582 ( -6.450 6.419 0.182) 9.102 16.238 ( 4.521 -0.636 -4.126) 6.153 16.400 ( -1.250 -0.030 1.661) 2.079 16.571 ( 1.991 0.048 3.237) 3.800 16.831 ( -8.177 -10.596 -4.931) 14.264 16.928 ( 0.550 1.003 3.604) 3.781 19.498 ( 30.619 25.476 3.892) 40.021 20.001 ( -25.179 -9.679 3.279) 27.174 20.879 ( 5.978 -5.498 0.725) 8.154 21.382 ( -3.248 7.107 -7.864) 11.086 21.568 ( 3.203 -1.062 -4.422) 5.563 21.660 ( -1.890 2.388 6.416) 7.102 22.192 ( 0.950 -2.475 -0.848) 2.783 22.311 ( -1.405 3.670 3.516) 5.273 22.567 ( -5.268 -7.281 -0.600) 9.007 22.768 ( -0.027 -5.690 -1.253) 5.826 23.720 ( -4.707 -21.327 -7.090) 22.963 23.965 ( 2.112 1.268 4.090) 4.775 24.755 ( -0.672 -6.941 0.305) 6.980 25.623 ( 2.939 15.453 1.095) 15.769 26.609 ( 2.475 8.004 1.587) 8.527 26.688 ( -8.247 -1.538 -2.957) 8.895 27.193 ( 1.675 -8.041 -0.073) 8.214 27.307 ( 1.206 -2.233 1.238) 2.823 27.588 ( 2.879 5.477 -1.267) 6.316 28.049 ( 0.444 -1.021 0.177) 1.127 28.566 ( 3.127 -4.272 2.348) 5.791 28.611 ( 0.424 -2.520 -3.344) 4.208 28.893 ( -2.568 -1.087 -10.151) 10.527 29.431 ( 5.480 2.726 -0.042) 6.121 29.902 ( 1.247 3.758 24.774) 25.088 30.273 ( -8.697 1.569 -14.637) 17.098 30.476 ( 4.093 0.301 -2.119) 4.619 31.010 ( 1.755 -0.005 5.492) 5.765 31.280 ( 1.067 -3.843 -9.385) 10.197 31.341 ( -12.528 -10.213 13.002) 20.743 31.958 ( -2.725 0.485 1.297) 3.057 32.374 ( 0.206 1.078 -1.395) 1.775 45.670 ( 1.643 -0.760 1.277) 2.215 45.860 ( -1.005 2.019 -3.228) 3.938 48.089 ( 0.213 -1.412 2.244) 2.659 48.168 ( -0.084 1.712 -2.209) 2.796 48.388 ( 0.210 -1.913 -0.216) 1.936 48.846 ( 1.563 5.402 -1.275) 5.767 48.968 ( -0.523 0.415 -0.118) 0.678 49.535 ( 0.718 -0.742 0.339) 1.087 88.078 ( -0.947 -2.044 -1.317) 2.609 88.125 ( 0.058 -0.729 0.454) 0.861 88.976 ( 1.626 0.175 0.478) 1.703 89.112 ( -1.970 6.260 1.355) 6.701 89.536 ( 0.275 3.758 17.967) 18.357 90.193 ( -6.680 -3.002 9.145) 11.716 91.321 ( 0.083 -7.464 0.573) 7.486 92.203 ( 14.381 18.736 -11.700) 26.358 97.494 ( 0.037 -1.144 1.473) 1.866 97.618 ( -1.396 0.384 -1.211) 1.888 97.796 ( 0.307 -2.387 -2.867) 3.744 97.879 ( -0.008 4.193 0.270) 4.201 99.517 ( -0.875 -7.000 -1.848) 7.293 99.580 ( 2.983 3.601 2.962) 5.535 100.056 ( 1.997 2.453 1.295) 3.418 100.391 ( -11.667 -13.699 3.893) 18.410 ======================= Grid point 3 (4/118) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 -0.000 -0.000) 0.000 2.106 ( 0.000 -0.000 0.000) 0.000 2.330 ( 0.000 -0.000 0.000) 0.000 3.011 ( 0.000 -0.000 0.000) 0.000 3.547 ( -0.000 -0.000 -0.000) 0.000 4.107 ( 0.000 -0.000 0.000) 0.000 4.496 ( 0.000 -0.000 -0.000) 0.000 4.672 ( 0.000 -0.000 0.000) 0.000 4.724 ( 0.000 0.000 -0.000) 0.000 5.396 ( 0.000 -0.000 -0.000) 0.000 5.455 ( -0.000 0.000 -0.000) 0.000 5.457 ( 0.000 -0.000 0.000) 0.000 5.533 ( 0.000 -0.000 0.000) 0.000 5.933 ( 0.000 0.000 -0.000) 0.000 5.946 ( -0.000 -0.000 0.000) 0.000 6.156 ( 0.000 -0.000 -0.000) 0.000 6.483 ( 0.000 -0.000 -0.000) 0.000 6.751 ( 0.000 -0.000 -0.000) 0.000 6.779 ( -0.000 -0.000 0.000) 0.000 6.921 ( 0.000 -0.000 0.000) 0.000 7.078 ( 0.000 -0.000 -0.000) 0.000 7.135 ( 0.000 -0.000 0.000) 0.000 7.249 ( 0.000 -0.000 0.000) 0.000 7.521 ( 0.000 -0.000 -0.000) 0.000 7.539 ( 0.000 -0.000 -0.000) 0.000 7.608 ( -0.000 -0.000 -0.000) 0.000 7.811 ( 0.000 -0.000 0.000) 0.000 8.113 ( 0.000 -0.000 0.000) 0.000 8.228 ( 0.000 -0.000 -0.000) 0.000 8.303 ( -0.000 -0.000 -0.000) 0.000 8.712 ( 0.000 -0.000 0.000) 0.000 8.921 ( 0.000 -0.000 -0.000) 0.000 9.295 ( 0.000 -0.000 0.000) 0.000 9.326 ( 0.000 -0.000 -0.000) 0.000 9.564 ( 0.000 -0.000 -0.000) 0.000 9.639 ( 0.000 -0.000 0.000) 0.000 10.119 ( 0.000 -0.000 0.000) 0.000 10.941 ( 0.000 -0.000 0.000) 0.000 11.008 ( 0.000 -0.000 0.000) 0.000 11.664 ( 0.000 -0.000 0.000) 0.000 12.139 ( 0.000 -0.000 -0.000) 0.000 12.611 ( 0.000 -0.000 -0.000) 0.000 12.816 ( 0.000 -0.000 -0.000) 0.000 13.093 ( 0.000 -0.000 0.000) 0.000 13.338 ( 0.000 -0.000 -0.000) 0.000 13.599 ( -0.000 -0.000 -0.000) 0.000 13.776 ( 0.000 -0.000 -0.000) 0.000 14.042 ( 0.000 -0.000 -0.000) 0.000 14.277 ( 0.000 -0.000 0.000) 0.000 15.478 ( 0.000 -0.000 0.000) 0.000 16.275 ( 0.000 -0.000 -0.000) 0.000 16.393 ( 0.000 -0.000 -0.000) 0.000 16.597 ( 0.000 -0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 16.933 ( 0.000 -0.000 -0.000) 0.000 19.721 ( 0.000 0.000 -0.000) 0.000 19.738 ( -0.000 -0.000 -0.000) 0.000 21.004 ( 0.000 -0.000 -0.000) 0.000 21.244 ( 0.000 -0.000 -0.000) 0.000 21.605 ( 0.000 -0.000 0.000) 0.000 21.636 ( 0.000 -0.000 -0.000) 0.000 22.232 ( 0.000 -0.000 -0.000) 0.000 22.270 ( 0.000 -0.000 -0.000) 0.000 22.568 ( 0.000 -0.000 0.000) 0.000 22.800 ( 0.000 -0.000 -0.000) 0.000 23.810 ( 0.000 0.000 0.000) 0.000 23.986 ( 0.000 -0.000 -0.000) 0.000 24.805 ( 0.000 -0.000 -0.000) 0.000 25.536 ( 0.000 -0.000 -0.000) 0.000 26.599 ( 0.000 0.000 0.000) 0.000 26.600 ( -0.000 -0.000 -0.000) 0.000 27.277 ( 0.000 -0.000 -0.000) 0.000 27.324 ( 0.000 -0.000 -0.000) 0.000 27.566 ( 0.000 -0.000 -0.000) 0.000 28.067 ( 0.000 -0.000 -0.000) 0.000 28.615 ( 0.000 -0.000 -0.000) 0.000 28.642 ( 0.000 -0.000 0.000) 0.000 28.847 ( 0.000 -0.000 -0.000) 0.000 29.459 ( 0.000 -0.000 -0.000) 0.000 30.044 ( -0.000 -0.000 -0.000) 0.000 30.050 ( 0.000 0.000 0.000) 0.000 30.512 ( 0.000 -0.000 -0.000) 0.000 31.035 ( 0.000 0.000 0.000) 0.000 31.294 ( -0.000 0.000 0.000) 0.000 31.333 ( 0.000 -0.000 -0.000) 0.000 31.932 ( 0.000 -0.000 0.000) 0.000 32.365 ( 0.000 -0.000 0.000) 0.000 45.699 ( 0.000 -0.000 -0.000) 0.000 45.822 ( 0.000 -0.000 -0.000) 0.000 48.114 ( 0.000 -0.000 -0.000) 0.000 48.142 ( 0.000 -0.000 -0.000) 0.000 48.403 ( 0.000 -0.000 0.000) 0.000 48.818 ( 0.000 -0.000 -0.000) 0.000 48.960 ( 0.000 -0.000 0.000) 0.000 49.547 ( 0.000 -0.000 -0.000) 0.000 88.080 ( 0.000 -0.000 -0.000) 0.000 88.132 ( 0.000 0.000 0.000) 0.000 89.017 ( -0.000 0.000 -0.000) 0.000 89.028 ( 0.000 -0.000 0.000) 0.000 89.556 ( 0.000 -0.000 -0.000) 0.000 90.178 ( 0.000 -0.000 0.000) 0.000 91.377 ( 0.000 -0.000 0.000) 0.000 92.170 ( 0.000 -0.000 -0.000) 0.000 97.507 ( 0.000 -0.000 -0.000) 0.000 97.600 ( 0.000 -0.000 0.000) 0.000 97.817 ( 0.000 0.000 0.000) 0.000 97.840 ( 0.000 -0.000 -0.000) 0.000 99.553 ( 0.000 -0.000 -0.000) 0.000 99.590 ( 0.000 0.000 0.000) 0.000 100.061 ( 0.000 -0.000 0.000) 0.000 100.391 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/118) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 29.821 -0.000 12.478) 32.327 1.469 ( 45.900 -0.000 -9.881) 46.951 2.310 ( -7.809 0.000 -0.565) 7.829 2.474 ( 55.475 -0.000 37.304) 66.851 3.679 ( -31.767 0.000 1.722) 31.813 4.358 ( 3.685 -0.000 -6.590) 7.550 4.635 ( -2.378 0.000 6.381) 6.810 4.700 ( -13.610 0.000 -3.361) 14.019 5.051 ( 2.968 -0.000 4.473) 5.368 5.144 ( -2.890 0.000 2.536) 3.845 5.362 ( -2.692 0.000 -1.653) 3.159 5.696 ( 0.768 -0.000 0.895) 1.179 5.804 ( 2.020 -0.000 -4.886) 5.287 5.894 ( 3.412 -0.000 -3.647) 4.994 5.917 ( 2.436 -0.000 -0.849) 2.580 6.159 ( -16.243 0.000 0.456) 16.250 6.539 ( 4.210 -0.000 -1.587) 4.499 6.655 ( -11.322 0.000 -7.637) 13.657 6.723 ( -2.683 0.000 2.789) 3.870 6.922 ( 3.082 -0.000 1.334) 3.359 6.999 ( 14.199 -0.000 -4.928) 15.030 7.148 ( 0.959 -0.000 -5.116) 5.206 7.244 ( -2.977 0.000 2.405) 3.827 7.483 ( 3.122 -0.000 -6.677) 7.371 7.501 ( -0.123 0.000 -5.103) 5.104 7.740 ( -2.131 0.000 -0.349) 2.160 7.902 ( -11.560 0.000 4.633) 12.454 8.106 ( 7.680 -0.000 -5.925) 9.700 8.119 ( -1.604 0.000 7.029) 7.209 8.362 ( -7.464 0.000 8.763) 11.511 8.775 ( -6.110 0.000 -3.477) 7.030 8.953 ( -0.425 0.000 -1.657) 1.710 9.244 ( 1.461 -0.000 -4.933) 5.145 9.395 ( 2.756 -0.000 -16.453) 16.682 9.592 ( 0.258 -0.000 3.400) 3.409 9.716 ( -5.636 0.000 5.000) 7.534 9.957 ( 8.886 -0.000 8.997) 12.646 10.911 ( 8.045 -0.000 -2.328) 8.375 11.036 ( 4.688 -0.000 -4.109) 6.234 11.714 ( -4.710 0.000 -6.635) 8.137 12.193 ( -0.346 0.000 0.708) 0.788 12.538 ( 2.937 -0.000 1.719) 3.403 12.726 ( 1.457 -0.000 4.575) 4.802 13.098 ( 0.016 -0.000 9.831) 9.831 13.359 ( -0.733 0.000 6.397) 6.438 13.666 ( 4.366 -0.000 0.207) 4.371 13.751 ( -9.159 0.000 -2.334) 9.451 14.158 ( -6.937 0.000 -5.058) 8.585 14.195 ( 4.452 -0.000 -1.211) 4.614 15.785 ( -10.165 0.000 -5.130) 11.386 16.242 ( 5.197 -0.000 0.134) 5.199 16.406 ( -2.135 0.000 4.206) 4.717 16.461 ( 0.680 -0.000 -5.879) 5.918 16.633 ( 4.492 -0.000 9.322) 10.348 16.945 ( 0.257 -0.000 4.658) 4.665 19.872 ( -26.338 0.000 3.223) 26.534 20.102 ( 10.804 -0.000 3.208) 11.270 20.796 ( 6.114 -0.000 -0.265) 6.120 21.499 ( 4.482 -0.000 -15.212) 15.858 21.565 ( -1.958 0.000 2.816) 3.430 21.761 ( -4.029 0.000 1.511) 4.303 21.899 ( -2.268 0.000 -5.756) 6.187 22.132 ( -3.481 0.000 2.897) 4.529 22.541 ( 3.520 -0.000 6.290) 7.208 22.802 ( 10.845 -0.000 4.241) 11.645 23.288 ( 11.179 -0.000 -4.437) 12.027 24.012 ( 5.011 -0.000 6.223) 7.990 24.631 ( -1.696 0.000 -0.447) 1.754 25.990 ( -1.615 0.000 -0.387) 1.661 26.668 ( -8.996 0.000 -1.444) 9.111 26.796 ( 2.331 -0.000 0.725) 2.441 27.009 ( -0.350 0.000 0.713) 0.794 27.223 ( 1.425 -0.000 2.922) 3.251 27.710 ( 5.546 -0.000 -1.526) 5.753 28.026 ( 0.902 -0.000 -2.375) 2.541 28.334 ( -2.015 0.000 -5.028) 5.417 28.552 ( -1.338 0.000 4.353) 4.554 28.874 ( 1.609 -0.000 -20.069) 20.133 29.523 ( 8.559 -0.000 7.595) 11.443 29.975 ( -3.431 0.000 26.596) 26.817 30.315 ( -13.303 0.000 -16.323) 21.057 30.456 ( 2.501 -0.000 3.796) 4.545 31.007 ( 7.632 -0.000 -1.393) 7.758 31.107 ( 0.751 -0.000 5.100) 5.155 31.260 ( 0.252 -0.000 10.880) 10.883 31.962 ( -2.672 0.000 2.112) 3.406 32.392 ( -0.212 0.000 -2.149) 2.159 45.659 ( 1.794 -0.000 1.146) 2.129 45.891 ( -1.895 0.000 -5.418) 5.740 48.070 ( 0.247 -0.000 2.555) 2.566 48.195 ( 0.241 -0.000 -2.220) 2.233 48.355 ( 1.034 -0.000 -0.609) 1.200 48.944 ( -3.933 0.000 -4.436) 5.929 48.971 ( -0.960 0.000 -0.323) 1.013 49.534 ( 1.914 -0.000 0.771) 2.063 88.013 ( -0.053 0.000 0.003) 0.053 88.135 ( 1.355 -0.000 1.375) 1.930 88.979 ( 1.170 -0.000 -0.543) 1.290 89.213 ( -3.279 0.000 -6.100) 6.926 89.758 ( -16.173 0.000 55.927) 58.218 89.986 ( -0.259 0.000 -4.970) 4.976 91.189 ( 1.491 -0.000 2.978) 3.331 92.695 ( 0.021 -0.000 -25.088) 25.088 97.474 ( 0.066 -0.000 2.026) 2.027 97.621 ( -0.758 0.000 -1.362) 1.559 97.760 ( 0.997 -0.000 -2.768) 2.942 97.950 ( 0.227 -0.000 -2.489) 2.499 99.395 ( -0.549 0.000 -1.606) 1.697 99.588 ( -0.575 0.000 0.521) 0.776 99.897 ( -4.000 0.000 12.925) 13.530 100.290 ( 9.741 -0.000 8.142) 12.695 ======================= Grid point 9 (6/118) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 27.600 -8.395 10.209) 30.602 2.135 ( 23.049 -1.473 -2.652) 23.248 2.261 ( 5.945 -1.210 1.062) 6.159 3.167 ( -16.570 6.794 -3.894) 18.327 3.412 ( 25.066 -4.579 24.835) 35.581 4.244 ( -20.394 4.284 -15.043) 25.702 4.378 ( -4.932 -4.516 -11.064) 12.928 4.583 ( -5.971 -0.989 3.432) 6.957 4.985 ( -2.247 9.591 2.836) 10.251 5.186 ( -2.547 -7.708 4.067) 9.080 5.400 ( 5.220 -0.758 4.985) 7.258 5.653 ( 0.324 9.866 2.817) 10.265 5.773 ( 1.085 6.195 -0.602) 6.318 5.849 ( -10.703 0.032 -1.661) 10.831 5.964 ( 7.741 -1.619 -1.700) 8.089 6.073 ( 3.636 -5.722 -5.612) 8.801 6.493 ( -3.602 1.281 -0.144) 3.826 6.625 ( -3.964 -7.101 1.335) 8.242 6.729 ( 3.912 -1.528 0.622) 4.246 6.905 ( -4.037 -1.025 -0.593) 4.208 7.090 ( -0.669 1.154 -1.094) 1.725 7.205 ( 0.347 -0.230 -0.242) 0.482 7.240 ( 7.766 2.147 0.456) 8.070 7.496 ( 1.334 -0.711 -3.974) 4.251 7.600 ( 6.038 -0.562 -4.980) 7.847 7.615 ( -6.033 4.657 1.564) 7.780 7.748 ( -6.602 -4.634 -0.423) 8.077 8.131 ( -0.096 1.199 1.787) 2.154 8.200 ( -2.034 -4.558 3.561) 6.131 8.287 ( 1.986 2.918 -1.169) 3.718 8.666 ( -5.777 -2.600 -1.128) 6.434 8.939 ( 0.284 0.474 -2.215) 2.283 9.278 ( 2.083 -0.615 3.338) 3.982 9.336 ( -2.232 0.574 -7.438) 7.787 9.612 ( -0.250 2.393 6.689) 7.109 9.687 ( 2.892 2.105 0.984) 3.710 10.096 ( 2.745 -1.196 0.676) 3.069 10.913 ( -7.875 -0.936 1.378) 8.050 11.073 ( 4.731 2.813 -5.391) 7.704 11.660 ( 0.871 -0.376 -3.058) 3.202 12.180 ( 1.382 2.331 -1.601) 3.147 12.600 ( 2.141 -0.912 2.742) 3.597 12.766 ( -0.824 -2.298 1.936) 3.116 13.122 ( -1.786 1.315 7.034) 7.375 13.359 ( 0.278 1.430 -3.044) 3.375 13.618 ( -2.369 0.847 -0.069) 2.516 13.738 ( 0.278 -2.085 -1.918) 2.847 14.037 ( -2.980 -0.253 -2.825) 4.114 14.272 ( 4.045 -0.252 -0.055) 4.053 15.579 ( -3.909 5.374 -4.653) 8.113 16.296 ( 1.333 2.027 3.120) 3.952 16.395 ( 0.622 0.106 -0.049) 0.632 16.500 ( -1.428 -6.520 -4.403) 7.996 16.781 ( 6.464 -1.270 9.188) 11.306 16.949 ( -1.606 0.571 3.853) 4.213 19.448 ( -29.717 -5.574 1.047) 30.254 20.205 ( 19.018 16.732 -0.143) 25.331 20.918 ( 4.906 -3.744 2.038) 6.499 21.411 ( -2.071 8.837 -6.863) 11.379 21.557 ( -0.517 -2.215 -1.047) 2.504 21.655 ( -3.446 1.348 1.351) 3.940 21.977 ( -5.605 -15.567 -7.960) 18.360 22.135 ( -3.136 -5.679 1.758) 6.721 22.636 ( 5.365 2.932 10.019) 11.737 22.966 ( 13.208 8.100 1.110) 15.533 23.534 ( 8.550 -11.000 -5.029) 14.812 24.141 ( 9.479 4.433 8.761) 13.648 24.629 ( -3.024 -6.786 -0.107) 7.430 25.856 ( -0.651 14.483 -0.170) 14.498 26.527 ( -7.153 -0.962 -2.162) 7.534 26.774 ( 3.035 7.988 2.233) 8.832 27.081 ( -0.441 -8.936 0.737) 8.977 27.290 ( 0.924 -3.271 2.216) 4.057 27.722 ( 2.657 6.641 -2.072) 7.447 28.046 ( 1.324 -1.351 -1.519) 2.426 28.393 ( -2.513 -15.944 -4.974) 16.890 28.549 ( -4.013 -2.021 6.901) 8.235 28.787 ( -2.434 1.529 -9.729) 10.145 29.660 ( 7.802 7.416 7.307) 13.010 30.004 ( -12.357 -1.007 -17.029) 21.064 30.065 ( 1.532 -0.536 18.000) 18.073 30.476 ( -3.160 -1.458 2.145) 4.088 31.069 ( 2.470 1.778 -12.148) 12.523 31.242 ( 13.745 -2.463 -3.376) 14.366 31.341 ( -0.225 0.142 20.870) 20.872 31.933 ( -0.606 0.045 -1.579) 1.692 32.371 ( -0.737 0.311 -1.719) 1.896 45.697 ( 1.678 -0.090 1.155) 2.039 45.825 ( -2.834 0.115 -3.267) 4.327 48.091 ( 0.042 -0.683 3.310) 3.380 48.178 ( 0.331 1.389 -2.977) 3.302 48.381 ( 1.408 -1.108 -0.753) 1.944 48.839 ( -4.977 0.960 -2.560) 5.679 48.954 ( -1.000 -0.305 -0.354) 1.104 49.565 ( 1.790 0.866 0.814) 2.149 88.025 ( -0.340 -1.910 -0.309) 1.965 88.165 ( 2.005 0.925 1.959) 2.952 88.997 ( 1.141 -0.263 -1.011) 1.547 89.100 ( -4.118 2.518 -5.655) 7.435 89.668 ( -5.342 8.157 20.517) 22.716 90.030 ( -4.491 -9.646 1.235) 10.712 91.270 ( 2.391 -3.852 4.027) 6.064 92.463 ( -2.561 13.182 -14.146) 19.505 97.490 ( -0.054 -0.772 2.240) 2.370 97.604 ( -0.165 0.179 -1.245) 1.268 97.772 ( 1.163 -0.915 -3.348) 3.660 97.922 ( -0.443 2.656 -0.083) 2.693 99.397 ( -2.288 -4.837 -2.516) 5.913 99.620 ( 0.024 -4.232 0.304) 4.243 99.913 ( -4.062 -2.934 6.349) 8.088 100.494 ( 12.733 3.389 7.035) 14.937 ======================= Grid point 10 (7/118) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -9.435 17.757 0.104) 20.108 2.236 ( -13.603 14.735 5.547) 20.807 2.349 ( 22.865 -5.757 8.705) 25.134 3.104 ( -35.763 7.957 -31.184) 48.112 3.298 ( 27.662 -3.982 1.596) 27.992 4.130 ( -4.802 -0.563 -3.065) 5.724 4.350 ( -0.943 -7.191 -1.573) 7.421 4.584 ( -1.318 -6.574 0.472) 6.721 4.862 ( -0.077 4.610 -0.155) 4.613 5.288 ( -0.419 -8.886 7.794) 11.828 5.445 ( -1.095 2.620 -0.290) 2.854 5.538 ( -4.669 -1.548 2.199) 5.388 5.713 ( 0.539 8.214 -0.649) 8.257 5.817 ( 10.863 6.197 4.981) 13.462 6.142 ( 2.788 -4.090 -0.620) 4.988 6.175 ( 10.963 1.088 -2.088) 11.213 6.496 ( 3.227 -2.317 1.643) 4.299 6.623 ( -6.072 -6.793 4.673) 10.240 6.821 ( -3.397 -1.137 3.594) 5.074 6.861 ( 2.162 0.587 -2.810) 3.594 7.011 ( -8.816 0.219 4.679) 9.983 7.163 ( -2.233 -2.050 -1.470) 3.369 7.341 ( 8.928 6.680 1.689) 11.277 7.448 ( -3.575 -2.166 -3.299) 5.326 7.516 ( -1.129 -0.876 -1.532) 2.095 7.642 ( 0.218 -0.866 3.172) 3.296 7.854 ( 8.364 -2.340 -4.551) 9.806 8.088 ( -4.690 -0.046 4.971) 6.835 8.183 ( -0.316 -0.929 -3.266) 3.410 8.367 ( 5.655 -0.794 -3.599) 6.750 8.655 ( -2.353 -4.801 3.336) 6.302 8.925 ( 0.435 0.978 -3.256) 3.428 9.236 ( -7.015 -1.226 -3.570) 7.966 9.341 ( 1.709 0.903 9.576) 9.769 9.591 ( -0.149 3.003 5.988) 6.700 9.764 ( 9.513 3.363 -1.716) 10.235 10.060 ( -5.173 0.672 -8.004) 9.554 10.747 ( -13.326 -2.479 -1.246) 13.611 11.026 ( -4.697 2.092 -3.018) 5.962 11.729 ( 7.023 0.108 2.536) 7.468 12.161 ( 1.017 2.725 -2.491) 3.829 12.656 ( 2.804 1.067 4.659) 5.541 12.770 ( -2.412 -2.531 -1.554) 3.826 13.085 ( -1.768 1.297 -1.068) 2.439 13.256 ( -6.556 1.302 -4.049) 7.815 13.670 ( -7.056 -2.777 -6.562) 10.028 13.693 ( 7.305 -0.438 3.296) 8.026 14.074 ( 4.027 -1.172 2.203) 4.737 14.313 ( 1.376 1.479 1.399) 2.458 15.533 ( 5.710 1.286 -2.277) 6.280 16.265 ( -4.094 1.433 4.902) 6.545 16.409 ( 1.419 0.573 -2.335) 2.792 16.526 ( -0.645 -3.240 -3.688) 4.951 16.913 ( -0.681 0.150 -0.436) 0.822 16.968 ( 8.477 1.018 10.634) 13.638 19.049 ( -30.660 -10.572 -2.161) 32.503 20.331 ( 20.867 14.575 -3.159) 25.648 21.016 ( -0.738 1.778 2.033) 2.800 21.268 ( 0.348 1.679 1.632) 2.367 21.569 ( -3.618 -2.239 4.778) 6.398 21.606 ( -0.789 -0.955 -5.602) 5.737 22.019 ( -5.775 -12.176 -7.233) 15.294 22.160 ( -2.711 -5.303 -1.221) 6.079 22.730 ( 6.372 5.247 10.283) 13.186 23.029 ( 9.289 11.134 -1.991) 14.636 23.738 ( 4.204 -7.419 -4.657) 9.716 24.271 ( 13.506 12.413 10.230) 21.003 24.716 ( -0.184 -9.644 0.791) 9.678 25.646 ( -0.393 15.074 -0.672) 15.094 26.452 ( -4.234 -3.849 -1.434) 5.899 26.771 ( 5.433 4.862 3.329) 8.015 27.174 ( -2.724 -8.082 -0.083) 8.529 27.324 ( -0.662 -0.078 1.688) 1.815 27.646 ( 1.187 7.795 -1.623) 8.050 28.062 ( 0.225 0.047 -1.921) 1.935 28.517 ( -10.353 -5.486 7.348) 13.830 28.565 ( -2.330 -17.663 -2.073) 17.936 28.691 ( -1.717 0.496 -5.210) 5.508 29.590 ( -3.471 9.123 -3.633) 10.415 29.836 ( 0.469 -0.272 -11.470) 11.483 30.241 ( 5.064 -2.464 17.985) 18.846 30.424 ( -5.772 -2.224 1.625) 6.395 31.003 ( -1.150 -0.446 -16.460) 16.507 31.372 ( 0.020 3.425 14.632) 15.027 31.538 ( 19.724 4.121 -0.187) 20.151 31.939 ( 2.067 -0.796 -2.527) 3.360 32.351 ( -1.015 -0.539 -0.332) 1.197 45.697 ( -1.145 1.360 -1.069) 2.075 45.802 ( -0.376 -2.351 0.427) 2.419 48.116 ( -0.239 -0.776 3.291) 3.390 48.147 ( 0.287 1.633 -3.102) 3.517 48.415 ( 1.729 -0.254 -0.458) 1.807 48.747 ( -5.589 -1.856 -1.300) 6.031 48.948 ( -0.494 -1.004 -0.232) 1.143 49.575 ( 1.127 1.903 0.554) 2.280 88.043 ( -0.506 -2.176 -0.462) 2.281 88.195 ( 2.709 2.163 2.534) 4.294 88.986 ( -3.029 1.165 -4.093) 5.223 89.015 ( -0.069 -1.350 -1.923) 2.350 89.572 ( -2.602 5.310 2.127) 6.284 90.089 ( -2.506 -9.202 -1.490) 9.652 91.370 ( 1.488 -2.191 5.498) 6.102 92.180 ( -6.693 11.368 -6.763) 14.824 97.505 ( -0.130 -0.474 0.821) 0.957 97.608 ( 0.992 -0.290 0.059) 1.035 97.790 ( 0.696 -1.647 -2.415) 3.005 97.878 ( -0.313 3.157 1.211) 3.396 99.408 ( -3.828 -6.716 -3.167) 8.354 99.675 ( 1.532 -1.046 0.804) 2.022 99.886 ( -5.518 -2.974 1.918) 6.556 100.688 ( 15.544 7.100 4.878) 17.771 ======================= Grid point 11 (8/118) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -19.616 25.623 1.088) 32.288 1.643 ( -23.189 27.109 -12.050) 37.654 2.142 ( -26.122 29.707 -12.571) 41.508 2.822 ( 22.365 8.225 5.752) 24.513 3.890 ( 16.727 -6.774 1.797) 18.136 3.944 ( -6.568 -11.862 -8.010) 15.748 4.424 ( -2.130 -10.704 -2.177) 11.129 4.605 ( -6.646 -3.650 -0.939) 7.640 4.880 ( 2.815 -5.470 -3.852) 7.259 5.371 ( 1.949 2.542 1.901) 3.725 5.476 ( 3.398 -2.210 2.177) 4.601 5.584 ( -0.785 -10.178 2.044) 10.411 5.644 ( 2.225 6.369 2.110) 7.068 5.840 ( -1.411 6.666 1.691) 7.020 6.086 ( -4.183 3.075 -0.117) 5.193 6.403 ( 12.364 -2.399 -5.522) 13.752 6.534 ( -5.088 -4.958 -1.105) 7.190 6.707 ( -11.374 -0.124 5.474) 12.624 6.734 ( 3.356 0.195 3.751) 5.037 6.882 ( 8.369 -1.437 14.430) 16.743 6.990 ( 3.393 1.992 -1.607) 4.250 7.207 ( 2.176 -2.821 -1.654) 3.928 7.379 ( 3.974 2.994 1.770) 5.281 7.445 ( -1.060 -2.803 -5.379) 6.158 7.506 ( 0.256 -0.477 -0.312) 0.625 7.701 ( 1.638 -1.450 5.151) 5.597 7.933 ( -0.208 -1.181 -1.124) 1.644 8.063 ( -0.346 -0.253 -1.078) 1.160 8.213 ( 4.057 -0.231 -1.095) 4.208 8.407 ( 1.529 0.380 -4.474) 4.743 8.726 ( -1.535 -7.805 4.268) 9.027 8.877 ( -3.542 1.152 -3.648) 5.213 9.134 ( -7.223 -3.212 2.414) 8.266 9.387 ( 2.071 4.652 11.853) 12.901 9.605 ( 2.655 1.571 3.369) 4.568 9.855 ( 6.168 2.840 -3.913) 7.837 9.869 ( -8.253 2.805 -11.218) 14.207 10.586 ( -6.851 -2.664 -1.892) 7.591 10.844 ( -11.856 1.971 -1.803) 12.154 11.883 ( 8.240 -0.192 4.972) 9.626 12.116 ( -1.430 1.614 -2.678) 3.439 12.703 ( 1.907 6.401 9.642) 11.729 12.742 ( -0.027 -1.982 -4.840) 5.230 13.023 ( -3.204 -2.092 -10.024) 10.730 13.132 ( -3.827 1.660 -1.354) 4.386 13.570 ( -5.697 -3.788 -4.163) 8.008 13.837 ( 6.004 -1.095 1.676) 6.329 14.134 ( 0.247 0.372 1.546) 1.609 14.319 ( 1.535 1.135 1.837) 2.649 15.677 ( 10.015 -1.685 -0.674) 10.178 16.184 ( -5.764 0.906 4.023) 7.087 16.407 ( 0.233 -0.105 -1.647) 1.667 16.526 ( -0.282 -0.048 -2.045) 2.064 16.885 ( -1.499 -0.542 -1.509) 2.195 17.197 ( 16.601 2.758 9.391) 19.271 18.667 ( -31.268 -11.941 -6.303) 34.059 20.473 ( 17.654 10.868 -4.594) 21.234 20.857 ( -7.732 7.991 2.205) 11.336 21.395 ( 3.567 -6.350 6.292) 9.625 21.529 ( -3.410 0.095 2.186) 4.052 21.614 ( 0.543 -3.182 -4.579) 5.603 22.060 ( -4.122 -12.183 -3.713) 13.387 22.171 ( -1.818 -3.797 -2.406) 4.849 22.795 ( 6.369 8.197 7.529) 12.824 22.969 ( 1.810 10.268 -3.374) 10.958 23.835 ( 1.403 -3.792 -3.059) 5.070 24.409 ( 20.756 14.743 12.348) 28.295 24.805 ( 2.167 1.008 -0.121) 2.393 25.469 ( -4.338 6.657 -2.337) 8.282 26.474 ( -1.398 -6.973 -0.177) 7.114 26.858 ( 7.355 1.303 3.300) 8.166 27.167 ( -5.790 -2.185 -1.086) 6.283 27.293 ( -2.177 1.973 0.778) 3.039 27.568 ( 0.214 4.735 -0.551) 4.772 28.065 ( 2.451 -0.205 -1.296) 2.780 28.388 ( -14.853 -5.357 2.318) 15.959 28.648 ( 0.737 1.699 1.021) 2.114 28.776 ( -1.918 -17.527 -1.211) 17.674 29.414 ( -3.608 3.977 -3.665) 6.502 29.825 ( 3.681 2.791 -6.249) 7.771 30.314 ( -2.907 -0.238 -0.717) 3.003 30.499 ( 4.160 -4.917 16.439) 17.656 30.894 ( -3.631 -0.479 -16.051) 16.463 31.363 ( -0.586 4.761 7.742) 9.108 31.787 ( 18.012 6.946 -2.348) 19.447 32.012 ( 7.054 -1.254 -0.585) 7.189 32.353 ( -0.493 -1.653 0.651) 1.844 45.650 ( -1.329 0.995 -1.067) 1.973 45.841 ( -0.242 -2.843 1.633) 3.288 48.101 ( -0.214 2.149 -0.741) 2.283 48.156 ( 0.342 -2.010 0.906) 2.232 48.432 ( 2.187 2.609 0.039) 3.404 48.684 ( -7.101 -5.141 -0.920) 8.815 48.961 ( 0.127 -1.480 -0.012) 1.486 49.559 ( 0.422 2.680 0.204) 2.721 88.060 ( -0.387 -2.041 -0.288) 2.098 88.230 ( 4.181 3.077 4.140) 6.640 88.926 ( -2.097 -1.266 -4.770) 5.362 89.006 ( -2.726 -2.346 -5.399) 6.487 89.456 ( -2.284 4.616 -6.295) 8.133 90.186 ( 1.995 -10.091 -6.146) 11.982 91.410 ( 0.746 3.122 6.409) 7.167 91.869 ( -14.269 8.776 -0.417) 16.757 97.503 ( -0.039 0.789 -0.407) 0.889 97.641 ( 1.544 -1.109 0.680) 2.019 97.818 ( -0.201 -2.730 0.740) 2.836 97.847 ( 0.286 2.128 0.066) 2.148 99.419 ( -3.302 -6.778 -2.649) 7.991 99.664 ( 1.492 8.647 1.326) 8.874 99.870 ( -4.490 -8.717 -0.822) 9.840 100.883 ( 17.505 7.421 2.416) 19.165 ======================= Grid point 12 (9/118) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.000 30.174 -0.000) 30.174 0.913 ( -0.000 34.379 -0.000) 34.379 1.377 ( -0.000 49.005 -0.000) 49.005 2.837 ( -0.000 18.718 -0.000) 18.718 3.951 ( 0.000 -18.535 0.000) 18.535 4.332 ( 0.000 -11.569 0.000) 11.569 4.478 ( 0.000 -0.533 0.000) 0.533 4.570 ( 0.000 -11.702 0.000) 11.702 4.988 ( 0.000 -2.372 0.000) 2.372 5.388 ( -0.000 0.638 -0.000) 0.638 5.513 ( -0.000 1.975 -0.000) 1.975 5.595 ( -0.000 0.130 -0.000) 0.130 5.705 ( -0.000 5.446 -0.000) 5.446 5.740 ( 0.000 -7.690 0.000) 7.690 6.002 ( -0.000 4.442 -0.000) 4.442 6.523 ( -0.000 2.459 -0.000) 2.459 6.540 ( 0.000 -5.132 0.000) 5.132 6.616 ( 0.000 -3.255 0.000) 3.255 6.775 ( 0.000 -1.037 0.000) 1.037 6.987 ( -0.000 2.986 -0.000) 2.986 7.076 ( 0.000 -1.180 0.000) 1.180 7.273 ( 0.000 -2.815 0.000) 2.815 7.388 ( -0.000 2.719 -0.000) 2.719 7.415 ( 0.000 -0.249 0.000) 0.249 7.550 ( 0.000 -3.807 0.000) 3.807 7.781 ( 0.000 -4.971 0.000) 4.971 7.917 ( 0.000 -0.677 0.000) 0.677 8.027 ( -0.000 2.462 -0.000) 2.462 8.253 ( -0.000 4.170 -0.000) 4.170 8.403 ( 0.000 -1.549 0.000) 1.549 8.757 ( -0.000 3.375 -0.000) 3.375 8.855 ( 0.000 -9.459 0.000) 9.459 9.106 ( 0.000 -1.723 0.000) 1.723 9.386 ( -0.000 3.917 -0.000) 3.917 9.645 ( -0.000 2.232 -0.000) 2.232 9.678 ( -0.000 3.994 -0.000) 3.994 9.853 ( -0.000 1.395 -0.000) 1.395 10.602 ( -0.000 0.381 -0.000) 0.381 10.636 ( -0.000 1.513 -0.000) 1.513 11.997 ( 0.000 -0.240 0.000) 0.240 12.081 ( 0.000 -2.641 0.000) 2.641 12.607 ( -0.000 9.674 -0.000) 9.674 12.814 ( 0.000 -1.716 0.000) 1.716 12.951 ( 0.000 -2.108 0.000) 2.108 13.082 ( -0.000 1.466 -0.000) 1.466 13.554 ( 0.000 -2.731 0.000) 2.731 13.909 ( 0.000 -1.005 0.000) 1.005 14.116 ( -0.000 0.960 -0.000) 0.960 14.335 ( -0.000 0.590 -0.000) 0.590 15.805 ( 0.000 -1.633 0.000) 1.633 16.122 ( -0.000 0.517 -0.000) 0.517 16.411 ( 0.000 -0.751 0.000) 0.751 16.508 ( -0.000 1.116 -0.000) 1.116 16.873 ( 0.000 -0.602 0.000) 0.602 17.483 ( 0.000 -3.536 0.000) 3.536 18.337 ( 0.000 -1.938 0.000) 1.938 20.551 ( -0.000 7.658 -0.000) 7.658 20.649 ( -0.000 5.977 -0.000) 5.977 21.491 ( -0.000 1.175 -0.000) 1.175 21.520 ( 0.000 -4.760 0.000) 4.760 21.659 ( 0.000 -4.385 0.000) 4.385 22.181 ( 0.000 -2.045 0.000) 2.045 22.194 ( 0.000 -14.471 0.000) 14.471 22.753 ( -0.000 11.664 -0.000) 11.664 22.844 ( -0.000 7.329 -0.000) 7.329 23.872 ( 0.000 -2.255 0.000) 2.255 24.687 ( 0.000 -0.929 0.000) 0.929 24.769 ( -0.000 7.912 -0.000) 7.912 25.234 ( -0.000 8.058 -0.000) 8.058 26.567 ( 0.000 -8.825 0.000) 8.825 26.950 ( 0.000 -0.042 0.000) 0.042 27.086 ( -0.000 3.539 -0.000) 3.539 27.226 ( -0.000 3.176 -0.000) 3.176 27.534 ( -0.000 0.106 -0.000) 0.106 28.138 ( 0.000 -0.112 0.000) 0.112 28.276 ( 0.000 -6.107 0.000) 6.107 28.620 ( -0.000 3.596 -0.000) 3.596 28.958 ( 0.000 -12.562 0.000) 12.562 29.347 ( -0.000 1.536 -0.000) 1.536 29.808 ( -0.000 2.215 -0.000) 2.215 30.290 ( 0.000 -1.707 0.000) 1.707 30.694 ( 0.000 -5.719 0.000) 5.719 30.765 ( -0.000 2.630 -0.000) 2.630 31.313 ( -0.000 4.598 -0.000) 4.598 31.882 ( -0.000 1.935 -0.000) 1.935 32.167 ( 0.000 -2.717 0.000) 2.717 32.378 ( 0.000 -1.795 0.000) 1.795 45.626 ( -0.000 0.551 -0.000) 0.551 45.872 ( 0.000 -2.016 0.000) 2.016 48.072 ( -0.000 1.591 -0.000) 1.591 48.197 ( 0.000 -2.885 0.000) 2.885 48.414 ( -0.000 4.075 -0.000) 4.075 48.649 ( 0.000 -3.566 0.000) 3.566 48.982 ( 0.000 -1.307 0.000) 1.307 49.528 ( -0.000 2.532 -0.000) 2.532 88.081 ( 0.000 -1.765 0.000) 1.765 88.291 ( -0.000 0.210 -0.000) 0.210 88.861 ( -0.000 0.889 -0.000) 0.889 88.962 ( -0.000 0.143 -0.000) 0.143 89.354 ( -0.000 4.179 -0.000) 4.179 90.361 ( 0.000 -13.526 0.000) 13.526 91.419 ( -0.000 1.983 -0.000) 1.983 91.477 ( -0.000 18.374 -0.000) 18.374 97.485 ( -0.000 1.427 -0.000) 1.427 97.681 ( 0.000 -2.029 0.000) 2.029 97.816 ( -0.000 2.684 -0.000) 2.684 97.870 ( 0.000 -4.472 0.000) 4.472 99.461 ( 0.000 -5.258 0.000) 5.258 99.549 ( -0.000 9.622 -0.000) 9.622 99.942 ( 0.000 -7.828 0.000) 7.828 101.047 ( -0.000 0.808 -0.000) 0.808 ======================= Grid point 15 (10/118) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 25.881 -0.000 9.454) 27.554 2.303 ( -11.425 0.000 5.311) 12.599 2.398 ( 13.132 -0.000 8.550) 15.670 3.149 ( -33.153 0.000 -33.796) 47.342 3.271 ( 18.892 -0.000 1.695) 18.968 4.184 ( -11.160 0.000 -17.381) 20.655 4.269 ( 15.312 -0.000 11.200) 18.971 4.456 ( -7.890 0.000 4.713) 9.191 5.046 ( -3.369 0.000 -2.075) 3.957 5.049 ( -7.474 0.000 6.723) 10.053 5.464 ( 0.108 -0.000 2.865) 2.867 5.495 ( -10.708 0.000 -2.443) 10.983 5.946 ( 6.876 -0.000 7.842) 10.430 5.992 ( 3.856 -0.000 -2.873) 4.809 6.076 ( 8.236 -0.000 -9.173) 12.328 6.077 ( 15.068 -0.000 9.066) 17.585 6.472 ( 0.038 -0.000 1.328) 1.328 6.484 ( -6.470 0.000 4.695) 7.993 6.799 ( 1.500 -0.000 2.275) 2.725 6.860 ( 3.157 -0.000 -3.988) 5.087 7.011 ( -12.170 0.000 5.875) 13.514 7.124 ( -4.483 0.000 -1.141) 4.626 7.415 ( -7.001 0.000 -6.238) 9.377 7.447 ( 10.501 -0.000 -3.291) 11.004 7.501 ( -0.987 0.000 -0.039) 0.988 7.622 ( -1.828 0.000 5.487) 5.783 7.821 ( 11.185 -0.000 -4.232) 11.959 8.084 ( -7.917 0.000 8.101) 11.327 8.166 ( 1.257 -0.000 -2.251) 2.578 8.364 ( 5.607 -0.000 -8.266) 9.989 8.578 ( -2.935 0.000 4.686) 5.530 8.939 ( 0.915 -0.000 -3.453) 3.572 9.221 ( -7.653 0.000 -6.143) 9.813 9.350 ( 3.337 -0.000 10.496) 11.014 9.652 ( -0.886 0.000 8.894) 8.938 9.815 ( 9.402 -0.000 -1.241) 9.484 10.062 ( -3.970 0.000 -8.415) 9.305 10.719 ( -13.159 0.000 -1.735) 13.273 11.055 ( -5.554 0.000 -3.933) 6.806 11.733 ( 7.962 -0.000 1.080) 8.034 12.219 ( 2.526 -0.000 -3.232) 4.102 12.651 ( 1.404 -0.000 2.819) 3.150 12.727 ( -1.324 0.000 2.220) 2.585 13.120 ( -2.117 0.000 2.777) 3.492 13.276 ( -6.177 0.000 -4.531) 7.661 13.620 ( -8.631 0.000 -8.778) 12.311 13.691 ( 6.985 -0.000 3.437) 7.785 14.057 ( 4.838 -0.000 1.889) 5.194 14.331 ( 2.020 -0.000 0.596) 2.107 15.567 ( 2.982 -0.000 -4.938) 5.769 16.297 ( -5.990 0.000 7.409) 9.527 16.424 ( 0.079 -0.000 -4.594) 4.595 16.452 ( 5.003 -0.000 -2.128) 5.437 16.926 ( -3.200 0.000 3.187) 4.516 16.961 ( 9.916 -0.000 10.001) 14.083 18.917 ( -29.159 0.000 -1.325) 29.189 20.588 ( 16.462 -0.000 -1.753) 16.555 20.972 ( 4.138 -0.000 1.290) 4.334 21.418 ( -4.790 0.000 -3.964) 6.218 21.489 ( -4.294 0.000 4.275) 6.059 21.602 ( -3.029 0.000 -4.430) 5.367 21.780 ( -1.281 0.000 -4.934) 5.098 22.083 ( -0.755 0.000 0.849) 1.136 22.799 ( 5.807 -0.000 11.038) 12.472 23.221 ( 8.390 -0.000 -2.079) 8.644 23.604 ( 9.626 -0.000 -4.910) 10.806 24.475 ( 20.577 -0.000 11.191) 23.423 24.505 ( -5.292 0.000 0.103) 5.293 25.933 ( -1.326 0.000 0.015) 1.326 26.408 ( -5.240 0.000 -1.544) 5.462 26.897 ( 2.422 -0.000 1.445) 2.820 27.010 ( -0.294 0.000 2.693) 2.709 27.297 ( 1.306 -0.000 1.768) 2.198 27.780 ( 0.061 -0.000 -2.104) 2.105 28.054 ( 1.413 -0.000 0.707) 1.580 28.228 ( -0.985 0.000 -6.639) 6.712 28.436 ( -12.159 0.000 5.664) 13.413 28.724 ( -2.498 0.000 -4.055) 4.763 29.695 ( -10.360 0.000 -20.663) 23.115 29.887 ( 7.521 -0.000 6.809) 10.146 30.163 ( 1.698 -0.000 18.237) 18.316 30.405 ( -4.803 0.000 1.363) 4.992 30.995 ( -0.999 0.000 -18.719) 18.746 31.423 ( -0.978 0.000 18.038) 18.064 31.582 ( 22.105 -0.000 2.988) 22.306 31.928 ( 1.688 -0.000 -4.520) 4.825 32.345 ( -1.560 0.000 -1.169) 1.950 45.732 ( 1.520 -0.000 1.142) 1.901 45.753 ( -3.439 0.000 -2.698) 4.371 48.101 ( -0.230 0.000 3.292) 3.300 48.182 ( 0.452 -0.000 -2.897) 2.932 48.398 ( 2.176 -0.000 -1.199) 2.485 48.731 ( -6.438 0.000 -1.712) 6.661 48.931 ( -1.045 0.000 -0.383) 1.113 49.605 ( 1.554 -0.000 0.749) 1.725 88.011 ( -0.089 0.000 -0.033) 0.095 88.220 ( 2.579 -0.000 2.395) 3.519 88.998 ( 0.059 -0.000 -1.819) 1.820 89.013 ( -4.205 0.000 -6.286) 7.563 89.737 ( -5.853 0.000 19.061) 19.939 89.863 ( -3.296 0.000 -7.304) 8.013 91.337 ( 5.363 -0.000 4.123) 6.764 92.383 ( -7.831 0.000 -10.866) 13.394 97.492 ( -0.277 0.000 1.862) 1.883 97.604 ( 0.693 -0.000 -0.646) 0.947 97.776 ( 1.512 -0.000 -3.165) 3.507 97.928 ( -0.832 0.000 0.379) 0.914 99.305 ( -3.448 0.000 -2.414) 4.210 99.576 ( -0.396 0.000 0.313) 0.505 99.910 ( -0.573 0.000 4.697) 4.732 100.773 ( 13.414 -0.000 6.409) 14.867 ======================= Grid point 16 (11/118) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -16.715 14.924 4.268) 22.811 2.233 ( -24.103 16.698 -18.010) 34.411 2.530 ( 0.556 -0.179 -0.224) 0.626 2.843 ( 25.318 -3.235 9.671) 27.295 3.758 ( 28.526 -1.978 -4.508) 28.947 3.824 ( -21.345 -0.649 -12.452) 24.720 4.378 ( -0.807 3.593 2.528) 4.466 4.479 ( -0.586 -3.842 3.376) 5.148 4.793 ( -10.360 4.100 -3.438) 11.660 5.139 ( -2.920 -17.428 2.190) 17.807 5.431 ( -0.206 1.013 1.007) 1.443 5.469 ( 0.674 -1.484 0.993) 1.908 5.904 ( 2.842 10.181 1.246) 10.644 6.067 ( 3.830 3.817 -4.326) 6.925 6.104 ( -0.019 4.679 1.376) 4.877 6.338 ( 5.980 -4.009 -0.371) 7.209 6.450 ( -3.814 -2.693 3.683) 5.947 6.570 ( -0.694 -4.331 5.200) 6.803 6.793 ( 0.303 1.088 2.404) 2.656 6.869 ( 2.352 0.455 10.712) 10.977 6.945 ( 0.483 -4.231 -1.771) 4.612 7.109 ( 2.174 -3.570 -1.571) 4.466 7.340 ( -2.593 -0.522 -7.471) 7.925 7.427 ( -5.564 -1.314 1.119) 5.825 7.544 ( 5.522 0.867 -6.525) 8.592 7.700 ( 4.272 1.741 8.163) 9.376 7.951 ( 3.812 1.655 1.278) 4.348 8.025 ( -1.280 -2.660 4.108) 5.058 8.177 ( 1.108 -0.899 -3.143) 3.451 8.397 ( 1.983 -0.482 -5.915) 6.257 8.588 ( -0.989 -2.698 3.872) 4.822 8.910 ( -3.383 0.816 -4.050) 5.340 9.074 ( -5.738 -1.348 -2.952) 6.592 9.477 ( 5.685 1.655 14.621) 15.775 9.675 ( 1.415 2.915 7.311) 7.997 9.901 ( -7.522 0.283 -13.554) 15.504 9.926 ( 4.048 1.540 -4.258) 6.073 10.548 ( -3.477 -0.597 -1.930) 4.022 10.881 ( -12.262 0.746 -2.057) 12.456 11.890 ( 8.630 0.310 3.129) 9.185 12.211 ( 0.778 4.336 -2.652) 5.141 12.640 ( -3.169 -4.315 -2.635) 5.967 12.791 ( 4.504 0.800 8.253) 9.436 13.072 ( -1.971 3.859 -2.270) 4.892 13.166 ( -3.971 0.884 -2.065) 4.562 13.450 ( -8.129 -4.357 -7.397) 11.824 13.821 ( 5.885 -0.231 2.362) 6.346 14.146 ( 3.445 0.344 1.811) 3.907 14.336 ( -0.668 0.234 0.403) 0.814 15.657 ( 8.728 -0.170 -1.946) 8.944 16.206 ( -6.794 0.646 4.051) 7.936 16.407 ( -0.133 -0.057 -2.519) 2.524 16.517 ( 2.618 -0.347 -1.379) 2.979 16.884 ( -2.435 0.273 1.432) 2.839 17.191 ( 11.385 -1.185 7.880) 13.897 18.489 ( -22.967 -3.141 -3.196) 23.400 20.766 ( 15.106 9.967 -3.799) 18.492 21.037 ( -1.180 2.162 2.307) 3.375 21.271 ( -3.522 -0.104 1.240) 3.735 21.482 ( -4.165 -4.187 4.728) 7.565 21.558 ( -0.207 -1.005 -5.166) 5.267 21.790 ( -2.069 -6.569 -4.072) 8.001 22.091 ( -0.375 -1.988 -0.010) 2.023 22.924 ( 5.087 2.114 9.029) 10.577 23.228 ( 1.663 7.642 -4.623) 9.085 23.739 ( 5.174 -2.788 -3.117) 6.653 24.454 ( -2.959 -4.375 1.053) 5.386 24.873 ( 20.185 3.653 8.035) 22.030 25.830 ( -0.465 12.572 -0.103) 12.581 26.354 ( -2.193 -2.283 -0.077) 3.166 26.914 ( 3.463 2.657 2.669) 5.116 27.042 ( -2.757 -3.984 0.406) 4.862 27.324 ( 0.181 -0.234 0.884) 0.932 27.734 ( -0.162 5.004 -0.572) 5.039 28.070 ( 0.142 1.441 -0.513) 1.536 28.236 ( -12.506 -5.738 -0.791) 13.782 28.285 ( -3.353 -14.230 -1.774) 14.726 28.680 ( -0.699 0.434 -0.988) 1.286 29.486 ( -4.339 1.419 -11.852) 12.701 29.966 ( 4.318 6.175 3.569) 8.338 30.320 ( 2.046 -4.783 11.364) 12.498 30.335 ( -3.034 -1.295 2.240) 3.987 30.892 ( -1.888 0.078 -14.392) 14.515 31.459 ( -0.774 2.150 10.015) 10.273 31.898 ( 12.332 2.715 -0.617) 12.643 31.963 ( 5.827 -2.088 -0.730) 6.232 32.320 ( -1.303 -0.755 -0.200) 1.519 45.683 ( -1.850 1.363 -1.292) 2.637 45.772 ( 0.409 -2.188 0.601) 2.305 48.114 ( -0.261 -0.816 2.256) 2.413 48.164 ( 0.247 1.876 -2.064) 2.800 48.444 ( 3.059 -1.275 -0.869) 3.426 48.624 ( -5.983 -0.026 -0.646) 6.018 48.923 ( -0.512 -1.092 -0.206) 1.223 49.618 ( 0.828 1.428 0.421) 1.704 88.016 ( -0.120 -1.054 -0.090) 1.064 88.270 ( 2.386 0.542 2.179) 3.276 88.927 ( -2.534 0.534 -3.645) 4.472 88.983 ( -1.034 -0.295 -2.102) 2.361 89.630 ( -2.334 8.575 2.178) 9.150 89.897 ( -2.832 -11.136 0.327) 11.495 91.444 ( 4.658 0.651 3.794) 6.043 92.160 ( -6.970 8.086 -5.998) 12.245 97.498 ( -0.207 -0.632 0.689) 0.958 97.621 ( 0.946 -0.431 0.148) 1.050 97.784 ( 0.852 0.023 -1.854) 2.041 97.907 ( -0.496 1.596 0.648) 1.792 99.265 ( -2.976 -3.906 -1.825) 5.239 99.610 ( -0.308 -5.645 -0.020) 5.653 99.893 ( -0.497 4.226 2.117) 4.753 100.982 ( 9.718 1.509 3.767) 10.531 ======================= Grid point 17 (12/118) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.000 23.690 -0.000) 23.690 1.701 ( -0.000 24.990 -0.000) 24.990 2.370 ( -0.000 24.745 -0.000) 24.745 3.294 ( -0.000 10.644 -0.000) 10.644 3.465 ( 0.000 -14.490 0.000) 14.490 4.087 ( 0.000 -6.117 0.000) 6.117 4.347 ( 0.000 -0.630 0.000) 0.630 4.469 ( 0.000 -0.040 0.000) 0.040 4.738 ( 0.000 -12.035 0.000) 12.035 5.374 ( 0.000 -18.190 0.000) 18.190 5.417 ( -0.000 1.399 -0.000) 1.399 5.508 ( 0.000 -1.423 0.000) 1.423 5.816 ( -0.000 10.931 -0.000) 10.931 5.937 ( -0.000 11.811 -0.000) 11.811 6.064 ( -0.000 0.972 -0.000) 0.972 6.427 ( 0.000 -3.623 0.000) 3.623 6.502 ( 0.000 -3.498 0.000) 3.498 6.535 ( 0.000 -2.621 0.000) 2.621 6.798 ( -0.000 1.487 -0.000) 1.487 7.002 ( 0.000 -4.036 0.000) 4.036 7.032 ( 0.000 -1.587 0.000) 1.587 7.190 ( 0.000 -3.230 0.000) 3.230 7.293 ( 0.000 -4.448 0.000) 4.448 7.403 ( 0.000 -2.952 0.000) 2.952 7.559 ( -0.000 2.650 -0.000) 2.650 7.730 ( -0.000 1.478 -0.000) 1.478 7.933 ( -0.000 1.817 -0.000) 1.817 8.072 ( -0.000 0.981 -0.000) 0.981 8.233 ( 0.000 -5.345 0.000) 5.345 8.391 ( -0.000 0.172 -0.000) 0.172 8.644 ( 0.000 -4.883 0.000) 4.883 8.820 ( -0.000 1.271 -0.000) 1.271 9.056 ( 0.000 -1.976 0.000) 1.976 9.550 ( -0.000 7.319 -0.000) 7.319 9.680 ( -0.000 0.896 -0.000) 0.896 9.751 ( -0.000 1.259 -0.000) 1.259 9.903 ( -0.000 1.748 -0.000) 1.748 10.603 ( 0.000 -0.220 0.000) 0.220 10.680 ( -0.000 1.595 -0.000) 1.595 11.988 ( 0.000 -0.351 0.000) 0.351 12.125 ( -0.000 5.631 -0.000) 5.631 12.672 ( 0.000 -5.077 0.000) 5.077 12.896 ( 0.000 -1.920 0.000) 1.920 12.913 ( -0.000 9.596 -0.000) 9.596 13.116 ( -0.000 1.093 -0.000) 1.093 13.439 ( 0.000 -6.178 0.000) 6.178 13.886 ( 0.000 -0.626 0.000) 0.626 14.156 ( -0.000 1.924 -0.000) 1.924 14.337 ( 0.000 -0.531 0.000) 0.531 15.762 ( 0.000 -1.403 0.000) 1.403 16.137 ( -0.000 0.530 -0.000) 0.530 16.400 ( 0.000 -0.139 0.000) 0.139 16.531 ( -0.000 0.635 -0.000) 0.635 16.864 ( 0.000 -0.031 0.000) 0.031 17.376 ( 0.000 -4.044 0.000) 4.044 18.280 ( 0.000 -2.051 0.000) 2.051 20.809 ( -0.000 11.543 -0.000) 11.543 20.853 ( -0.000 9.028 -0.000) 9.028 21.352 ( 0.000 -7.811 0.000) 7.811 21.496 ( 0.000 -1.808 0.000) 1.808 21.569 ( 0.000 -2.472 0.000) 2.472 21.857 ( 0.000 -10.080 0.000) 10.080 22.117 ( 0.000 -2.598 0.000) 2.598 22.972 ( -0.000 2.900 -0.000) 2.900 23.083 ( -0.000 12.280 -0.000) 12.280 23.804 ( 0.000 -2.540 0.000) 2.540 24.529 ( 0.000 -8.882 0.000) 8.882 25.002 ( -0.000 8.518 -0.000) 8.518 25.621 ( -0.000 18.122 -0.000) 18.122 26.386 ( 0.000 -4.894 0.000) 4.894 26.966 ( -0.000 1.618 -0.000) 1.618 27.031 ( 0.000 -5.182 0.000) 5.182 27.308 ( -0.000 2.421 -0.000) 2.421 27.651 ( -0.000 7.092 -0.000) 7.092 28.102 ( 0.000 -6.126 0.000) 6.126 28.136 ( 0.000 -0.566 0.000) 0.566 28.497 ( 0.000 -20.624 0.000) 20.624 28.672 ( -0.000 0.431 -0.000) 0.431 29.399 ( -0.000 2.306 -0.000) 2.306 29.925 ( -0.000 6.622 -0.000) 6.622 30.287 ( -0.000 0.933 -0.000) 0.933 30.494 ( 0.000 -9.031 0.000) 9.031 30.820 ( -0.000 1.512 -0.000) 1.512 31.435 ( -0.000 4.040 -0.000) 4.040 31.931 ( -0.000 1.574 -0.000) 1.574 32.095 ( 0.000 -2.316 0.000) 2.316 32.327 ( 0.000 -1.827 0.000) 1.827 45.649 ( -0.000 1.134 -0.000) 1.134 45.808 ( 0.000 -2.627 0.000) 2.627 48.129 ( -0.000 2.619 -0.000) 2.619 48.135 ( 0.000 -1.779 0.000) 1.779 48.517 ( -0.000 3.530 -0.000) 3.530 48.536 ( 0.000 -4.597 0.000) 4.597 48.939 ( 0.000 -1.836 0.000) 1.836 49.600 ( -0.000 2.546 -0.000) 2.546 88.032 ( 0.000 -1.690 0.000) 1.690 88.296 ( -0.000 0.177 -0.000) 0.177 88.886 ( -0.000 0.901 -0.000) 0.901 88.965 ( -0.000 0.071 -0.000) 0.071 89.507 ( -0.000 7.569 -0.000) 7.569 90.025 ( 0.000 -12.277 0.000) 12.277 91.478 ( -0.000 2.178 -0.000) 2.178 91.928 ( -0.000 14.633 -0.000) 14.633 97.505 ( 0.000 -0.273 0.000) 0.273 97.641 ( 0.000 -1.095 0.000) 1.095 97.790 ( 0.000 -0.999 0.000) 0.999 97.881 ( -0.000 2.182 -0.000) 2.182 99.299 ( 0.000 -6.089 0.000) 6.089 99.704 ( 0.000 -9.062 0.000) 9.062 99.806 ( -0.000 8.570 -0.000) 8.570 101.069 ( -0.000 0.737 -0.000) 0.737 ======================= Grid point 23 (13/118) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 -0.000 0.000) 0.000 2.055 ( 0.000 -0.000 0.000) 0.000 2.615 ( 0.000 -0.000 0.000) 0.000 3.331 ( 0.000 -0.000 0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 4.040 ( 0.000 -0.000 0.000) 0.000 4.355 ( 0.000 -0.000 0.000) 0.000 4.471 ( 0.000 -0.000 0.000) 0.000 4.790 ( 0.000 -0.000 0.000) 0.000 4.894 ( -0.000 0.000 -0.000) 0.000 5.449 ( 0.000 -0.000 0.000) 0.000 5.473 ( 0.000 -0.000 0.000) 0.000 5.962 ( 0.000 -0.000 0.000) 0.000 6.126 ( -0.000 0.000 -0.000) 0.000 6.224 ( 0.000 -0.000 0.000) 0.000 6.295 ( -0.000 0.000 -0.000) 0.000 6.407 ( 0.000 -0.000 0.000) 0.000 6.506 ( 0.000 -0.000 0.000) 0.000 6.816 ( 0.000 -0.000 0.000) 0.000 6.868 ( 0.000 -0.000 0.000) 0.000 7.018 ( 0.000 -0.000 0.000) 0.000 7.137 ( 0.000 -0.000 0.000) 0.000 7.279 ( -0.000 0.000 -0.000) 0.000 7.336 ( 0.000 -0.000 0.000) 0.000 7.573 ( 0.000 -0.000 0.000) 0.000 7.789 ( 0.000 -0.000 0.000) 0.000 7.969 ( 0.000 -0.000 0.000) 0.000 8.083 ( 0.000 -0.000 0.000) 0.000 8.130 ( 0.000 -0.000 0.000) 0.000 8.393 ( 0.000 -0.000 0.000) 0.000 8.588 ( 0.000 -0.000 0.000) 0.000 8.832 ( 0.000 -0.000 0.000) 0.000 9.025 ( 0.000 -0.000 0.000) 0.000 9.677 ( 0.000 -0.000 0.000) 0.000 9.695 ( 0.000 -0.000 0.000) 0.000 9.746 ( 0.000 -0.000 0.000) 0.000 9.925 ( 0.000 -0.000 0.000) 0.000 10.599 ( 0.000 -0.000 0.000) 0.000 10.703 ( 0.000 -0.000 0.000) 0.000 11.983 ( 0.000 -0.000 0.000) 0.000 12.253 ( 0.000 -0.000 0.000) 0.000 12.557 ( 0.000 -0.000 0.000) 0.000 12.869 ( 0.000 -0.000 0.000) 0.000 13.099 ( 0.000 -0.000 0.000) 0.000 13.132 ( 0.000 -0.000 0.000) 0.000 13.300 ( 0.000 -0.000 0.000) 0.000 13.878 ( 0.000 -0.000 0.000) 0.000 14.188 ( 0.000 -0.000 0.000) 0.000 14.323 ( 0.000 -0.000 0.000) 0.000 15.743 ( 0.000 -0.000 0.000) 0.000 16.144 ( 0.000 -0.000 0.000) 0.000 16.399 ( 0.000 -0.000 0.000) 0.000 16.540 ( 0.000 -0.000 0.000) 0.000 16.866 ( 0.000 -0.000 0.000) 0.000 17.317 ( 0.000 -0.000 0.000) 0.000 18.251 ( 0.000 -0.000 0.000) 0.000 21.014 ( 0.000 -0.000 0.000) 0.000 21.058 ( -0.000 0.000 -0.000) 0.000 21.161 ( 0.000 -0.000 0.000) 0.000 21.421 ( 0.000 -0.000 0.000) 0.000 21.536 ( 0.000 -0.000 0.000) 0.000 21.736 ( 0.000 -0.000 0.000) 0.000 22.077 ( 0.000 -0.000 0.000) 0.000 23.007 ( 0.000 -0.000 0.000) 0.000 23.270 ( 0.000 -0.000 0.000) 0.000 23.767 ( 0.000 -0.000 0.000) 0.000 24.382 ( 0.000 -0.000 0.000) 0.000 25.125 ( 0.000 -0.000 0.000) 0.000 25.911 ( 0.000 -0.000 0.000) 0.000 26.323 ( 0.000 -0.000 0.000) 0.000 26.948 ( 0.000 -0.000 0.000) 0.000 27.013 ( 0.000 -0.000 0.000) 0.000 27.327 ( 0.000 -0.000 0.000) 0.000 27.770 ( 0.000 -0.000 0.000) 0.000 28.026 ( 0.000 -0.000 0.000) 0.000 28.116 ( -0.000 0.000 -0.000) 0.000 28.151 ( 0.000 -0.000 0.000) 0.000 28.671 ( 0.000 -0.000 0.000) 0.000 29.435 ( 0.000 -0.000 0.000) 0.000 30.064 ( 0.000 -0.000 0.000) 0.000 30.304 ( 0.000 -0.000 0.000) 0.000 30.324 ( 0.000 -0.000 0.000) 0.000 30.840 ( 0.000 -0.000 0.000) 0.000 31.490 ( 0.000 -0.000 0.000) 0.000 31.953 ( 0.000 -0.000 0.000) 0.000 32.064 ( 0.000 -0.000 0.000) 0.000 32.301 ( 0.000 -0.000 0.000) 0.000 45.671 ( 0.000 -0.000 0.000) 0.000 45.764 ( 0.000 -0.000 0.000) 0.000 48.111 ( 0.000 -0.000 0.000) 0.000 48.175 ( 0.000 -0.000 0.000) 0.000 48.462 ( 0.000 -0.000 0.000) 0.000 48.569 ( 0.000 -0.000 0.000) 0.000 48.909 ( 0.000 -0.000 0.000) 0.000 49.636 ( 0.000 -0.000 0.000) 0.000 88.009 ( 0.000 -0.000 0.000) 0.000 88.299 ( 0.000 -0.000 0.000) 0.000 88.899 ( 0.000 -0.000 0.000) 0.000 88.965 ( 0.000 -0.000 0.000) 0.000 89.727 ( -0.000 0.000 -0.000) 0.000 89.746 ( 0.000 -0.000 0.000) 0.000 91.509 ( 0.000 -0.000 0.000) 0.000 92.132 ( 0.000 -0.000 0.000) 0.000 97.493 ( 0.000 -0.000 0.000) 0.000 97.627 ( 0.000 -0.000 0.000) 0.000 97.790 ( 0.000 -0.000 0.000) 0.000 97.913 ( 0.000 -0.000 0.000) 0.000 99.209 ( 0.000 -0.000 0.000) 0.000 99.570 ( 0.000 -0.000 0.000) 0.000 99.925 ( 0.000 -0.000 0.000) 0.000 101.079 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 39 (14/118) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.474 -0.000 39.168) 39.171 0.844 ( 6.565 -0.000 41.863) 42.375 1.505 ( 7.971 -0.000 72.499) 72.936 2.643 ( -5.854 0.000 7.535) 9.542 4.187 ( 2.807 -0.000 -2.492) 3.753 4.550 ( -14.281 0.000 5.641) 15.355 4.702 ( 18.187 -0.000 8.494) 20.073 4.730 ( -0.597 0.000 7.741) 7.764 5.167 ( 5.229 -0.000 1.629) 5.477 5.179 ( 2.556 -0.000 -0.511) 2.607 5.419 ( -1.353 0.000 -1.053) 1.714 5.653 ( -2.772 0.000 0.247) 2.783 5.707 ( -4.480 0.000 -4.550) 6.386 5.846 ( -1.667 0.000 3.641) 4.004 5.890 ( -0.341 0.000 -4.395) 4.408 6.294 ( 6.411 -0.000 -10.922) 12.665 6.566 ( 3.046 -0.000 0.011) 3.046 6.574 ( -2.519 0.000 -11.098) 11.380 6.732 ( 3.843 -0.000 5.515) 6.722 6.828 ( -7.103 0.000 1.743) 7.313 7.032 ( -22.730 0.000 -8.727) 24.348 7.114 ( -2.316 0.000 -9.595) 9.871 7.360 ( 3.756 -0.000 -0.665) 3.814 7.588 ( 4.798 -0.000 8.541) 9.797 7.604 ( 1.733 -0.000 -8.139) 8.322 7.637 ( -7.653 0.000 4.664) 8.962 7.981 ( 8.528 -0.000 -8.549) 12.075 8.073 ( -6.109 0.000 7.080) 9.352 8.223 ( 5.496 -0.000 0.970) 5.581 8.508 ( 9.250 -0.000 6.324) 11.205 8.648 ( -0.175 0.000 -6.427) 6.430 8.947 ( -3.295 0.000 -2.854) 4.360 9.148 ( -8.361 0.000 -13.843) 16.172 9.414 ( -30.483 0.000 -9.691) 31.986 9.739 ( -18.289 0.000 3.721) 18.664 9.770 ( 8.989 -0.000 9.821) 13.314 9.915 ( 7.581 -0.000 5.733) 9.505 10.552 ( -1.872 0.000 -5.772) 6.068 10.746 ( 11.925 -0.000 5.178) 13.001 11.834 ( -5.197 0.000 -6.371) 8.221 12.313 ( -4.706 0.000 -3.473) 5.848 12.425 ( 3.245 -0.000 0.131) 3.247 12.723 ( 1.985 -0.000 4.750) 5.148 13.090 ( 3.596 -0.000 1.259) 3.810 13.522 ( 9.910 -0.000 -8.356) 12.963 13.564 ( 0.695 -0.000 -2.120) 2.231 13.936 ( 7.226 -0.000 -8.583) 11.220 14.178 ( -2.086 0.000 0.374) 2.120 14.279 ( -2.711 0.000 -4.034) 4.861 15.798 ( 3.501 -0.000 -3.328) 4.830 16.238 ( -4.438 0.000 9.714) 10.680 16.377 ( 0.691 -0.000 -4.481) 4.534 16.637 ( 0.972 -0.000 7.127) 7.193 16.901 ( 2.728 -0.000 1.863) 3.303 17.046 ( -16.576 0.000 5.425) 17.441 18.582 ( 52.389 -0.000 1.822) 52.421 20.452 ( 13.841 -0.000 0.193) 13.842 20.581 ( -11.628 0.000 1.380) 11.710 21.347 ( -2.191 0.000 -8.902) 9.168 21.531 ( 2.342 -0.000 -4.014) 4.647 21.884 ( -6.724 0.000 1.603) 6.912 21.897 ( 0.696 -0.000 -6.155) 6.194 22.342 ( -3.498 0.000 10.037) 10.630 22.563 ( 2.837 -0.000 7.711) 8.216 22.858 ( -7.429 0.000 -2.536) 7.850 23.078 ( -3.155 0.000 0.712) 3.234 23.930 ( 3.134 -0.000 2.524) 4.024 24.715 ( -2.074 0.000 6.347) 6.677 25.289 ( 23.054 -0.000 2.311) 23.169 26.668 ( 2.702 -0.000 -8.028) 8.470 26.958 ( 0.631 -0.000 1.605) 1.725 26.999 ( -4.012 0.000 0.728) 4.078 27.122 ( 3.792 -0.000 -5.454) 6.642 27.488 ( 1.998 -0.000 -7.010) 7.290 28.001 ( -1.244 0.000 -2.489) 2.783 28.358 ( -0.829 0.000 -0.689) 1.077 28.395 ( -3.441 0.000 -0.909) 3.559 28.574 ( 3.961 -0.000 1.937) 4.409 29.319 ( 5.427 -0.000 -0.568) 5.456 30.068 ( -0.428 0.000 -8.992) 9.002 30.326 ( 3.158 -0.000 -0.760) 3.248 30.718 ( -6.890 0.000 -4.128) 8.032 30.937 ( -1.082 0.000 -1.427) 1.790 31.158 ( -0.696 0.000 -6.308) 6.347 31.847 ( -7.764 0.000 -0.244) 7.768 32.357 ( 17.145 -0.000 8.792) 19.268 32.403 ( -1.441 0.000 0.395) 1.495 45.676 ( -0.660 0.000 5.393) 5.433 46.047 ( -12.735 0.000 3.002) 13.084 48.037 ( 1.823 -0.000 -1.389) 2.292 48.194 ( -1.003 0.000 -0.777) 1.269 48.315 ( 0.359 -0.000 -2.339) 2.367 48.693 ( 5.032 -0.000 -1.042) 5.139 48.974 ( 0.192 -0.000 -1.550) 1.562 49.491 ( -0.093 0.000 -0.089) 0.129 88.010 ( 0.144 -0.000 -0.356) 0.384 88.098 ( 1.040 -0.000 -0.860) 1.350 88.966 ( -0.461 0.000 0.624) 0.776 89.290 ( -3.851 0.000 -0.859) 3.945 89.948 ( -1.316 0.000 -5.175) 5.340 90.546 ( 107.690 -0.000 -0.771) 107.693 91.185 ( -0.268 0.000 2.726) 2.740 92.444 ( -63.388 0.000 1.954) 63.418 97.479 ( 0.842 -0.000 1.508) 1.727 97.666 ( -1.456 0.000 1.946) 2.430 97.751 ( -1.478 0.000 -0.608) 1.598 98.260 ( -17.320 0.000 1.779) 17.411 99.390 ( -0.511 0.000 -1.041) 1.160 99.589 ( 0.571 -0.000 -0.881) 1.049 100.006 ( 5.011 -0.000 -3.227) 5.960 100.134 ( 29.488 -0.000 1.233) 29.513 ======================= Grid point 40 (15/118) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 14.389 -11.103 30.167) 35.218 1.249 ( 9.760 -17.896 31.278) 37.334 2.423 ( 39.723 -8.361 53.486) 67.145 2.569 ( -10.710 -8.184 7.411) 15.383 4.118 ( -11.205 9.633 1.023) 14.812 4.314 ( -9.616 -2.012 5.329) 11.177 4.717 ( 0.190 6.365 7.832) 10.093 4.942 ( 6.010 4.248 9.681) 12.161 5.032 ( -10.682 7.257 5.127) 13.895 5.237 ( -0.861 -3.739 0.213) 3.843 5.403 ( -1.473 -1.373 -3.159) 3.746 5.644 ( 0.790 1.343 -4.338) 4.610 5.674 ( 2.070 0.516 -5.346) 5.756 5.777 ( -1.735 6.623 3.461) 7.672 5.934 ( 2.004 -7.945 -2.432) 8.547 6.365 ( 5.190 -2.498 -10.622) 12.083 6.512 ( -4.480 0.600 -9.536) 10.553 6.560 ( -3.531 -3.900 -0.651) 5.301 6.709 ( -4.709 4.212 -3.313) 7.134 6.773 ( 6.432 2.105 -2.337) 7.160 6.863 ( 0.168 -3.104 -0.132) 3.112 7.038 ( -3.310 -3.858 -10.070) 11.280 7.362 ( -3.929 -0.034 1.396) 4.170 7.498 ( -8.293 -0.148 -3.193) 8.888 7.534 ( -5.781 -0.839 0.160) 5.843 7.655 ( 6.250 3.017 -3.181) 7.635 8.014 ( -1.238 -0.576 2.862) 3.171 8.032 ( -1.420 -2.835 1.798) 3.645 8.269 ( -1.858 0.356 -1.033) 2.155 8.557 ( -1.649 5.515 3.373) 6.672 8.711 ( 2.012 -2.385 -3.082) 4.386 8.919 ( 3.826 1.878 -0.677) 4.315 9.074 ( 5.012 -2.180 -8.332) 9.964 9.134 ( -1.096 -0.520 -2.047) 2.380 9.633 ( -2.520 2.650 1.834) 4.091 9.918 ( -2.069 1.504 6.429) 6.919 9.989 ( 1.094 -2.999 7.041) 7.731 10.570 ( 10.967 0.257 -8.480) 13.865 10.939 ( 9.397 3.069 4.657) 10.928 11.718 ( -6.682 -2.797 -6.898) 10.003 12.209 ( -1.141 4.836 1.559) 5.208 12.514 ( 4.370 -1.494 0.464) 4.641 12.799 ( 1.134 -3.449 3.311) 4.914 13.163 ( 4.984 0.231 1.925) 5.348 13.364 ( -4.235 11.248 -2.113) 12.204 13.626 ( 2.100 -3.154 -3.014) 4.842 13.870 ( -10.706 5.266 -2.790) 12.253 14.018 ( 4.823 0.267 -7.546) 8.959 14.187 ( -6.122 -1.125 -6.340) 8.885 15.714 ( -6.102 3.828 -6.529) 9.722 16.240 ( 0.966 1.699 8.863) 9.076 16.401 ( 0.620 -3.122 -3.432) 4.680 16.655 ( 0.868 3.535 10.138) 10.771 16.841 ( -8.721 -7.238 4.706) 12.272 17.054 ( -1.737 -2.174 9.186) 9.598 19.240 ( 40.663 23.881 -12.529) 48.793 20.341 ( -20.570 -4.196 1.984) 21.087 20.688 ( 10.404 -4.121 0.220) 11.193 21.275 ( 0.872 1.854 -8.045) 8.302 21.538 ( -0.140 2.012 -3.477) 4.020 21.783 ( -2.394 3.547 -0.086) 4.280 22.000 ( 1.863 -10.997 -7.489) 13.434 22.405 ( -6.366 -10.356 3.540) 12.661 22.654 ( 1.391 -3.059 5.733) 6.645 22.709 ( -3.055 3.771 5.626) 7.430 23.296 ( -0.941 -26.045 -7.874) 27.225 23.997 ( 4.359 1.754 4.252) 6.337 24.742 ( -2.170 -5.080 5.920) 8.097 25.610 ( 17.123 10.686 -7.598) 21.566 26.649 ( 3.775 6.058 -5.167) 8.812 26.825 ( -10.690 1.028 0.420) 10.747 27.047 ( 2.312 -5.258 -1.016) 5.833 27.190 ( 4.036 -3.622 -4.211) 6.866 27.512 ( 6.199 4.220 -6.010) 9.610 27.999 ( -0.796 -2.992 -3.599) 4.748 28.429 ( 5.194 -1.002 -2.582) 5.886 28.458 ( 0.287 -13.890 -7.133) 15.617 28.689 ( 4.361 -3.452 2.683) 6.175 29.391 ( 9.273 8.155 0.097) 12.349 30.008 ( -0.934 -0.328 -11.895) 11.936 30.389 ( 2.685 3.680 -0.863) 4.636 30.441 ( -8.118 6.891 0.206) 10.650 30.909 ( -1.969 -0.405 -5.109) 5.490 31.156 ( -4.544 -9.562 -5.511) 11.935 31.734 ( -8.069 -2.799 7.296) 11.233 32.261 ( -13.414 6.923 15.624) 21.725 32.372 ( -1.062 0.290 -0.068) 1.103 45.705 ( 0.297 -0.726 6.041) 6.092 45.917 ( -4.646 1.052 4.622) 6.637 48.067 ( 2.068 -0.154 -1.055) 2.327 48.169 ( -1.206 0.476 -1.193) 1.762 48.329 ( 0.682 -2.170 -2.468) 3.356 48.787 ( 6.478 3.453 -4.982) 8.872 48.964 ( -0.278 0.178 -1.736) 1.767 49.503 ( 1.016 -0.785 -0.455) 1.362 88.029 ( -0.298 -2.580 -1.045) 2.799 88.114 ( 1.571 0.456 -0.406) 1.685 88.964 ( 0.259 0.295 0.266) 0.474 89.187 ( -4.741 2.228 -2.639) 5.865 89.840 ( -1.140 8.404 -2.931) 8.973 91.167 ( -25.931 -4.097 14.675) 30.076 91.337 ( -15.505 27.202 24.984) 40.057 91.630 ( 40.925 5.757 -21.214) 46.455 97.502 ( 0.608 -0.220 1.607) 1.733 97.644 ( -1.394 0.084 1.251) 1.875 97.746 ( -1.426 -2.572 -1.176) 3.167 98.035 ( -6.305 4.473 7.826) 11.001 99.414 ( -0.653 -5.423 -1.643) 5.704 99.602 ( 1.325 -0.103 0.516) 1.426 100.033 ( 2.938 1.830 -2.542) 4.295 100.414 ( -3.551 -10.286 -3.851) 11.543 ======================= Grid point 41 (16/118) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 15.970 -13.124 21.843) 30.073 1.822 ( 24.462 -16.203 13.065) 32.119 2.400 ( -15.437 -0.696 4.080) 15.983 3.251 ( 2.958 0.710 16.434) 16.713 3.818 ( 0.279 -0.871 28.585) 28.600 4.273 ( -5.919 2.682 1.311) 6.629 4.587 ( -16.952 2.590 1.247) 17.194 4.713 ( -12.232 -1.484 -0.857) 12.351 4.892 ( 1.468 14.180 4.863) 15.063 5.343 ( 2.649 -5.582 1.814) 6.439 5.413 ( 7.230 3.838 3.899) 9.066 5.546 ( -4.963 2.639 -2.253) 6.055 5.648 ( -1.368 4.594 4.568) 6.622 5.778 ( 7.968 2.702 -1.660) 8.576 6.063 ( 1.556 -6.585 -3.349) 7.550 6.202 ( -17.515 -2.503 -0.187) 17.694 6.475 ( -0.915 1.046 -5.267) 5.447 6.595 ( 5.744 -1.840 -0.981) 6.111 6.730 ( 6.821 -3.053 -7.344) 10.477 6.880 ( 11.717 5.617 -2.999) 13.335 6.896 ( 6.100 0.149 -5.785) 8.408 7.012 ( -3.491 -5.980 -7.132) 9.941 7.246 ( -5.832 0.451 -1.319) 5.996 7.439 ( -1.523 -4.377 -4.525) 6.478 7.527 ( 1.412 -2.170 3.035) 3.989 7.678 ( 2.822 4.626 0.447) 5.437 7.971 ( -8.598 0.455 1.738) 8.784 8.017 ( -0.946 -0.099 -1.667) 1.919 8.254 ( -0.636 -2.971 -1.123) 3.239 8.433 ( -5.398 3.963 2.493) 7.145 8.717 ( -0.209 -0.994 0.972) 1.406 8.934 ( -1.118 0.343 -0.266) 1.200 9.170 ( 7.225 0.021 -3.437) 8.001 9.250 ( 8.106 -3.278 0.044) 8.744 9.567 ( 0.459 4.456 -1.363) 4.682 9.782 ( -9.262 2.308 4.151) 10.408 10.076 ( 0.532 -1.976 -2.452) 3.194 10.755 ( 14.282 1.296 -7.390) 16.133 11.016 ( 0.260 -0.321 1.867) 1.912 11.651 ( -2.409 -2.744 -1.991) 4.159 12.166 ( -1.008 1.127 1.846) 2.386 12.592 ( 3.389 0.001 1.227) 3.604 12.845 ( -1.750 -2.039 0.649) 2.765 13.145 ( -1.641 8.428 -7.086) 11.133 13.297 ( 4.200 -1.917 6.552) 8.016 13.596 ( -5.414 1.601 -7.807) 9.634 13.748 ( 0.096 -1.936 -1.020) 2.190 14.037 ( -1.584 0.092 -3.692) 4.019 14.125 ( 3.527 -2.298 -9.252) 10.165 15.529 ( -6.495 2.337 -3.687) 7.825 16.299 ( 2.272 -0.029 7.384) 7.726 16.430 ( -0.241 -2.767 -1.655) 3.233 16.653 ( -3.443 1.255 8.927) 9.650 16.836 ( -0.174 -0.093 3.301) 3.307 17.065 ( -1.668 2.105 9.282) 9.662 19.459 ( 29.005 20.488 -5.929) 36.003 20.028 ( -27.047 -8.721 -0.915) 28.433 20.906 ( 7.306 -5.552 1.447) 9.290 21.229 ( 1.420 3.954 -6.021) 7.342 21.475 ( 0.386 1.819 -4.783) 5.132 21.743 ( 0.004 1.418 1.802) 2.293 22.108 ( -0.835 -9.677 -5.686) 11.255 22.367 ( -8.249 -1.802 1.967) 8.670 22.694 ( 3.508 6.072 8.943) 11.364 22.728 ( 0.124 -4.306 -0.515) 4.339 23.557 ( 1.462 -18.542 -7.880) 20.200 24.052 ( 4.804 5.437 4.250) 8.409 24.812 ( -2.274 -6.534 5.252) 8.686 25.587 ( 4.463 12.202 -2.546) 13.240 26.599 ( 0.451 4.183 -3.826) 5.687 26.674 ( -4.423 1.697 2.257) 5.248 27.157 ( 2.965 -5.414 -3.394) 7.045 27.281 ( 2.108 -4.209 -3.657) 5.961 27.505 ( 4.529 5.900 -5.818) 9.443 28.020 ( 0.329 -2.659 -3.086) 4.087 28.498 ( 6.092 2.495 -4.870) 8.189 28.629 ( -1.190 -17.736 -4.540) 18.347 28.790 ( 0.847 -1.757 6.084) 6.389 29.417 ( 10.567 11.608 -3.543) 16.093 29.847 ( -10.388 0.634 -20.888) 23.337 30.257 ( 1.517 3.970 7.300) 8.447 30.490 ( 4.575 0.878 0.611) 4.699 30.854 ( -0.874 -0.089 -7.992) 8.040 31.169 ( -4.715 -8.197 -4.894) 10.648 31.729 ( -2.271 -1.539 12.259) 12.562 32.037 ( -10.564 5.701 9.407) 15.251 32.366 ( -0.152 -0.553 1.052) 1.198 45.750 ( -0.109 -0.764 6.389) 6.436 45.866 ( -2.499 0.374 3.525) 4.337 48.081 ( 1.306 1.598 -3.150) 3.766 48.154 ( -0.356 -1.071 0.998) 1.507 48.360 ( 0.730 -2.259 -2.432) 3.399 48.790 ( 1.887 2.161 -3.606) 4.608 48.950 ( -0.191 0.094 -1.637) 1.650 49.527 ( 1.229 -0.141 -0.852) 1.502 88.050 ( -0.420 -2.360 -1.209) 2.685 88.130 ( 1.849 1.450 -0.237) 2.362 88.969 ( 0.594 0.102 -0.864) 1.054 89.077 ( -4.126 1.076 -1.834) 4.641 89.684 ( -2.738 8.666 -2.195) 9.350 90.646 ( -23.419 9.944 25.736) 36.189 91.343 ( 5.317 1.590 1.002) 5.639 91.950 ( 14.686 -1.660 -10.093) 17.897 97.506 ( 0.046 0.971 -0.271) 1.009 97.640 ( -1.211 -0.781 3.491) 3.776 97.762 ( -0.258 -3.592 -0.555) 3.644 97.952 ( -2.369 3.434 5.789) 7.136 99.470 ( -1.879 -7.243 -2.468) 7.879 99.627 ( 2.187 1.850 1.296) 3.144 100.035 ( 1.766 2.138 -3.138) 4.187 100.403 ( -2.710 -0.636 -2.221) 3.561 ======================= Grid point 42 (17/118) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -14.901 9.466 6.036) 18.657 2.235 ( 9.592 0.473 12.415) 15.696 2.521 ( 23.715 -10.219 10.882) 28.022 2.752 ( -31.539 11.554 -9.920) 35.023 3.686 ( -35.558 12.360 11.642) 39.404 4.268 ( 2.341 -8.014 10.078) 13.088 4.503 ( -4.178 -13.094 -0.818) 13.769 4.708 ( 2.408 -4.103 8.026) 9.330 4.781 ( 2.830 9.091 4.004) 10.329 5.312 ( -0.383 8.009 -6.471) 10.304 5.429 ( -0.911 2.440 0.433) 2.641 5.602 ( 5.110 1.067 6.818) 8.587 5.704 ( 5.139 -4.082 16.042) 17.333 5.894 ( 9.960 2.025 -2.571) 10.484 5.933 ( -10.875 -4.544 -1.678) 11.905 6.196 ( 0.414 -2.586 3.457) 4.337 6.448 ( 3.279 0.148 -2.237) 3.972 6.693 ( 5.671 1.061 -3.741) 6.876 6.779 ( -0.562 -0.941 -1.327) 1.720 6.894 ( -1.416 0.518 -2.541) 2.955 7.017 ( 3.911 -1.892 -6.348) 7.693 7.064 ( 9.740 0.061 -4.121) 10.576 7.227 ( 2.532 -0.529 -2.081) 3.320 7.485 ( 4.409 -1.666 -5.515) 7.254 7.586 ( -4.201 -2.272 0.971) 4.874 7.644 ( -1.252 0.216 5.374) 5.522 7.806 ( -5.837 -0.845 -0.587) 5.927 8.026 ( 2.220 -0.416 -3.303) 4.001 8.262 ( 1.556 2.677 -1.068) 3.275 8.325 ( -5.350 0.711 2.931) 6.142 8.773 ( 3.583 -0.047 2.885) 4.601 8.895 ( -3.449 -2.723 -1.619) 4.683 9.259 ( 4.003 -0.294 0.375) 4.031 9.419 ( 5.422 -3.205 5.462) 8.337 9.542 ( 4.361 4.212 -1.875) 6.346 9.646 ( -4.068 2.003 0.442) 4.556 10.007 ( -6.482 0.396 -9.526) 11.529 10.882 ( 5.187 1.444 -5.293) 7.550 10.984 ( -6.625 -4.521 -2.927) 8.538 11.698 ( 3.570 -2.290 2.390) 4.868 12.150 ( -2.191 -1.464 1.530) 3.047 12.642 ( 2.770 1.090 1.143) 3.189 12.804 ( -2.852 2.021 0.212) 3.502 12.984 ( -2.312 5.427 -9.620) 11.285 13.326 ( -6.858 -1.236 -1.905) 7.225 13.565 ( 7.697 -0.598 -2.357) 8.072 13.722 ( -4.548 -1.269 -4.236) 6.343 14.051 ( 3.098 -2.006 -0.285) 3.701 14.189 ( 5.275 -0.152 -6.949) 8.726 15.456 ( 0.191 -1.650 -0.546) 1.749 16.361 ( 0.173 -1.657 4.056) 4.385 16.452 ( -0.752 -1.463 2.346) 2.866 16.593 ( -5.605 1.149 6.848) 8.924 16.848 ( 2.782 3.819 0.582) 4.760 17.053 ( 0.953 5.121 10.936) 12.113 19.661 ( 6.729 4.882 -5.201) 9.806 19.679 ( -10.822 -3.466 -5.201) 12.497 20.990 ( -0.254 4.393 -1.194) 4.559 21.259 ( 4.904 -6.113 -0.234) 7.841 21.481 ( 2.857 -1.132 -6.189) 6.910 21.733 ( -0.871 1.541 4.540) 4.873 22.180 ( -2.869 -10.206 -4.213) 11.408 22.235 ( -6.979 1.412 -2.207) 7.454 22.714 ( 4.813 10.058 11.951) 16.345 22.766 ( 2.442 -0.057 -3.167) 4.000 23.729 ( 1.032 -9.929 -6.161) 11.730 24.030 ( 4.362 13.221 2.437) 14.134 24.849 ( -1.830 0.076 4.280) 4.655 25.515 ( -0.500 0.747 -1.369) 1.638 26.544 ( -3.498 -3.896 -3.558) 6.330 26.665 ( 5.109 3.973 3.875) 7.543 27.218 ( 2.100 0.445 -5.696) 6.087 27.301 ( 0.376 2.907 -2.602) 3.920 27.497 ( 1.529 -2.585 -5.903) 6.623 28.028 ( -0.629 -1.311 -3.667) 3.945 28.528 ( 5.066 3.900 -4.392) 7.756 28.765 ( -4.380 -5.691 -3.417) 7.953 28.850 ( 0.378 -6.774 8.944) 11.226 29.448 ( 10.910 6.723 -2.956) 13.151 29.545 ( -10.826 0.945 -22.244) 24.757 30.329 ( 4.609 1.614 4.798) 6.846 30.540 ( 1.457 -2.331 -0.467) 2.788 30.810 ( -0.206 1.007 -5.534) 5.629 31.183 ( 3.006 -0.095 -5.048) 5.876 31.738 ( -6.572 5.766 21.883) 23.565 31.895 ( -1.834 -1.444 -3.721) 4.393 32.386 ( -0.144 -1.580 2.058) 2.598 45.745 ( -3.035 0.903 4.491) 5.495 45.889 ( 0.619 -2.644 6.135) 6.709 48.054 ( 0.753 1.944 -3.749) 4.290 48.179 ( -0.084 -1.712 1.454) 2.247 48.380 ( 0.591 -0.455 -2.211) 2.333 48.789 ( 0.142 -2.091 -2.861) 3.547 48.944 ( 0.288 -0.363 -1.500) 1.570 49.533 ( 0.657 0.982 -1.156) 1.653 88.065 ( -0.344 -1.869 -1.250) 2.275 88.134 ( 2.315 3.223 -0.250) 3.976 88.952 ( -2.089 -0.667 -3.926) 4.497 89.027 ( -1.467 -1.036 -0.035) 1.797 89.518 ( -3.228 7.295 -1.806) 8.179 90.348 ( -11.544 6.715 11.818) 17.833 91.374 ( 4.301 6.671 -0.597) 7.959 92.157 ( 1.138 -15.149 0.375) 15.196 97.487 ( 0.201 1.472 -1.039) 1.813 97.645 ( -0.959 -0.446 3.170) 3.342 97.830 ( 0.557 -4.826 1.649) 5.130 97.911 ( -1.371 1.560 6.161) 6.502 99.504 ( -3.221 -6.589 -2.868) 7.875 99.623 ( 2.042 5.834 1.533) 6.368 100.009 ( -0.866 -0.266 -4.795) 4.880 100.342 ( 4.472 9.731 -4.588) 11.652 ======================= Grid point 43 (18/118) ======================= q-point: (-0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -22.354 20.485 7.006) 31.120 1.823 ( -41.849 16.623 -11.188) 46.398 2.453 ( -31.367 15.692 20.591) 40.671 2.549 ( 9.610 8.360 14.682) 19.437 3.599 ( 23.998 -9.114 8.540) 27.054 4.236 ( -11.212 -5.711 -2.650) 12.859 4.628 ( -3.232 -11.643 3.510) 12.583 4.794 ( 1.191 1.106 2.727) 3.174 4.823 ( -1.412 -5.575 5.375) 7.872 5.208 ( 3.594 5.917 -5.109) 8.604 5.395 ( 1.904 4.283 0.804) 4.755 5.672 ( -0.487 -3.090 2.586) 4.058 5.809 ( -3.816 -6.074 5.478) 9.025 5.926 ( -1.207 -3.087 2.955) 4.440 6.041 ( 8.687 6.371 1.230) 10.843 6.180 ( -0.994 0.345 -1.415) 1.763 6.535 ( 2.753 -0.024 -4.092) 4.932 6.723 ( -1.758 0.626 0.252) 1.883 6.799 ( 7.715 2.632 0.874) 8.198 6.891 ( 1.650 -1.097 0.193) 1.991 7.075 ( 0.057 -1.135 2.383) 2.640 7.148 ( 2.304 -0.601 -1.842) 3.010 7.208 ( 1.585 1.048 -0.223) 1.913 7.489 ( -4.218 -5.051 -3.771) 7.585 7.607 ( 3.348 -1.849 -1.550) 4.127 7.705 ( 5.104 -0.328 0.911) 5.195 7.787 ( -1.030 -0.172 0.042) 1.045 8.072 ( 4.314 -0.813 -2.905) 5.264 8.234 ( -1.455 0.796 0.638) 1.777 8.273 ( 1.563 4.340 2.719) 5.355 8.769 ( 0.829 3.344 -6.988) 7.791 8.935 ( -1.695 -6.860 2.496) 7.494 9.352 ( 4.255 -2.530 6.027) 7.799 9.533 ( -0.702 -2.150 0.151) 2.267 9.600 ( 5.179 -2.507 9.599) 11.191 9.635 ( 4.752 0.151 -3.393) 5.841 9.804 ( -7.099 3.118 -8.376) 11.413 10.813 ( -13.296 -8.112 -6.781) 16.988 10.917 ( -4.763 -0.300 -3.775) 6.085 11.822 ( 6.848 -0.590 2.172) 7.208 12.153 ( -2.745 -4.642 2.881) 6.114 12.642 ( -2.162 2.592 -6.935) 7.713 12.719 ( 1.443 7.208 6.582) 9.867 12.863 ( 0.373 2.399 -10.522) 10.799 13.208 ( -5.879 -0.036 -0.950) 5.955 13.621 ( -4.149 -2.298 -5.071) 6.944 13.730 ( 7.506 -0.771 -1.301) 7.657 14.100 ( 0.272 -0.990 -5.406) 5.503 14.247 ( 4.843 0.499 -1.092) 4.990 15.562 ( 6.608 -4.257 0.450) 7.874 16.379 ( -2.565 -2.461 0.946) 3.678 16.437 ( -4.768 0.486 6.117) 7.771 16.541 ( -1.500 0.804 5.657) 5.908 16.832 ( 2.192 3.844 -2.339) 5.005 17.078 ( 7.247 10.440 13.332) 18.419 19.291 ( -34.098 -16.954 -14.358) 40.697 19.920 ( 24.388 8.978 -3.960) 26.288 20.878 ( -3.315 5.844 0.225) 6.722 21.423 ( 1.874 -7.835 -5.388) 9.692 21.509 ( 1.783 -0.769 -6.149) 6.448 21.741 ( -0.286 -0.745 11.374) 11.402 22.102 ( -1.811 3.132 -8.318) 9.071 22.254 ( -3.027 -11.278 -1.282) 11.747 22.688 ( 3.683 12.369 8.119) 15.247 22.791 ( 4.730 4.993 1.718) 7.089 23.796 ( 2.553 3.110 -0.115) 4.026 23.880 ( 5.319 19.184 -4.618) 20.436 24.799 ( -1.886 4.651 4.664) 6.851 25.512 ( -6.152 -8.418 -7.536) 12.865 26.558 ( -1.360 -6.981 -4.383) 8.354 26.760 ( 8.315 1.901 4.066) 9.449 27.150 ( -0.161 7.192 -4.863) 8.683 27.228 ( 0.179 5.253 -5.845) 7.861 27.541 ( -1.963 -6.620 -5.574) 8.874 28.021 ( 0.328 -1.219 -2.485) 2.787 28.521 ( 2.277 4.350 -2.392) 5.462 28.648 ( -6.296 4.374 -1.925) 7.904 28.967 ( -1.795 -5.598 -5.423) 7.998 29.282 ( -6.725 0.255 -19.800) 20.913 29.630 ( 12.917 -2.402 10.390) 16.750 30.345 ( -1.972 -0.586 -2.239) 3.040 30.624 ( 2.733 -4.901 -5.819) 8.084 30.788 ( 1.826 2.648 8.224) 8.831 31.216 ( 11.816 11.284 -5.191) 17.144 31.614 ( -7.145 5.107 17.654) 19.718 31.927 ( 1.828 -1.154 -0.955) 2.363 32.412 ( -0.768 -1.897 2.088) 2.924 45.701 ( -2.946 0.734 4.277) 5.245 45.981 ( 0.701 -4.520 7.675) 8.935 48.030 ( 1.017 1.387 -3.181) 3.616 48.201 ( -0.354 -1.494 0.721) 1.697 48.369 ( 0.275 1.605 -2.033) 2.605 48.813 ( -2.440 -6.194 -4.575) 8.078 48.956 ( 0.948 -0.710 -1.242) 1.716 49.516 ( 0.225 1.792 -1.148) 2.140 88.076 ( -0.195 -1.548 -1.455) 2.134 88.123 ( 3.512 5.699 -0.782) 6.739 88.895 ( -3.144 -0.408 -3.864) 4.999 89.009 ( -2.113 -0.340 -1.120) 2.416 89.402 ( -1.744 3.820 3.230) 5.298 90.170 ( -4.299 5.844 1.355) 7.380 91.317 ( 2.487 10.005 0.126) 10.310 92.394 ( -8.929 -29.088 7.822) 31.417 97.470 ( 0.540 1.414 -0.548) 1.610 97.654 ( -0.323 -0.786 2.125) 2.289 97.843 ( -1.096 1.848 1.757) 2.776 97.990 ( 0.425 -7.741 9.625) 12.359 99.511 ( -3.107 -4.760 -2.057) 6.045 99.553 ( 0.195 8.202 0.425) 8.215 99.985 ( -0.470 -1.771 -5.319) 5.626 100.248 ( 11.885 21.948 -9.139) 26.580 ======================= Grid point 44 (19/118) ======================= q-point: (-0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -28.009 15.273 11.087) 33.774 0.974 ( -20.335 22.425 19.165) 35.829 1.733 ( -39.509 16.630 50.875) 66.527 2.665 ( 6.928 9.678 10.272) 15.722 4.145 ( -0.831 -9.185 -5.029) 10.505 4.239 ( 23.228 -6.910 7.142) 25.265 4.702 ( -4.327 -1.580 8.671) 9.818 4.712 ( -6.011 -2.027 1.153) 6.447 4.953 ( 4.639 -5.409 3.525) 7.950 5.200 ( 5.610 6.667 -3.483) 9.384 5.406 ( 2.485 -0.189 -0.617) 2.567 5.693 ( -2.448 -2.549 2.299) 4.216 5.827 ( -4.697 -1.917 -1.442) 5.274 5.904 ( -5.030 -0.228 2.255) 5.517 5.936 ( -6.167 4.473 4.083) 8.644 6.242 ( 8.620 1.818 -10.227) 13.498 6.527 ( 1.908 0.174 -3.883) 4.330 6.670 ( -3.246 0.336 -0.274) 3.275 6.750 ( -3.694 4.832 -4.730) 7.705 6.885 ( -2.409 -2.009 1.022) 3.299 7.169 ( 0.184 -0.480 -1.880) 1.949 7.252 ( 7.453 -1.428 -2.970) 8.150 7.321 ( 8.989 -0.560 11.977) 14.985 7.415 ( -6.885 -2.000 -7.465) 10.351 7.639 ( -1.556 0.045 -0.423) 1.613 7.735 ( -5.942 -0.942 2.606) 6.557 7.803 ( 10.476 1.334 -6.879) 12.604 8.126 ( -3.592 -1.745 6.445) 7.582 8.210 ( 0.954 2.923 2.937) 4.252 8.324 ( 10.102 2.175 -0.383) 10.340 8.705 ( -0.305 1.120 -8.927) 9.002 8.977 ( -2.492 -4.364 -1.112) 5.147 9.387 ( -11.130 -1.168 -8.988) 14.353 9.544 ( 3.095 -4.671 0.941) 5.681 9.636 ( 3.089 3.551 3.144) 5.660 9.747 ( 7.152 -1.312 3.045) 7.883 9.969 ( 3.998 -21.998 7.509) 23.585 10.608 ( -19.506 -8.523 -14.070) 25.517 10.779 ( -10.024 -0.203 -0.707) 10.050 11.910 ( 3.326 2.589 -2.781) 5.049 12.247 ( -1.786 -13.855 5.262) 14.928 12.472 ( -3.227 5.488 -4.831) 7.991 12.731 ( 1.221 2.020 -6.032) 6.477 12.888 ( 17.556 7.289 12.972) 23.013 13.159 ( 0.711 -0.285 8.389) 8.423 13.576 ( -1.702 -1.424 -2.363) 3.242 13.838 ( 5.785 -0.530 -3.674) 6.873 14.067 ( -1.452 -2.362 -4.344) 5.154 14.302 ( 2.056 0.367 -0.998) 2.315 15.723 ( 5.977 -2.353 -1.304) 6.554 16.320 ( -8.807 -0.075 8.606) 12.314 16.396 ( -0.086 -0.329 -3.873) 3.888 16.563 ( -0.481 -1.771 7.610) 7.828 16.823 ( 4.924 4.161 -1.734) 6.676 17.146 ( 15.870 18.391 12.183) 27.176 18.767 ( -43.706 -11.884 -24.220) 51.362 20.196 ( 20.270 3.990 -2.496) 20.810 20.744 ( -6.371 3.413 1.653) 7.414 21.418 ( -4.264 -2.929 -9.385) 10.716 21.525 ( 3.122 1.218 -3.875) 5.123 21.845 ( -0.518 -5.700 9.572) 11.152 22.017 ( 1.093 2.810 -12.964) 13.310 22.360 ( 0.417 -6.401 2.073) 6.741 22.590 ( 2.656 15.880 6.268) 17.278 22.817 ( 2.650 1.440 4.056) 5.054 23.550 ( 11.365 44.838 -12.352) 47.876 23.865 ( 2.473 -1.514 -0.947) 3.050 24.738 ( -2.150 2.737 6.096) 7.020 25.342 ( -18.090 -2.921 -14.170) 23.164 26.623 ( 0.915 -6.808 -6.571) 9.506 26.900 ( 8.184 2.209 2.656) 8.884 27.042 ( -1.279 3.716 -0.944) 4.042 27.134 ( 0.935 4.407 -7.035) 8.354 27.525 ( -3.643 -3.273 -6.792) 8.374 28.040 ( 1.472 0.797 -2.320) 2.861 28.446 ( -7.330 0.114 -0.016) 7.331 28.522 ( -0.122 1.704 -6.117) 6.351 28.731 ( -7.417 17.363 -16.425) 25.026 29.235 ( -0.041 -6.933 -4.822) 8.445 29.977 ( 9.220 -8.767 7.256) 14.647 30.308 ( -1.266 -1.191 -2.669) 3.185 30.671 ( -0.168 -8.250 -5.155) 9.730 30.912 ( 3.847 -1.481 12.489) 13.152 31.212 ( 10.136 14.659 -4.708) 18.433 31.689 ( 21.822 6.580 29.058) 36.930 31.935 ( -1.256 0.717 -0.449) 1.514 32.421 ( -1.514 -1.170 1.022) 2.169 45.675 ( -1.837 0.334 4.793) 5.144 46.091 ( -1.302 -7.181 6.316) 9.652 48.024 ( 1.426 0.786 -2.302) 2.820 48.211 ( -0.297 -0.492 -0.355) 0.675 48.336 ( 0.088 1.943 -2.135) 2.888 48.779 ( -8.751 -5.561 -8.856) 13.636 48.973 ( 0.774 -0.241 -1.497) 1.702 49.496 ( 0.446 1.302 -0.250) 1.399 88.068 ( 0.672 5.410 -4.197) 6.880 88.091 ( 1.125 1.551 -1.520) 2.446 88.972 ( 4.362 -0.768 6.915) 8.212 88.988 ( 14.448 -2.678 18.064) 23.286 89.383 ( 0.792 1.832 8.304) 8.541 90.059 ( 2.231 7.777 -4.668) 9.341 91.227 ( 0.881 7.983 1.736) 8.217 92.670 ( -22.602 -46.157 7.754) 51.975 97.466 ( 0.758 0.851 0.470) 1.233 97.668 ( -0.428 -0.769 1.321) 1.587 97.799 ( -1.373 2.601 0.993) 3.105 98.193 ( -0.228 -16.267 12.222) 20.348 99.445 ( -0.717 6.003 -0.404) 6.060 99.527 ( -0.243 -3.083 0.740) 3.180 99.980 ( 8.214 10.754 -6.342) 14.945 100.069 ( 14.756 31.211 -9.740) 35.871 ======================= Grid point 46 (20/118) ======================= q-point: ( 0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 20.463 -0.000 29.167) 35.629 1.568 ( 29.872 -0.000 17.868) 34.808 2.363 ( -7.766 0.000 5.277) 9.389 3.225 ( 23.408 -0.000 32.609) 40.141 3.912 ( -16.810 0.000 21.613) 27.381 4.188 ( -2.198 0.000 -8.296) 8.582 4.624 ( -34.618 0.000 -3.777) 34.823 4.782 ( -3.434 0.000 6.364) 7.231 5.128 ( -0.906 0.000 2.614) 2.767 5.211 ( -0.834 0.000 4.252) 4.333 5.435 ( 7.031 -0.000 11.103) 13.142 5.686 ( 6.315 -0.000 -6.528) 9.083 5.712 ( 4.110 -0.000 0.195) 4.115 5.858 ( 1.976 -0.000 -5.638) 5.974 5.896 ( 3.490 -0.000 2.855) 4.509 6.153 ( -20.708 0.000 -0.346) 20.711 6.497 ( 4.165 -0.000 -3.640) 5.531 6.510 ( -0.022 0.000 -6.168) 6.168 6.712 ( -0.590 0.000 -2.520) 2.588 6.878 ( 14.114 -0.000 -6.840) 15.685 6.924 ( -1.728 0.000 -8.016) 8.200 6.986 ( 8.533 -0.000 -1.862) 8.734 7.291 ( -5.561 0.000 1.356) 5.724 7.313 ( -2.393 0.000 -11.066) 11.322 7.494 ( 0.946 -0.000 2.957) 3.105 7.776 ( 3.251 -0.000 2.895) 4.353 7.951 ( -10.432 0.000 1.487) 10.537 8.014 ( 2.248 -0.000 -1.319) 2.607 8.187 ( -3.523 0.000 -2.935) 4.585 8.518 ( -8.822 0.000 5.072) 10.176 8.681 ( 0.065 -0.000 -2.663) 2.664 8.947 ( -1.642 0.000 0.431) 1.698 9.182 ( 6.043 -0.000 -5.995) 8.512 9.188 ( 10.262 -0.000 0.342) 10.267 9.633 ( 0.266 -0.000 -0.195) 0.330 9.845 ( -7.578 0.000 6.807) 10.186 10.031 ( 2.023 -0.000 -2.278) 3.046 10.766 ( 14.659 -0.000 -9.298) 17.359 11.037 ( -1.824 0.000 1.430) 2.318 11.601 ( -1.595 0.000 -3.328) 3.690 12.213 ( -2.252 0.000 0.715) 2.363 12.589 ( 4.243 -0.000 2.808) 5.088 12.788 ( -0.758 0.000 1.219) 1.435 13.263 ( 5.226 -0.000 -0.980) 5.317 13.312 ( -7.410 0.000 -2.165) 7.720 13.650 ( 3.223 -0.000 -2.128) 3.863 13.667 ( -9.560 0.000 -4.730) 10.666 14.038 ( -5.666 0.000 -6.083) 8.313 14.089 ( 7.384 -0.000 -7.965) 10.861 15.588 ( -7.120 0.000 -8.291) 10.929 16.333 ( 2.868 -0.000 6.371) 6.987 16.356 ( 0.212 -0.000 -4.189) 4.194 16.671 ( -7.676 0.000 15.025) 16.872 16.828 ( 5.750 -0.000 9.444) 11.056 17.080 ( -1.407 0.000 8.843) 8.954 19.869 ( 25.130 -0.000 -17.802) 30.797 19.911 ( -28.029 0.000 0.288) 28.031 20.791 ( 6.656 -0.000 -0.106) 6.657 21.291 ( 3.189 -0.000 -5.687) 6.521 21.559 ( 0.933 -0.000 -2.447) 2.619 21.762 ( -4.450 0.000 -2.398) 5.055 21.871 ( -1.000 0.000 1.804) 2.063 22.186 ( -6.501 0.000 2.082) 6.826 22.768 ( 3.873 -0.000 14.347) 14.861 22.839 ( 8.342 -0.000 -1.976) 8.573 23.219 ( 9.111 -0.000 -1.914) 9.310 24.125 ( 7.065 -0.000 4.703) 8.487 24.687 ( -3.496 0.000 5.894) 6.853 25.857 ( 7.198 -0.000 -7.400) 10.323 26.646 ( -10.389 0.000 -1.218) 10.460 26.745 ( 5.303 -0.000 -5.361) 7.541 27.031 ( 0.747 -0.000 1.517) 1.691 27.212 ( 3.684 -0.000 -3.938) 5.393 27.632 ( 6.271 -0.000 -5.250) 8.179 27.965 ( 1.335 -0.000 -3.370) 3.625 28.248 ( -3.412 0.000 -3.296) 4.744 28.533 ( 5.300 -0.000 -5.524) 7.656 28.780 ( 3.073 -0.000 6.523) 7.210 29.629 ( 10.951 -0.000 1.973) 11.127 29.847 ( -9.071 0.000 -20.718) 22.617 30.286 ( -7.001 0.000 -1.656) 7.194 30.504 ( 2.895 -0.000 0.804) 3.005 30.953 ( 8.363 -0.000 -3.532) 9.078 30.961 ( -6.063 0.000 -2.759) 6.662 31.689 ( -0.771 0.000 9.199) 9.231 32.133 ( -14.363 0.000 15.501) 21.132 32.360 ( -0.396 0.000 -0.506) 0.643 45.737 ( 0.717 -0.000 6.345) 6.386 45.872 ( -3.900 0.000 2.998) 4.919 48.101 ( 2.295 -0.000 -0.628) 2.379 48.147 ( -1.079 0.000 -1.365) 1.740 48.321 ( 1.325 -0.000 -2.563) 2.885 48.828 ( -0.375 0.000 -5.854) 5.866 48.949 ( -0.649 0.000 -1.860) 1.970 49.530 ( 2.538 -0.000 -0.636) 2.616 88.011 ( 0.021 -0.000 -0.248) 0.249 88.151 ( 2.394 -0.000 0.141) 2.399 88.974 ( 0.500 -0.000 0.016) 0.500 89.093 ( -5.393 0.000 -4.711) 7.161 89.845 ( -1.447 0.000 -8.215) 8.342 90.714 ( -33.536 0.000 31.732) 46.169 91.334 ( -2.263 0.000 12.492) 12.695 92.103 ( 17.445 -0.000 -29.209) 34.022 97.516 ( -0.061 0.000 1.557) 1.558 97.630 ( -1.082 0.000 2.664) 2.875 97.715 ( 0.235 -0.000 -1.606) 1.624 98.010 ( -3.528 0.000 5.860) 6.840 99.356 ( -1.196 0.000 -1.995) 2.326 99.587 ( -0.190 0.000 -0.707) 0.732 100.029 ( -1.904 0.000 1.209) 2.256 100.435 ( 7.267 -0.000 4.425) 8.509 ======================= Grid point 47 (21/118) ======================= q-point: ( 0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 18.262 -1.766 19.410) 26.709 2.216 ( 28.750 -6.265 7.626) 30.397 2.330 ( 5.852 1.342 5.104) 7.880 3.079 ( -28.252 9.659 2.004) 29.925 3.848 ( -38.843 -0.319 10.621) 40.270 4.097 ( -1.665 -3.176 -2.801) 4.550 4.297 ( 8.001 -4.607 12.608) 15.627 4.685 ( -5.665 3.106 6.393) 9.089 5.025 ( -3.585 8.344 1.351) 9.182 5.287 ( -0.067 -7.328 4.293) 8.493 5.522 ( -3.621 3.985 1.718) 5.652 5.737 ( 7.675 7.896 2.967) 11.404 5.751 ( -12.781 -5.342 -7.303) 15.660 5.817 ( 4.290 7.717 7.453) 11.554 5.957 ( 9.589 1.980 2.766) 10.175 6.063 ( 5.776 -8.189 5.765) 11.561 6.459 ( 0.001 1.095 -2.808) 3.013 6.573 ( 0.886 -7.052 -5.998) 9.300 6.741 ( 3.620 -1.185 0.118) 3.811 6.872 ( -4.017 -1.193 -2.679) 4.974 7.018 ( 5.467 -0.392 -5.518) 7.778 7.090 ( 8.487 1.526 -8.986) 12.454 7.212 ( -0.400 0.013 -1.615) 1.664 7.425 ( 14.724 -3.025 -10.527) 18.351 7.561 ( 1.251 0.563 5.938) 6.094 7.663 ( -17.352 0.339 -0.048) 17.356 7.794 ( -4.078 0.319 6.729) 7.875 8.052 ( 4.246 2.770 -6.047) 7.891 8.192 ( 1.387 -5.770 -2.665) 6.505 8.380 ( -7.960 2.205 5.235) 9.779 8.703 ( 0.122 -2.350 3.996) 4.637 8.905 ( -2.007 0.927 -1.407) 2.621 9.219 ( -0.182 -1.765 -3.123) 3.591 9.368 ( 8.672 -0.415 5.606) 10.334 9.650 ( 4.730 2.697 -2.206) 5.875 9.758 ( -2.740 4.407 3.819) 6.443 9.990 ( -4.830 -1.400 -10.201) 11.373 10.906 ( -7.693 -1.475 -2.913) 8.358 10.927 ( 3.819 1.385 -7.912) 8.894 11.640 ( 5.218 -1.582 1.086) 5.559 12.169 ( -1.449 1.729 0.245) 2.270 12.661 ( 2.474 0.291 1.941) 3.158 12.780 ( -1.423 -1.846 0.099) 2.332 13.149 ( -4.051 5.147 -6.567) 9.275 13.288 ( -4.095 -1.150 -1.458) 4.497 13.583 ( 2.080 1.728 -3.858) 4.712 13.653 ( -3.293 -3.521 -3.549) 5.986 14.008 ( 3.303 -1.127 -0.357) 3.508 14.180 ( 7.110 -0.320 -8.030) 10.730 15.466 ( -1.498 1.193 -3.628) 4.102 16.341 ( 0.510 -0.023 -2.101) 2.162 16.413 ( 2.016 -1.196 3.294) 4.043 16.609 ( -7.638 0.198 12.270) 14.454 16.951 ( 5.199 3.849 6.882) 9.445 17.093 ( -1.476 -1.380 10.342) 10.537 19.437 ( -31.682 -4.734 -1.971) 32.094 20.077 ( 22.216 13.641 -9.839) 27.865 20.928 ( 4.732 -6.241 -1.560) 7.986 21.301 ( 2.784 4.918 -3.236) 6.512 21.499 ( -0.235 4.122 -3.092) 5.158 21.715 ( -3.956 -4.758 1.276) 6.318 21.914 ( -3.659 -7.636 2.009) 8.702 22.136 ( -5.272 -4.729 -0.973) 7.148 22.883 ( 4.799 3.592 13.289) 14.578 22.922 ( 10.667 7.903 -5.483) 14.363 23.444 ( 8.349 -9.731 -3.643) 13.329 24.267 ( 11.090 4.846 3.346) 12.557 24.688 ( -4.434 -6.422 5.659) 9.640 25.813 ( 2.202 13.022 -2.635) 13.467 26.490 ( -7.048 -0.511 -1.953) 7.331 26.786 ( 4.996 3.841 -1.409) 6.457 27.087 ( 0.415 -5.670 0.398) 5.699 27.263 ( 2.772 -1.708 -4.672) 5.695 27.649 ( 3.886 6.359 -4.367) 8.638 27.994 ( 1.940 -1.098 -3.483) 4.135 28.296 ( -2.835 -15.978 -4.179) 16.757 28.571 ( 2.150 -1.210 -6.255) 6.724 28.805 ( -5.277 -0.446 8.342) 9.881 29.569 ( -10.317 0.705 -16.279) 19.286 29.734 ( 9.793 10.327 -1.674) 14.330 30.281 ( 1.795 -6.663 -3.659) 7.811 30.481 ( -3.685 0.993 -1.572) 4.127 30.864 ( -2.733 1.393 1.476) 3.404 31.177 ( 17.515 0.130 -5.080) 18.237 31.762 ( 2.715 -1.766 7.859) 8.500 31.948 ( -12.289 3.126 10.455) 16.434 32.357 ( -0.396 -0.569 0.491) 0.849 45.770 ( -0.996 0.932 5.645) 5.808 45.829 ( -2.645 -1.704 3.794) 4.929 48.104 ( 0.393 1.422 -4.136) 4.391 48.147 ( 0.604 -0.546 2.021) 2.179 48.346 ( 1.810 -1.487 -2.449) 3.389 48.767 ( -3.200 0.001 -4.297) 5.357 48.931 ( -0.592 -0.440 -1.814) 1.958 49.563 ( 2.273 0.906 -0.649) 2.532 88.017 ( -0.130 -1.210 -0.466) 1.303 88.191 ( 2.955 1.068 0.425) 3.171 88.967 ( -1.548 1.160 -2.419) 3.097 88.999 ( -2.719 -1.129 -2.161) 3.652 89.731 ( -2.079 6.875 -6.020) 9.371 90.391 ( -22.382 -1.663 22.867) 32.041 91.408 ( 2.163 -2.590 9.315) 9.907 92.112 ( 5.327 6.273 -18.571) 20.313 97.508 ( -0.741 0.208 -0.290) 0.823 97.640 ( -0.104 -0.044 4.253) 4.254 97.731 ( 1.103 -1.854 -0.472) 2.208 97.975 ( -2.120 1.931 4.582) 5.406 99.345 ( -2.602 -4.278 -2.358) 5.535 99.613 ( -0.108 -4.497 -1.011) 4.610 99.988 ( -3.183 1.305 1.034) 3.592 100.579 ( 11.791 5.295 0.847) 12.953 ======================= Grid point 48 (22/118) ======================= q-point: (-0.50 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -9.975 19.488 0.512) 21.899 2.311 ( -27.187 17.780 -8.849) 33.668 2.648 ( 19.354 -0.224 14.794) 24.361 2.721 ( -4.654 -0.110 17.218) 17.836 3.464 ( 2.944 -1.655 10.873) 11.386 4.062 ( -13.370 -11.093 -0.454) 17.378 4.380 ( -2.225 3.970 1.863) 4.918 4.707 ( -1.733 -4.529 11.280) 12.279 4.863 ( -4.425 4.341 1.509) 6.379 5.371 ( 0.734 4.971 -6.948) 8.574 5.420 ( -0.529 -6.348 3.246) 7.149 5.558 ( -8.705 -6.792 -0.029) 11.042 5.788 ( 2.536 9.091 7.756) 12.216 5.861 ( 3.422 -0.972 -1.428) 3.833 6.110 ( 6.052 -2.236 -1.642) 6.658 6.225 ( 3.987 4.545 3.599) 7.036 6.517 ( 1.613 -0.063 1.710) 2.351 6.651 ( 2.204 -6.039 -4.232) 7.696 6.830 ( 1.469 -2.061 2.506) 3.562 6.848 ( 5.085 -1.446 -0.228) 5.291 7.062 ( 1.891 -0.133 -0.415) 1.941 7.117 ( -3.378 -1.519 -2.449) 4.440 7.256 ( 7.895 1.313 -5.223) 9.557 7.358 ( -10.868 -4.739 -5.430) 13.040 7.596 ( -0.451 0.944 4.074) 4.207 7.679 ( 12.376 -1.301 -6.596) 14.084 7.787 ( -1.256 0.538 6.462) 6.604 8.062 ( 4.847 0.869 -5.091) 7.083 8.257 ( -6.660 1.262 6.647) 9.493 8.300 ( 3.989 -3.223 -1.381) 5.310 8.752 ( -3.454 -4.887 4.284) 7.360 8.851 ( -0.208 2.351 -4.404) 4.996 9.222 ( -3.626 -5.600 3.069) 7.343 9.524 ( 6.619 1.415 6.973) 9.718 9.649 ( -1.622 5.291 -2.730) 6.171 9.715 ( 6.129 3.327 -3.722) 7.905 9.849 ( -4.940 0.070 -7.508) 8.988 10.676 ( -14.688 -2.730 -5.106) 15.788 10.934 ( -1.983 0.599 -6.362) 6.691 11.792 ( 8.690 -1.220 2.775) 9.203 12.127 ( -0.898 1.910 -0.466) 2.161 12.657 ( -1.237 -0.408 -3.635) 3.861 12.834 ( 3.766 -1.327 4.502) 6.018 12.967 ( -4.298 8.018 -7.629) 11.873 13.206 ( -4.770 -0.221 -0.675) 4.823 13.520 ( -5.732 -5.028 -7.709) 10.843 13.725 ( 6.951 0.325 0.486) 6.976 14.090 ( 3.629 -0.036 -2.065) 4.175 14.244 ( 4.249 -0.582 -6.051) 7.417 15.504 ( 6.931 -0.753 0.860) 7.024 16.341 ( 0.049 -0.561 -1.741) 1.830 16.446 ( -3.344 0.012 5.976) 6.848 16.543 ( -3.938 -0.514 6.645) 7.741 16.937 ( -0.546 5.074 3.114) 5.978 17.204 ( 6.078 -0.248 11.359) 12.885 18.973 ( -32.134 -7.866 -4.675) 33.412 20.223 ( 21.230 13.320 -6.154) 25.807 21.023 ( -0.146 0.853 -1.821) 2.016 21.256 ( 1.461 -0.206 -3.327) 3.639 21.488 ( 2.108 -0.449 -3.028) 3.717 21.721 ( -4.238 -3.815 5.971) 8.256 21.959 ( -4.136 -8.973 2.247) 10.133 22.103 ( -2.584 -2.121 -3.872) 5.116 22.933 ( 7.676 9.812 -4.070) 13.105 22.959 ( 3.725 4.924 8.541) 10.539 23.654 ( 5.744 -7.047 -3.502) 9.742 24.380 ( 14.851 12.283 -0.020) 19.272 24.744 ( -3.670 -7.932 2.360) 9.053 25.630 ( -0.007 15.488 -0.202) 15.490 26.420 ( -3.281 -3.460 -2.451) 5.361 26.829 ( 6.116 3.074 1.911) 7.107 27.156 ( -2.364 -6.228 -1.194) 6.768 27.283 ( 1.039 0.337 -5.983) 6.082 27.580 ( 2.465 8.618 -4.369) 9.972 28.001 ( 0.826 0.133 -3.797) 3.888 28.450 ( -5.105 -16.904 -6.856) 18.943 28.597 ( 0.795 -4.588 -7.182) 8.560 28.696 ( -12.430 -4.442 5.633) 14.351 29.404 ( -1.171 4.074 -2.754) 5.055 29.725 ( 8.852 9.532 -6.212) 14.415 30.371 ( -2.850 1.681 -0.710) 3.384 30.416 ( -0.128 -10.184 -9.858) 14.174 30.844 ( -0.054 1.366 8.761) 8.867 31.438 ( 20.900 5.858 -8.300) 23.238 31.755 ( -9.579 4.701 13.280) 17.036 31.876 ( 4.035 -2.358 1.204) 4.826 32.365 ( -0.832 -1.476 1.401) 2.198 45.729 ( -3.124 1.412 4.253) 5.463 45.872 ( -0.771 -3.666 6.097) 7.156 48.073 ( 0.592 1.484 -3.992) 4.300 48.169 ( 0.034 -0.518 1.603) 1.685 48.387 ( 2.401 -0.669 -2.050) 3.227 48.698 ( -4.563 -2.241 -3.509) 6.177 48.929 ( 0.030 -1.204 -1.566) 1.976 49.572 ( 1.407 2.097 -0.716) 2.625 88.030 ( -0.161 -1.627 -0.793) 1.817 88.224 ( 3.312 2.154 -0.182) 3.955 88.902 ( -2.020 0.555 -1.651) 2.667 88.986 ( -1.235 -0.867 -0.655) 1.645 89.581 ( -1.253 8.441 -0.356) 8.541 90.204 ( -12.896 -2.625 9.515) 16.240 91.519 ( 3.756 0.844 7.911) 8.798 92.006 ( -4.135 0.954 -8.410) 9.420 97.494 ( -0.241 0.099 -0.961) 0.996 97.652 ( 0.153 0.732 2.839) 2.936 97.796 ( 1.080 -3.999 2.705) 4.947 97.936 ( -1.725 2.133 4.591) 5.349 99.353 ( -3.197 -6.131 -2.036) 7.208 99.674 ( 0.873 -4.012 -0.942) 4.212 99.895 ( -4.456 2.698 -1.000) 5.304 100.689 ( 14.608 10.263 -4.642) 18.446 ======================= Grid point 49 (23/118) ======================= q-point: (-0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -17.079 24.937 4.754) 30.596 1.663 ( -13.210 27.862 10.041) 32.429 2.343 ( -23.257 23.124 31.398) 45.402 3.017 ( 17.982 12.252 12.703) 25.196 3.815 ( -6.081 -12.866 -4.055) 14.797 4.016 ( 14.840 -8.381 9.582) 19.552 4.422 ( 0.161 -12.173 1.698) 12.292 4.691 ( -11.144 -0.197 9.212) 14.460 4.845 ( 3.339 -5.076 0.705) 6.116 5.327 ( 5.215 3.483 -6.471) 9.011 5.485 ( 0.913 2.168 0.304) 2.372 5.586 ( -2.544 -9.936 -1.407) 10.352 5.749 ( -1.953 3.846 4.753) 6.418 5.871 ( -2.535 -0.164 1.768) 3.095 6.097 ( -5.099 3.368 1.211) 6.230 6.280 ( 8.769 2.666 -6.141) 11.033 6.461 ( -3.385 -3.380 -4.226) 6.383 6.705 ( 0.683 0.409 -6.590) 6.638 6.780 ( -8.448 -3.628 1.666) 9.344 6.903 ( 1.308 3.586 -4.493) 5.896 7.120 ( 1.607 -2.576 2.607) 4.001 7.200 ( 2.422 -5.021 -1.212) 5.705 7.305 ( 1.807 -0.834 -6.012) 6.333 7.385 ( 9.025 0.539 4.435) 10.070 7.586 ( -3.304 -3.138 3.963) 6.039 7.722 ( -5.703 0.475 -0.111) 5.724 7.845 ( 10.323 1.710 -7.314) 12.766 8.121 ( -1.664 0.902 5.138) 5.475 8.216 ( 3.386 -1.344 0.821) 3.734 8.391 ( 3.846 0.426 2.754) 4.750 8.738 ( -2.980 -1.366 -5.542) 6.439 8.808 ( -2.870 -3.415 0.898) 4.550 9.282 ( -6.162 -9.519 7.795) 13.761 9.436 ( -7.818 4.737 -10.602) 13.998 9.623 ( 0.404 -1.162 -4.731) 4.889 9.739 ( 5.151 2.623 6.974) 9.058 9.859 ( 4.795 2.501 2.925) 6.148 10.523 ( -1.912 -1.054 -3.175) 3.853 10.794 ( -10.149 0.710 -3.691) 10.823 11.939 ( 5.362 0.041 -0.586) 5.394 12.092 ( -0.902 0.139 1.459) 1.721 12.626 ( -0.324 2.827 -6.875) 7.440 12.757 ( -2.548 3.108 -8.494) 9.397 12.963 ( 6.153 0.395 9.214) 11.086 13.154 ( -1.925 -0.056 3.455) 3.956 13.498 ( -1.349 -4.711 -3.009) 5.750 13.825 ( 5.318 -0.204 -2.672) 5.955 14.070 ( -0.736 1.956 -7.761) 8.038 14.293 ( 2.047 -1.139 -2.848) 3.687 15.673 ( 8.629 -1.680 1.107) 8.860 16.317 ( -6.423 0.099 6.011) 8.797 16.389 ( -1.474 -0.299 0.651) 1.639 16.553 ( -0.126 -0.296 4.292) 4.304 16.886 ( 0.060 2.860 2.386) 3.724 17.373 ( 8.597 0.577 5.883) 10.433 18.537 ( -27.049 -5.869 -4.615) 28.061 20.383 ( 18.552 9.902 -3.761) 21.363 20.898 ( -5.723 7.570 1.353) 9.586 21.300 ( -0.021 -5.343 -9.863) 11.218 21.517 ( 1.260 -1.018 -1.753) 2.387 21.740 ( -3.439 -4.164 7.717) 9.419 22.045 ( 0.033 -6.067 -0.785) 6.118 22.093 ( 0.661 -4.648 -0.247) 4.701 22.868 ( 0.887 7.728 -4.927) 9.208 22.968 ( 2.351 7.928 7.715) 11.310 23.791 ( 4.139 -3.782 -1.264) 5.748 24.444 ( 19.728 20.725 -13.799) 31.767 24.737 ( -6.893 -4.621 0.707) 8.329 25.427 ( -3.192 12.584 0.010) 12.983 26.438 ( -0.596 -6.199 -3.819) 7.305 26.932 ( 7.231 0.810 3.186) 7.943 27.126 ( -6.197 -1.834 -2.518) 6.935 27.230 ( -0.621 3.098 -7.120) 7.790 27.499 ( 1.583 4.856 -5.640) 7.608 28.029 ( 3.957 -1.226 -1.987) 4.594 28.361 ( -14.625 -6.430 -5.509) 16.900 28.598 ( 1.807 3.171 -3.376) 4.972 28.769 ( -2.066 -17.661 -0.885) 17.803 29.305 ( 2.608 12.910 -6.105) 14.517 29.798 ( 7.103 -2.508 2.420) 7.913 30.292 ( -2.307 0.543 -1.096) 2.611 30.475 ( -2.648 -8.502 -12.006) 14.948 30.911 ( 2.768 0.560 12.738) 13.047 31.481 ( -1.365 7.916 -3.579) 8.794 31.811 ( 16.868 1.869 6.129) 18.043 31.949 ( 1.690 -0.090 -0.398) 1.738 32.377 ( -1.196 -1.911 1.279) 2.592 45.692 ( -1.927 0.945 4.975) 5.418 45.932 ( -2.495 -4.696 6.480) 8.383 48.053 ( 1.156 1.177 -3.228) 3.625 48.179 ( -0.465 -1.032 0.597) 1.279 48.411 ( 2.718 2.655 -2.054) 4.319 48.641 ( -5.342 -4.380 -2.992) 7.529 48.947 ( 0.542 -1.614 -1.341) 2.167 49.552 ( 0.568 2.709 -0.749) 2.867 88.047 ( 0.125 -1.696 -1.038) 1.992 88.228 ( 1.625 3.352 -4.305) 5.693 88.910 ( 2.749 -1.862 6.333) 7.150 88.973 ( -0.067 0.059 1.391) 1.394 89.504 ( 2.353 6.590 8.613) 11.097 90.125 ( -2.309 -3.383 -1.865) 4.501 91.548 ( 5.796 11.943 3.826) 13.816 91.883 ( -18.168 -11.294 5.157) 22.005 97.489 ( 0.337 0.306 -0.583) 0.739 97.657 ( 0.200 0.463 1.314) 1.407 97.854 ( -0.467 -0.095 1.391) 1.471 97.934 ( -1.904 -4.050 8.081) 9.237 99.391 ( -1.022 -6.608 -0.027) 6.687 99.675 ( 0.573 8.648 -0.175) 8.669 99.829 ( -2.826 -7.445 -3.006) 8.512 100.755 ( 15.891 12.978 -13.276) 24.438 ======================= Grid point 50 (24/118) ======================= q-point: (-0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 2.449 22.233 27.170) 35.192 1.300 ( 7.740 26.417 23.714) 36.333 1.933 ( 2.038 27.250 52.617) 59.289 2.899 ( -8.123 17.346 5.844) 20.026 3.967 ( 4.537 -15.259 1.798) 16.021 4.414 ( -3.576 -10.464 6.652) 12.905 4.576 ( 0.014 -3.135 8.725) 9.271 4.649 ( 4.807 -11.008 7.277) 14.045 5.012 ( 5.249 -4.765 1.937) 7.349 5.324 ( -0.280 4.711 -3.596) 5.933 5.443 ( 0.518 1.034 -4.730) 4.870 5.625 ( -0.766 -2.374 -1.070) 2.714 5.670 ( -5.499 -3.588 -3.886) 7.630 5.812 ( -5.333 1.618 7.516) 9.357 5.998 ( 0.908 5.716 -0.165) 5.790 6.322 ( 6.276 0.930 -12.932) 14.404 6.558 ( 7.166 -4.639 -0.982) 8.593 6.603 ( -1.185 3.102 -6.780) 7.550 6.736 ( -10.406 -4.042 -1.280) 11.236 6.811 ( -1.914 2.122 -5.775) 6.444 7.061 ( -13.095 -0.169 -6.771) 14.743 7.171 ( -0.510 2.815 -5.175) 5.913 7.357 ( 5.652 1.277 -4.227) 7.173 7.556 ( 4.365 -1.826 8.282) 9.539 7.578 ( -1.991 -1.717 -4.580) 5.281 7.614 ( -7.203 -1.721 0.943) 7.466 7.994 ( 10.655 -1.094 -3.784) 11.360 8.060 ( -5.588 0.401 6.851) 8.850 8.272 ( -0.302 2.481 0.316) 2.519 8.466 ( 3.657 -1.745 4.281) 5.895 8.690 ( 2.636 1.705 -5.458) 6.297 8.851 ( -1.302 -5.543 1.867) 5.992 9.175 ( -7.478 1.511 -11.903) 14.138 9.264 ( -13.136 -4.226 1.099) 13.843 9.626 ( -2.635 -4.341 0.962) 5.168 9.840 ( 6.153 3.898 7.768) 10.649 9.931 ( 6.122 1.757 7.113) 9.547 10.570 ( -3.322 1.123 -6.096) 7.032 10.677 ( 9.105 -1.687 6.199) 11.143 11.902 ( -5.422 1.879 -7.004) 9.054 12.135 ( 0.975 -3.404 3.549) 5.014 12.507 ( 1.291 4.954 -5.239) 7.325 12.777 ( 3.568 -0.118 0.456) 3.599 13.081 ( 3.625 -0.779 2.139) 4.280 13.224 ( 1.830 -7.607 8.121) 11.276 13.576 ( 4.885 -2.462 2.079) 5.852 13.876 ( 0.548 -2.748 -3.090) 4.172 14.002 ( 0.988 0.751 -8.435) 8.526 14.288 ( -2.186 -0.277 -4.056) 4.616 15.769 ( -0.254 -1.170 -2.487) 2.760 16.226 ( -5.956 0.136 9.062) 10.845 16.408 ( 2.201 0.315 -1.263) 2.557 16.579 ( 0.235 -0.550 6.264) 6.293 16.902 ( 2.117 0.177 2.913) 3.605 17.346 ( -15.316 3.742 -7.824) 17.601 18.436 ( 18.351 -5.351 6.501) 20.190 20.544 ( 14.546 6.349 -0.816) 15.892 20.671 ( -11.815 6.669 2.085) 13.727 21.290 ( -0.881 -2.873 -10.316) 10.745 21.535 ( -0.172 -1.660 -2.257) 2.807 21.769 ( -3.289 -4.967 2.736) 6.555 22.062 ( 4.698 3.492 -7.622) 9.611 22.284 ( 3.234 -11.488 8.486) 14.644 22.739 ( -3.741 4.667 -1.536) 6.175 22.889 ( -1.480 11.266 4.199) 12.113 23.885 ( 3.724 -0.234 -1.245) 3.934 24.067 ( -12.376 32.261 -36.045) 49.932 24.781 ( 2.520 0.748 5.816) 6.383 25.289 ( 8.546 5.303 2.782) 10.435 26.524 ( 2.060 -8.007 -4.062) 9.212 26.971 ( -7.679 -0.676 1.032) 7.778 27.065 ( 3.903 3.824 -2.253) 5.910 27.175 ( 3.774 2.260 -4.207) 6.087 27.454 ( 1.368 0.808 -7.069) 7.246 28.072 ( -0.143 1.667 -4.963) 5.238 28.285 ( 1.655 -5.171 0.185) 5.432 28.571 ( 1.829 3.804 -0.852) 4.306 28.854 ( -1.253 7.844 -7.405) 10.859 29.187 ( 5.268 -0.078 -6.173) 8.116 29.978 ( 3.153 -6.113 1.798) 7.109 30.296 ( 2.649 -1.289 0.383) 2.970 30.460 ( -6.821 -9.718 -6.546) 13.558 30.973 ( -0.252 1.226 2.579) 2.866 31.333 ( -1.903 7.709 -2.172) 8.232 31.902 ( -5.025 2.820 -2.484) 6.274 32.146 ( 8.961 -9.243 8.050) 15.183 32.382 ( -1.275 -1.355 0.518) 1.932 45.687 ( -0.388 0.757 5.691) 5.754 45.953 ( -5.658 -4.036 6.021) 9.196 48.051 ( 1.524 0.741 -2.152) 2.739 48.184 ( -0.995 -1.250 -0.849) 1.809 48.378 ( 0.333 4.184 -2.922) 5.114 48.645 ( 2.735 -3.374 -0.550) 4.378 48.966 ( 0.234 -1.024 -1.538) 1.863 49.521 ( -0.009 2.189 -0.622) 2.275 88.066 ( 0.401 -0.790 -1.504) 1.745 88.138 ( -1.290 5.072 -4.802) 7.103 88.957 ( -0.457 -0.871 0.324) 1.035 89.153 ( 2.949 -9.054 5.551) 11.022 89.650 ( 8.200 -6.350 18.987) 21.635 90.365 ( 32.157 -13.972 0.411) 35.064 91.445 ( 4.081 17.204 -1.422) 17.739 91.703 ( -32.555 -15.115 21.935) 42.065 97.492 ( 0.628 0.489 0.470) 0.924 97.657 ( -0.452 0.005 0.284) 0.534 97.816 ( -1.631 2.705 0.002) 3.159 98.009 ( -4.939 -8.117 9.018) 13.100 99.492 ( 2.115 -4.048 2.167) 5.055 99.541 ( -0.194 7.509 -0.487) 7.528 99.920 ( 2.090 -7.521 -2.082) 8.079 100.704 ( 6.942 15.405 -23.198) 28.699 ======================= Grid point 53 (25/118) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 11.058 -0.000 2.531) 11.343 2.486 ( -12.018 0.000 -19.291) 22.729 2.602 ( 21.460 -0.000 15.337) 26.377 2.704 ( -19.628 0.000 24.929) 31.729 3.419 ( -3.306 0.000 11.943) 12.392 3.886 ( -11.878 0.000 -9.307) 15.090 4.573 ( 9.055 -0.000 17.824) 19.992 4.611 ( -8.106 0.000 8.960) 12.082 5.031 ( -5.702 0.000 0.068) 5.702 5.121 ( -14.012 0.000 -0.155) 14.013 5.477 ( -4.060 0.000 1.520) 4.335 5.480 ( -4.805 0.000 -2.618) 5.472 5.863 ( 4.338 -0.000 -9.821) 10.737 5.980 ( 5.171 -0.000 0.119) 5.173 6.056 ( 4.051 -0.000 4.941) 6.389 6.304 ( 5.163 -0.000 4.754) 7.018 6.507 ( 1.501 -0.000 -3.172) 3.509 6.548 ( 11.596 -0.000 10.742) 15.807 6.785 ( 0.436 -0.000 -3.236) 3.265 6.797 ( -0.565 0.000 -0.975) 1.127 7.064 ( 2.659 -0.000 -0.396) 2.688 7.083 ( -1.780 0.000 -3.954) 4.336 7.269 ( 8.176 -0.000 -6.977) 10.748 7.291 ( -17.114 0.000 -5.332) 17.925 7.618 ( -3.191 0.000 6.613) 7.343 7.656 ( 17.362 -0.000 -11.342) 20.738 7.800 ( -1.221 0.000 9.514) 9.592 8.119 ( 0.585 -0.000 -1.980) 2.065 8.187 ( 7.671 -0.000 -4.182) 8.737 8.291 ( -7.063 0.000 6.901) 9.874 8.694 ( -2.494 0.000 5.851) 6.361 8.881 ( -0.885 0.000 -3.493) 3.603 9.143 ( -4.735 0.000 0.309) 4.745 9.550 ( 8.882 -0.000 8.777) 12.487 9.739 ( 2.916 -0.000 -3.900) 4.869 9.795 ( -9.030 0.000 -16.044) 18.410 9.808 ( 4.106 -0.000 3.111) 5.152 10.645 ( -14.428 0.000 -4.717) 15.179 10.941 ( -1.756 0.000 -7.456) 7.660 11.775 ( 9.782 -0.000 2.509) 10.099 12.173 ( 1.047 -0.000 -1.468) 1.803 12.641 ( -3.723 0.000 -2.061) 4.256 12.805 ( 3.596 -0.000 2.682) 4.486 13.103 ( -2.457 0.000 -4.872) 5.456 13.202 ( -3.368 0.000 -1.688) 3.768 13.425 ( -8.828 0.000 -8.887) 12.526 13.733 ( 7.088 -0.000 1.443) 7.233 14.090 ( 5.565 -0.000 0.969) 5.649 14.233 ( 3.779 -0.000 -9.377) 10.110 15.499 ( 6.008 -0.000 -0.382) 6.020 16.337 ( 1.274 -0.000 -3.447) 3.675 16.444 ( -2.037 0.000 4.924) 5.328 16.533 ( -5.842 0.000 8.598) 10.395 17.044 ( -5.077 0.000 8.629) 10.011 17.154 ( 8.186 -0.000 8.199) 11.586 18.873 ( -30.464 0.000 -2.518) 30.568 20.460 ( 19.173 -0.000 -8.700) 21.055 20.930 ( 3.470 -0.000 -4.823) 5.942 21.398 ( 2.880 -0.000 1.535) 3.264 21.511 ( -2.780 0.000 -2.294) 3.604 21.531 ( -6.358 0.000 -3.171) 7.105 21.859 ( -2.915 0.000 11.685) 12.043 22.068 ( -0.582 0.000 -2.085) 2.165 23.019 ( 2.175 -0.000 6.768) 7.109 23.106 ( 8.009 -0.000 -5.886) 9.939 23.530 ( 10.045 -0.000 -2.058) 10.253 24.563 ( 18.685 -0.000 -2.277) 18.823 24.578 ( -6.282 0.000 6.849) 9.293 25.917 ( 0.637 -0.000 -1.247) 1.400 26.379 ( -4.515 0.000 -1.867) 4.886 26.865 ( 3.739 -0.000 -4.410) 5.782 27.073 ( 0.175 -0.000 3.520) 3.524 27.274 ( 2.176 -0.000 -3.892) 4.459 27.722 ( 2.119 -0.000 -3.447) 4.047 28.020 ( 2.962 -0.000 -4.712) 5.566 28.157 ( -0.163 0.000 0.404) 0.436 28.419 ( -14.066 0.000 -11.257) 18.016 28.713 ( -5.289 0.000 2.579) 5.884 29.454 ( -0.578 0.000 1.451) 1.561 29.946 ( 6.515 -0.000 -1.291) 6.642 30.187 ( 0.918 -0.000 -16.286) 16.312 30.407 ( -5.217 0.000 -1.247) 5.364 30.860 ( -0.391 0.000 8.489) 8.498 31.519 ( 22.913 -0.000 -8.619) 24.480 31.801 ( -5.645 0.000 -3.845) 6.831 31.854 ( -1.352 0.000 17.663) 17.714 32.345 ( -0.880 0.000 1.000) 1.332 45.762 ( -3.888 0.000 3.524) 5.247 45.810 ( -0.280 0.000 6.301) 6.307 48.089 ( -0.331 0.000 -4.153) 4.166 48.174 ( 1.085 -0.000 1.869) 2.161 48.362 ( 2.745 -0.000 -2.125) 3.471 48.679 ( -4.572 0.000 -3.487) 5.750 48.909 ( -0.495 0.000 -1.683) 1.755 49.602 ( 1.765 -0.000 -0.800) 1.938 88.007 ( -0.027 0.000 -0.342) 0.343 88.249 ( 2.766 -0.000 0.182) 2.772 88.910 ( -2.545 0.000 -2.855) 3.825 88.975 ( -0.347 0.000 -0.084) 0.357 89.723 ( -0.749 0.000 -5.835) 5.883 90.136 ( -17.634 0.000 17.843) 25.086 91.486 ( 3.698 -0.000 10.524) 11.155 92.102 ( -0.606 0.000 -15.870) 15.882 97.489 ( -0.906 0.000 -1.189) 1.495 97.669 ( 0.222 -0.000 5.819) 5.823 97.743 ( 1.945 -0.000 -0.244) 1.961 97.972 ( -1.987 0.000 3.746) 4.240 99.261 ( -2.901 0.000 -1.718) 3.371 99.570 ( -0.254 0.000 -0.901) 0.936 99.968 ( -2.060 0.000 0.852) 2.229 100.814 ( 11.892 -0.000 -2.524) 12.157 ======================= Grid point 54 (26/118) ======================= q-point: (-0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -15.469 14.429 0.393) 21.157 2.302 ( -6.890 19.838 9.692) 23.129 2.615 ( -10.525 -3.028 18.619) 21.601 3.088 ( 25.200 -3.055 13.316) 28.666 3.621 ( -16.428 -3.888 -4.578) 17.491 3.791 ( 21.711 -6.428 6.662) 23.602 4.465 ( -3.627 10.815 5.149) 12.515 4.675 ( -4.611 1.377 14.378) 15.162 4.779 ( -10.510 2.377 2.466) 11.054 5.156 ( -4.495 -20.078 -0.143) 20.576 5.400 ( 0.060 1.530 -5.992) 6.184 5.488 ( -0.278 -0.691 1.689) 1.846 5.883 ( 4.251 0.860 -4.747) 6.430 5.994 ( 2.263 9.291 -0.375) 9.570 6.135 ( 2.221 1.118 2.011) 3.198 6.298 ( 0.122 -1.744 -4.105) 4.462 6.494 ( -4.630 3.897 0.813) 6.106 6.613 ( -3.726 -3.291 -2.309) 5.481 6.740 ( -2.304 -1.236 -4.262) 5.000 6.878 ( 1.738 -5.656 -2.582) 6.456 7.052 ( -6.876 -1.167 -2.767) 7.504 7.094 ( 1.977 -2.046 -1.766) 3.349 7.259 ( 10.987 -1.246 7.640) 13.440 7.378 ( 8.506 -0.969 -6.336) 10.650 7.544 ( -8.057 -0.581 7.790) 11.222 7.773 ( -3.961 2.552 -1.826) 5.053 7.871 ( 13.489 -0.032 -8.630) 16.013 8.128 ( 1.218 -0.637 -1.710) 2.194 8.194 ( -6.929 0.248 9.687) 11.913 8.347 ( 7.293 -1.752 2.264) 7.835 8.673 ( -3.734 -1.175 4.366) 5.864 8.820 ( -2.167 0.675 -4.320) 4.880 9.125 ( -2.196 -3.057 6.925) 7.881 9.530 ( -9.311 1.439 -19.070) 21.270 9.668 ( -0.824 3.749 -5.695) 6.868 9.768 ( 6.310 -0.597 7.678) 9.956 9.909 ( 5.262 1.063 3.262) 6.282 10.508 ( 1.842 -0.254 -1.247) 2.238 10.807 ( -10.037 0.253 -5.592) 11.493 11.933 ( 6.372 -0.246 0.653) 6.410 12.174 ( 2.259 3.992 -0.918) 4.677 12.594 ( -1.292 -2.676 -1.637) 3.393 12.835 ( -2.200 0.633 -6.974) 7.340 13.023 ( 1.177 4.410 -0.239) 4.571 13.158 ( -1.611 0.487 1.488) 2.246 13.350 ( -0.907 -5.639 -1.591) 5.929 13.829 ( 4.169 0.298 -1.319) 4.382 14.139 ( 1.602 2.796 -3.971) 5.114 14.244 ( 1.801 -2.388 -6.972) 7.587 15.641 ( 8.710 -0.688 1.060) 8.801 16.335 ( -5.177 1.212 4.385) 6.892 16.370 ( -2.814 -1.208 2.099) 3.713 16.540 ( 1.174 -0.433 2.747) 3.019 16.973 ( -4.482 2.890 7.120) 8.896 17.321 ( 4.589 -2.594 3.964) 6.595 18.437 ( -20.901 -1.992 -1.224) 21.032 20.653 ( 16.513 9.360 -6.038) 19.919 20.989 ( 1.392 -3.240 -6.387) 7.296 21.274 ( -4.691 6.024 -0.269) 7.640 21.488 ( -2.074 -1.930 -2.564) 3.821 21.565 ( -0.319 -7.754 2.063) 8.030 21.890 ( -1.915 -2.332 13.666) 13.995 22.063 ( 0.428 -0.811 -2.799) 2.945 22.994 ( -2.688 2.185 -6.855) 7.680 23.175 ( 5.898 6.200 4.049) 9.467 23.697 ( 7.472 -2.724 -0.786) 7.992 24.540 ( -5.035 -4.780 7.309) 10.081 24.799 ( 14.442 5.503 -13.504) 20.523 25.830 ( 0.130 12.748 -0.112) 12.749 26.330 ( -1.777 -2.106 -2.871) 3.979 26.913 ( 2.992 -2.764 -3.578) 5.421 27.065 ( -3.361 0.691 2.543) 4.271 27.284 ( 1.046 0.564 -4.786) 4.932 27.691 ( 0.976 6.267 -4.338) 7.685 28.020 ( 1.381 1.528 -3.781) 4.306 28.143 ( -8.117 -7.864 -5.969) 12.781 28.303 ( -2.602 -14.044 0.973) 14.316 28.663 ( -0.733 1.316 0.207) 1.520 29.504 ( 3.281 2.660 12.172) 12.884 29.905 ( 3.114 9.508 -10.968) 14.846 30.212 ( -0.939 -11.062 -14.724) 18.441 30.318 ( -3.411 0.682 -1.593) 3.826 30.926 ( 2.462 0.395 11.730) 11.992 31.638 ( -6.407 3.901 0.729) 7.537 31.810 ( 14.146 -1.172 -9.722) 17.204 31.944 ( 2.845 0.008 7.337) 7.870 32.339 ( -1.118 -0.806 1.723) 2.206 45.720 ( -2.167 1.052 4.859) 5.424 45.840 ( -1.519 -2.264 5.842) 6.447 48.067 ( 0.129 -0.028 -4.328) 4.330 48.187 ( 0.380 1.162 1.770) 2.151 48.422 ( 4.216 -1.435 -1.246) 4.625 48.589 ( -4.559 0.112 -2.789) 5.346 48.906 ( 0.099 -1.149 -1.384) 1.801 49.610 ( 0.780 1.360 -1.117) 1.925 88.011 ( 0.054 -0.840 -0.485) 0.972 88.275 ( 0.981 0.717 -1.751) 2.131 88.885 ( 0.312 -0.355 0.169) 0.502 88.976 ( 0.441 0.095 1.879) 1.933 89.673 ( 0.884 5.425 1.654) 5.740 89.985 ( -11.102 -5.312 6.875) 14.097 91.592 ( 0.188 -1.522 10.674) 10.784 91.985 ( 0.648 7.041 -10.491) 12.652 97.476 ( -0.337 -0.712 -1.690) 1.864 97.687 ( -0.287 1.035 4.780) 4.899 97.791 ( 1.573 -1.632 2.227) 3.177 97.946 ( -1.931 1.272 3.386) 4.100 99.242 ( -1.322 -3.723 -0.400) 3.971 99.597 ( 0.026 -5.140 -1.173) 5.272 99.907 ( -2.005 4.499 -0.769) 4.985 100.936 ( 7.764 2.904 -7.915) 11.461 ======================= Grid point 55 (27/118) ======================= q-point: (-0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 4.595 21.516 20.275) 29.919 1.996 ( 3.826 25.670 12.208) 28.681 2.513 ( -0.580 12.175 26.661) 29.315 3.260 ( -26.378 1.088 -0.307) 26.402 3.607 ( 23.099 -5.314 10.258) 25.827 4.190 ( 2.985 -6.387 9.057) 11.478 4.359 ( -2.794 -1.225 1.769) 3.527 4.594 ( -2.045 0.192 10.444) 10.644 4.807 ( 3.692 -8.331 6.683) 11.300 5.324 ( -4.742 -12.572 -3.272) 13.829 5.389 ( 1.284 -1.721 -6.071) 6.439 5.474 ( -0.985 -2.242 -1.369) 2.805 5.795 ( -5.630 11.657 -1.929) 13.088 5.935 ( 4.980 4.496 1.003) 6.784 6.111 ( -1.006 4.198 2.922) 5.212 6.373 ( 0.433 0.964 -4.927) 5.039 6.401 ( 7.473 -4.653 -4.817) 10.035 6.601 ( -7.095 -5.651 0.937) 9.118 6.690 ( 0.337 2.398 -7.741) 8.111 6.823 ( -13.553 -0.815 -12.185) 18.243 6.981 ( 0.597 -5.340 -3.590) 6.462 7.186 ( 4.288 -1.079 1.771) 4.764 7.428 ( 6.874 1.549 -3.814) 8.013 7.470 ( -6.231 -3.797 5.146) 8.929 7.531 ( 2.776 -1.566 8.429) 9.011 7.611 ( -6.038 2.124 -9.588) 11.528 7.984 ( 4.778 0.701 -4.020) 6.284 8.087 ( -6.184 1.176 7.855) 10.066 8.213 ( 1.741 -6.193 -2.880) 7.048 8.458 ( 1.388 1.008 4.976) 5.264 8.647 ( -1.439 -3.167 1.643) 3.847 8.834 ( 5.551 2.453 1.933) 6.370 9.145 ( -3.487 -1.747 3.633) 5.330 9.290 ( -6.304 1.775 -15.328) 16.668 9.557 ( -2.467 -0.364 -8.457) 8.817 9.926 ( 7.628 2.251 8.429) 11.589 9.990 ( 4.473 2.339 6.253) 8.036 10.591 ( -9.227 0.397 -6.211) 11.130 10.668 ( 13.351 0.356 3.574) 13.826 11.935 ( -4.502 1.369 -3.610) 5.931 12.166 ( 3.121 4.072 2.366) 5.650 12.635 ( 0.948 2.399 -7.295) 7.737 12.709 ( -0.138 -2.414 -2.704) 3.627 13.055 ( 1.655 -0.940 1.348) 2.333 13.158 ( 0.854 0.146 3.852) 3.948 13.478 ( 6.395 -4.493 4.121) 8.836 13.839 ( -1.833 -0.631 -4.424) 4.830 14.075 ( 1.247 3.989 -7.989) 9.016 14.263 ( -0.530 -1.842 -5.640) 5.957 15.742 ( 0.254 -0.814 -1.204) 1.475 16.237 ( -5.434 0.575 8.860) 10.409 16.404 ( 2.787 -0.488 0.136) 2.833 16.575 ( 0.617 0.015 3.941) 3.989 16.917 ( -1.871 1.038 4.985) 5.425 17.320 ( -10.899 -3.100 -4.609) 12.233 18.329 ( 6.394 -3.127 4.067) 8.198 20.750 ( 12.537 8.885 -3.761) 15.820 20.878 ( -8.895 7.721 0.273) 11.782 21.212 ( 0.151 -2.366 -7.749) 8.104 21.469 ( -2.492 -3.519 -3.255) 5.403 21.659 ( 0.596 -3.693 3.777) 5.316 22.010 ( 1.545 -7.211 14.582) 16.341 22.083 ( 2.168 -1.943 -3.177) 4.309 22.845 ( -5.899 3.312 -8.787) 11.089 23.166 ( 2.127 9.512 4.530) 10.749 23.823 ( 3.430 -2.623 1.734) 4.653 24.542 ( -9.086 1.091 -6.097) 10.996 24.734 ( 2.493 4.391 -13.808) 14.702 25.633 ( 0.482 17.151 0.672) 17.171 26.354 ( 1.377 -4.670 -2.635) 5.536 26.952 ( -7.524 -2.106 -2.539) 8.215 27.030 ( 4.614 -2.767 0.629) 5.417 27.245 ( 0.735 2.948 -6.019) 6.742 27.599 ( 2.400 7.686 -4.782) 9.365 28.083 ( 2.211 -1.051 -4.133) 4.804 28.123 ( 1.533 -6.181 1.253) 6.490 28.520 ( 1.535 -17.823 1.192) 17.929 28.653 ( 1.666 1.491 0.396) 2.271 29.512 ( 2.577 12.942 0.535) 13.207 29.852 ( 3.582 -1.733 -1.612) 4.293 30.231 ( -5.273 -9.348 -13.634) 17.352 30.284 ( 0.991 0.088 -0.318) 1.044 31.006 ( 1.866 1.159 5.926) 6.320 31.493 ( -4.800 4.627 3.915) 7.731 31.923 ( 0.017 -2.451 -12.479) 12.717 32.007 ( 1.825 -0.633 7.395) 7.643 32.347 ( -0.507 -1.150 1.865) 2.248 45.712 ( -0.196 1.161 6.057) 6.170 45.865 ( -2.689 -2.865 5.295) 6.594 48.057 ( 0.660 -0.396 -4.146) 4.217 48.180 ( -0.047 1.264 1.505) 1.966 48.484 ( -0.297 3.485 -3.141) 4.700 48.540 ( 2.756 -4.191 0.311) 5.026 48.926 ( 0.498 -1.763 -1.204) 2.193 49.585 ( -0.142 2.315 -1.426) 2.722 88.027 ( 0.385 -1.536 -0.605) 1.695 88.236 ( -1.617 2.210 -4.296) 5.094 88.922 ( 1.603 -0.996 1.442) 2.375 89.022 ( 2.254 -1.582 5.152) 5.842 89.646 ( -1.232 3.232 11.255) 11.774 90.017 ( 3.026 -11.792 -0.911) 12.208 91.560 ( -11.362 -0.558 6.583) 13.143 91.896 ( 9.217 14.601 -1.184) 17.308 97.480 ( 0.103 -1.213 -1.703) 2.093 97.681 ( -0.817 1.314 3.547) 3.870 97.840 ( -0.055 -1.200 3.101) 3.325 97.913 ( -2.070 0.780 3.956) 4.533 99.319 ( 2.247 -6.651 1.836) 7.257 99.689 ( 0.693 -8.748 -1.405) 8.887 99.785 ( -1.304 8.182 -2.027) 8.530 100.912 ( -0.092 3.765 -13.950) 14.449 ======================= Grid point 56 (28/118) ======================= q-point: (-0.17 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 10.710 22.664 21.755) 33.191 1.817 ( 4.818 22.385 9.439) 24.766 2.722 ( -2.528 7.590 20.309) 21.827 2.851 ( 9.527 11.618 24.520) 28.757 3.943 ( -8.236 -1.424 5.864) 10.210 4.137 ( -1.999 -10.714 11.305) 15.703 4.519 ( 2.455 -12.625 6.724) 14.514 4.687 ( 1.387 -3.521 6.076) 7.158 4.992 ( -5.410 -3.664 6.409) 9.153 5.275 ( -1.522 -3.799 -5.493) 6.850 5.384 ( -0.318 -0.579 -5.380) 5.421 5.540 ( -0.721 -4.962 -2.335) 5.531 5.651 ( 2.791 1.774 0.249) 3.316 5.827 ( -8.290 9.118 1.745) 12.446 6.091 ( 3.090 3.750 -0.052) 4.859 6.427 ( 11.354 1.086 -9.497) 14.843 6.460 ( -12.781 -3.162 -4.410) 13.885 6.597 ( -10.152 -5.326 -6.389) 13.124 6.619 ( 8.483 -5.513 -2.424) 10.403 6.663 ( 6.041 3.059 -4.775) 8.286 6.973 ( -2.651 2.647 -3.736) 5.291 7.185 ( -2.718 5.014 -4.552) 7.297 7.355 ( -6.543 0.312 -1.144) 6.650 7.499 ( -0.633 -2.900 2.307) 3.759 7.541 ( -1.117 1.804 -3.148) 3.796 7.573 ( 2.959 -2.376 -2.342) 4.460 8.015 ( -4.015 -0.486 7.220) 8.275 8.041 ( 0.101 -1.741 -1.242) 2.141 8.278 ( -0.002 -1.415 0.446) 1.483 8.453 ( -2.046 -1.985 -1.647) 3.293 8.708 ( -0.519 -2.081 5.197) 5.623 8.897 ( 5.548 1.648 -1.020) 5.877 9.150 ( 3.133 2.732 -8.104) 9.108 9.153 ( 1.761 0.648 -1.255) 2.258 9.533 ( -1.495 -3.772 -2.675) 4.860 9.939 ( -7.853 2.766 4.524) 9.476 10.053 ( 3.996 1.971 5.044) 6.730 10.549 ( 8.806 -1.083 -5.563) 10.472 10.903 ( 11.482 0.572 3.920) 12.146 11.783 ( -7.173 2.084 -4.011) 8.478 12.167 ( 0.660 2.202 2.089) 3.106 12.563 ( 1.775 2.310 -3.701) 4.710 12.826 ( 3.086 -3.222 2.454) 5.092 13.088 ( 0.164 -4.190 -3.893) 5.722 13.214 ( 3.068 0.353 6.111) 6.847 13.654 ( 5.214 -1.000 1.872) 5.629 13.758 ( -5.805 -2.669 -4.854) 8.024 14.037 ( 2.996 1.678 -7.353) 8.116 14.209 ( -3.014 0.588 -7.397) 8.009 15.656 ( -8.315 -0.449 -2.578) 8.717 16.237 ( 0.736 0.853 8.879) 8.951 16.450 ( 1.760 0.969 0.860) 2.185 16.607 ( 0.494 -0.999 5.903) 6.008 16.913 ( -2.483 0.060 0.848) 2.624 17.090 ( -11.830 -0.914 0.629) 11.882 18.750 ( 27.613 -12.557 1.826) 30.389 20.531 ( -18.400 9.596 0.074) 20.752 20.834 ( 9.798 6.765 0.456) 11.915 21.208 ( 0.355 -2.527 -8.280) 8.665 21.469 ( -0.516 -2.767 -4.217) 5.070 21.710 ( 0.211 -1.714 1.920) 2.582 22.143 ( 4.565 -0.302 -2.097) 5.032 22.250 ( 3.571 -10.324 11.466) 15.837 22.670 ( -5.930 1.225 -3.882) 7.193 23.010 ( -6.161 13.175 0.441) 14.551 23.912 ( 0.065 -3.607 4.305) 5.617 24.021 ( -12.631 22.266 -22.313) 33.959 24.820 ( 1.262 -4.597 3.671) 6.016 25.481 ( 3.215 7.609 -0.216) 8.263 26.465 ( 3.919 -6.324 -1.108) 7.522 26.812 ( -8.788 0.193 -1.161) 8.866 27.153 ( 4.491 0.201 -3.337) 5.599 27.234 ( 4.084 -2.362 -3.730) 6.014 27.509 ( 1.634 7.582 -5.904) 9.747 28.058 ( -0.242 1.252 -2.293) 2.624 28.329 ( 9.400 -5.626 -2.904) 11.333 28.660 ( 3.331 2.042 4.269) 5.787 28.796 ( 2.528 -11.191 -0.371) 11.479 29.318 ( 2.491 12.449 -11.088) 16.856 29.976 ( 2.897 -2.699 -3.327) 5.171 30.176 ( -7.265 -8.862 -4.589) 12.344 30.354 ( 5.378 -2.034 2.185) 6.151 30.970 ( -2.256 3.375 -6.617) 7.763 31.382 ( -3.765 6.743 0.427) 7.735 31.802 ( -9.298 0.304 1.663) 9.450 32.060 ( -5.236 -5.540 6.990) 10.343 32.363 ( -0.088 -0.353 1.845) 1.880 45.731 ( 0.440 1.241 6.570) 6.701 45.873 ( -2.789 -2.100 4.402) 5.618 48.061 ( 1.042 -0.852 -3.570) 3.815 48.169 ( -0.308 1.024 1.097) 1.532 48.406 ( -0.977 2.942 -2.532) 4.003 48.683 ( 6.445 -3.758 -0.825) 7.506 48.947 ( 0.294 -1.186 -1.325) 1.803 49.542 ( -0.304 2.085 -1.378) 2.518 88.057 ( 0.897 -1.566 -0.674) 1.927 88.147 ( -1.630 3.227 -3.250) 4.861 88.955 ( 1.239 -0.005 0.115) 1.244 89.096 ( -1.224 -3.548 2.128) 4.315 89.645 ( -3.669 -3.946 5.478) 7.684 90.421 ( 7.197 -26.434 13.533) 30.557 91.357 ( -8.534 4.360 1.699) 9.733 91.875 ( 11.883 16.328 2.027) 20.296 97.492 ( 0.232 -1.221 -1.143) 1.688 97.661 ( -1.387 1.187 3.170) 3.658 97.822 ( -0.974 3.111 0.196) 3.266 97.918 ( -2.432 -3.217 6.418) 7.580 99.484 ( 4.069 -7.046 3.259) 8.765 99.624 ( -2.069 8.095 -2.387) 8.690 99.862 ( 5.145 -9.590 -1.500) 10.986 100.685 ( -10.193 7.445 -14.616) 19.312 ======================= Grid point 60 (29/118) ======================= q-point: (-0.50 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.318 -0.000 18.718) 19.459 2.479 ( -2.409 -0.000 -11.883) 12.125 2.516 ( 3.293 0.000 40.155) 40.289 3.149 ( -26.030 -0.000 -3.608) 26.278 3.565 ( 24.404 -0.000 9.180) 26.073 4.117 ( 7.848 -0.000 7.360) 10.759 4.515 ( -2.658 -0.000 12.909) 13.180 4.530 ( -14.403 0.000 3.229) 14.760 4.832 ( 0.407 -0.000 3.933) 3.954 4.928 ( 3.403 0.000 5.442) 6.418 5.389 ( 1.553 -0.000 -6.204) 6.395 5.449 ( -3.414 -0.000 -2.048) 3.981 5.979 ( 7.335 -0.000 -0.258) 7.340 6.104 ( -7.560 -0.000 -2.930) 8.108 6.142 ( 5.641 -0.000 -3.752) 6.775 6.240 ( 0.022 -0.000 -3.447) 3.447 6.439 ( -6.715 -0.000 0.213) 6.719 6.502 ( -0.229 -0.000 -0.322) 0.395 6.716 ( 1.177 -0.000 -7.810) 7.898 6.815 ( -14.414 -0.000 -12.914) 19.353 6.878 ( 4.813 -0.000 0.883) 4.893 7.164 ( 4.058 -0.000 2.304) 4.667 7.424 ( -6.180 -0.000 5.224) 8.092 7.450 ( 4.722 0.000 10.335) 11.362 7.463 ( 6.055 -0.000 -5.551) 8.215 7.679 ( -6.458 -0.000 -9.517) 11.501 7.997 ( -0.425 -0.000 -6.424) 6.438 8.094 ( 5.349 -0.000 -4.865) 7.230 8.120 ( -7.710 -0.000 11.227) 13.619 8.489 ( 5.692 -0.000 8.499) 10.229 8.589 ( -5.961 -0.000 0.171) 5.964 8.872 ( 7.461 -0.000 3.776) 8.362 9.121 ( -1.015 -0.000 6.626) 6.703 9.301 ( -6.856 -0.000 -20.836) 21.935 9.573 ( -3.456 -0.000 -11.807) 12.303 9.954 ( 8.210 -0.000 9.542) 12.588 10.024 ( 4.431 -0.000 6.083) 7.526 10.595 ( -10.441 -0.000 -5.529) 11.814 10.674 ( 14.536 -0.000 2.068) 14.682 11.955 ( -3.317 -0.000 -2.230) 3.997 12.256 ( 3.188 -0.000 0.120) 3.190 12.582 ( 2.992 -0.000 2.004) 3.601 12.736 ( -5.011 -0.000 -10.081) 11.258 13.044 ( 1.003 -0.000 -4.958) 5.058 13.170 ( 1.065 -0.000 3.187) 3.360 13.402 ( 8.317 -0.000 7.244) 11.030 13.833 ( -2.494 -0.000 -4.371) 5.032 14.161 ( -1.652 -0.000 -2.578) 3.062 14.208 ( 3.023 -0.000 -10.141) 10.582 15.731 ( 1.032 -0.000 -0.542) 1.165 16.247 ( -5.453 -0.000 9.281) 10.765 16.394 ( 3.054 -0.000 -0.434) 3.084 16.576 ( 1.278 -0.000 3.283) 3.523 16.938 ( -4.881 -0.000 6.362) 8.018 17.268 ( -9.185 -0.000 -4.380) 10.176 18.285 ( 4.058 -0.000 3.014) 5.055 20.922 ( 7.285 0.000 -6.232) 9.587 20.956 ( 1.729 -0.000 -7.762) 7.952 21.199 ( -5.237 -0.000 1.504) 5.448 21.389 ( -1.640 -0.000 -3.562) 3.921 21.610 ( 4.114 -0.000 6.391) 7.600 21.911 ( -1.880 -0.000 15.293) 15.408 22.050 ( 0.331 -0.000 -2.500) 2.522 22.889 ( -6.054 -0.000 -10.105) 11.780 23.309 ( 3.073 -0.000 2.471) 3.943 23.784 ( 3.531 -0.000 1.705) 3.921 24.466 ( -2.832 -0.000 7.826) 8.322 24.857 ( -4.255 -0.000 -23.092) 23.481 25.911 ( -0.412 -0.000 -0.585) 0.715 26.294 ( 1.285 -0.000 -2.181) 2.531 26.886 ( 0.480 -0.000 -5.823) 5.843 27.030 ( -3.761 -0.000 1.443) 4.029 27.278 ( 0.318 -0.000 -4.954) 4.964 27.721 ( 1.271 -0.000 -4.519) 4.694 28.020 ( 0.921 -0.000 -5.261) 5.341 28.043 ( 4.737 -0.000 1.503) 4.970 28.258 ( 2.642 -0.000 6.146) 6.690 28.674 ( 1.301 -0.000 1.122) 1.718 29.668 ( 5.354 -0.000 18.772) 19.520 29.973 ( -1.596 0.000 -24.083) 24.135 29.978 ( -2.533 -0.000 -8.188) 8.571 30.286 ( 0.206 -0.000 -1.682) 1.695 31.022 ( 2.619 -0.000 7.229) 7.688 31.557 ( -6.712 -0.000 6.893) 9.621 31.875 ( 1.560 -0.000 -16.963) 17.034 32.014 ( 0.706 -0.000 6.674) 6.711 32.331 ( -0.213 -0.000 2.700) 2.708 45.735 ( 0.082 -0.000 6.080) 6.081 45.820 ( -2.318 -0.000 5.263) 5.751 48.048 ( 0.235 -0.000 -4.411) 4.417 48.210 ( 0.256 -0.000 1.653) 1.672 48.472 ( 1.532 -0.000 0.850) 1.752 48.535 ( 1.102 -0.000 -3.208) 3.393 48.898 ( 0.623 -0.000 -1.072) 1.240 49.618 ( -0.152 -0.000 -1.743) 1.750 88.005 ( 0.130 -0.000 -0.466) 0.484 88.262 ( -1.486 -0.000 -3.169) 3.500 88.915 ( 3.151 -0.000 1.730) 3.594 89.007 ( 1.255 -0.000 3.542) 3.758 89.772 ( 4.977 0.000 2.160) 5.426 89.780 ( -10.603 -0.000 4.222) 11.412 91.561 ( -6.932 -0.000 4.324) 8.170 92.100 ( 9.901 -0.000 -1.838) 10.070 97.459 ( -0.022 -0.000 -2.136) 2.136 97.696 ( -2.038 -0.000 5.391) 5.764 97.828 ( 1.993 -0.000 3.379) 3.923 97.936 ( -1.796 -0.000 2.403) 3.000 99.221 ( 1.732 -0.000 1.054) 2.028 99.559 ( 0.165 -0.000 -1.016) 1.029 99.898 ( -1.836 -0.000 -2.491) 3.095 100.957 ( -1.521 -0.000 -11.339) 11.440 ======================= Grid point 62 (30/118) ======================= q-point: (-0.33 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 6.605 13.188 19.819) 24.705 2.275 ( -3.869 10.331 -7.542) 13.364 2.683 ( -28.830 -4.331 1.865) 29.213 3.024 ( 24.619 0.826 32.986) 41.169 3.953 ( -22.011 -1.252 14.041) 26.138 4.020 ( 19.591 -0.944 5.964) 20.501 4.349 ( -5.043 2.728 0.094) 5.734 4.593 ( -1.370 -4.343 12.596) 13.394 4.885 ( 2.845 -1.527 3.393) 4.684 5.100 ( 1.195 -6.983 1.535) 7.249 5.397 ( 2.861 0.498 -4.243) 5.142 5.432 ( 2.383 -2.664 -0.975) 3.705 5.853 ( -5.373 11.148 -3.563) 12.878 6.063 ( -2.449 6.534 -1.344) 7.106 6.136 ( -1.714 0.888 1.672) 2.554 6.320 ( 4.234 -9.954 -6.428) 12.583 6.358 ( -6.954 -4.482 0.120) 8.274 6.460 ( -5.257 0.099 -5.306) 7.470 6.630 ( 5.715 3.007 -8.513) 10.685 6.706 ( 4.046 -0.516 -7.555) 8.586 6.972 ( 1.300 -1.512 -0.069) 1.995 7.178 ( -4.185 -2.348 4.891) 6.852 7.416 ( -0.777 1.635 0.572) 1.899 7.494 ( -4.039 1.338 -6.469) 7.742 7.522 ( 1.625 -1.284 0.865) 2.244 7.551 ( 4.253 0.316 -1.978) 4.702 7.940 ( -2.545 -3.513 -2.151) 4.841 8.046 ( -5.383 0.940 9.053) 10.574 8.191 ( 2.819 -2.843 -4.217) 5.815 8.476 ( -2.482 3.873 1.286) 4.777 8.620 ( -0.896 -5.087 7.156) 8.825 8.978 ( 3.057 3.307 1.593) 4.777 9.157 ( 4.772 -0.148 1.349) 4.961 9.165 ( 0.708 -1.332 -13.850) 13.931 9.500 ( 0.028 0.667 -6.595) 6.629 10.010 ( -9.523 1.808 3.772) 10.401 10.090 ( 4.331 0.801 4.296) 6.153 10.530 ( 7.357 -0.339 -4.301) 8.528 10.925 ( 13.122 0.593 2.675) 13.405 11.833 ( -7.446 1.334 -2.045) 7.836 12.268 ( 0.836 4.145 2.513) 4.919 12.618 ( -2.104 1.154 -7.134) 7.527 12.690 ( 3.844 -4.653 1.669) 6.262 13.036 ( -0.068 -0.751 -5.836) 5.885 13.236 ( 5.415 0.702 4.604) 7.142 13.605 ( 9.205 -1.664 6.535) 11.410 13.724 ( -7.053 -0.466 -6.985) 9.937 14.084 ( -2.807 1.370 -4.119) 5.169 14.219 ( 2.169 0.185 -9.676) 9.918 15.668 ( -6.125 0.804 -1.160) 6.286 16.259 ( 0.969 0.567 9.476) 9.543 16.452 ( 3.094 -0.601 1.375) 3.439 16.596 ( -1.596 0.118 6.139) 6.345 16.902 ( -1.831 -0.425 2.734) 3.318 17.040 ( -13.936 -1.744 -6.053) 15.293 18.546 ( 21.047 -3.854 2.187) 21.508 20.761 ( -14.469 6.493 -4.223) 16.412 20.940 ( 1.938 0.310 -6.073) 6.382 21.244 ( 7.381 5.022 -0.314) 8.934 21.390 ( 1.668 -2.963 -4.769) 5.857 21.697 ( 1.977 0.510 7.176) 7.461 22.005 ( 0.393 -7.577 13.972) 15.899 22.067 ( 1.171 -2.943 -0.386) 3.191 22.724 ( -6.460 1.702 -10.034) 12.054 23.277 ( -3.456 6.600 -0.038) 7.450 23.815 ( -2.680 -2.628 4.174) 5.614 24.416 ( -11.227 8.996 -13.635) 19.821 24.605 ( -4.224 -7.998 -3.938) 9.865 25.823 ( -0.128 11.524 -1.207) 11.588 26.360 ( 4.947 -1.921 0.696) 5.352 26.839 ( -3.510 1.845 -4.661) 6.120 27.023 ( 1.071 -5.196 -1.303) 5.463 27.248 ( -0.018 0.410 -6.598) 6.610 27.711 ( 2.751 5.527 -3.258) 6.980 28.041 ( 1.067 -2.754 -3.165) 4.329 28.206 ( 9.898 -2.983 -1.534) 10.451 28.388 ( 2.225 -9.965 6.009) 11.847 28.730 ( 4.686 0.986 5.019) 6.937 29.679 ( -1.522 12.077 -10.970) 16.387 29.915 ( 6.137 -1.392 2.255) 6.685 29.955 ( -4.923 -8.671 -7.009) 12.188 30.314 ( 3.471 -0.952 -1.311) 3.831 31.041 ( -0.527 1.620 -5.130) 5.406 31.503 ( -4.010 2.732 12.550) 13.455 31.734 ( -10.557 -3.102 -11.651) 16.026 32.020 ( -2.546 0.377 4.048) 4.797 32.356 ( 1.088 -0.110 3.390) 3.562 45.768 ( 0.591 1.588 6.624) 6.837 45.818 ( -1.688 -2.046 4.993) 5.654 48.037 ( 0.463 -0.621 -4.337) 4.405 48.210 ( 0.145 1.481 1.572) 2.164 48.444 ( -2.647 -0.013 -1.311) 2.954 48.624 ( 7.596 -0.668 -0.260) 7.630 48.915 ( 1.013 -0.956 -0.931) 1.675 49.591 ( -0.901 1.225 -2.260) 2.724 88.013 ( 0.347 -1.170 -0.479) 1.311 88.206 ( -2.250 1.078 -3.608) 4.387 88.982 ( 4.108 1.549 1.327) 4.587 89.042 ( 0.080 -0.873 3.147) 3.266 89.621 ( -7.436 0.920 1.357) 7.614 89.953 ( 5.983 -10.411 4.340) 12.767 91.427 ( -8.665 1.358 1.610) 8.918 92.243 ( 12.569 9.074 3.391) 15.868 97.457 ( 0.179 -1.002 -2.185) 2.410 97.680 ( -2.353 0.198 4.743) 5.298 97.867 ( -0.001 0.198 6.008) 6.011 97.913 ( -0.449 1.826 1.164) 2.212 99.309 ( 3.992 -4.673 2.170) 6.518 99.599 ( 0.628 -5.908 -1.086) 6.040 99.826 ( -1.533 3.718 -4.119) 5.757 100.797 ( -8.945 1.916 -13.385) 16.212 ======================= Grid point 63 (31/118) ======================= q-point: (-0.17 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 0.276 9.590 7.668) 12.282 2.254 ( 19.406 14.778 11.347) 26.902 2.295 ( -26.213 -7.810 3.149) 27.533 3.174 ( -21.565 -2.664 -1.950) 21.817 3.892 ( -4.130 -2.030 30.824) 31.165 4.186 ( 3.469 3.636 8.591) 9.953 4.464 ( 8.788 -9.372 7.278) 14.766 4.660 ( -1.879 -2.389 7.253) 7.864 4.811 ( -7.571 4.125 -4.976) 9.955 5.211 ( 1.889 -7.195 -0.006) 7.439 5.442 ( 2.203 -0.784 1.813) 2.959 5.490 ( 1.619 3.463 -1.849) 4.247 5.720 ( 1.864 -0.753 -1.943) 2.796 5.795 ( -4.728 10.479 4.791) 12.455 6.141 ( -4.604 -0.787 -1.141) 4.808 6.247 ( -7.519 1.027 3.195) 8.233 6.420 ( 0.450 -3.285 -5.379) 6.319 6.543 ( 7.808 -5.961 -2.153) 10.057 6.712 ( 8.675 -2.279 -6.360) 10.996 6.830 ( 13.165 1.783 -6.074) 14.608 6.928 ( -2.157 0.504 -2.894) 3.645 7.170 ( -1.625 3.045 -3.502) 4.917 7.230 ( -6.525 1.438 -3.349) 7.474 7.491 ( 0.389 0.712 0.423) 0.915 7.591 ( 3.527 0.614 2.903) 4.609 7.609 ( 3.946 0.637 -1.813) 4.389 7.929 ( -6.775 -2.895 2.432) 7.758 8.021 ( -0.477 0.127 1.897) 1.961 8.218 ( -1.692 -4.685 -3.375) 6.017 8.394 ( -3.544 1.685 0.842) 4.013 8.690 ( 0.584 -3.728 3.789) 5.348 8.964 ( -0.298 2.090 0.275) 2.129 9.171 ( 5.138 -0.258 -4.997) 7.172 9.305 ( 9.094 0.468 1.283) 9.196 9.482 ( 0.881 -0.571 -3.044) 3.220 9.790 ( -11.741 2.323 1.068) 12.017 10.108 ( -1.500 0.557 -3.159) 3.541 10.716 ( 12.872 -1.196 -3.930) 13.511 11.068 ( 4.171 2.621 0.866) 5.002 11.712 ( -3.070 1.884 0.605) 3.653 12.212 ( -1.615 4.288 2.556) 5.247 12.590 ( 1.363 -0.282 -1.125) 1.790 12.797 ( -0.508 -5.392 0.281) 5.424 13.004 ( -1.277 -1.909 -8.304) 8.616 13.355 ( 6.574 1.929 5.294) 8.658 13.568 ( -6.567 -0.565 -8.675) 10.895 13.756 ( 3.065 -0.695 1.047) 3.313 14.034 ( -0.028 -0.139 -1.212) 1.221 14.185 ( 1.974 2.100 -9.858) 10.271 15.538 ( -5.011 2.879 -1.382) 5.942 16.321 ( 2.072 1.199 9.483) 9.780 16.490 ( -0.339 1.779 2.217) 2.863 16.606 ( -1.537 -2.454 5.482) 6.200 16.821 ( -6.174 -1.415 -2.501) 6.810 16.960 ( -1.616 -4.860 4.375) 6.736 19.056 ( 27.673 -10.444 -1.243) 29.604 20.313 ( -22.797 11.823 -4.952) 26.154 20.953 ( 0.558 -2.619 -3.786) 4.637 21.257 ( 5.680 7.857 0.697) 9.720 21.450 ( 4.063 -1.295 -5.654) 7.081 21.721 ( -0.356 0.729 3.395) 3.491 22.159 ( 2.869 -7.086 -0.860) 7.693 22.239 ( 2.812 -7.844 12.437) 14.971 22.565 ( -4.386 -0.259 -4.254) 6.116 23.010 ( -11.841 11.493 -3.988) 16.977 23.837 ( -4.016 -6.158 4.532) 8.637 24.000 ( -6.563 10.203 -14.439) 18.859 24.752 ( 1.149 -9.899 4.900) 11.105 25.635 ( -0.479 13.792 -1.710) 13.906 26.490 ( 5.920 -2.886 1.838) 6.838 26.707 ( -5.338 3.444 -2.614) 6.869 27.147 ( 2.704 -8.197 -3.071) 9.162 27.233 ( 1.988 -1.648 -6.701) 7.182 27.617 ( 0.339 9.533 -4.537) 10.563 28.062 ( 0.140 0.084 -2.304) 2.310 28.388 ( 7.725 -4.453 -4.989) 10.217 28.632 ( 2.638 -15.319 4.161) 16.092 28.848 ( 6.955 2.451 9.294) 11.864 29.433 ( -0.298 11.010 -13.715) 17.590 29.802 ( -8.979 -3.304 -21.422) 23.461 30.156 ( 7.917 -1.900 12.729) 15.110 30.423 ( 5.764 -3.728 1.850) 7.109 30.926 ( -3.128 3.593 -12.477) 13.356 31.340 ( -9.877 4.966 -6.019) 12.588 31.666 ( -6.325 -5.879 17.992) 19.957 31.968 ( -3.989 0.452 0.554) 4.053 32.385 ( 0.754 0.797 3.055) 3.246 45.764 ( -2.336 0.173 5.217) 5.718 45.861 ( 1.217 0.093 6.022) 6.144 48.039 ( 0.619 -1.321 -4.039) 4.295 48.196 ( 0.027 1.891 1.545) 2.442 48.400 ( -1.091 0.526 -1.995) 2.334 48.752 ( 5.924 -0.544 -0.727) 5.993 48.938 ( 0.856 -0.714 -1.101) 1.567 49.546 ( -0.833 1.160 -2.162) 2.591 88.046 ( 1.066 -2.406 -0.258) 2.644 88.138 ( -1.591 1.723 -2.878) 3.712 89.001 ( 1.711 3.060 -2.167) 4.121 89.050 ( -1.570 -0.777 1.586) 2.364 89.528 ( -5.426 -3.202 -0.948) 6.372 90.240 ( 0.018 -16.747 9.336) 19.173 91.307 ( -2.932 -0.243 -0.569) 2.997 92.279 ( 9.286 17.140 4.122) 19.925 97.469 ( 0.253 -1.608 -1.765) 2.401 97.660 ( -1.881 0.588 4.123) 4.570 97.874 ( -1.606 0.793 1.770) 2.518 97.892 ( 0.645 2.703 6.020) 6.630 99.470 ( 3.660 -7.429 2.707) 8.713 99.643 ( -2.454 2.511 -2.224) 4.155 99.824 ( 5.530 -8.993 -3.908) 11.257 100.510 ( -12.047 4.718 -11.634) 17.399 ======================= Grid point 68 (32/118) ======================= q-point: (-0.33 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -28.567 0.000 2.388) 28.666 2.247 ( -6.709 0.000 -4.204) 7.918 2.465 ( 9.798 -0.000 18.998) 21.376 3.158 ( -22.695 0.000 -6.676) 23.656 3.847 ( -16.865 0.000 23.295) 28.760 4.243 ( 9.219 -0.000 15.824) 18.314 4.325 ( 14.594 -0.000 -1.086) 14.635 4.617 ( -3.081 0.000 15.955) 16.250 4.888 ( 4.407 -0.000 -7.888) 9.035 5.125 ( -0.571 0.000 4.063) 4.102 5.429 ( -0.141 0.000 1.490) 1.496 5.537 ( 11.481 -0.000 1.052) 11.529 5.761 ( -8.566 0.000 -6.705) 10.878 6.023 ( -4.244 0.000 1.035) 4.369 6.067 ( -6.652 0.000 4.338) 7.942 6.226 ( -5.652 0.000 3.656) 6.732 6.359 ( 9.742 -0.000 -5.866) 11.372 6.436 ( 3.130 -0.000 -1.579) 3.506 6.697 ( 2.831 -0.000 -7.015) 7.565 6.852 ( 16.961 -0.000 -8.986) 19.194 6.921 ( -5.258 0.000 1.618) 5.502 7.169 ( 1.768 -0.000 3.817) 4.206 7.294 ( -7.842 0.000 -9.906) 12.635 7.506 ( 1.304 -0.000 1.807) 2.229 7.577 ( 5.696 -0.000 2.015) 6.042 7.653 ( 5.601 -0.000 2.428) 6.104 7.853 ( -5.093 0.000 0.242) 5.099 8.023 ( -1.334 0.000 4.718) 4.903 8.141 ( -3.333 0.000 -5.624) 6.537 8.497 ( -7.659 0.000 2.027) 7.923 8.558 ( 4.611 -0.000 1.817) 4.956 9.001 ( -2.015 0.000 1.213) 2.352 9.158 ( 5.391 -0.000 -5.759) 7.888 9.302 ( 9.592 -0.000 -0.126) 9.593 9.501 ( 1.703 -0.000 -3.399) 3.801 9.833 ( -11.385 0.000 1.152) 11.443 10.113 ( -2.940 0.000 -3.107) 4.278 10.701 ( 12.478 -0.000 -3.134) 12.865 11.108 ( 6.616 -0.000 1.027) 6.695 11.738 ( -3.843 0.000 1.022) 3.977 12.306 ( -2.062 0.000 5.137) 5.536 12.566 ( -0.818 0.000 -3.274) 3.374 12.707 ( 1.073 -0.000 -1.324) 1.704 12.988 ( -0.995 0.000 -9.957) 10.007 13.379 ( 6.771 -0.000 5.350) 8.629 13.562 ( -5.824 0.000 -9.054) 10.765 13.742 ( 3.609 -0.000 2.589) 4.442 14.031 ( -0.170 0.000 -0.271) 0.320 14.216 ( 1.389 -0.000 -9.582) 9.682 15.602 ( -1.586 0.000 -1.768) 2.376 16.341 ( 2.327 -0.000 11.584) 11.816 16.499 ( 2.228 -0.000 1.783) 2.854 16.569 ( -5.877 0.000 9.403) 11.089 16.783 ( -11.140 0.000 -6.280) 12.788 16.897 ( 0.552 -0.000 -0.092) 0.559 18.921 ( 26.492 -0.000 -0.750) 26.503 20.501 ( -18.156 0.000 -9.222) 20.364 20.900 ( -1.409 0.000 -4.665) 4.873 21.383 ( 3.538 -0.000 -5.589) 6.615 21.480 ( 11.110 -0.000 0.023) 11.110 21.772 ( -0.283 0.000 12.182) 12.185 21.965 ( -1.149 0.000 3.424) 3.612 22.074 ( 0.680 -0.000 8.319) 8.347 22.599 ( -4.613 0.000 -8.202) 9.410 23.186 ( -11.782 0.000 -5.318) 12.927 23.714 ( -8.843 0.000 5.539) 10.434 24.161 ( -12.588 0.000 -17.322) 21.413 24.578 ( 3.532 -0.000 7.136) 7.962 25.892 ( 0.235 -0.000 -4.293) 4.299 26.456 ( 6.417 -0.000 3.345) 7.236 26.809 ( -1.214 0.000 -6.985) 7.090 26.965 ( 0.091 -0.000 -1.595) 1.598 27.199 ( -1.209 0.000 -7.852) 7.944 27.778 ( 1.280 -0.000 -3.078) 3.334 28.023 ( 1.424 -0.000 -2.483) 2.863 28.326 ( 8.000 -0.000 -4.899) 9.381 28.379 ( 0.616 -0.000 7.725) 7.750 28.884 ( 7.979 -0.000 11.580) 14.063 29.651 ( -2.463 0.000 -24.409) 24.533 29.689 ( -7.777 0.000 -11.874) 14.194 30.155 ( 11.280 -0.000 18.710) 21.847 30.357 ( 3.852 -0.000 -3.172) 4.990 30.978 ( -2.811 0.000 -13.489) 13.779 31.418 ( -15.180 0.000 -11.844) 19.254 31.558 ( -3.678 0.000 22.723) 23.018 31.983 ( -3.145 0.000 0.720) 3.226 32.397 ( 1.335 -0.000 3.876) 4.099 45.764 ( -3.427 0.000 4.145) 5.378 45.864 ( 3.174 -0.000 7.816) 8.435 48.021 ( 0.542 -0.000 -4.137) 4.173 48.227 ( -0.093 0.000 1.232) 1.235 48.400 ( -1.937 0.000 -1.279) 2.321 48.750 ( 7.802 -0.000 0.078) 7.803 48.926 ( 1.418 -0.000 -0.813) 1.634 49.566 ( -1.437 0.000 -2.957) 3.288 88.007 ( 0.220 -0.000 -0.501) 0.547 88.161 ( -1.883 0.000 -3.180) 3.696 89.038 ( -1.216 0.000 2.033) 2.369 89.072 ( 4.042 -0.000 -2.795) 4.915 89.493 ( -6.893 0.000 -2.042) 7.189 89.986 ( 3.704 -0.000 3.887) 5.369 91.309 ( -6.988 0.000 1.061) 7.068 92.547 ( 13.150 -0.000 6.041) 14.471 97.444 ( 0.304 -0.000 -1.955) 1.979 97.668 ( -1.745 0.000 4.551) 4.874 97.862 ( -2.592 0.000 4.357) 5.069 97.967 ( 2.329 -0.000 4.760) 5.299 99.349 ( 3.518 -0.000 1.710) 3.912 99.558 ( 0.376 -0.000 -1.362) 1.413 99.793 ( -2.212 0.000 -6.220) 6.601 100.574 ( -11.694 0.000 -12.450) 17.081 ======================= Grid point 69 (33/118) ======================= q-point: (-0.17 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -29.980 -10.404 6.199) 32.334 2.235 ( 2.966 0.755 5.350) 6.164 2.435 ( -33.097 -7.154 11.113) 35.639 2.773 ( -8.715 2.692 -13.800) 16.542 3.485 ( -17.766 -0.949 14.973) 23.253 4.431 ( -2.351 2.848 -2.353) 4.379 4.619 ( 5.821 -2.822 8.618) 10.776 4.660 ( 7.413 -1.406 16.076) 17.759 4.921 ( 5.569 9.540 -2.084) 11.241 5.128 ( -1.117 -5.260 -2.764) 6.046 5.386 ( -3.477 1.413 1.937) 4.224 5.669 ( 4.274 3.620 5.390) 7.773 5.776 ( 10.062 -2.926 -1.621) 10.603 5.920 ( -1.999 5.945 6.645) 9.138 5.996 ( -4.733 1.176 1.794) 5.196 6.188 ( -3.887 -3.150 3.958) 6.379 6.458 ( 6.913 1.387 -3.114) 7.708 6.584 ( 8.677 -5.250 -0.096) 10.142 6.719 ( -0.399 -2.806 -0.809) 2.947 6.886 ( 1.199 -0.349 -2.413) 2.717 7.065 ( 9.825 0.944 -3.347) 10.423 7.124 ( -3.003 3.045 -6.629) 7.889 7.220 ( 1.403 -0.785 0.914) 1.849 7.551 ( 6.178 2.795 -6.280) 9.242 7.648 ( 0.348 0.830 5.267) 5.344 7.669 ( -4.599 3.458 2.265) 6.184 7.788 ( -3.047 -2.748 3.280) 5.253 8.044 ( 2.282 0.765 -2.409) 3.405 8.117 ( 1.415 -5.976 -2.893) 6.789 8.350 ( -6.472 2.267 0.927) 6.920 8.692 ( 5.151 -3.797 -1.355) 6.542 8.980 ( 0.060 1.445 1.603) 2.159 9.252 ( 5.877 -0.372 2.180) 6.279 9.446 ( 7.690 -0.309 0.679) 7.726 9.516 ( 2.932 1.519 -1.065) 3.470 9.690 ( -4.367 2.997 2.898) 6.038 9.979 ( -9.379 -1.185 -9.498) 13.401 10.858 ( 6.933 -0.502 -4.018) 8.029 11.120 ( -2.820 4.633 -1.581) 5.649 11.733 ( 2.520 0.331 2.858) 3.825 12.249 ( -3.161 4.882 5.501) 8.005 12.590 ( 1.053 -3.848 2.302) 4.606 12.694 ( -3.212 -2.629 -4.848) 6.382 12.914 ( -1.748 -1.150 -13.078) 13.245 13.346 ( -7.602 0.424 -4.246) 8.718 13.595 ( 9.641 1.002 -1.126) 9.758 13.725 ( -4.007 -0.443 -2.472) 4.729 14.099 ( 5.403 1.370 2.080) 5.950 14.184 ( 1.006 -0.404 -7.234) 7.315 15.569 ( 2.688 5.574 -2.962) 6.861 16.420 ( 1.382 2.802 10.901) 11.340 16.487 ( -5.096 1.483 5.696) 7.786 16.548 ( -2.785 -2.218 0.711) 3.631 16.688 ( -1.458 -9.077 2.972) 9.662 16.918 ( 0.110 -2.445 1.494) 2.867 19.403 ( 27.715 -5.379 -2.903) 28.381 20.042 ( -23.042 11.911 -14.595) 29.763 20.871 ( -2.309 -2.941 -2.295) 4.388 21.426 ( 4.819 0.843 -4.781) 6.840 21.552 ( 5.289 7.437 -3.542) 9.790 21.747 ( -2.441 4.708 9.484) 10.866 22.062 ( 0.528 -9.081 -3.495) 9.744 22.236 ( 3.646 -11.908 14.957) 19.463 22.498 ( -2.046 1.187 -3.170) 3.956 22.893 ( -11.874 5.431 -5.407) 14.132 23.640 ( -8.960 -10.679 5.043) 14.824 23.939 ( -3.905 3.651 -10.159) 11.480 24.698 ( 1.529 -5.666 6.570) 8.809 25.773 ( -1.793 11.874 -7.985) 14.421 26.592 ( 7.166 -0.994 4.171) 8.351 26.698 ( -1.874 6.553 -5.508) 8.763 27.045 ( 1.334 -8.918 -2.715) 9.417 27.177 ( 0.464 -4.397 -8.450) 9.537 27.701 ( -1.816 7.238 -4.513) 8.720 28.044 ( 0.033 -0.513 -2.040) 2.104 28.428 ( 5.399 -2.662 -5.083) 7.879 28.502 ( 1.082 -12.067 5.634) 13.362 29.047 ( 4.516 3.202 8.281) 9.961 29.482 ( 0.900 3.775 -6.545) 7.609 29.529 ( -5.970 -0.148 -21.327) 22.147 30.349 ( 5.230 3.376 3.270) 7.031 30.476 ( 7.119 -4.976 8.689) 12.286 30.844 ( -3.247 1.672 -14.449) 14.904 31.159 ( -9.245 -1.494 -5.742) 10.985 31.600 ( -7.004 -3.205 21.795) 23.116 31.937 ( -0.811 1.000 -1.529) 1.999 32.423 ( 0.336 0.957 3.218) 3.374 45.728 ( -3.384 -0.381 4.052) 5.293 45.948 ( 3.030 1.488 8.133) 8.806 48.018 ( 0.708 -0.743 -3.692) 3.832 48.220 ( -0.316 1.146 1.018) 1.565 48.371 ( -1.051 -0.613 -1.746) 2.128 48.854 ( 5.312 2.024 -1.475) 5.872 48.946 ( 1.249 -0.087 -1.002) 1.604 49.525 ( -1.251 0.168 -2.791) 3.063 88.027 ( 0.818 -2.764 -0.247) 2.893 88.117 ( -1.135 0.815 -2.620) 2.969 89.006 ( -2.491 2.171 -2.898) 4.395 89.053 ( -0.584 1.089 -7.422) 7.524 89.409 ( -4.131 -1.240 2.259) 4.868 90.098 ( -0.450 -8.957 2.861) 9.413 91.237 ( -2.860 -2.610 0.604) 3.919 92.670 ( 8.393 16.814 6.916) 20.025 97.450 ( 0.450 -1.000 -1.303) 1.703 97.662 ( -0.999 0.600 3.854) 4.027 97.841 ( -2.266 -0.904 2.795) 3.710 98.008 ( 2.179 4.638 8.214) 9.682 99.439 ( 1.658 -5.491 1.400) 5.905 99.604 ( -0.610 -2.777 -1.062) 3.035 99.753 ( 2.153 -8.286 -8.169) 11.833 100.315 ( -10.606 2.335 -10.083) 14.819 ======================= Grid point 75 (34/118) ======================= q-point: (-0.17 -0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -29.665 0.000 14.591) 33.059 1.589 ( -51.359 0.000 -15.283) 53.585 2.207 ( -48.312 0.000 29.140) 56.420 2.407 ( 10.006 -0.000 9.232) 13.614 3.768 ( 27.350 -0.000 8.795) 28.729 4.335 ( -6.786 0.000 -7.234) 9.919 4.657 ( 1.527 -0.000 7.497) 7.651 4.797 ( -0.913 0.000 5.550) 5.625 4.999 ( -4.152 0.000 0.720) 4.214 5.095 ( 4.328 -0.000 -2.486) 4.991 5.390 ( 0.606 -0.000 0.571) 0.833 5.725 ( -0.972 0.000 3.873) 3.993 5.868 ( 2.205 -0.000 0.899) 2.381 5.901 ( -0.762 0.000 -3.180) 3.270 6.034 ( -4.642 0.000 8.725) 9.883 6.137 ( 3.145 -0.000 -0.918) 3.276 6.515 ( 1.887 -0.000 -5.081) 5.420 6.676 ( -2.004 0.000 0.821) 2.165 6.790 ( 10.953 -0.000 4.445) 11.821 6.892 ( 1.574 -0.000 -2.697) 3.123 7.099 ( -2.199 0.000 6.249) 6.625 7.143 ( 4.776 -0.000 -3.347) 5.832 7.222 ( -0.010 0.000 0.395) 0.395 7.575 ( -5.640 0.000 -0.763) 5.691 7.662 ( -1.861 0.000 4.595) 4.957 7.681 ( 10.283 -0.000 -13.102) 16.656 7.792 ( -2.309 0.000 7.171) 7.534 8.084 ( 3.354 -0.000 2.559) 4.219 8.144 ( 8.522 -0.000 -5.699) 10.252 8.258 ( -6.189 0.000 1.903) 6.475 8.718 ( 2.501 -0.000 -7.402) 7.813 9.015 ( 0.754 -0.000 1.608) 1.776 9.382 ( 6.696 -0.000 8.890) 11.130 9.566 ( 3.623 -0.000 -1.007) 3.760 9.610 ( 9.636 -0.000 -0.995) 9.687 9.714 ( -13.475 0.000 -13.417) 19.016 9.780 ( 9.718 -0.000 13.751) 16.838 10.879 ( -2.098 0.000 -3.888) 4.418 11.077 ( -6.031 0.000 -8.319) 10.276 11.813 ( 5.099 -0.000 2.057) 5.498 12.296 ( 0.083 -0.000 14.065) 14.065 12.522 ( -4.944 0.000 -1.210) 5.090 12.638 ( 0.745 -0.000 -1.964) 2.101 12.789 ( -2.988 0.000 -17.957) 18.204 13.210 ( -6.183 0.000 -2.979) 6.863 13.642 ( -3.770 0.000 -2.236) 4.383 13.747 ( 7.942 -0.000 -2.391) 8.294 14.130 ( -1.516 0.000 -6.051) 6.238 14.230 ( 5.677 -0.000 1.846) 5.969 15.678 ( 6.351 -0.000 -6.161) 8.848 16.419 ( -7.765 0.000 9.104) 11.965 16.460 ( -3.003 0.000 -7.154) 7.759 16.582 ( 4.141 -0.000 16.254) 16.773 16.586 ( -0.858 0.000 5.857) 5.919 16.910 ( 0.232 -0.000 3.743) 3.750 19.650 ( -25.651 0.000 -32.518) 41.418 19.800 ( 25.464 -0.000 -3.291) 25.676 20.798 ( -3.578 0.000 -0.128) 3.580 21.469 ( 4.095 -0.000 -5.538) 6.888 21.562 ( -4.651 0.000 -8.086) 9.328 21.931 ( 0.531 -0.000 -6.042) 6.066 21.946 ( 3.263 -0.000 14.035) 14.410 22.227 ( 1.315 -0.000 14.528) 14.588 22.488 ( -0.215 0.000 -1.412) 1.428 22.758 ( -4.287 0.000 0.990) 4.400 23.381 ( -12.929 0.000 4.236) 13.605 23.882 ( -0.967 0.000 -5.883) 5.962 24.706 ( -0.312 0.000 6.854) 6.861 25.727 ( -7.760 0.000 -20.563) 21.979 26.706 ( -0.199 0.000 -8.235) 8.237 26.731 ( 7.933 -0.000 4.521) 9.130 26.999 ( 1.851 -0.000 -0.313) 1.877 27.104 ( 0.788 -0.000 -8.223) 8.261 27.665 ( -5.058 0.000 -6.149) 7.962 28.043 ( 0.190 -0.000 -1.179) 1.194 28.442 ( -0.697 0.000 5.355) 5.400 28.463 ( 3.951 -0.000 -4.073) 5.675 28.984 ( -10.641 0.000 -22.410) 24.808 29.354 ( -4.809 0.000 -8.395) 9.675 29.714 ( 17.340 -0.000 17.680) 24.764 30.362 ( -1.682 0.000 -4.930) 5.209 30.663 ( 8.884 -0.000 10.995) 14.136 30.761 ( 0.728 -0.000 -3.646) 3.718 31.002 ( -4.329 0.000 -1.775) 4.678 31.541 ( -7.952 0.000 18.815) 20.426 31.939 ( 0.372 -0.000 -0.548) 0.663 32.441 ( -0.682 0.000 2.368) 2.464 45.692 ( -2.846 0.000 4.222) 5.092 46.058 ( 3.741 -0.000 8.883) 9.639 48.011 ( 0.974 -0.000 -3.030) 3.182 48.223 ( -0.616 0.000 0.448) 0.762 48.342 ( -0.729 0.000 -1.885) 2.021 48.928 ( 1.997 -0.000 -6.742) 7.032 48.963 ( 1.157 -0.000 -1.091) 1.590 49.493 ( -0.793 0.000 -2.151) 2.292 88.009 ( 0.171 -0.000 -0.457) 0.488 88.099 ( -0.365 0.000 -2.056) 2.088 88.916 ( -6.032 0.000 -12.376) 13.767 88.996 ( -1.703 0.000 1.080) 2.017 89.386 ( -2.280 0.000 6.697) 7.074 90.029 ( -1.245 0.000 -0.954) 1.569 91.179 ( -1.668 0.000 1.680) 2.368 92.997 ( 9.356 -0.000 4.955) 10.587 97.448 ( 0.636 -0.000 -0.421) 0.762 97.671 ( -0.588 0.000 3.426) 3.476 97.806 ( -2.231 0.000 1.762) 2.843 98.159 ( 5.761 -0.000 14.292) 15.409 99.415 ( -0.179 0.000 0.267) 0.321 99.568 ( 1.108 -0.000 -1.437) 1.815 99.617 ( -4.462 0.000 -9.142) 10.173 100.139 ( -7.154 0.000 -7.039) 10.037 ======================= Grid point 76 (35/118) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.937 -0.000 39.795) 39.806 1.706 ( 4.657 -0.000 42.617) 42.871 2.854 ( -9.814 0.000 12.669) 16.025 2.917 ( 7.236 -0.000 65.019) 65.420 4.151 ( 1.897 -0.000 -0.731) 2.033 4.694 ( -7.181 0.000 8.442) 11.083 4.893 ( -1.493 0.000 6.717) 6.881 4.924 ( 14.439 -0.000 11.598) 18.520 5.174 ( 5.702 -0.000 0.480) 5.722 5.215 ( 5.849 -0.000 2.968) 6.559 5.422 ( -1.633 0.000 1.609) 2.293 5.576 ( -4.872 0.000 -7.858) 9.246 5.674 ( -4.760 0.000 2.039) 5.179 5.774 ( -1.161 0.000 -6.790) 6.889 5.918 ( -10.803 0.000 3.290) 11.293 6.076 ( 7.750 -0.000 -9.738) 12.445 6.316 ( -4.496 0.000 -11.745) 12.577 6.522 ( 1.837 -0.000 -5.929) 6.207 6.765 ( 1.323 -0.000 -4.920) 5.095 6.878 ( -14.550 0.000 -6.737) 16.034 6.893 ( 1.453 -0.000 2.915) 3.257 6.928 ( -9.824 0.000 -3.524) 10.437 7.278 ( 8.705 -0.000 -6.891) 11.103 7.449 ( 0.574 -0.000 -4.093) 4.133 7.565 ( -6.594 0.000 -11.327) 13.106 7.766 ( -8.949 0.000 5.260) 10.380 7.946 ( 10.897 -0.000 5.569) 12.238 8.138 ( 2.895 -0.000 -9.904) 10.318 8.216 ( -5.122 0.000 5.987) 7.879 8.557 ( 0.334 -0.000 -0.368) 0.497 8.695 ( 14.578 -0.000 11.763) 18.732 8.884 ( -9.628 0.000 -11.070) 14.671 8.892 ( 1.042 -0.000 -2.632) 2.831 9.177 ( -13.009 0.000 -13.655) 18.859 9.734 ( -5.614 0.000 -3.442) 6.585 9.914 ( 4.515 -0.000 3.935) 5.989 10.065 ( 11.954 -0.000 5.846) 13.308 10.411 ( -6.615 0.000 -6.168) 9.044 10.855 ( 10.389 -0.000 4.559) 11.345 11.719 ( -5.955 0.000 -3.736) 7.030 12.244 ( -0.550 0.000 -2.784) 2.837 12.422 ( 5.965 -0.000 -0.408) 5.979 12.805 ( 0.904 -0.000 2.181) 2.361 12.953 ( 6.408 -0.000 -14.434) 15.792 13.489 ( -0.379 0.000 5.895) 5.907 13.513 ( 2.114 -0.000 -2.597) 3.349 13.744 ( 4.251 -0.000 -10.566) 11.389 14.122 ( -9.306 0.000 -5.197) 10.659 14.158 ( -4.766 0.000 -7.581) 8.955 15.744 ( -4.092 0.000 -1.895) 4.509 16.319 ( 0.209 -0.000 -1.014) 1.035 16.442 ( -4.037 0.000 9.445) 10.272 16.774 ( 2.752 -0.000 6.115) 6.705 16.965 ( 3.632 -0.000 4.353) 5.669 17.195 ( -0.797 0.000 8.808) 8.844 18.631 ( 20.434 -0.000 2.815) 20.627 20.451 ( 11.420 -0.000 -0.211) 11.422 20.634 ( -8.433 0.000 4.013) 9.339 21.184 ( -0.702 0.000 -6.441) 6.479 21.450 ( 3.068 -0.000 -3.610) 4.738 21.743 ( 4.391 -0.000 -9.061) 10.069 21.841 ( -3.961 0.000 -5.077) 6.439 22.536 ( -9.565 0.000 7.478) 12.141 22.697 ( 0.304 -0.000 -4.436) 4.446 22.857 ( 2.484 -0.000 10.892) 11.171 23.119 ( -3.926 0.000 3.978) 5.589 23.998 ( 5.000 -0.000 3.834) 6.301 24.900 ( -3.917 0.000 11.528) 12.175 25.358 ( 11.273 -0.000 4.422) 12.109 26.459 ( 5.562 -0.000 -11.681) 12.938 26.973 ( 5.473 -0.000 -8.714) 10.290 27.006 ( 1.194 -0.000 2.827) 3.069 27.011 ( -8.416 0.000 -0.029) 8.416 27.311 ( 6.039 -0.000 -9.154) 10.967 27.920 ( -0.472 0.000 -5.447) 5.467 28.318 ( 0.254 -0.000 -3.718) 3.727 28.377 ( -5.891 0.000 -1.034) 5.981 28.610 ( 7.384 -0.000 0.874) 7.435 29.273 ( 8.253 -0.000 -4.044) 9.191 29.812 ( -2.668 0.000 -14.341) 14.587 30.320 ( 4.608 -0.000 0.372) 4.623 30.630 ( -10.567 0.000 -4.518) 11.492 30.897 ( -1.408 0.000 -2.426) 2.805 31.059 ( -1.890 0.000 -2.629) 3.237 31.818 ( -1.199 0.000 -2.262) 2.560 32.383 ( -2.582 0.000 -1.083) 2.799 32.581 ( 5.278 -0.000 10.750) 11.976 45.830 ( -1.114 0.000 9.443) 9.508 46.136 ( -7.440 0.000 5.596) 9.310 47.999 ( 2.474 -0.000 -2.199) 3.310 48.168 ( -0.934 0.000 -1.936) 2.150 48.252 ( 0.688 -0.000 -3.707) 3.771 48.657 ( 3.335 -0.000 -2.522) 4.182 48.930 ( 0.214 -0.000 -2.681) 2.690 49.489 ( -0.103 0.000 -0.074) 0.127 88.001 ( 0.358 -0.000 -0.583) 0.684 88.071 ( 1.735 -0.000 -1.732) 2.452 88.986 ( -0.971 0.000 1.444) 1.741 89.268 ( -6.113 0.000 -1.201) 6.230 89.809 ( -2.022 0.000 -8.085) 8.334 90.520 ( 51.476 -0.000 -1.909) 51.512 91.268 ( -0.598 0.000 5.328) 5.362 92.496 ( -32.270 0.000 2.932) 32.403 97.518 ( 1.310 -0.000 2.216) 2.574 97.721 ( -2.223 0.000 3.355) 4.024 97.735 ( -2.318 0.000 -0.993) 2.522 98.308 ( -8.111 0.000 2.696) 8.547 99.365 ( -0.759 0.000 -1.259) 1.470 99.562 ( 0.948 -0.000 -1.801) 2.035 99.937 ( 3.858 -0.000 -3.332) 5.097 100.149 ( 16.518 -0.000 0.178) 16.518 ======================= Grid point 77 (36/118) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.759 -2.028 37.010) 37.511 1.972 ( 0.736 -9.587 38.013) 39.210 2.730 ( -16.152 -5.176 10.969) 20.199 3.535 ( 19.761 -3.498 49.484) 53.399 4.109 ( -3.405 3.630 -0.648) 5.019 4.490 ( -15.766 -2.314 9.467) 18.535 4.858 ( -1.914 5.420 5.195) 7.748 5.085 ( 2.055 10.598 4.216) 11.589 5.185 ( -19.538 3.522 7.715) 21.300 5.267 ( 5.389 0.094 2.960) 6.149 5.404 ( 8.226 2.208 5.184) 9.971 5.539 ( 0.947 -3.308 -3.912) 5.210 5.594 ( 4.431 3.592 -3.066) 6.475 5.795 ( -3.876 -3.403 -2.702) 5.823 5.887 ( 4.418 -5.698 -0.153) 7.212 6.160 ( 7.420 -0.316 -9.024) 11.687 6.298 ( 6.958 -0.350 -7.100) 9.947 6.499 ( -3.508 -2.974 -9.981) 10.990 6.694 ( -4.341 -0.683 -5.853) 7.319 6.728 ( -5.195 0.583 -1.553) 5.453 6.743 ( -1.176 2.060 -0.806) 2.505 6.962 ( 1.377 -0.365 0.447) 1.493 7.287 ( -9.730 0.014 -11.081) 14.746 7.379 ( -2.964 -3.931 -7.042) 8.593 7.481 ( 5.322 0.143 -0.938) 5.406 7.670 ( -1.484 3.032 3.252) 4.687 8.066 ( -1.716 0.795 -1.815) 2.621 8.114 ( -0.254 -0.654 -3.154) 3.231 8.184 ( -3.432 -2.998 4.253) 6.234 8.543 ( 0.342 5.952 -0.948) 6.037 8.703 ( -4.972 -4.179 -3.861) 7.556 8.933 ( 4.994 1.275 1.840) 5.473 9.017 ( 0.793 -1.052 -8.518) 8.619 9.043 ( 13.763 -2.404 7.175) 15.706 9.619 ( -3.611 3.589 -3.685) 6.285 9.954 ( -0.832 0.357 -3.763) 3.870 10.134 ( -11.463 0.517 6.856) 13.367 10.378 ( 13.059 -0.848 -9.470) 16.153 11.015 ( 6.577 2.137 2.405) 7.322 11.637 ( -4.154 -2.904 -0.745) 5.123 12.223 ( 0.222 1.701 0.330) 1.747 12.531 ( 6.227 0.019 0.775) 6.275 12.821 ( -0.453 -1.821 -1.412) 2.349 12.967 ( 4.713 1.784 -16.197) 16.963 13.453 ( -1.518 3.400 7.285) 8.181 13.561 ( -0.211 -0.598 -3.384) 3.443 13.715 ( -2.249 1.603 -10.149) 10.519 13.904 ( -2.141 1.130 -3.811) 4.515 14.040 ( -6.538 -1.679 -7.639) 10.194 15.616 ( -7.803 0.792 -2.816) 8.333 16.334 ( -0.743 -2.876 -1.288) 3.237 16.452 ( -0.553 -0.164 9.783) 9.800 16.837 ( 4.647 4.411 7.179) 9.622 16.956 ( -4.739 -0.443 5.783) 7.490 17.266 ( -0.215 0.006 11.025) 11.027 19.035 ( 30.535 8.981 -7.022) 32.594 20.337 ( -19.995 -3.302 -1.672) 20.335 20.732 ( 7.486 -4.655 3.723) 9.569 21.151 ( 2.173 2.922 -4.153) 5.523 21.458 ( 0.511 2.908 -3.741) 4.766 21.730 ( 1.578 2.908 -4.551) 5.626 21.863 ( 3.567 -7.493 -6.898) 10.791 22.476 ( -10.940 -12.132 2.316) 16.500 22.639 ( 1.067 5.240 -5.754) 7.855 22.942 ( 1.512 2.239 14.135) 14.391 23.213 ( 2.528 -11.584 -0.090) 11.857 24.086 ( 4.553 1.774 4.166) 6.421 24.915 ( -3.873 -4.228 10.727) 12.164 25.547 ( 11.410 6.058 0.478) 12.927 26.500 ( 6.226 2.498 -8.890) 11.137 26.822 ( -10.844 -0.943 -1.549) 10.995 27.005 ( 4.701 1.302 -4.710) 6.781 27.089 ( 1.735 -6.068 -3.525) 7.229 27.382 ( 8.309 4.841 -5.869) 11.266 27.910 ( 0.450 -2.324 -5.308) 5.812 28.323 ( 3.888 -0.163 -6.184) 7.306 28.380 ( -3.429 -11.485 -3.710) 12.547 28.765 ( 8.485 -2.244 1.950) 8.991 29.329 ( 9.673 11.963 -5.622) 16.380 29.703 ( -5.017 -2.272 -13.422) 14.508 30.354 ( -4.655 4.160 -3.150) 6.993 30.433 ( -0.490 -1.632 -0.749) 1.862 30.840 ( -1.709 2.083 -1.719) 3.196 31.078 ( -1.907 -6.017 -1.429) 6.472 31.780 ( -2.683 -1.779 -0.765) 3.309 32.333 ( -2.415 1.110 -1.107) 2.879 32.564 ( -6.633 4.418 11.493) 13.986 45.869 ( -0.286 -0.879 9.776) 9.819 46.041 ( -6.179 1.045 7.253) 9.585 48.022 ( 1.923 1.018 -3.027) 3.728 48.149 ( -0.250 -0.417 -1.136) 1.236 48.264 ( 1.064 -1.990 -3.735) 4.364 48.699 ( 3.609 1.204 -4.192) 5.661 48.917 ( -0.099 0.008 -2.792) 2.794 49.495 ( 0.726 -0.239 -0.281) 0.814 88.012 ( 0.088 -1.370 -0.789) 1.584 88.094 ( 2.333 0.706 -1.574) 2.901 88.977 ( -0.393 0.608 1.170) 1.376 89.149 ( -6.319 0.260 -1.057) 6.412 89.721 ( -2.480 2.664 -7.278) 8.137 91.123 ( 32.012 12.217 -16.665) 38.102 91.299 ( -6.217 -5.029 3.682) 8.803 91.935 ( -24.673 5.010 19.872) 32.074 97.531 ( 0.003 1.558 1.203) 1.968 97.702 ( 0.201 -0.978 3.408) 3.551 97.729 ( -2.462 -2.747 0.082) 3.689 98.175 ( -5.921 3.731 5.891) 9.148 99.381 ( -1.086 -5.022 -1.485) 5.348 99.589 ( 0.709 -2.824 -1.579) 3.312 99.966 ( 3.451 2.491 -3.571) 5.556 100.333 ( 6.417 1.239 -3.936) 7.629 ======================= Grid point 78 (37/118) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 10.978 -7.723 23.802) 27.325 2.289 ( 3.579 -6.858 28.716) 29.740 2.539 ( -15.842 -0.066 9.979) 18.723 3.486 ( -25.163 13.098 7.881) 29.443 4.254 ( 2.106 -10.031 11.372) 15.309 4.464 ( 0.849 0.655 12.170) 12.217 4.662 ( -28.909 4.333 11.241) 31.319 4.805 ( -3.129 0.476 8.584) 9.149 4.989 ( -1.898 8.936 4.872) 10.353 5.313 ( 0.014 3.461 -3.474) 4.904 5.448 ( 1.559 1.943 -0.083) 2.492 5.641 ( 3.332 1.878 0.022) 3.824 5.729 ( 14.730 4.700 5.944) 16.565 5.787 ( 1.828 -3.968 4.850) 6.527 6.013 ( 0.456 -4.094 4.307) 5.960 6.197 ( -1.519 -3.007 -2.415) 4.145 6.384 ( 1.398 -0.348 -2.193) 2.624 6.538 ( 8.054 -7.332 -8.871) 14.047 6.627 ( 2.113 2.758 1.545) 3.802 6.727 ( 7.351 -1.659 -8.645) 11.468 6.790 ( 8.554 0.993 -4.221) 9.590 6.935 ( -3.935 0.434 -2.822) 4.862 7.120 ( -5.089 -4.452 -9.990) 12.063 7.359 ( -3.237 -4.640 -3.570) 6.689 7.596 ( 8.402 1.125 1.022) 8.539 7.661 ( 3.268 4.323 0.908) 5.495 7.881 ( -11.836 0.467 -9.277) 15.045 8.109 ( -2.925 -1.062 4.724) 5.657 8.218 ( -0.667 -3.024 2.307) 3.861 8.430 ( -3.064 4.318 -3.198) 6.186 8.722 ( 2.488 -0.896 -3.285) 4.217 8.911 ( -1.919 0.383 -1.449) 2.435 9.159 ( 8.872 -2.881 1.104) 9.393 9.313 ( 10.305 -1.551 7.409) 12.786 9.514 ( 0.905 4.267 -3.241) 5.434 9.808 ( -9.208 3.313 -4.664) 10.841 9.981 ( -7.715 -0.871 -2.768) 8.243 10.587 ( 13.444 -1.036 -8.985) 16.203 11.020 ( -3.934 0.472 -1.939) 4.411 11.651 ( 0.267 -3.384 1.540) 3.728 12.211 ( -1.363 -0.213 2.476) 2.834 12.612 ( 3.746 1.474 -0.118) 4.027 12.801 ( -2.098 -1.225 -5.458) 5.975 12.929 ( 2.618 4.089 -10.545) 11.609 13.391 ( -7.928 -0.746 -4.503) 9.148 13.471 ( 1.558 3.630 0.021) 3.951 13.683 ( -0.507 -1.336 -3.376) 3.666 13.937 ( 1.758 -1.675 -7.607) 7.985 13.982 ( 3.801 -2.194 -1.827) 4.754 15.492 ( -4.849 -0.358 0.552) 4.894 16.344 ( -1.905 -3.207 -1.977) 4.221 16.509 ( 0.728 -1.328 9.009) 9.136 16.867 ( 0.177 4.712 9.495) 10.601 16.900 ( -2.051 2.661 2.989) 4.497 17.283 ( -0.578 3.036 11.144) 11.565 19.327 ( 27.236 13.659 -5.977) 31.050 19.979 ( -28.566 -6.239 -3.025) 29.395 20.917 ( 4.640 -5.568 -0.662) 7.278 21.140 ( 3.152 2.933 -3.059) 5.282 21.394 ( 0.616 3.207 -3.115) 4.513 21.735 ( 3.637 1.524 -2.487) 4.662 21.985 ( 1.341 -8.717 -6.593) 11.012 22.413 ( -12.129 -4.537 3.415) 13.392 22.614 ( 3.787 -0.644 -7.364) 8.306 22.982 ( 2.471 6.707 14.500) 16.166 23.425 ( 4.420 -12.194 -4.492) 13.726 24.126 ( 3.385 5.616 2.733) 7.104 24.962 ( -3.992 -5.134 9.222) 11.285 25.570 ( 4.269 9.155 1.340) 10.190 26.486 ( 0.734 2.580 -7.116) 7.604 26.719 ( -2.702 -1.024 1.334) 3.182 27.050 ( 5.056 1.043 -7.571) 9.164 27.181 ( 0.528 -8.394 -4.666) 9.619 27.384 ( 5.932 8.704 -5.793) 12.021 27.926 ( 0.642 -1.998 -6.109) 6.459 28.363 ( 5.851 1.816 -8.880) 10.788 28.502 ( -3.214 -18.557 -6.152) 19.813 28.948 ( 4.747 -5.605 2.539) 7.771 29.249 ( 7.680 16.341 -9.047) 20.195 29.547 ( -6.246 2.649 -6.598) 9.463 30.274 ( 0.313 -2.484 -3.492) 4.297 30.458 ( -0.339 -0.004 -2.532) 2.554 30.828 ( 4.242 2.270 2.285) 5.326 31.095 ( -2.951 -3.826 -0.861) 4.908 31.782 ( -0.879 -3.768 -2.834) 4.796 32.236 ( -5.813 4.941 5.226) 9.248 32.468 ( -5.004 0.860 9.770) 11.011 45.915 ( -2.165 -0.162 9.378) 9.626 45.986 ( -2.786 -0.722 7.923) 8.430 48.005 ( 0.850 2.023 -3.882) 4.460 48.163 ( 0.613 -1.336 -0.468) 1.543 48.295 ( 1.350 -2.117 -3.758) 4.519 48.707 ( 1.264 0.159 -4.588) 4.762 48.905 ( 0.010 -0.270 -2.629) 2.643 49.509 ( 1.268 0.589 -0.795) 1.609 88.026 ( -0.240 -1.609 -1.290) 2.076 88.111 ( 2.692 2.109 -1.549) 3.754 88.964 ( -1.009 0.771 1.004) 1.619 89.063 ( -4.367 -1.386 0.311) 4.592 89.599 ( -2.602 4.615 -4.726) 7.099 90.936 ( -13.778 18.532 -0.428) 23.096 91.320 ( 6.206 2.086 -0.440) 6.562 91.960 ( 2.005 -13.283 11.191) 17.484 97.503 ( -0.329 2.087 0.113) 2.116 97.714 ( -2.345 -1.180 2.185) 3.416 97.783 ( 1.684 -4.855 3.418) 6.172 98.083 ( -3.333 3.051 6.579) 7.981 99.425 ( -2.228 -6.749 -1.803) 7.332 99.630 ( 1.252 -1.452 -0.967) 2.147 99.949 ( 1.427 3.708 -4.799) 6.230 100.323 ( 3.312 8.005 -5.293) 10.152 ======================= Grid point 79 (38/118) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -20.747 7.666 11.382) 24.875 2.349 ( -18.536 5.003 -4.079) 19.628 2.623 ( 10.988 3.079 20.468) 23.434 3.109 ( 1.280 1.369 26.194) 26.261 4.045 ( -30.795 8.421 23.789) 39.814 4.388 ( -7.818 5.153 0.883) 9.405 4.515 ( -5.563 -18.857 4.599) 20.191 4.796 ( 0.745 4.454 1.427) 4.736 5.025 ( 3.885 -1.329 13.913) 14.506 5.175 ( -3.827 6.598 -5.492) 9.399 5.435 ( -0.622 1.098 0.440) 1.337 5.649 ( -0.287 -1.853 -2.683) 3.273 5.844 ( 5.279 -1.224 -1.717) 5.685 5.938 ( 0.093 -0.617 2.555) 2.630 6.043 ( -2.702 -2.065 11.968) 12.442 6.217 ( 0.017 0.085 -1.091) 1.094 6.497 ( 7.901 0.765 7.095) 10.647 6.623 ( -0.361 -4.112 -3.550) 5.444 6.718 ( 8.575 0.271 -3.906) 9.426 6.847 ( 0.945 0.509 -1.883) 2.167 6.882 ( 6.338 -3.258 -5.993) 9.311 6.999 ( 17.283 -0.774 0.267) 17.302 7.130 ( 4.424 -3.720 -9.137) 10.812 7.338 ( -3.398 -1.048 -5.637) 6.665 7.589 ( -11.230 -2.253 -3.048) 11.853 7.655 ( 0.913 2.155 -4.381) 4.966 7.779 ( 8.628 -0.033 -0.803) 8.666 8.090 ( -6.211 -1.905 7.060) 9.594 8.246 ( 2.186 1.194 0.927) 2.658 8.335 ( -0.554 2.713 -1.859) 3.336 8.704 ( 1.198 4.699 -7.791) 9.177 8.908 ( -1.471 -3.670 1.151) 4.118 9.305 ( 5.513 0.198 1.616) 5.748 9.459 ( 4.478 -4.027 -1.916) 6.320 9.579 ( 3.217 4.329 2.241) 5.841 9.621 ( -1.994 -2.185 -0.151) 2.962 9.842 ( -6.540 1.284 -2.901) 7.269 10.737 ( 7.726 -0.492 -8.786) 11.710 10.871 ( -12.562 -3.442 -8.432) 15.516 11.729 ( 4.321 -1.463 0.673) 4.611 12.209 ( -3.414 -3.661 3.792) 6.281 12.599 ( -0.714 1.849 -3.987) 4.452 12.738 ( -1.855 3.452 -11.194) 11.861 12.879 ( 2.820 3.885 2.976) 5.648 13.261 ( -3.898 0.697 -4.115) 5.711 13.493 ( 0.943 -2.983 -4.996) 5.895 13.663 ( -0.432 0.081 -1.211) 1.288 13.958 ( 2.412 -1.204 -6.466) 7.005 14.113 ( 6.772 -2.196 -1.296) 7.236 15.495 ( 1.971 -2.156 4.437) 5.313 16.336 ( -2.023 -2.537 -2.498) 4.095 16.580 ( 0.180 -1.752 8.294) 8.479 16.781 ( -8.421 1.001 5.944) 10.356 16.871 ( 3.032 7.569 3.933) 9.053 17.294 ( 2.361 5.407 11.020) 12.500 19.527 ( -23.261 -4.652 -6.524) 24.602 19.586 ( 16.711 8.922 -3.345) 19.237 20.960 ( 0.947 4.608 -1.827) 5.046 21.188 ( 1.613 -6.674 -6.142) 9.212 21.391 ( 3.372 1.144 -2.798) 4.529 21.774 ( 4.218 1.215 -2.059) 4.848 22.040 ( -4.160 -6.930 -9.171) 12.225 22.296 ( -6.841 -1.582 9.568) 11.868 22.669 ( 3.838 -1.793 -6.629) 7.867 22.986 ( 3.209 10.304 13.801) 17.520 23.607 ( 4.243 -8.182 -4.891) 10.434 24.052 ( 0.698 12.963 -0.348) 12.986 24.977 ( -4.188 -1.191 8.161) 9.250 25.516 ( -1.088 4.000 2.041) 4.620 26.432 ( -1.895 -1.904 -7.906) 8.350 26.744 ( 3.895 1.092 3.309) 5.226 27.048 ( 3.461 4.081 -10.555) 11.834 27.231 ( -0.584 1.871 -3.590) 4.090 27.352 ( 3.011 -1.069 -8.156) 8.760 27.927 ( 0.742 -1.536 -5.886) 6.128 28.388 ( 4.957 1.676 -9.584) 10.919 28.640 ( -4.092 -13.986 -6.419) 15.923 28.980 ( -7.433 -1.436 -0.591) 7.593 29.105 ( 2.646 10.721 -13.183) 17.197 29.533 ( 8.761 -0.968 5.638) 10.464 30.325 ( 2.714 0.040 -2.961) 4.017 30.417 ( -2.853 -3.907 -5.800) 7.553 30.933 ( 9.059 3.010 8.166) 12.562 31.085 ( 0.282 0.543 -1.662) 1.771 31.779 ( -3.102 -2.741 -7.430) 8.505 32.123 ( -4.043 4.318 14.783) 15.923 32.453 ( -2.600 -1.661 5.001) 5.877 45.878 ( -4.467 1.220 8.312) 9.515 46.048 ( 0.256 -3.523 8.906) 9.581 47.977 ( 0.948 1.622 -3.679) 4.131 48.184 ( 0.158 -1.242 -1.056) 1.638 48.318 ( 1.317 -0.357 -3.642) 3.889 48.705 ( -0.669 -2.602 -5.107) 5.770 48.904 ( 0.604 -0.751 -2.255) 2.453 49.510 ( 1.109 1.681 -0.954) 2.229 88.033 ( -0.322 -1.426 -1.891) 2.391 88.111 ( 2.696 3.840 -1.870) 5.051 88.941 ( -1.182 0.240 3.338) 3.549 89.034 ( -2.527 -1.628 0.857) 3.126 89.501 ( -0.703 3.522 -0.237) 3.599 90.493 ( -12.780 14.513 0.268) 19.340 91.360 ( 4.303 5.279 0.409) 6.823 92.249 ( -0.009 -20.584 8.723) 22.356 97.478 ( 0.288 1.624 0.145) 1.655 97.703 ( -1.924 -1.234 2.409) 3.321 97.882 ( 0.505 -3.022 3.286) 4.492 98.062 ( -0.770 -1.608 7.919) 8.117 99.459 ( -2.903 -6.499 -1.422) 7.259 99.639 ( 1.510 4.443 0.071) 4.693 99.886 ( -1.037 0.922 -6.733) 6.874 100.216 ( 5.462 14.792 -7.413) 17.424 ======================= Grid point 80 (39/118) ======================= q-point: (-0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -27.333 13.344 12.416) 32.853 1.816 ( -18.680 13.714 16.510) 28.453 2.839 ( 13.156 10.463 18.528) 25.017 3.241 ( -20.481 9.993 42.187) 47.949 3.822 ( 8.384 -7.898 13.438) 17.699 4.196 ( -7.287 -0.177 -0.362) 7.298 4.725 ( -3.280 -17.441 6.117) 18.771 4.809 ( 3.517 -1.163 0.728) 3.775 5.003 ( -5.115 4.664 4.694) 8.364 5.141 ( 2.956 1.511 3.100) 4.542 5.420 ( -0.266 0.540 1.774) 1.873 5.662 ( -0.181 -3.653 -4.517) 5.812 5.888 ( -5.699 0.979 3.343) 6.679 5.910 ( 2.110 0.844 -1.058) 2.507 6.047 ( -0.532 -0.250 -6.864) 6.889 6.208 ( -3.502 0.328 6.438) 7.336 6.494 ( -2.280 0.936 1.024) 2.669 6.638 ( -3.473 -5.109 -8.346) 10.384 6.782 ( 1.199 3.408 -1.463) 3.898 6.869 ( -0.334 2.265 -3.860) 4.488 7.004 ( 6.771 -2.874 -6.416) 9.761 7.202 ( -2.176 -2.282 0.755) 3.242 7.288 ( 5.771 -3.056 -12.390) 14.005 7.318 ( 14.729 0.601 11.419) 18.647 7.498 ( -0.518 -1.936 -6.713) 7.006 7.598 ( -1.071 0.617 -8.009) 8.104 7.975 ( 8.750 -0.911 6.263) 10.799 8.013 ( -5.836 -2.232 2.818) 6.854 8.280 ( 6.762 5.613 0.596) 8.809 8.311 ( -0.597 1.196 1.935) 2.352 8.620 ( -0.581 2.920 -5.403) 6.169 8.919 ( -1.446 -2.617 -3.586) 4.669 9.383 ( -6.620 -2.200 -10.367) 12.496 9.421 ( 1.381 -1.306 -4.099) 4.518 9.610 ( 3.876 -4.624 3.952) 7.213 9.759 ( 1.023 1.756 4.676) 5.098 9.797 ( 8.338 -1.579 4.657) 9.680 10.612 ( -15.372 -3.588 -11.889) 19.762 10.794 ( 0.811 -0.871 -7.281) 7.377 11.817 ( 5.273 0.869 -1.814) 5.644 12.231 ( -4.462 -7.255 2.904) 8.998 12.500 ( -4.739 4.200 -7.275) 9.645 12.632 ( 2.060 0.532 -4.141) 4.656 12.925 ( 6.038 5.704 3.135) 8.878 13.232 ( 1.948 -0.396 3.683) 4.185 13.512 ( -1.135 -4.168 -4.870) 6.510 13.676 ( 3.530 0.428 -4.055) 5.394 13.973 ( 0.216 -2.574 -3.960) 4.728 14.220 ( 4.041 -1.170 -2.393) 4.840 15.625 ( 6.081 -2.103 5.212) 8.280 16.328 ( -0.585 -1.458 -2.068) 2.597 16.609 ( -5.475 0.669 9.365) 10.869 16.664 ( -4.316 -1.120 1.878) 4.838 16.843 ( 2.588 6.517 4.422) 8.290 17.313 ( 4.120 7.750 8.200) 12.011 19.043 ( -33.372 -6.205 -7.554) 34.774 19.862 ( 24.901 7.802 -1.456) 26.135 20.877 ( -1.237 5.930 -0.366) 6.069 21.244 ( -1.869 -7.201 -9.809) 12.312 21.424 ( 4.160 2.106 -3.108) 5.604 21.799 ( 3.441 2.932 -8.045) 9.228 21.956 ( -7.221 -4.832 -5.573) 10.322 22.367 ( 0.265 -7.161 14.463) 16.141 22.708 ( 2.505 -0.024 -5.291) 5.854 22.948 ( 2.927 12.825 11.669) 17.584 23.712 ( 0.904 3.115 -5.908) 6.740 23.824 ( 0.305 14.194 -1.015) 14.233 24.945 ( -4.057 0.801 9.464) 10.328 25.425 ( -6.765 1.998 -0.182) 7.056 26.408 ( -0.082 -3.733 -10.349) 11.002 26.841 ( 6.635 0.531 3.368) 7.460 26.981 ( 2.620 5.015 -10.201) 11.665 27.129 ( 0.095 7.141 -3.812) 8.095 27.385 ( -1.864 -5.666 -8.633) 10.493 27.949 ( 2.158 -1.407 -4.652) 5.317 28.395 ( 2.627 0.365 -8.933) 9.318 28.593 ( -9.453 -1.470 -2.209) 9.819 28.832 ( -1.854 12.338 -4.843) 13.384 29.023 ( -1.077 -8.128 -8.586) 11.872 29.784 ( 9.485 -5.505 1.091) 11.021 30.291 ( -1.679 1.110 -2.560) 3.256 30.470 ( 2.453 -6.857 -3.564) 8.108 31.060 ( 0.135 3.231 4.683) 5.691 31.112 ( 11.334 4.470 2.209) 12.383 31.710 ( -0.789 -0.750 -5.905) 6.005 32.140 ( 0.491 1.084 18.429) 18.468 32.451 ( -2.564 -1.779 1.998) 3.706 45.835 ( -3.555 0.882 8.596) 9.344 46.140 ( -0.442 -4.467 7.693) 8.907 47.965 ( 1.504 0.936 -3.145) 3.609 48.191 ( -0.310 -1.085 -1.736) 2.070 48.310 ( 0.821 1.721 -3.567) 4.044 48.693 ( -2.908 -3.736 -6.233) 7.827 48.921 ( 1.051 -0.859 -2.081) 2.485 49.499 ( 0.929 1.848 -0.495) 2.127 88.035 ( -0.025 -0.752 -2.407) 2.522 88.082 ( 1.641 4.629 -2.345) 5.442 89.006 ( 5.930 -2.064 10.298) 12.061 89.015 ( -1.904 -0.706 1.596) 2.583 89.496 ( 2.688 1.412 5.031) 5.876 90.149 ( -8.099 10.430 -4.244) 13.870 91.337 ( 2.069 7.023 2.331) 7.684 92.549 ( -5.604 -26.393 7.458) 27.993 97.473 ( 0.913 1.060 0.705) 1.567 97.704 ( -1.718 -1.735 2.580) 3.552 97.883 ( -1.742 1.909 2.177) 3.379 98.183 ( 0.923 -8.934 8.242) 12.190 99.493 ( -1.418 -5.345 0.351) 5.542 99.551 ( -0.408 9.259 -0.658) 9.291 99.861 ( 1.473 -0.769 -6.300) 6.515 100.064 ( 7.422 19.074 -8.305) 22.088 ======================= Grid point 81 (40/118) ======================= q-point: (-0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.815 8.503 39.194) 40.287 1.547 ( -9.375 8.292 33.218) 35.498 2.865 ( -20.613 9.287 52.439) 57.105 2.933 ( -1.454 10.192 19.291) 21.866 4.080 ( 0.639 -6.854 -0.963) 6.951 4.401 ( 22.251 -5.623 9.257) 24.748 4.816 ( -2.279 -2.390 7.689) 8.368 4.888 ( -3.621 -1.570 7.360) 8.351 5.028 ( 4.978 -7.718 3.844) 9.956 5.149 ( 2.786 4.130 0.140) 4.984 5.423 ( -0.971 -0.776 2.527) 2.816 5.670 ( -3.260 -3.726 -6.326) 8.033 5.772 ( -7.377 -0.166 -1.581) 7.546 5.871 ( -0.497 5.647 -2.264) 6.104 6.017 ( 3.592 0.292 -10.732) 11.321 6.095 ( -11.276 1.439 7.742) 13.753 6.500 ( -3.983 0.214 -7.335) 8.349 6.512 ( -3.883 -0.764 -4.181) 5.757 6.726 ( 1.952 0.718 -1.026) 2.319 6.869 ( 1.376 0.115 -2.195) 2.593 7.067 ( 2.202 2.396 -9.303) 9.856 7.180 ( -10.896 -2.222 -9.368) 14.540 7.187 ( -3.568 -2.629 -2.812) 5.249 7.466 ( -0.103 -2.358 -8.730) 9.044 7.591 ( 4.795 2.173 1.093) 5.377 7.680 ( 17.925 0.289 1.433) 17.984 7.894 ( -9.960 -0.874 7.025) 12.220 8.146 ( 3.434 -0.508 -6.379) 7.263 8.275 ( -3.520 0.849 4.244) 5.579 8.398 ( 15.035 3.243 6.579) 16.729 8.570 ( -1.301 -0.229 -2.309) 2.660 8.906 ( -0.229 -0.547 -4.602) 4.639 9.140 ( -13.893 -0.772 -10.855) 17.648 9.435 ( -6.648 -3.401 -12.478) 14.542 9.763 ( 4.005 -4.526 4.566) 7.575 9.844 ( 5.894 0.616 4.418) 7.391 9.889 ( -1.022 -1.253 -4.119) 4.425 10.446 ( 1.684 0.475 -4.500) 4.828 10.760 ( -2.544 -1.465 -0.304) 2.951 11.825 ( -1.052 2.213 -4.330) 4.975 12.255 ( -3.208 -5.453 -2.173) 6.690 12.379 ( 0.372 1.910 -3.829) 4.295 12.727 ( 4.789 -3.512 1.485) 6.121 12.934 ( 5.668 5.657 -6.142) 10.092 13.370 ( 5.057 -4.239 7.550) 10.027 13.525 ( 1.331 0.463 -1.988) 2.437 13.714 ( 4.309 -0.161 -8.141) 9.212 14.059 ( 2.412 -9.618 1.968) 10.109 14.244 ( -0.058 0.255 -4.661) 4.668 15.745 ( 3.053 -0.532 2.511) 3.989 16.332 ( 0.837 0.862 -1.333) 1.795 16.502 ( -8.052 -0.118 7.546) 11.036 16.689 ( 0.805 -2.632 4.850) 5.577 16.852 ( 6.403 5.513 4.740) 9.688 17.273 ( -0.517 8.005 2.757) 8.482 18.593 ( -19.845 -1.651 2.239) 20.039 20.177 ( 21.295 3.368 0.725) 21.572 20.769 ( -4.694 3.619 0.882) 5.993 21.227 ( -3.021 -3.881 -8.612) 9.918 21.437 ( 3.625 3.139 -4.110) 6.315 21.749 ( 2.276 2.412 -11.373) 11.847 21.910 ( -4.678 -4.468 -4.221) 7.724 22.557 ( 0.912 -6.387 15.699) 16.973 22.698 ( -0.764 1.309 -1.814) 2.364 22.862 ( 1.886 11.919 5.747) 13.366 23.358 ( -9.150 18.040 -4.687) 20.764 23.886 ( 5.888 -0.813 2.332) 6.385 24.921 ( -3.212 1.413 11.425) 11.951 25.280 ( -4.412 1.831 3.006) 5.644 26.426 ( 3.215 -2.499 -12.077) 12.745 26.914 ( 3.362 0.207 -5.354) 6.326 26.988 ( 6.123 3.126 -0.066) 6.876 27.057 ( 0.491 2.173 -0.147) 2.233 27.339 ( -3.951 -2.567 -10.628) 11.625 27.957 ( 0.651 0.711 -5.844) 5.923 28.363 ( -4.924 -2.891 -5.360) 7.831 28.498 ( 0.456 2.362 1.075) 2.635 28.594 ( -2.656 11.624 -3.227) 12.353 29.133 ( 3.817 -8.121 -5.460) 10.504 29.892 ( 1.214 -0.867 -10.534) 10.639 30.269 ( 1.140 -0.173 -1.049) 1.559 30.622 ( 1.503 -10.469 -0.669) 10.598 30.989 ( -1.112 6.770 -2.196) 7.204 31.148 ( -1.954 3.192 -1.503) 4.034 31.785 ( 7.547 -0.565 -4.129) 8.621 32.313 ( 9.727 -2.379 21.316) 23.551 32.427 ( -2.842 -0.909 -0.193) 2.990 45.819 ( -2.257 0.515 9.015) 9.307 46.193 ( -3.866 -3.399 4.978) 7.161 47.973 ( 2.058 0.350 -2.549) 3.295 48.186 ( -0.652 -0.715 -2.077) 2.291 48.276 ( 0.374 2.064 -3.663) 4.221 48.652 ( -2.368 -1.800 -4.349) 5.269 48.933 ( 0.687 -0.272 -2.392) 2.503 49.493 ( 0.473 0.830 -0.109) 0.962 88.015 ( 0.248 2.255 -1.638) 2.798 88.057 ( 1.042 0.424 -1.829) 2.147 88.998 ( -1.692 -0.538 1.528) 2.342 89.273 ( 4.995 -6.619 4.298) 9.340 89.690 ( 24.576 0.021 16.274) 29.476 89.935 ( 0.700 6.608 -7.539) 10.049 91.287 ( 0.405 5.582 4.255) 7.030 92.740 ( -16.123 -23.152 1.406) 28.248 97.488 ( 1.330 0.379 1.540) 2.070 97.713 ( -1.889 -2.444 2.524) 3.989 97.817 ( -2.625 3.496 0.928) 4.469 98.333 ( -2.929 -9.587 3.738) 10.698 99.427 ( -1.085 6.078 -1.278) 6.305 99.552 ( 1.448 -1.514 0.404) 2.133 99.872 ( 8.777 7.355 -3.395) 11.944 99.969 ( 8.308 8.045 -2.629) 11.860 ======================= Grid point 83 (41/118) ======================= q-point: ( 0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 6.664 -0.000 30.250) 30.976 2.197 ( 10.269 -0.000 30.779) 32.446 2.523 ( -9.825 0.000 11.659) 15.247 3.738 ( -20.701 0.000 17.174) 26.898 4.058 ( -4.802 0.000 -3.989) 6.243 4.411 ( 7.474 -0.000 22.346) 23.563 4.715 ( -35.164 0.000 17.598) 39.322 4.879 ( -2.945 0.000 3.413) 4.508 5.151 ( -2.646 0.000 -0.800) 2.764 5.299 ( -0.998 0.000 2.825) 2.996 5.533 ( 4.464 -0.000 -8.614) 9.702 5.677 ( -1.857 0.000 2.252) 2.919 5.704 ( 0.345 -0.000 -8.161) 8.169 5.829 ( 24.276 -0.000 18.841) 30.730 5.981 ( 6.605 -0.000 6.912) 9.561 6.136 ( -7.435 0.000 -2.235) 7.763 6.341 ( -0.880 0.000 -10.626) 10.662 6.402 ( 5.335 -0.000 -4.729) 7.129 6.697 ( 2.371 -0.000 0.230) 2.382 6.732 ( 10.872 -0.000 -7.291) 13.090 6.745 ( 2.061 -0.000 -5.092) 5.493 6.992 ( -0.019 0.000 0.405) 0.406 7.036 ( -3.581 0.000 -14.910) 15.334 7.275 ( -5.682 0.000 -3.196) 6.519 7.587 ( 6.145 -0.000 5.129) 8.004 7.779 ( 8.741 -0.000 -1.874) 8.940 7.891 ( -14.463 0.000 -9.657) 17.391 8.106 ( -0.544 0.000 -1.334) 1.441 8.117 ( -5.257 0.000 9.748) 11.075 8.511 ( -5.669 0.000 -5.573) 7.950 8.680 ( 4.712 -0.000 0.770) 4.775 8.931 ( -2.028 0.000 -2.972) 3.598 9.099 ( 8.138 -0.000 -1.713) 8.317 9.305 ( 12.463 -0.000 11.207) 16.761 9.580 ( -0.817 0.000 -5.198) 5.262 9.880 ( -5.022 0.000 -11.305) 12.370 9.954 ( -10.440 0.000 3.758) 11.096 10.569 ( 13.801 -0.000 -9.966) 17.023 11.040 ( -5.992 0.000 -1.732) 6.237 11.594 ( 1.227 -0.000 2.452) 2.742 12.222 ( -1.840 0.000 0.274) 1.860 12.632 ( 4.718 -0.000 0.955) 4.814 12.772 ( -1.818 0.000 -2.688) 3.245 12.983 ( 3.710 -0.000 -15.652) 16.086 13.378 ( -7.765 0.000 -2.804) 8.256 13.564 ( -2.504 0.000 -6.259) 6.741 13.639 ( -1.620 0.000 3.915) 4.237 13.917 ( 5.851 -0.000 -7.527) 9.533 13.939 ( 0.513 -0.000 -3.349) 3.388 15.495 ( -5.311 0.000 -1.048) 5.413 16.299 ( -0.610 0.000 -1.280) 1.418 16.490 ( 0.211 -0.000 8.486) 8.488 16.894 ( -6.247 0.000 7.128) 9.478 17.001 ( 6.558 -0.000 7.072) 9.645 17.297 ( -2.564 0.000 11.468) 11.751 19.559 ( 28.576 -0.000 -11.680) 30.871 19.893 ( -29.055 0.000 -1.355) 29.086 20.790 ( 3.258 -0.000 -0.268) 3.269 21.218 ( 4.878 -0.000 -1.848) 5.216 21.496 ( 1.229 -0.000 -3.930) 4.118 21.684 ( -3.877 0.000 -4.498) 5.938 21.886 ( 5.988 -0.000 -1.683) 6.220 22.249 ( -8.121 0.000 5.293) 9.694 22.698 ( 5.842 -0.000 -11.702) 13.080 23.072 ( 2.777 -0.000 14.747) 15.006 23.222 ( 6.360 -0.000 2.273) 6.754 24.200 ( 5.652 -0.000 2.574) 6.210 24.862 ( -4.895 0.000 10.879) 11.930 25.764 ( 8.186 -0.000 -1.738) 8.368 26.600 ( 7.592 -0.000 -8.361) 11.293 26.604 ( -10.646 0.000 -3.321) 11.152 27.071 ( 1.459 -0.000 2.359) 2.774 27.076 ( 5.251 -0.000 -8.808) 10.254 27.524 ( 6.980 -0.000 -4.979) 8.574 27.886 ( 1.542 -0.000 -4.735) 4.979 28.199 ( -3.186 0.000 -1.530) 3.534 28.375 ( 2.917 -0.000 -10.933) 11.315 28.864 ( 4.089 -0.000 -2.620) 4.856 29.533 ( -5.180 0.000 -6.038) 7.955 29.589 ( 11.895 -0.000 -5.620) 13.155 30.155 ( -9.823 0.000 -7.093) 12.116 30.493 ( 1.796 -0.000 -1.667) 2.451 30.882 ( 6.481 -0.000 -3.137) 7.200 31.020 ( -1.772 0.000 6.450) 6.689 31.725 ( -1.300 0.000 -2.319) 2.658 32.294 ( -3.154 0.000 0.019) 3.154 32.498 ( -9.293 0.000 12.352) 15.457 45.906 ( -0.110 0.000 9.828) 9.829 45.983 ( -5.626 0.000 7.376) 9.277 48.039 ( 0.786 -0.000 -4.074) 4.150 48.145 ( 0.905 -0.000 -0.213) 0.929 48.258 ( 1.739 -0.000 -3.417) 3.834 48.712 ( 0.042 -0.000 -5.623) 5.623 48.899 ( -0.354 0.000 -2.827) 2.849 49.519 ( 2.105 -0.000 -0.408) 2.145 88.002 ( 0.025 -0.000 -0.731) 0.731 88.140 ( 3.177 -0.000 -1.227) 3.405 88.984 ( -0.086 0.000 1.142) 1.145 89.035 ( -6.052 0.000 -0.884) 6.116 89.678 ( -1.223 0.000 -7.741) 7.837 91.082 ( -20.708 0.000 7.857) 22.148 91.474 ( 10.116 -0.000 -14.608) 17.769 91.790 ( -1.010 0.000 12.904) 12.943 97.535 ( -1.570 0.000 0.606) 1.683 97.692 ( 0.469 -0.000 -0.631) 0.787 97.719 ( 0.344 -0.000 5.446) 5.457 98.135 ( -4.596 0.000 6.026) 7.579 99.321 ( -1.571 0.000 -1.339) 2.064 99.560 ( 0.064 -0.000 -1.892) 1.893 100.006 ( 0.965 -0.000 -2.576) 2.751 100.454 ( 7.193 -0.000 -2.159) 7.510 ======================= Grid point 84 (42/118) ======================= q-point: ( 0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -5.606 2.619 7.377) 9.629 2.351 ( 4.067 -2.810 6.251) 7.969 2.658 ( 12.712 0.080 25.933) 28.882 3.296 ( -19.075 9.716 17.166) 27.440 4.040 ( -8.243 -11.360 1.856) 14.158 4.165 ( -31.984 -1.566 21.945) 38.820 4.662 ( -0.736 11.334 13.728) 17.817 4.859 ( 1.006 -1.492 10.752) 10.902 5.051 ( -2.094 5.327 2.373) 6.196 5.300 ( -2.377 -2.952 -4.277) 5.715 5.450 ( -5.290 4.907 -6.029) 9.403 5.618 ( -6.181 -3.090 -3.258) 7.640 5.704 ( 2.170 -4.486 -4.978) 7.044 6.010 ( -5.324 0.282 6.885) 8.708 6.033 ( 5.565 3.806 3.354) 7.530 6.250 ( 4.894 3.541 1.668) 6.267 6.428 ( 2.761 -8.999 -3.958) 10.211 6.510 ( 15.224 0.329 13.207) 20.156 6.723 ( 3.143 0.005 -1.944) 3.696 6.795 ( 3.506 -1.205 -4.323) 5.695 6.896 ( 8.815 -4.093 -5.235) 11.039 6.952 ( 2.973 3.448 -4.073) 6.108 7.098 ( 11.082 1.060 -10.072) 15.013 7.244 ( 2.374 -6.177 -5.352) 8.511 7.552 ( -18.463 -0.286 -7.444) 19.909 7.690 ( 0.608 0.121 3.177) 3.237 7.880 ( 11.009 6.760 -3.028) 13.269 8.057 ( -6.323 -0.189 7.827) 10.063 8.154 ( 0.582 -6.757 1.660) 6.982 8.411 ( -1.830 2.256 -2.523) 3.847 8.757 ( 3.292 -0.393 -2.514) 4.160 8.870 ( -3.753 0.663 0.830) 3.900 9.215 ( 2.843 -3.920 2.198) 5.317 9.489 ( 5.642 4.478 0.488) 7.220 9.598 ( 5.082 -1.793 0.559) 5.418 9.687 ( -6.260 3.088 -10.300) 12.442 9.850 ( -4.299 -0.256 0.458) 4.331 10.718 ( 9.020 -0.744 -11.207) 14.405 10.829 ( -15.533 -0.204 -6.044) 16.669 11.685 ( 6.207 -1.321 2.960) 7.002 12.179 ( -2.871 0.232 0.454) 2.916 12.647 ( -1.661 1.370 -2.758) 3.499 12.766 ( 1.766 -0.525 -3.320) 3.797 12.951 ( 1.703 1.729 -9.898) 10.191 13.264 ( -4.289 -0.135 -1.593) 4.578 13.439 ( -5.798 -1.133 -7.184) 9.301 13.675 ( 2.382 0.591 2.694) 3.644 13.961 ( 5.072 1.609 -6.316) 8.259 14.035 ( 6.463 -3.470 -2.788) 7.847 15.464 ( 1.375 -0.445 3.211) 3.521 16.293 ( -0.279 -0.831 -1.278) 1.550 16.538 ( 0.359 -1.060 7.391) 7.475 16.800 ( -8.573 0.407 6.165) 10.567 17.084 ( 4.698 7.552 5.900) 10.673 17.317 ( -1.927 -2.672 10.404) 10.914 19.388 ( -32.555 -3.124 -2.165) 32.777 19.886 ( 24.865 9.190 -7.860) 27.649 20.862 ( 1.500 -6.509 -4.365) 7.980 21.263 ( 4.712 6.786 -1.069) 8.330 21.438 ( 0.302 3.232 -3.052) 4.456 21.674 ( -3.533 -9.155 -4.000) 10.597 21.951 ( 3.178 1.072 -3.199) 4.635 22.209 ( -5.989 -3.783 11.529) 13.532 22.726 ( 7.890 3.641 -13.449) 16.012 23.158 ( 2.411 3.339 12.863) 13.506 23.400 ( 8.098 -6.066 -0.341) 10.123 24.283 ( 6.995 4.537 -1.414) 8.457 24.853 ( -5.836 -4.468 10.241) 12.605 25.782 ( 3.368 10.391 -0.009) 10.923 26.425 ( -6.169 1.024 -5.018) 8.018 26.712 ( 5.328 -3.735 -5.542) 8.546 27.113 ( 4.000 0.715 -4.512) 6.072 27.116 ( 1.723 -1.370 -2.444) 3.289 27.550 ( 4.246 6.696 -5.735) 9.785 27.902 ( 1.817 -0.659 -5.718) 6.036 28.232 ( -2.146 -10.357 -2.667) 10.908 28.350 ( -0.409 -5.113 -13.397) 14.345 28.845 ( -5.975 -2.691 -5.756) 8.722 29.493 ( 3.840 4.689 6.668) 9.011 29.611 ( 5.882 13.127 -9.051) 16.996 30.110 ( -2.009 -12.796 -6.880) 14.667 30.440 ( -3.768 2.048 -2.825) 5.136 31.015 ( 8.032 2.756 4.835) 9.772 31.068 ( 6.202 -1.379 -0.181) 6.356 31.708 ( -0.591 -1.994 -6.547) 6.869 32.223 ( -5.008 2.430 8.387) 10.067 32.426 ( -4.816 -0.324 7.990) 9.335 45.913 ( -4.287 1.482 8.338) 9.492 45.968 ( -1.237 -2.462 9.032) 9.443 48.015 ( 0.084 0.977 -4.446) 4.553 48.167 ( 1.261 -0.014 -0.211) 1.279 48.288 ( 2.486 -1.421 -3.070) 4.198 48.667 ( -2.255 -0.451 -5.355) 5.828 48.885 ( -0.139 -0.546 -2.543) 2.605 49.547 ( 2.048 0.894 -0.863) 2.396 88.002 ( -0.084 -0.738 -1.147) 1.366 88.180 ( 3.212 1.375 -1.451) 3.783 88.948 ( -3.219 0.150 1.375) 3.503 88.995 ( -0.777 -0.924 1.252) 1.739 89.612 ( 0.052 3.287 -5.035) 6.013 90.714 ( -23.248 3.060 7.224) 24.536 91.531 ( 8.418 5.104 -3.243) 10.365 91.893 ( 0.678 -6.098 4.717) 7.739 97.503 ( -1.649 0.241 -0.092) 1.669 97.701 ( 0.771 0.954 1.108) 1.653 97.782 ( 1.493 -3.100 5.366) 6.374 98.087 ( -3.221 1.489 6.081) 7.041 99.308 ( -2.485 -3.927 -1.200) 4.799 99.580 ( 0.013 -4.185 -2.154) 4.707 99.968 ( -1.572 3.346 -2.483) 4.453 100.528 ( 8.990 6.819 -5.467) 12.538 ======================= Grid point 85 (43/118) ======================= q-point: (-0.50 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -14.364 14.034 8.647) 21.865 2.181 ( -10.241 12.242 1.277) 16.011 3.018 ( 18.003 1.385 20.775) 27.525 3.338 ( 5.069 -1.077 30.875) 31.307 3.776 ( -19.275 1.933 22.506) 29.694 4.151 ( -10.611 -17.274 8.704) 22.063 4.409 ( -5.053 12.463 1.631) 13.547 4.855 ( -0.621 3.082 2.581) 4.068 5.073 ( -6.671 0.064 17.843) 19.050 5.177 ( 1.015 5.021 -10.974) 12.111 5.396 ( -1.039 -8.137 -4.634) 9.421 5.582 ( -3.396 -1.528 1.064) 3.873 5.790 ( 1.368 -7.574 -4.848) 9.096 5.957 ( -3.343 4.264 6.796) 8.692 6.071 ( 3.463 2.298 -1.914) 4.575 6.236 ( 0.935 1.244 -0.743) 1.724 6.492 ( -1.416 -4.169 -7.084) 8.341 6.579 ( -3.916 4.674 0.127) 6.099 6.823 ( 4.020 -4.112 0.104) 5.752 6.851 ( -2.551 -1.429 -3.790) 4.787 6.952 ( 5.677 0.532 -7.737) 9.611 7.174 ( 2.678 -0.319 -0.253) 2.709 7.199 ( -6.110 -3.038 -10.469) 12.496 7.253 ( 16.877 -4.632 9.230) 19.786 7.495 ( 11.228 -2.227 -3.884) 12.088 7.626 ( -3.532 3.570 -5.468) 7.424 7.942 ( -7.706 -2.322 2.213) 8.347 8.010 ( 7.237 2.980 4.806) 9.184 8.298 ( 6.395 -3.642 1.107) 7.442 8.366 ( -0.601 2.438 3.582) 4.375 8.715 ( -2.153 3.475 -7.872) 8.870 8.842 ( -2.321 -2.018 4.388) 5.359 9.322 ( -1.338 -5.363 3.559) 6.574 9.408 ( -8.649 -0.953 -13.924) 16.419 9.496 ( 2.034 2.786 -8.388) 9.070 9.785 ( 5.231 0.598 8.143) 9.697 9.841 ( 5.065 1.521 3.340) 6.255 10.554 ( -12.279 -1.051 -6.758) 14.055 10.769 ( 1.265 -0.933 -9.387) 9.518 11.825 ( 7.272 -0.194 0.690) 7.308 12.140 ( -2.070 -0.419 1.159) 2.410 12.581 ( -1.736 1.528 -3.653) 4.324 12.698 ( -2.646 3.894 -10.520) 11.525 12.968 ( 3.715 -1.153 -0.505) 3.922 13.224 ( -1.175 -0.294 2.128) 2.448 13.392 ( -1.031 -4.513 -3.344) 5.711 13.708 ( 3.600 2.026 -2.715) 4.943 13.965 ( 1.317 1.574 -7.063) 7.355 14.162 ( 4.338 -3.277 -2.944) 6.183 15.576 ( 6.913 -1.515 5.669) 9.068 16.300 ( 0.898 -0.574 -1.011) 1.469 16.594 ( 0.160 -1.531 7.084) 7.250 16.662 ( -10.044 0.561 4.886) 11.183 17.038 ( 0.719 8.641 5.745) 10.402 17.389 ( 1.117 -1.852 6.157) 6.526 18.896 ( -30.654 -4.463 -2.047) 31.045 20.117 ( 22.573 10.824 -3.768) 25.316 20.937 ( -0.195 -5.476 -5.913) 8.061 21.186 ( 0.271 7.056 -3.030) 7.684 21.448 ( 2.874 0.333 -1.346) 3.191 21.723 ( -3.562 -9.823 -3.779) 11.111 21.933 ( 1.631 3.216 -8.253) 9.007 22.240 ( -2.987 -2.891 18.235) 18.703 22.743 ( 5.612 2.460 -12.142) 13.601 23.183 ( 1.186 6.023 10.647) 12.289 23.607 ( 7.856 -5.323 -0.836) 9.527 24.273 ( 6.802 12.733 -9.041) 17.033 24.860 ( -6.795 -5.678 8.857) 12.524 25.653 ( 0.064 13.756 2.655) 14.010 26.328 ( -2.915 -1.963 -6.771) 7.629 26.822 ( 5.248 -3.246 -2.972) 6.849 27.103 ( 2.576 3.062 -10.695) 11.419 27.152 ( -1.580 -1.838 1.245) 2.725 27.454 ( 2.140 9.400 -8.280) 12.708 27.915 ( 2.633 -0.854 -4.543) 5.320 28.267 ( -5.692 -10.191 -10.273) 15.550 28.453 ( 2.496 -11.342 -4.010) 12.286 28.727 ( -7.728 -2.302 -2.510) 8.445 29.377 ( 3.517 19.930 -7.636) 21.631 29.658 ( 6.991 -3.337 2.870) 8.261 30.237 ( -0.637 -11.789 -4.339) 12.579 30.333 ( -3.829 1.656 -2.475) 4.851 31.089 ( -0.035 0.474 11.621) 11.631 31.235 ( 15.374 3.646 -10.217) 18.816 31.679 ( -0.483 -1.533 -8.035) 8.194 32.186 ( -1.995 2.146 15.978) 16.244 32.406 ( -2.625 -1.375 3.285) 4.424 45.865 ( -3.747 1.289 8.778) 9.631 46.029 ( -1.589 -3.690 8.751) 9.629 47.988 ( 0.557 0.673 -4.128) 4.219 48.177 ( 0.522 0.315 -0.809) 1.013 48.336 ( 3.099 -0.243 -3.003) 4.322 48.611 ( -3.362 -1.961 -4.711) 6.111 48.889 ( 0.504 -1.336 -2.132) 2.565 49.552 ( 1.216 1.857 -1.145) 2.497 88.007 ( 0.042 -1.048 -1.609) 1.921 88.188 ( 1.951 2.946 -2.816) 4.518 88.939 ( -0.881 -2.229 3.697) 4.406 89.008 ( 0.883 -0.099 3.643) 3.750 89.581 ( 4.078 3.613 0.278) 5.455 90.344 ( -17.752 4.266 2.042) 18.371 91.574 ( 8.698 9.397 -3.049) 13.162 92.006 ( -6.258 -13.671 10.014) 18.065 97.482 ( -0.860 -0.493 -0.181) 1.007 97.704 ( 0.728 1.752 2.337) 3.010 97.872 ( 0.659 -3.130 4.141) 5.232 98.058 ( -2.252 -0.313 6.934) 7.297 99.330 ( -1.950 -6.174 -0.171) 6.477 99.640 ( 0.658 -5.633 -2.222) 6.091 99.851 ( -3.183 6.264 -3.145) 7.698 100.524 ( 9.935 12.437 -10.627) 19.140 ======================= Grid point 86 (44/118) ======================= q-point: (-0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 1.682 17.953 28.634) 33.838 1.892 ( -4.645 16.561 15.870) 23.403 3.227 ( -19.587 13.126 49.316) 54.663 3.301 ( 8.736 14.597 14.402) 22.290 3.799 ( -4.157 -12.676 2.602) 13.591 4.240 ( 14.014 -4.462 11.884) 18.909 4.500 ( 1.695 -16.805 6.005) 17.926 4.844 ( -1.973 0.930 3.718) 4.310 4.962 ( -4.681 -0.174 6.785) 8.244 5.188 ( 2.661 -0.473 -1.491) 3.087 5.469 ( 2.028 0.791 -2.610) 3.398 5.527 ( -6.538 -7.226 -4.496) 10.732 5.813 ( -8.074 5.488 2.791) 10.154 5.887 ( 2.158 -3.767 -1.421) 4.568 6.075 ( 2.793 2.303 -5.237) 6.366 6.215 ( -3.284 7.567 0.969) 8.305 6.404 ( -1.872 -5.585 -1.690) 6.128 6.527 ( -2.418 0.952 -8.210) 8.611 6.752 ( -2.075 -0.554 -4.483) 4.971 6.851 ( -5.569 -0.836 -0.324) 5.641 7.034 ( -1.429 -5.316 -9.646) 11.106 7.112 ( 0.943 -3.720 -4.826) 6.165 7.205 ( 2.100 3.885 -1.674) 4.723 7.453 ( -4.162 2.846 -11.594) 12.643 7.635 ( 6.404 -0.308 10.512) 12.313 7.666 ( 17.012 -0.548 -7.989) 18.802 7.835 ( -10.543 -3.535 7.157) 13.223 8.126 ( 4.677 -1.649 -3.070) 5.833 8.313 ( -3.397 1.858 4.206) 5.717 8.479 ( 10.254 1.480 6.568) 12.267 8.588 ( -3.331 2.100 -6.472) 7.576 8.873 ( 0.766 -1.514 3.886) 4.240 9.134 ( -10.889 0.557 -12.929) 16.913 9.332 ( -8.687 -3.223 -8.298) 12.438 9.546 ( 0.925 -8.367 -0.766) 8.453 9.886 ( 6.865 2.114 5.099) 8.809 9.930 ( 5.069 2.781 3.570) 6.795 10.466 ( 3.801 0.828 -3.061) 4.950 10.713 ( -4.555 -1.778 -3.137) 5.810 11.890 ( 1.117 2.104 -2.854) 3.718 12.142 ( -0.025 -1.517 1.901) 2.432 12.465 ( -1.619 4.404 -7.338) 8.710 12.664 ( 3.964 -1.652 -1.784) 4.650 13.023 ( 1.786 -0.097 -4.602) 4.937 13.255 ( 0.193 -3.285 4.879) 5.885 13.484 ( 5.276 -3.579 2.336) 6.790 13.723 ( 3.726 1.257 -7.503) 8.471 13.914 ( -2.138 -0.555 -4.960) 5.430 14.219 ( 0.354 -2.019 -4.713) 5.139 15.722 ( 4.136 -1.096 3.331) 5.423 16.334 ( 2.866 -0.333 -0.130) 2.888 16.517 ( -8.712 0.764 6.770) 11.059 16.646 ( 0.376 -1.124 5.741) 5.862 16.982 ( 1.007 5.311 5.905) 8.006 17.408 ( -2.863 0.404 -1.472) 3.244 18.524 ( -17.294 -3.277 2.974) 17.851 20.334 ( 19.546 8.245 -0.843) 21.231 20.902 ( -3.946 3.658 -1.001) 5.473 21.118 ( -0.631 -1.210 -7.218) 7.346 21.473 ( 0.679 -0.574 -2.483) 2.637 21.746 ( -4.551 -5.848 -4.976) 8.926 21.886 ( 5.467 4.453 -9.561) 11.880 22.368 ( 0.385 -6.248 20.027) 20.982 22.725 ( 0.799 0.973 -9.190) 9.276 23.138 ( -0.850 8.444 8.442) 11.970 23.768 ( 5.875 -0.236 -2.302) 6.314 24.054 ( 0.246 20.159 -16.694) 26.175 24.876 ( -3.704 -5.280 9.941) 11.850 25.473 ( -2.169 13.200 4.121) 13.997 26.322 ( 1.280 -4.435 -7.244) 8.590 26.949 ( 5.942 -2.700 -2.218) 6.893 27.035 ( 1.539 2.864 -10.871) 11.347 27.099 ( -5.187 0.637 0.527) 5.252 27.356 ( 2.191 6.191 -7.725) 10.140 27.965 ( 3.395 -0.525 -5.076) 6.129 28.238 ( -5.396 -6.900 -5.266) 10.220 28.567 ( 2.952 1.355 -0.134) 3.251 28.724 ( -0.944 -12.025 -3.777) 12.639 29.126 ( 1.782 18.022 -9.752) 20.569 29.818 ( 4.307 -4.373 -3.544) 7.088 30.265 ( -1.445 -0.691 -2.358) 2.850 30.349 ( -1.550 -9.867 0.961) 10.034 31.082 ( -4.219 1.793 3.247) 5.617 31.303 ( 5.593 6.547 -10.307) 13.430 31.740 ( 7.532 -3.065 -4.906) 9.497 32.252 ( 0.958 -1.353 19.393) 19.464 32.395 ( -1.632 -1.212 0.469) 2.087 45.842 ( -2.169 1.153 9.388) 9.704 46.080 ( -3.496 -4.380 7.772) 9.582 47.981 ( 1.218 0.022 -3.662) 3.859 48.173 ( 0.052 0.216 -1.223) 1.243 48.350 ( 2.194 2.947 -3.841) 5.315 48.579 ( -1.778 -3.344 -2.936) 4.792 48.910 ( 0.752 -1.459 -2.094) 2.660 49.533 ( 0.289 2.016 -1.123) 2.325 88.017 ( 0.523 -1.124 -1.875) 2.248 88.141 ( 0.032 4.114 -3.546) 5.432 88.966 ( -1.274 -1.910 1.566) 2.779 89.108 ( 3.891 -4.170 7.084) 9.095 89.714 ( 14.084 0.641 9.839) 17.192 90.058 ( -8.659 2.170 -5.452) 10.460 91.539 ( 5.384 12.202 -1.727) 13.448 92.113 ( -13.404 -18.246 14.486) 26.878 97.484 ( -0.152 -1.039 0.087) 1.054 97.703 ( 0.441 1.833 2.909) 3.466 97.887 ( -1.746 1.353 1.839) 2.874 98.103 ( -2.332 -6.179 7.754) 10.186 99.414 ( 1.173 -7.372 2.010) 7.730 99.658 ( -0.741 8.944 -1.533) 9.105 99.755 ( -0.451 -6.963 -3.955) 8.021 100.443 ( 9.433 15.572 -15.506) 23.915 ======================= Grid point 87 (45/118) ======================= q-point: (-0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -0.154 10.967 30.610) 32.515 1.917 ( 6.900 13.041 36.091) 38.991 3.062 ( -13.380 14.360 11.092) 22.544 3.126 ( 4.070 13.014 57.664) 59.254 4.025 ( 5.287 -9.168 3.599) 11.179 4.572 ( -1.038 -9.044 8.600) 12.524 4.772 ( 1.101 -11.274 8.930) 14.424 4.829 ( 1.799 -3.867 8.953) 9.917 5.056 ( 8.983 -4.780 1.319) 10.261 5.252 ( 4.923 0.283 -1.016) 5.034 5.381 ( -7.352 -1.517 -2.557) 7.931 5.544 ( -0.048 -3.659 -5.655) 6.735 5.624 ( -6.982 1.762 0.398) 7.212 5.924 ( -1.363 2.260 1.752) 3.168 6.030 ( -5.466 9.830 3.332) 11.730 6.071 ( 5.872 0.987 -10.281) 11.881 6.343 ( -4.218 2.638 -13.067) 13.982 6.541 ( 3.853 -3.037 -2.546) 5.527 6.707 ( -6.056 -3.695 -2.334) 7.469 6.763 ( -3.585 -3.336 -3.320) 5.916 6.935 ( -9.264 -0.044 -2.964) 9.727 7.046 ( -4.194 7.933 -8.080) 12.075 7.238 ( 9.545 -1.252 -6.434) 11.579 7.417 ( 2.429 -2.148 -4.893) 5.870 7.604 ( -5.650 2.121 -7.083) 9.306 7.726 ( -9.451 -2.633 5.209) 11.108 7.958 ( 11.460 -1.196 2.656) 11.824 8.147 ( 0.548 0.937 -5.325) 5.434 8.251 ( -3.202 1.526 2.967) 4.625 8.502 ( -3.165 -2.549 -0.662) 4.117 8.709 ( 13.399 1.033 8.636) 15.975 8.888 ( -7.796 0.242 -1.203) 7.892 8.938 ( 2.766 2.745 -6.316) 7.421 9.146 ( -9.705 -1.726 -11.276) 14.977 9.626 ( -3.217 -7.076 -2.283) 8.101 9.946 ( 3.259 2.475 2.347) 4.718 10.073 ( 10.818 0.790 5.267) 12.058 10.419 ( -7.220 0.289 -7.151) 10.166 10.801 ( 10.540 -2.675 5.053) 11.991 11.783 ( -5.556 3.901 -3.826) 7.793 12.182 ( 0.745 -2.337 0.982) 2.642 12.441 ( 4.955 1.323 -1.815) 5.440 12.779 ( 5.672 -2.213 -1.538) 6.280 12.989 ( 0.407 1.386 -10.356) 10.456 13.349 ( 0.818 -5.735 5.897) 8.266 13.590 ( 2.479 1.753 0.407) 3.063 13.732 ( 2.706 -0.866 -10.854) 11.219 13.913 ( -2.828 -7.267 -1.547) 7.950 14.180 ( -4.013 -0.493 -6.484) 7.642 15.730 ( -4.561 -0.350 -1.194) 4.728 16.379 ( 2.174 2.087 -0.799) 3.118 16.437 ( -4.342 0.312 10.248) 11.135 16.703 ( 1.800 -2.441 5.378) 6.175 16.990 ( 0.458 1.581 5.336) 5.584 17.281 ( -6.464 1.719 1.536) 6.863 18.547 ( 12.632 -5.178 4.436) 14.354 20.522 ( 11.047 5.008 -1.036) 12.173 20.729 ( -7.275 6.323 3.504) 10.256 21.116 ( 0.126 -3.567 -6.539) 7.449 21.463 ( -1.080 -1.163 -4.094) 4.391 21.707 ( -0.928 -2.239 -7.131) 7.531 21.901 ( 6.191 4.665 -7.720) 10.940 22.554 ( -0.498 -7.069 14.060) 15.745 22.677 ( -0.724 1.210 -3.567) 3.836 22.999 ( -5.667 10.264 5.776) 13.070 23.492 ( -4.925 24.029 -15.804) 29.179 23.972 ( 4.036 -1.623 3.441) 5.546 24.949 ( -0.654 -0.276 10.359) 10.383 25.359 ( 3.964 4.485 4.470) 7.471 26.403 ( 4.812 -4.318 -7.688) 10.045 26.956 ( 1.838 2.057 -7.869) 8.339 26.986 ( -6.801 -1.448 0.194) 6.956 27.127 ( 6.321 0.746 -0.017) 6.365 27.273 ( 2.126 2.625 -10.305) 10.845 27.959 ( 0.740 1.862 -6.415) 6.721 28.256 ( 1.310 -3.958 -3.379) 5.367 28.595 ( 3.167 6.004 1.091) 6.876 28.720 ( 0.839 10.747 -4.891) 11.837 29.066 ( 5.875 -9.518 -6.101) 12.741 29.837 ( -1.176 -0.122 -11.748) 11.808 30.283 ( 1.678 -3.109 -0.990) 3.669 30.454 ( -2.947 -8.851 2.734) 9.721 30.942 ( -7.176 2.795 -3.395) 8.416 31.211 ( 0.615 8.136 -7.192) 10.877 31.828 ( 1.018 -0.028 -3.092) 3.255 32.354 ( -3.164 -3.116 2.544) 5.118 32.462 ( 3.119 -5.521 12.249) 13.793 45.847 ( -0.852 1.161 9.647) 9.754 46.085 ( -5.890 -3.185 7.016) 9.699 47.993 ( 1.722 -0.595 -3.157) 3.645 48.163 ( -0.220 0.184 -1.397) 1.426 48.306 ( 0.573 3.517 -4.119) 5.447 48.621 ( 3.220 -2.569 -1.819) 4.503 48.924 ( 0.366 -0.659 -2.467) 2.580 49.506 ( -0.246 1.267 -0.784) 1.510 88.031 ( 0.752 0.248 -1.698) 1.874 88.079 ( 0.298 2.103 -2.140) 3.015 88.972 ( -0.827 -0.978 1.307) 1.830 89.205 ( -2.544 -3.995 1.342) 4.923 89.791 ( -5.823 -0.101 -2.287) 6.257 90.369 ( 36.845 -12.269 -0.459) 38.837 91.435 ( 0.796 11.111 1.031) 11.187 92.120 ( -22.728 -16.535 17.118) 32.909 97.503 ( 0.247 -1.434 0.664) 1.600 97.700 ( 0.115 1.422 3.247) 3.546 97.819 ( -2.956 3.262 0.448) 4.425 98.168 ( -4.956 -7.200 6.455) 10.866 99.496 ( -1.190 7.654 -1.422) 7.875 99.558 ( 2.620 -3.463 1.442) 4.575 99.863 ( 3.279 -6.521 -3.260) 7.994 100.323 ( 7.457 11.732 -13.857) 19.628 ======================= Grid point 90 (46/118) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -9.256 0.000 3.921) 10.052 2.310 ( 1.499 -0.000 -2.814) 3.189 2.999 ( 14.636 -0.000 21.190) 25.754 3.359 ( 2.499 -0.000 32.342) 32.439 3.811 ( -19.769 0.000 28.023) 34.295 3.818 ( -10.108 0.000 1.402) 10.205 4.785 ( -5.759 0.000 7.669) 9.591 4.920 ( 2.480 -0.000 9.361) 9.684 5.064 ( -10.077 0.000 -4.547) 11.055 5.085 ( -3.846 0.000 10.834) 11.497 5.330 ( -10.078 0.000 -11.592) 15.360 5.539 ( 1.653 -0.000 2.837) 3.284 5.669 ( 2.189 -0.000 -8.658) 8.931 5.996 ( 1.644 -0.000 0.407) 1.694 6.163 ( 3.973 -0.000 5.276) 6.605 6.281 ( -3.567 0.000 -2.986) 4.652 6.387 ( 5.197 -0.000 -6.937) 8.668 6.699 ( -2.139 0.000 -4.211) 4.723 6.719 ( -3.586 0.000 -1.760) 3.995 6.816 ( 1.112 -0.000 1.840) 2.150 6.974 ( 2.275 -0.000 -5.238) 5.711 7.140 ( -1.941 0.000 1.046) 2.205 7.174 ( 10.654 -0.000 2.864) 11.033 7.191 ( 3.929 -0.000 -2.022) 4.419 7.421 ( 15.220 -0.000 -9.259) 17.815 7.696 ( -2.298 0.000 -0.874) 2.459 7.920 ( -9.270 0.000 1.446) 9.383 8.082 ( 0.926 -0.000 -1.778) 2.005 8.199 ( 12.302 -0.000 7.829) 14.582 8.406 ( -0.897 0.000 2.763) 2.905 8.761 ( -1.203 0.000 -7.548) 7.643 8.824 ( -3.015 0.000 6.666) 7.316 9.225 ( 0.454 -0.000 6.029) 6.046 9.408 ( -11.236 0.000 -17.433) 20.740 9.567 ( -1.063 0.000 -12.517) 12.562 9.784 ( 8.078 -0.000 11.329) 13.914 9.859 ( 4.503 -0.000 1.733) 4.825 10.543 ( -11.428 0.000 -5.455) 12.663 10.756 ( 1.488 -0.000 -10.344) 10.451 11.820 ( 8.282 -0.000 1.864) 8.489 12.148 ( -0.299 0.000 -1.184) 1.222 12.598 ( -2.756 0.000 -2.102) 3.466 12.758 ( -1.419 0.000 -7.688) 7.817 12.944 ( 1.710 -0.000 -9.404) 9.558 13.218 ( -1.801 0.000 2.403) 3.003 13.323 ( -1.836 0.000 -0.565) 1.921 13.743 ( 3.544 -0.000 -1.231) 3.751 14.018 ( 2.754 -0.000 -9.570) 9.958 14.086 ( 4.503 -0.000 -1.558) 4.765 15.555 ( 6.929 -0.000 5.402) 8.786 16.294 ( 1.413 -0.000 -0.628) 1.546 16.570 ( 0.634 -0.000 6.268) 6.300 16.669 ( -10.533 0.000 5.902) 12.074 17.248 ( -6.215 0.000 9.940) 11.723 17.266 ( 5.162 -0.000 2.279) 5.642 18.836 ( -29.618 0.000 -0.725) 29.627 20.300 ( 21.776 -0.000 -6.212) 22.645 20.812 ( 1.160 -0.000 -6.095) 6.204 21.422 ( -2.502 0.000 -5.886) 6.396 21.441 ( 7.911 -0.000 1.734) 8.099 21.476 ( -6.996 0.000 -1.623) 7.182 21.980 ( 1.383 -0.000 -4.933) 5.124 22.204 ( -2.527 0.000 19.383) 19.547 22.786 ( 5.043 -0.000 -17.746) 18.448 23.264 ( 1.581 -0.000 9.906) 10.032 23.523 ( 10.185 -0.000 1.186) 10.254 24.433 ( 9.148 -0.000 -9.292) 13.040 24.769 ( -6.684 0.000 11.404) 13.218 25.895 ( 1.449 -0.000 -0.428) 1.511 26.309 ( -4.840 0.000 -5.256) 7.145 26.732 ( 4.246 -0.000 -8.129) 9.171 27.145 ( 3.464 -0.000 -8.585) 9.258 27.152 ( 0.557 -0.000 4.155) 4.192 27.617 ( 1.664 -0.000 -7.880) 8.053 27.900 ( 1.915 -0.000 -6.719) 6.987 28.127 ( -7.854 0.000 -12.061) 14.392 28.200 ( 3.017 -0.000 3.087) 4.317 28.726 ( -4.127 0.000 -2.696) 4.930 29.618 ( 5.368 -0.000 2.562) 5.948 29.834 ( 5.642 -0.000 -9.340) 10.912 29.885 ( -3.718 0.000 -1.910) 4.180 30.358 ( -5.028 0.000 -3.317) 6.024 31.095 ( 0.118 -0.000 11.774) 11.775 31.285 ( 16.810 -0.000 -12.697) 21.067 31.652 ( -0.503 0.000 -7.715) 7.731 32.220 ( -3.279 0.000 14.234) 14.607 32.388 ( -2.770 0.000 4.177) 5.012 45.888 ( -4.050 0.000 8.559) 9.469 45.973 ( -1.554 0.000 9.293) 9.422 47.996 ( -0.227 0.000 -4.640) 4.646 48.193 ( 1.360 -0.000 -0.359) 1.407 48.317 ( 3.768 -0.000 -2.316) 4.423 48.592 ( -3.281 0.000 -4.819) 5.830 48.868 ( 0.084 -0.000 -2.121) 2.123 49.578 ( 1.396 -0.000 -1.463) 2.022 87.992 ( 0.037 -0.000 -1.286) 1.286 88.226 ( 1.899 -0.000 -2.320) 2.997 88.909 ( -1.498 0.000 2.649) 3.043 89.007 ( 0.890 -0.000 3.276) 3.395 89.632 ( 2.490 -0.000 -3.385) 4.202 90.393 ( -20.893 0.000 6.017) 21.742 91.702 ( 9.678 -0.000 1.365) 9.774 91.850 ( -3.518 0.000 1.765) 3.936 97.470 ( -1.693 0.000 -0.607) 1.798 97.756 ( 3.051 -0.000 1.375) 3.347 97.800 ( 0.216 -0.000 6.457) 6.461 98.071 ( -3.062 0.000 5.733) 6.500 99.239 ( -2.080 0.000 -0.448) 2.128 99.541 ( 0.014 -0.000 -1.877) 1.877 99.949 ( -2.318 0.000 -2.425) 3.355 100.683 ( 7.920 -0.000 -9.737) 12.552 ======================= Grid point 91 (47/118) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.821 12.044 18.447) 22.359 2.264 ( 0.418 8.850 2.187) 9.126 3.356 ( 7.078 -4.155 19.974) 21.594 3.403 ( -8.507 -0.449 40.058) 40.954 3.629 ( -14.433 -2.033 4.262) 15.186 4.006 ( 16.132 -8.630 13.679) 22.844 4.557 ( -3.602 16.948 3.958) 17.773 4.860 ( -5.481 -0.492 4.405) 7.049 4.980 ( -11.572 -0.284 8.295) 14.241 5.169 ( 0.331 -9.261 -1.904) 9.461 5.222 ( 1.544 -3.077 -1.405) 3.719 5.514 ( -5.602 0.300 0.562) 5.638 5.759 ( 8.121 -3.560 -5.995) 10.704 6.014 ( 0.503 5.705 0.076) 5.728 6.167 ( -0.574 4.951 -0.263) 4.991 6.223 ( 0.037 -2.746 -1.055) 2.942 6.426 ( -1.631 0.554 -7.511) 7.706 6.528 ( -4.932 1.466 -4.182) 6.630 6.668 ( -4.659 -4.874 -3.565) 7.627 6.849 ( 0.182 0.182 0.432) 0.503 6.911 ( -13.006 -2.262 -7.047) 14.964 7.044 ( 8.743 -1.305 -4.139) 9.761 7.260 ( 5.942 1.118 -1.539) 6.239 7.534 ( 4.836 -1.469 6.142) 7.954 7.597 ( 1.039 1.706 -1.099) 2.280 7.654 ( 15.139 -1.096 -11.528) 19.060 7.758 ( -11.878 -1.643 5.851) 13.342 8.066 ( -2.184 -1.757 -3.835) 4.750 8.349 ( -2.173 0.612 3.343) 4.033 8.488 ( 10.751 0.195 10.369) 14.938 8.654 ( -4.974 1.930 -6.183) 8.167 8.857 ( 2.996 -0.023 7.280) 7.872 9.134 ( -11.236 -0.492 -16.521) 19.986 9.260 ( -4.683 -2.500 0.438) 5.327 9.440 ( -2.032 -0.242 -9.971) 10.179 9.942 ( 7.335 1.964 6.453) 9.965 9.978 ( 6.900 0.506 3.444) 7.729 10.479 ( 4.697 0.151 -3.021) 5.586 10.680 ( -4.959 -0.660 -5.174) 7.197 11.925 ( 3.030 0.656 -0.907) 3.230 12.159 ( 3.158 1.518 -1.016) 3.648 12.557 ( -0.780 1.410 -4.664) 4.935 12.648 ( -2.288 0.882 -6.425) 6.877 12.952 ( 1.061 -3.321 -7.324) 8.111 13.219 ( -0.243 -0.187 4.184) 4.196 13.392 ( 5.893 -2.505 4.276) 7.700 13.763 ( 1.512 1.124 -5.739) 6.040 13.970 ( 0.227 3.441 -8.621) 9.285 14.146 ( 0.960 -3.162 -4.110) 5.274 15.699 ( 5.359 -0.565 4.147) 6.800 16.330 ( 2.996 -0.039 -0.069) 2.998 16.526 ( -8.685 0.027 5.844) 10.468 16.623 ( 1.030 -0.586 7.990) 8.077 17.132 ( -4.857 5.564 6.880) 10.094 17.339 ( -3.583 -4.231 -1.666) 5.789 18.451 ( -16.474 -1.807 2.414) 16.747 20.553 ( 17.558 7.348 -3.325) 19.321 20.843 ( 1.448 -4.738 -6.862) 8.464 21.252 ( -4.084 7.654 -2.003) 8.904 21.417 ( -4.978 -4.435 -3.947) 7.748 21.606 ( 5.517 -2.958 1.883) 6.537 21.964 ( 1.540 1.195 -6.437) 6.726 22.269 ( -2.147 -1.755 21.514) 21.692 22.743 ( -0.079 0.395 -15.514) 15.520 23.300 ( 0.869 3.707 6.266) 7.333 23.710 ( 8.998 -1.948 1.855) 9.392 24.434 ( 2.491 7.594 -20.241) 21.762 24.737 ( -5.824 -3.771 11.596) 13.513 25.830 ( -0.184 10.722 0.674) 10.745 26.242 ( -0.587 -1.475 -5.287) 5.520 26.788 ( 2.330 -5.912 -7.929) 10.161 27.115 ( -1.636 2.984 -2.467) 4.203 27.150 ( -0.497 1.153 -3.771) 3.974 27.547 ( 1.901 6.022 -8.747) 10.789 27.925 ( 2.784 -2.759 -6.415) 7.518 28.049 ( -1.508 -4.932 -2.269) 5.635 28.344 ( 3.494 -8.784 3.128) 9.958 28.670 ( -0.282 1.429 -0.565) 1.563 29.570 ( -0.743 11.839 -16.115) 20.011 29.753 ( 4.990 2.636 1.953) 5.972 30.040 ( -1.513 -12.555 1.864) 12.782 30.276 ( -2.443 -0.198 -2.337) 3.387 31.117 ( -2.930 0.781 5.474) 6.258 31.431 ( 9.784 3.132 -16.477) 19.417 31.654 ( 3.396 -2.682 -3.040) 5.288 32.243 ( -3.127 0.162 17.248) 17.530 32.375 ( -0.453 -0.370 1.472) 1.584 45.871 ( -2.173 0.919 9.569) 9.856 45.993 ( -2.878 -2.062 8.690) 9.384 47.975 ( 0.185 -0.263 -4.442) 4.453 48.200 ( 0.880 1.281 -0.685) 1.699 48.388 ( 5.138 -0.249 -2.465) 5.704 48.520 ( -3.090 -0.653 -3.367) 4.617 48.872 ( 0.607 -1.066 -1.717) 2.110 49.577 ( 0.303 1.064 -2.030) 2.312 87.991 ( 0.251 -0.627 -1.493) 1.638 88.215 ( -0.309 1.469 -3.584) 3.886 88.927 ( 0.647 -0.724 3.613) 3.741 89.053 ( 1.833 -0.804 5.033) 5.417 89.699 ( 7.191 -1.117 0.739) 7.315 90.090 ( -16.772 0.773 1.760) 16.881 91.761 ( -2.942 1.532 -6.109) 6.952 91.887 ( 6.080 0.535 13.529) 14.842 97.450 ( -1.002 -1.000 -0.811) 1.632 97.779 ( 1.528 3.408 4.110) 5.554 97.860 ( 0.515 -2.759 4.132) 4.995 98.044 ( -3.019 0.216 5.918) 6.647 99.247 ( 0.130 -4.180 0.743) 4.247 99.565 ( 0.361 -4.546 -1.960) 4.964 99.866 ( -2.697 4.394 -3.025) 5.978 100.696 ( 4.148 4.650 -14.507) 15.789 ======================= Grid point 92 (48/118) ======================= q-point: (-0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.076 13.882 8.878) 16.478 2.302 ( 6.031 15.727 30.181) 34.563 3.309 ( -26.438 -2.497 7.173) 27.508 3.396 ( 0.403 6.378 45.995) 46.437 3.822 ( 19.352 -3.369 10.876) 22.453 4.405 ( 1.597 -5.561 10.787) 12.241 4.418 ( -1.149 -4.882 4.324) 6.622 4.799 ( -1.033 -1.394 7.207) 7.413 4.976 ( 4.837 -2.390 6.310) 8.302 5.212 ( 3.148 -0.733 -7.152) 7.848 5.285 ( -7.991 -6.311 1.089) 10.241 5.451 ( -0.795 -2.670 -0.715) 2.876 5.775 ( -5.627 8.067 0.386) 9.843 5.949 ( 5.991 1.060 -0.810) 6.137 6.119 ( -0.129 2.765 -3.138) 4.185 6.286 ( -0.195 7.537 -2.589) 7.971 6.333 ( 3.671 -7.272 -2.733) 8.592 6.452 ( -5.619 2.226 -7.765) 9.840 6.625 ( -11.477 -4.156 -6.452) 13.806 6.659 ( -4.602 -3.583 -0.820) 5.890 6.907 ( 2.713 -1.262 -3.134) 4.333 7.208 ( 8.429 -1.511 -2.719) 8.985 7.293 ( -2.493 9.075 -6.829) 11.628 7.367 ( 0.264 -0.860 -7.602) 7.655 7.638 ( -7.138 -1.355 5.100) 8.877 7.657 ( -6.327 -1.160 1.201) 6.543 7.895 ( 11.200 -2.594 -1.515) 11.596 8.086 ( 1.416 -6.287 -4.542) 7.885 8.279 ( -4.910 1.335 2.865) 5.839 8.491 ( -5.765 2.010 -2.026) 6.432 8.737 ( 10.778 0.229 8.989) 14.036 8.890 ( -7.306 -0.263 -4.699) 8.691 8.986 ( 5.513 0.421 -2.092) 5.911 9.124 ( -5.967 0.093 -9.409) 11.142 9.465 ( 0.156 -3.812 -0.520) 3.851 10.026 ( 3.333 3.129 1.324) 4.759 10.107 ( 8.530 1.601 4.414) 9.736 10.416 ( -8.355 -0.412 -9.010) 12.294 10.759 ( 11.990 -0.769 4.090) 12.692 11.873 ( -4.759 2.731 -2.410) 5.993 12.191 ( 3.507 2.616 0.246) 4.383 12.486 ( 1.979 2.114 -5.714) 6.406 12.699 ( 4.648 -3.633 -0.251) 5.905 12.963 ( -1.132 -3.208 -8.937) 9.562 13.260 ( 1.660 -1.198 5.717) 6.072 13.570 ( 7.510 -2.575 3.717) 8.766 13.711 ( -3.212 -0.278 -8.636) 9.218 13.891 ( 1.725 3.916 -7.403) 8.550 14.145 ( -2.587 -2.196 -5.920) 6.824 15.731 ( -3.495 0.214 0.084) 3.503 16.390 ( 3.419 -0.141 1.374) 3.688 16.460 ( -2.790 0.553 8.850) 9.296 16.683 ( 1.072 0.374 6.765) 6.860 17.038 ( -3.577 2.124 5.886) 7.208 17.234 ( -11.426 -3.996 -2.760) 12.415 18.416 ( 5.793 -4.388 4.015) 8.302 20.682 ( 9.372 6.680 -2.637) 11.807 20.843 ( -3.708 0.384 -3.240) 4.939 21.114 ( -0.379 4.622 -1.897) 5.010 21.381 ( -3.534 -4.558 -4.761) 7.479 21.686 ( 2.291 1.185 -1.459) 2.963 21.978 ( 5.485 0.312 -6.126) 8.229 22.390 ( -0.586 -5.121 20.338) 20.981 22.654 ( -3.155 -1.308 -9.480) 10.076 23.239 ( -2.883 7.543 2.751) 8.531 23.861 ( 5.407 -0.506 0.576) 5.461 24.106 ( -9.280 14.762 -22.281) 28.293 24.809 ( -0.789 -7.774 10.278) 12.911 25.654 ( -1.013 14.591 1.801) 14.736 26.292 ( 4.797 -3.273 -3.427) 6.743 26.860 ( -2.411 -7.408 -5.994) 9.829 27.036 ( -0.086 1.817 -3.758) 4.175 27.095 ( 0.219 1.330 -5.022) 5.199 27.474 ( 3.570 8.530 -6.976) 11.583 27.970 ( 2.014 -1.788 -7.161) 7.650 28.127 ( 3.261 -5.065 -1.762) 6.277 28.554 ( 3.847 -12.517 2.274) 13.291 28.692 ( 5.412 2.488 2.972) 6.657 29.302 ( -1.239 15.403 -13.922) 20.799 29.789 ( -0.116 -2.564 -10.341) 10.655 30.142 ( -1.888 -6.495 3.129) 7.453 30.300 ( 2.478 -3.755 2.902) 5.353 31.019 ( -6.458 2.630 -2.197) 7.312 31.390 ( 1.499 5.415 -13.711) 14.818 31.775 ( 4.371 -3.881 -0.713) 5.889 32.251 ( -6.001 -2.542 12.237) 13.864 32.407 ( 1.704 -0.323 5.556) 5.820 45.881 ( -0.501 1.365 10.085) 10.189 46.005 ( -4.114 -2.708 8.056) 9.442 47.970 ( 0.662 -0.958 -4.137) 4.298 48.189 ( 0.690 1.627 -0.691) 1.897 48.397 ( 0.175 3.062 -5.129) 5.976 48.543 ( 3.910 -3.071 -0.158) 4.975 48.894 ( 0.791 -1.407 -1.752) 2.382 49.546 ( -0.575 1.564 -2.214) 2.771 88.005 ( 0.766 -1.303 -1.571) 2.180 88.155 ( -1.356 2.508 -3.581) 4.578 88.957 ( 0.641 0.268 2.366) 2.467 89.119 ( 0.070 -2.284 4.101) 4.695 89.816 ( -10.407 1.446 2.130) 10.720 90.000 ( 14.038 -13.161 0.311) 19.245 91.626 ( -8.781 1.532 -0.474) 8.926 92.014 ( 6.291 6.563 13.010) 15.871 97.454 ( -0.425 -1.897 -0.749) 2.084 97.771 ( 0.079 3.081 4.986) 5.862 97.885 ( -0.578 1.639 1.816) 2.513 98.036 ( -2.967 -2.489 6.990) 7.991 99.363 ( 3.376 -7.890 2.232) 8.868 99.651 ( 1.159 -7.899 -2.254) 8.296 99.730 ( -2.096 7.148 -3.114) 8.074 100.576 ( -0.559 6.712 -17.553) 18.800 ======================= Grid point 93 (49/118) ======================= q-point: (-0.17 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 6.512 9.596 20.644) 23.678 2.272 ( -1.052 14.019 31.881) 34.843 2.888 ( -25.495 3.082 8.835) 27.158 3.590 ( -2.484 -0.789 26.516) 26.644 4.119 ( 10.881 5.140 14.391) 18.760 4.389 ( -4.152 -7.366 11.855) 14.561 4.680 ( 3.984 -14.988 9.290) 18.078 4.825 ( -4.138 0.630 7.024) 8.176 5.071 ( -15.718 -5.556 2.593) 16.872 5.260 ( 1.911 -4.469 -5.346) 7.226 5.304 ( 13.369 -0.667 5.853) 14.610 5.489 ( 0.599 -2.403 -0.965) 2.658 5.656 ( 1.858 4.169 1.205) 4.720 5.883 ( -10.446 5.959 2.043) 12.198 6.068 ( 1.334 3.640 -2.025) 4.374 6.223 ( 8.389 5.853 -9.424) 13.909 6.319 ( 4.162 0.672 -4.472) 6.146 6.469 ( -2.560 -5.416 -6.421) 8.782 6.600 ( 5.271 -7.110 0.055) 8.851 6.660 ( -2.906 -2.772 0.532) 4.051 6.853 ( -4.654 6.982 -6.554) 10.647 7.051 ( -2.706 6.416 -6.909) 9.810 7.299 ( -1.594 0.263 -5.422) 5.658 7.428 ( 5.804 -3.391 -5.491) 8.680 7.498 ( -5.470 4.082 -5.066) 8.500 7.609 ( -1.796 -0.875 6.865) 7.150 8.009 ( -1.064 -2.600 -5.669) 6.327 8.138 ( -0.672 -0.680 -0.349) 1.018 8.232 ( -1.454 -0.786 2.151) 2.713 8.422 ( -1.841 -2.287 -0.205) 2.943 8.756 ( -4.390 -1.091 -5.345) 7.002 8.917 ( 4.405 0.975 2.562) 5.188 9.039 ( 4.163 0.600 -2.308) 4.797 9.129 ( 11.059 2.908 4.001) 12.114 9.491 ( -2.069 -4.434 -2.973) 5.726 9.965 ( -6.177 1.965 -3.984) 7.608 10.118 ( -8.522 -0.507 3.184) 9.112 10.404 ( 12.822 0.741 -7.477) 14.861 10.969 ( 8.228 -0.722 1.810) 8.456 11.734 ( -4.495 3.682 -0.917) 5.883 12.208 ( 1.416 1.682 2.296) 3.179 12.526 ( 4.758 -0.330 -1.001) 4.873 12.825 ( 4.288 -3.265 -2.509) 5.945 12.909 ( -2.324 -1.772 -11.750) 12.108 13.356 ( 3.053 -2.635 6.770) 7.880 13.573 ( -7.819 -0.179 -7.784) 11.034 13.688 ( 3.345 0.101 -3.838) 5.092 13.896 ( 5.475 0.905 -4.622) 7.222 14.066 ( -4.826 0.126 -6.419) 8.032 15.613 ( -7.757 0.862 -0.993) 7.868 16.429 ( 0.140 3.083 -1.774) 3.560 16.464 ( 0.057 1.114 11.437) 11.491 16.728 ( 1.931 -2.450 4.704) 5.644 16.968 ( -6.389 0.451 5.089) 8.181 17.189 ( -2.697 -6.455 7.620) 10.344 18.759 ( 21.995 -9.960 -0.404) 24.148 20.482 ( -18.381 7.109 -3.704) 20.053 20.855 ( 6.773 1.931 0.548) 7.064 21.099 ( 3.338 1.997 -2.235) 4.486 21.376 ( -0.975 -3.334 -4.332) 5.553 21.683 ( 2.120 0.345 -4.343) 4.845 22.043 ( 6.638 3.980 -6.370) 10.024 22.475 ( -4.634 -4.357 4.545) 7.818 22.679 ( 1.917 -4.393 7.003) 8.486 22.998 ( -11.431 10.074 -0.561) 15.247 23.628 ( -2.374 17.351 -14.477) 22.722 24.004 ( 1.820 -4.158 4.261) 6.225 24.957 ( 0.117 -5.578 9.214) 10.771 25.496 ( 0.875 7.673 2.152) 8.017 26.413 ( 5.756 -3.084 -4.366) 7.855 26.807 ( -7.734 -2.154 0.292) 8.033 27.014 ( 3.564 1.298 -9.265) 10.011 27.174 ( 4.958 -7.070 -2.721) 9.053 27.355 ( 1.763 10.433 -8.479) 13.559 27.968 ( 1.196 1.322 -6.586) 6.823 28.249 ( 5.899 -4.401 -5.601) 9.249 28.740 ( 2.553 4.505 -3.651) 6.335 28.814 ( 7.547 -3.786 8.241) 11.799 29.070 ( 3.199 5.395 -11.702) 13.277 29.700 ( -6.966 -2.313 -14.025) 15.830 30.217 ( 1.452 -4.879 0.998) 5.188 30.427 ( 3.737 -2.687 3.076) 5.536 30.855 ( -5.638 2.925 -2.779) 6.933 31.242 ( -3.455 5.454 -9.267) 11.294 31.834 ( 0.568 1.272 -0.376) 1.443 32.241 ( -6.443 -5.568 6.687) 10.828 32.463 ( -1.362 -1.451 9.183) 9.397 45.903 ( -0.479 1.466 9.929) 10.048 46.001 ( -4.135 -1.742 7.728) 8.937 47.982 ( 0.948 -1.669 -3.842) 4.295 48.176 ( 0.587 1.623 -0.590) 1.824 48.334 ( 0.055 2.778 -4.377) 5.185 48.654 ( 4.958 -1.894 -2.037) 5.685 48.910 ( 0.472 -0.647 -2.206) 2.346 49.510 ( -0.363 0.882 -1.642) 1.899 88.035 ( 1.345 -1.181 -1.355) 2.245 88.091 ( -0.647 1.689 -2.611) 3.176 88.965 ( -0.119 0.216 1.248) 1.272 89.130 ( -3.231 -1.154 1.583) 3.779 89.653 ( -7.095 -1.515 -3.061) 7.874 90.545 ( 15.869 -26.274 -1.612) 30.737 91.431 ( -11.185 3.441 3.848) 12.318 92.033 ( 3.533 12.411 13.300) 18.531 97.475 ( -0.097 -2.378 -0.378) 2.410 97.751 ( -1.370 2.030 5.026) 5.591 97.831 ( -0.430 5.046 0.794) 5.126 98.061 ( -3.222 -3.745 7.031) 8.593 99.539 ( 2.921 -4.487 1.879) 5.675 99.574 ( -1.574 5.375 -2.304) 6.056 99.814 ( 4.635 -9.416 -3.034) 10.925 100.374 ( -3.746 4.769 -14.648) 15.854 ======================= Grid point 97 (50/118) ======================= q-point: (-0.50 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -2.072 -0.000 -3.725) 4.263 2.566 ( 7.122 -0.000 30.265) 31.092 3.182 ( -25.824 -0.000 5.602) 26.425 3.462 ( 0.589 -0.000 47.666) 47.669 3.732 ( 17.864 -0.000 7.608) 19.417 4.324 ( 11.141 -0.000 12.323) 16.612 4.504 ( -16.961 -0.000 -4.900) 17.655 4.747 ( 0.225 -0.000 7.705) 7.708 4.941 ( -1.402 -0.000 6.123) 6.282 5.155 ( 6.138 -0.000 4.315) 7.503 5.232 ( -0.690 -0.000 3.216) 3.289 5.413 ( -5.023 -0.000 -0.596) 5.059 5.885 ( 11.488 -0.000 -6.940) 13.422 6.033 ( -9.623 -0.000 -2.453) 9.931 6.149 ( 6.264 -0.000 0.681) 6.301 6.189 ( -3.569 0.000 -2.574) 4.401 6.376 ( -2.311 -0.000 -5.013) 5.520 6.488 ( 2.154 -0.000 -1.071) 2.405 6.568 ( -2.034 -0.000 -5.978) 6.315 6.599 ( -17.283 -0.000 -7.266) 18.748 6.897 ( 3.609 -0.000 0.659) 3.668 7.179 ( 9.594 -0.000 -2.930) 10.031 7.347 ( 3.225 -0.000 -3.210) 4.550 7.470 ( -7.371 -0.000 -6.886) 10.088 7.604 ( -7.481 0.000 9.119) 11.795 7.606 ( -1.188 -0.000 2.450) 2.722 7.860 ( 9.625 -0.000 -5.114) 10.899 7.974 ( -0.301 -0.000 -5.097) 5.106 8.301 ( -5.071 -0.000 2.400) 5.611 8.549 ( -4.829 -0.000 -5.130) 7.045 8.706 ( 3.354 -0.000 11.873) 12.338 8.894 ( -2.901 -0.000 -15.110) 15.386 8.980 ( 6.217 -0.000 5.351) 8.203 9.125 ( -4.977 -0.000 -8.015) 9.434 9.432 ( 2.087 -0.000 0.364) 2.118 10.074 ( 3.554 -0.000 2.516) 4.355 10.132 ( 8.133 -0.000 3.867) 9.006 10.409 ( -8.845 -0.000 -10.283) 13.564 10.749 ( 12.758 -0.000 3.465) 13.220 11.910 ( -4.258 -0.000 -2.148) 4.769 12.247 ( 5.927 -0.000 -1.202) 6.047 12.523 ( -0.621 -0.000 -8.839) 8.861 12.636 ( 2.337 -0.000 2.133) 3.164 12.901 ( 0.222 -0.000 -8.964) 8.967 13.252 ( 1.922 -0.000 4.699) 5.077 13.528 ( 8.950 -0.000 4.489) 10.012 13.710 ( -4.621 -0.000 -7.713) 8.991 13.983 ( 2.864 -0.000 -9.827) 10.236 14.089 ( -2.289 -0.000 -4.314) 4.884 15.734 ( -2.492 -0.000 0.763) 2.606 16.388 ( 3.848 -0.000 0.050) 3.848 16.464 ( -2.684 -0.000 9.953) 10.308 16.691 ( 2.658 -0.000 9.271) 9.645 17.084 ( -8.002 -0.000 7.158) 10.736 17.156 ( -11.892 -0.000 -6.313) 13.464 18.354 ( 3.970 -0.000 3.274) 5.146 20.805 ( 2.050 -0.000 -6.304) 6.629 20.813 ( 5.396 -0.000 -4.060) 6.753 21.209 ( -3.457 -0.000 -0.046) 3.457 21.293 ( -1.250 -0.000 -5.255) 5.402 21.740 ( 7.487 -0.000 5.070) 9.042 21.947 ( -0.140 -0.000 -6.676) 6.677 22.314 ( -2.639 -0.000 22.189) 22.346 22.640 ( -3.297 -0.000 -13.615) 14.009 23.346 ( -1.221 -0.000 1.058) 1.616 23.836 ( 5.293 -0.000 3.296) 6.235 24.325 ( -8.482 -0.000 -26.649) 27.966 24.679 ( -3.990 -0.000 12.595) 13.212 25.891 ( -1.223 -0.000 -0.741) 1.430 26.253 ( 5.287 -0.000 -1.743) 5.567 26.729 ( 0.668 -0.000 -9.228) 9.252 27.064 ( -5.849 -0.000 1.845) 6.133 27.122 ( 0.148 -0.000 -10.221) 10.222 27.604 ( 4.454 -0.000 -6.559) 7.928 27.904 ( 2.350 -0.000 -6.520) 6.931 28.058 ( 4.487 -0.000 -1.095) 4.619 28.385 ( 4.147 -0.000 6.266) 7.513 28.726 ( 5.393 -0.000 4.004) 6.717 29.527 ( -3.078 0.000 -17.853) 18.117 29.752 ( -3.774 -0.000 -13.186) 13.716 30.043 ( 5.627 -0.000 15.671) 16.651 30.240 ( 0.331 -0.000 -2.616) 2.637 31.056 ( -5.873 -0.000 -1.410) 6.040 31.469 ( 1.825 -0.000 -20.679) 20.759 31.703 ( 4.528 -0.000 5.555) 7.166 32.226 ( -6.734 -0.000 11.940) 13.708 32.406 ( 1.851 -0.000 5.439) 5.745 45.905 ( -0.036 -0.000 10.241) 10.241 45.963 ( -3.871 -0.000 8.372) 9.224 47.956 ( 0.363 -0.000 -4.320) 4.335 48.218 ( 0.724 -0.000 -1.037) 1.265 48.440 ( -0.857 -0.000 -5.517) 5.583 48.496 ( 5.405 -0.000 0.959) 5.490 48.872 ( 1.009 -0.000 -1.331) 1.671 49.569 ( -0.682 -0.000 -2.878) 2.957 87.985 ( 0.372 -0.000 -1.463) 1.510 88.188 ( -1.749 -0.000 -3.813) 4.196 88.972 ( 2.374 -0.000 3.760) 4.447 89.088 ( 0.463 -0.000 4.102) 4.128 89.808 ( 7.791 -0.000 0.698) 7.822 89.844 ( -13.858 -0.000 0.950) 13.890 91.632 ( -9.039 -0.000 1.718) 9.200 92.141 ( 13.463 -0.000 7.270) 15.301 97.426 ( -0.466 -0.000 -0.993) 1.097 97.814 ( -2.691 -0.000 5.778) 6.374 97.904 ( 4.083 -0.000 3.609) 5.449 98.019 ( -3.296 -0.000 5.661) 6.551 99.245 ( 2.571 -0.000 1.013) 2.763 99.531 ( 0.332 -0.000 -1.683) 1.715 99.832 ( -2.958 -0.000 -3.809) 4.823 100.661 ( -2.591 -0.000 -16.576) 16.777 ======================= Grid point 99 (51/118) ======================= q-point: (-0.33 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -0.419 3.525 4.617) 5.824 2.654 ( -1.513 11.831 27.477) 29.954 2.801 ( -27.719 -5.922 11.278) 30.506 3.576 ( -17.515 0.038 13.093) 21.868 4.112 ( 17.458 -6.153 4.975) 19.167 4.337 ( 5.175 0.540 23.118) 23.696 4.451 ( -2.821 0.260 11.919) 12.251 4.810 ( -1.118 -3.676 3.117) 4.948 4.928 ( -7.767 -2.532 7.150) 10.856 5.192 ( -2.376 0.332 -3.275) 4.060 5.343 ( 12.997 2.711 5.393) 14.330 5.434 ( 4.633 -2.798 3.882) 6.660 5.817 ( -5.742 7.439 1.131) 9.465 6.038 ( -3.203 4.253 -2.150) 5.742 6.076 ( 2.496 -2.339 -6.473) 7.322 6.273 ( 1.642 -5.361 0.254) 5.613 6.329 ( -1.846 -0.658 -2.785) 3.406 6.370 ( 0.469 2.387 -2.662) 3.606 6.486 ( 1.755 0.226 -5.309) 5.596 6.585 ( 2.415 -3.878 -3.769) 5.922 6.946 ( 1.449 1.178 -2.220) 2.901 7.222 ( -6.136 4.149 -6.887) 10.114 7.299 ( 0.575 0.239 -1.522) 1.645 7.388 ( 3.461 0.969 -3.097) 4.745 7.545 ( -5.113 -0.081 -1.816) 5.426 7.622 ( 2.903 1.158 7.541) 8.164 7.931 ( -0.295 -3.910 0.068) 3.921 8.029 ( 3.060 -4.074 -8.080) 9.552 8.224 ( -3.731 0.446 0.948) 3.875 8.452 ( -2.079 3.999 -2.411) 5.112 8.638 ( -7.122 -6.582 -7.478) 12.246 8.974 ( 3.643 2.984 1.024) 4.819 9.040 ( 5.432 -1.111 0.667) 5.584 9.149 ( 7.935 -0.838 2.163) 8.267 9.456 ( 0.687 0.854 0.389) 1.163 10.047 ( -8.346 3.437 -2.857) 9.467 10.104 ( -7.585 -0.959 0.050) 7.646 10.411 ( 13.106 -0.021 -5.938) 14.389 10.968 ( 10.370 0.182 0.765) 10.400 11.800 ( -5.344 1.326 -1.718) 5.768 12.305 ( 3.756 4.464 1.318) 5.981 12.514 ( 2.892 -0.854 -3.317) 4.483 12.708 ( 1.896 -3.828 0.160) 4.275 12.858 ( -1.935 -1.858 -10.854) 11.180 13.329 ( 4.873 -0.055 3.575) 6.044 13.564 ( -8.023 -0.185 -7.778) 11.176 13.687 ( 6.457 -0.410 1.235) 6.587 13.963 ( 3.913 3.549 -7.652) 9.298 14.046 ( -2.132 -1.696 -5.221) 5.889 15.645 ( -6.280 1.102 -0.393) 6.389 16.450 ( 3.220 -0.226 -0.208) 3.235 16.505 ( 0.912 0.892 11.069) 11.142 16.750 ( -0.334 3.757 7.116) 8.054 16.969 ( -10.774 -3.538 4.218) 12.099 16.989 ( -5.108 -4.141 2.061) 6.891 18.575 ( 17.630 -3.891 0.755) 18.070 20.643 ( -16.724 4.131 -6.106) 18.276 20.824 ( 2.210 -1.779 -4.832) 5.604 21.241 ( 5.907 4.749 -0.847) 7.626 21.295 ( 3.353 -2.000 -3.886) 5.508 21.782 ( 2.155 7.411 -0.889) 7.769 21.998 ( 3.869 -6.696 -1.979) 7.982 22.404 ( -1.737 -3.383 19.087) 19.462 22.539 ( -2.780 -1.811 -6.190) 7.023 23.227 ( -9.221 5.437 -4.675) 11.681 23.899 ( -0.859 -1.952 3.081) 3.747 23.982 ( -9.309 7.459 -19.924) 23.222 24.749 ( 0.082 -6.502 11.713) 13.397 25.789 ( -2.278 9.500 -1.534) 9.889 26.374 ( 8.152 -0.066 0.243) 8.156 26.715 ( -1.964 -4.076 -7.610) 8.854 27.003 ( -1.939 -2.009 -1.118) 3.008 27.065 ( -0.416 -0.429 -10.175) 10.193 27.601 ( 3.222 6.642 -7.222) 10.327 27.943 ( 2.753 -2.955 -6.484) 7.639 28.148 ( 5.983 -2.288 -4.838) 8.027 28.513 ( 3.097 -6.342 6.100) 9.328 28.886 ( 10.576 1.951 9.523) 14.365 29.336 ( -3.574 7.085 -15.757) 17.643 29.624 ( -6.605 -2.672 -14.100) 15.798 30.181 ( 5.265 2.584 4.885) 7.633 30.313 ( 4.810 -5.567 2.740) 7.851 30.927 ( -6.429 1.785 -2.637) 7.175 31.331 ( -5.112 1.513 -16.947) 17.766 31.822 ( 4.241 -1.222 5.653) 7.172 32.150 ( -8.719 -1.175 9.202) 12.731 32.459 ( 0.783 0.281 6.990) 7.039 45.929 ( -3.438 0.340 8.681) 9.343 45.970 ( 0.330 -0.458 9.627) 9.644 47.950 ( 0.655 -0.708 -4.047) 4.161 48.217 ( 0.635 1.105 -1.064) 1.661 48.383 ( -1.514 0.920 -4.479) 4.816 48.619 ( 7.206 -0.684 -0.420) 7.250 48.890 ( 1.195 -0.646 -1.394) 1.946 49.533 ( -1.223 0.645 -3.139) 3.430 87.994 ( 0.699 -1.166 -1.383) 1.940 88.133 ( -1.794 0.963 -3.448) 4.004 89.002 ( 0.736 1.962 1.285) 2.458 89.103 ( -1.423 -0.692 2.933) 3.333 89.648 ( -9.453 0.649 0.417) 9.484 90.015 ( 7.682 -12.477 0.780) 14.673 91.483 ( -9.477 0.935 3.389) 10.108 92.350 ( 12.941 8.340 7.694) 17.211 97.426 ( 0.034 -1.134 -0.822) 1.401 97.787 ( -2.894 0.657 5.425) 6.184 97.947 ( 0.228 2.644 2.099) 3.383 98.014 ( 0.015 0.040 7.842) 7.842 99.344 ( 4.106 -5.835 1.173) 7.231 99.568 ( 0.852 -5.897 -1.805) 6.225 99.739 ( -3.013 3.333 -4.117) 6.094 100.484 ( -6.827 2.527 -16.333) 17.882 ======================= Grid point 100 (52/118) ======================= q-point: (-0.17 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 4.044 -0.197 14.497) 15.052 2.443 ( -25.183 -7.645 11.075) 28.553 2.631 ( 0.702 15.522 19.324) 24.796 3.195 ( -29.520 -8.435 6.248) 31.331 4.260 ( -16.453 -6.125 14.211) 22.587 4.450 ( 2.767 -1.867 5.993) 6.860 4.647 ( -0.514 -1.762 6.036) 6.309 4.788 ( -0.802 4.326 6.451) 7.808 4.889 ( 0.287 -1.274 15.149) 15.205 5.160 ( -1.866 -4.849 -4.846) 7.105 5.464 ( -0.533 2.987 3.081) 4.324 5.618 ( 12.021 -2.313 8.781) 15.065 5.685 ( -0.966 2.908 0.001) 3.064 5.924 ( 4.150 6.998 6.323) 10.305 6.106 ( -2.665 1.809 -0.007) 3.221 6.247 ( -3.653 -0.892 -3.354) 5.039 6.360 ( 4.009 -0.874 1.048) 4.234 6.522 ( 13.126 -2.654 -3.486) 13.838 6.598 ( 5.268 -5.410 -1.298) 7.662 6.696 ( 13.204 -1.462 -6.235) 14.675 6.861 ( -2.096 5.603 -2.730) 6.575 7.039 ( -5.459 5.217 -6.481) 9.951 7.217 ( -3.422 3.426 -2.646) 5.518 7.438 ( -3.334 1.612 -3.372) 5.008 7.515 ( 10.061 -1.442 -6.621) 12.130 7.676 ( 1.649 2.263 4.404) 5.219 7.872 ( -7.595 -0.549 -7.747) 10.863 8.106 ( 1.307 -3.684 -1.505) 4.188 8.202 ( -2.134 -1.720 6.595) 7.142 8.359 ( -3.874 -0.385 -2.433) 4.591 8.647 ( 1.199 -5.689 -8.103) 9.973 8.951 ( 0.328 1.980 -1.454) 2.479 9.185 ( 7.657 0.361 3.143) 8.285 9.350 ( 10.103 -2.946 6.002) 12.115 9.446 ( 1.523 2.115 -0.456) 2.646 9.807 ( -10.679 3.425 -1.208) 11.279 9.985 ( -7.575 -0.489 -6.049) 9.706 10.606 ( 12.644 0.377 -6.664) 14.298 11.044 ( 0.124 1.953 -3.609) 4.105 11.721 ( -0.912 1.642 -0.325) 1.906 12.281 ( -0.093 5.431 4.407) 6.994 12.576 ( 3.043 -1.043 -1.656) 3.618 12.781 ( -1.205 -5.501 -8.240) 9.981 12.792 ( -1.679 -3.247 -4.080) 5.479 13.373 ( -5.342 -1.405 -10.196) 11.596 13.456 ( 3.451 1.450 4.139) 5.581 13.716 ( -0.940 1.123 -3.633) 3.917 13.981 ( 2.771 1.733 -8.431) 9.043 14.026 ( 4.504 1.109 -0.105) 4.639 15.531 ( -3.894 2.502 1.505) 4.867 16.439 ( -2.429 3.315 -3.492) 5.393 16.548 ( 1.011 1.699 10.458) 10.643 16.740 ( 1.142 -2.842 3.477) 4.633 16.871 ( -7.700 -0.884 6.561) 10.155 17.106 ( 0.952 -9.863 10.262) 14.265 19.017 ( 25.038 -9.050 -2.050) 26.702 20.171 ( -26.629 7.396 -7.504) 28.638 20.880 ( 1.767 -4.571 -3.075) 5.786 21.249 ( 4.688 6.164 -2.451) 8.123 21.352 ( 3.318 0.517 -3.834) 5.097 21.728 ( 2.440 3.060 -2.772) 4.796 22.124 ( 3.016 -2.384 -3.533) 5.221 22.376 ( -4.756 1.839 2.093) 5.512 22.678 ( 3.132 -9.666 12.596) 16.183 22.894 ( -12.299 7.483 -4.984) 15.235 23.719 ( -0.306 9.224 -10.608) 14.061 23.938 ( -3.467 -7.769 3.619) 9.245 24.911 ( 0.311 -7.734 10.285) 12.872 25.601 ( -2.876 9.866 -0.908) 10.317 26.474 ( 4.689 1.628 -4.806) 6.909 26.690 ( -2.630 -2.526 1.312) 3.876 27.006 ( 1.851 -2.453 -10.623) 11.058 27.112 ( 2.651 -8.900 -4.370) 10.264 27.480 ( 0.909 10.607 -8.231) 13.457 27.964 ( 0.976 0.359 -7.026) 7.102 28.274 ( 7.079 -4.156 -6.896) 10.721 28.709 ( 2.927 -11.174 2.977) 11.929 28.974 ( -0.490 8.323 -2.111) 8.601 29.196 ( 7.432 7.266 -5.126) 11.589 29.470 ( -6.748 -2.709 -9.172) 11.705 30.254 ( 4.946 -0.254 -0.502) 4.978 30.463 ( 3.546 -2.122 -2.055) 4.615 30.818 ( -1.728 1.364 3.740) 4.340 31.158 ( -5.540 0.651 -8.716) 10.348 31.874 ( 0.626 2.696 -2.212) 3.543 32.089 ( -7.905 -4.772 13.138) 16.058 32.478 ( -1.241 1.066 6.270) 6.480 45.902 ( -4.564 -0.806 8.215) 9.432 46.025 ( 1.397 1.739 9.426) 9.687 47.958 ( 0.877 -1.388 -3.750) 4.094 48.204 ( 0.399 1.512 -0.973) 1.841 48.336 ( -0.268 0.848 -4.151) 4.245 48.716 ( 4.519 0.758 -2.912) 5.429 48.906 ( 0.892 -0.159 -1.916) 2.120 49.498 ( -0.475 -0.147 -2.167) 2.223 88.031 ( 1.612 -2.493 -1.178) 3.195 88.079 ( -1.097 1.034 -2.872) 3.244 88.968 ( -1.869 1.222 0.326) 2.257 89.084 ( -2.508 0.173 1.823) 3.105 89.525 ( -4.891 -0.239 -0.061) 4.898 90.339 ( 1.291 -22.016 -0.682) 22.065 91.346 ( -5.789 1.475 3.990) 7.184 92.398 ( 8.154 17.646 8.018) 21.027 97.447 ( 0.398 -1.887 -0.361) 1.962 97.749 ( -2.806 1.435 4.299) 5.330 97.909 ( -0.701 2.866 2.220) 3.693 98.049 ( 0.706 1.981 8.203) 8.469 99.512 ( 3.064 -8.219 1.230) 8.857 99.595 ( -2.938 4.934 -2.166) 6.138 99.739 ( 4.632 -12.018 -4.199) 13.547 100.251 ( -7.507 2.459 -13.027) 15.235 ======================= Grid point 105 (53/118) ======================= q-point: (-0.33 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -6.158 0.000 12.721) 14.133 2.302 ( -20.785 0.000 10.605) 23.334 2.865 ( -12.513 0.000 5.983) 13.869 3.096 ( -22.800 0.000 14.931) 27.254 4.201 ( -26.533 0.000 18.527) 32.362 4.319 ( 9.877 -0.000 0.716) 9.903 4.695 ( -3.522 0.000 -6.568) 7.453 4.748 ( 13.094 -0.000 21.423) 25.108 4.933 ( 0.746 -0.000 10.063) 10.090 5.126 ( -3.421 0.000 -1.481) 3.728 5.519 ( 9.314 -0.000 -3.029) 9.794 5.575 ( -2.565 0.000 11.068) 11.361 5.756 ( -0.271 0.000 5.740) 5.747 6.083 ( 5.902 -0.000 5.574) 8.119 6.111 ( 0.579 -0.000 -7.090) 7.113 6.177 ( -5.520 0.000 1.730) 5.785 6.350 ( 3.126 -0.000 2.231) 3.840 6.450 ( 7.599 -0.000 4.030) 8.601 6.538 ( 7.865 -0.000 -8.533) 11.605 6.673 ( 15.826 -0.000 -7.955) 17.713 6.928 ( -3.815 0.000 -0.354) 3.831 7.112 ( -5.904 0.000 -6.748) 8.966 7.288 ( -2.321 0.000 6.309) 6.723 7.465 ( -3.033 0.000 -6.024) 6.745 7.503 ( 10.207 -0.000 -7.162) 12.469 7.736 ( 4.050 -0.000 3.921) 5.637 7.840 ( -6.328 0.000 -3.955) 7.462 7.997 ( 1.514 -0.000 -5.100) 5.320 8.193 ( -1.465 0.000 4.490) 4.723 8.384 ( -8.593 0.000 -5.570) 10.240 8.535 ( 4.856 -0.000 -5.038) 6.997 8.975 ( 0.184 -0.000 -2.817) 2.823 9.231 ( 8.694 -0.000 12.081) 14.885 9.239 ( 6.082 -0.000 -7.020) 9.288 9.507 ( 3.353 -0.000 4.428) 5.554 9.881 ( -9.716 0.000 3.159) 10.216 9.969 ( -7.920 0.000 -10.147) 12.872 10.609 ( 12.455 -0.000 -5.646) 13.675 11.078 ( 2.780 -0.000 -4.481) 5.273 11.738 ( -1.599 0.000 -1.466) 2.169 12.415 ( 2.616 -0.000 5.130) 5.758 12.544 ( 3.348 -0.000 0.135) 3.351 12.667 ( -2.893 0.000 -1.630) 3.321 12.743 ( -3.786 0.000 -12.818) 13.365 13.355 ( -4.712 0.000 -10.806) 11.789 13.482 ( 4.114 -0.000 4.652) 6.210 13.729 ( -1.274 0.000 -3.184) 3.429 14.012 ( 3.213 -0.000 -8.520) 9.106 14.040 ( 4.812 -0.000 0.497) 4.838 15.578 ( -2.548 0.000 0.616) 2.622 16.472 ( 0.023 -0.000 -3.274) 3.274 16.591 ( 1.662 -0.000 10.164) 10.299 16.733 ( -7.154 0.000 0.383) 7.165 16.849 ( -7.110 0.000 13.805) 15.529 16.920 ( 2.029 -0.000 5.352) 5.724 18.897 ( 24.151 -0.000 -1.323) 24.187 20.281 ( -24.741 0.000 -10.678) 26.947 20.813 ( 0.858 -0.000 -3.549) 3.652 21.276 ( 2.915 -0.000 -4.617) 5.461 21.429 ( 6.992 -0.000 -4.321) 8.220 21.854 ( -0.832 0.000 -8.699) 8.739 21.997 ( 4.398 -0.000 7.442) 8.644 22.446 ( -1.714 0.000 21.861) 21.928 22.472 ( -0.495 0.000 -4.135) 4.164 23.024 ( -14.019 0.000 -9.475) 16.921 23.817 ( -8.293 0.000 4.424) 9.399 23.847 ( -3.141 0.000 -12.492) 12.881 24.783 ( 1.743 -0.000 12.581) 12.701 25.782 ( -4.440 0.000 -5.442) 7.024 26.535 ( 8.697 -0.000 3.821) 9.500 26.617 ( -1.386 0.000 -11.893) 11.974 26.951 ( -1.171 0.000 0.472) 1.262 26.990 ( -0.818 0.000 -11.964) 11.992 27.649 ( 0.784 -0.000 -8.986) 9.020 27.942 ( 3.105 -0.000 -5.568) 6.376 28.213 ( 6.655 -0.000 -6.591) 9.366 28.534 ( 0.678 -0.000 7.364) 7.395 29.091 ( -0.214 0.000 1.136) 1.156 29.303 ( 9.014 -0.000 -2.642) 9.393 29.434 ( -6.672 0.000 -12.613) 14.269 30.287 ( 2.619 -0.000 -3.474) 4.350 30.395 ( 8.466 -0.000 1.761) 8.648 30.847 ( -3.916 0.000 4.309) 5.822 31.153 ( -7.288 0.000 -13.103) 14.994 31.906 ( 2.687 -0.000 0.949) 2.850 32.031 ( -9.385 0.000 13.228) 16.219 32.496 ( -0.402 0.000 5.726) 5.740 45.890 ( -4.703 0.000 7.906) 9.199 46.051 ( 2.565 -0.000 9.952) 10.278 47.940 ( 0.898 -0.000 -3.710) 3.817 48.226 ( 0.346 -0.000 -1.425) 1.466 48.344 ( -1.297 0.000 -4.042) 4.245 48.729 ( 6.438 -0.000 -2.288) 6.832 48.902 ( 1.431 -0.000 -1.388) 1.993 49.498 ( -1.331 0.000 -3.171) 3.439 87.989 ( 0.536 -0.000 -1.199) 1.313 88.097 ( -1.344 0.000 -3.136) 3.412 88.997 ( -2.980 0.000 -1.454) 3.316 89.083 ( -2.109 0.000 2.389) 3.187 89.556 ( -4.262 0.000 4.522) 6.214 90.002 ( 2.692 -0.000 -2.361) 3.581 91.366 ( -7.549 0.000 4.166) 8.623 92.666 ( 13.259 -0.000 6.118) 14.602 97.421 ( 0.537 -0.000 -0.433) 0.689 97.771 ( -2.424 0.000 5.360) 5.883 97.930 ( -3.310 0.000 2.588) 4.202 98.113 ( 4.392 -0.000 8.398) 9.477 99.368 ( 3.284 -0.000 0.072) 3.285 99.524 ( 0.191 -0.000 -1.970) 1.980 99.683 ( -3.697 0.000 -3.979) 5.431 100.299 ( -8.236 0.000 -13.778) 16.052 ======================= Grid point 106 (54/118) ======================= q-point: (-0.17 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -26.715 -7.089 18.791) 33.423 2.211 ( -41.055 -3.126 -7.901) 41.925 2.473 ( 7.051 -5.673 14.937) 17.464 3.183 ( 1.850 2.956 31.516) 31.708 3.874 ( -21.616 -1.506 23.299) 31.817 4.340 ( -7.268 -1.547 -4.976) 8.943 4.722 ( 6.267 -0.685 2.178) 6.670 4.927 ( 2.226 5.427 1.046) 5.959 4.934 ( -1.447 -1.077 8.471) 8.661 5.091 ( -0.568 -0.399 0.840) 1.089 5.477 ( -5.791 3.582 8.707) 11.053 5.674 ( 6.442 -2.253 -7.928) 10.461 5.802 ( 2.118 0.291 5.064) 5.497 5.997 ( -7.275 1.000 0.947) 7.404 6.110 ( -0.919 2.503 0.678) 2.751 6.216 ( 0.918 0.217 5.370) 5.452 6.447 ( 3.120 -3.100 2.807) 5.218 6.644 ( 10.051 -0.001 -1.329) 10.139 6.690 ( 11.161 -1.811 3.431) 11.816 6.835 ( -4.715 -0.017 -1.849) 5.065 6.985 ( 20.932 -0.446 -2.652) 21.104 7.008 ( 0.588 3.533 -4.905) 6.074 7.250 ( -0.186 4.401 -1.069) 4.533 7.352 ( -5.275 0.078 -9.439) 10.813 7.597 ( 2.743 -0.870 -9.634) 10.055 7.679 ( -6.481 2.396 -2.370) 7.305 7.818 ( 7.807 2.740 -0.191) 8.276 8.078 ( 3.966 -5.885 -1.744) 7.308 8.160 ( -8.401 -0.529 11.732) 14.439 8.292 ( 0.980 -0.720 -4.588) 4.746 8.595 ( 2.323 -2.563 -5.841) 6.788 8.969 ( 0.628 0.649 -4.120) 4.218 9.303 ( 7.995 0.928 -5.082) 9.518 9.454 ( 7.448 -4.012 10.373) 13.386 9.579 ( 2.565 4.423 4.319) 6.693 9.746 ( -4.428 2.033 -6.752) 8.326 9.795 ( -6.231 -0.074 0.475) 6.250 10.747 ( 7.211 0.227 -6.820) 9.928 10.977 ( -8.531 3.476 -12.402) 15.448 11.745 ( 3.084 -0.052 -1.476) 3.420 12.389 ( -1.598 9.522 6.305) 11.532 12.566 ( -2.842 -0.702 -5.755) 6.456 12.639 ( -2.083 -2.753 -8.968) 9.610 12.713 ( 2.487 -8.908 4.304) 10.201 13.240 ( -3.155 -0.570 -5.337) 6.226 13.572 ( 4.825 2.484 -1.796) 5.717 13.661 ( -2.919 -0.397 -3.306) 4.428 14.008 ( 1.875 2.014 -5.805) 6.424 14.144 ( 6.541 0.362 0.000) 6.551 15.566 ( 2.203 2.502 2.993) 4.480 16.405 ( -3.329 1.993 -4.252) 5.756 16.619 ( -0.903 1.924 8.762) 9.016 16.722 ( 0.137 -4.347 4.249) 6.080 16.760 ( -7.069 -0.475 3.743) 8.013 17.082 ( 3.490 -7.843 13.707) 16.173 19.349 ( 26.840 -4.760 -2.007) 27.333 19.727 ( -31.026 5.236 -13.394) 34.197 20.828 ( 0.103 -3.238 -1.857) 3.734 21.322 ( 4.280 -0.601 -4.992) 6.603 21.420 ( 0.022 4.752 -7.834) 9.163 21.787 ( 1.210 1.981 -6.612) 7.008 22.081 ( -1.451 -0.642 1.723) 2.342 22.413 ( -0.252 6.238 4.703) 7.816 22.642 ( 2.294 -13.581 16.344) 21.373 22.772 ( -6.395 3.195 -5.800) 9.205 23.718 ( -9.595 -7.509 1.086) 12.232 23.770 ( 0.394 1.912 -4.432) 4.843 24.888 ( -0.112 -3.995 11.763) 12.423 25.608 ( -7.409 5.533 -6.330) 11.206 26.511 ( -0.395 3.301 -11.967) 12.420 26.704 ( 6.003 -1.565 5.170) 8.075 26.943 ( 1.166 -2.443 -9.593) 9.968 27.016 ( 1.874 -7.657 -3.807) 8.755 27.549 ( -1.751 6.259 -9.462) 11.479 27.962 ( 1.868 0.626 -5.798) 6.123 28.311 ( 6.539 -2.654 -6.757) 9.770 28.616 ( -0.806 -8.279 5.424) 9.931 28.910 ( -10.175 2.091 -10.883) 15.044 29.242 ( -5.370 5.726 -11.144) 13.631 29.590 ( 17.045 2.289 8.353) 19.119 30.300 ( 1.121 -0.501 -3.469) 3.680 30.487 ( 4.050 0.984 -7.018) 8.162 30.890 ( 4.829 -0.164 13.709) 14.536 31.029 ( -3.322 -2.915 -5.385) 6.966 31.827 ( -6.677 0.927 -5.525) 8.717 32.048 ( -1.090 -1.273 17.627) 17.707 32.494 ( -1.709 1.077 3.755) 4.264 45.854 ( -4.370 -0.519 8.080) 9.200 46.126 ( 2.274 1.958 8.864) 9.358 47.946 ( 1.214 -0.675 -3.307) 3.587 48.216 ( -0.046 0.868 -1.544) 1.772 48.312 ( -0.485 -0.446 -3.902) 3.958 48.776 ( 2.041 2.005 -5.748) 6.421 48.917 ( 1.249 0.225 -1.765) 2.174 49.476 ( -0.115 -0.752 -1.568) 1.743 88.011 ( 0.985 -2.829 -1.215) 3.233 88.063 ( -0.530 0.675 -2.663) 2.798 88.940 ( -1.903 0.116 3.188) 3.715 89.055 ( -2.401 0.029 1.809) 3.006 89.503 ( -2.081 3.186 4.216) 5.680 90.091 ( -1.913 -12.592 -3.638) 13.246 91.289 ( -3.820 -0.981 4.283) 5.823 92.783 ( 7.808 15.337 4.768) 17.858 97.439 ( 0.934 -0.985 0.190) 1.371 97.748 ( -2.137 1.631 4.419) 5.172 97.890 ( -2.854 -0.830 2.155) 3.671 98.196 ( 4.361 5.648 8.855) 11.372 99.450 ( 0.982 -6.193 -0.325) 6.278 99.588 ( -2.406 2.228 -0.568) 3.328 99.618 ( 3.117 -13.042 -4.417) 14.118 100.103 ( -6.594 1.909 -10.256) 12.341 ======================= Grid point 112 (55/118) ======================= q-point: (-0.17 -0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -34.566 0.000 11.765) 36.514 1.601 ( -20.683 0.000 28.749) 35.416 2.678 ( 10.097 -0.000 16.791) 19.593 3.062 ( -30.772 0.000 46.171) 55.486 4.007 ( 18.640 -0.000 14.727) 23.756 4.192 ( -5.523 0.000 -5.736) 7.963 4.829 ( 3.010 -0.000 8.294) 8.823 4.871 ( -3.069 0.000 2.110) 3.724 5.043 ( 2.997 -0.000 -2.324) 3.793 5.079 ( -1.105 0.000 5.682) 5.788 5.454 ( -3.999 0.000 6.930) 8.001 5.732 ( 5.545 -0.000 -10.827) 12.165 5.803 ( -2.190 0.000 3.045) 3.750 5.902 ( -5.003 0.000 1.235) 5.154 6.059 ( -2.457 0.000 -8.699) 9.039 6.215 ( -6.906 0.000 9.074) 11.403 6.467 ( 1.477 -0.000 2.541) 2.939 6.709 ( -1.770 0.000 1.242) 2.163 6.766 ( -9.468 0.000 -7.201) 11.896 6.793 ( 6.944 -0.000 -6.564) 9.556 7.042 ( 3.220 -0.000 -7.306) 7.984 7.260 ( -3.354 0.000 2.867) 4.412 7.283 ( 13.365 -0.000 2.063) 13.523 7.338 ( 11.879 -0.000 -5.778) 13.209 7.552 ( -0.511 0.000 -12.282) 12.293 7.578 ( -4.382 0.000 -3.585) 5.662 8.033 ( -10.535 0.000 8.970) 13.836 8.073 ( 15.337 -0.000 4.206) 15.903 8.103 ( 6.024 -0.000 -3.139) 6.793 8.297 ( -0.636 0.000 1.398) 1.536 8.585 ( 0.731 -0.000 -3.465) 3.542 8.947 ( -0.186 0.000 -7.557) 7.559 9.449 ( 9.747 -0.000 -7.346) 12.205 9.449 ( -15.010 0.000 -12.169) 19.323 9.610 ( 7.348 -0.000 13.171) 15.082 9.710 ( 3.511 -0.000 6.922) 7.761 9.901 ( 9.194 -0.000 -1.781) 9.365 10.685 ( -16.248 0.000 -18.030) 24.272 10.809 ( -0.004 0.000 -7.409) 7.409 11.798 ( 3.879 -0.000 -2.646) 4.695 12.408 ( -6.116 0.000 -6.386) 8.842 12.435 ( -5.549 0.000 -5.864) 8.074 12.695 ( 2.932 -0.000 5.258) 6.020 12.713 ( 10.685 -0.000 4.952) 11.777 13.239 ( 4.283 -0.000 5.298) 6.813 13.574 ( -3.178 0.000 -4.397) 5.425 13.669 ( 5.001 -0.000 -5.029) 7.092 14.046 ( 3.089 -0.000 -0.255) 3.099 14.229 ( 3.585 -0.000 -2.055) 4.133 15.662 ( 4.844 -0.000 3.365) 5.898 16.353 ( -2.105 0.000 -3.002) 3.667 16.610 ( -8.211 0.000 8.668) 11.939 16.692 ( 0.004 -0.000 4.310) 4.310 16.710 ( 0.969 -0.000 1.198) 1.541 17.148 ( 2.898 -0.000 13.087) 13.404 19.144 ( -34.817 0.000 -13.805) 37.454 19.756 ( 25.975 -0.000 -0.743) 25.985 20.791 ( -1.391 0.000 -0.509) 1.482 21.364 ( 4.270 -0.000 -4.479) 6.189 21.366 ( -4.285 0.000 -9.842) 10.734 21.758 ( 0.582 -0.000 -9.847) 9.864 22.055 ( -4.221 0.000 -3.823) 5.695 22.566 ( 4.173 -0.000 11.328) 12.072 22.582 ( -2.069 0.000 18.495) 18.610 22.732 ( 2.079 -0.000 -5.353) 5.742 23.451 ( -14.240 0.000 2.595) 14.475 23.806 ( 3.695 -0.000 -1.290) 3.914 24.902 ( -2.103 0.000 12.142) 12.323 25.438 ( -11.717 0.000 -6.570) 13.433 26.470 ( 1.032 -0.000 -14.337) 14.374 26.835 ( 6.499 -0.000 5.531) 8.534 26.914 ( 2.651 -0.000 -9.810) 10.161 26.991 ( 3.097 -0.000 -0.712) 3.178 27.488 ( -4.512 0.000 -10.038) 11.005 27.970 ( 1.217 -0.000 -5.817) 5.943 28.369 ( 5.788 -0.000 -5.330) 7.868 28.542 ( -3.844 0.000 4.209) 5.700 28.669 ( -12.808 0.000 -7.969) 15.085 29.189 ( -0.709 0.000 -7.817) 7.849 29.869 ( 9.396 -0.000 -4.069) 10.240 30.275 ( -0.463 0.000 -3.243) 3.276 30.591 ( 9.342 -0.000 -1.987) 9.551 30.944 ( -0.905 0.000 -3.605) 3.717 31.075 ( 6.787 -0.000 14.904) 16.376 31.719 ( -1.349 0.000 -3.765) 4.000 32.129 ( 1.633 -0.000 19.472) 19.540 32.478 ( -2.545 0.000 1.464) 2.936 45.823 ( -3.474 0.000 8.427) 9.115 46.211 ( 1.176 -0.000 6.438) 6.544 47.951 ( 1.660 -0.000 -2.783) 3.241 48.210 ( -0.428 0.000 -1.787) 1.837 48.281 ( -0.335 0.000 -3.872) 3.887 48.753 ( -2.656 0.000 -8.284) 8.699 48.930 ( 1.060 -0.000 -2.026) 2.287 49.473 ( 0.895 -0.000 -0.124) 0.903 87.995 ( 0.379 -0.000 -0.879) 0.957 88.054 ( 0.350 -0.000 -2.312) 2.339 89.025 ( -2.187 0.000 1.864) 2.873 89.032 ( 10.917 -0.000 14.156) 17.877 89.515 ( -2.335 0.000 5.714) 6.173 89.952 ( -2.146 0.000 -6.277) 6.634 91.248 ( -2.126 0.000 4.874) 5.318 93.009 ( 2.512 -0.000 -1.507) 2.929 97.455 ( 1.325 -0.000 0.961) 1.637 97.753 ( -1.718 0.000 4.371) 4.696 97.835 ( -3.323 0.000 0.893) 3.440 98.368 ( 5.102 -0.000 5.837) 7.752 99.406 ( -0.640 0.000 -1.046) 1.227 99.532 ( 1.610 -0.000 -2.001) 2.569 99.591 ( 2.288 -0.000 4.369) 4.932 99.996 ( -3.099 0.000 -6.878) 7.544 ======================= Grid point 113 (56/118) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 1.114 -0.000 39.054) 39.070 2.567 ( 3.214 -0.000 41.504) 41.628 3.138 ( -10.967 0.000 14.635) 18.288 4.067 ( 7.489 -0.000 44.081) 44.713 4.157 ( -0.984 0.000 1.183) 1.539 4.893 ( -12.249 0.000 10.736) 16.288 4.958 ( -1.808 0.000 -0.249) 1.825 5.110 ( 13.086 -0.000 6.138) 14.454 5.199 ( 5.296 -0.000 0.395) 5.310 5.270 ( 6.577 -0.000 1.656) 6.782 5.411 ( -1.473 0.000 -7.806) 7.944 5.495 ( -2.410 0.000 6.677) 7.099 5.624 ( -1.092 0.000 -7.362) 7.442 5.725 ( 1.970 -0.000 2.914) 3.518 5.924 ( 5.956 -0.000 -4.458) 7.440 6.030 ( -19.896 0.000 9.777) 22.169 6.170 ( 0.064 -0.000 -2.280) 2.280 6.237 ( -0.418 0.000 -20.461) 20.465 6.651 ( -2.045 0.000 -3.303) 3.885 6.746 ( -8.598 0.000 -6.343) 10.684 6.907 ( 4.155 -0.000 -0.246) 4.162 6.977 ( -0.834 0.000 2.410) 2.550 7.132 ( 3.227 -0.000 -5.193) 6.114 7.288 ( -11.279 0.000 -13.640) 17.699 7.439 ( 3.755 -0.000 2.367) 4.438 7.836 ( -8.466 0.000 1.732) 8.641 7.880 ( 5.186 -0.000 -12.594) 13.620 8.074 ( 6.929 -0.000 4.553) 8.291 8.223 ( -2.047 0.000 -6.767) 7.070 8.557 ( 0.056 -0.000 -4.025) 4.026 8.732 ( -3.426 0.000 -2.402) 4.184 8.861 ( 0.335 -0.000 -0.078) 0.344 8.892 ( -2.870 0.000 -11.138) 11.502 9.005 ( 9.730 -0.000 17.621) 20.129 9.602 ( -3.442 0.000 -9.532) 10.134 9.937 ( -4.030 0.000 -1.138) 4.187 10.039 ( 10.009 -0.000 -6.780) 12.089 10.401 ( -5.511 0.000 3.537) 6.548 10.915 ( 10.367 -0.000 1.522) 10.478 11.708 ( -4.175 0.000 2.710) 4.977 12.209 ( 1.484 -0.000 -0.580) 1.593 12.408 ( 7.871 -0.000 -1.036) 7.938 12.644 ( 3.496 -0.000 -13.683) 14.123 12.788 ( -1.048 0.000 -3.803) 3.945 13.467 ( 3.108 -0.000 -1.860) 3.622 13.471 ( -0.088 0.000 -13.962) 13.962 13.676 ( 0.045 -0.000 7.940) 7.940 13.983 ( -5.128 0.000 -9.179) 10.514 14.006 ( -8.516 0.000 -4.923) 9.837 15.718 ( -6.992 0.000 -0.752) 7.032 16.334 ( -1.085 0.000 2.277) 2.522 16.611 ( -0.736 0.000 7.281) 7.318 16.878 ( 4.464 -0.000 4.001) 5.995 17.062 ( 0.480 -0.000 4.641) 4.666 17.388 ( 4.919 -0.000 9.675) 10.854 18.689 ( 8.598 -0.000 2.703) 9.013 20.457 ( 2.993 -0.000 1.290) 3.259 20.744 ( -1.015 0.000 6.483) 6.562 21.100 ( 0.814 -0.000 -1.703) 1.887 21.384 ( 2.945 -0.000 -3.042) 4.234 21.529 ( 7.206 -0.000 -11.757) 13.789 21.719 ( -2.576 0.000 -6.023) 6.550 22.479 ( 0.666 -0.000 -14.216) 14.231 22.610 ( -12.724 0.000 -0.002) 12.724 23.161 ( 2.452 -0.000 15.823) 16.012 23.251 ( -3.756 0.000 8.470) 9.265 24.073 ( 5.686 -0.000 3.271) 6.560 25.169 ( -5.380 0.000 14.339) 15.315 25.465 ( 7.447 -0.000 5.978) 9.550 26.226 ( 7.767 -0.000 -10.549) 13.100 26.788 ( 5.242 -0.000 -8.905) 10.334 26.927 ( -8.772 0.000 -9.453) 12.896 27.064 ( -1.112 0.000 2.434) 2.676 27.203 ( 8.561 -0.000 0.146) 8.562 27.782 ( 1.023 -0.000 -8.039) 8.104 28.196 ( -0.565 0.000 -8.227) 8.246 28.340 ( -6.322 0.000 -2.796) 6.913 28.573 ( 7.554 -0.000 -5.109) 9.120 29.177 ( 7.686 -0.000 -4.525) 8.919 29.581 ( -2.013 0.000 -6.439) 6.746 30.338 ( 4.683 -0.000 1.283) 4.856 30.524 ( -12.179 0.000 -6.009) 13.580 30.843 ( -1.283 0.000 -2.791) 3.071 31.060 ( 0.195 -0.000 2.502) 2.510 31.764 ( 0.165 -0.000 -2.969) 2.974 32.356 ( -2.412 0.000 -1.395) 2.786 32.774 ( 0.814 -0.000 7.857) 7.899 46.043 ( -1.265 0.000 11.002) 11.075 46.268 ( -5.546 0.000 7.097) 9.007 47.953 ( 1.975 -0.000 -2.204) 2.960 48.114 ( -0.018 0.000 -3.286) 3.286 48.171 ( 0.932 -0.000 -4.072) 4.178 48.592 ( 2.451 -0.000 -3.653) 4.399 48.871 ( 0.050 -0.000 -2.933) 2.934 49.488 ( -0.031 0.000 -0.010) 0.033 87.988 ( 0.459 -0.000 -0.620) 0.771 88.030 ( 1.939 -0.000 -2.238) 2.961 89.025 ( -1.435 0.000 2.396) 2.793 89.246 ( -6.200 0.000 -0.893) 6.264 89.638 ( -1.742 0.000 -8.337) 8.517 90.469 ( 29.901 -0.000 -2.924) 30.043 91.393 ( -0.861 0.000 6.707) 6.762 92.555 ( -19.684 0.000 2.714) 19.870 97.562 ( 1.154 -0.000 2.008) 2.316 97.713 ( -2.357 0.000 -1.073) 2.590 97.795 ( -2.009 0.000 3.733) 4.240 98.362 ( -5.013 0.000 2.490) 5.598 99.345 ( -0.747 0.000 -0.592) 0.953 99.517 ( 1.078 -0.000 -2.497) 2.720 99.877 ( 3.365 -0.000 -2.495) 4.189 100.143 ( 11.230 -0.000 -0.587) 11.245 ======================= Grid point 114 (57/118) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 2.324 1.432 36.462) 36.564 2.758 ( -5.115 -5.632 38.421) 39.167 2.994 ( -17.177 -3.041 14.877) 22.926 4.042 ( -10.418 8.132 1.819) 13.341 4.348 ( -4.416 -5.426 16.441) 17.868 4.724 ( -2.682 0.119 18.523) 18.717 4.918 ( -2.054 1.806 0.745) 2.835 5.102 ( -4.226 5.562 -3.693) 7.902 5.223 ( 1.040 4.976 -4.663) 6.898 5.303 ( -1.939 6.451 -0.036) 6.736 5.518 ( -8.735 -6.066 2.803) 10.998 5.535 ( 5.089 2.851 -2.816) 6.477 5.632 ( 21.426 1.893 9.047) 23.335 5.804 ( -6.224 -3.436 7.910) 10.635 5.954 ( 11.102 -2.652 7.955) 13.913 6.020 ( 5.238 -1.432 -3.099) 6.253 6.179 ( 5.781 -3.589 -9.920) 12.030 6.271 ( 2.431 -6.965 -4.728) 8.763 6.572 ( -1.425 3.177 -3.615) 5.019 6.658 ( -2.165 -2.803 -3.114) 4.716 6.832 ( -7.894 3.442 3.184) 9.182 6.974 ( -0.280 3.613 -0.041) 3.624 7.029 ( -10.526 -4.074 -9.684) 14.872 7.210 ( 5.519 -1.392 -8.412) 10.157 7.506 ( 3.436 0.733 1.412) 3.787 7.755 ( -2.149 0.648 5.080) 5.553 7.834 ( -3.731 1.331 -12.700) 13.303 8.130 ( -1.112 -0.012 -2.883) 3.090 8.183 ( 1.847 -1.139 -6.563) 6.913 8.542 ( 1.504 2.595 -3.363) 4.506 8.616 ( -7.092 -1.068 -0.438) 7.186 8.861 ( 3.208 -0.406 -3.482) 4.752 8.976 ( 7.945 -3.710 2.374) 9.084 9.307 ( 12.590 -0.114 15.497) 19.967 9.480 ( -2.132 2.446 -8.741) 9.324 9.815 ( -7.587 0.506 -8.486) 11.394 10.136 ( -0.104 -1.123 -7.560) 7.643 10.294 ( -1.495 0.895 2.051) 2.691 11.027 ( 2.730 2.144 -1.373) 3.733 11.682 ( -2.427 -1.829 4.692) 5.590 12.239 ( 1.241 -0.152 1.537) 1.981 12.526 ( 7.125 0.876 -1.879) 7.421 12.658 ( 3.713 -0.232 -12.596) 13.134 12.750 ( -0.519 -1.205 -5.285) 5.445 13.345 ( -5.300 0.951 -15.856) 16.745 13.489 ( 0.792 1.324 -2.864) 3.253 13.685 ( -0.669 0.663 2.984) 3.129 13.858 ( -0.339 1.236 -1.791) 2.202 13.914 ( -4.204 -2.267 -1.851) 5.122 15.598 ( -6.518 -0.286 0.915) 6.588 16.335 ( -1.772 -1.907 1.475) 2.992 16.638 ( -0.680 -0.535 8.097) 8.143 16.949 ( 5.329 4.797 3.939) 8.181 17.057 ( -3.278 -0.500 3.814) 5.054 17.476 ( 0.607 1.421 9.015) 9.147 18.941 ( 22.781 5.135 -2.716) 23.510 20.316 ( -19.421 -2.437 0.512) 19.580 20.807 ( 0.979 -3.816 2.846) 4.861 21.106 ( 2.956 3.466 -0.400) 4.573 21.383 ( 0.337 2.266 -3.897) 4.520 21.613 ( 7.452 3.420 -6.437) 10.424 21.721 ( 3.650 -6.268 -6.613) 9.815 22.413 ( 0.829 0.048 -12.979) 13.005 22.517 ( -7.774 -9.252 -0.247) 12.087 23.222 ( 1.759 3.364 11.962) 12.550 23.297 ( -0.219 -3.649 8.358) 9.122 24.155 ( 3.646 1.760 2.304) 4.658 25.162 ( -5.186 -2.716 12.999) 14.257 25.601 ( 7.594 4.043 4.452) 9.687 26.312 ( 7.528 1.113 -9.021) 11.802 26.733 ( -8.146 -3.132 -7.226) 11.331 26.842 ( 3.505 -1.133 -9.611) 10.293 27.081 ( 1.399 -0.322 1.394) 2.002 27.300 ( 7.214 5.671 -1.929) 9.377 27.775 ( 1.517 -1.270 -7.882) 8.127 28.153 ( 2.047 1.070 -10.350) 10.604 28.304 ( -4.237 -9.624 -3.389) 11.048 28.686 ( 6.115 -4.631 -9.241) 12.010 29.228 ( 8.734 9.723 -3.802) 13.612 29.552 ( -1.243 -0.798 -1.246) 1.932 30.280 ( -8.847 0.634 -3.289) 9.460 30.422 ( 1.828 -0.488 -0.592) 1.983 30.806 ( -0.540 0.339 -1.999) 2.098 31.111 ( 1.774 -1.279 4.394) 4.908 31.731 ( -2.710 -1.351 -3.838) 4.888 32.314 ( -2.066 -0.122 -0.526) 2.135 32.758 ( -4.321 2.298 7.652) 9.084 46.085 ( -0.660 -0.882 10.856) 10.912 46.204 ( -5.573 0.804 8.450) 10.155 47.957 ( 0.911 1.314 -3.035) 3.431 48.111 ( 1.002 -0.647 -2.631) 2.889 48.183 ( 1.409 -1.533 -4.057) 4.560 48.609 ( 1.867 0.275 -4.583) 4.956 48.858 ( -0.053 -0.179 -2.843) 2.849 49.492 ( 0.608 0.263 -0.103) 0.671 87.993 ( -0.146 -0.890 -1.165) 1.473 88.055 ( 2.825 0.928 -2.038) 3.605 89.016 ( -0.719 0.412 2.630) 2.757 89.145 ( -5.838 -0.767 0.635) 5.922 89.573 ( -1.609 0.709 -6.913) 7.133 90.803 ( 18.942 8.040 -14.277) 25.045 91.409 ( -4.288 -3.046 6.194) 8.126 92.259 ( -14.647 0.726 12.732) 19.420 97.552 ( -0.691 2.668 0.886) 2.895 97.712 ( -0.935 -3.819 -0.235) 3.938 97.803 ( 0.022 -1.183 4.592) 4.742 98.278 ( -4.272 2.625 4.362) 6.646 99.359 ( -1.197 -4.482 -0.561) 4.673 99.544 ( 0.546 -3.530 -2.679) 4.465 99.898 ( 3.002 3.341 -3.053) 5.431 100.250 ( 6.585 5.330 -4.227) 9.468 ======================= Grid point 115 (58/118) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -13.613 -2.167 19.818) 24.141 2.789 ( -17.278 -1.885 22.803) 28.672 2.940 ( 2.288 1.532 29.350) 29.479 3.658 ( -15.000 10.946 11.715) 21.955 4.388 ( -4.742 -10.642 3.681) 12.218 4.699 ( -6.127 9.166 7.684) 13.439 4.868 ( -6.764 5.725 3.799) 9.641 4.960 ( -4.946 1.307 5.473) 7.492 5.051 ( -5.205 4.670 4.219) 8.168 5.232 ( 0.522 3.511 -5.228) 6.319 5.515 ( -4.451 -6.875 4.804) 9.495 5.565 ( 0.810 -0.503 -4.013) 4.125 5.753 ( -0.566 0.544 3.447) 3.535 5.913 ( 8.095 0.372 3.070) 8.665 6.092 ( 2.156 -2.712 -6.096) 7.012 6.232 ( 6.268 -3.809 0.516) 7.353 6.407 ( 7.727 -5.183 0.034) 9.305 6.447 ( 17.053 -0.378 11.653) 20.658 6.582 ( 8.790 -0.265 -4.225) 9.756 6.627 ( -3.928 -0.303 -3.119) 5.024 6.731 ( 0.863 -2.902 -3.137) 4.360 6.876 ( -1.901 0.038 -0.113) 1.905 6.985 ( 0.189 0.504 -0.211) 0.578 7.270 ( 0.374 -5.363 -4.308) 6.889 7.571 ( 8.287 5.315 -1.205) 9.918 7.638 ( -8.613 -0.129 -9.851) 13.086 7.725 ( -3.889 1.074 -1.829) 4.430 8.098 ( 1.187 0.666 -3.972) 4.199 8.233 ( 4.880 -0.566 -3.922) 6.286 8.468 ( -8.575 -0.418 8.397) 12.009 8.562 ( 3.330 2.608 -9.380) 10.289 8.917 ( 2.505 -0.305 0.862) 2.667 9.194 ( 8.938 -1.913 -0.321) 9.146 9.327 ( -0.675 -0.148 -4.473) 4.526 9.584 ( -8.165 -1.135 -11.046) 13.782 9.650 ( 8.707 1.685 12.838) 15.604 9.999 ( -9.799 0.606 1.991) 10.017 10.393 ( 9.800 -2.055 -9.832) 14.033 10.925 ( -9.161 1.397 -7.336) 11.819 11.703 ( 0.273 -0.867 3.566) 3.680 12.261 ( -1.822 -2.605 2.160) 3.843 12.569 ( 2.047 2.837 -3.934) 5.264 12.621 ( -0.053 1.487 -9.840) 9.951 12.787 ( 4.207 -2.429 -5.500) 7.338 13.200 ( -0.919 2.076 -10.793) 11.029 13.441 ( -3.211 -0.974 -3.048) 4.533 13.679 ( -0.187 0.941 1.092) 1.454 13.871 ( -0.085 -0.076 1.155) 1.161 13.944 ( 5.389 -3.177 -2.178) 6.623 15.549 ( -1.809 -1.484 4.689) 5.240 16.331 ( -2.289 -1.938 0.996) 3.160 16.677 ( -0.588 -1.548 6.657) 6.860 16.948 ( 0.373 5.985 2.573) 6.526 17.018 ( -1.757 2.183 4.597) 5.384 17.478 ( -0.603 2.980 7.211) 7.826 19.234 ( 25.596 9.964 -3.119) 27.644 19.942 ( -29.657 -4.088 0.071) 29.937 20.880 ( 0.362 -5.556 -2.809) 6.236 21.090 ( 2.295 5.155 -2.268) 6.081 21.346 ( 1.410 2.244 -1.478) 3.035 21.654 ( 4.961 1.963 -4.969) 7.291 21.828 ( 1.134 -6.605 -8.761) 11.031 22.401 ( 4.139 -0.263 -12.245) 12.928 22.544 ( -4.693 -7.779 8.507) 12.447 23.259 ( 1.996 5.259 11.723) 13.002 23.400 ( 2.947 -5.551 2.543) 6.780 24.154 ( 0.441 5.196 -0.258) 5.221 25.174 ( -5.230 -3.244 11.081) 12.676 25.642 ( 3.439 6.738 5.503) 9.355 26.312 ( 0.794 2.821 -9.829) 10.257 26.693 ( -1.547 -6.709 -4.561) 8.258 26.856 ( 4.011 2.040 -10.411) 11.341 27.136 ( 2.246 -3.033 0.203) 3.780 27.269 ( 3.714 10.138 -5.409) 12.076 27.782 ( 1.727 -1.147 -7.414) 7.699 28.150 ( 3.876 -0.349 -10.992) 11.661 28.396 ( -2.164 -14.678 -4.013) 15.370 28.787 ( 1.098 -8.242 -12.209) 14.771 29.183 ( 4.864 14.095 -2.457) 15.112 29.532 ( 1.579 2.231 3.155) 4.175 30.216 ( -1.067 -4.417 -0.773) 4.610 30.408 ( -1.596 1.714 -2.622) 3.516 30.828 ( 4.230 -0.322 -2.123) 4.744 31.176 ( 2.178 0.455 7.811) 8.121 31.680 ( -3.992 -2.868 -6.580) 8.213 32.290 ( -0.996 -0.082 1.571) 1.861 32.678 ( -5.862 1.971 9.423) 11.271 46.116 ( -3.754 0.736 10.063) 10.765 46.170 ( -1.810 -1.549 9.556) 9.849 47.931 ( 0.418 1.617 -3.177) 3.589 48.129 ( 1.103 -0.813 -2.873) 3.183 48.213 ( 1.930 -1.467 -4.186) 4.837 48.607 ( 0.275 -0.827 -5.013) 5.088 48.851 ( 0.218 -0.588 -2.418) 2.498 49.497 ( 1.112 1.052 -0.411) 1.585 87.993 ( -0.471 -1.046 -1.959) 2.270 88.074 ( 2.908 2.332 -1.877) 4.174 89.019 ( -0.226 0.023 4.375) 4.381 89.085 ( -4.143 -1.872 1.784) 4.884 89.510 ( -0.578 1.604 -3.941) 4.294 90.720 ( -0.309 15.919 -15.511) 22.228 91.402 ( -2.549 -1.886 6.247) 7.006 92.250 ( -2.809 -9.708 14.462) 17.644 97.511 ( -0.409 2.340 0.604) 2.451 97.735 ( -1.896 -3.098 0.621) 3.685 97.877 ( 1.960 -3.437 4.780) 6.205 98.210 ( -2.644 2.146 5.749) 6.682 99.401 ( -2.059 -6.309 -0.488) 6.654 99.593 ( 0.691 -4.092 -2.458) 4.823 99.854 ( 0.945 6.051 -4.260) 7.460 100.198 ( 4.112 11.584 -6.654) 13.978 ======================= Grid point 116 (59/118) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -25.260 8.576 17.892) 32.120 2.480 ( -18.134 1.671 18.152) 25.712 3.099 ( 8.415 7.304 24.707) 27.104 3.642 ( 6.076 -3.023 25.920) 26.794 4.368 ( -6.744 8.161 -1.638) 10.712 4.495 ( -14.694 4.622 11.192) 19.040 4.675 ( -8.385 -9.690 8.590) 15.427 4.879 ( -5.205 0.445 12.940) 13.954 5.028 ( -0.303 -0.431 -3.419) 3.459 5.214 ( 7.040 6.031 -0.506) 9.284 5.520 ( -7.433 -6.805 4.507) 11.039 5.550 ( -0.500 1.350 -2.776) 3.127 5.803 ( 1.703 -4.539 -3.235) 5.828 5.969 ( 0.716 2.298 -0.630) 2.488 6.093 ( -3.497 -0.992 0.508) 3.670 6.319 ( -3.150 -4.514 5.179) 7.558 6.468 ( -0.303 2.441 -8.680) 9.021 6.545 ( 1.670 -3.533 -5.799) 6.992 6.720 ( 3.429 1.088 -4.419) 5.698 6.752 ( 14.627 -0.400 -1.833) 14.747 6.798 ( 6.734 -2.863 1.199) 7.415 6.907 ( -4.588 -1.026 -8.824) 9.998 7.153 ( 12.725 -2.840 6.364) 14.508 7.286 ( -0.261 -1.352 0.833) 1.609 7.498 ( -4.361 5.633 -4.619) 8.490 7.526 ( -1.769 -3.231 -3.040) 4.777 7.784 ( 12.504 0.773 0.657) 12.545 8.091 ( 1.638 1.220 -5.598) 5.959 8.275 ( 1.217 2.007 -2.481) 3.415 8.410 ( -3.976 -0.940 11.121) 11.848 8.555 ( 3.549 1.954 -5.595) 6.908 8.919 ( -1.725 2.044 0.528) 2.726 9.217 ( 5.090 2.843 -8.991) 10.716 9.352 ( -9.731 -1.786 -14.429) 17.495 9.478 ( 4.262 -8.936 1.831) 10.068 9.858 ( 6.128 2.350 13.537) 15.044 9.870 ( -4.643 0.510 4.294) 6.344 10.529 ( 7.853 -2.747 -11.901) 14.521 10.659 ( -14.474 -0.140 -10.835) 18.081 11.742 ( 3.387 1.205 1.087) 3.756 12.261 ( -4.480 -4.576 0.252) 6.410 12.505 ( -4.212 3.316 -9.921) 11.276 12.557 ( 2.135 0.833 -0.763) 2.415 12.859 ( 4.231 -0.106 -6.116) 7.437 13.180 ( 5.307 1.241 -3.022) 6.232 13.418 ( -1.214 -3.205 -1.252) 3.649 13.644 ( -2.281 1.379 -0.793) 2.781 13.897 ( 1.313 -1.882 0.239) 2.307 14.069 ( 5.431 -2.602 -3.286) 6.860 15.620 ( 3.514 -2.148 7.210) 8.304 16.323 ( -1.751 -1.487 1.460) 2.722 16.702 ( -1.978 -1.385 1.960) 3.110 16.856 ( -4.358 3.822 5.214) 7.797 16.982 ( 0.809 5.598 4.338) 7.128 17.457 ( -0.159 3.869 4.554) 5.978 19.442 ( -19.417 -1.359 -1.495) 19.522 19.554 ( 13.366 6.872 0.347) 15.033 20.915 ( 0.735 0.727 -2.596) 2.794 21.051 ( -0.142 -1.073 -6.590) 6.678 21.360 ( 3.374 1.983 -0.196) 3.919 21.659 ( 2.662 3.329 -8.143) 9.191 21.841 ( -4.120 -7.128 -9.377) 12.478 22.443 ( 5.981 -0.613 -8.587) 10.483 22.631 ( -1.667 -5.249 15.041) 16.017 23.251 ( 0.751 8.032 11.614) 14.141 23.554 ( 5.610 -5.548 -0.292) 7.895 24.014 ( -4.401 10.393 -3.527) 11.824 25.169 ( -5.398 -2.338 10.224) 11.795 25.607 ( -1.020 6.553 6.851) 9.535 26.220 ( -1.494 0.846 -12.417) 12.535 26.763 ( 3.355 -3.422 -2.654) 5.478 26.825 ( 3.052 3.818 -10.401) 11.492 27.150 ( 0.971 8.532 -5.173) 10.025 27.220 ( 1.634 -4.192 -2.214) 5.015 27.801 ( 2.537 -1.162 -6.626) 7.190 28.182 ( 4.475 -0.972 -9.161) 10.242 28.530 ( -2.070 -12.162 -4.377) 13.090 28.803 ( -5.222 -8.713 -10.724) 14.771 29.008 ( 0.237 15.445 -2.287) 15.615 29.615 ( 6.383 -1.097 1.155) 6.579 30.281 ( 1.308 -0.425 -0.937) 1.664 30.350 ( -0.499 -2.327 -0.943) 2.559 30.909 ( 6.879 0.847 -4.889) 8.482 31.254 ( 2.731 1.050 12.043) 12.394 31.603 ( -4.568 -2.526 -9.449) 10.795 32.309 ( 1.363 -0.499 4.063) 4.315 32.613 ( -5.387 0.597 10.057) 11.425 46.071 ( -4.512 1.391 10.254) 11.288 46.233 ( -0.586 -3.020 8.847) 9.366 47.910 ( 0.789 1.016 -2.797) 3.078 48.137 ( 0.565 -0.599 -3.400) 3.498 48.236 ( 1.876 0.126 -4.391) 4.776 48.595 ( -1.146 -2.213 -5.323) 5.877 48.860 ( 0.751 -0.998 -1.992) 2.351 49.496 ( 1.119 1.589 -0.460) 1.997 87.988 ( -0.297 -0.831 -2.450) 2.604 88.070 ( 2.063 3.436 -1.893) 4.433 89.059 ( -1.313 -2.177 4.791) 5.424 89.069 ( 0.675 -0.925 5.116) 5.242 89.496 ( 2.280 0.487 -0.371) 2.360 90.363 ( -8.226 15.300 -11.277) 20.711 91.420 ( 0.514 1.469 5.005) 5.242 92.459 ( -1.049 -16.438 10.399) 19.479 97.489 ( 0.387 1.424 0.841) 1.698 97.743 ( -1.817 -2.381 1.537) 3.366 97.953 ( -0.104 -1.143 3.408) 3.596 98.213 ( -0.104 -2.755 6.662) 7.210 99.449 ( -1.819 -6.447 0.359) 6.709 99.632 ( 1.142 1.681 -0.662) 2.137 99.751 ( -1.214 3.181 -6.284) 7.147 100.057 ( 4.503 15.195 -7.845) 17.683 ======================= Grid point 117 (60/118) ======================= q-point: (-0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -8.433 10.126 32.794) 35.343 2.291 ( -12.857 2.959 27.949) 30.906 3.236 ( 8.537 11.459 19.602) 24.258 3.953 ( 5.461 -3.166 20.882) 21.815 4.096 ( -14.323 4.575 11.795) 19.111 4.316 ( 0.851 1.512 13.918) 14.026 4.847 ( -0.588 -14.347 6.338) 15.696 4.890 ( -1.999 -4.535 7.279) 8.806 5.021 ( -1.175 -1.396 3.874) 4.282 5.262 ( 7.243 8.640 3.281) 11.742 5.504 ( -8.208 -7.173 6.579) 12.732 5.509 ( 1.111 0.454 -8.434) 8.519 5.814 ( -2.743 -1.584 -10.640) 11.101 5.916 ( -0.379 4.552 -1.425) 4.785 6.000 ( -7.784 2.146 6.362) 10.279 6.261 ( -6.734 -4.373 -7.238) 10.810 6.489 ( -3.737 -2.225 -0.301) 4.359 6.538 ( 0.052 -0.744 -0.429) 0.860 6.698 ( -6.594 2.866 -7.697) 10.533 6.755 ( 6.073 0.131 -8.724) 10.630 6.865 ( 0.098 2.135 -4.498) 4.980 7.014 ( 10.986 -1.054 -8.973) 14.224 7.227 ( 0.438 -4.474 -0.379) 4.512 7.314 ( -2.804 0.366 -7.096) 7.638 7.391 ( 0.423 -2.096 -4.658) 5.125 7.659 ( 9.110 2.564 11.031) 14.534 7.964 ( 6.664 1.522 -3.645) 7.747 8.078 ( -1.478 -0.671 0.025) 1.623 8.252 ( 4.885 2.632 -3.443) 6.530 8.419 ( -0.305 0.899 8.365) 8.419 8.567 ( 1.994 1.119 -1.785) 2.901 8.865 ( -0.287 2.046 0.637) 2.162 9.168 ( -7.742 -2.972 -9.150) 12.349 9.248 ( 0.284 -1.215 -12.845) 12.905 9.625 ( 0.779 -7.693 -4.109) 8.756 9.834 ( 1.107 0.260 2.702) 2.932 9.953 ( 1.213 2.983 10.514) 10.996 10.391 ( -5.982 0.719 -8.970) 10.806 10.655 ( 5.616 -2.743 -5.849) 8.560 11.786 ( 3.731 2.341 -0.657) 4.453 12.235 ( -4.301 -3.652 -1.871) 5.945 12.351 ( -3.353 2.426 -7.171) 8.279 12.609 ( 2.926 -1.488 -0.418) 3.309 12.859 ( 2.158 2.990 -6.687) 7.636 13.298 ( 5.944 -3.506 0.326) 6.909 13.473 ( 4.197 -1.119 2.065) 4.809 13.579 ( -1.301 1.123 -4.702) 5.006 13.962 ( 0.202 -6.112 1.149) 6.222 14.139 ( 2.160 -1.272 -5.303) 5.866 15.746 ( 3.920 -1.174 5.986) 7.251 16.332 ( -0.099 -0.863 2.602) 2.743 16.648 ( -4.156 0.199 -1.327) 4.367 16.792 ( -2.573 2.077 6.724) 7.493 16.956 ( 2.254 5.263 6.290) 8.506 17.404 ( -1.709 4.210 1.569) 4.807 19.003 ( -28.104 -3.520 2.602) 28.443 19.867 ( 26.175 6.732 1.982) 27.099 20.864 ( 0.080 5.653 -0.826) 5.714 21.062 ( -1.248 -6.615 -7.547) 10.113 21.383 ( 3.412 3.638 -0.782) 5.049 21.584 ( 0.105 3.326 -11.194) 11.678 21.817 ( -3.942 -5.767 -7.385) 10.165 22.509 ( 4.884 -1.211 -11.308) 12.377 22.764 ( 0.076 -5.029 20.069) 20.690 23.178 ( -1.322 10.924 9.670) 14.649 23.621 ( -6.529 6.481 -3.105) 9.709 23.812 ( 3.384 2.820 -0.196) 4.409 25.164 ( -4.571 -2.619 11.329) 12.494 25.495 ( -4.831 7.340 6.742) 11.075 26.160 ( 2.250 -0.202 -13.027) 13.222 26.762 ( 2.413 3.414 -9.384) 10.273 26.885 ( 6.490 -2.959 -2.532) 7.568 27.061 ( 1.123 4.979 -2.099) 5.519 27.249 ( -2.610 -2.646 -3.474) 5.088 27.820 ( 2.331 -0.271 -8.176) 8.506 28.236 ( 3.220 -2.230 -6.107) 7.255 28.531 ( -4.732 -1.290 -4.217) 6.468 28.735 ( -5.168 4.543 -6.614) 9.544 28.899 ( 1.897 -3.647 -2.379) 4.750 29.705 ( 3.123 -0.442 -6.556) 7.275 30.248 ( -0.372 0.769 -1.649) 1.857 30.471 ( 4.083 -6.549 2.174) 8.018 30.957 ( 5.085 4.056 -5.882) 8.770 31.271 ( -7.074 0.141 3.393) 7.847 31.593 ( 6.161 -1.508 -2.833) 6.947 32.375 ( 2.742 -0.943 2.169) 3.621 32.585 ( -3.312 -0.504 12.443) 12.886 46.036 ( -3.474 1.130 10.661) 11.270 46.293 ( -1.714 -3.011 7.234) 8.021 47.908 ( 1.406 0.294 -2.347) 2.752 48.134 ( 0.238 -0.582 -3.648) 3.702 48.228 ( 1.129 1.818 -4.447) 4.935 48.579 ( -1.343 -2.321 -4.903) 5.588 48.876 ( 0.781 -0.743 -2.178) 2.430 49.492 ( 0.822 1.184 -0.241) 1.461 87.984 ( 0.325 -0.384 -2.435) 2.486 88.042 ( 0.921 3.138 -1.575) 3.630 89.052 ( -2.594 -1.566 2.389) 3.858 89.203 ( 5.107 -3.809 7.449) 9.802 89.596 ( 9.997 -0.620 4.581) 11.014 90.003 ( -7.908 11.396 -9.236) 16.664 91.417 ( 0.435 3.787 5.182) 6.433 92.682 ( -4.559 -17.879 5.130) 19.151 97.494 ( 1.101 0.515 1.271) 1.759 97.750 ( -1.896 -2.220 1.714) 3.385 97.930 ( -2.462 2.592 2.389) 4.300 98.316 ( 0.044 -6.945 5.053) 8.589 99.512 ( 0.516 -3.689 0.868) 3.824 99.528 ( -1.414 8.982 -1.442) 9.206 99.750 ( 2.087 -2.731 -4.132) 5.375 99.920 ( 5.821 12.368 -5.710) 14.814 ======================= Grid point 118 (61/118) ======================= q-point: (-0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.604 2.294 39.624) 39.695 2.275 ( 4.134 3.740 39.260) 39.653 3.234 ( -2.196 8.142 15.006) 17.213 3.914 ( -8.386 6.663 40.731) 42.116 4.102 ( 2.629 -3.493 2.709) 5.143 4.635 ( 17.486 -6.374 13.289) 22.869 4.935 ( -1.960 -6.077 1.826) 6.642 5.023 ( -0.943 -3.228 10.581) 11.103 5.107 ( 4.770 -4.936 3.573) 7.739 5.226 ( -0.754 6.251 5.504) 8.363 5.479 ( -1.898 -1.686 -7.935) 8.331 5.505 ( -5.170 -5.635 2.283) 7.981 5.714 ( -2.851 1.865 -7.266) 8.025 5.796 ( -4.644 4.416 -3.345) 7.229 5.896 ( -1.203 2.393 -0.042) 2.679 6.171 ( -5.642 -3.567 -6.069) 9.021 6.344 ( -12.633 2.183 3.964) 13.419 6.411 ( -3.299 6.915 -14.046) 15.999 6.689 ( -1.751 -2.583 0.125) 3.123 6.790 ( 7.632 -0.428 -10.299) 12.826 6.872 ( 1.539 -2.584 -3.342) 4.496 6.982 ( -4.040 3.055 -6.948) 8.598 7.188 ( -7.788 -2.793 0.331) 8.280 7.348 ( 3.324 -3.581 -2.477) 5.477 7.441 ( 3.554 2.070 -7.740) 8.765 7.796 ( 7.756 -0.800 -2.294) 8.127 7.961 ( 2.665 3.134 -4.362) 5.996 7.993 ( -6.488 1.337 2.884) 7.225 8.280 ( -1.223 -0.372 -4.100) 4.295 8.541 ( 5.616 -1.841 1.331) 6.058 8.600 ( 9.733 2.651 4.190) 10.923 8.856 ( -0.879 -0.099 2.370) 2.530 9.018 ( -8.739 1.058 0.316) 8.808 9.101 ( -10.420 -1.329 -18.941) 21.659 9.661 ( -1.744 -4.165 -8.430) 9.563 9.905 ( 6.194 -0.427 -1.158) 6.316 9.973 ( 0.220 1.631 7.163) 7.349 10.380 ( 5.404 0.454 -1.039) 5.522 10.757 ( 5.548 -2.180 -0.713) 6.004 11.773 ( -1.678 2.026 -0.208) 2.639 12.207 ( -1.663 -1.556 -2.119) 3.111 12.311 ( 3.934 0.493 -3.079) 5.020 12.652 ( 2.801 -0.317 -8.772) 9.214 12.819 ( 0.329 1.931 -3.527) 4.035 13.410 ( 2.122 -3.961 -2.350) 5.071 13.516 ( 1.889 1.804 -8.842) 9.220 13.603 ( 4.064 -0.103 7.062) 8.148 14.042 ( -2.915 -7.326 -4.795) 9.228 14.128 ( -1.568 -0.376 -5.986) 6.200 15.795 ( -1.885 -0.369 1.861) 2.675 16.348 ( -0.057 1.284 2.791) 3.073 16.600 ( -1.463 -0.005 3.104) 3.432 16.789 ( 1.089 -1.328 4.185) 4.524 16.994 ( 4.884 3.476 8.552) 10.443 17.333 ( -1.296 2.491 3.655) 4.609 18.698 ( -13.638 -1.820 6.206) 15.093 20.226 ( 21.388 2.716 4.050) 21.937 20.788 ( -1.998 3.460 1.225) 4.179 21.090 ( -1.028 -4.485 -4.534) 6.460 21.370 ( 2.960 4.114 -2.718) 5.751 21.518 ( 1.367 0.191 -11.131) 11.217 21.783 ( -2.881 -2.515 -6.971) 7.952 22.517 ( 1.719 -0.698 -12.886) 13.019 22.863 ( -7.507 4.072 9.489) 12.766 23.044 ( 0.067 3.841 11.675) 12.291 23.353 ( -8.522 5.546 4.096) 10.962 23.942 ( 7.361 -1.097 2.840) 7.966 25.185 ( -3.786 -0.872 13.839) 14.374 25.385 ( -1.121 3.426 6.874) 7.762 26.170 ( 5.664 0.372 -12.207) 13.462 26.747 ( 3.918 0.317 -8.528) 9.390 27.010 ( 5.406 1.387 -7.820) 9.607 27.055 ( 4.292 -1.171 4.160) 6.091 27.161 ( -8.103 -0.573 -3.454) 8.827 27.807 ( 1.335 0.558 -8.628) 8.748 28.245 ( -2.607 -2.462 -6.564) 7.479 28.486 ( 1.891 2.169 -2.830) 4.036 28.528 ( -3.626 7.427 -3.867) 9.124 29.034 ( 4.523 -7.880 -3.330) 9.677 29.667 ( -0.778 2.177 -9.646) 9.919 30.263 ( 2.534 -0.710 0.380) 2.659 30.612 ( -0.435 -7.094 -1.099) 7.192 30.908 ( -0.644 4.992 -4.746) 6.918 31.120 ( -7.038 1.186 -1.047) 7.213 31.725 ( 6.124 -0.538 -1.729) 6.386 32.397 ( -1.171 -0.217 -1.767) 2.131 32.666 ( 3.127 -1.889 12.968) 13.473 46.026 ( -2.270 0.694 10.901) 11.156 46.309 ( -3.958 -1.699 6.222) 7.567 47.926 ( 1.947 -0.219 -2.016) 2.811 48.128 ( 0.033 -0.570 -3.614) 3.658 48.193 ( 0.543 1.994 -4.307) 4.777 48.574 ( 0.595 -1.164 -3.616) 3.845 48.880 ( 0.374 -0.154 -2.662) 2.692 49.490 ( 0.195 0.368 -0.122) 0.434 87.985 ( 0.878 0.497 -1.436) 1.755 88.020 ( 0.792 0.880 -1.704) 2.075 89.039 ( -2.124 -0.775 2.505) 3.375 89.309 ( -1.973 -3.409 0.347) 3.954 89.746 ( -3.985 4.990 -9.274) 11.260 89.948 ( 25.910 -1.662 8.342) 27.270 91.395 ( -0.162 3.419 6.092) 6.988 92.756 ( -12.255 -11.278 0.145) 16.655 97.523 ( 1.570 -0.333 1.802) 2.413 97.749 ( -2.273 -1.741 0.644) 2.935 97.849 ( -3.191 3.406 2.319) 5.211 98.392 ( -3.100 -5.017 2.311) 6.334 99.400 ( -1.006 5.677 -1.213) 5.892 99.533 ( 1.340 2.854 -1.989) 3.728 99.817 ( 3.162 -2.497 -2.302) 4.640 99.948 ( 10.686 2.093 0.374) 10.895 ======================= Grid point 120 (62/118) ======================= q-point: ( 0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -15.404 0.000 16.123) 22.299 2.736 ( -10.641 0.000 32.957) 34.632 2.976 ( 4.306 -0.000 30.152) 30.457 3.985 ( -23.814 0.000 11.118) 26.282 4.033 ( -4.247 0.000 1.508) 4.507 4.899 ( -0.831 0.000 24.511) 24.525 4.929 ( -0.202 0.000 1.204) 1.221 5.037 ( -4.247 0.000 -3.695) 5.629 5.171 ( -15.895 0.000 14.370) 21.428 5.214 ( -3.370 0.000 -12.175) 12.633 5.380 ( 2.169 -0.000 -5.443) 5.859 5.568 ( 1.445 -0.000 -5.283) 5.477 5.745 ( -8.631 0.000 7.076) 11.160 5.978 ( 12.658 -0.000 -0.240) 12.660 6.047 ( 1.104 -0.000 -5.662) 5.769 6.137 ( 4.106 -0.000 -9.143) 10.023 6.305 ( 4.601 -0.000 -0.784) 4.667 6.394 ( 26.279 -0.000 17.752) 31.713 6.594 ( 6.820 -0.000 -5.831) 8.973 6.642 ( 3.835 -0.000 -1.677) 4.186 6.793 ( -4.485 0.000 4.925) 6.661 6.804 ( -0.480 0.000 -1.938) 1.997 7.014 ( -1.169 0.000 2.125) 2.426 7.167 ( -3.140 0.000 -6.476) 7.197 7.636 ( 10.678 -0.000 -1.243) 10.751 7.641 ( -12.306 0.000 -12.794) 17.751 7.767 ( -0.645 0.000 0.228) 0.684 8.088 ( -2.331 0.000 -1.761) 2.922 8.217 ( 7.184 -0.000 -3.952) 8.199 8.464 ( -9.876 0.000 6.369) 11.751 8.599 ( 4.209 -0.000 -8.911) 9.855 8.910 ( 2.721 -0.000 1.204) 2.976 9.114 ( 9.234 -0.000 3.200) 9.772 9.411 ( -0.773 0.000 -11.321) 11.348 9.536 ( -0.577 0.000 -1.189) 1.322 9.684 ( 2.117 -0.000 4.511) 4.983 10.004 ( -9.690 0.000 1.114) 9.754 10.365 ( 9.010 -0.000 -9.752) 13.277 10.952 ( -10.820 0.000 -6.955) 12.862 11.684 ( 1.077 -0.000 5.970) 6.067 12.230 ( -2.548 0.000 0.586) 2.615 12.604 ( 2.550 -0.000 -4.123) 4.848 12.689 ( -0.825 0.000 -5.246) 5.310 12.698 ( 5.556 -0.000 -11.914) 13.145 13.228 ( -0.988 0.000 -9.447) 9.499 13.433 ( -4.804 0.000 -5.209) 7.086 13.712 ( 1.355 -0.000 0.763) 1.555 13.867 ( -0.914 0.000 3.431) 3.551 13.885 ( 4.791 -0.000 -2.601) 5.451 15.530 ( -2.165 0.000 4.106) 4.642 16.306 ( -1.348 0.000 1.843) 2.284 16.655 ( -1.011 0.000 7.128) 7.200 16.997 ( -5.562 0.000 3.741) 6.703 17.098 ( 6.085 -0.000 2.204) 6.471 17.501 ( -2.785 0.000 7.777) 8.261 19.389 ( 27.334 -0.000 -5.416) 27.866 19.884 ( -29.920 0.000 0.931) 29.935 20.769 ( -1.390 0.000 -1.954) 2.398 21.210 ( 5.739 -0.000 0.851) 5.801 21.390 ( 0.358 -0.000 -6.411) 6.421 21.603 ( -2.544 0.000 -2.939) 3.887 21.796 ( 7.459 -0.000 -6.433) 9.850 22.392 ( 3.799 -0.000 -17.237) 17.651 22.417 ( 0.477 -0.000 10.719) 10.730 23.301 ( 2.935 -0.000 5.079) 5.866 23.351 ( 1.166 -0.000 12.286) 12.341 24.224 ( 2.468 -0.000 -0.462) 2.511 25.111 ( -5.798 0.000 13.016) 14.249 25.774 ( 6.521 -0.000 2.388) 6.944 26.424 ( 8.314 -0.000 -8.525) 11.908 26.494 ( -10.035 0.000 -7.614) 12.597 26.880 ( 5.327 -0.000 -9.907) 11.248 27.122 ( 2.411 -0.000 2.525) 3.491 27.439 ( 5.037 -0.000 -3.382) 6.067 27.758 ( 1.828 -0.000 -8.000) 8.206 28.113 ( -0.580 0.000 -12.712) 12.725 28.183 ( -1.368 0.000 -0.054) 1.369 28.669 ( 2.455 -0.000 -13.212) 13.438 29.434 ( 10.266 -0.000 -8.458) 13.301 29.560 ( 0.816 -0.000 3.932) 4.015 30.093 ( -8.292 0.000 1.667) 8.458 30.445 ( -0.805 0.000 -2.916) 3.025 30.828 ( 4.637 -0.000 -2.155) 5.113 31.177 ( 2.969 -0.000 8.438) 8.945 31.639 ( -4.128 0.000 -5.590) 6.949 32.289 ( -0.591 0.000 0.015) 0.591 32.711 ( -6.807 0.000 8.458) 10.857 46.118 ( -0.621 0.000 10.497) 10.515 46.157 ( -5.479 0.000 9.319) 10.810 47.957 ( -0.100 0.000 -3.701) 3.702 48.120 ( 1.814 -0.000 -2.348) 2.967 48.186 ( 2.231 -0.000 -3.579) 4.218 48.597 ( -0.382 0.000 -5.517) 5.531 48.842 ( -0.053 0.000 -2.553) 2.553 49.512 ( 1.492 -0.000 -0.310) 1.524 87.978 ( -0.235 0.000 -1.589) 1.606 88.106 ( 3.370 -0.000 -1.938) 3.888 89.025 ( 0.017 -0.000 2.960) 2.960 89.053 ( -4.831 0.000 2.519) 5.449 89.539 ( 0.135 -0.000 -5.863) 5.864 90.936 ( -2.351 0.000 -18.451) 18.600 91.376 ( 1.424 -0.000 5.913) 6.082 92.129 ( -7.642 0.000 15.964) 17.699 97.546 ( -2.465 0.000 0.508) 2.517 97.689 ( 1.249 -0.000 0.323) 1.290 97.831 ( 1.379 -0.000 5.148) 5.330 98.249 ( -3.692 0.000 5.117) 6.310 99.305 ( -1.715 0.000 -0.204) 1.727 99.513 ( 0.236 -0.000 -2.643) 2.653 99.942 ( 1.240 -0.000 -3.450) 3.666 100.368 ( 5.533 -0.000 -5.819) 8.029 ======================= Grid point 121 (63/118) ======================= q-point: ( 0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -12.967 -0.734 13.351) 18.626 2.638 ( -15.110 3.108 22.149) 26.992 3.200 ( 6.969 1.292 25.673) 26.633 3.704 ( -3.704 8.100 21.455) 23.231 4.122 ( -5.473 -16.648 7.103) 18.909 4.716 ( -20.110 8.790 20.418) 29.976 4.817 ( -8.616 11.037 7.787) 16.022 4.942 ( -1.088 3.185 0.602) 3.419 5.062 ( -2.631 2.393 -8.543) 9.254 5.208 ( 0.486 -6.932 -3.260) 7.676 5.409 ( -0.750 -1.065 1.581) 2.048 5.568 ( 0.726 -0.407 -3.960) 4.047 5.625 ( -7.200 -6.413 3.964) 10.425 6.005 ( -1.553 0.162 -4.157) 4.441 6.132 ( 6.823 2.527 1.973) 7.538 6.201 ( 2.106 -1.473 -1.695) 3.078 6.350 ( -1.743 -6.421 -2.840) 7.234 6.633 ( 1.330 3.689 -5.489) 6.746 6.692 ( 3.524 -1.424 -5.527) 6.708 6.727 ( 14.266 0.791 -8.272) 16.510 6.806 ( -0.164 -3.741 -1.823) 4.165 6.926 ( 3.322 7.228 5.882) 9.893 7.089 ( 8.272 -0.836 3.790) 9.137 7.211 ( 8.553 -6.123 9.955) 14.483 7.392 ( -8.609 -3.657 -5.816) 11.014 7.667 ( -4.607 3.865 -5.645) 8.248 7.829 ( 12.459 2.634 -1.184) 12.789 8.069 ( -0.512 -2.030 -2.425) 3.204 8.324 ( 1.608 1.302 -3.806) 4.331 8.372 ( -1.431 -1.405 13.112) 13.265 8.603 ( 2.606 1.397 -9.374) 9.830 8.940 ( -0.526 0.068 2.977) 3.024 9.286 ( 5.556 -3.538 3.478) 7.449 9.310 ( -5.106 2.690 -13.486) 14.669 9.358 ( -4.776 0.354 -14.196) 14.982 9.877 ( 2.942 0.231 11.666) 12.034 9.886 ( -0.162 -0.008 6.610) 6.612 10.470 ( 8.114 -1.392 -13.014) 15.399 10.667 ( -15.411 0.428 -9.317) 18.013 11.756 ( 4.217 0.019 3.967) 5.790 12.182 ( -3.794 -1.446 -0.167) 4.064 12.571 ( -1.965 1.256 -6.389) 6.802 12.619 ( 0.071 3.793 -7.392) 8.309 12.773 ( 3.711 -4.976 -8.921) 10.868 13.219 ( 3.152 1.096 -2.714) 4.301 13.357 ( -2.186 -1.300 -0.651) 2.625 13.700 ( -1.383 2.334 0.385) 2.740 13.881 ( 1.476 0.252 -0.830) 1.712 13.989 ( 5.621 -2.966 -2.946) 7.005 15.576 ( 3.636 -0.960 7.203) 8.126 16.301 ( -0.617 -0.331 2.078) 2.193 16.668 ( -1.688 -0.898 4.103) 4.526 16.907 ( -6.797 0.651 5.845) 8.988 17.155 ( 4.128 5.715 0.376) 7.060 17.482 ( -3.558 -1.160 5.333) 6.515 19.371 ( -32.484 -1.953 0.658) 32.550 19.771 ( 26.087 6.370 -3.445) 27.073 20.768 ( -1.010 -5.339 -4.517) 7.066 21.233 ( 3.131 9.106 -2.474) 9.942 21.384 ( 2.754 -0.892 -1.747) 3.381 21.594 ( -2.962 -6.986 -3.187) 8.230 21.818 ( 2.558 3.841 -8.444) 9.623 22.403 ( 5.865 -1.855 -17.071) 18.146 22.536 ( 1.573 -2.086 18.667) 18.849 23.385 ( 1.942 2.581 8.078) 8.699 23.433 ( 5.317 -2.918 4.318) 7.446 24.215 ( 0.617 4.246 -5.422) 6.914 25.087 ( -6.335 -2.458 12.185) 13.951 25.820 ( 3.027 6.974 3.722) 8.465 26.277 ( -5.139 3.565 -9.207) 11.131 26.575 ( 4.119 -8.547 -7.683) 12.209 26.906 ( 4.554 1.863 -10.487) 11.584 27.178 ( 2.788 0.559 3.466) 4.483 27.405 ( 1.068 8.179 -8.136) 11.586 27.765 ( 2.117 -1.676 -7.617) 8.082 28.072 ( -1.484 -5.158 -8.578) 10.119 28.249 ( 2.475 -7.506 0.713) 7.936 28.649 ( -0.404 -2.680 -11.704) 12.014 29.422 ( 3.302 14.131 -8.544) 16.840 29.591 ( 2.615 -1.172 -0.078) 2.866 30.111 ( -0.338 -8.752 6.704) 11.030 30.370 ( -4.077 1.238 -3.812) 5.717 30.927 ( 8.698 0.505 -5.084) 10.087 31.268 ( 1.930 0.155 11.167) 11.334 31.551 ( -3.020 -1.187 -8.459) 9.060 32.301 ( 1.643 -0.132 1.573) 2.278 32.634 ( -6.594 0.704 10.230) 12.191 46.106 ( -4.583 1.167 10.277) 11.313 46.165 ( -1.335 -1.881 9.749) 10.018 47.931 ( -0.227 0.484 -3.615) 3.654 48.136 ( 1.620 0.409 -2.790) 3.252 48.222 ( 3.074 -0.894 -3.522) 4.760 48.557 ( -1.755 -0.678 -5.190) 5.520 48.837 ( 0.295 -0.586 -2.004) 2.109 49.529 ( 1.349 0.765 -0.886) 1.787 87.969 ( -0.172 -0.452 -1.987) 2.045 88.138 ( 2.609 1.501 -2.458) 3.886 89.013 ( -2.797 -1.029 4.355) 5.277 89.052 ( 1.165 -0.378 4.526) 4.688 89.526 ( 2.162 0.959 -3.647) 4.347 90.649 ( -14.887 5.856 -12.219) 20.130 91.468 ( 6.747 1.643 1.486) 7.101 92.155 ( -3.730 -6.173 15.306) 16.921 97.505 ( -2.201 -0.084 0.254) 2.217 97.724 ( 2.086 0.428 1.371) 2.532 97.894 ( 1.475 -2.049 5.023) 5.622 98.211 ( -2.898 0.983 5.915) 6.659 99.297 ( -2.163 -3.909 0.092) 4.468 99.529 ( 0.268 -3.731 -2.681) 4.602 99.901 ( -1.067 3.985 -3.836) 5.633 100.376 ( 5.323 7.143 -8.942) 12.622 ======================= Grid point 122 (64/118) ======================= q-point: (-0.50 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -9.019 2.154 17.766) 20.040 2.453 ( -4.828 11.847 28.338) 31.092 3.433 ( 11.133 1.343 19.030) 22.089 3.814 ( 3.870 -3.045 17.174) 17.866 4.275 ( -12.255 -2.737 17.090) 21.208 4.394 ( -3.924 -3.570 7.971) 9.575 4.550 ( -12.043 11.029 20.486) 26.198 4.860 ( -2.204 2.039 -5.499) 6.265 5.004 ( -0.604 -0.342 1.641) 1.782 5.269 ( -2.045 -8.140 -5.974) 10.302 5.416 ( -0.602 -0.342 6.274) 6.312 5.560 ( -2.039 3.117 2.420) 4.442 5.687 ( 1.739 -7.822 -4.923) 9.404 5.960 ( -1.319 -0.146 -2.853) 3.146 6.112 ( -2.656 7.511 2.209) 8.268 6.244 ( -0.209 -1.211 0.174) 1.241 6.356 ( -2.394 -4.117 -3.929) 6.174 6.543 ( -4.395 0.115 -3.591) 5.677 6.726 ( -0.280 -2.489 -8.781) 9.131 6.793 ( 0.385 3.535 -7.076) 7.920 6.882 ( 2.382 0.331 -1.043) 2.621 6.926 ( 5.986 -4.163 -7.237) 10.274 7.155 ( 2.394 -1.057 -1.059) 2.823 7.304 ( 5.382 -3.079 -2.680) 6.755 7.444 ( -5.750 6.587 -8.801) 12.406 7.675 ( 11.230 -2.011 14.867) 18.741 7.969 ( 4.005 -0.773 2.095) 4.586 8.057 ( -2.707 -0.950 -1.646) 3.308 8.299 ( 2.260 0.886 -4.347) 4.978 8.463 ( 3.499 2.005 6.883) 7.977 8.586 ( 1.657 0.330 -2.954) 3.403 8.922 ( -1.501 1.763 1.853) 2.966 9.103 ( -7.150 -1.581 -11.296) 13.462 9.227 ( -4.064 -0.009 -15.409) 15.936 9.440 ( 1.901 -5.480 2.966) 6.515 9.857 ( 2.067 1.450 1.386) 2.881 10.022 ( 2.112 1.919 10.853) 11.222 10.402 ( -4.660 0.001 -8.296) 9.515 10.587 ( 5.121 -2.122 -7.306) 9.171 11.839 ( 4.710 1.423 0.944) 5.010 12.151 ( -2.541 -2.235 -0.172) 3.388 12.432 ( -4.020 3.536 -10.442) 11.734 12.595 ( 1.926 0.288 0.091) 1.950 12.842 ( 2.108 -4.269 -10.016) 11.090 13.257 ( 3.016 0.448 0.725) 3.134 13.410 ( 4.184 -3.116 3.726) 6.411 13.626 ( -2.134 2.560 -4.308) 5.447 13.886 ( -0.441 -0.140 -1.278) 1.359 14.084 ( 2.792 -2.879 -4.762) 6.226 15.711 ( 5.251 -1.288 6.968) 8.820 16.316 ( 0.851 -0.282 2.618) 2.767 16.640 ( -3.846 -0.687 -0.353) 3.923 16.839 ( -4.138 1.155 10.520) 11.364 17.112 ( 1.505 6.785 0.742) 6.990 17.453 ( -3.999 -0.913 0.707) 4.163 18.903 ( -27.727 -3.644 2.325) 28.061 20.079 ( 24.040 8.605 0.021) 25.534 20.818 ( -0.370 -7.011 -5.080) 8.666 21.125 ( 0.558 8.932 -3.115) 9.476 21.430 ( 2.118 0.771 -0.474) 2.303 21.635 ( -2.521 -7.836 -4.290) 9.282 21.733 ( 2.348 6.859 -10.375) 12.657 22.458 ( 5.062 -3.101 -15.098) 16.223 22.668 ( -0.221 -2.230 22.405) 22.517 23.375 ( -1.280 4.800 7.858) 9.297 23.617 ( 8.502 -3.180 1.424) 9.189 24.060 ( -3.255 10.537 -11.372) 15.841 25.073 ( -6.174 -3.532 11.381) 13.421 25.746 ( -0.903 10.732 6.594) 12.628 26.153 ( -0.871 0.099 -9.954) 9.992 26.715 ( 3.490 -8.959 -7.198) 12.011 26.878 ( 2.875 4.354 -10.917) 12.099 27.192 ( -1.788 3.241 0.975) 3.828 27.283 ( 3.234 6.343 -6.054) 9.346 27.794 ( 2.554 -1.903 -8.099) 8.702 28.107 ( -1.203 -7.143 -4.833) 8.708 28.424 ( 4.762 -8.677 0.576) 9.914 28.609 ( -1.809 -1.654 -7.857) 8.231 29.203 ( -0.075 16.085 -7.364) 17.691 29.655 ( 2.539 -2.611 -3.938) 5.363 30.241 ( -2.021 -3.864 0.495) 4.389 30.306 ( -0.125 -4.076 2.376) 4.720 31.027 ( 7.842 1.559 -8.898) 11.962 31.277 ( -6.213 0.204 3.691) 7.230 31.552 ( 5.702 -1.376 -2.180) 6.258 32.356 ( 3.050 -0.426 1.774) 3.553 32.580 ( -5.126 0.149 12.376) 13.397 46.070 ( -3.537 1.357 10.944) 11.581 46.211 ( -2.148 -2.836 8.810) 9.502 47.912 ( 0.296 -0.006 -3.204) 3.217 48.137 ( 1.118 0.762 -3.101) 3.383 48.262 ( 3.115 0.546 -4.268) 5.312 48.519 ( -1.701 -1.792 -3.946) 4.656 48.849 ( 0.724 -1.158 -1.710) 2.189 49.527 ( 0.587 1.258 -1.245) 1.865 87.967 ( 0.171 -0.707 -2.164) 2.283 88.127 ( 0.972 2.792 -2.918) 4.154 89.011 ( -1.702 -1.067 3.708) 4.217 89.129 ( 2.652 -2.044 6.966) 7.729 89.584 ( 7.577 -0.666 -0.225) 7.609 90.258 ( -14.668 7.424 -9.539) 19.007 91.539 ( 5.720 4.787 1.067) 7.535 92.274 ( -4.550 -11.408 13.786) 18.463 97.484 ( -1.389 -1.174 0.272) 1.839 97.751 ( 2.061 1.999 2.340) 3.704 97.953 ( -0.329 -1.102 3.657) 3.834 98.198 ( -1.988 -1.495 6.435) 6.899 99.342 ( -0.816 -6.906 1.197) 7.057 99.589 ( 0.760 -6.090 -2.629) 6.676 99.778 ( -2.390 7.489 -3.769) 8.718 100.289 ( 5.160 11.824 -11.820) 17.497 ======================= Grid point 123 (65/118) ======================= q-point: (-0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -5.137 2.559 27.111) 27.712 2.502 ( 9.775 12.577 37.320) 40.577 3.565 ( -1.246 13.834 11.183) 17.832 3.908 ( -0.166 -10.923 7.336) 13.159 4.155 ( -8.740 8.333 35.314) 37.322 4.503 ( 10.921 0.176 13.757) 17.566 4.653 ( 2.578 -17.511 8.732) 19.736 4.806 ( -2.371 -4.829 -6.586) 8.504 5.037 ( -0.255 -1.013 9.594) 9.651 5.303 ( -4.899 -8.060 0.032) 9.432 5.404 ( -6.024 -1.071 -7.144) 9.406 5.474 ( 0.465 6.084 9.152) 10.999 5.765 ( 6.041 0.665 -8.911) 10.786 5.896 ( -11.260 2.976 2.495) 11.911 5.981 ( 2.006 3.388 -2.228) 4.524 6.160 ( -0.868 3.405 -6.463) 7.357 6.399 ( -3.670 -3.188 2.092) 5.293 6.465 ( -4.509 -0.519 -0.302) 4.549 6.649 ( -0.951 0.658 -4.955) 5.089 6.796 ( -5.395 -0.338 -7.686) 9.396 6.812 ( 2.175 -1.271 -12.337) 12.592 7.001 ( 0.359 -1.845 -2.021) 2.760 7.199 ( -4.949 5.297 -2.663) 7.723 7.259 ( 4.186 -2.339 -3.407) 5.882 7.471 ( 10.065 0.010 -6.634) 12.055 7.794 ( -0.154 1.004 -1.196) 1.569 7.961 ( -7.691 -2.079 5.000) 9.406 8.065 ( 4.049 0.665 1.404) 4.337 8.264 ( -3.089 -0.788 -7.891) 8.511 8.519 ( 2.471 0.282 -0.512) 2.539 8.667 ( 9.419 2.014 5.185) 10.939 8.870 ( -1.658 1.217 -0.788) 2.202 9.012 ( -6.368 -2.544 -6.249) 9.278 9.071 ( -5.289 0.116 -7.644) 9.296 9.517 ( -0.975 -5.209 -2.771) 5.980 9.915 ( 6.200 1.444 -1.492) 6.538 10.031 ( 0.542 2.739 5.864) 6.495 10.387 ( 2.358 -0.280 -3.956) 4.614 10.683 ( 5.958 -2.791 -0.499) 6.598 11.849 ( -0.652 3.120 -0.983) 3.336 12.155 ( 0.037 -1.727 -0.050) 1.729 12.334 ( 2.124 1.315 -6.026) 6.523 12.646 ( 3.216 -0.321 -0.534) 3.276 12.846 ( -0.151 -1.281 -10.457) 10.536 13.322 ( 3.246 -1.745 2.062) 4.223 13.541 ( -1.057 0.905 -9.871) 9.968 13.573 ( 5.843 -3.202 5.674) 8.751 13.866 ( -3.112 -2.992 -1.073) 4.449 14.102 ( -0.885 -1.595 -6.402) 6.657 15.788 ( -0.917 -0.129 2.714) 2.867 16.364 ( 2.505 -0.219 3.124) 4.011 16.596 ( -1.708 -0.386 2.442) 3.005 16.805 ( -2.990 2.384 7.360) 8.295 17.084 ( 2.147 3.277 4.116) 5.683 17.377 ( -4.839 -0.341 -0.462) 4.873 18.615 ( -13.898 -4.246 4.923) 15.344 20.352 ( 19.435 6.563 2.669) 20.686 20.863 ( -1.655 -3.221 -2.294) 4.287 21.020 ( 0.742 5.025 -2.539) 5.679 21.425 ( -1.805 -0.832 -2.124) 2.909 21.583 ( -1.560 2.632 -10.072) 10.527 21.724 ( 5.119 0.635 -6.025) 7.932 22.489 ( 2.065 -2.293 -13.470) 13.819 22.808 ( -0.065 -3.949 21.838) 22.193 23.286 ( -4.507 7.644 4.762) 10.071 23.619 ( -5.704 12.996 -9.843) 17.272 23.907 ( 5.343 -0.355 -0.161) 5.357 25.100 ( -2.915 -4.854 11.593) 12.902 25.591 ( -3.311 11.443 7.361) 14.003 26.158 ( 4.664 -1.404 -8.389) 9.700 26.807 ( 2.178 4.248 -10.216) 11.276 26.862 ( 3.537 -9.943 -7.135) 12.739 27.108 ( -1.228 2.996 -1.136) 3.431 27.235 ( 0.203 6.023 -2.442) 6.502 27.812 ( 2.327 -0.747 -9.398) 9.710 28.139 ( -2.250 -5.519 -5.187) 7.901 28.569 ( 5.713 3.767 -1.281) 6.962 28.633 ( 2.631 -8.092 -3.104) 9.057 28.969 ( -1.149 11.977 -5.197) 13.106 29.681 ( -0.307 -1.858 -7.712) 7.939 30.223 ( -0.965 -2.394 -1.433) 2.952 30.421 ( 0.302 -6.777 3.674) 7.715 31.019 ( -1.731 3.327 -8.440) 9.236 31.165 ( -3.078 1.530 -2.433) 4.211 31.694 ( 7.056 -1.707 -0.159) 7.262 32.392 ( -0.333 -0.074 -0.595) 0.686 32.604 ( -0.488 -2.128 14.342) 14.508 46.056 ( -2.145 1.458 11.204) 11.500 46.241 ( -3.638 -3.007 7.892) 9.196 47.913 ( 0.884 -0.749 -2.830) 3.058 48.129 ( 0.909 0.774 -3.142) 3.361 48.258 ( 1.472 2.582 -5.039) 5.851 48.524 ( 0.858 -2.368 -2.431) 3.500 48.867 ( 0.653 -0.910 -2.063) 2.347 49.509 ( -0.188 0.995 -1.149) 1.532 87.975 ( 0.860 -0.916 -2.055) 2.408 88.081 ( -0.146 3.031 -2.519) 3.944 89.012 ( -1.392 -0.730 3.014) 3.399 89.218 ( 0.119 -2.879 4.133) 5.038 89.838 ( 15.701 -5.065 -1.358) 16.553 89.918 ( -8.160 5.295 -4.115) 10.562 91.542 ( 2.868 6.766 2.114) 7.647 92.390 ( -8.243 -12.513 11.878) 19.121 97.490 ( -0.691 -2.118 0.418) 2.267 97.763 ( 1.733 2.857 2.798) 4.358 97.929 ( -2.831 2.336 2.263) 4.312 98.239 ( -2.383 -5.092 5.579) 7.920 99.460 ( 2.010 -7.794 2.339) 8.382 99.614 ( -2.070 9.052 -2.721) 9.676 99.684 ( 1.771 -7.084 -2.714) 7.791 100.158 ( 5.051 11.544 -12.197) 17.536 ======================= Grid point 124 (66/118) ======================= q-point: (-0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.298 0.105 35.331) 35.332 2.685 ( 4.177 8.143 38.087) 39.171 3.292 ( -14.170 10.425 12.187) 21.400 4.069 ( -4.107 -5.172 9.111) 11.253 4.186 ( 7.366 5.569 31.049) 32.393 4.747 ( -7.584 -9.386 5.955) 13.457 4.866 ( 11.734 -9.951 3.387) 15.754 5.016 ( 2.323 -3.650 9.248) 10.210 5.062 ( 2.588 -6.773 2.247) 7.591 5.274 ( -2.416 0.522 -4.775) 5.377 5.352 ( -0.257 -6.303 4.471) 7.732 5.458 ( 1.283 2.082 -1.402) 2.819 5.671 ( -5.232 4.626 2.797) 7.523 5.857 ( 8.589 1.715 -8.877) 12.471 5.931 ( 0.225 4.920 0.475) 4.948 6.149 ( 2.250 3.603 0.031) 4.248 6.160 ( -15.163 5.306 2.229) 16.219 6.410 ( -1.202 5.012 -10.493) 11.691 6.604 ( -2.878 -1.200 -6.830) 7.508 6.707 ( -3.789 -4.699 0.646) 6.071 6.869 ( 5.823 -0.341 -8.092) 9.976 6.948 ( -7.685 -2.303 1.300) 8.128 7.118 ( 4.167 1.193 -4.753) 6.433 7.317 ( -3.604 -0.013 -10.015) 10.644 7.465 ( 0.182 3.119 0.634) 3.188 7.791 ( -1.945 -2.297 -3.524) 4.634 7.882 ( -1.980 -0.732 -4.111) 4.621 8.127 ( 3.629 1.882 2.207) 4.646 8.203 ( -0.996 -1.437 -7.674) 7.871 8.523 ( -1.825 -2.122 -1.457) 3.156 8.735 ( -2.834 0.397 -5.411) 6.121 8.863 ( -0.220 -1.226 -6.573) 6.690 8.932 ( 2.842 3.464 1.573) 4.748 9.057 ( 7.872 3.415 13.468) 15.969 9.520 ( -3.208 -4.826 -7.531) 9.502 9.930 ( -2.520 0.306 -3.464) 4.294 10.086 ( 8.657 2.482 -3.540) 9.677 10.365 ( -6.630 -2.293 1.529) 7.180 10.867 ( 10.194 -2.791 1.566) 10.685 11.757 ( -3.949 3.136 1.130) 5.167 12.194 ( 2.333 -0.669 0.727) 2.534 12.399 ( 7.281 -0.628 -2.984) 7.894 12.674 ( 3.133 1.598 -8.087) 8.818 12.795 ( -1.245 -0.062 -6.895) 7.006 13.417 ( 3.916 -1.860 -0.439) 4.357 13.470 ( -1.978 -1.499 -13.319) 13.548 13.674 ( 0.077 0.020 7.143) 7.144 13.860 ( -2.986 -5.150 -3.706) 7.013 14.038 ( -4.369 0.167 -6.774) 8.062 15.718 ( -6.680 0.402 -0.057) 6.692 16.387 ( -0.341 2.669 1.632) 3.147 16.613 ( -0.017 0.121 6.902) 6.903 16.804 ( 1.606 -2.872 4.651) 5.697 17.092 ( -1.128 1.620 4.119) 4.567 17.377 ( 1.755 -2.304 6.847) 7.435 18.621 ( 5.905 -4.777 2.916) 8.135 20.516 ( 3.510 4.342 0.848) 5.647 20.810 ( -1.287 3.155 4.239) 5.439 21.033 ( 2.111 -2.401 -1.297) 3.451 21.390 ( -2.169 -1.510 -2.943) 3.955 21.518 ( 3.782 0.545 -10.784) 11.441 21.757 ( 4.680 3.486 -6.427) 8.681 22.463 ( 0.085 -0.768 -12.477) 12.501 22.847 ( -9.544 9.397 4.340) 14.079 23.104 ( -1.587 0.829 8.430) 8.618 23.366 ( -2.879 7.601 2.537) 8.515 24.042 ( 5.316 -2.272 3.072) 6.546 25.184 ( -1.695 -2.057 12.148) 12.437 25.477 ( 1.031 4.538 7.128) 8.512 26.229 ( 6.722 -0.338 -8.782) 11.065 26.776 ( 3.415 0.820 -8.830) 9.503 26.962 ( -4.676 -4.551 -6.952) 9.535 27.082 ( 2.657 2.837 -3.971) 5.557 27.144 ( 2.123 0.774 1.090) 2.509 27.803 ( 1.819 0.890 -8.711) 8.944 28.142 ( -0.015 -3.378 -7.645) 8.358 28.535 ( -1.913 10.337 -5.629) 11.925 28.665 ( 7.463 7.542 -3.010) 11.029 28.982 ( 5.004 -10.164 -1.035) 11.377 29.623 ( -2.624 0.485 -7.625) 8.079 30.270 ( 1.063 -4.614 -0.344) 4.748 30.480 ( -3.432 -3.152 -0.856) 4.737 30.868 ( -4.830 2.482 -3.962) 6.722 31.115 ( 0.506 2.779 -1.105) 3.034 31.773 ( 1.705 0.374 -2.755) 3.262 32.358 ( -2.505 0.178 -0.454) 2.552 32.711 ( -0.059 -3.910 10.352) 11.066 46.063 ( -1.112 1.397 11.089) 11.232 46.237 ( -5.063 -2.092 7.755) 9.494 47.932 ( 1.235 -1.387 -2.656) 3.241 48.119 ( 0.846 0.735 -2.987) 3.190 48.215 ( 0.702 2.696 -4.685) 5.451 48.572 ( 2.876 -1.413 -2.824) 4.271 48.870 ( 0.238 -0.158 -2.638) 2.654 49.491 ( -0.328 0.246 -0.607) 0.733 87.999 ( 1.481 -0.480 -1.435) 2.117 88.035 ( 0.057 1.517 -2.198) 2.671 89.013 ( -1.158 -0.593 2.718) 3.013 89.227 ( -3.839 -1.229 1.000) 4.153 89.670 ( -5.781 2.313 -7.990) 10.130 90.338 ( 24.761 -10.148 -2.516) 26.878 91.489 ( -0.549 6.257 3.920) 7.404 92.398 ( -13.658 -8.116 10.545) 19.069 97.517 ( -0.284 -2.828 0.674) 2.921 97.761 ( 1.333 3.612 2.162) 4.416 97.843 ( -3.579 2.993 2.183) 5.151 98.277 ( -3.886 -5.021 4.401) 7.725 99.464 ( -1.372 7.738 -1.414) 7.985 99.569 ( 1.761 -0.547 -0.488) 1.908 99.799 ( 3.175 -5.782 -2.823) 7.175 100.114 ( 6.522 0.806 -7.334) 9.847 ======================= Grid point 127 (67/118) ======================= q-point: ( 0.33 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -5.483 0.000 12.264) 13.434 2.629 ( -1.161 0.000 27.597) 27.621 3.411 ( 6.408 -0.000 18.522) 19.600 3.887 ( -9.264 0.000 4.249) 10.192 3.945 ( 9.052 -0.000 25.908) 27.444 4.504 ( -23.957 0.000 34.803) 42.251 4.907 ( -5.529 0.000 1.146) 5.647 4.955 ( 1.867 -0.000 -4.527) 4.897 4.968 ( 0.670 -0.000 -1.697) 1.824 4.981 ( -12.855 0.000 -12.669) 18.048 5.469 ( 7.166 -0.000 -7.308) 10.235 5.511 ( -3.934 0.000 21.497) 21.854 5.586 ( 0.754 -0.000 -2.146) 2.275 5.959 ( -0.341 0.000 -4.060) 4.074 6.225 ( -2.707 0.000 -0.805) 2.824 6.262 ( 2.083 -0.000 1.814) 2.762 6.276 ( 3.620 -0.000 -3.658) 5.146 6.575 ( -8.030 0.000 -8.520) 11.708 6.619 ( -4.087 0.000 -5.175) 6.594 6.801 ( 6.767 -0.000 -4.232) 7.982 6.878 ( 3.793 -0.000 -15.729) 16.180 6.957 ( -3.235 0.000 4.515) 5.554 7.167 ( 5.126 -0.000 0.209) 5.130 7.235 ( 4.764 -0.000 -4.617) 6.634 7.574 ( 14.193 -0.000 18.744) 23.511 7.584 ( -4.946 0.000 -7.372) 8.877 7.957 ( -0.723 0.000 2.681) 2.777 8.043 ( -0.618 0.000 -1.773) 1.878 8.305 ( 1.392 -0.000 -3.491) 3.758 8.494 ( 6.416 -0.000 10.096) 11.962 8.593 ( 0.294 -0.000 -8.366) 8.371 8.940 ( -0.888 0.000 2.969) 3.099 9.088 ( -9.464 0.000 -13.199) 16.241 9.232 ( -6.267 0.000 -17.000) 18.118 9.371 ( 3.575 -0.000 5.865) 6.868 9.884 ( 3.310 -0.000 1.043) 3.471 10.044 ( 3.528 -0.000 13.445) 13.900 10.398 ( -4.794 0.000 -9.832) 10.938 10.559 ( 4.724 -0.000 -7.484) 8.851 11.856 ( 5.220 -0.000 1.798) 5.521 12.125 ( -1.273 0.000 -0.949) 1.587 12.492 ( -4.094 0.000 -11.290) 12.009 12.613 ( -0.230 0.000 -1.935) 1.949 12.747 ( 3.240 -0.000 -9.588) 10.121 13.273 ( 2.277 -0.000 2.582) 3.443 13.361 ( 2.919 -0.000 3.007) 4.191 13.671 ( -2.528 0.000 -5.013) 5.614 13.904 ( 0.820 -0.000 -1.820) 1.997 14.026 ( 3.221 -0.000 -4.085) 5.202 15.692 ( 5.852 -0.000 7.357) 9.401 16.314 ( 0.973 -0.000 2.466) 2.651 16.629 ( -3.496 0.000 0.301) 3.509 16.852 ( -4.331 0.000 11.320) 12.121 17.239 ( 1.464 -0.000 -4.816) 5.034 17.406 ( -6.272 0.000 5.066) 8.063 18.850 ( -27.869 0.000 1.871) 27.932 20.219 ( 23.718 -0.000 -1.849) 23.790 20.702 ( 0.054 -0.000 -4.299) 4.300 21.293 ( -1.951 0.000 -6.248) 6.546 21.440 ( -1.495 0.000 -0.323) 1.530 21.487 ( 4.438 -0.000 1.034) 4.557 21.844 ( 1.420 -0.000 -8.015) 8.140 22.397 ( 5.366 -0.000 -19.361) 20.090 22.641 ( -0.172 0.000 22.672) 22.673 23.439 ( -1.542 0.000 7.030) 7.197 23.565 ( 10.410 -0.000 2.569) 10.722 24.204 ( -1.241 0.000 -13.153) 13.212 25.022 ( -6.600 0.000 12.927) 14.515 25.919 ( 1.165 -0.000 3.078) 3.291 26.172 ( -4.026 0.000 -7.656) 8.650 26.550 ( 3.943 -0.000 -9.495) 10.281 26.941 ( 3.571 -0.000 -10.959) 11.526 27.237 ( 0.076 -0.000 3.917) 3.918 27.416 ( 0.030 -0.000 -9.985) 9.985 27.741 ( 2.069 -0.000 -8.853) 9.092 27.993 ( -0.408 0.000 -2.679) 2.710 28.274 ( 5.039 -0.000 4.227) 6.577 28.608 ( 2.148 -0.000 -7.375) 7.681 29.486 ( -3.873 0.000 -6.742) 7.775 29.601 ( 4.322 -0.000 -12.324) 13.060 30.109 ( 1.428 -0.000 13.355) 13.431 30.284 ( -4.330 0.000 -3.772) 5.743 31.047 ( 8.801 -0.000 -10.242) 13.503 31.279 ( -5.966 0.000 4.172) 7.280 31.533 ( 5.325 -0.000 -1.870) 5.643 32.352 ( 3.248 -0.000 1.528) 3.590 32.584 ( -5.831 0.000 12.137) 13.464 46.093 ( -3.655 0.000 10.980) 11.572 46.169 ( -2.170 0.000 9.481) 9.726 47.911 ( -0.312 0.000 -3.533) 3.546 48.154 ( 1.586 -0.000 -3.362) 3.717 48.262 ( 4.208 -0.000 -3.358) 5.384 48.498 ( -1.968 0.000 -3.980) 4.440 48.831 ( 0.543 -0.000 -1.417) 1.518 49.545 ( 0.560 -0.000 -1.723) 1.812 87.956 ( 0.084 -0.000 -2.009) 2.011 88.165 ( 0.928 -0.000 -3.368) 3.493 89.002 ( -0.773 0.000 5.942) 5.992 89.099 ( 1.875 -0.000 5.415) 5.730 89.571 ( 4.764 -0.000 -2.948) 5.602 90.356 ( -17.312 0.000 -8.857) 19.446 91.609 ( 7.524 -0.000 -1.789) 7.734 92.131 ( -2.786 0.000 16.350) 16.585 97.464 ( -2.146 0.000 -0.094) 2.148 97.796 ( 4.129 -0.000 2.433) 4.793 97.919 ( 0.296 -0.000 5.020) 5.029 98.195 ( -3.109 0.000 6.147) 6.889 99.240 ( -1.512 0.000 0.412) 1.568 99.498 ( 0.360 -0.000 -2.255) 2.284 99.881 ( -2.288 0.000 -4.000) 4.608 100.448 ( 3.606 -0.000 -12.656) 13.160 ======================= Grid point 129 (68/118) ======================= q-point: (-0.50 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -3.209 1.853 15.767) 16.197 2.824 ( 11.875 9.560 34.161) 37.408 3.629 ( 1.837 -7.090 12.014) 14.070 3.732 ( -7.167 -1.736 5.426) 9.155 4.277 ( -12.505 0.123 19.155) 22.876 4.324 ( 9.814 -3.295 29.510) 31.273 4.652 ( -9.352 4.856 5.608) 11.937 4.788 ( -1.217 6.044 -8.233) 10.286 4.995 ( 0.293 -2.008 2.397) 3.141 5.074 ( -0.712 -9.707 -1.086) 9.794 5.453 ( -1.131 5.899 2.240) 6.411 5.570 ( -3.490 0.618 11.413) 11.950 5.676 ( 6.681 -6.225 -0.866) 9.173 5.958 ( 2.834 1.597 -4.406) 5.477 6.114 ( -7.443 4.870 -3.911) 9.716 6.241 ( -3.924 -3.089 -2.671) 5.663 6.273 ( 1.958 2.733 -3.568) 4.902 6.466 ( -0.448 -0.263 -0.933) 1.068 6.584 ( -3.261 -5.744 -4.634) 8.069 6.750 ( -11.228 -1.284 -9.172) 14.555 6.873 ( 1.936 3.245 -4.060) 5.546 6.955 ( 5.787 -0.650 -0.413) 5.838 7.239 ( 3.775 0.304 -2.656) 4.626 7.354 ( 5.200 3.835 -10.164) 12.043 7.477 ( 4.564 1.706 -2.213) 5.351 7.802 ( 0.970 -1.815 6.783) 7.088 7.903 ( -7.851 -1.790 7.490) 10.997 8.008 ( -1.293 -2.308 0.921) 2.802 8.251 ( -4.571 -0.135 -12.579) 13.385 8.533 ( -2.733 0.280 -5.379) 6.040 8.691 ( 10.850 0.208 6.392) 12.595 8.905 ( -2.392 1.198 -5.349) 5.981 8.942 ( -4.951 -2.024 -5.380) 7.586 9.075 ( -2.211 -0.073 -4.303) 4.839 9.448 ( 1.452 -0.585 4.223) 4.504 9.967 ( 7.542 1.808 -1.106) 7.834 10.100 ( -0.596 2.041 6.035) 6.399 10.361 ( 0.910 -1.282 -7.301) 7.468 10.633 ( 6.865 -1.036 -0.427) 6.956 11.906 ( 0.314 1.132 -1.122) 1.625 12.134 ( 2.644 -0.124 -0.999) 2.829 12.374 ( -0.598 1.336 -9.614) 9.725 12.635 ( 2.519 -0.290 1.823) 3.123 12.764 ( 0.814 -3.272 -10.171) 10.715 13.316 ( 1.374 0.390 5.166) 5.360 13.474 ( 5.941 -2.764 3.320) 7.345 13.584 ( -1.659 1.537 -11.301) 11.525 13.878 ( -1.380 2.017 -0.691) 2.540 14.049 ( -0.001 -2.135 -5.272) 5.688 15.785 ( 0.675 -0.084 3.809) 3.869 16.354 ( 2.377 -0.268 2.526) 3.479 16.585 ( -1.439 -0.308 2.153) 2.608 16.862 ( -1.402 1.347 12.650) 12.798 17.164 ( -3.044 2.547 -4.394) 5.921 17.330 ( -7.643 -2.126 2.105) 8.208 18.516 ( -14.460 -2.536 3.410) 15.072 20.525 ( 17.601 5.800 0.569) 18.541 20.732 ( 1.830 -4.634 -3.785) 6.257 21.197 ( -1.500 5.318 -3.136) 6.353 21.360 ( -7.389 -3.504 -1.209) 8.266 21.614 ( 6.477 2.048 -1.698) 7.002 21.806 ( 2.829 2.334 -8.424) 9.187 22.404 ( 2.915 -3.036 -16.933) 17.448 22.735 ( -1.898 -1.496 23.528) 23.652 23.410 ( -3.413 2.506 4.247) 5.997 23.757 ( 9.271 -0.224 2.075) 9.503 24.024 ( -6.168 5.700 -18.999) 20.772 24.993 ( -5.480 -2.586 13.089) 14.423 25.877 ( -1.979 8.216 4.007) 9.353 26.128 ( 3.405 -0.281 -5.641) 6.595 26.607 ( 1.920 -7.755 -9.728) 12.588 26.912 ( 1.475 2.721 -11.823) 12.221 27.178 ( -4.972 1.970 0.804) 5.408 27.392 ( 4.311 4.571 -5.362) 8.260 27.760 ( 2.584 -2.647 -9.181) 9.898 28.006 ( 0.022 -3.443 -3.388) 4.831 28.424 ( 5.433 -4.953 4.496) 8.617 28.648 ( 6.646 1.842 -0.305) 6.903 29.312 ( -3.068 10.073 -9.045) 13.881 29.601 ( -0.584 -3.267 -10.472) 10.985 30.177 ( -1.759 0.055 2.293) 2.890 30.263 ( 0.638 -5.456 3.937) 6.759 31.092 ( 2.325 2.315 -12.052) 12.490 31.172 ( -4.720 -0.821 -2.307) 5.317 31.655 ( 7.125 -0.943 2.050) 7.474 32.394 ( 0.381 0.138 0.440) 0.598 32.572 ( -2.682 -0.454 14.315) 14.571 46.091 ( -2.041 0.969 11.436) 11.657 46.177 ( -3.342 -1.597 9.019) 9.750 47.895 ( 0.084 -0.439 -3.209) 3.240 48.156 ( 1.367 0.902 -3.568) 3.926 48.306 ( 3.131 0.936 -5.390) 6.303 48.473 ( 0.470 -1.161 -1.176) 1.718 48.842 ( 0.817 -0.719 -1.191) 1.613 49.532 ( -0.445 0.585 -2.254) 2.371 87.955 ( 0.442 -0.512 -1.922) 2.038 88.141 ( -0.662 1.284 -3.625) 3.902 89.020 ( 0.095 1.049 5.324) 5.427 89.161 ( 0.826 -1.604 5.325) 5.622 89.691 ( 9.078 -4.119 -1.747) 10.120 90.032 ( -14.526 2.524 -6.949) 16.300 91.669 ( 2.292 2.370 -1.470) 3.610 92.211 ( 0.781 -2.198 16.016) 16.185 97.441 ( -1.371 -1.208 -0.165) 1.834 97.856 ( 3.774 3.401 3.526) 6.184 97.945 ( -1.022 -1.062 3.956) 4.222 98.172 ( -3.056 -0.458 6.321) 7.036 99.266 ( 0.711 -5.125 0.998) 5.270 99.522 ( 0.663 -4.061 -2.103) 4.621 99.794 ( -2.691 3.973 -3.774) 6.105 100.386 ( 0.958 4.885 -15.205) 15.999 ======================= Grid point 130 (69/118) ======================= q-point: (-0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -0.862 0.602 23.680) 23.703 2.976 ( 3.708 13.633 33.893) 36.720 3.461 ( -21.607 -2.211 8.972) 23.500 3.932 ( 1.679 -1.420 5.990) 6.381 4.191 ( -3.072 -7.941 13.887) 16.290 4.561 ( -5.503 -4.080 2.504) 7.293 4.664 ( 7.265 -1.236 24.099) 25.200 4.854 ( 15.919 -3.284 3.161) 16.558 5.047 ( -0.113 -1.019 6.411) 6.492 5.152 ( -0.757 -7.512 -1.065) 7.625 5.323 ( -5.091 4.935 -0.488) 7.107 5.554 ( -1.902 3.251 9.695) 10.401 5.778 ( -2.246 1.501 -1.824) 3.260 5.902 ( 6.150 4.382 -3.257) 8.224 6.035 ( 2.253 1.294 -2.350) 3.503 6.191 ( 0.571 -0.086 -3.777) 3.820 6.302 ( -4.756 0.887 -1.813) 5.167 6.398 ( -4.084 0.956 -0.275) 4.204 6.546 ( -7.820 -4.783 -2.977) 9.638 6.602 ( -0.590 -3.036 -2.289) 3.848 6.870 ( 3.393 0.916 -1.578) 3.853 7.012 ( 2.348 4.428 -11.503) 12.548 7.169 ( -1.366 2.611 -3.520) 4.591 7.328 ( 1.333 2.977 -5.229) 6.163 7.554 ( 0.823 2.107 -1.285) 2.602 7.760 ( 0.036 0.413 -5.607) 5.622 7.839 ( -5.927 -1.988 4.029) 7.438 8.091 ( -1.060 -4.044 -3.983) 5.775 8.138 ( -0.728 -4.132 -4.305) 6.012 8.457 ( -4.241 -3.204 -5.805) 7.871 8.744 ( -4.294 0.672 -2.605) 5.067 8.855 ( 1.595 0.423 -8.644) 8.800 8.997 ( 7.276 1.720 9.621) 12.184 9.111 ( 6.411 -0.529 5.502) 8.465 9.458 ( -1.278 0.887 0.443) 1.618 9.983 ( -2.512 3.823 -4.825) 6.649 10.134 ( 8.359 0.965 -1.909) 8.628 10.307 ( -7.276 -2.000 -1.077) 7.623 10.811 ( 10.597 -1.457 0.834) 10.729 11.829 ( -4.529 2.009 -2.073) 5.371 12.196 ( 5.041 0.855 0.573) 5.145 12.385 ( 5.598 -0.362 -4.624) 7.270 12.691 ( 2.270 -0.302 -1.485) 2.729 12.754 ( -0.855 -2.976 -9.106) 9.618 13.362 ( -0.323 -2.423 1.407) 2.821 13.470 ( -0.404 2.224 -11.126) 11.354 13.640 ( 4.931 -2.942 2.865) 6.417 13.819 ( -1.071 2.101 -0.612) 2.436 14.024 ( -2.442 -1.152 -5.750) 6.352 15.740 ( -5.761 0.970 0.716) 5.886 16.415 ( 2.310 -0.348 1.983) 3.064 16.614 ( 1.707 0.037 5.692) 5.943 16.821 ( -3.790 4.014 4.908) 7.387 17.120 ( -1.927 -0.729 2.371) 3.141 17.257 ( -5.127 -5.211 5.198) 8.970 18.484 ( 2.775 -5.036 2.574) 6.299 20.653 ( 4.461 5.447 0.087) 7.041 20.782 ( -1.409 -3.173 -2.143) 4.081 21.114 ( 1.989 5.978 1.597) 6.500 21.296 ( -4.582 -4.851 -3.376) 7.478 21.588 ( 1.851 5.420 -7.632) 9.542 21.855 ( 8.063 2.070 -5.841) 10.169 22.405 ( 0.465 -3.307 -12.658) 13.091 22.849 ( -1.251 -3.772 21.497) 21.862 23.267 ( -9.773 6.264 -1.171) 11.667 23.644 ( -4.395 11.808 -13.852) 18.725 23.970 ( 4.339 -3.002 2.111) 5.683 25.048 ( -1.718 -6.085 12.650) 14.142 25.716 ( -3.263 11.148 4.137) 12.330 26.212 ( 7.141 -0.332 -4.359) 8.373 26.712 ( 0.632 -11.368 -8.792) 14.385 26.835 ( 1.094 2.722 -11.448) 11.818 27.095 ( -2.893 0.414 1.215) 3.165 27.338 ( 1.961 8.636 -5.893) 10.637 27.796 ( 3.013 -1.725 -9.306) 9.933 28.038 ( 1.165 -4.069 -6.600) 7.841 28.593 ( 4.715 -5.198 1.579) 7.193 28.782 ( 11.332 3.079 5.381) 12.917 29.067 ( -3.243 12.849 -8.904) 15.965 29.566 ( -4.073 -4.246 -9.462) 11.142 30.168 ( -0.163 -1.899 -0.054) 1.907 30.373 ( 1.263 -5.170 1.902) 5.652 30.960 ( -4.963 4.205 -5.018) 8.216 31.144 ( -0.096 -0.923 -6.095) 6.165 31.772 ( 4.549 -0.351 -0.885) 4.648 32.365 ( -3.283 0.319 1.870) 3.791 32.629 ( -0.863 -1.926 12.416) 12.594 46.103 ( -0.962 1.512 11.214) 11.356 46.180 ( -4.155 -2.053 8.787) 9.935 47.896 ( 0.499 -1.167 -2.947) 3.209 48.148 ( 1.352 1.210 -3.366) 3.824 48.283 ( 0.487 2.214 -5.911) 6.331 48.532 ( 4.003 -1.445 -0.852) 4.340 48.859 ( 0.734 -0.645 -1.623) 1.895 49.501 ( -0.936 0.484 -2.016) 2.275 87.969 ( 1.075 -1.232 -1.711) 2.367 88.088 ( -1.172 1.800 -3.134) 3.799 89.021 ( -0.362 1.552 3.912) 4.224 89.194 ( -1.743 -1.248 3.451) 4.063 89.737 ( -9.364 2.436 -7.512) 12.249 90.011 ( 13.022 -12.866 -0.669) 18.318 91.622 ( -3.274 2.954 0.886) 4.498 92.314 ( 1.561 1.699 14.601) 14.782 97.447 ( -0.644 -2.265 -0.059) 2.356 97.871 ( 1.863 4.007 4.541) 6.336 97.923 ( -1.988 2.946 2.029) 4.092 98.173 ( -2.644 -2.429 6.148) 7.120 99.403 ( 3.276 -9.233 1.633) 9.932 99.603 ( 1.385 -6.803 -2.258) 7.300 99.668 ( -2.173 5.764 -2.734) 6.740 100.237 ( -1.090 5.950 -15.235) 16.392 ======================= Grid point 131 (70/118) ======================= q-point: (-0.17 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 2.994 -2.785 30.020) 30.298 2.942 ( -6.525 8.886 30.969) 32.873 3.123 ( -23.176 4.463 15.381) 28.171 3.800 ( -19.819 -9.161 2.076) 21.932 4.409 ( 4.692 -3.523 6.039) 8.420 4.598 ( 0.384 -5.995 9.266) 11.043 4.889 ( -0.309 -5.281 5.641) 7.733 4.991 ( -3.899 4.053 8.804) 10.447 5.119 ( -5.260 -4.842 1.531) 7.311 5.162 ( 1.123 -2.865 -2.869) 4.207 5.420 ( 12.508 -6.057 8.956) 16.533 5.557 ( 8.347 2.777 2.671) 9.193 5.699 ( -2.517 5.200 1.658) 6.010 5.923 ( -4.310 4.696 2.530) 6.857 6.045 ( 7.856 1.628 -2.225) 8.325 6.094 ( 2.866 4.541 3.247) 6.275 6.297 ( 6.702 3.589 -1.002) 7.668 6.365 ( -1.012 -1.610 -1.104) 2.199 6.538 ( 1.040 -1.896 -7.389) 7.699 6.674 ( 2.989 -4.085 5.337) 7.355 6.801 ( -7.820 5.131 -1.451) 9.465 6.922 ( 1.298 2.663 -5.936) 6.634 7.129 ( -6.898 3.376 -10.589) 13.081 7.239 ( 6.848 0.292 -8.928) 11.255 7.504 ( -2.457 1.509 3.483) 4.522 7.757 ( -2.549 0.643 6.137) 6.676 7.777 ( -2.280 -2.593 -12.894) 13.348 8.084 ( -0.084 -3.628 -9.644) 10.304 8.201 ( 1.606 -1.501 -0.952) 2.395 8.461 ( 1.848 -3.814 -4.630) 6.277 8.628 ( -7.728 0.379 1.443) 7.871 8.870 ( 3.803 0.425 -3.478) 5.171 9.082 ( 6.411 1.866 0.486) 6.695 9.348 ( 11.069 2.496 14.540) 18.443 9.406 ( -0.466 -0.851 -2.571) 2.748 9.815 ( -8.658 1.473 -9.077) 12.631 10.148 ( -8.316 -0.975 -2.176) 8.651 10.291 ( 7.963 1.119 -2.410) 8.395 10.964 ( 4.031 -1.892 -2.365) 5.042 11.735 ( -3.138 1.525 0.818) 3.584 12.263 ( 3.439 2.000 3.033) 5.003 12.483 ( 6.025 -1.834 -3.769) 7.339 12.666 ( -1.015 -0.418 -9.951) 10.012 12.766 ( 2.054 -0.642 -3.520) 4.125 13.295 ( -5.403 -2.770 -15.612) 16.752 13.466 ( 1.886 0.659 1.137) 2.298 13.688 ( -1.359 0.996 3.375) 3.772 13.836 ( 3.901 -0.655 -1.888) 4.383 13.958 ( -1.916 1.148 -3.790) 4.399 15.622 ( -5.934 1.556 1.827) 6.401 16.407 ( -2.104 2.877 0.076) 3.565 16.662 ( 0.735 1.130 7.273) 7.397 16.807 ( 1.618 -4.109 3.864) 5.868 17.068 ( -4.793 0.252 3.576) 5.986 17.366 ( 0.789 -7.301 8.850) 11.500 18.749 ( 17.761 -8.182 -0.413) 19.559 20.426 ( -19.607 5.446 -1.007) 20.374 20.850 ( 3.473 -3.395 -0.536) 4.886 21.090 ( 1.465 5.018 -0.120) 5.229 21.308 ( -0.081 -3.484 -2.139) 4.089 21.559 ( 5.314 0.835 -6.757) 8.637 21.900 ( 6.202 5.978 -7.658) 11.526 22.395 ( 0.810 -2.102 -9.600) 9.861 22.812 ( -11.497 10.429 0.927) 15.550 23.100 ( -0.968 -5.128 12.480) 13.527 23.457 ( 0.905 8.374 -2.554) 8.801 24.075 ( 1.469 -4.058 2.383) 4.930 25.173 ( -0.926 -4.778 11.513) 12.500 25.574 ( -1.101 5.555 5.319) 7.769 26.288 ( 4.828 0.055 -7.599) 9.003 26.777 ( -1.136 -1.706 -5.627) 5.989 26.819 ( 1.408 -4.338 -8.731) 9.850 27.112 ( 2.643 -4.712 -2.526) 5.965 27.209 ( 0.840 8.560 -4.774) 9.837 27.803 ( 1.936 0.442 -8.777) 8.999 28.097 ( 4.233 -3.300 -8.873) 10.370 28.639 ( 0.558 10.784 -5.280) 12.020 28.868 ( 3.476 6.564 -7.810) 10.778 28.964 ( 6.841 -3.870 4.443) 9.029 29.507 ( -4.078 -4.168 -4.367) 7.285 30.215 ( 1.035 -3.169 -0.376) 3.355 30.427 ( -0.424 -1.602 -2.474) 2.978 30.833 ( -1.544 2.956 -1.990) 3.884 31.133 ( -0.088 -0.445 0.638) 0.783 31.783 ( -0.418 2.212 -4.388) 4.932 32.317 ( -3.045 0.008 2.225) 3.771 32.680 ( -3.286 -2.711 10.173) 11.029 46.117 ( -1.712 1.022 10.514) 10.701 46.175 ( -3.496 -0.830 9.087) 9.771 47.912 ( 0.693 -1.758 -2.874) 3.440 48.139 ( 1.216 1.277 -3.103) 3.569 48.236 ( 0.677 2.071 -5.019) 5.472 48.601 ( 3.288 -0.245 -3.075) 4.509 48.863 ( 0.370 0.102 -2.289) 2.321 49.482 ( -0.205 -0.382 -1.010) 1.099 88.007 ( 1.849 -1.615 -1.282) 2.770 88.036 ( -0.711 1.173 -2.772) 3.093 89.013 ( -0.734 0.640 3.557) 3.688 89.165 ( -3.891 0.436 1.872) 4.340 89.563 ( -4.778 0.635 -5.116) 7.029 90.428 ( 12.007 -18.975 -8.355) 23.958 91.507 ( -6.591 3.213 3.885) 8.298 92.330 ( -0.695 7.323 14.017) 15.830 97.475 ( -0.114 -2.875 0.253) 2.889 97.829 ( -3.770 3.643 1.707) 5.514 97.874 ( 2.415 4.950 3.969) 6.789 98.193 ( -2.535 -2.816 5.801) 6.928 99.526 ( -1.990 6.697 -1.711) 7.193 99.571 ( 2.696 -4.773 0.836) 5.545 99.747 ( 3.180 -8.414 -3.372) 9.606 100.109 ( -0.655 -1.235 -11.280) 11.366 ======================= Grid point 135 (71/118) ======================= q-point: (-0.50 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -2.084 -0.000 17.194) 17.320 3.244 ( 6.432 -0.000 35.330) 35.911 3.334 ( -23.359 -0.000 8.444) 24.838 3.881 ( 13.503 -0.000 6.969) 15.196 4.067 ( -22.472 -0.000 -0.333) 22.475 4.541 ( 2.296 -0.000 11.427) 11.656 4.667 ( 13.778 -0.000 25.635) 29.103 4.831 ( -4.946 -0.000 1.261) 5.104 5.015 ( 2.517 -0.000 0.479) 2.562 5.031 ( 4.243 -0.000 0.129) 4.245 5.453 ( -4.962 -0.000 4.140) 6.462 5.594 ( -3.643 -0.000 17.436) 17.813 5.751 ( 9.829 -0.000 -5.871) 11.449 5.998 ( -4.780 -0.000 -2.119) 5.229 6.047 ( 8.894 -0.000 -9.677) 13.144 6.151 ( -5.022 -0.000 1.570) 5.262 6.304 ( 1.434 -0.000 -3.190) 3.497 6.464 ( -2.660 0.000 -4.291) 5.049 6.469 ( -10.771 -0.000 -3.185) 11.232 6.517 ( -1.132 -0.000 0.637) 1.299 6.903 ( 1.091 -0.000 -0.323) 1.138 7.049 ( 7.573 -0.000 -9.091) 11.832 7.211 ( -2.290 -0.000 -4.741) 5.265 7.471 ( 3.772 -0.000 -12.274) 12.840 7.531 ( 0.994 -0.000 5.956) 6.038 7.778 ( -0.295 -0.000 -6.936) 6.943 7.807 ( -6.148 -0.000 11.001) 12.603 7.997 ( -0.549 -0.000 7.550) 7.570 8.072 ( -5.165 -0.000 -20.004) 20.660 8.399 ( -5.481 -0.000 -7.917) 9.629 8.763 ( -5.019 -0.000 1.501) 5.239 8.863 ( 2.512 -0.000 -11.310) 11.585 9.025 ( 11.333 -0.000 16.039) 19.639 9.079 ( 1.612 -0.000 -1.700) 2.342 9.490 ( 1.062 -0.000 4.465) 4.590 10.076 ( -5.017 -0.000 -1.671) 5.288 10.121 ( 9.428 -0.000 -5.455) 10.892 10.277 ( -5.784 -0.000 -1.373) 5.945 10.791 ( 11.085 -0.000 0.490) 11.096 11.854 ( -5.164 -0.000 -3.707) 6.357 12.215 ( 7.219 -0.000 -1.316) 7.338 12.381 ( 4.474 -0.000 -4.999) 6.709 12.685 ( 1.990 -0.000 2.657) 3.320 12.697 ( -0.887 0.000 -10.331) 10.369 13.328 ( -2.158 -0.000 -1.206) 2.472 13.525 ( -0.172 -0.000 -6.413) 6.415 13.579 ( 6.959 -0.000 0.677) 6.992 13.874 ( -0.583 -0.000 -1.081) 1.228 13.996 ( -1.442 -0.000 -4.613) 4.833 15.754 ( -5.084 -0.000 1.041) 5.190 16.404 ( 2.531 -0.000 1.721) 3.061 16.616 ( 2.517 -0.000 5.712) 6.242 16.941 ( 1.355 -0.000 13.023) 13.094 17.018 ( -9.685 -0.000 -7.194) 12.064 17.214 ( -7.401 -0.000 5.703) 9.343 18.410 ( 1.929 -0.000 2.193) 2.920 20.710 ( 2.187 -0.000 -2.989) 3.704 20.767 ( 1.492 -0.000 -0.264) 1.515 21.197 ( -0.535 -0.000 -3.774) 3.812 21.215 ( -2.782 -0.000 0.861) 2.912 21.777 ( -0.479 -0.000 -9.697) 9.709 21.785 ( 9.105 0.000 -0.882) 9.147 22.353 ( 2.532 -0.000 -14.302) 14.524 22.790 ( -3.014 -0.000 23.758) 23.948 23.350 ( -7.925 -0.000 -1.054) 7.994 23.835 ( -7.572 -0.000 -20.265) 21.633 23.907 ( 5.773 -0.000 3.230) 6.615 24.958 ( -3.667 -0.000 14.293) 14.756 25.898 ( -3.795 -0.000 1.367) 4.034 26.220 ( 9.211 -0.000 -1.528) 9.337 26.517 ( -0.082 -0.000 -11.626) 11.627 26.879 ( -0.447 -0.000 -12.944) 12.952 27.103 ( -5.390 -0.000 1.992) 5.747 27.471 ( 3.844 -0.000 -6.073) 7.187 27.750 ( 3.360 -0.000 -8.315) 8.968 27.978 ( 1.946 -0.000 -6.248) 6.545 28.514 ( 5.179 -0.000 6.513) 8.321 28.834 ( 12.179 -0.000 6.136) 13.637 29.272 ( -5.065 0.000 -7.648) 9.173 29.478 ( -3.856 -0.000 -13.068) 13.625 30.188 ( 0.537 -0.000 -2.263) 2.326 30.254 ( 1.943 0.000 4.804) 5.182 31.055 ( -5.776 -0.000 2.670) 6.363 31.089 ( 0.801 -0.000 -16.071) 16.091 31.766 ( 5.706 -0.000 0.626) 5.740 32.370 ( -3.843 -0.000 3.127) 4.955 32.607 ( -0.752 -0.000 12.288) 12.311 46.131 ( -0.366 -0.000 11.392) 11.397 46.145 ( -4.300 -0.000 9.085) 10.051 47.880 ( 0.302 -0.000 -2.962) 2.977 48.166 ( 1.318 -0.000 -3.974) 4.187 48.313 ( 0.313 -0.000 -6.574) 6.581 48.511 ( 4.762 -0.000 0.403) 4.779 48.848 ( 1.008 -0.000 -0.932) 1.373 49.509 ( -1.218 -0.000 -2.792) 3.046 87.951 ( 0.625 -0.000 -1.652) 1.766 88.112 ( -1.520 -0.000 -3.636) 3.941 89.061 ( -0.061 -0.000 4.737) 4.737 89.172 ( -0.830 -0.000 4.193) 4.274 89.784 ( 7.818 -0.000 -3.053) 8.393 89.805 ( -10.688 -0.000 -4.394) 11.556 91.653 ( -4.689 -0.000 1.235) 4.849 92.364 ( 8.665 -0.000 12.842) 15.492 97.416 ( -0.605 -0.000 -0.180) 0.631 97.922 ( -2.498 -0.000 4.716) 5.337 97.972 ( 3.734 -0.000 3.155) 4.888 98.150 ( -2.388 -0.000 6.739) 7.150 99.258 ( 2.369 -0.000 0.254) 2.382 99.494 ( 0.434 -0.000 -1.842) 1.893 99.755 ( -2.912 -0.000 -3.416) 4.489 100.322 ( -3.018 -0.000 -15.991) 16.274 ======================= Grid point 137 (72/118) ======================= q-point: (-0.33 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.472 -1.794 21.893) 21.971 3.004 ( -24.487 -3.710 13.576) 28.244 3.300 ( -12.016 8.511 26.382) 30.213 3.647 ( -22.546 -1.795 3.239) 22.848 4.225 ( 13.692 -10.335 6.070) 18.196 4.539 ( -4.138 7.042 0.879) 8.215 4.807 ( -4.115 -7.966 -1.508) 9.092 4.956 ( 1.612 -1.260 21.722) 21.818 5.062 ( 1.043 -1.629 -0.825) 2.103 5.140 ( 3.291 -0.013 9.925) 10.457 5.393 ( 3.378 3.659 2.607) 5.621 5.651 ( 6.714 2.557 7.419) 10.327 5.830 ( 3.642 4.415 -4.427) 7.235 6.006 ( -11.697 0.115 4.235) 12.440 6.045 ( 8.555 -1.328 6.984) 11.123 6.150 ( 9.386 1.733 -10.568) 14.240 6.323 ( -0.305 -0.573 0.516) 0.829 6.351 ( 1.476 0.675 0.298) 1.650 6.430 ( 0.896 -4.130 -1.785) 4.587 6.564 ( 0.745 -2.825 3.230) 4.355 6.916 ( 0.980 2.063 -0.073) 2.285 7.057 ( -0.473 3.908 -9.037) 9.857 7.197 ( 4.470 0.446 -4.394) 6.284 7.325 ( -3.164 8.537 -11.013) 14.289 7.541 ( -4.469 -0.556 4.465) 6.341 7.724 ( -3.124 -0.970 -11.187) 11.655 7.754 ( -2.859 -1.949 -6.056) 6.975 7.990 ( 1.808 -0.898 -3.901) 4.392 8.087 ( 2.365 -6.083 2.496) 6.987 8.363 ( 3.041 -2.718 -7.022) 8.121 8.653 ( -9.099 1.080 7.226) 11.669 8.881 ( 3.839 0.292 -5.045) 6.346 9.076 ( 0.865 -0.875 -6.906) 7.015 9.312 ( 11.773 -1.594 15.785) 19.756 9.514 ( 2.086 3.723 4.899) 6.497 9.904 ( -8.440 4.223 -9.153) 13.147 10.098 ( -9.045 -2.423 -1.707) 9.519 10.324 ( 9.993 0.902 -2.585) 10.361 10.938 ( 5.675 -0.323 -3.813) 6.845 11.750 ( -4.309 -0.021 -3.037) 5.272 12.331 ( 7.507 2.410 1.274) 7.986 12.453 ( 5.107 -0.498 -3.424) 6.168 12.630 ( -2.472 -1.611 -9.962) 10.390 12.721 ( 0.194 -1.861 1.143) 2.193 13.237 ( -4.423 -1.236 -13.531) 14.290 13.520 ( 1.264 2.510 3.999) 4.888 13.678 ( 2.003 -1.790 -1.122) 2.911 13.860 ( 2.494 2.049 -1.928) 3.760 13.972 ( 0.947 -0.017 -2.736) 2.896 15.661 ( -5.105 1.059 1.926) 5.558 16.442 ( 0.422 -0.049 0.344) 0.546 16.685 ( 2.278 0.697 5.878) 6.342 16.806 ( -5.654 3.332 0.042) 6.563 17.038 ( -4.336 -3.872 2.649) 6.388 17.176 ( -1.352 -4.224 12.759) 13.508 18.584 ( 14.967 -3.747 0.276) 15.431 20.549 ( -20.741 3.156 -2.392) 21.115 20.752 ( 2.392 -2.484 -2.243) 4.114 21.192 ( 0.261 -0.316 -2.809) 2.839 21.258 ( 5.774 1.532 -0.482) 5.993 21.669 ( 1.133 6.049 -8.368) 10.387 21.947 ( 6.835 -2.446 -4.391) 8.484 22.352 ( 3.107 -0.428 -8.858) 9.397 22.870 ( -2.640 -3.059 21.513) 21.889 23.109 ( -14.260 3.630 -5.596) 15.743 23.653 ( -0.595 5.150 -10.297) 11.528 23.977 ( -1.112 -2.743 2.625) 3.957 25.021 ( -0.240 -4.273 14.447) 15.068 25.776 ( -5.181 6.501 0.269) 8.317 26.338 ( 6.324 4.092 -5.108) 9.101 26.540 ( 2.091 -10.568 -8.611) 13.791 26.806 ( -0.095 0.241 -11.966) 11.968 27.043 ( -3.554 -1.033 2.825) 4.656 27.440 ( 1.605 6.494 -7.817) 10.288 27.786 ( 3.477 -1.539 -8.439) 9.256 28.016 ( 4.763 -2.112 -7.501) 9.133 28.635 ( 3.667 -2.972 6.006) 7.639 29.060 ( 6.359 6.787 3.922) 10.093 29.098 ( 1.567 5.394 -6.567) 8.642 29.375 ( -5.163 -4.924 -9.211) 11.651 30.187 ( 2.376 1.325 -1.061) 2.920 30.335 ( 1.835 -4.392 -2.132) 5.215 30.942 ( -2.225 5.052 -3.436) 6.503 31.070 ( -1.580 -4.258 -1.396) 4.751 31.824 ( 2.031 0.852 -3.908) 4.486 32.317 ( -4.490 0.022 5.970) 7.470 32.642 ( -2.023 -0.477 10.071) 10.283 46.114 ( -4.757 -0.541 9.312) 10.471 46.182 ( 0.537 0.654 10.560) 10.594 47.879 ( 0.625 -0.695 -2.720) 2.876 48.165 ( 1.240 0.599 -3.891) 4.128 48.275 ( -0.350 0.837 -5.794) 5.864 48.598 ( 5.077 0.022 -1.660) 5.342 48.862 ( 0.974 -0.106 -1.284) 1.615 49.476 ( -1.092 -0.098 -2.226) 2.481 87.964 ( 0.979 -1.118 -1.381) 2.028 88.065 ( -1.436 0.687 -3.209) 3.582 89.049 ( -1.736 1.544 3.511) 4.210 89.166 ( -2.352 -0.182 3.300) 4.056 89.625 ( -5.263 4.037 -2.567) 7.113 89.975 ( 5.935 -13.392 -4.422) 15.301 91.557 ( -7.155 0.861 3.763) 8.130 92.541 ( 9.395 6.021 10.001) 14.985 97.420 ( 0.151 -1.204 0.056) 1.215 97.891 ( -2.963 1.262 4.606) 5.620 97.992 ( -0.283 2.671 2.150) 3.441 98.172 ( 1.193 0.828 7.289) 7.432 99.355 ( 3.508 -7.129 -0.124) 7.946 99.529 ( 0.764 -5.658 -2.003) 6.050 99.672 ( -2.831 3.140 -2.124) 4.732 100.165 ( -4.738 2.409 -14.423) 15.371 ======================= Grid point 138 (73/118) ======================= q-point: (-0.17 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -2.428 -3.750 22.141) 22.587 2.727 ( -23.634 -4.681 16.529) 29.218 2.944 ( -24.423 -2.373 14.548) 28.527 3.524 ( -2.618 2.919 24.451) 24.764 4.399 ( -4.075 -0.345 -1.106) 4.237 4.551 ( -1.606 -10.378 5.003) 11.632 4.787 ( -4.716 -5.940 0.186) 7.587 4.945 ( -7.613 3.398 15.591) 17.680 5.050 ( -0.584 4.693 -3.530) 5.902 5.122 ( -3.206 -1.315 6.421) 7.296 5.523 ( 3.246 -4.037 -1.753) 5.469 5.707 ( -5.905 6.317 4.301) 9.658 5.766 ( 6.819 3.962 0.447) 7.899 5.937 ( 0.289 -0.298 2.057) 2.098 6.197 ( -1.882 4.552 -1.253) 5.083 6.268 ( 10.296 0.140 0.631) 10.317 6.327 ( 7.753 -4.555 1.723) 9.156 6.483 ( 9.740 -0.341 4.065) 10.560 6.587 ( 8.930 -0.910 -1.382) 9.082 6.695 ( 6.170 -2.858 5.625) 8.825 6.859 ( 2.346 4.639 0.293) 5.207 6.888 ( -4.402 6.557 -6.692) 10.352 7.059 ( -3.257 6.265 -9.356) 11.721 7.344 ( 5.586 -0.562 -7.073) 9.030 7.475 ( -2.410 -0.477 4.045) 4.732 7.650 ( -3.575 0.491 -9.853) 10.493 7.690 ( -1.390 -2.375 -8.002) 8.462 8.041 ( 2.394 -3.221 -3.540) 5.351 8.205 ( 3.886 -2.528 -0.389) 4.653 8.451 ( 3.677 -2.356 -3.523) 5.611 8.522 ( -7.642 0.502 7.042) 10.404 8.912 ( 0.907 -0.864 -1.893) 2.270 9.112 ( 4.679 -3.798 -8.150) 10.137 9.497 ( 4.302 7.209 4.320) 9.442 9.590 ( 2.506 -0.706 8.237) 8.639 9.654 ( -3.001 3.106 -5.178) 6.743 9.970 ( -9.262 -1.597 2.380) 9.695 10.451 ( 10.191 2.014 -8.332) 13.317 10.909 ( -6.397 0.161 -9.495) 11.450 11.704 ( -0.606 -0.755 -0.775) 1.240 12.367 ( 0.596 5.402 2.282) 5.895 12.510 ( 2.864 -1.400 -3.719) 4.898 12.572 ( -2.943 -2.334 -8.380) 9.184 12.779 ( 3.358 -3.112 -1.036) 4.694 13.143 ( -0.497 -1.726 -11.460) 11.600 13.497 ( -1.188 3.270 -0.360) 3.498 13.676 ( -2.386 -0.579 -0.116) 2.458 13.884 ( 2.956 1.603 -0.776) 3.451 14.010 ( 5.728 1.774 -1.643) 6.217 15.600 ( -1.262 2.110 4.885) 5.469 16.394 ( -3.257 2.441 -0.315) 4.083 16.719 ( 0.360 1.242 4.271) 4.463 16.786 ( 0.464 -4.294 3.408) 5.502 16.980 ( -6.228 -1.848 3.813) 7.533 17.332 ( 1.675 -7.160 9.930) 12.357 18.986 ( 23.740 -7.864 -0.896) 25.025 20.061 ( -29.703 4.340 -2.370) 30.112 20.832 ( 2.274 -5.172 -1.666) 5.891 21.159 ( 0.556 5.332 -5.935) 7.998 21.299 ( 1.894 -0.504 -1.074) 2.235 21.625 ( 3.233 1.074 -6.696) 7.513 21.990 ( 1.563 3.403 -9.065) 9.808 22.384 ( 4.248 -0.032 -4.328) 6.064 22.759 ( -8.915 7.554 2.694) 11.992 23.064 ( -0.539 -8.830 16.064) 18.338 23.571 ( 2.967 6.290 -3.994) 8.020 23.988 ( -4.860 -6.621 0.970) 8.270 25.152 ( -0.603 -4.580 12.952) 13.751 25.615 ( -4.460 4.331 2.375) 6.655 26.295 ( -0.350 1.179 -12.006) 12.069 26.704 ( 4.348 -5.877 -1.940) 7.564 26.781 ( 1.981 -2.171 -10.468) 10.873 27.053 ( -0.098 -5.087 -0.529) 5.115 27.318 ( 0.745 8.804 -6.750) 11.119 27.805 ( 2.505 0.336 -7.917) 8.310 28.109 ( 6.496 -2.593 -8.714) 11.174 28.748 ( 1.135 3.588 -0.057) 3.764 28.847 ( -3.532 0.862 -5.073) 6.241 29.068 ( -3.570 6.989 -9.173) 12.072 29.461 ( 8.196 -2.966 3.796) 9.507 30.232 ( 3.392 -0.930 -0.657) 3.578 30.377 ( -0.162 -1.878 -4.286) 4.682 30.864 ( 1.677 2.433 -3.949) 4.932 31.134 ( 1.605 -2.863 8.533) 9.142 31.760 ( -3.532 2.711 -7.807) 8.987 32.291 ( -1.793 0.035 6.131) 6.388 32.642 ( -4.129 -0.627 9.222) 10.124 46.088 ( -4.924 -1.116 9.663) 10.902 46.223 ( 0.565 2.006 9.540) 9.764 47.892 ( 0.860 -1.203 -2.600) 2.992 48.155 ( 0.812 0.984 -3.691) 3.905 48.240 ( 0.505 0.547 -4.988) 5.043 48.638 ( 2.074 1.362 -4.422) 5.070 48.866 ( 0.751 0.497 -1.866) 2.072 49.467 ( 0.239 -1.048 -0.849) 1.369 88.003 ( 1.647 -2.682 -1.470) 3.473 88.021 ( -0.830 0.955 -2.624) 2.913 89.029 ( -0.736 0.639 5.327) 5.415 89.127 ( -3.120 1.085 2.445) 4.110 89.511 ( -1.733 2.730 -1.361) 3.508 90.233 ( 1.278 -19.280 -8.532) 21.122 91.448 ( -5.872 1.353 5.546) 8.190 92.582 ( 5.233 13.661 8.966) 17.158 97.450 ( 0.723 -2.002 0.496) 2.186 97.824 ( -3.429 3.431 2.856) 5.629 97.961 ( -0.617 1.693 2.742) 3.281 98.207 ( 1.523 2.810 6.962) 7.661 99.513 ( 1.686 -7.137 -1.063) 7.410 99.573 ( -1.968 3.280 0.215) 3.831 99.661 ( 3.577 -10.620 -3.203) 11.655 100.002 ( -3.962 0.329 -11.136) 11.824 ======================= Grid point 143 (74/118) ======================= q-point: (-0.33 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -6.981 0.000 18.420) 19.698 2.672 ( -12.810 0.000 24.387) 27.547 2.861 ( -39.172 0.000 3.035) 39.289 3.651 ( 0.323 -0.000 30.924) 30.925 4.344 ( 1.981 -0.000 1.421) 2.438 4.514 ( -13.251 0.000 6.221) 14.639 4.569 ( 1.813 -0.000 -5.466) 5.759 5.007 ( -4.758 0.000 12.660) 13.524 5.075 ( 0.270 -0.000 3.379) 3.389 5.212 ( -1.780 0.000 7.841) 8.040 5.433 ( 1.946 -0.000 -4.376) 4.789 5.805 ( -1.547 0.000 -1.453) 2.122 5.867 ( -3.230 0.000 15.428) 15.762 5.898 ( 3.234 -0.000 -11.700) 12.139 6.225 ( -5.233 0.000 -0.963) 5.321 6.267 ( 12.051 -0.000 8.388) 14.683 6.323 ( 8.861 -0.000 -7.469) 11.589 6.439 ( 5.137 -0.000 3.617) 6.283 6.560 ( 12.059 -0.000 -1.316) 12.130 6.634 ( 14.942 -0.000 13.840) 20.367 6.930 ( -4.488 0.000 -2.309) 5.047 6.989 ( -3.118 0.000 -4.682) 5.626 7.251 ( -7.719 0.000 -14.785) 16.679 7.267 ( 4.674 -0.000 -8.201) 9.440 7.488 ( -6.229 0.000 5.454) 8.279 7.635 ( 8.188 -0.000 -12.387) 14.849 7.654 ( -0.749 0.000 -11.058) 11.083 7.983 ( -2.794 0.000 0.376) 2.820 8.161 ( 6.968 -0.000 3.571) 7.830 8.411 ( 7.041 -0.000 -5.750) 9.090 8.538 ( -10.499 0.000 11.301) 15.425 8.891 ( -1.387 0.000 -5.123) 5.307 9.063 ( 5.828 -0.000 -7.655) 9.621 9.554 ( 8.571 -0.000 17.729) 19.692 9.622 ( 4.754 -0.000 3.885) 6.139 9.723 ( -10.430 0.000 -13.383) 16.967 9.937 ( -7.821 0.000 2.497) 8.210 10.479 ( 10.135 -0.000 -6.889) 12.254 10.916 ( -4.972 0.000 -11.031) 12.100 11.688 ( -0.841 0.000 -2.765) 2.890 12.488 ( 0.757 -0.000 -5.631) 5.682 12.492 ( 7.221 -0.000 -0.000) 7.221 12.519 ( -3.445 0.000 -6.845) 7.663 12.702 ( -0.811 0.000 4.274) 4.350 13.122 ( -0.220 0.000 -11.354) 11.356 13.571 ( -0.073 0.000 3.794) 3.795 13.636 ( -2.783 0.000 -5.518) 6.180 13.923 ( 4.122 -0.000 0.091) 4.123 14.033 ( 5.819 -0.000 -1.358) 5.975 15.632 ( -0.887 0.000 4.381) 4.470 16.426 ( -2.415 0.000 -0.399) 2.448 16.739 ( 0.381 -0.000 3.655) 3.675 16.743 ( -2.538 0.000 -0.128) 2.542 16.934 ( -6.576 0.000 4.092) 7.745 17.221 ( 1.698 -0.000 13.938) 14.041 18.878 ( 23.179 -0.000 -0.365) 23.182 20.123 ( -29.767 0.000 -3.901) 30.021 20.758 ( 1.651 -0.000 -2.000) 2.593 21.205 ( 2.542 -0.000 -2.078) 3.283 21.328 ( 1.611 -0.000 -5.108) 5.356 21.655 ( -0.811 0.000 -10.355) 10.386 22.013 ( 4.326 -0.000 -5.376) 6.900 22.404 ( 6.273 -0.000 -5.173) 8.131 22.886 ( -11.062 0.000 -1.120) 11.118 22.898 ( -3.292 0.000 21.654) 21.903 23.665 ( 2.447 -0.000 -5.700) 6.203 23.885 ( -8.328 0.000 1.921) 8.546 25.073 ( 0.950 -0.000 15.565) 15.594 25.701 ( -7.853 0.000 -2.331) 8.192 26.326 ( -2.756 0.000 -16.212) 16.445 26.583 ( 11.025 -0.000 0.308) 11.029 26.750 ( 0.396 -0.000 -10.741) 10.748 26.996 ( -2.734 0.000 4.121) 4.946 27.456 ( -0.304 0.000 -8.815) 8.820 27.800 ( 3.755 -0.000 -8.104) 8.932 28.068 ( 7.007 -0.000 -7.094) 9.971 28.677 ( 0.235 -0.000 6.595) 6.599 28.972 ( -9.612 0.000 -6.536) 11.624 29.188 ( -5.230 0.000 -11.394) 12.537 29.407 ( 16.198 -0.000 4.177) 16.728 30.226 ( 1.629 -0.000 -2.388) 2.890 30.334 ( 3.861 -0.000 -3.429) 5.164 30.915 ( -1.515 0.000 -9.850) 9.966 31.073 ( 2.814 -0.000 13.936) 14.217 31.797 ( -3.139 0.000 -8.147) 8.731 32.292 ( -2.137 0.000 8.753) 9.010 32.637 ( -3.385 0.000 8.309) 8.972 46.072 ( -4.916 0.000 9.559) 10.749 46.252 ( 1.242 -0.000 9.413) 9.494 47.876 ( 0.975 -0.000 -2.416) 2.605 48.169 ( 0.982 -0.000 -4.041) 4.159 48.246 ( -0.483 0.000 -5.276) 5.298 48.659 ( 3.139 -0.000 -4.319) 5.339 48.873 ( 1.045 -0.000 -1.421) 1.764 49.453 ( -0.273 0.000 -1.224) 1.254 87.964 ( 0.793 -0.000 -1.074) 1.335 88.035 ( -0.953 0.000 -2.913) 3.065 89.040 ( -1.603 0.000 5.161) 5.405 89.139 ( -2.726 0.000 3.207) 4.209 89.616 ( -1.461 0.000 1.145) 1.856 89.900 ( 1.416 -0.000 -7.216) 7.354 91.465 ( -6.721 0.000 5.331) 8.578 92.789 ( 9.743 -0.000 5.440) 11.159 97.422 ( 0.925 -0.000 0.457) 1.032 97.878 ( -2.518 0.000 4.933) 5.538 97.972 ( -3.661 0.000 1.466) 3.944 98.275 ( 4.540 -0.000 7.034) 8.372 99.354 ( 2.907 -0.000 -1.271) 3.173 99.482 ( -0.064 0.000 -2.031) 2.032 99.642 ( -2.343 0.000 -0.035) 2.343 100.036 ( -4.810 0.000 -11.566) 12.526 ======================= Grid point 144 (75/118) ======================= q-point: (-0.17 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -32.533 -3.741 16.353) 36.604 2.398 ( -19.647 -3.549 24.842) 31.871 2.879 ( 7.362 -6.385 23.545) 25.482 3.790 ( 5.308 5.414 27.235) 28.271 4.250 ( -9.906 -3.127 -3.218) 10.875 4.326 ( -12.669 -1.057 14.540) 19.314 4.777 ( 9.339 -5.368 3.545) 11.340 4.977 ( -2.582 1.776 9.586) 10.085 5.067 ( -2.374 1.841 3.780) 4.828 5.144 ( -1.486 5.797 5.094) 7.859 5.480 ( 3.127 -3.802 -9.226) 10.457 5.688 ( -7.975 4.386 7.253) 11.638 5.855 ( 1.131 1.660 -3.833) 4.327 5.912 ( -0.988 -2.324 -2.733) 3.721 6.101 ( -9.236 -1.056 2.520) 9.632 6.402 ( 0.011 3.398 7.517) 8.249 6.454 ( 10.304 0.877 -6.508) 12.219 6.589 ( 2.396 -4.420 2.008) 5.414 6.708 ( -2.601 4.462 -6.650) 8.420 6.755 ( 12.886 0.239 -7.043) 14.687 6.891 ( -5.867 -2.069 -12.346) 13.825 6.918 ( -1.493 3.337 -2.734) 4.565 7.199 ( 16.227 0.757 8.183) 18.189 7.296 ( 1.456 -0.821 -8.128) 8.298 7.403 ( -4.475 -0.463 -0.311) 4.509 7.593 ( -2.163 1.131 -4.523) 5.139 7.806 ( 13.685 2.930 -0.313) 13.999 7.991 ( 3.146 -5.658 -6.933) 9.485 8.240 ( 0.018 -0.603 -0.143) 0.620 8.431 ( -6.579 0.860 12.261) 13.941 8.508 ( 4.715 -1.432 -2.887) 5.712 8.850 ( -1.230 -2.225 -3.979) 4.722 9.176 ( 9.065 -0.583 -6.171) 10.982 9.440 ( -10.774 3.350 -14.137) 18.088 9.677 ( 4.849 5.255 0.363) 7.160 9.784 ( 4.879 -2.656 15.091) 16.081 9.854 ( -3.984 -0.605 3.942) 5.637 10.587 ( 7.585 1.383 -10.090) 12.698 10.674 ( -13.930 0.663 -13.922) 19.705 11.705 ( 3.020 -1.171 -1.610) 3.617 12.378 ( -4.681 3.197 -5.283) 7.749 12.434 ( -4.936 -1.873 -7.885) 9.490 12.582 ( 4.169 2.905 1.172) 5.214 12.776 ( 2.773 -4.901 0.279) 5.638 13.164 ( 8.427 -0.275 -0.927) 8.482 13.512 ( -1.821 3.839 -3.734) 5.657 13.603 ( -2.079 -2.468 -2.648) 4.174 13.980 ( 3.723 3.335 2.581) 5.626 14.112 ( 4.931 0.727 -3.194) 5.920 15.668 ( 3.011 1.246 6.356) 7.143 16.368 ( -2.848 1.405 0.834) 3.283 16.717 ( -2.432 0.011 -1.764) 3.005 16.758 ( -0.321 -2.685 3.168) 4.165 16.881 ( -4.175 -2.479 7.969) 9.332 17.328 ( 0.885 -4.040 8.587) 9.531 19.331 ( 26.910 -3.941 0.237) 27.198 19.566 ( -32.358 1.992 -2.119) 32.488 20.794 ( 1.183 -3.441 -1.553) 3.957 21.205 ( 0.232 5.346 -6.682) 8.560 21.303 ( 0.796 -2.018 -2.602) 3.388 21.606 ( -0.037 -1.054 -9.792) 9.849 21.978 ( -2.362 2.987 -9.156) 9.917 22.475 ( 6.504 1.894 -6.811) 9.606 22.765 ( -2.679 4.339 11.951) 12.994 23.002 ( -2.128 -9.070 16.679) 19.105 23.672 ( 1.610 3.267 -1.614) 3.984 23.772 ( -8.177 -6.600 0.252) 10.511 25.162 ( -1.302 -1.587 14.769) 14.911 25.543 ( -8.049 0.252 -0.076) 8.054 26.216 ( -0.753 0.143 -15.921) 15.940 26.734 ( 1.850 -1.888 -9.570) 9.928 26.769 ( 8.693 -1.717 -0.610) 8.882 27.000 ( -0.501 -2.601 2.398) 3.573 27.367 ( -1.713 4.461 -7.377) 8.789 27.818 ( 2.848 0.118 -8.120) 8.606 28.167 ( 7.447 -0.820 -6.724) 10.067 28.713 ( -3.593 -5.434 3.425) 7.360 28.743 ( -9.920 2.806 -6.631) 12.258 29.031 ( -2.588 6.746 -9.158) 11.665 29.633 ( 9.560 0.024 -3.357) 10.133 30.241 ( 0.431 -1.464 -2.227) 2.700 30.414 ( 7.155 1.667 0.033) 7.347 30.880 ( 1.913 -1.156 -5.510) 5.946 31.223 ( 4.782 -0.945 14.136) 14.953 31.659 ( -5.821 1.402 -9.808) 11.491 32.323 ( 1.315 0.424 7.162) 7.294 32.609 ( -4.394 0.098 8.639) 9.693 46.043 ( -4.430 -0.638 10.041) 10.993 46.298 ( 0.471 1.589 7.895) 8.067 47.888 ( 1.330 -0.490 -2.203) 2.620 48.158 ( 0.440 0.744 -3.968) 4.061 48.221 ( 0.154 -0.650 -4.725) 4.772 48.649 ( -0.258 1.406 -6.150) 6.314 48.879 ( 0.903 0.410 -1.887) 2.131 49.462 ( 0.960 -0.828 -0.048) 1.269 87.983 ( 0.592 -1.731 -1.518) 2.377 88.012 ( 0.140 0.079 -2.110) 2.116 89.088 ( 3.905 0.615 9.168) 9.984 89.103 ( -2.527 0.623 3.115) 4.059 89.556 ( 0.048 5.215 1.102) 5.331 89.963 ( -2.450 -13.124 -8.286) 15.713 91.398 ( -4.124 -0.352 6.062) 7.340 92.863 ( 4.379 10.971 2.715) 12.120 97.453 ( 1.479 -0.957 1.003) 2.027 97.829 ( -3.064 3.594 3.177) 5.692 97.931 ( -3.055 -2.114 1.924) 4.184 98.344 ( 3.481 4.953 5.647) 8.279 99.430 ( 0.745 -6.695 -1.467) 6.894 99.528 ( 0.173 -5.711 -3.216) 6.557 99.628 ( 2.326 -1.536 2.996) 4.092 99.912 ( -2.865 1.750 -8.169) 8.832 ======================= Grid point 150 (76/118) ======================= q-point: (-0.17 -0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -9.759 0.000 35.558) 36.873 2.240 ( -12.827 0.000 33.040) 35.443 3.061 ( 6.134 -0.000 19.878) 20.803 3.892 ( -11.354 0.000 31.266) 33.264 4.115 ( -2.656 0.000 -1.926) 3.281 4.368 ( 8.386 -0.000 19.580) 21.300 4.932 ( 10.433 -0.000 0.265) 10.436 4.987 ( -1.838 0.000 12.097) 12.236 5.055 ( -3.769 0.000 4.938) 6.212 5.197 ( -0.583 0.000 7.091) 7.115 5.483 ( 5.974 -0.000 -13.141) 14.436 5.625 ( -7.335 0.000 7.340) 10.377 5.826 ( -2.166 0.000 -12.644) 12.828 5.851 ( -3.661 0.000 2.163) 4.253 5.936 ( -8.523 0.000 2.257) 8.817 6.411 ( -9.722 0.000 9.030) 13.269 6.485 ( -4.864 0.000 -10.543) 11.611 6.525 ( -13.548 0.000 -14.106) 19.558 6.628 ( 8.899 -0.000 -5.099) 10.256 6.746 ( 6.977 -0.000 -0.578) 7.001 6.840 ( -4.392 0.000 -5.950) 7.395 7.023 ( 11.796 -0.000 -12.253) 17.008 7.319 ( -4.069 0.000 2.592) 4.825 7.335 ( 2.276 -0.000 -6.392) 6.785 7.418 ( 1.868 -0.000 -4.459) 4.835 7.602 ( 7.838 -0.000 8.532) 11.585 7.933 ( 2.872 -0.000 -11.916) 12.257 8.086 ( 3.796 -0.000 2.979) 4.825 8.204 ( 4.998 -0.000 -0.969) 5.091 8.413 ( -2.316 0.000 10.976) 11.218 8.550 ( 2.710 -0.000 -3.678) 4.568 8.837 ( 1.529 -0.000 0.902) 1.775 9.217 ( -11.121 0.000 -10.420) 15.240 9.262 ( 3.318 -0.000 -11.884) 12.338 9.752 ( 1.060 -0.000 -10.041) 10.097 9.835 ( 0.959 -0.000 3.877) 3.993 9.897 ( 2.173 -0.000 14.285) 14.449 10.379 ( -7.607 0.000 -11.057) 13.421 10.697 ( 6.037 -0.000 -4.561) 7.566 11.749 ( 3.196 -0.000 -1.270) 3.439 12.291 ( -4.570 0.000 -4.887) 6.691 12.318 ( -2.911 0.000 -5.314) 6.059 12.654 ( 3.140 -0.000 -7.716) 8.330 12.782 ( 1.706 -0.000 2.324) 2.883 13.366 ( 11.843 -0.000 4.787) 12.774 13.475 ( -2.171 0.000 -4.808) 5.275 13.562 ( 0.833 -0.000 -4.005) 4.091 14.095 ( 4.362 -0.000 2.740) 5.151 14.145 ( 1.072 -0.000 -6.017) 6.112 15.762 ( 3.248 -0.000 5.447) 6.342 16.346 ( -1.677 0.000 2.270) 2.823 16.643 ( -4.096 0.000 -1.640) 4.412 16.757 ( 1.450 -0.000 2.035) 2.499 16.871 ( -0.357 0.000 11.492) 11.498 17.327 ( -1.630 0.000 5.040) 5.297 19.053 ( -28.708 0.000 2.379) 28.806 19.775 ( 27.495 -0.000 2.490) 27.608 20.777 ( 0.178 -0.000 -0.812) 0.831 21.194 ( -3.649 0.000 -6.447) 7.408 21.293 ( 3.524 -0.000 -2.622) 4.392 21.552 ( 0.290 -0.000 -9.892) 9.897 21.903 ( -3.911 0.000 -8.984) 9.799 22.534 ( 4.247 -0.000 -12.271) 12.986 22.892 ( 3.272 -0.000 17.780) 18.079 22.924 ( -6.644 0.000 13.765) 15.285 23.491 ( -13.638 0.000 1.713) 13.745 23.814 ( 7.277 -0.000 1.401) 7.411 25.189 ( -3.417 0.000 15.659) 16.027 25.406 ( -6.927 0.000 1.987) 7.206 26.159 ( 2.739 -0.000 -15.162) 15.408 26.722 ( 3.219 -0.000 -8.727) 9.302 26.903 ( 8.923 -0.000 -2.939) 9.394 26.997 ( 0.360 -0.000 4.407) 4.422 27.306 ( -4.895 0.000 -6.711) 8.306 27.819 ( 1.885 -0.000 -8.668) 8.871 28.256 ( 6.226 -0.000 -5.587) 8.365 28.553 ( -9.251 0.000 -5.296) 10.660 28.592 ( -6.781 0.000 -0.204) 6.784 29.049 ( 2.102 -0.000 -5.014) 5.436 29.691 ( 2.388 -0.000 -10.284) 10.558 30.235 ( 1.105 -0.000 -0.885) 1.416 30.590 ( 8.961 -0.000 0.749) 8.992 30.869 ( 1.198 -0.000 -3.527) 3.724 31.270 ( -7.241 0.000 3.484) 8.036 31.615 ( 5.938 -0.000 -3.264) 6.776 32.391 ( 2.640 -0.000 2.153) 3.407 32.595 ( -2.066 0.000 12.354) 12.526 46.020 ( -3.454 0.000 10.478) 11.033 46.337 ( -1.301 0.000 6.131) 6.268 47.902 ( 1.814 -0.000 -1.896) 2.624 48.151 ( 0.135 -0.000 -3.901) 3.903 48.194 ( 0.088 -0.000 -4.446) 4.447 48.613 ( -1.367 0.000 -5.659) 5.822 48.885 ( 0.630 -0.000 -2.328) 2.411 49.476 ( 1.071 -0.000 0.268) 1.104 87.975 ( 0.520 -0.000 -1.171) 1.281 88.009 ( 0.687 -0.000 -1.877) 1.999 89.073 ( -2.701 0.000 2.790) 3.883 89.275 ( 9.289 -0.000 7.886) 12.185 89.633 ( 5.261 -0.000 6.493) 8.356 89.791 ( -2.271 0.000 -9.048) 9.329 91.367 ( -2.350 0.000 6.463) 6.877 92.967 ( -2.133 0.000 -2.615) 3.374 97.482 ( 1.987 -0.000 1.605) 2.554 97.839 ( -4.248 0.000 -0.469) 4.274 97.842 ( -2.424 0.000 4.209) 4.857 98.442 ( 0.901 -0.000 2.317) 2.486 99.379 ( -0.554 0.000 -1.367) 1.475 99.488 ( 1.757 -0.000 -2.313) 2.904 99.707 ( 6.484 -0.000 5.949) 8.800 99.872 ( 0.284 -0.000 -4.913) 4.922 ======================= Grid point 151 (77/118) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.500 -0.000 35.663) 35.667 3.373 ( 2.357 -0.000 36.952) 37.027 3.426 ( -8.724 0.000 13.003) 15.659 4.192 ( -2.086 0.000 2.100) 2.960 4.558 ( 4.184 -0.000 5.877) 7.214 4.906 ( -1.844 0.000 -5.168) 5.487 5.005 ( -12.796 0.000 -5.494) 13.925 5.094 ( -0.315 0.000 -10.893) 10.897 5.226 ( 5.437 -0.000 9.050) 10.557 5.303 ( 0.591 -0.000 -1.731) 1.829 5.339 ( 5.805 -0.000 6.363) 8.613 5.472 ( 2.671 -0.000 -8.384) 8.799 5.742 ( -5.780 0.000 14.460) 15.572 5.818 ( 3.069 -0.000 -17.422) 17.690 5.819 ( 10.965 -0.000 6.530) 12.762 5.931 ( 0.950 -0.000 4.530) 4.628 6.162 ( 2.000 -0.000 3.352) 3.903 6.324 ( -15.161 0.000 11.656) 19.123 6.570 ( 2.559 -0.000 -6.535) 7.018 6.647 ( -4.903 0.000 -0.913) 4.987 6.848 ( 6.928 -0.000 -2.491) 7.362 7.018 ( -2.229 0.000 0.726) 2.344 7.078 ( -11.629 0.000 -4.025) 12.306 7.127 ( -2.450 0.000 4.154) 4.823 7.504 ( 1.684 -0.000 2.582) 3.082 7.665 ( 4.814 -0.000 -7.806) 9.171 7.828 ( 1.116 -0.000 -3.512) 3.685 8.029 ( -7.877 0.000 -8.280) 11.428 8.106 ( 0.816 -0.000 -2.359) 2.496 8.344 ( 1.439 -0.000 -13.104) 13.182 8.700 ( 6.577 -0.000 -6.034) 8.926 8.717 ( 1.178 -0.000 -0.514) 1.286 8.921 ( -0.980 0.000 -1.674) 1.939 9.381 ( 11.902 -0.000 17.804) 21.416 9.413 ( -4.288 0.000 -4.385) 6.133 9.894 ( -12.758 0.000 -2.595) 13.020 9.898 ( 5.708 -0.000 -6.423) 8.593 10.434 ( -3.374 0.000 -1.255) 3.600 10.933 ( 9.295 -0.000 0.573) 9.312 11.812 ( -2.291 0.000 6.797) 7.173 12.225 ( 4.590 -0.000 2.316) 5.142 12.376 ( 7.410 -0.000 -2.085) 7.698 12.444 ( -0.042 0.000 -5.611) 5.612 12.668 ( -1.475 0.000 -7.271) 7.419 13.149 ( -3.400 0.000 -16.675) 17.018 13.436 ( 1.822 -0.000 -1.147) 2.153 13.757 ( -5.479 0.000 -1.114) 5.591 13.806 ( -3.257 0.000 -7.732) 8.390 13.998 ( 0.371 -0.000 4.578) 4.593 15.710 ( -5.878 0.000 -0.128) 5.880 16.398 ( -2.092 0.000 3.525) 4.099 16.743 ( 1.468 -0.000 5.575) 5.765 16.935 ( 4.748 -0.000 1.610) 5.014 17.136 ( -1.771 0.000 2.379) 2.966 17.567 ( 5.178 -0.000 7.476) 9.094 18.736 ( 3.013 -0.000 1.773) 3.496 20.522 ( -0.987 0.000 5.440) 5.529 20.883 ( -1.761 0.000 6.502) 6.736 21.113 ( 1.379 -0.000 2.705) 3.036 21.268 ( 14.556 -0.000 -11.885) 18.792 21.324 ( -2.023 0.000 -4.423) 4.864 21.621 ( -1.162 0.000 -3.163) 3.369 22.161 ( 0.135 -0.000 -16.067) 16.067 22.573 ( -10.303 0.000 -2.661) 10.641 23.422 ( -3.601 0.000 7.409) 8.238 23.461 ( 0.854 -0.000 12.943) 12.971 24.121 ( 5.113 -0.000 1.272) 5.269 25.450 ( -6.057 0.000 12.106) 13.537 25.598 ( 5.327 -0.000 6.983) 8.783 26.052 ( 8.155 -0.000 -5.880) 10.054 26.630 ( 3.760 -0.000 -6.169) 7.224 26.683 ( -4.886 0.000 -12.903) 13.797 27.104 ( -1.252 0.000 1.555) 1.996 27.261 ( 4.612 -0.000 4.035) 6.128 27.600 ( 1.627 -0.000 -9.348) 9.489 28.003 ( -2.223 0.000 -9.828) 10.076 28.271 ( -4.423 0.000 -3.453) 5.611 28.424 ( 4.110 -0.000 -8.088) 9.072 29.109 ( 4.713 -0.000 -2.047) 5.138 29.557 ( 1.897 -0.000 2.778) 3.364 30.365 ( 3.720 -0.000 1.251) 3.924 30.393 ( -9.811 0.000 -6.436) 11.733 30.789 ( -1.060 0.000 -2.406) 2.629 31.146 ( 1.998 -0.000 5.466) 5.820 31.694 ( -1.088 0.000 -3.972) 4.118 32.334 ( -1.403 0.000 -0.704) 1.569 32.898 ( -0.640 0.000 4.387) 4.433 46.255 ( -1.058 0.000 9.192) 9.253 46.410 ( -3.784 0.000 6.426) 7.457 47.916 ( 0.832 -0.000 -1.207) 1.466 48.038 ( 0.915 -0.000 -4.043) 4.145 48.092 ( 0.943 -0.000 -3.527) 3.651 48.519 ( 1.470 -0.000 -3.296) 3.609 48.817 ( -0.104 0.000 -2.164) 2.167 49.489 ( 0.033 -0.000 0.015) 0.037 87.976 ( -0.298 0.000 -0.596) 0.666 87.986 ( 2.194 -0.000 -1.785) 2.828 89.082 ( -1.580 0.000 3.117) 3.495 89.234 ( -4.474 0.000 -0.336) 4.487 89.480 ( -0.736 0.000 -6.874) 6.913 90.408 ( 16.188 -0.000 -2.824) 16.432 91.524 ( -0.795 0.000 5.707) 5.762 92.601 ( -10.863 0.000 1.717) 10.998 97.597 ( 0.666 -0.000 1.296) 1.457 97.693 ( -1.719 0.000 -0.829) 1.908 97.864 ( -1.244 0.000 2.879) 3.136 98.404 ( -3.031 0.000 1.564) 3.410 99.344 ( -0.655 0.000 0.534) 0.845 99.463 ( 0.994 -0.000 -2.728) 2.903 99.838 ( 2.464 -0.000 -1.353) 2.811 100.129 ( 6.738 -0.000 -0.709) 6.775 ======================= Grid point 152 (78/118) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -14.816 -2.939 20.366) 25.356 3.382 ( -1.270 3.997 26.685) 27.012 3.500 ( -8.977 -2.935 33.314) 34.627 4.098 ( -6.473 6.561 5.192) 10.578 4.498 ( -10.118 -2.932 4.796) 11.574 4.827 ( -4.379 2.348 -11.456) 12.487 4.854 ( 0.518 1.187 -11.129) 11.204 5.031 ( 0.353 0.489 -7.805) 7.828 5.197 ( -2.091 9.586 9.316) 13.530 5.288 ( -0.491 0.319 -1.644) 1.745 5.482 ( 5.393 0.692 -1.550) 5.654 5.636 ( 11.794 -4.080 -4.834) 13.383 5.641 ( -8.573 -3.255 9.915) 13.505 5.849 ( 6.993 1.479 -9.345) 11.765 5.953 ( 1.293 -1.735 0.021) 2.164 6.165 ( -11.510 -2.963 7.673) 14.147 6.200 ( 20.852 -3.386 6.965) 22.244 6.290 ( 5.279 -5.587 4.575) 8.945 6.539 ( -4.477 1.536 -0.986) 4.835 6.581 ( 1.400 -0.122 -4.675) 4.882 6.887 ( -5.018 6.021 9.294) 12.158 6.918 ( -1.213 -2.244 -2.153) 3.338 7.047 ( 6.370 1.424 5.474) 8.519 7.118 ( -0.215 -0.628 2.138) 2.239 7.502 ( -0.399 -1.780 -2.235) 2.885 7.604 ( -5.884 1.223 -9.438) 11.189 7.817 ( -8.464 2.840 -5.250) 10.357 7.965 ( 8.912 0.802 -1.634) 9.096 8.078 ( 1.817 -3.665 -5.674) 6.995 8.392 ( 4.401 0.637 -5.700) 7.230 8.682 ( -4.597 0.083 1.669) 4.891 8.799 ( 7.187 -0.193 -3.762) 8.114 8.957 ( 7.103 -1.110 -10.308) 12.567 9.341 ( -3.368 -0.754 3.130) 4.659 9.612 ( -10.407 -1.250 -0.353) 10.488 9.709 ( 9.095 1.208 10.216) 13.731 9.971 ( 4.883 -2.229 -8.035) 9.663 10.316 ( -7.838 1.173 -0.443) 7.938 10.961 ( -3.585 2.318 -4.862) 6.470 11.806 ( -2.000 0.552 6.926) 7.230 12.297 ( -0.150 -0.658 3.985) 4.042 12.432 ( 5.678 1.605 -6.367) 8.681 12.473 ( 2.333 -1.212 -6.671) 7.170 12.631 ( -0.405 -2.300 -5.875) 6.323 13.029 ( 0.348 1.297 -13.432) 13.499 13.433 ( -1.649 -0.627 -1.854) 2.559 13.699 ( -1.050 -0.081 -0.115) 1.059 13.778 ( 3.214 -1.552 -3.891) 5.280 13.993 ( -2.884 1.576 5.038) 6.015 15.642 ( -3.129 -0.795 3.108) 4.482 16.387 ( -2.168 -1.045 3.330) 4.108 16.770 ( -0.829 -0.012 4.606) 4.680 16.994 ( 4.348 3.555 0.274) 5.622 17.113 ( -2.543 -0.331 2.097) 3.312 17.614 ( -0.811 2.120 4.153) 4.733 18.909 ( 18.797 4.039 -0.803) 19.243 20.378 ( -20.618 -1.826 5.634) 21.452 20.823 ( -5.299 -3.068 -1.617) 6.332 21.115 ( 1.795 6.068 0.178) 6.331 21.302 ( 0.411 -2.274 -3.402) 4.113 21.486 ( 13.182 2.790 -5.835) 14.683 21.617 ( 0.793 -3.044 -2.856) 4.248 22.105 ( 1.332 -1.968 -15.387) 15.569 22.548 ( 1.125 -7.094 3.048) 7.803 23.403 ( -1.946 0.555 7.051) 7.335 23.516 ( -0.126 0.999 10.475) 10.523 24.168 ( 1.654 1.871 -1.241) 2.789 25.414 ( -5.467 -1.108 10.908) 12.251 25.711 ( 5.425 2.021 5.579) 8.040 26.151 ( 6.460 1.495 -6.295) 9.143 26.543 ( -6.370 -4.547 -10.502) 13.097 26.661 ( 3.494 0.354 -7.292) 8.093 27.118 ( 1.622 -0.006 1.899) 2.498 27.283 ( 3.035 8.416 -0.707) 8.974 27.609 ( 2.054 -2.644 -7.492) 8.206 27.944 ( 1.098 -0.020 -8.873) 8.941 28.251 ( -2.128 -6.848 -1.586) 7.344 28.478 ( 2.156 -6.672 -9.469) 11.783 29.153 ( 5.783 5.132 -3.421) 8.455 29.593 ( 0.933 1.744 3.066) 3.649 30.238 ( -4.984 -0.767 -0.447) 5.062 30.402 ( 0.423 1.053 -1.460) 1.849 30.766 ( 0.363 0.435 -1.656) 1.750 31.228 ( 3.917 -0.583 6.125) 7.294 31.636 ( -3.745 -0.678 -4.887) 6.194 32.313 ( -1.461 -0.886 0.339) 1.742 32.881 ( -2.846 0.854 4.557) 5.441 46.288 ( -0.658 -0.808 8.547) 8.611 46.372 ( -4.062 0.685 7.589) 8.635 47.907 ( -0.094 1.020 -1.638) 1.932 48.043 ( 1.584 -0.308 -3.881) 4.203 48.104 ( 1.511 -1.035 -3.557) 4.000 48.521 ( 0.601 -0.303 -3.728) 3.788 48.809 ( 0.054 -0.309 -1.789) 1.816 49.490 ( 0.508 0.481 -0.056) 0.701 87.964 ( -0.753 -0.504 -1.588) 1.828 88.019 ( 2.840 0.800 -1.395) 3.264 89.084 ( -0.268 -0.484 3.974) 4.013 89.171 ( -3.938 -0.670 1.802) 4.382 89.447 ( -0.068 -0.093 -5.334) 5.335 90.541 ( 7.915 6.501 -11.473) 15.380 91.531 ( -2.924 -1.521 5.251) 6.200 92.471 ( -6.857 -1.473 8.418) 10.956 97.567 ( -0.867 3.066 0.596) 3.242 97.711 ( -0.663 -4.152 0.164) 4.208 97.886 ( 1.109 -1.403 3.325) 3.776 98.354 ( -2.486 1.885 3.123) 4.414 99.359 ( -1.181 -3.982 0.613) 4.198 99.486 ( 0.475 -3.483 -2.868) 4.536 99.843 ( 1.746 3.551 -2.326) 4.590 100.163 ( 3.846 6.706 -4.209) 8.802 ======================= Grid point 153 (79/118) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -18.775 -3.210 18.563) 26.597 3.285 ( -18.360 7.541 23.230) 30.555 3.528 ( -2.573 2.729 26.677) 26.940 4.002 ( -0.946 2.445 20.915) 21.079 4.468 ( -1.574 0.951 3.282) 3.762 4.652 ( -7.586 -2.358 -10.299) 13.007 4.741 ( -3.937 4.259 -12.074) 13.395 5.018 ( 0.793 2.405 2.450) 3.523 5.103 ( 2.322 4.711 -0.604) 5.287 5.261 ( -2.167 0.312 0.629) 2.278 5.520 ( -0.359 -4.174 -3.063) 5.190 5.576 ( -6.735 -1.879 6.667) 9.661 5.796 ( 4.895 4.754 -3.808) 7.814 5.941 ( 7.599 -3.641 0.586) 8.447 6.046 ( -2.392 -3.026 -0.708) 3.922 6.055 ( 0.465 -5.353 -9.120) 10.585 6.449 ( 1.446 2.552 -4.196) 5.119 6.454 ( 1.161 -8.653 2.100) 8.980 6.502 ( 1.230 0.004 -2.579) 2.857 6.625 ( 4.691 -2.135 -3.552) 6.259 6.865 ( 4.901 5.087 11.833) 13.781 6.928 ( 1.381 0.849 5.053) 5.306 7.076 ( 0.936 0.366 5.284) 5.379 7.288 ( 5.177 -0.223 4.904) 7.135 7.455 ( -0.140 -2.947 -2.476) 3.851 7.569 ( 4.900 0.807 -8.345) 9.711 7.601 ( -2.714 3.676 0.068) 4.570 8.016 ( 1.020 1.750 -3.488) 4.034 8.216 ( 5.823 -1.312 2.934) 6.651 8.402 ( 3.135 0.835 -4.933) 5.904 8.613 ( -4.275 -1.404 2.790) 5.294 8.906 ( 6.107 -0.986 -3.014) 6.881 9.001 ( 4.793 2.380 -14.123) 15.103 9.295 ( -13.011 0.296 -9.687) 16.224 9.417 ( -1.562 -4.835 5.793) 7.705 9.962 ( 7.872 0.184 9.401) 12.263 10.024 ( 0.259 -1.109 4.181) 4.333 10.211 ( 0.525 -0.864 -6.839) 6.914 10.741 ( -13.434 2.010 -9.835) 16.770 11.792 ( -0.597 2.367 4.831) 5.413 12.274 ( -4.281 -2.208 -1.702) 5.109 12.409 ( -0.923 2.247 -10.025) 10.315 12.517 ( 3.805 -0.794 -1.464) 4.154 12.657 ( 1.555 -3.859 -6.275) 7.529 13.035 ( 7.341 2.091 -4.142) 8.685 13.409 ( -2.003 -2.027 0.078) 2.851 13.700 ( 0.238 1.404 0.988) 1.733 13.880 ( 5.354 -2.215 -1.554) 5.998 13.929 ( -3.125 0.071 0.940) 3.264 15.666 ( 1.284 -1.719 6.327) 6.681 16.383 ( -1.962 -1.274 3.875) 4.526 16.756 ( -2.783 -0.051 1.031) 2.968 16.987 ( 2.246 5.862 -0.472) 6.296 17.084 ( -2.144 0.301 3.760) 4.339 17.562 ( -2.176 2.877 1.002) 3.744 19.195 ( 24.944 8.131 -0.854) 26.250 19.987 ( -31.196 -3.557 3.793) 31.626 20.812 ( -2.180 -6.100 -3.481) 7.354 21.036 ( 1.608 8.421 -3.000) 9.083 21.340 ( 1.830 -0.753 0.578) 2.061 21.542 ( 3.891 4.111 -6.265) 8.443 21.667 ( -0.045 -4.837 -5.372) 7.229 22.129 ( 4.301 -4.120 -13.070) 14.363 22.761 ( 7.338 -6.650 11.853) 15.445 23.416 ( 0.756 0.066 5.093) 5.149 23.534 ( -0.450 1.527 8.235) 8.388 24.104 ( -2.971 4.702 -4.883) 7.401 25.392 ( -5.394 -1.752 9.824) 11.343 25.772 ( 3.848 4.097 5.742) 8.036 26.114 ( -1.876 4.520 -7.881) 9.277 26.538 ( 0.841 -7.794 -9.763) 12.521 26.666 ( 2.943 2.000 -7.713) 8.494 27.155 ( 1.613 3.820 -1.294) 4.344 27.191 ( 1.527 4.418 0.200) 4.679 27.641 ( 1.729 -1.737 -6.508) 6.954 27.968 ( 4.984 -0.788 -5.577) 7.521 28.344 ( -0.368 -10.670 -1.169) 10.741 28.561 ( -0.846 -10.214 -9.398) 13.906 29.111 ( 2.280 10.032 -3.914) 11.007 29.582 ( 0.747 1.624 0.702) 1.921 30.254 ( 1.849 -2.166 4.081) 4.977 30.348 ( -2.127 1.763 -3.068) 4.128 30.780 ( 3.009 0.693 -2.023) 3.691 31.343 ( 5.435 -0.646 6.350) 8.384 31.543 ( -6.195 -1.139 -5.249) 8.199 32.315 ( -0.409 -1.474 0.851) 1.751 32.838 ( -3.692 0.850 6.166) 7.237 46.311 ( -3.013 0.795 8.512) 9.065 46.351 ( -1.536 -1.229 7.654) 7.902 47.883 ( -0.156 0.974 -1.368) 1.686 48.053 ( 1.393 -0.174 -4.329) 4.550 48.129 ( 1.943 -0.817 -3.822) 4.365 48.513 ( -0.487 -1.096 -3.902) 4.083 48.813 ( 0.410 -0.731 -1.280) 1.530 49.491 ( 0.815 1.013 -0.215) 1.318 87.950 ( -0.634 -0.544 -2.028) 2.194 88.041 ( 2.378 1.767 -1.381) 3.268 89.121 ( -0.955 -1.577 3.527) 3.979 89.144 ( -0.638 -1.027 5.710) 5.837 89.437 ( 1.283 -0.260 -3.304) 3.554 90.403 ( -1.880 11.636 -14.866) 18.972 91.526 ( -2.328 -1.171 5.367) 5.966 92.503 ( -1.894 -6.842 10.113) 12.356 97.525 ( -0.345 2.198 0.698) 2.332 97.747 ( -1.169 -3.387 0.637) 3.639 97.960 ( 1.993 -2.750 3.174) 4.649 98.314 ( -1.399 1.503 4.421) 4.874 99.404 ( -1.674 -6.059 0.768) 6.333 99.539 ( 0.506 -5.413 -2.571) 6.014 99.779 ( 0.034 6.871 -3.157) 7.562 100.062 ( 2.368 12.084 -6.530) 13.939 ======================= Grid point 154 (80/118) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -13.654 -0.118 24.368) 27.933 2.979 ( -15.714 7.443 28.905) 33.732 3.577 ( 2.695 6.962 20.791) 22.090 4.127 ( -1.233 -2.363 16.690) 16.901 4.339 ( -0.961 6.498 2.224) 6.935 4.510 ( -2.515 6.497 -5.630) 8.957 4.726 ( -1.918 -14.193 -0.981) 14.355 5.019 ( -0.769 0.363 4.493) 4.573 5.127 ( 5.147 1.740 -2.773) 6.100 5.227 ( -1.296 0.552 1.529) 2.079 5.536 ( -6.532 -4.943 6.703) 10.584 5.565 ( 0.828 -3.068 -1.235) 3.410 5.762 ( -1.010 3.245 -1.226) 3.613 5.955 ( -5.385 -1.129 -0.276) 5.509 6.041 ( 0.112 -3.884 -8.414) 9.268 6.198 ( 10.211 -0.266 -14.442) 17.689 6.332 ( -7.337 4.558 -1.428) 8.755 6.472 ( 4.551 0.389 -2.141) 5.045 6.616 ( 2.346 -6.481 -1.164) 6.990 6.679 ( -0.470 -0.279 -3.765) 3.804 6.833 ( -8.404 -3.207 2.303) 9.286 6.992 ( 5.455 5.557 11.882) 14.206 7.130 ( -1.348 -2.313 -3.090) 4.088 7.245 ( 2.644 1.878 -3.623) 4.862 7.395 ( -6.785 -0.358 -4.732) 8.280 7.716 ( 10.024 1.032 12.752) 16.253 7.823 ( 17.604 -0.722 3.519) 17.967 7.954 ( 1.433 5.122 -5.164) 7.413 8.247 ( -2.799 0.824 -0.727) 3.007 8.414 ( 2.112 0.461 -5.407) 5.823 8.658 ( 0.364 -2.000 9.228) 9.449 8.918 ( -3.043 3.012 -3.448) 5.497 8.992 ( 2.565 -2.196 -12.833) 13.270 9.055 ( -4.787 -2.212 -10.995) 12.194 9.514 ( 0.810 -3.658 2.350) 4.423 9.919 ( -6.038 0.631 1.800) 6.332 10.133 ( 1.577 0.814 6.050) 6.305 10.274 ( 4.388 -1.632 -7.481) 8.825 10.490 ( -5.426 -0.458 -5.566) 7.787 11.783 ( 2.089 3.232 2.896) 4.816 12.222 ( -3.671 -2.147 -3.731) 5.658 12.301 ( -2.955 1.422 -8.432) 9.047 12.571 ( 2.288 0.346 -1.515) 2.766 12.706 ( 1.629 -3.553 -5.216) 6.518 13.154 ( 8.385 -0.430 0.877) 8.442 13.431 ( 1.420 -1.578 1.284) 2.481 13.625 ( -4.102 3.719 -1.086) 5.642 13.914 ( -0.512 -3.445 -0.354) 3.501 13.994 ( 3.728 -2.340 -2.870) 5.254 15.767 ( 3.640 -1.565 6.741) 7.819 16.395 ( -1.168 -1.403 5.296) 5.602 16.691 ( -3.959 0.361 -1.766) 4.350 16.922 ( 0.319 6.509 -1.504) 6.688 17.082 ( -0.261 0.610 7.222) 7.252 17.487 ( -2.563 2.580 -1.104) 3.800 19.452 ( -7.432 0.624 1.740) 7.658 19.595 ( 3.404 3.407 3.203) 5.784 20.858 ( -0.729 -6.204 -2.532) 6.741 20.941 ( 1.251 6.720 -4.074) 7.958 21.377 ( 2.201 0.825 1.075) 2.585 21.480 ( 0.114 4.661 -7.914) 9.185 21.689 ( -1.880 -4.988 -5.114) 7.387 22.201 ( 4.857 -3.239 -12.546) 13.838 23.006 ( 4.580 -3.715 19.122) 20.010 23.432 ( -0.896 4.322 5.717) 7.223 23.585 ( 4.123 -2.536 2.991) 5.691 23.902 ( -7.633 7.217 -7.577) 12.952 25.373 ( -5.328 -2.583 9.418) 11.125 25.786 ( 0.828 6.558 9.807) 11.827 25.963 ( -2.311 3.416 -11.133) 11.873 26.622 ( 3.882 -2.048 -9.415) 10.388 26.644 ( 2.653 -0.350 -7.959) 8.397 27.078 ( -0.308 3.011 -1.720) 3.482 27.233 ( 1.684 -0.188 2.295) 2.853 27.647 ( 1.326 -0.660 -8.131) 8.265 28.061 ( 6.368 -0.878 -2.449) 6.879 28.451 ( -1.564 -7.363 -3.959) 8.505 28.606 ( -3.744 -9.340 -7.861) 12.769 28.966 ( -0.500 9.956 -1.658) 10.105 29.594 ( 1.832 0.438 -2.347) 3.010 30.249 ( -1.647 1.656 -1.998) 3.073 30.389 ( 4.219 -3.030 3.742) 6.401 30.820 ( 4.254 0.856 -3.573) 5.621 31.404 ( -7.908 -1.212 -7.637) 11.060 31.484 ( 5.838 -0.269 8.105) 9.992 32.342 ( 0.957 -1.232 0.039) 1.560 32.805 ( -2.991 0.292 7.876) 8.430 46.276 ( -3.522 1.526 9.304) 10.065 46.392 ( -0.885 -2.198 6.412) 6.836 47.870 ( 0.308 0.377 -0.923) 1.044 48.053 ( 1.006 -0.062 -4.649) 4.756 48.146 ( 1.757 0.354 -4.069) 4.447 48.500 ( -0.880 -1.591 -3.787) 4.201 48.827 ( 0.584 -0.836 -1.207) 1.580 49.489 ( 0.746 1.034 -0.235) 1.296 87.940 ( -0.160 -0.464 -2.052) 2.109 88.038 ( 1.305 2.348 -1.189) 2.938 89.114 ( -2.509 -1.685 2.614) 3.996 89.231 ( 2.532 -1.780 7.930) 8.513 89.485 ( 5.094 -1.699 -0.560) 5.399 90.105 ( -6.303 11.849 -12.836) 18.571 91.530 ( -0.698 0.656 5.112) 5.201 92.636 ( -1.165 -10.212 6.539) 12.182 97.508 ( 0.396 1.005 0.893) 1.402 97.767 ( -1.249 -2.308 0.845) 2.757 98.013 ( -0.354 -0.217 2.399) 2.434 98.327 ( 0.080 -2.297 4.399) 4.963 99.467 ( -0.654 -5.868 1.291) 6.044 99.615 ( 0.919 -5.860 -1.674) 6.163 99.645 ( -1.575 9.023 -3.094) 9.668 99.909 ( 3.077 12.435 -6.478) 14.355 ======================= Grid point 155 (81/118) ======================= q-point: (-0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -1.024 4.414 35.409) 35.698 2.910 ( -6.135 0.906 33.073) 33.649 3.592 ( 1.310 10.357 14.064) 17.515 4.084 ( -1.273 -1.209 0.973) 2.007 4.392 ( 1.538 6.521 5.997) 8.991 4.533 ( 7.431 -8.036 13.485) 17.368 4.903 ( 1.734 -13.447 -2.407) 13.770 5.015 ( -4.862 -3.627 6.606) 8.969 5.180 ( 3.186 3.903 2.270) 5.526 5.232 ( 6.893 0.731 -9.605) 11.845 5.520 ( -7.025 -4.274 4.781) 9.512 5.613 ( -1.287 -1.215 3.052) 3.528 5.664 ( -4.672 2.819 5.707) 7.896 5.868 ( -4.874 1.459 -4.188) 6.590 6.007 ( -1.755 -1.916 -10.930) 11.235 6.132 ( -8.831 4.040 2.472) 10.021 6.236 ( 4.225 3.446 -17.475) 18.306 6.497 ( 2.536 4.693 -5.726) 7.826 6.618 ( -3.626 -3.195 3.333) 5.870 6.730 ( 2.736 -4.687 -1.785) 5.713 6.781 ( -6.968 -5.034 2.284) 8.894 6.995 ( 0.954 6.015 4.182) 7.387 7.205 ( 4.966 -2.789 -0.948) 5.774 7.263 ( -4.488 -4.544 -0.308) 6.394 7.304 ( 1.330 -0.008 -2.427) 2.767 7.730 ( -3.951 4.708 -4.646) 7.705 7.940 ( 7.353 7.378 4.105) 11.196 8.124 ( -5.064 2.189 -8.030) 9.742 8.147 ( 10.403 -2.813 5.113) 11.928 8.435 ( 3.344 0.049 -4.745) 5.805 8.590 ( -6.093 2.063 0.755) 6.477 8.893 ( -1.532 -0.657 -13.092) 13.198 8.957 ( -1.909 -3.597 -0.829) 4.155 9.059 ( 2.396 -1.058 -1.711) 3.129 9.541 ( -1.582 -1.697 -1.495) 2.760 9.839 ( -1.886 0.655 -2.327) 3.066 10.139 ( 0.156 -1.206 4.802) 4.954 10.284 ( 1.538 1.970 0.264) 2.513 10.557 ( 8.189 -2.719 -3.938) 9.485 11.804 ( 2.779 2.341 2.504) 4.413 12.175 ( -1.602 -1.067 -4.347) 4.754 12.229 ( -0.885 -0.106 -3.281) 3.400 12.561 ( 0.814 2.713 -4.290) 5.141 12.739 ( 0.103 -2.199 -4.520) 5.028 13.281 ( 3.261 -1.898 -1.331) 4.001 13.432 ( -2.116 1.345 -5.528) 6.070 13.613 ( 6.658 -0.660 6.677) 9.453 13.936 ( -2.373 -4.336 -4.834) 6.914 14.039 ( -0.048 -2.211 -3.504) 4.144 15.844 ( 0.332 -0.337 3.172) 3.207 16.426 ( -0.265 -0.596 6.065) 6.100 16.633 ( -1.068 0.232 0.049) 1.094 16.841 ( 0.240 4.271 -0.835) 4.359 17.120 ( 1.046 0.940 8.815) 8.927 17.412 ( -1.939 1.473 -0.156) 2.440 19.089 ( -25.950 -4.315 4.632) 26.711 19.936 ( 28.262 5.967 4.436) 29.223 20.845 ( 1.591 5.919 -1.164) 6.239 20.951 ( -0.091 -7.677 -3.115) 8.286 21.369 ( -1.206 5.244 -7.646) 9.349 21.398 ( 1.202 1.327 0.456) 1.848 21.684 ( -2.336 -3.396 -5.253) 6.677 22.241 ( 3.465 -1.438 -13.757) 14.259 23.171 ( -1.467 -0.874 17.413) 17.496 23.293 ( -6.480 8.166 2.059) 10.626 23.587 ( -7.266 3.014 -0.085) 7.866 23.816 ( 8.143 -1.926 0.511) 8.384 25.381 ( -3.665 -3.898 9.701) 11.079 25.686 ( -5.285 8.325 10.942) 14.730 25.917 ( 5.344 1.757 -9.566) 11.098 26.598 ( 1.971 2.066 -6.237) 6.860 26.726 ( 5.592 -3.146 -11.307) 13.000 27.068 ( 0.063 -1.854 1.467) 2.365 27.236 ( -1.915 1.135 1.158) 2.509 27.636 ( 1.730 -0.112 -8.848) 9.016 28.137 ( 1.216 -1.585 -4.272) 4.716 28.422 ( -1.578 0.692 -6.013) 6.255 28.581 ( -3.178 1.607 -7.018) 7.870 28.909 ( 0.579 -2.561 2.211) 3.433 29.584 ( 0.683 1.992 -4.393) 4.871 30.227 ( 0.823 -0.513 -0.350) 1.031 30.512 ( 2.552 -4.449 1.000) 5.226 30.848 ( 2.690 1.622 -4.693) 5.647 31.240 ( -8.393 0.276 -3.364) 9.046 31.619 ( 5.775 -0.522 3.030) 6.542 32.366 ( 0.852 -0.252 -1.540) 1.778 32.812 ( -0.784 -0.545 8.567) 8.620 46.248 ( -2.747 1.335 9.605) 10.078 46.427 ( -1.718 -1.935 5.530) 6.105 47.876 ( 0.880 -0.246 -0.637) 1.114 48.048 ( 0.812 -0.219 -4.653) 4.729 48.137 ( 0.934 1.528 -4.098) 4.472 48.495 ( 0.010 -1.392 -3.220) 3.508 48.836 ( 0.292 -0.340 -1.709) 1.767 49.488 ( 0.394 0.465 -0.145) 0.627 87.940 ( 0.615 -0.397 -1.801) 1.944 88.017 ( 0.310 2.053 -0.797) 2.224 89.108 ( -2.508 -1.671 2.916) 4.194 89.305 ( 0.169 -1.747 2.901) 3.390 89.644 ( 7.451 -0.507 -2.771) 7.966 89.849 ( -0.170 5.666 -2.272) 6.106 91.527 ( -0.213 2.294 5.059) 5.559 92.749 ( -3.714 -9.521 1.405) 10.316 97.520 ( 1.053 -0.177 1.099) 1.532 97.771 ( -1.509 -1.228 0.406) 1.987 97.976 ( -2.710 2.755 2.042) 4.371 98.393 ( -0.555 -4.648 2.465) 5.290 99.487 ( -0.794 7.961 -1.950) 8.234 99.521 ( 0.448 1.221 -0.560) 1.416 99.702 ( 1.416 -5.350 -0.824) 5.595 99.841 ( 5.381 3.460 -1.727) 6.626 ======================= Grid point 156 (82/118) ======================= q-point: (-0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -2.051 -1.326 35.373) 35.457 3.100 ( 9.190 2.653 38.797) 39.959 3.511 ( -3.752 6.274 11.601) 13.712 4.157 ( 3.445 -1.686 2.132) 4.388 4.420 ( 5.163 2.188 10.032) 11.493 4.841 ( 6.378 -10.257 6.209) 13.581 5.026 ( 0.474 -1.297 7.555) 7.680 5.080 ( 3.075 -7.225 -5.377) 9.517 5.159 ( -0.832 -0.058 -5.152) 5.219 5.296 ( 6.580 4.060 -5.302) 9.375 5.400 ( -12.739 -1.911 2.966) 13.219 5.537 ( -3.538 3.443 -1.853) 5.273 5.656 ( -0.319 -1.575 5.270) 5.509 5.794 ( -3.851 -1.364 8.118) 9.088 5.923 ( -0.122 4.100 -15.220) 15.763 5.955 ( -5.752 3.408 3.771) 7.675 6.160 ( 1.570 4.443 -3.433) 5.831 6.525 ( 4.722 0.192 -6.072) 7.694 6.549 ( -11.014 -0.539 6.330) 12.715 6.695 ( -5.800 -4.814 -6.330) 9.843 6.810 ( 0.011 0.488 2.930) 2.970 6.990 ( 2.265 0.427 4.574) 5.122 7.173 ( -7.532 -4.055 -2.167) 8.825 7.261 ( -2.775 -0.309 -4.522) 5.315 7.420 ( 6.467 1.302 4.271) 7.859 7.602 ( 1.786 0.182 -9.265) 9.437 7.935 ( -4.671 2.605 -7.496) 9.208 8.018 ( 6.927 3.961 0.431) 7.991 8.191 ( -7.793 -1.033 -1.182) 7.949 8.448 ( -0.175 0.743 -8.142) 8.177 8.620 ( 8.244 -0.949 -2.261) 8.601 8.718 ( -4.405 -0.331 -16.074) 16.670 8.968 ( -2.855 0.666 2.990) 4.188 9.155 ( 6.383 -0.481 10.865) 12.610 9.498 ( -3.671 -0.995 -4.998) 6.281 9.837 ( 3.683 0.018 -4.116) 5.523 10.092 ( -8.869 1.888 4.131) 9.964 10.390 ( 7.518 -1.986 0.232) 7.779 10.729 ( 11.147 -1.572 -1.189) 11.320 11.818 ( -0.631 0.813 4.279) 4.401 12.169 ( 1.313 -0.472 -1.489) 2.040 12.259 ( 5.225 -0.794 -1.467) 5.485 12.501 ( -0.528 3.019 -4.903) 5.782 12.721 ( -1.109 -0.485 -6.217) 6.334 13.261 ( -1.944 -0.045 -12.345) 12.497 13.404 ( 1.556 -0.146 -0.673) 1.701 13.778 ( 4.044 -0.618 8.013) 8.997 13.892 ( -4.333 -2.856 -8.375) 9.852 14.010 ( -3.196 -1.301 -5.399) 6.408 15.809 ( -4.786 0.119 -0.498) 4.813 16.426 ( -1.763 1.558 4.090) 4.718 16.670 ( 3.295 -0.684 4.072) 5.283 16.847 ( 3.033 -0.478 2.042) 3.687 17.148 ( -0.653 0.952 5.245) 5.371 17.431 ( 4.374 -0.166 6.037) 7.457 18.810 ( -14.739 -2.449 4.419) 15.581 20.337 ( 20.911 2.329 6.649) 22.066 20.826 ( 3.476 2.819 2.371) 5.065 21.043 ( 0.995 -6.330 -0.702) 6.446 21.251 ( 0.270 4.664 -9.345) 10.448 21.379 ( -1.451 1.069 -1.217) 2.175 21.657 ( -1.638 -1.364 -4.940) 5.380 22.224 ( 1.390 -0.132 -15.122) 15.187 22.881 ( -15.744 8.754 -4.271) 18.514 23.350 ( 0.980 -3.023 15.365) 15.691 23.476 ( -4.381 2.001 6.246) 7.888 23.993 ( 7.997 -1.492 2.115) 8.405 25.443 ( -1.488 -4.203 10.599) 11.499 25.563 ( -3.374 5.702 10.072) 12.056 25.964 ( 7.174 1.551 -6.972) 10.123 26.598 ( 3.007 0.168 -5.621) 6.377 26.768 ( 2.820 -0.141 -13.504) 13.796 27.132 ( -0.165 -3.506 2.535) 4.330 27.171 ( -2.108 0.697 2.662) 3.467 27.622 ( 1.776 0.680 -8.899) 9.100 28.091 ( -4.332 -1.790 -8.432) 9.647 28.388 ( 1.080 2.703 -5.807) 6.495 28.431 ( -1.323 6.266 -5.305) 8.316 29.014 ( 2.717 -5.463 0.900) 6.168 29.545 ( 0.573 1.991 -2.027) 2.899 30.281 ( 3.189 -1.756 1.325) 3.874 30.548 ( -4.495 -2.731 -5.492) 7.605 30.819 ( -0.633 1.089 -3.618) 3.832 31.132 ( -2.579 0.966 2.590) 3.781 31.697 ( 2.581 -0.054 -1.581) 3.028 32.359 ( -0.463 0.378 -1.703) 1.805 32.862 ( 0.790 -0.859 6.609) 6.711 46.241 ( -1.825 0.799 9.546) 9.752 46.433 ( -2.907 -1.035 5.514) 6.318 47.897 ( 1.243 -0.561 -0.685) 1.526 48.043 ( 0.713 -0.289 -4.466) 4.532 48.108 ( 0.488 1.530 -3.799) 4.124 48.505 ( 1.250 -0.573 -2.910) 3.218 48.830 ( -0.034 0.065 -2.154) 2.155 49.489 ( -0.011 -0.033 -0.060) 0.070 87.955 ( 1.552 -0.290 -1.433) 2.132 87.994 ( -0.221 0.988 -0.736) 1.252 89.097 ( -2.352 -0.803 3.120) 3.989 89.303 ( -3.018 -0.708 -0.807) 3.203 89.555 ( -2.319 3.167 -8.986) 9.806 90.082 ( 17.690 -3.178 5.458) 18.784 91.518 ( -0.137 2.082 5.498) 5.881 92.743 ( -8.307 -4.696 -1.436) 9.650 97.556 ( 1.429 -1.224 1.310) 2.292 97.746 ( -2.043 0.750 -0.641) 2.268 97.901 ( -2.922 2.138 2.410) 4.349 98.427 ( -2.399 -2.986 1.030) 3.966 99.383 ( -0.596 4.719 -0.289) 4.765 99.484 ( 1.239 4.048 -2.624) 4.981 99.783 ( 2.124 -3.139 -0.921) 3.900 99.972 ( 7.817 -3.369 1.792) 8.698 ======================= Grid point 158 (83/118) ======================= q-point: ( 0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -18.059 0.000 19.203) 26.361 3.385 ( -18.405 0.000 30.172) 35.342 3.562 ( 0.866 -0.000 25.126) 25.141 4.113 ( -3.151 0.000 6.308) 7.051 4.282 ( -10.793 0.000 17.655) 20.693 4.759 ( -0.096 0.000 -17.813) 17.813 4.815 ( 0.947 -0.000 -16.363) 16.390 5.000 ( 0.377 -0.000 -3.371) 3.392 5.276 ( 0.717 -0.000 -4.628) 4.683 5.278 ( -6.445 0.000 4.306) 7.751 5.472 ( 1.317 -0.000 -3.860) 4.078 5.485 ( -12.047 0.000 18.265) 21.880 5.877 ( 14.494 -0.000 -8.471) 16.788 5.926 ( 5.811 -0.000 -10.563) 12.056 5.954 ( -9.988 0.000 9.626) 13.872 5.969 ( 3.399 -0.000 -2.644) 4.306 6.300 ( 0.900 -0.000 2.063) 2.251 6.475 ( 2.807 -0.000 -4.947) 5.688 6.519 ( 7.895 -0.000 3.588) 8.672 6.587 ( 0.545 -0.000 -5.995) 6.020 6.885 ( -1.344 0.000 3.091) 3.371 7.059 ( -4.395 0.000 0.260) 4.402 7.136 ( 1.157 -0.000 8.141) 8.223 7.163 ( 17.852 -0.000 25.487) 31.117 7.408 ( -10.306 0.000 -9.606) 14.089 7.562 ( 10.631 -0.000 -5.939) 12.177 7.692 ( -5.180 0.000 -6.879) 8.611 8.037 ( 0.558 -0.000 -2.138) 2.209 8.192 ( 11.514 -0.000 3.821) 12.131 8.418 ( 2.095 -0.000 -7.296) 7.591 8.596 ( -5.846 0.000 3.015) 6.578 8.890 ( 5.657 -0.000 -4.162) 7.023 9.024 ( 7.077 -0.000 -17.088) 18.496 9.327 ( -15.537 0.000 -10.083) 18.522 9.337 ( 0.838 -0.000 9.390) 9.427 9.975 ( 0.473 -0.000 -4.914) 4.937 9.987 ( 11.294 -0.000 15.949) 19.543 10.208 ( -2.987 0.000 -4.395) 5.313 10.773 ( -14.947 0.000 -9.906) 17.932 11.821 ( -0.724 0.000 6.877) 6.915 12.239 ( -5.053 0.000 -0.521) 5.080 12.458 ( -0.496 0.000 -9.851) 9.863 12.503 ( 5.246 -0.000 -6.673) 8.488 12.583 ( 0.047 -0.000 -4.199) 4.199 13.069 ( 7.343 -0.000 -4.924) 8.841 13.381 ( -2.172 0.000 -0.168) 2.179 13.741 ( 3.203 -0.000 3.150) 4.492 13.823 ( 5.500 -0.000 -3.239) 6.383 13.940 ( -6.242 0.000 1.784) 6.492 15.641 ( 1.200 -0.000 6.307) 6.420 16.367 ( -1.505 0.000 3.948) 4.225 16.753 ( -3.045 0.000 1.951) 3.617 17.077 ( -3.058 0.000 4.630) 5.549 17.085 ( 4.022 -0.000 -3.392) 5.261 17.597 ( -3.578 0.000 1.503) 3.881 19.318 ( 26.358 -0.000 -2.027) 26.436 19.933 ( -32.062 0.000 3.401) 32.242 20.717 ( -3.218 0.000 -2.566) 4.116 21.242 ( 4.931 -0.000 1.739) 5.229 21.249 ( 0.256 -0.000 -6.922) 6.927 21.577 ( -1.559 0.000 0.395) 1.609 21.651 ( 6.402 -0.000 -7.390) 9.777 22.046 ( 2.718 -0.000 -15.298) 15.538 22.657 ( 10.987 -0.000 12.184) 16.406 23.415 ( -0.057 0.000 5.867) 5.867 23.560 ( -0.765 0.000 7.897) 7.934 24.169 ( -1.481 0.000 -5.016) 5.230 25.362 ( -5.699 0.000 10.941) 12.336 25.838 ( 5.104 -0.000 2.570) 5.715 26.261 ( 7.188 -0.000 -7.437) 10.343 26.322 ( -8.701 0.000 -7.381) 11.410 26.694 ( 3.900 -0.000 -7.981) 8.883 27.169 ( 3.273 -0.000 1.980) 3.825 27.376 ( -0.038 0.000 -3.078) 3.078 27.573 ( 1.882 -0.000 -9.215) 9.405 27.933 ( 2.249 -0.000 -4.138) 4.710 28.200 ( 1.149 -0.000 1.856) 2.183 28.415 ( 1.748 -0.000 -10.570) 10.713 29.276 ( 6.910 -0.000 -6.717) 9.636 29.595 ( -3.342 0.000 -0.737) 3.423 30.196 ( 0.123 -0.000 7.309) 7.310 30.379 ( -3.007 0.000 -3.441) 4.570 30.792 ( 3.025 -0.000 -1.373) 3.322 31.331 ( 5.598 -0.000 4.706) 7.313 31.529 ( -6.084 0.000 -3.322) 6.932 32.295 ( -0.003 0.000 0.529) 0.529 32.851 ( -3.914 0.000 5.367) 6.642 46.311 ( -0.639 0.000 7.830) 7.856 46.344 ( -4.129 0.000 8.608) 9.547 47.898 ( -0.680 0.000 -1.861) 1.981 48.052 ( 1.796 -0.000 -4.034) 4.416 48.114 ( 2.394 -0.000 -3.340) 4.109 48.499 ( -0.720 0.000 -3.877) 3.943 48.802 ( 0.277 -0.000 -1.271) 1.301 49.505 ( 0.870 -0.000 -0.377) 0.949 87.942 ( -0.568 0.000 -1.716) 1.808 88.065 ( 2.780 -0.000 -2.018) 3.435 89.104 ( 0.971 -0.000 4.688) 4.787 89.127 ( -2.645 0.000 4.399) 5.133 89.435 ( 1.276 -0.000 -4.464) 4.643 90.563 ( -2.560 0.000 -17.134) 17.324 91.508 ( -1.025 0.000 5.849) 5.938 92.413 ( -4.109 0.000 11.987) 12.671 97.554 ( -2.860 0.000 0.244) 2.871 97.705 ( 2.310 -0.000 1.238) 2.621 97.919 ( 1.997 -0.000 3.372) 3.919 98.344 ( -2.203 0.000 4.187) 4.731 99.311 ( -1.867 0.000 0.800) 2.031 99.457 ( 0.416 -0.000 -2.662) 2.694 99.872 ( 0.337 -0.000 -3.371) 3.388 100.234 ( 2.355 -0.000 -7.014) 7.399 ======================= Grid point 159 (84/118) ======================= q-point: (-0.67 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -12.943 -1.979 22.954) 26.426 3.199 ( -13.877 6.140 30.974) 34.491 3.655 ( 0.195 0.558 17.843) 17.853 4.071 ( -3.919 -0.139 12.015) 12.639 4.351 ( -2.963 -10.969 13.146) 17.375 4.620 ( 0.450 9.242 -12.819) 15.809 4.714 ( -0.752 7.034 -12.994) 14.795 5.017 ( -1.006 -0.628 1.321) 1.775 5.130 ( -5.616 -1.844 -1.863) 6.197 5.276 ( 0.567 1.492 1.799) 2.405 5.393 ( -8.103 -4.118 12.146) 15.170 5.486 ( -1.167 -0.420 -0.633) 1.393 5.838 ( -2.652 0.887 5.018) 5.745 5.910 ( -1.477 -1.279 -4.402) 4.816 6.058 ( 8.671 2.958 -6.702) 11.351 6.131 ( 9.752 -3.574 -6.877) 12.457 6.317 ( -3.232 -4.449 -0.152) 5.501 6.518 ( -1.024 2.676 -4.377) 5.231 6.533 ( 5.147 0.011 -5.454) 7.499 6.600 ( -0.780 -3.261 -1.611) 3.720 6.835 ( -6.478 -0.301 2.355) 6.899 7.031 ( -1.655 -0.941 0.896) 2.105 7.129 ( 1.056 4.884 5.911) 7.739 7.262 ( -3.436 -2.577 -0.824) 4.374 7.490 ( -1.973 6.250 -4.694) 8.062 7.660 ( 14.490 -5.001 15.058) 21.487 7.810 ( 15.777 -0.109 -0.605) 15.789 8.035 ( 0.437 1.200 0.909) 1.568 8.280 ( -2.749 1.302 -1.044) 3.216 8.420 ( 2.431 0.032 -8.090) 8.448 8.605 ( 4.236 -1.380 8.297) 9.418 8.925 ( -0.264 -1.227 -9.615) 9.697 9.009 ( -1.091 1.469 -11.985) 12.124 9.029 ( -8.875 0.245 -11.398) 14.448 9.439 ( 3.065 -1.689 8.212) 8.927 9.933 ( -3.890 0.228 2.396) 4.574 10.166 ( 3.086 1.876 -1.639) 3.966 10.223 ( 5.525 -2.065 1.432) 6.069 10.488 ( -9.331 0.060 -7.165) 11.765 11.843 ( 1.198 1.180 4.211) 4.534 12.168 ( -3.689 -1.409 -1.289) 4.154 12.352 ( -3.552 1.902 -11.704) 12.379 12.555 ( 3.422 -0.761 -3.328) 4.834 12.606 ( 1.719 -3.335 -4.247) 5.667 13.180 ( 7.846 1.388 -0.414) 7.979 13.382 ( 0.906 -1.435 2.097) 2.698 13.721 ( -6.347 3.006 0.681) 7.056 13.873 ( 0.261 0.105 -0.777) 0.826 13.923 ( 4.435 -2.935 -2.253) 5.776 15.732 ( 4.397 -0.870 7.456) 8.699 16.371 ( -0.659 -0.420 4.584) 4.650 16.691 ( -4.353 -0.142 -1.105) 4.493 17.050 ( -1.607 2.322 5.095) 5.825 17.103 ( 1.667 1.270 -2.632) 3.365 17.528 ( -4.191 0.624 -0.691) 4.293 19.405 ( -32.221 -1.827 2.068) 32.339 19.736 ( 26.997 4.337 -0.424) 27.347 20.695 ( -1.479 -4.155 -2.246) 4.950 21.161 ( 1.161 7.505 -4.048) 8.606 21.364 ( 4.301 -2.080 -1.127) 4.909 21.562 ( -2.118 -2.687 -0.039) 3.422 21.640 ( 1.714 5.258 -7.963) 9.695 22.076 ( 4.392 -5.149 -13.801) 15.371 22.925 ( 8.499 -2.092 18.583) 20.541 23.473 ( 4.467 -0.138 3.247) 5.524 23.565 ( -1.408 0.385 5.513) 5.703 24.057 ( -5.433 3.664 -9.979) 11.939 25.324 ( -5.784 -1.050 10.620) 12.139 25.902 ( 3.842 2.118 1.062) 4.514 26.103 ( -5.065 6.995 -4.198) 9.602 26.406 ( 3.132 -9.423 -8.806) 13.272 26.705 ( 3.199 1.692 -8.927) 9.632 27.228 ( 2.973 2.599 -1.461) 4.210 27.272 ( -0.962 5.937 -1.417) 6.179 27.594 ( 1.269 -3.393 -8.475) 9.217 27.985 ( 1.773 -3.525 -0.747) 4.016 28.290 ( 4.409 -4.327 3.148) 6.933 28.432 ( 2.624 -2.783 -8.203) 9.051 29.262 ( 2.391 10.504 -7.165) 12.938 29.544 ( -2.557 -4.047 -3.200) 5.758 30.273 ( -0.995 -0.474 3.525) 3.693 30.305 ( -0.853 -1.962 1.465) 2.593 30.837 ( 3.873 0.474 -3.712) 5.386 31.380 ( -4.694 -0.513 -7.614) 8.959 31.479 ( 3.701 -0.159 8.795) 9.543 32.319 ( 2.000 -0.457 0.371) 2.085 32.813 ( -3.551 0.249 7.131) 7.970 46.311 ( -3.335 1.090 9.216) 9.861 46.343 ( -1.369 -1.396 7.292) 7.549 47.877 ( -0.565 0.144 -1.478) 1.589 48.059 ( 1.522 0.295 -4.571) 4.826 48.146 ( 2.900 -0.212 -3.739) 4.737 48.470 ( -1.063 -0.623 -3.043) 3.283 48.808 ( 0.570 -0.470 -0.800) 1.090 49.511 ( 0.531 0.498 -0.899) 1.157 87.929 ( -0.236 -0.280 -1.734) 1.772 88.086 ( 1.692 1.049 -2.593) 3.269 89.107 ( -1.369 1.038 4.807) 5.105 89.175 ( 2.054 -2.258 7.151) 7.775 89.454 ( 3.320 -0.706 -3.532) 4.898 90.334 ( -9.737 5.037 -16.585) 19.880 91.547 ( 2.425 0.466 4.545) 5.172 92.444 ( -2.621 -3.960 12.617) 13.481 97.510 ( -2.500 -0.464 0.154) 2.547 97.759 ( 3.208 0.836 2.042) 3.894 97.977 ( 1.596 -1.541 3.063) 3.782 98.323 ( -2.007 0.839 4.980) 5.435 99.309 ( -1.994 -4.270 0.956) 4.809 99.477 ( 0.587 -3.461 -2.310) 4.202 99.822 ( -1.329 3.798 -3.788) 5.526 100.184 ( 1.755 6.438 -9.551) 11.650 ======================= Grid point 160 (85/118) ======================= q-point: (-0.50 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -7.471 -2.490 27.673) 28.772 3.126 ( 0.676 10.417 34.581) 36.122 3.763 ( 4.541 0.287 12.847) 13.629 4.036 ( -9.655 -3.624 3.877) 11.018 4.485 ( -2.021 -7.857 -12.803) 15.158 4.496 ( 1.853 6.103 5.644) 8.517 4.607 ( 4.562 1.778 10.355) 11.454 4.963 ( -5.639 1.109 5.629) 8.044 5.159 ( 1.002 -8.035 -2.691) 8.532 5.289 ( 1.552 4.577 6.151) 7.822 5.383 ( -6.872 -4.277 8.339) 11.621 5.515 ( 3.489 -3.695 -1.915) 5.430 5.783 ( -3.227 3.971 4.237) 6.643 5.918 ( 2.550 -0.145 -4.046) 4.785 6.039 ( -0.761 5.451 -5.171) 7.551 6.205 ( -2.045 1.080 -8.505) 8.814 6.280 ( -1.035 -1.874 -4.373) 4.869 6.493 ( 0.840 -2.734 0.873) 2.991 6.583 ( -0.842 -3.816 -3.036) 4.948 6.623 ( 0.550 -1.287 -6.087) 6.246 6.725 ( -3.495 1.843 -2.372) 4.609 7.017 ( -2.503 -1.893 2.952) 4.309 7.155 ( 2.725 -0.626 0.548) 2.849 7.244 ( -5.128 -1.303 -4.699) 7.076 7.371 ( 4.376 7.553 4.247) 9.708 7.844 ( -2.045 3.205 -0.635) 3.854 8.066 ( 5.863 0.511 8.840) 10.619 8.069 ( 7.488 -1.972 3.193) 8.376 8.151 ( -6.129 0.112 -9.042) 10.924 8.433 ( 3.344 -0.034 -5.528) 6.461 8.660 ( -3.733 2.439 2.677) 5.201 8.821 ( -8.478 -4.291 -18.264) 20.588 8.900 ( 6.222 -0.248 -0.252) 6.232 9.033 ( 2.215 -0.761 -2.255) 3.251 9.514 ( 0.208 -0.367 5.039) 5.057 9.883 ( -0.873 2.422 1.211) 2.846 10.125 ( 1.408 0.451 -5.758) 5.945 10.305 ( -0.451 -0.485 3.886) 3.942 10.495 ( 7.770 -1.814 -2.181) 8.272 11.864 ( 1.651 1.853 1.145) 2.733 12.140 ( -1.543 -1.565 -1.070) 2.444 12.234 ( -1.700 0.624 -7.554) 7.768 12.597 ( 2.127 -0.567 -5.202) 5.648 12.663 ( 1.640 -2.982 -1.857) 3.877 13.278 ( 5.867 1.746 1.490) 6.300 13.447 ( 1.062 -0.653 -2.656) 2.934 13.566 ( -5.151 -1.816 -0.070) 5.463 13.880 ( 0.163 0.557 -0.105) 0.589 13.991 ( 1.004 -2.018 -3.196) 3.910 15.834 ( 1.906 -0.464 4.503) 4.911 16.402 ( 0.535 -0.943 5.561) 5.665 16.631 ( -1.894 -0.357 -0.143) 1.933 16.974 ( -2.069 5.380 -1.941) 6.083 17.130 ( 1.339 -0.435 5.718) 5.889 17.441 ( -4.228 0.652 -1.580) 4.561 18.963 ( -26.355 -4.712 2.855) 26.925 20.111 ( 26.089 6.725 2.853) 27.092 20.746 ( 0.099 -6.570 -1.853) 6.827 21.062 ( 1.456 8.372 -2.887) 8.975 21.401 ( 0.661 1.278 -4.167) 4.409 21.545 ( -1.398 4.376 -3.905) 6.029 21.584 ( 1.373 -2.174 -2.522) 3.602 22.156 ( 3.758 -5.362 -13.796) 15.271 23.122 ( 1.403 -1.643 21.487) 21.596 23.485 ( -2.819 4.510 2.472) 5.865 23.642 ( 4.333 -0.491 0.057) 4.361 23.827 ( -4.848 4.157 -10.470) 12.264 25.301 ( -4.905 -2.163 10.645) 11.919 25.913 ( -4.558 8.760 7.097) 12.161 25.953 ( 4.665 0.880 -6.818) 8.308 26.535 ( 2.794 -10.050 -10.525) 14.818 26.673 ( 1.753 3.003 -8.803) 9.465 27.128 ( 0.052 5.866 -3.461) 6.811 27.284 ( 1.167 2.058 2.120) 3.177 27.610 ( 1.509 -2.057 -8.508) 8.882 28.035 ( -2.487 -5.471 -3.524) 6.967 28.464 ( 8.174 -2.905 2.887) 9.143 28.477 ( 2.992 -1.144 -3.374) 4.652 29.079 ( -1.534 12.111 -5.145) 13.248 29.560 ( -1.044 -4.045 -4.374) 6.048 30.210 ( -2.509 -0.421 -1.696) 3.058 30.398 ( 0.457 -4.410 3.874) 5.888 30.868 ( 2.884 0.228 -6.585) 7.192 31.251 ( -6.308 0.489 -2.831) 6.931 31.602 ( 5.511 -0.645 4.077) 6.886 32.362 ( 2.282 -0.004 -0.390) 2.315 32.801 ( -2.036 -0.231 8.596) 8.837 46.287 ( -2.717 1.468 9.733) 10.211 46.372 ( -1.848 -1.983 6.524) 7.065 47.867 ( -0.111 -0.376 -1.043) 1.115 48.054 ( 1.311 0.540 -4.789) 4.994 48.169 ( 2.261 0.786 -4.534) 5.128 48.460 ( 0.029 -1.116 -1.817) 2.132 48.822 ( 0.623 -0.604 -0.889) 1.242 49.502 ( -0.105 0.528 -1.133) 1.255 87.927 ( 0.302 -0.516 -1.565) 1.675 88.072 ( 0.333 1.748 -2.526) 3.090 89.094 ( -1.129 1.032 4.272) 4.538 89.265 ( 0.565 -1.786 6.101) 6.382 89.565 ( 8.387 -4.069 -1.681) 9.472 90.021 ( -9.710 5.895 -12.154) 16.636 91.595 ( 2.856 2.442 3.347) 5.032 92.524 ( -2.833 -6.436 10.427) 12.576 97.490 ( -1.717 -1.718 0.166) 2.435 97.799 ( 3.135 2.802 2.264) 4.775 98.016 ( -0.576 -0.077 2.426) 2.495 98.312 ( -1.786 -0.948 4.617) 5.040 99.374 ( -0.266 -7.981 1.865) 8.200 99.540 ( 0.930 -5.785 -2.000) 6.191 99.707 ( -1.947 6.665 -2.946) 7.543 100.060 ( 1.825 9.265 -10.450) 14.084 ======================= Grid point 161 (86/118) ======================= q-point: (-0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -3.054 -3.731 32.040) 32.400 3.251 ( 8.310 9.018 34.479) 36.595 3.751 ( -5.362 9.070 7.429) 12.892 4.046 ( 1.150 -7.174 4.460) 8.526 4.445 ( -1.493 -3.513 -5.453) 6.657 4.594 ( 3.285 -8.166 3.481) 9.465 4.836 ( 9.219 -5.284 8.292) 13.478 4.918 ( -2.693 -2.836 9.478) 10.253 5.224 ( -0.581 5.523 -7.255) 9.137 5.263 ( -2.909 -5.521 -0.044) 6.240 5.401 ( -1.951 -6.006 13.613) 15.006 5.571 ( 0.546 5.088 -1.585) 5.356 5.705 ( -3.339 2.724 7.191) 8.384 5.827 ( -2.660 4.378 -5.234) 7.323 6.021 ( 2.925 1.112 1.751) 3.585 6.061 ( -3.044 4.925 -4.725) 7.474 6.273 ( 3.046 1.808 -10.240) 10.836 6.511 ( -4.885 -2.434 3.900) 6.708 6.578 ( -3.648 -2.153 -9.528) 10.427 6.593 ( -1.069 2.947 -1.702) 3.567 6.703 ( 2.106 -5.235 2.795) 6.297 7.002 ( -4.093 -2.386 0.595) 4.775 7.121 ( -3.677 2.317 -4.134) 5.998 7.216 ( 0.955 -1.872 -1.975) 2.884 7.456 ( 7.627 0.766 1.030) 7.734 7.662 ( -6.324 4.950 -4.111) 9.022 8.005 ( -4.901 -0.368 -10.384) 11.488 8.108 ( -4.431 2.035 4.233) 6.457 8.160 ( 0.534 -0.200 2.994) 3.047 8.461 ( -1.055 -0.434 -4.959) 5.088 8.611 ( 1.314 0.248 -11.488) 11.566 8.688 ( 2.190 -1.380 -7.833) 8.250 8.996 ( 0.079 1.193 -0.205) 1.213 9.123 ( 8.759 -1.881 7.954) 11.980 9.498 ( -3.046 1.577 2.619) 4.315 9.862 ( 2.566 2.378 -2.685) 4.410 10.140 ( -4.449 1.114 3.996) 6.083 10.321 ( 3.619 -2.692 -2.791) 5.305 10.672 ( 10.399 -2.271 -0.417) 10.652 11.846 ( -1.632 0.969 0.399) 1.940 12.151 ( 1.961 -0.850 -0.689) 2.245 12.237 ( 4.021 -0.689 -2.039) 4.561 12.581 ( 0.344 1.324 -7.761) 7.881 12.702 ( 0.712 -0.584 -1.355) 1.638 13.279 ( -3.226 1.672 -11.594) 12.150 13.395 ( 1.372 -0.317 1.275) 1.900 13.680 ( 3.930 -6.660 2.871) 8.249 13.852 ( -2.475 1.093 0.647) 2.782 13.980 ( -1.737 -0.965 -5.141) 5.512 15.821 ( -4.045 0.744 0.424) 4.135 16.454 ( 0.503 -0.236 5.141) 5.171 16.648 ( 2.160 -0.662 2.831) 3.622 16.870 ( -1.652 2.751 -0.612) 3.267 17.176 ( -0.115 0.657 4.288) 4.340 17.403 ( 0.328 -1.965 2.980) 3.584 18.700 ( -14.540 -5.496 3.175) 15.865 20.440 ( 18.941 5.169 5.807) 20.474 20.832 ( -0.010 -6.105 -0.594) 6.133 20.995 ( 5.025 6.573 -0.604) 8.296 21.328 ( -2.655 1.918 -8.415) 9.030 21.454 ( -3.069 2.678 -0.297) 4.084 21.624 ( 3.413 0.360 -3.981) 5.256 22.195 ( 2.274 -2.917 -14.625) 15.086 23.181 ( -9.414 8.585 3.260) 13.151 23.292 ( -3.691 2.056 7.277) 8.415 23.530 ( -4.304 2.467 0.915) 5.045 23.927 ( 8.438 -3.390 1.132) 9.163 25.333 ( -1.968 -4.109 10.971) 11.879 25.747 ( -4.605 8.236 6.204) 11.293 26.014 ( 6.450 1.888 -3.971) 7.806 26.625 ( 1.693 1.757 -7.566) 7.950 26.661 ( 2.976 -9.246 -12.059) 15.484 27.079 ( 1.088 1.999 -0.574) 2.347 27.234 ( -3.063 3.746 0.595) 4.875 27.625 ( 2.503 -0.826 -7.769) 8.204 28.009 ( -4.294 -4.285 -7.362) 9.539 28.506 ( 4.221 4.447 -2.746) 6.718 28.620 ( 7.132 4.362 -0.339) 8.367 28.914 ( -1.237 3.252 -0.445) 3.508 29.557 ( -1.712 -2.273 -3.956) 4.873 30.209 ( -0.015 -3.104 0.170) 3.109 30.450 ( -1.927 -4.350 -1.266) 4.923 30.847 ( -0.903 0.796 -7.299) 7.398 31.165 ( -2.169 1.153 2.429) 3.455 31.693 ( 3.326 -0.277 -0.843) 3.442 32.377 ( 0.470 0.962 -0.583) 1.219 32.831 ( -0.466 -1.225 8.027) 8.133 46.275 ( -1.768 1.626 9.634) 9.929 46.389 ( -2.769 -2.026 6.273) 7.151 47.873 ( 0.309 -1.052 -0.851) 1.388 48.047 ( 1.358 0.552 -4.672) 4.896 48.156 ( 0.972 1.812 -4.650) 5.084 48.483 ( 1.761 -0.986 -1.494) 2.512 48.830 ( 0.307 -0.117 -1.501) 1.536 49.488 ( -0.492 0.027 -0.867) 0.997 87.940 ( 1.082 -0.797 -1.336) 1.896 88.035 ( -0.532 1.797 -1.981) 2.727 89.084 ( -1.108 0.480 3.874) 4.058 89.287 ( -1.774 -0.494 2.737) 3.299 89.652 ( -3.429 2.716 -11.134) 11.962 89.942 ( 10.045 -6.473 1.939) 12.106 91.604 ( 1.318 3.836 3.259) 5.204 92.585 ( -4.700 -5.524 7.243) 10.251 97.497 ( -0.990 -2.796 0.222) 2.975 97.812 ( 2.632 4.193 1.927) 5.313 97.974 ( -2.989 2.850 2.008) 4.592 98.329 ( -2.089 -3.382 3.233) 5.124 99.501 ( 1.514 -6.213 1.289) 6.524 99.561 ( -1.004 6.418 -1.770) 6.733 99.649 ( 1.371 -5.755 -0.839) 5.976 99.948 ( 2.677 4.792 -8.468) 10.091 ======================= Grid point 162 (87/118) ======================= q-point: (-0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 0.503 -4.486 34.295) 34.591 3.406 ( -0.122 4.108 28.751) 29.043 3.561 ( -8.880 8.247 16.730) 20.658 4.114 ( -5.173 -6.229 0.352) 8.105 4.508 ( 1.824 -4.998 0.692) 5.365 4.767 ( 1.532 -8.979 0.095) 9.109 4.965 ( -0.659 -4.437 -2.154) 4.976 5.087 ( -2.711 2.545 -8.648) 9.413 5.146 ( 6.075 -7.012 4.807) 10.449 5.189 ( -5.367 -1.175 4.626) 7.182 5.421 ( -0.175 7.158 -2.776) 7.680 5.590 ( 3.627 -1.098 13.378) 13.904 5.670 ( 6.113 0.871 -3.652) 7.174 5.772 ( -4.709 -0.589 3.372) 5.821 5.965 ( 2.228 4.293 1.459) 5.052 6.036 ( 6.924 9.179 -4.985) 12.532 6.265 ( 2.280 2.803 1.189) 3.803 6.363 ( -10.608 3.820 5.416) 12.508 6.524 ( -2.170 -3.852 0.359) 4.435 6.614 ( 3.803 0.453 -8.376) 9.210 6.849 ( 4.356 -3.945 6.459) 8.733 6.944 ( -7.668 -4.214 -1.104) 8.819 7.036 ( -1.765 1.441 -4.135) 4.721 7.150 ( -6.367 -0.070 -2.833) 6.969 7.542 ( 1.553 0.365 -1.089) 1.932 7.602 ( 3.799 -0.551 -2.468) 4.564 7.919 ( 1.205 1.128 -10.018) 10.153 7.962 ( -10.083 -0.215 0.372) 10.092 8.154 ( -1.472 1.948 -3.638) 4.381 8.361 ( 0.194 0.392 -9.505) 9.516 8.674 ( 6.023 -1.123 -3.360) 6.988 8.732 ( 2.642 0.564 -2.735) 3.844 8.952 ( 0.422 1.598 -5.528) 5.770 9.378 ( 11.135 -0.846 11.512) 16.038 9.422 ( -2.393 2.310 5.433) 6.370 9.848 ( -4.398 -0.292 -3.686) 5.746 9.997 ( -3.105 3.978 -4.784) 6.954 10.387 ( -2.471 -3.155 -0.530) 4.042 10.879 ( 8.506 -3.454 -0.031) 9.181 11.813 ( -2.532 -0.263 3.862) 4.625 12.224 ( 5.211 -0.070 2.367) 5.724 12.330 ( 5.960 -1.558 -2.656) 6.709 12.519 ( -0.021 2.598 -7.156) 7.613 12.686 ( -0.116 1.613 -3.840) 4.167 13.133 ( -4.748 -1.021 -16.723) 17.414 13.438 ( 1.963 0.468 0.570) 2.097 13.772 ( -2.185 -0.020 -3.241) 3.909 13.782 ( -2.419 -0.725 -0.664) 2.611 13.964 ( 0.037 -2.046 1.520) 2.549 15.723 ( -5.548 1.030 0.404) 5.657 16.435 ( -2.291 2.347 2.754) 4.283 16.729 ( 2.443 -1.274 4.808) 5.541 16.881 ( 2.190 -2.653 2.464) 4.232 17.150 ( -2.150 0.870 1.703) 2.877 17.519 ( 3.826 -3.883 6.262) 8.302 18.667 ( 1.915 -4.920 1.614) 5.521 20.572 ( -0.890 3.814 5.001) 6.352 20.885 ( -0.598 -2.932 2.820) 4.112 21.068 ( 2.434 1.319 4.244) 5.067 21.254 ( 6.016 -1.256 -11.907) 13.399 21.376 ( -0.982 2.650 -1.254) 3.092 21.641 ( 2.948 2.323 -4.637) 5.966 22.172 ( 1.250 0.158 -15.086) 15.139 22.780 ( -10.705 13.295 -5.819) 18.033 23.369 ( -1.040 -2.889 12.643) 13.010 23.478 ( -1.938 0.678 7.148) 7.437 24.084 ( 5.015 -2.605 0.873) 5.718 25.421 ( -1.376 -3.419 10.746) 11.361 25.636 ( -0.992 4.330 7.461) 8.683 26.074 ( 6.342 1.497 -5.449) 8.494 26.619 ( 2.529 -0.080 -6.233) 6.728 26.712 ( -0.250 -1.537 -14.127) 14.213 27.099 ( 0.001 -1.008 2.364) 2.570 27.160 ( -0.186 -1.827 0.191) 1.847 27.631 ( 2.246 0.975 -7.201) 7.606 27.966 ( -1.222 -2.531 -8.855) 9.290 28.423 ( -1.469 9.802 -4.715) 10.976 28.569 ( 4.328 10.225 -5.447) 12.367 28.998 ( 4.238 -6.372 1.276) 7.758 29.549 ( -0.364 -1.806 -0.058) 1.844 30.269 ( -0.360 -4.584 0.265) 4.606 30.423 ( -3.148 -0.608 -4.104) 5.208 30.785 ( -1.502 0.189 -3.719) 4.015 31.166 ( 1.548 1.109 5.218) 5.555 31.703 ( -0.375 0.601 -4.234) 4.293 32.352 ( -1.214 1.378 -0.023) 1.837 32.873 ( -0.979 -1.586 5.737) 6.032 46.276 ( -1.028 1.428 9.167) 9.335 46.389 ( -3.604 -1.494 6.689) 7.743 47.893 ( 0.419 -1.478 -1.054) 1.863 48.043 ( 1.443 0.501 -4.334) 4.595 48.123 ( 0.721 1.887 -4.068) 4.542 48.515 ( 1.954 -0.201 -2.539) 3.210 48.822 ( 0.023 0.333 -1.941) 1.969 49.482 ( -0.227 -0.481 -0.313) 0.617 87.971 ( 2.051 -1.019 -1.267) 2.617 87.995 ( -0.799 1.257 -1.530) 2.136 89.081 ( -0.912 0.236 3.900) 4.012 89.246 ( -3.832 0.760 0.715) 3.972 89.505 ( -2.660 1.785 -7.629) 8.274 90.277 ( 13.699 -9.692 -3.062) 17.058 91.576 ( -0.944 3.397 4.073) 5.387 92.563 ( -7.113 -1.672 5.906) 9.395 97.528 ( -0.462 -3.527 0.386) 3.578 97.786 ( 0.604 5.576 0.646) 5.646 97.898 ( -1.895 2.445 2.701) 4.107 98.349 ( -2.570 -3.419 2.609) 5.010 99.445 ( -0.909 6.527 -0.390) 6.602 99.541 ( 0.846 3.537 -1.976) 4.139 99.755 ( 2.122 -5.967 -1.423) 6.491 100.005 ( 4.602 -7.302 -3.720) 9.399 ======================= Grid point 165 (88/118) ======================= q-point: ( 0.33 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -6.832 0.000 26.311) 27.184 3.304 ( 2.384 -0.000 36.275) 36.354 3.724 ( 1.636 -0.000 11.040) 11.160 3.956 ( -11.089 0.000 1.775) 11.230 4.309 ( -0.708 0.000 -1.613) 1.761 4.634 ( 0.321 -0.000 -4.277) 4.289 4.809 ( 6.421 -0.000 -4.952) 8.109 4.903 ( -11.718 0.000 9.102) 14.838 5.004 ( -1.874 0.000 -0.670) 1.990 5.297 ( -9.277 0.000 26.291) 27.879 5.348 ( 7.576 -0.000 -4.416) 8.769 5.529 ( 3.200 -0.000 -1.674) 3.611 5.853 ( 0.097 -0.000 6.875) 6.876 5.866 ( -0.369 0.000 -4.594) 4.609 6.151 ( -0.897 0.000 -11.115) 11.151 6.177 ( 5.015 -0.000 -8.091) 9.519 6.243 ( -2.940 0.000 4.092) 5.039 6.470 ( -1.845 0.000 -6.871) 7.115 6.521 ( -1.640 0.000 2.210) 2.751 6.595 ( 2.260 -0.000 -8.886) 9.169 6.732 ( -3.470 0.000 -1.251) 3.688 7.027 ( -1.072 0.000 0.733) 1.299 7.168 ( 0.084 -0.000 -1.478) 1.481 7.196 ( -0.648 0.000 -0.363) 0.743 7.521 ( 0.971 -0.000 3.209) 3.353 7.851 ( 2.910 -0.000 3.316) 4.412 8.028 ( 7.884 -0.000 4.579) 9.118 8.078 ( 1.587 -0.000 8.595) 8.741 8.145 ( -9.054 0.000 -10.085) 13.553 8.434 ( 3.611 -0.000 -7.188) 8.044 8.692 ( -1.416 0.000 5.901) 6.069 8.755 ( -8.904 0.000 -19.138) 21.108 8.906 ( 5.174 -0.000 -2.645) 5.811 9.023 ( 1.816 -0.000 -2.617) 3.185 9.512 ( 1.929 -0.000 6.988) 7.249 9.922 ( 0.447 -0.000 3.030) 3.063 10.145 ( 2.453 -0.000 -13.641) 13.860 10.287 ( -2.057 0.000 9.139) 9.368 10.469 ( 7.507 -0.000 -1.890) 7.742 11.888 ( 1.213 -0.000 0.712) 1.407 12.116 ( -1.182 0.000 0.102) 1.187 12.247 ( -2.637 0.000 -10.555) 10.880 12.570 ( 2.232 -0.000 -7.279) 7.614 12.624 ( 3.010 -0.000 2.246) 3.755 13.320 ( 7.334 -0.000 1.742) 7.538 13.418 ( 3.254 -0.000 2.221) 3.940 13.553 ( -11.615 0.000 -6.569) 13.344 13.923 ( 0.800 -0.000 3.292) 3.387 13.935 ( 2.290 -0.000 -4.240) 4.819 15.826 ( 2.795 -0.000 5.146) 5.856 16.388 ( 0.433 -0.000 4.627) 4.647 16.624 ( -2.198 0.000 -0.118) 2.201 17.086 ( -0.764 0.000 10.980) 11.007 17.088 ( -0.910 0.000 -9.424) 9.467 17.449 ( -5.037 0.000 -0.606) 5.074 18.893 ( -26.880 0.000 1.932) 26.950 20.216 ( 25.943 -0.000 1.255) 25.973 20.647 ( -0.051 0.000 -1.058) 1.059 21.188 ( -0.802 0.000 -3.682) 3.769 21.431 ( 1.967 -0.000 -1.784) 2.655 21.508 ( 0.430 -0.000 1.875) 1.924 21.665 ( 0.785 -0.000 -9.294) 9.327 22.044 ( 4.257 -0.000 -13.978) 14.612 23.099 ( 2.036 -0.000 21.728) 21.823 23.544 ( -3.431 0.000 3.223) 4.707 23.613 ( 10.610 -0.000 1.885) 10.776 23.907 ( -8.653 0.000 -15.554) 17.799 25.273 ( -5.618 0.000 11.344) 12.659 25.964 ( 4.147 -0.000 -4.438) 6.075 26.072 ( -4.834 0.000 3.718) 6.098 26.348 ( 2.890 -0.000 -10.602) 10.989 26.718 ( 2.034 -0.000 -10.404) 10.601 27.246 ( -2.801 0.000 -4.662) 5.439 27.315 ( 3.036 -0.000 1.819) 3.539 27.560 ( 2.328 -0.000 -8.055) 8.384 27.946 ( -2.064 0.000 -2.875) 3.539 28.374 ( 6.408 -0.000 5.659) 8.549 28.510 ( 9.401 -0.000 -0.879) 9.442 29.368 ( 2.387 -0.000 -10.247) 10.521 29.392 ( -5.790 0.000 -3.028) 6.534 30.214 ( -3.395 0.000 -2.901) 4.465 30.319 ( -0.478 0.000 6.919) 6.936 30.872 ( 2.767 -0.000 -7.070) 7.592 31.258 ( -5.695 0.000 -2.677) 6.293 31.592 ( 5.432 -0.000 4.545) 7.083 32.363 ( 2.981 -0.000 0.081) 2.982 32.799 ( -2.527 0.000 8.454) 8.824 46.312 ( -2.776 0.000 9.878) 10.261 46.340 ( -1.819 0.000 6.868) 7.105 47.861 ( -0.549 0.000 -1.149) 1.273 48.064 ( 1.499 -0.000 -5.193) 5.405 48.178 ( 3.004 -0.000 -4.548) 5.450 48.445 ( -0.030 0.000 -1.131) 1.131 48.813 ( 0.714 -0.000 -0.395) 0.816 49.510 ( -0.301 0.000 -1.647) 1.674 87.919 ( 0.158 -0.000 -1.429) 1.437 88.095 ( 0.309 -0.000 -3.401) 3.415 89.133 ( -0.566 0.000 6.604) 6.628 89.221 ( 1.583 -0.000 6.501) 6.691 89.502 ( 5.660 -0.000 -3.913) 6.881 90.102 ( -12.085 0.000 -14.397) 18.796 91.629 ( 4.084 -0.000 2.346) 4.710 92.443 ( -1.660 0.000 13.881) 13.980 97.463 ( -2.292 0.000 -0.044) 2.293 97.852 ( 4.906 -0.000 3.016) 5.759 97.999 ( 0.547 -0.000 2.859) 2.910 98.314 ( -2.645 0.000 5.357) 5.975 99.252 ( -1.479 0.000 0.719) 1.644 99.455 ( 0.679 -0.000 -1.848) 1.969 99.798 ( -2.132 0.000 -3.812) 4.368 100.191 ( 0.338 -0.000 -12.155) 12.160 ======================= Grid point 167 (89/118) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -4.005 -1.667 28.944) 29.267 3.524 ( 9.674 10.714 31.215) 34.391 3.786 ( -12.971 -5.096 3.101) 14.277 3.880 ( 6.903 -4.869 9.328) 12.585 4.222 ( -8.414 -7.543 -13.414) 17.539 4.594 ( -0.574 5.340 -1.106) 5.483 4.817 ( 6.482 2.761 16.367) 17.819 4.932 ( -3.490 1.564 -0.447) 3.850 5.024 ( 0.861 -10.744 2.940) 11.172 5.310 ( -3.954 -0.729 23.643) 23.982 5.433 ( 3.434 6.438 -1.246) 7.403 5.575 ( 6.751 -1.448 -2.510) 7.347 5.795 ( -2.584 4.122 1.345) 5.048 5.940 ( 3.226 -1.832 -3.803) 5.313 5.981 ( -9.919 -0.277 -2.671) 10.276 6.171 ( 1.702 2.904 -6.340) 7.178 6.258 ( 0.921 -0.394 4.676) 4.782 6.436 ( -1.207 -2.004 -2.143) 3.173 6.524 ( -4.893 -1.981 -11.359) 12.526 6.566 ( 1.187 -2.690 3.867) 4.858 6.712 ( 3.193 1.508 -7.516) 8.304 6.982 ( -2.905 0.974 -0.469) 3.099 7.172 ( -0.776 0.875 -2.768) 3.005 7.197 ( 3.584 0.131 -3.919) 5.313 7.521 ( 0.058 4.557 -0.721) 4.614 7.770 ( -7.053 0.409 -4.256) 8.248 7.938 ( -8.299 -1.742 -12.278) 14.922 8.096 ( -4.837 -0.862 10.098) 11.230 8.165 ( 1.414 -1.078 8.526) 8.709 8.431 ( -5.657 -1.213 -4.276) 7.194 8.591 ( 2.833 -0.859 -14.353) 14.655 8.701 ( 4.871 1.268 -3.202) 5.965 9.013 ( -0.683 0.056 -5.044) 5.091 9.089 ( 11.010 -0.373 10.993) 15.563 9.548 ( -0.174 1.402 5.148) 5.338 9.946 ( 3.104 2.906 -0.612) 4.296 10.168 ( 1.020 1.861 -0.923) 2.315 10.250 ( -2.576 -3.083 -1.652) 4.344 10.629 ( 10.095 -0.946 -0.143) 10.141 11.860 ( -3.244 0.169 -3.852) 5.039 12.131 ( 2.487 -0.517 0.828) 2.672 12.226 ( 4.188 -0.188 -4.011) 5.802 12.564 ( 0.175 -1.175 -8.345) 8.429 12.694 ( 2.880 -0.303 3.362) 4.437 13.312 ( -9.200 0.320 -14.326) 17.029 13.427 ( 5.091 2.902 4.945) 7.668 13.531 ( 5.102 -4.349 2.378) 7.114 13.902 ( -1.345 2.217 1.467) 2.979 13.951 ( -1.010 -1.419 -3.212) 3.654 15.838 ( -2.996 0.365 1.138) 3.226 16.429 ( 1.208 -0.893 4.671) 4.906 16.638 ( 2.432 -0.227 2.957) 3.835 16.968 ( -4.180 3.800 -6.555) 8.653 17.151 ( -0.104 -2.430 7.628) 8.006 17.369 ( -4.085 -0.236 1.351) 4.310 18.574 ( -14.483 -3.200 2.092) 14.979 20.572 ( 17.010 4.484 3.806) 17.998 20.691 ( 3.031 -4.191 -0.489) 5.195 21.145 ( 0.626 2.885 -1.487) 3.305 21.359 ( -7.284 -0.221 0.014) 7.287 21.526 ( 1.390 6.117 -5.744) 8.506 21.659 ( 5.518 -0.891 -5.614) 7.922 22.079 ( 3.570 -4.316 -14.179) 15.245 23.201 ( -1.766 -0.751 21.401) 21.487 23.452 ( -8.150 3.289 -1.667) 8.945 23.638 ( -6.314 5.156 -12.476) 14.903 23.834 ( 9.186 -3.348 0.540) 9.792 25.253 ( -4.118 -1.729 12.104) 12.902 25.948 ( -2.871 6.255 -0.979) 6.952 26.054 ( 5.462 1.116 2.001) 5.923 26.388 ( 0.874 -8.800 -12.040) 14.938 26.677 ( 0.508 1.461 -10.268) 10.383 27.167 ( -1.550 2.849 -0.947) 3.379 27.337 ( 0.878 3.330 -1.026) 3.594 27.582 ( 2.854 -1.976 -7.403) 8.176 27.904 ( -2.539 -2.854 -5.827) 6.968 28.524 ( 6.235 -1.244 5.444) 8.370 28.689 ( 12.391 2.228 4.001) 13.210 29.166 ( -3.429 11.559 -6.288) 13.598 29.423 ( -2.968 -7.675 -6.297) 10.362 30.163 ( -1.349 -0.198 -1.030) 1.709 30.338 ( -2.210 -3.643 0.943) 4.364 30.862 ( 0.721 0.372 -9.314) 9.350 31.180 ( -3.219 0.153 2.892) 4.330 31.686 ( 4.074 -0.165 0.034) 4.077 32.400 ( 1.419 0.582 0.389) 1.582 32.810 ( -1.404 -0.398 8.810) 8.930 46.312 ( -1.753 1.073 9.572) 9.790 46.345 ( -2.599 -1.244 7.056) 7.622 47.852 ( -0.259 -0.468 -0.825) 0.983 48.062 ( 1.557 0.379 -5.360) 5.595 48.190 ( 1.606 0.707 -5.489) 5.763 48.464 ( 2.147 -0.396 0.067) 2.184 48.825 ( 0.689 -0.182 -0.503) 0.872 49.490 ( -0.955 0.058 -1.835) 2.069 87.922 ( 0.600 -0.423 -1.088) 1.313 88.070 ( -0.748 0.721 -3.300) 3.460 89.133 ( -0.556 2.614 5.446) 6.066 89.268 ( -0.855 -1.083 5.126) 5.309 89.622 ( 6.644 -3.513 -5.041) 9.050 89.857 ( -7.762 -0.150 -8.778) 11.719 91.678 ( 1.660 1.569 1.497) 2.731 92.506 ( 0.389 -1.005 12.488) 12.534 97.440 ( -1.431 -1.304 -0.026) 1.936 97.924 ( 4.484 3.541 3.088) 6.495 98.013 ( -1.052 -0.042 2.622) 2.826 98.290 ( -2.755 0.048 4.964) 5.677 99.285 ( 0.464 -6.389 0.910) 6.470 99.484 ( 0.814 -3.868 -1.547) 4.244 99.724 ( -2.033 3.373 -2.713) 4.782 100.097 ( -0.938 4.000 -12.791) 13.434 ======================= Grid point 168 (90/118) ======================= q-point: (-0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -1.713 -4.838 30.403) 30.833 3.541 ( -9.769 2.007 14.895) 17.925 3.726 ( -3.409 5.322 20.942) 21.875 3.930 ( -8.809 -5.528 -4.222) 11.224 4.325 ( 4.851 -8.917 5.259) 11.432 4.547 ( 0.478 -3.192 0.196) 3.234 4.883 ( -1.580 -2.359 -3.426) 4.450 5.025 ( 5.412 -2.211 10.536) 12.049 5.114 ( -0.785 -5.328 -1.881) 5.705 5.296 ( -2.779 10.731 -0.489) 11.096 5.451 ( 5.077 -2.865 21.155) 21.944 5.633 ( -3.768 7.644 -3.435) 9.189 5.704 ( 1.621 -1.956 -1.509) 2.955 5.831 ( -0.343 3.372 -3.056) 4.564 6.037 ( 4.800 -0.515 -0.243) 4.833 6.191 ( 7.865 2.952 0.030) 8.401 6.280 ( -2.094 0.807 3.877) 4.480 6.402 ( -5.386 -2.203 -4.857) 7.579 6.444 ( -0.855 -2.202 1.894) 3.028 6.689 ( 3.002 -5.533 8.439) 10.528 6.710 ( 7.381 4.991 -11.275) 14.371 6.901 ( -4.528 1.385 -3.694) 6.006 7.111 ( -1.890 3.534 -3.574) 5.370 7.162 ( -4.542 1.629 -4.671) 6.716 7.461 ( 2.350 -3.279 -12.193) 12.843 7.681 ( -3.962 0.195 -0.122) 3.968 7.806 ( -5.724 -3.138 -10.544) 12.401 8.038 ( -5.367 2.347 10.502) 12.025 8.195 ( -1.340 0.320 1.592) 2.106 8.333 ( -2.671 -2.245 -3.811) 5.168 8.667 ( 7.956 0.524 -5.029) 9.427 8.744 ( 2.329 0.703 -2.878) 3.768 8.967 ( -0.316 -0.458 -8.566) 8.584 9.361 ( 12.953 -0.242 14.254) 19.262 9.520 ( -0.819 4.052 4.945) 6.445 9.897 ( -5.545 4.143 -2.215) 7.268 10.068 ( -2.688 1.025 -4.284) 5.161 10.304 ( -0.099 -2.782 -0.263) 2.796 10.799 ( 7.589 -2.259 -1.587) 8.076 11.788 ( -3.767 -1.494 -1.873) 4.464 12.220 ( 6.616 -0.182 2.017) 6.919 12.308 ( 5.689 -0.369 -2.611) 6.270 12.529 ( -0.942 -1.021 -8.753) 8.863 12.735 ( 1.071 1.373 1.947) 2.612 13.105 ( -7.220 -1.059 -16.728) 18.250 13.481 ( 3.390 3.053 2.919) 5.416 13.689 ( 5.104 -4.202 1.757) 6.841 13.836 ( -3.717 2.842 1.463) 4.903 13.926 ( -0.690 -0.813 -3.224) 3.396 15.756 ( -4.959 1.242 0.792) 5.173 16.474 ( -0.268 0.002 3.567) 3.577 16.698 ( 2.340 -0.080 2.699) 3.573 16.854 ( -2.226 0.333 -0.932) 2.436 17.166 ( -3.055 -0.171 2.027) 3.670 17.392 ( 0.911 -4.694 6.648) 8.189 18.522 ( 0.638 -5.383 1.271) 5.568 20.694 ( 1.328 3.963 4.057) 5.825 20.762 ( -1.511 -3.257 0.098) 3.592 21.174 ( 4.450 3.628 4.235) 7.135 21.224 ( -5.229 -1.472 -5.289) 7.582 21.437 ( 1.051 4.292 -4.933) 6.623 21.732 ( 6.627 2.806 -6.205) 9.503 22.126 ( 3.675 -3.487 -13.974) 14.864 23.112 ( -12.134 10.422 -6.534) 17.278 23.298 ( -2.129 -2.362 16.054) 16.366 23.513 ( -1.487 2.304 -0.492) 2.786 24.004 ( 5.011 -3.235 0.528) 5.988 25.307 ( -0.971 -4.263 12.432) 13.179 25.797 ( -4.279 7.123 2.752) 8.754 26.127 ( 4.963 2.577 -3.225) 6.456 26.494 ( 2.172 -12.416 -12.208) 17.548 26.628 ( 0.893 0.597 -8.171) 8.241 27.126 ( -0.180 1.814 1.792) 2.557 27.247 ( -1.836 6.703 -3.043) 7.587 27.624 ( 2.965 -1.461 -6.794) 7.556 27.889 ( 0.116 -2.993 -7.188) 7.787 28.630 ( 5.193 3.654 2.134) 6.699 28.853 ( 8.456 7.694 -0.413) 11.440 28.940 ( -2.191 6.533 -2.734) 7.413 29.435 ( -3.149 -6.860 -3.227) 8.209 30.171 ( 0.313 -2.342 0.745) 2.478 30.352 ( -1.599 -4.295 -3.277) 5.634 30.805 ( -1.002 1.082 -7.537) 7.680 31.180 ( 0.243 -0.174 6.504) 6.511 31.719 ( 1.129 0.552 -4.421) 4.596 32.394 ( -0.794 1.579 1.284) 2.184 32.836 ( -1.486 -1.081 7.622) 7.841 46.313 ( -1.593 1.037 8.721) 8.925 46.350 ( -2.645 -1.073 7.559) 8.080 47.857 ( 0.038 -1.084 -0.735) 1.310 48.058 ( 1.686 0.533 -5.172) 5.466 48.168 ( 0.583 1.352 -5.050) 5.260 48.512 ( 2.929 -0.059 -1.048) 3.112 48.831 ( 0.424 0.254 -1.103) 1.209 49.468 ( -0.811 -0.453 -1.178) 1.500 87.942 ( 1.206 -1.073 -0.877) 1.837 88.028 ( -1.127 1.018 -2.670) 3.072 89.112 ( -0.655 2.212 4.902) 5.418 89.261 ( -2.728 0.295 3.073) 4.120 89.567 ( -4.177 3.113 -8.464) 9.939 89.967 ( 7.806 -12.905 -3.157) 15.409 91.658 ( -1.841 2.419 2.189) 3.746 92.568 ( 0.898 1.921 9.864) 10.089 97.448 ( -0.545 -2.415 0.122) 2.479 97.942 ( 2.959 5.671 2.183) 6.759 97.971 ( -2.830 2.646 2.583) 4.656 98.280 ( -1.831 -1.261 4.187) 4.740 99.429 ( 2.208 -10.073 0.824) 10.345 99.564 ( 1.429 -6.419 -1.438) 6.732 99.631 ( -1.469 4.698 -0.629) 4.962 99.964 ( -1.384 3.683 -11.467) 12.123 ======================= Grid point 169 (91/118) ======================= q-point: (-0.17 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -0.791 -7.733 28.641) 29.677 3.347 ( -18.600 0.957 13.916) 23.250 3.604 ( -15.794 2.668 22.908) 27.953 3.905 ( -3.930 -4.867 12.749) 14.201 4.425 ( -0.551 -5.520 -2.447) 6.063 4.737 ( 5.984 -6.888 1.789) 9.298 4.843 ( -6.436 -3.220 -8.106) 10.840 4.975 ( -8.009 -1.423 -0.805) 8.174 5.104 ( -1.280 5.827 -1.836) 6.242 5.277 ( 2.445 -0.683 4.990) 5.598 5.514 ( 4.983 4.790 -3.935) 7.954 5.656 ( 1.744 -5.302 8.098) 9.835 5.684 ( -3.794 0.288 -1.918) 4.261 5.834 ( 9.466 4.174 -3.912) 11.060 6.117 ( 4.528 6.885 -3.865) 9.102 6.204 ( -7.855 0.850 8.412) 11.540 6.322 ( 15.720 2.829 2.592) 16.181 6.396 ( 2.878 -0.040 -1.740) 3.364 6.504 ( 2.787 -1.169 5.916) 6.643 6.659 ( 1.302 7.297 -8.537) 11.306 6.756 ( -7.442 -1.704 -3.167) 8.266 6.903 ( 4.210 -6.665 11.811) 14.200 7.005 ( -2.033 2.548 -0.636) 3.321 7.137 ( 6.547 0.555 -1.209) 6.681 7.519 ( 2.549 -2.677 -7.874) 8.698 7.583 ( -6.336 -0.669 -6.557) 9.143 7.698 ( -8.484 -4.138 -6.194) 11.290 7.992 ( 0.946 2.581 3.011) 4.077 8.176 ( 2.243 2.943 -0.557) 3.742 8.353 ( 1.928 -2.268 -2.581) 3.940 8.689 ( -2.866 1.028 0.292) 3.058 8.805 ( 7.839 0.175 -3.516) 8.594 8.958 ( 3.085 -1.604 -10.327) 10.897 9.423 ( -1.288 5.314 3.117) 6.294 9.648 ( -14.597 1.855 -5.946) 15.870 9.692 ( 13.087 0.016 16.967) 21.428 10.044 ( 3.326 2.433 -6.426) 7.634 10.277 ( -5.131 -1.154 -0.476) 5.281 10.878 ( -1.955 -3.234 -5.635) 6.785 11.766 ( -2.355 -2.645 2.219) 4.179 12.324 ( 2.416 1.263 1.854) 3.297 12.390 ( 5.339 -1.379 -4.228) 6.949 12.491 ( 0.409 -0.280 -7.238) 7.255 12.711 ( -0.103 3.170 -2.128) 3.820 12.978 ( -0.553 -2.118 -12.945) 13.129 13.474 ( -0.828 2.598 -0.168) 2.732 13.728 ( -3.233 1.670 -0.246) 3.648 13.814 ( 5.502 0.678 -0.881) 5.613 13.936 ( -0.565 -1.801 1.725) 2.557 15.678 ( -2.656 1.776 3.428) 4.686 16.435 ( -2.828 2.403 2.510) 4.480 16.757 ( 0.869 -1.544 2.754) 3.274 16.877 ( 1.311 -3.959 1.656) 4.487 17.117 ( -3.394 -0.110 2.046) 3.965 17.509 ( 0.411 -5.481 4.564) 7.144 18.746 ( 15.714 -7.383 0.084) 17.362 20.462 ( -21.080 4.302 4.672) 22.016 20.846 ( 1.766 -4.665 0.166) 4.991 21.037 ( -4.609 3.443 -5.754) 8.136 21.305 ( 1.888 -1.623 2.293) 3.385 21.444 ( 6.595 0.537 -4.358) 7.923 21.737 ( 3.921 5.210 -7.778) 10.149 22.151 ( 4.176 0.486 -13.069) 13.729 22.806 ( -3.632 10.688 0.727) 11.311 23.374 ( -0.965 -2.164 10.815) 11.071 23.491 ( -0.417 0.252 5.760) 5.780 24.087 ( 0.099 -3.894 -1.449) 4.156 25.408 ( -1.349 -2.801 11.086) 11.514 25.692 ( -1.223 2.257 5.231) 5.827 26.127 ( 1.032 0.126 -7.014) 7.090 26.606 ( 1.657 -3.172 -11.253) 11.809 26.627 ( 2.690 -2.941 -7.849) 8.804 27.117 ( -1.419 -0.352 1.764) 2.291 27.149 ( 1.704 2.934 -1.237) 3.611 27.647 ( 2.326 0.132 -6.089) 6.520 27.918 ( 3.419 -1.919 -7.838) 8.764 28.545 ( -0.786 14.003 -3.758) 14.520 28.731 ( 1.548 10.019 -5.907) 11.733 28.989 ( 1.959 -4.736 -1.003) 5.223 29.499 ( 1.221 -5.597 1.826) 6.013 30.222 ( 0.859 -2.194 1.301) 2.691 30.359 ( -0.986 -2.544 -3.728) 4.620 30.760 ( 0.361 0.274 -3.729) 3.756 31.242 ( 3.091 0.142 7.695) 8.294 31.666 ( -2.731 1.469 -6.566) 7.262 32.354 ( -1.678 2.028 1.415) 2.989 32.849 ( -2.725 -1.290 6.336) 7.017 46.312 ( -2.325 0.135 8.265) 8.587 46.353 ( -2.000 0.129 7.792) 8.045 47.872 ( 0.140 -1.411 -0.945) 1.704 48.055 ( 1.568 0.549 -4.793) 5.073 48.139 ( 0.865 1.324 -4.245) 4.530 48.536 ( 1.445 0.773 -3.027) 3.442 48.823 ( 0.272 0.704 -1.482) 1.663 49.469 ( 0.135 -1.032 -0.294) 1.081 87.977 ( 0.538 -0.715 -2.178) 2.354 87.992 ( 0.445 -0.093 -0.893) 1.002 89.109 ( 0.118 1.357 5.735) 5.895 89.202 ( -3.788 1.612 1.567) 4.405 89.460 ( -1.169 1.364 -4.704) 5.036 90.246 ( 5.559 -15.020 -8.879) 18.312 91.588 ( -4.025 2.367 3.786) 6.011 92.565 ( -0.384 5.800 8.725) 10.484 97.483 ( 0.179 -3.065 0.459) 3.105 97.849 ( -3.037 5.812 0.578) 6.583 97.953 ( 1.919 3.500 3.234) 5.137 98.294 ( -1.245 -1.737 4.050) 4.580 99.500 ( -0.999 4.128 -0.775) 4.317 99.584 ( 1.337 1.025 0.461) 1.747 99.684 ( 1.247 -7.858 -2.575) 8.362 99.916 ( 0.502 -7.506 -7.592) 10.688 ======================= Grid point 173 (92/118) ======================= q-point: (-0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -3.276 -0.000 28.937) 29.122 3.496 ( -16.580 -0.000 6.887) 17.954 3.820 ( -13.459 -0.000 -2.347) 13.662 4.012 ( 10.861 0.000 6.006) 12.411 4.024 ( 3.488 -0.000 25.187) 25.427 4.641 ( 0.436 -0.000 -0.284) 0.520 4.788 ( -8.428 -0.000 -6.270) 10.505 5.000 ( 3.634 -0.000 11.270) 11.842 5.007 ( 3.312 -0.000 -0.160) 3.316 5.423 ( 1.873 -0.000 24.696) 24.767 5.510 ( -1.059 -0.000 -1.146) 1.560 5.652 ( 5.982 -0.000 -3.701) 7.034 5.761 ( -9.746 0.000 -1.028) 9.800 5.833 ( 3.236 -0.000 -8.977) 9.543 6.008 ( 9.145 -0.000 2.894) 9.592 6.250 ( 6.447 -0.000 0.056) 6.447 6.293 ( -2.285 -0.000 9.636) 9.903 6.353 ( -7.023 -0.000 -5.152) 8.710 6.405 ( -0.199 -0.000 -1.475) 1.489 6.591 ( 2.946 -0.000 4.668) 5.519 6.792 ( 8.242 -0.000 -9.079) 12.262 6.939 ( -1.135 -0.000 -3.431) 3.614 7.170 ( -0.476 -0.000 -0.547) 0.725 7.226 ( 1.680 -0.000 -9.603) 9.749 7.430 ( -8.167 0.000 -16.947) 18.812 7.561 ( -6.749 -0.000 -13.570) 15.156 7.831 ( -5.020 -0.000 1.447) 5.225 8.090 ( -0.542 -0.000 14.910) 14.920 8.165 ( -4.542 -0.000 7.076) 8.408 8.292 ( -3.840 -0.000 -2.467) 4.564 8.676 ( 8.995 -0.000 -6.086) 10.860 8.764 ( 2.422 -0.000 -2.686) 3.617 8.953 ( -1.819 -0.000 -8.513) 8.706 9.360 ( 13.476 -0.000 16.186) 21.062 9.578 ( 0.167 -0.000 2.733) 2.738 10.020 ( -13.951 -0.000 -3.759) 14.449 10.026 ( 3.893 0.000 -2.459) 4.605 10.267 ( 2.740 -0.000 -0.518) 2.788 10.770 ( 7.391 -0.000 -2.273) 7.733 11.763 ( -4.654 -0.000 -4.784) 6.674 12.217 ( 7.194 -0.000 1.855) 7.429 12.304 ( 6.011 -0.000 -3.036) 6.734 12.510 ( -1.257 -0.000 -7.387) 7.493 12.749 ( 1.465 -0.000 3.560) 3.849 13.089 ( -7.889 -0.000 -16.212) 18.030 13.568 ( 3.854 -0.000 -1.391) 4.098 13.592 ( 5.479 0.000 7.521) 9.305 13.887 ( -2.905 -0.000 1.195) 3.141 13.911 ( 0.013 -0.000 -3.489) 3.489 15.774 ( -4.636 -0.000 0.825) 4.709 16.462 ( 0.927 -0.000 3.976) 4.082 16.711 ( 3.596 -0.000 3.516) 5.030 16.866 ( -5.838 -0.000 -7.652) 9.625 17.145 ( -2.999 -0.000 6.267) 6.947 17.335 ( -1.136 -0.000 6.297) 6.399 18.443 ( 0.382 -0.000 1.113) 1.177 20.678 ( 1.805 -0.000 -0.425) 1.855 20.805 ( -1.725 -0.000 3.915) 4.278 21.153 ( 0.157 -0.000 -0.265) 0.308 21.247 ( -3.494 -0.000 2.041) 4.046 21.567 ( -0.805 -0.000 -10.432) 10.463 21.721 ( 8.442 -0.000 -4.443) 9.539 22.069 ( 6.150 -0.000 -13.231) 14.590 23.251 ( -3.080 -0.000 20.759) 20.986 23.263 ( -13.186 0.000 -7.747) 15.294 23.560 ( -0.962 -0.000 -6.141) 6.216 23.952 ( 5.362 -0.000 0.788) 5.419 25.246 ( -2.002 -0.000 13.737) 13.883 25.927 ( -5.665 -0.000 0.852) 5.729 26.198 ( 10.113 -0.000 -0.342) 10.119 26.250 ( -2.017 0.000 -14.486) 14.625 26.638 ( -0.274 -0.000 -9.653) 9.657 27.151 ( -2.408 -0.000 2.860) 3.739 27.368 ( 0.430 -0.000 -4.030) 4.053 27.586 ( 3.364 -0.000 -7.249) 7.991 27.844 ( 0.913 -0.000 -6.071) 6.139 28.653 ( 5.600 -0.000 7.154) 9.085 28.940 ( 12.640 -0.000 3.304) 13.065 29.190 ( -4.852 0.000 -0.845) 4.925 29.232 ( -4.095 -0.000 -11.048) 11.782 30.155 ( 0.778 -0.000 -0.910) 1.198 30.270 ( -1.859 0.000 -1.864) 2.632 30.823 ( -0.231 -0.000 -10.036) 10.039 31.172 ( -0.746 -0.000 8.170) 8.204 31.727 ( 1.885 -0.000 -4.373) 4.762 32.417 ( -0.563 -0.000 1.890) 1.972 32.822 ( -1.645 -0.000 8.188) 8.351 46.316 ( -3.456 -0.000 7.327) 8.101 46.346 ( -0.595 -0.000 9.142) 9.161 47.843 ( -0.079 -0.000 -0.586) 0.591 48.065 ( 1.692 -0.000 -5.605) 5.855 48.186 ( 0.539 -0.000 -5.588) 5.613 48.511 ( 3.404 -0.000 -0.327) 3.420 48.834 ( 0.699 -0.000 -0.468) 0.842 49.462 ( -1.134 -0.000 -1.726) 2.065 87.926 ( 0.777 -0.000 -0.658) 1.018 88.041 ( -1.227 -0.000 -3.213) 3.440 89.157 ( -1.742 -0.000 4.499) 4.825 89.262 ( -1.854 -0.000 4.733) 5.083 89.691 ( 6.239 0.000 -5.687) 8.442 89.693 ( -5.246 -0.000 -5.856) 7.862 91.689 ( -2.373 -0.000 2.024) 3.119 92.607 ( 4.896 -0.000 10.043) 11.173 97.415 ( -0.480 -0.000 0.097) 0.490 98.002 ( -1.717 -0.000 3.052) 3.502 98.030 ( 2.588 -0.000 2.445) 3.560 98.276 ( -1.286 -0.000 5.309) 5.463 99.257 ( 1.562 -0.000 -0.240) 1.580 99.460 ( 0.367 -0.000 -1.463) 1.508 99.705 ( -1.721 -0.000 -1.217) 2.108 100.029 ( -2.762 -0.000 -12.419) 12.722 ======================= Grid point 175 (93/118) ======================= q-point: (-0.33 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -2.551 -4.252 26.771) 27.227 3.293 ( -16.823 -2.454 14.160) 22.125 3.504 ( -23.726 -5.824 3.651) 24.702 4.044 ( 2.618 12.228 24.045) 27.103 4.374 ( 6.707 -7.600 7.848) 12.819 4.517 ( -4.417 0.492 1.196) 4.602 4.694 ( -8.640 -7.208 -7.754) 13.665 5.011 ( 0.488 2.947 -3.094) 4.301 5.156 ( 4.247 -4.766 3.598) 7.328 5.385 ( -3.100 8.325 2.193) 9.150 5.542 ( -2.129 -2.859 11.596) 12.131 5.638 ( 0.867 3.323 -4.802) 5.904 5.696 ( 0.547 -0.195 -4.783) 4.818 5.892 ( 9.708 0.887 -11.572) 15.131 6.222 ( 0.689 -0.932 6.631) 6.731 6.242 ( -0.492 0.353 8.731) 8.752 6.295 ( 1.478 3.874 -1.368) 4.367 6.408 ( 12.150 -1.758 4.423) 13.049 6.447 ( 4.463 -2.844 4.842) 7.173 6.708 ( 3.530 -2.220 7.121) 8.252 6.816 ( -2.700 1.541 -10.763) 11.203 6.902 ( 5.082 7.275 -6.673) 11.103 7.083 ( -3.193 4.104 -4.465) 6.853 7.157 ( 2.308 0.696 -0.780) 2.534 7.363 ( 0.426 -9.958 -17.001) 19.707 7.469 ( -0.704 -2.634 -12.328) 12.626 7.717 ( -8.378 1.961 6.377) 10.710 8.073 ( -4.539 2.734 3.468) 6.333 8.197 ( 1.771 -0.412 7.447) 7.666 8.287 ( 1.957 -2.486 0.097) 3.166 8.741 ( -1.855 2.324 0.092) 2.975 8.806 ( 8.465 -0.147 -2.756) 8.904 8.900 ( -0.992 -2.039 -7.671) 8.000 9.560 ( 1.114 4.460 0.116) 4.598 9.668 ( 8.561 -1.176 12.501) 15.197 9.728 ( -11.454 2.329 -3.460) 12.190 10.060 ( -0.299 -0.793 -1.365) 1.607 10.279 ( 0.651 0.827 -2.576) 2.783 10.821 ( -0.635 -1.110 -7.072) 7.187 11.695 ( -2.741 -2.008 -1.878) 3.883 12.353 ( 5.679 0.713 -0.739) 5.771 12.367 ( 3.966 -0.326 -4.129) 5.734 12.465 ( -0.175 -1.078 -5.182) 5.296 12.766 ( -0.401 1.001 2.476) 2.700 12.939 ( -1.178 -0.832 -12.816) 12.897 13.556 ( -0.782 3.358 -1.780) 3.880 13.694 ( -1.651 -3.396 2.269) 4.405 13.866 ( 3.347 2.606 2.137) 4.750 13.924 ( 2.898 0.080 -1.999) 3.521 15.717 ( -2.202 0.899 3.252) 4.029 16.480 ( -1.459 0.568 3.417) 3.758 16.730 ( -0.347 1.138 -0.876) 1.477 16.801 ( -1.072 -3.031 -0.849) 3.325 17.106 ( -4.442 -0.580 4.196) 6.137 17.390 ( 0.925 -2.650 7.246) 7.771 18.591 ( 13.870 -3.644 0.417) 14.347 20.563 ( -23.256 2.608 3.620) 23.680 20.724 ( 1.752 -2.969 -0.758) 3.530 21.147 ( -0.835 2.958 -1.935) 3.631 21.262 ( 1.984 -0.971 1.237) 2.532 21.492 ( 0.990 1.947 -8.254) 8.538 21.820 ( 5.328 0.831 -7.122) 8.934 22.138 ( 7.767 -0.535 -11.968) 14.277 23.018 ( -7.857 4.807 -0.341) 9.217 23.302 ( -3.389 -2.304 17.916) 18.379 23.536 ( 1.661 1.959 -2.212) 3.390 23.996 ( -1.688 -2.446 -1.131) 3.180 25.321 ( 0.750 -2.448 14.537) 14.761 25.791 ( -6.520 3.723 0.861) 7.557 26.135 ( -3.238 -0.412 -12.808) 13.217 26.411 ( 9.687 -5.803 -4.746) 12.249 26.600 ( 0.491 -0.555 -7.762) 7.797 27.125 ( -2.644 0.350 4.920) 5.596 27.307 ( 0.161 5.669 -5.040) 7.588 27.622 ( 3.184 -1.594 -7.213) 8.044 27.871 ( 4.489 -1.165 -6.086) 7.652 28.760 ( 3.685 0.022 6.248) 7.254 28.939 ( -6.019 9.575 -6.812) 13.203 29.045 ( 0.081 5.655 -6.884) 8.909 29.314 ( 5.157 -8.180 1.605) 9.802 30.175 ( 1.801 -0.693 0.012) 1.929 30.274 ( 0.683 -3.010 -2.659) 4.074 30.774 ( 0.200 0.476 -7.311) 7.329 31.233 ( 2.309 -0.509 10.553) 10.815 31.698 ( -1.545 0.782 -7.841) 8.030 32.399 ( -1.784 1.136 2.472) 3.254 32.826 ( -2.585 -0.443 7.400) 7.851 46.294 ( -3.911 -0.665 7.933) 8.870 46.377 ( -0.013 0.805 8.030) 8.070 47.845 ( 0.231 -0.567 -0.500) 0.790 48.066 ( 1.673 0.242 -5.495) 5.749 48.163 ( 0.182 0.480 -4.863) 4.890 48.554 ( 2.387 0.450 -2.504) 3.489 48.839 ( 0.547 0.406 -0.899) 1.128 49.446 ( -0.308 -0.557 -0.695) 0.942 87.944 ( 0.963 -0.894 -0.556) 1.427 88.005 ( -1.058 0.381 -2.545) 2.782 89.142 ( -1.078 0.871 5.327) 5.505 89.239 ( -2.858 0.877 3.885) 4.902 89.553 ( -1.017 6.382 -4.215) 7.715 89.857 ( 3.141 -13.423 -6.498) 15.241 91.632 ( -4.809 0.928 3.468) 6.001 92.714 ( 5.641 4.093 6.281) 9.382 97.425 ( 0.471 -1.237 0.377) 1.376 97.968 ( -2.847 2.617 2.825) 4.789 98.029 ( -0.766 1.815 1.430) 2.434 98.300 ( 1.850 1.584 5.078) 5.632 99.343 ( 2.445 -8.058 -0.850) 8.464 99.491 ( 0.296 -5.233 -1.629) 5.489 99.661 ( -1.092 2.783 1.203) 3.222 99.911 ( -2.923 2.199 -10.296) 10.926 ======================= Grid point 176 (94/118) ======================= q-point: (-0.17 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -20.361 -2.498 17.475) 26.947 3.096 ( -15.203 -5.841 20.708) 26.346 3.366 ( -7.177 -8.875 24.789) 27.291 4.056 ( 1.684 6.918 24.745) 25.749 4.339 ( -2.984 -0.841 -3.839) 4.935 4.569 ( -10.389 -6.843 -5.668) 13.670 4.780 ( 8.549 -8.920 5.292) 13.440 4.936 ( 0.511 5.729 -6.327) 8.551 5.154 ( -2.320 5.303 3.089) 6.561 5.285 ( -3.703 2.015 2.377) 4.840 5.559 ( -2.999 -1.630 6.128) 7.015 5.651 ( -1.386 2.326 -3.939) 4.779 5.689 ( 7.306 -1.195 -5.306) 9.108 6.023 ( 10.538 -0.160 -8.341) 13.441 6.114 ( -6.680 2.559 3.329) 7.890 6.205 ( -2.544 7.052 -2.993) 8.073 6.359 ( 5.563 -3.588 -3.434) 7.457 6.482 ( -9.221 1.089 -11.527) 14.802 6.601 ( 6.470 2.377 3.638) 7.794 6.718 ( 7.109 -5.533 9.175) 12.858 6.773 ( 0.990 6.824 -5.422) 8.772 6.989 ( -4.846 3.163 2.166) 6.179 7.049 ( 14.245 -1.138 10.496) 17.731 7.210 ( -1.581 -4.753 -7.426) 8.958 7.462 ( 8.088 -3.661 -5.853) 10.634 7.495 ( 2.657 -1.059 -2.836) 4.028 7.618 ( 0.906 2.033 6.386) 6.762 7.969 ( -5.225 -1.557 -4.536) 7.092 8.243 ( 1.893 1.209 3.330) 4.016 8.373 ( 3.438 -1.839 -1.362) 4.130 8.673 ( -2.142 2.939 3.893) 5.328 8.893 ( -0.443 -3.624 -1.267) 3.865 8.942 ( 8.451 0.181 -6.848) 10.879 9.341 ( -13.569 3.687 -14.014) 19.852 9.553 ( 0.034 4.513 0.963) 4.614 9.952 ( 8.381 -0.737 14.985) 17.185 10.020 ( -5.053 -1.117 3.207) 6.089 10.269 ( 5.015 3.047 -9.743) 11.374 10.695 ( -10.966 -1.314 -10.174) 15.016 11.708 ( -0.072 -3.529 1.426) 3.807 12.326 ( -2.584 1.542 -4.575) 5.475 12.366 ( -1.673 -1.050 -9.037) 9.250 12.522 ( 3.945 -0.751 -1.062) 4.154 12.739 ( 0.514 2.602 -1.400) 2.999 12.993 ( 8.998 -1.093 -2.013) 9.285 13.470 ( -2.683 2.553 -1.417) 3.966 13.664 ( -4.346 -2.284 -1.901) 5.265 13.926 ( 4.011 2.883 3.490) 6.048 13.963 ( 3.985 1.564 -2.756) 5.091 15.714 ( 1.345 1.683 5.929) 6.308 16.432 ( -2.781 2.242 3.821) 5.231 16.737 ( -1.409 -1.593 -0.478) 2.180 16.833 ( 0.252 -5.223 -1.062) 5.336 17.072 ( -2.984 -0.556 5.955) 6.684 17.465 ( -0.395 -3.742 2.934) 4.771 18.983 ( 23.825 -7.088 0.497) 24.862 20.082 ( -30.978 3.265 3.847) 31.386 20.805 ( 1.719 -5.787 -1.167) 6.148 21.031 ( -1.624 7.442 -5.795) 9.571 21.317 ( 1.121 -2.114 2.814) 3.694 21.476 ( 0.972 -1.277 -7.467) 7.638 21.797 ( 0.706 4.115 -8.802) 9.742 22.196 ( 5.963 1.216 -11.701) 13.189 22.928 ( 1.823 5.477 11.882) 13.210 23.364 ( -2.417 -4.029 12.026) 12.912 23.545 ( 3.222 2.557 1.265) 4.304 23.964 ( -6.294 -5.299 -3.697) 9.020 25.415 ( -1.654 -0.298 12.120) 12.236 25.692 ( -2.544 -1.385 4.788) 5.596 26.032 ( -3.926 -2.330 -11.924) 12.768 26.591 ( 6.917 -2.616 -8.483) 11.254 26.602 ( 2.178 -2.453 -6.607) 7.376 27.091 ( -2.455 0.929 2.653) 3.732 27.230 ( 1.491 4.431 -1.455) 4.896 27.651 ( 2.301 -0.744 -7.171) 7.567 27.956 ( 6.958 -1.005 -5.471) 8.908 28.666 ( -4.842 11.952 -5.770) 14.127 28.828 ( 1.077 6.839 -1.936) 7.189 28.887 ( -5.817 -3.975 -5.208) 8.761 29.505 ( 5.777 -4.215 0.271) 7.157 30.231 ( 1.241 -2.614 -0.235) 2.903 30.324 ( 3.349 -0.631 -0.172) 3.412 30.768 ( 2.495 -0.286 -3.798) 4.553 31.349 ( 4.980 -0.237 9.951) 11.130 31.582 ( -5.767 1.623 -8.676) 10.544 32.362 ( -1.140 1.804 1.393) 2.548 32.817 ( -3.279 -0.582 7.301) 8.024 46.279 ( -3.948 -1.227 8.627) 9.566 46.395 ( -0.120 1.693 6.956) 7.160 47.858 ( 0.448 -0.821 -0.622) 1.124 48.062 ( 1.263 0.438 -5.139) 5.310 48.143 ( 0.755 0.210 -4.188) 4.260 48.548 ( 0.182 1.324 -4.180) 4.388 48.834 ( 0.503 0.810 -1.236) 1.561 49.461 ( 0.736 -1.127 0.097) 1.350 87.960 ( -0.277 -0.189 -2.387) 2.411 87.993 ( 0.990 -1.273 -0.380) 1.657 89.167 ( 1.659 0.726 7.524) 7.739 89.181 ( -3.119 2.412 2.912) 4.902 89.472 ( 1.064 3.429 -2.236) 4.229 90.036 ( -0.608 -15.326 -9.975) 18.296 91.557 ( -4.379 1.025 4.809) 6.584 92.727 ( 2.823 8.981 4.680) 10.513 97.464 ( 1.172 -2.058 0.791) 2.497 97.863 ( -3.714 5.059 1.000) 6.355 98.013 ( -0.553 0.424 2.244) 2.349 98.325 ( 1.781 2.892 4.513) 5.648 99.485 ( 1.134 -6.330 -1.461) 6.594 99.567 ( -1.013 -6.090 -1.790) 6.428 99.640 ( 1.965 0.526 1.915) 2.794 99.809 ( -1.300 -1.006 -7.491) 7.669 ======================= Grid point 181 (95/118) ======================= q-point: (-0.33 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -10.475 0.000 21.021) 23.486 3.054 ( -27.336 0.000 15.479) 31.414 3.215 ( -3.395 0.000 26.520) 26.737 4.260 ( -5.484 0.000 24.581) 25.186 4.333 ( -11.706 0.000 -5.149) 12.789 4.497 ( 14.229 -0.000 0.516) 14.239 4.532 ( -2.155 0.000 3.260) 3.908 5.072 ( 2.722 -0.000 -2.734) 3.858 5.154 ( 0.569 -0.000 -1.275) 1.396 5.369 ( -4.699 0.000 -2.731) 5.435 5.510 ( -5.673 0.000 18.729) 19.570 5.673 ( 0.896 -0.000 -8.863) 8.909 5.696 ( 5.045 -0.000 -7.852) 9.333 6.015 ( 10.265 -0.000 -14.680) 17.913 6.148 ( -9.339 0.000 8.682) 12.751 6.297 ( -3.742 0.000 0.882) 3.845 6.312 ( 9.609 -0.000 -0.332) 9.615 6.517 ( -0.062 0.000 -3.636) 3.637 6.647 ( 6.776 -0.000 4.941) 8.387 6.679 ( -2.868 0.000 -8.391) 8.868 6.803 ( -5.359 0.000 -7.659) 9.347 7.023 ( 2.767 -0.000 1.747) 3.273 7.061 ( 13.083 -0.000 7.590) 15.125 7.133 ( -1.900 0.000 -4.952) 5.304 7.404 ( 12.287 -0.000 -3.272) 12.715 7.465 ( 5.095 -0.000 -5.640) 7.600 7.660 ( -0.823 0.000 7.030) 7.078 7.944 ( -9.401 0.000 -4.068) 10.244 8.278 ( 0.076 -0.000 5.524) 5.525 8.326 ( 5.269 -0.000 -2.291) 5.745 8.723 ( -3.571 0.000 5.847) 6.851 8.830 ( -1.141 0.000 -0.847) 1.421 8.949 ( 8.959 -0.000 -3.574) 9.645 9.414 ( -14.507 0.000 -15.184) 21.000 9.611 ( 1.540 -0.000 -3.708) 4.015 9.936 ( 8.877 -0.000 17.799) 19.890 9.999 ( -5.911 0.000 3.031) 6.643 10.318 ( 5.366 -0.000 -9.919) 11.277 10.678 ( -9.844 0.000 -10.559) 14.435 11.654 ( 0.322 -0.000 -0.018) 0.323 12.346 ( -2.656 0.000 -7.524) 7.979 12.354 ( -1.148 0.000 -6.943) 7.037 12.503 ( 3.829 -0.000 -2.052) 4.344 12.779 ( -0.309 0.000 2.355) 2.375 12.976 ( 10.530 -0.000 -1.045) 10.582 13.523 ( -3.418 0.000 -4.977) 6.038 13.607 ( -4.833 0.000 -0.524) 4.861 13.984 ( 4.514 -0.000 -3.300) 5.592 13.984 ( 5.398 -0.000 4.308) 6.906 15.738 ( 1.345 -0.000 5.520) 5.682 16.468 ( -2.745 0.000 4.295) 5.098 16.721 ( 0.362 -0.000 -1.890) 1.924 16.742 ( -2.795 0.000 -2.136) 3.517 17.064 ( -3.263 0.000 7.622) 8.291 17.412 ( -0.020 0.000 4.883) 4.883 18.884 ( 23.605 -0.000 0.824) 23.619 20.128 ( -31.235 0.000 3.644) 31.447 20.723 ( 1.342 -0.000 -1.564) 2.060 21.197 ( 1.761 -0.000 1.159) 2.108 21.240 ( -2.029 0.000 -3.050) 3.663 21.453 ( -0.272 0.000 -8.876) 8.880 21.852 ( 1.418 -0.000 -8.835) 8.948 22.212 ( 7.044 -0.000 -12.106) 14.006 23.007 ( 0.118 -0.000 11.042) 11.043 23.293 ( -5.287 0.000 16.299) 17.135 23.595 ( 4.858 -0.000 -1.687) 5.143 23.882 ( -8.329 0.000 -2.530) 8.704 25.402 ( 1.666 -0.000 16.233) 16.319 25.685 ( -8.422 0.000 0.648) 8.446 25.995 ( -3.274 0.000 -15.014) 15.367 26.537 ( 10.223 -0.000 -4.639) 11.227 26.572 ( 0.877 -0.000 -6.493) 6.552 27.107 ( -2.727 0.000 5.949) 6.544 27.319 ( -0.496 0.000 -4.420) 4.448 27.629 ( 3.199 -0.000 -8.176) 8.780 27.941 ( 7.385 -0.000 -5.080) 8.964 28.779 ( -3.451 0.000 1.307) 3.690 28.843 ( -10.169 0.000 -6.543) 12.092 28.995 ( -1.811 0.000 -5.322) 5.622 29.419 ( 9.019 -0.000 -2.007) 9.240 30.188 ( 1.090 -0.000 -1.392) 1.768 30.314 ( 6.400 -0.000 1.218) 6.515 30.763 ( 1.775 -0.000 -4.885) 5.198 31.342 ( 4.783 -0.000 11.646) 12.590 31.607 ( -5.317 0.000 -9.880) 11.220 32.388 ( -1.452 0.000 1.597) 2.159 32.810 ( -3.083 0.000 7.635) 8.234 46.261 ( -3.989 0.000 8.576) 9.458 46.419 ( 0.186 -0.000 6.694) 6.696 47.847 ( 0.630 -0.000 -0.351) 0.722 48.069 ( 1.501 -0.000 -5.454) 5.657 48.144 ( -0.031 0.000 -4.331) 4.331 48.567 ( 0.613 -0.000 -4.385) 4.427 48.846 ( 0.446 -0.000 -1.191) 1.272 49.444 ( 0.716 -0.000 0.245) 0.757 87.947 ( 0.467 -0.000 -0.885) 1.001 87.985 ( -0.326 0.000 -1.538) 1.572 89.176 ( 1.928 -0.000 7.409) 7.655 89.214 ( -3.249 0.000 4.189) 5.302 89.614 ( 0.488 -0.000 -0.740) 0.887 89.728 ( 0.269 -0.000 -9.205) 9.209 91.571 ( -5.206 0.000 4.706) 7.018 92.862 ( 5.526 -0.000 1.208) 5.657 97.435 ( 1.410 -0.000 0.751) 1.597 97.966 ( -2.175 0.000 3.634) 4.235 97.985 ( -4.378 0.000 -0.224) 4.384 98.390 ( 3.576 -0.000 4.095) 5.437 99.323 ( 2.467 -0.000 -1.677) 2.983 99.445 ( -0.313 0.000 -1.503) 1.535 99.680 ( 0.122 -0.000 3.698) 3.700 99.842 ( -2.035 0.000 -7.328) 7.605 ======================= Grid point 182 (96/118) ======================= q-point: (-0.17 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -17.175 -3.415 30.198) 34.907 2.930 ( -11.373 -1.552 26.755) 29.113 3.367 ( 1.900 -5.750 22.224) 23.034 4.140 ( -5.099 0.645 -1.361) 5.317 4.290 ( -2.955 -3.272 10.231) 11.141 4.496 ( 3.303 8.316 10.797) 14.023 4.839 ( 10.826 -10.446 4.480) 15.697 5.033 ( 2.417 8.159 -4.837) 9.788 5.172 ( -0.987 -0.146 1.953) 2.193 5.253 ( -3.279 3.239 -3.655) 5.883 5.537 ( -3.219 -2.254 18.942) 19.345 5.634 ( -0.555 1.094 -8.117) 8.209 5.716 ( 0.535 -0.765 -6.802) 6.865 5.991 ( -7.198 3.167 2.655) 8.300 6.113 ( 1.178 -4.591 -8.083) 9.370 6.244 ( -2.083 0.247 -6.260) 6.602 6.282 ( -6.044 8.979 -16.061) 19.368 6.449 ( 4.555 -1.706 -9.330) 10.522 6.654 ( -2.143 -2.300 -5.314) 6.174 6.735 ( 0.877 1.470 5.227) 5.501 6.783 ( 5.311 -5.934 9.491) 12.390 6.954 ( -7.629 2.401 3.671) 8.800 7.152 ( 5.393 1.849 -4.656) 7.361 7.296 ( 6.195 2.368 -1.418) 6.782 7.429 ( -4.458 1.887 0.027) 4.841 7.628 ( 9.114 -4.870 8.988) 13.695 7.797 ( -3.184 -2.822 -5.273) 6.775 7.868 ( 17.361 0.091 1.469) 17.423 8.236 ( -5.326 -0.199 -1.416) 5.514 8.398 ( 3.935 -0.634 -4.735) 6.189 8.682 ( -6.241 0.143 9.637) 11.482 8.859 ( 2.789 -1.193 1.060) 3.213 9.042 ( 4.023 1.055 -6.121) 7.400 9.132 ( -6.504 2.711 -14.864) 16.449 9.592 ( 0.230 1.798 -4.874) 5.200 9.912 ( -5.454 0.020 0.912) 5.530 10.115 ( 2.247 -0.506 14.017) 14.205 10.293 ( -2.286 0.003 -13.725) 13.914 10.517 ( 0.165 1.139 -4.909) 5.042 11.706 ( 3.280 -2.027 2.077) 4.379 12.257 ( -3.182 0.712 -6.812) 7.552 12.284 ( -2.923 -0.270 -5.844) 6.539 12.537 ( 1.508 -1.289 -4.035) 4.497 12.773 ( 0.212 1.422 -0.924) 1.709 13.196 ( 12.251 1.705 3.179) 12.771 13.446 ( -1.407 0.002 -2.350) 2.739 13.548 ( -2.634 -1.929 -2.144) 3.905 14.010 ( 1.721 1.970 -4.778) 5.447 14.054 ( 3.209 2.728 1.369) 4.429 15.798 ( 2.804 0.678 5.802) 6.480 16.434 ( -2.301 1.246 5.191) 5.813 16.674 ( -3.458 -0.577 -2.134) 4.104 16.768 ( 1.490 -4.293 -0.991) 4.651 17.068 ( -1.299 -0.404 9.566) 9.662 17.423 ( -1.771 -1.623 1.310) 2.737 19.357 ( 28.060 -3.237 2.182) 28.331 19.607 ( -30.740 1.326 4.618) 31.114 20.761 ( 1.514 -3.545 -1.777) 4.245 21.092 ( -1.599 8.463 -3.627) 9.345 21.294 ( 0.313 -5.724 0.860) 5.796 21.420 ( -0.153 -0.614 -7.300) 7.327 21.789 ( -1.641 2.310 -8.446) 8.909 22.247 ( 4.946 0.829 -12.815) 13.761 23.096 ( 3.237 2.700 17.707) 18.202 23.285 ( -6.685 -5.110 10.124) 13.164 23.663 ( 2.982 2.914 0.224) 4.175 23.747 ( -6.070 -4.344 -2.678) 7.930 25.455 ( -3.267 3.729 11.936) 12.925 25.611 ( -4.419 -6.120 8.040) 11.029 25.907 ( 0.067 -1.148 -13.542) 13.591 26.573 ( 1.641 -1.259 -5.936) 6.286 26.669 ( 8.091 -0.549 -8.111) 11.470 27.089 ( -1.507 1.271 4.737) 5.131 27.270 ( -1.090 2.030 -1.970) 3.032 27.642 ( 2.279 -0.578 -8.684) 8.996 28.055 ( 8.081 -0.521 -4.123) 9.087 28.603 ( -9.986 3.419 -7.411) 12.897 28.689 ( -7.750 -2.777 -6.784) 10.667 28.942 ( 1.338 6.190 1.560) 6.522 29.532 ( 3.931 -3.202 -4.900) 7.051 30.209 ( 0.909 -1.098 -1.017) 1.751 30.449 ( 8.198 1.577 2.397) 8.685 30.792 ( 3.019 -1.063 -3.007) 4.391 31.425 ( -8.935 0.283 -3.654) 9.657 31.496 ( 6.255 0.492 3.484) 7.177 32.371 ( -0.090 0.779 -0.540) 0.952 32.801 ( -2.330 -0.037 8.377) 8.695 46.244 ( -3.557 -0.740 9.174) 9.867 46.439 ( -0.480 1.111 5.641) 5.769 47.861 ( 0.971 -0.240 -0.383) 1.071 48.063 ( 1.000 0.491 -5.130) 5.250 48.130 ( 0.342 -0.660 -3.935) 4.004 48.537 ( -0.609 0.946 -4.664) 4.798 48.843 ( 0.321 0.353 -1.580) 1.651 49.467 ( 1.092 -0.536 0.465) 1.302 87.946 ( 0.109 -0.107 -2.005) 2.011 87.989 ( 0.580 -1.007 -0.145) 1.171 89.167 ( -3.341 1.517 3.440) 5.029 89.268 ( 4.354 1.095 6.864) 8.202 89.564 ( 3.693 5.283 -0.002) 6.446 89.789 ( -1.997 -11.426 -7.431) 13.776 91.519 ( -3.463 -0.226 5.383) 6.405 92.880 ( 1.450 6.461 -1.216) 6.732 97.476 ( 2.016 -0.929 1.169) 2.509 97.864 ( -4.104 4.309 0.155) 5.953 97.974 ( -2.615 -2.788 2.282) 4.452 98.428 ( 1.905 3.712 2.600) 4.916 99.396 ( 1.012 -6.765 -1.717) 7.052 99.473 ( 0.212 -5.134 -2.221) 5.598 99.712 ( 2.747 1.940 4.977) 6.007 99.783 ( 0.203 1.703 -4.207) 4.543 ======================= Grid point 188 (97/118) ======================= q-point: (-0.17 -0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.471 -0.000 39.650) 39.652 2.916 ( -6.296 0.000 32.704) 33.305 3.437 ( 0.027 -0.000 15.436) 15.436 4.100 ( 1.814 -0.000 0.125) 1.818 4.295 ( 1.215 -0.000 10.080) 10.153 4.740 ( 6.785 -0.000 17.883) 19.127 4.930 ( 7.459 -0.000 1.313) 7.574 5.137 ( 1.540 -0.000 -2.729) 3.134 5.151 ( 1.256 -0.000 -0.401) 1.319 5.228 ( 1.519 -0.000 -7.725) 7.873 5.554 ( -6.525 0.000 22.785) 23.701 5.577 ( -1.548 0.000 -11.317) 11.422 5.654 ( -1.937 0.000 -5.356) 5.696 5.931 ( -9.382 0.000 7.086) 11.757 5.992 ( -4.398 0.000 -1.960) 4.815 6.055 ( -6.710 0.000 -19.002) 20.152 6.204 ( -7.731 0.000 -10.479) 13.022 6.427 ( 9.155 -0.000 -11.006) 14.316 6.661 ( -4.608 0.000 11.394) 12.291 6.816 ( 3.629 -0.000 -7.968) 8.755 6.845 ( -7.159 0.000 4.884) 8.666 6.880 ( 5.379 -0.000 7.782) 9.460 7.256 ( 4.014 -0.000 -2.724) 4.851 7.301 ( -1.298 0.000 -5.469) 5.621 7.376 ( -4.418 0.000 3.310) 5.521 7.646 ( -2.770 0.000 -7.961) 8.429 7.805 ( 9.555 -0.000 4.448) 10.540 8.083 ( -6.157 0.000 -9.136) 11.017 8.188 ( 10.883 -0.000 5.908) 12.384 8.430 ( 3.513 -0.000 -5.889) 6.857 8.569 ( -6.399 0.000 1.387) 6.547 8.896 ( -0.783 0.000 -8.966) 9.000 9.010 ( -4.362 0.000 -2.491) 5.023 9.075 ( 1.538 -0.000 -1.720) 2.307 9.572 ( -0.929 0.000 -5.835) 5.909 9.837 ( -2.154 0.000 -3.833) 4.397 10.160 ( -4.135 0.000 10.687) 11.459 10.246 ( 6.391 -0.000 -1.977) 6.690 10.600 ( 8.180 -0.000 -5.127) 9.654 11.769 ( 3.425 -0.000 3.428) 4.846 12.195 ( -1.810 0.000 -4.393) 4.751 12.225 ( -0.046 0.000 -3.670) 3.670 12.516 ( -0.354 0.000 -4.543) 4.556 12.766 ( -0.663 0.000 -3.966) 4.021 13.326 ( 0.873 -0.000 -7.152) 7.205 13.402 ( -0.671 0.000 -1.988) 2.098 13.614 ( 9.222 -0.000 7.653) 11.984 13.997 ( -1.285 0.000 -8.047) 8.149 14.095 ( -1.019 0.000 -3.068) 3.233 15.850 ( -0.151 0.000 2.547) 2.551 16.428 ( -2.111 0.000 4.888) 5.325 16.628 ( -0.036 0.000 0.612) 0.613 16.784 ( 3.108 -0.000 1.237) 3.346 17.103 ( 0.164 -0.000 10.375) 10.376 17.388 ( -1.245 0.000 1.756) 2.153 19.150 ( -26.254 0.000 5.564) 26.838 19.851 ( 29.886 -0.000 4.679) 30.250 20.760 ( 2.033 -0.000 -0.910) 2.227 21.120 ( -2.466 0.000 -0.627) 2.544 21.229 ( 0.559 -0.000 -4.976) 5.007 21.398 ( -0.008 0.000 -3.436) 3.436 21.732 ( -2.347 0.000 -7.251) 7.622 22.257 ( 3.104 -0.000 -14.176) 14.512 23.093 ( -14.413 0.000 2.307) 14.596 23.256 ( 3.167 -0.000 17.233) 17.522 23.541 ( -8.067 0.000 3.133) 8.654 23.848 ( 9.229 -0.000 1.821) 9.407 25.486 ( -3.433 0.000 5.585) 6.555 25.521 ( -4.847 0.000 16.113) 16.826 25.888 ( 5.051 -0.000 -10.695) 11.828 26.574 ( 2.537 -0.000 -5.417) 5.982 26.746 ( 6.347 -0.000 -10.682) 12.426 27.116 ( 0.615 -0.000 5.662) 5.696 27.231 ( -3.893 0.000 -1.106) 4.047 27.632 ( 1.875 -0.000 -9.252) 9.440 28.145 ( 4.441 -0.000 -5.356) 6.958 28.423 ( -6.986 0.000 -7.375) 10.158 28.517 ( -7.102 0.000 -6.459) 9.600 29.015 ( 1.486 -0.000 1.402) 2.043 29.526 ( 1.535 -0.000 -5.021) 5.250 30.233 ( 2.617 -0.000 0.601) 2.685 30.590 ( 4.841 -0.000 -1.377) 5.033 30.809 ( 1.616 -0.000 -2.272) 2.788 31.237 ( -9.664 0.000 -3.739) 10.362 31.625 ( 5.864 -0.000 2.431) 6.348 32.370 ( 0.122 -0.000 -2.224) 2.227 32.821 ( 0.003 -0.000 8.365) 8.365 46.230 ( -2.760 0.000 9.502) 9.895 46.454 ( -1.628 0.000 4.981) 5.241 47.878 ( 1.403 -0.000 -0.371) 1.451 48.058 ( 0.726 -0.000 -4.945) 4.998 48.109 ( 0.149 -0.000 -3.655) 3.658 48.516 ( -0.074 0.000 -3.901) 3.901 48.839 ( 0.057 -0.000 -2.014) 2.015 49.482 ( 0.701 -0.000 0.316) 0.769 87.944 ( 0.795 -0.000 -1.664) 1.844 87.989 ( 0.247 -0.000 -0.163) 0.296 89.137 ( -3.282 0.000 3.479) 4.783 89.346 ( 0.429 -0.000 -0.024) 0.430 89.601 ( -1.758 0.000 -9.284) 9.449 89.793 ( 12.774 -0.000 9.093) 15.680 91.495 ( -1.889 0.000 5.716) 6.020 92.896 ( -3.381 0.000 -4.479) 5.612 97.515 ( 2.525 -0.000 1.533) 2.954 97.817 ( -4.585 0.000 -1.582) 4.851 97.918 ( -2.708 0.000 3.078) 4.100 98.473 ( -0.553 0.000 0.631) 0.839 99.357 ( 0.082 -0.000 -0.706) 0.711 99.441 ( 1.364 -0.000 -2.223) 2.608 99.779 ( 1.283 -0.000 -0.765) 1.493 99.847 ( 6.704 -0.000 4.458) 8.051 ======================= Grid point 189 (98/118) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -4.532 0.000 5.937) 7.469 3.805 ( 0.982 -0.000 21.953) 21.975 4.038 ( 0.558 -0.000 27.035) 27.041 4.262 ( 0.709 -0.000 7.037) 7.073 4.492 ( 4.364 -0.000 -10.891) 11.733 4.634 ( -3.236 0.000 -20.691) 20.943 4.817 ( -8.958 0.000 -7.753) 11.847 4.939 ( -0.315 0.000 -2.399) 2.419 5.290 ( -2.013 0.000 -3.356) 3.914 5.341 ( 3.718 -0.000 0.375) 3.737 5.386 ( 7.248 -0.000 4.254) 8.405 5.463 ( -1.423 0.000 4.519) 4.738 5.559 ( 2.872 -0.000 -7.598) 8.122 5.873 ( -4.122 0.000 1.709) 4.462 5.984 ( 8.229 -0.000 5.045) 9.652 6.083 ( -3.287 0.000 8.143) 8.781 6.276 ( 0.137 -0.000 4.103) 4.105 6.364 ( -4.436 0.000 0.059) 4.437 6.388 ( 6.261 -0.000 -9.108) 11.052 6.634 ( -6.468 0.000 -4.321) 7.779 6.859 ( 2.130 -0.000 2.163) 3.036 6.992 ( -2.967 0.000 -2.240) 3.718 7.268 ( 0.607 -0.000 8.701) 8.722 7.283 ( -3.111 0.000 18.281) 18.544 7.464 ( -4.369 0.000 -7.311) 8.517 7.557 ( 0.019 -0.000 -4.577) 4.577 7.741 ( 8.272 -0.000 -1.776) 8.461 7.956 ( -7.263 0.000 -0.723) 7.299 7.998 ( -8.362 0.000 -2.957) 8.869 8.134 ( 11.650 -0.000 -8.977) 14.707 8.628 ( 8.904 -0.000 -0.682) 8.930 8.700 ( 1.464 -0.000 -0.742) 1.641 8.731 ( -6.333 0.000 -10.856) 12.568 9.506 ( -3.029 0.000 8.757) 9.266 9.673 ( 15.184 -0.000 9.690) 18.012 9.767 ( 2.848 -0.000 -6.485) 7.082 9.837 ( -16.555 0.000 -3.080) 16.839 10.376 ( -1.079 0.000 -2.772) 2.975 10.941 ( 3.665 -0.000 0.119) 3.667 11.942 ( -0.763 0.000 4.533) 4.596 12.289 ( 5.747 -0.000 2.444) 6.244 12.335 ( 3.144 -0.000 -1.469) 3.470 12.411 ( -2.783 0.000 1.948) 3.397 12.533 ( -0.576 0.000 -4.630) 4.666 12.843 ( -3.011 0.000 -11.051) 11.454 13.425 ( 0.268 -0.000 0.005) 0.268 13.687 ( -0.842 0.000 -3.381) 3.484 13.715 ( -2.559 0.000 -1.552) 2.993 14.092 ( 0.965 -0.000 2.946) 3.100 15.710 ( -2.236 0.000 0.031) 2.236 16.457 ( -1.197 0.000 1.741) 2.113 16.828 ( 1.011 -0.000 2.378) 2.584 16.951 ( 2.199 -0.000 0.217) 2.210 17.162 ( -1.141 0.000 0.416) 1.215 17.675 ( 2.089 -0.000 2.790) 3.485 18.760 ( 0.633 -0.000 0.584) 0.861 20.679 ( -0.406 0.000 9.522) 9.531 20.903 ( -8.021 0.000 -7.944) 11.289 21.128 ( 19.686 -0.000 2.249) 19.814 21.180 ( 0.645 -0.000 2.673) 2.750 21.228 ( -7.462 0.000 -5.283) 9.143 21.605 ( 0.121 -0.000 1.512) 1.516 21.874 ( -0.482 0.000 -10.232) 10.243 22.529 ( -3.962 0.000 -1.293) 4.168 23.530 ( -1.567 0.000 2.802) 3.211 23.658 ( -0.098 0.000 5.577) 5.578 24.127 ( 2.339 -0.000 -0.260) 2.354 25.612 ( -2.967 0.000 3.458) 4.556 25.728 ( 2.532 -0.000 4.574) 5.228 25.999 ( 3.761 -0.000 -0.053) 3.761 26.459 ( -2.276 0.000 -7.267) 7.615 26.547 ( 1.400 -0.000 -1.980) 2.425 27.126 ( -0.551 0.000 0.593) 0.809 27.334 ( 1.900 -0.000 2.451) 3.101 27.441 ( 0.775 -0.000 -4.917) 4.978 27.840 ( -1.604 0.000 -4.945) 5.198 28.218 ( -1.509 0.000 -1.427) 2.077 28.297 ( 1.205 -0.000 -3.482) 3.684 29.087 ( 1.483 -0.000 -0.430) 1.544 29.629 ( 1.865 -0.000 2.756) 3.328 30.285 ( -4.070 0.000 -3.350) 5.271 30.385 ( 1.490 -0.000 0.556) 1.591 30.752 ( -0.475 0.000 -1.012) 1.118 31.252 ( 1.649 -0.000 3.820) 4.161 31.614 ( -1.326 0.000 -3.021) 3.299 32.327 ( -0.395 0.000 -0.072) 0.402 32.955 ( -0.412 0.000 1.363) 1.424 46.392 ( -0.430 0.000 3.693) 3.718 46.508 ( -1.398 0.000 2.711) 3.050 47.910 ( -0.285 0.000 0.580) 0.646 47.962 ( 1.006 -0.000 -2.878) 3.048 48.037 ( 0.436 -0.000 -1.527) 1.589 48.470 ( 0.474 -0.000 -1.307) 1.391 48.787 ( -0.071 0.000 -0.774) 0.777 49.489 ( 0.025 -0.000 0.007) 0.025 87.956 ( 0.123 -0.000 -0.735) 0.746 87.971 ( 0.594 -0.000 -0.189) 0.624 89.142 ( -0.904 0.000 2.235) 2.411 89.230 ( -1.621 0.000 -0.036) 1.622 89.369 ( 0.073 -0.000 -3.483) 3.484 90.365 ( 5.160 -0.000 -1.188) 5.295 91.609 ( -0.325 0.000 2.259) 2.282 92.624 ( -3.466 0.000 0.549) 3.509 97.614 ( 0.202 -0.000 0.437) 0.482 97.681 ( -0.627 0.000 -0.313) 0.701 97.906 ( -0.404 0.000 1.075) 1.149 98.425 ( -1.044 0.000 0.503) 1.159 99.366 ( -0.642 0.000 1.599) 1.723 99.410 ( 0.788 -0.000 -2.381) 2.508 99.820 ( 0.916 -0.000 -0.395) 0.997 100.118 ( 2.254 -0.000 -0.302) 2.274 ======================= Grid point 190 (99/118) ======================= q-point: ( 0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( -11.445 -2.142 10.308) 15.551 3.834 ( -2.220 6.893 10.842) 13.039 4.057 ( -10.448 0.109 18.634) 21.363 4.308 ( -1.150 -1.420 13.945) 14.064 4.438 ( -0.892 2.906 -16.991) 17.261 4.499 ( 0.188 2.286 -16.480) 16.639 4.703 ( -7.045 -3.801 8.010) 11.324 4.941 ( 2.925 0.426 -0.913) 3.094 5.221 ( -2.387 1.350 -3.229) 4.236 5.334 ( -1.998 4.437 4.792) 6.830 5.438 ( 2.342 2.051 -4.635) 5.583 5.510 ( 2.201 -4.442 -5.978) 7.766 5.636 ( 3.680 -3.862 -7.747) 9.406 5.847 ( 0.011 1.514 5.658) 5.857 6.049 ( -2.759 -0.827 5.540) 6.244 6.082 ( -1.926 -2.728 -5.260) 6.231 6.333 ( 5.638 -0.742 1.222) 5.817 6.354 ( 3.597 0.039 -3.836) 5.259 6.454 ( 0.779 -3.376 -3.444) 4.885 6.577 ( 2.742 3.067 7.805) 8.822 6.896 ( 1.215 -2.052 -0.279) 2.401 7.059 ( 6.431 0.214 4.749) 7.997 7.226 ( 1.237 9.153 5.184) 10.592 7.315 ( 0.469 3.180 11.414) 11.858 7.408 ( -5.494 1.475 -9.100) 10.732 7.463 ( -0.989 -3.408 2.931) 4.603 7.679 ( -7.074 -1.546 -3.366) 7.985 7.974 ( 1.875 -1.104 1.759) 2.798 8.091 ( 12.297 -3.224 4.870) 13.614 8.309 ( 8.607 -1.280 -4.732) 9.905 8.573 ( -2.146 -1.655 -15.568) 15.802 8.659 ( -4.383 0.628 -2.977) 5.335 8.794 ( 8.075 -0.692 -0.083) 8.105 9.473 ( -10.576 2.971 -0.090) 10.986 9.547 ( -8.775 -2.742 3.377) 9.794 9.803 ( 3.551 -2.408 -7.435) 8.584 9.992 ( 14.417 -0.574 10.930) 18.101 10.301 ( -6.268 0.886 0.098) 6.331 10.848 ( -10.471 2.318 -5.676) 12.134 11.926 ( -1.511 2.357 3.515) 4.494 12.281 ( -4.457 0.276 -6.329) 7.746 12.327 ( -1.178 1.103 -4.564) 4.841 12.414 ( 2.167 -0.415 1.158) 2.492 12.551 ( 0.230 -4.216 -0.319) 4.235 12.870 ( 8.850 0.566 -0.597) 8.888 13.420 ( -1.428 -1.273 0.092) 1.916 13.694 ( 2.347 1.084 -0.337) 2.607 13.752 ( 4.732 -2.436 2.162) 5.745 14.048 ( -5.099 2.072 -0.170) 5.506 15.713 ( 0.921 -0.918 3.551) 3.781 16.454 ( -0.981 -0.807 2.822) 3.094 16.814 ( -2.858 0.293 -0.457) 2.909 16.960 ( 1.648 2.540 -3.185) 4.394 17.158 ( -0.149 -0.209 2.372) 2.386 17.640 ( -3.600 2.364 -1.521) 4.567 18.897 ( 17.172 3.547 -0.586) 17.545 20.518 ( -26.917 -1.699 5.788) 27.585 20.757 ( -3.100 -2.558 -2.670) 4.826 21.075 ( 0.220 7.199 -3.724) 8.108 21.253 ( 1.407 -4.649 -2.951) 5.683 21.396 ( 10.554 1.156 -2.035) 10.811 21.612 ( 0.036 -0.276 0.987) 1.026 21.859 ( 1.736 -2.608 -6.017) 6.784 22.639 ( 10.271 -5.888 5.625) 13.107 23.516 ( -1.094 0.847 3.791) 4.036 23.667 ( -1.016 0.361 3.439) 3.605 24.107 ( -1.979 2.244 -4.152) 5.118 25.584 ( -3.742 -0.975 5.781) 6.955 25.764 ( 2.578 2.225 -2.120) 4.012 26.067 ( 3.811 -1.165 -2.952) 4.959 26.386 ( -4.173 -1.294 -2.094) 4.844 26.554 ( 1.401 0.535 -3.239) 3.570 27.150 ( 1.946 -0.243 1.077) 2.238 27.253 ( 0.278 9.456 -1.722) 9.615 27.498 ( 0.352 -5.266 -3.395) 6.275 27.844 ( 3.925 0.391 -0.169) 3.948 28.245 ( 0.267 -5.143 1.044) 5.255 28.338 ( -0.350 -7.711 -3.675) 8.550 29.094 ( 2.577 3.715 -2.490) 5.162 29.617 ( -1.887 1.631 -1.208) 2.771 30.277 ( 2.065 -0.745 4.331) 4.855 30.364 ( -1.919 1.873 -2.079) 3.393 30.748 ( 0.961 0.920 -0.019) 1.331 31.299 ( 1.791 -1.231 -0.811) 2.320 31.580 ( -1.720 0.163 0.814) 1.910 32.323 ( -1.043 -1.117 0.485) 1.603 32.945 ( -1.384 0.210 1.683) 2.189 46.408 ( -0.063 -0.783 2.746) 2.857 46.492 ( -1.773 0.717 3.731) 4.192 47.898 ( -0.874 0.524 0.682) 1.226 47.966 ( 1.239 0.237 -3.176) 3.417 48.049 ( 1.005 -0.833 -1.527) 2.009 48.467 ( -0.345 -0.424 -1.477) 1.575 48.788 ( 0.228 -0.345 -0.301) 0.512 49.489 ( 0.354 0.467 -0.056) 0.589 87.937 ( -1.145 -0.093 -0.837) 1.421 87.998 ( 2.068 0.267 -0.755) 2.218 89.161 ( 0.410 -1.019 2.477) 2.710 89.218 ( -0.411 -0.478 3.143) 3.205 89.364 ( 0.508 -0.457 -2.240) 2.342 90.338 ( -1.264 5.576 -8.450) 10.202 91.607 ( -1.655 -0.940 1.910) 2.696 92.610 ( -0.971 -1.439 5.359) 5.633 97.576 ( -0.848 2.890 0.216) 3.020 97.718 ( 0.057 -3.809 0.481) 3.839 97.933 ( 1.820 -1.495 1.237) 2.660 98.406 ( -0.600 1.616 1.941) 2.596 99.382 ( -1.282 -3.615 1.431) 4.094 99.434 ( 0.506 -3.645 -2.037) 4.206 99.803 ( 0.143 3.385 -1.604) 3.749 100.083 ( 0.124 6.800 -3.610) 7.699 ======================= Grid point 191 (100/118) ======================= q-point: (-0.67 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( -10.723 -1.436 14.516) 18.104 3.685 ( -8.963 7.545 13.894) 18.174 3.946 ( -6.519 2.882 9.453) 11.839 4.245 ( -4.194 2.321 -13.652) 14.469 4.368 ( -3.544 -3.898 -13.444) 14.439 4.498 ( 4.847 1.697 16.435) 17.219 4.679 ( -3.764 -0.926 6.702) 7.742 5.019 ( 3.885 -2.018 0.147) 4.380 5.136 ( -1.740 3.880 -4.074) 5.889 5.257 ( -5.073 0.952 6.646) 8.415 5.447 ( 0.941 -2.590 -3.822) 4.712 5.553 ( 4.150 -1.860 -10.211) 11.178 5.662 ( 0.676 1.453 -4.521) 4.797 5.830 ( 0.350 -0.922 -5.187) 5.279 6.035 ( -5.507 -3.113 -2.547) 6.820 6.109 ( 3.155 1.371 9.595) 10.193 6.324 ( -0.408 -0.803 -7.906) 7.957 6.426 ( 2.147 0.688 -4.272) 4.830 6.527 ( 1.346 -6.711 2.965) 7.460 6.653 ( 4.027 3.068 5.728) 7.645 6.952 ( -1.841 -2.918 3.062) 4.613 7.084 ( 0.808 5.126 1.821) 5.500 7.166 ( -2.055 0.032 -0.084) 2.057 7.254 ( 3.577 8.588 0.769) 9.335 7.383 ( -1.067 1.158 -6.138) 6.336 7.569 ( 10.356 -3.664 7.405) 13.248 7.743 ( 6.691 -3.595 8.986) 11.766 8.014 ( 1.366 2.491 3.886) 4.814 8.293 ( 1.726 0.595 2.822) 3.362 8.356 ( -0.320 -1.668 -0.760) 1.860 8.549 ( 1.812 -1.739 -8.185) 8.561 8.630 ( 6.994 -4.143 -13.100) 15.417 8.915 ( 4.954 -0.747 0.919) 5.093 9.153 ( -17.479 2.261 -4.087) 18.093 9.562 ( -0.273 -1.050 6.072) 6.168 9.881 ( 4.541 -4.211 -7.692) 9.875 10.143 ( -9.435 3.077 -0.598) 9.942 10.255 ( 9.483 -0.473 9.202) 13.223 10.567 ( -13.438 1.312 -6.392) 14.938 11.877 ( -0.907 3.573 2.682) 4.559 12.178 ( -3.366 0.198 -6.690) 7.491 12.260 ( -2.842 -0.224 -3.605) 4.596 12.453 ( 2.515 -0.306 -3.389) 4.231 12.629 ( 0.760 -4.844 2.189) 5.369 13.040 ( 10.034 0.187 4.369) 10.946 13.422 ( -0.804 -1.670 0.108) 1.857 13.706 ( 1.257 4.187 0.336) 4.385 13.891 ( 4.502 -2.226 2.801) 5.750 13.909 ( -5.796 -0.106 -2.983) 6.520 15.788 ( 3.259 -1.395 5.226) 6.316 16.474 ( -0.529 -1.703 4.520) 4.859 16.733 ( -4.681 0.461 -2.833) 5.491 16.914 ( 0.866 4.458 -5.375) 7.036 17.185 ( 0.728 -0.402 4.954) 5.024 17.528 ( -3.695 2.515 -3.910) 5.938 19.186 ( 25.263 6.896 -0.417) 26.191 20.053 ( -33.167 -4.460 1.521) 33.500 20.768 ( -1.709 -5.552 -0.067) 5.809 20.975 ( 1.337 8.592 -2.772) 9.127 21.311 ( 1.532 -2.246 -4.248) 5.044 21.451 ( 1.874 2.065 -1.149) 3.016 21.629 ( 0.248 -1.113 0.219) 1.161 21.926 ( 3.259 -3.708 -4.913) 6.964 22.997 ( 15.535 -7.434 10.755) 20.304 23.512 ( -0.253 0.801 4.176) 4.260 23.650 ( -1.653 0.547 2.061) 2.699 23.960 ( -6.933 4.761 -8.456) 11.926 25.563 ( -4.429 -1.542 7.165) 8.563 25.746 ( 2.620 2.861 -7.766) 8.682 26.101 ( -0.252 1.715 3.221) 3.658 26.354 ( -0.315 -2.912 -5.168) 5.940 26.550 ( 1.141 0.921 -3.509) 3.803 27.109 ( -0.705 5.396 -1.563) 5.662 27.235 ( 2.952 -0.091 2.175) 3.668 27.523 ( -0.487 -2.021 -4.248) 4.730 27.944 ( 7.364 0.589 2.676) 7.858 28.332 ( -0.782 -7.098 -0.716) 7.177 28.434 ( -0.989 -10.064 -2.076) 10.324 29.035 ( 0.750 7.372 -3.492) 8.192 29.564 ( -1.127 0.233 -1.781) 2.120 30.279 ( -2.793 2.301 -2.621) 4.468 30.372 ( 4.228 -0.488 6.069) 7.413 30.756 ( 1.627 1.154 -0.258) 2.011 31.315 ( -0.651 -1.622 -5.928) 6.180 31.576 ( 0.050 0.195 5.307) 5.311 32.326 ( -0.771 -1.368 0.310) 1.601 32.926 ( -1.566 0.184 2.341) 2.822 46.431 ( -0.250 -0.791 2.408) 2.547 46.470 ( -1.579 0.665 4.017) 4.367 47.881 ( -0.729 0.392 1.096) 1.373 47.966 ( 1.056 0.328 -3.701) 3.863 48.072 ( 1.178 -0.697 -1.522) 2.047 48.457 ( -0.793 -0.634 -1.557) 1.859 48.799 ( 0.420 -0.579 -0.061) 0.718 49.488 ( 0.438 0.665 -0.113) 0.804 87.919 ( -0.698 -0.140 -0.930) 1.172 88.018 ( 1.471 0.626 -0.787) 1.782 89.166 ( -0.912 0.116 1.155) 1.476 89.297 ( 2.858 -2.883 8.438) 9.363 89.378 ( 1.576 -1.167 -2.277) 3.005 90.131 ( -5.730 8.539 -11.663) 15.549 91.604 ( -1.156 -0.948 2.062) 2.547 92.662 ( 0.113 -2.969 5.703) 6.431 97.536 ( -0.430 1.732 0.332) 1.815 97.760 ( -0.278 -2.492 0.600) 2.578 98.004 ( 2.192 -2.475 1.111) 3.488 98.387 ( -0.227 1.666 2.609) 3.104 99.428 ( -1.225 -5.821 1.352) 6.100 99.499 ( 0.421 -6.094 -1.097) 6.206 99.726 ( -0.846 6.074 -1.940) 6.432 99.940 ( -0.276 10.540 -5.276) 11.790 ======================= Grid point 192 (101/118) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -5.123 -1.187 17.875) 18.633 3.556 ( -6.374 4.376 24.374) 25.571 3.858 ( -0.620 6.814 1.906) 7.103 4.101 ( -3.083 1.830 -4.005) 5.376 4.304 ( 0.136 -2.595 -12.961) 13.218 4.670 ( 4.701 -1.830 17.616) 18.324 4.700 ( -0.514 -6.469 0.004) 6.489 5.031 ( -2.804 0.076 -6.173) 6.781 5.094 ( 4.110 1.967 -4.529) 6.424 5.223 ( -2.223 0.346 8.759) 9.043 5.483 ( -1.814 -3.531 -0.489) 4.000 5.573 ( 3.789 2.787 -14.416) 15.164 5.655 ( 4.679 -0.151 -4.514) 6.503 5.851 ( 1.567 -1.606 -2.711) 3.519 5.938 ( -6.470 -0.119 -1.826) 6.723 6.141 ( -0.719 1.287 4.754) 4.977 6.322 ( -1.514 -0.996 0.647) 1.924 6.404 ( 1.752 3.007 -4.094) 5.373 6.628 ( -0.567 -2.122 1.457) 2.636 6.661 ( 0.225 -1.388 0.561) 1.514 6.931 ( -6.366 -4.345 6.146) 9.858 7.059 ( 2.942 2.365 -4.471) 5.851 7.172 ( -1.407 -0.734 3.201) 3.573 7.240 ( 5.507 5.719 2.136) 8.222 7.311 ( -4.982 -2.785 -2.314) 6.159 7.853 ( -1.394 2.694 4.339) 5.294 7.872 ( 14.141 -1.275 4.027) 14.759 8.026 ( 3.685 3.608 2.174) 5.596 8.188 ( -6.837 1.640 -3.017) 7.651 8.340 ( 1.132 -1.068 -0.936) 1.816 8.652 ( 1.699 -2.519 -11.514) 11.908 8.790 ( 9.235 -4.364 -2.485) 10.512 8.825 ( -13.437 2.610 0.348) 13.693 8.987 ( 1.693 -0.971 -0.615) 2.047 9.600 ( 0.463 -0.010 5.292) 5.313 9.915 ( -7.856 3.925 -5.091) 10.150 9.980 ( 4.060 -4.316 -4.314) 7.329 10.382 ( 1.622 0.152 4.883) 5.147 10.421 ( -0.783 -0.164 -1.263) 1.495 11.848 ( 0.902 2.345 2.764) 3.735 12.109 ( -1.420 -0.291 -4.761) 4.977 12.219 ( -1.439 -0.489 -1.002) 1.820 12.472 ( 1.550 -0.023 -4.339) 4.608 12.689 ( -0.146 -1.929 0.601) 2.025 13.213 ( 5.780 -1.164 3.825) 7.028 13.413 ( -1.761 0.284 -2.940) 3.439 13.630 ( -0.170 2.694 1.577) 3.126 13.853 ( -1.177 -1.790 -3.380) 4.001 13.985 ( 1.127 -1.629 0.504) 2.044 15.871 ( 1.668 -0.584 2.887) 3.385 16.516 ( -0.203 -1.507 5.453) 5.661 16.651 ( -2.330 0.310 -1.958) 3.060 16.843 ( 0.501 3.758 -3.980) 5.497 17.232 ( 0.804 -0.373 5.828) 5.895 17.434 ( -2.111 1.263 -3.182) 4.022 19.486 ( -0.598 0.609 1.110) 1.400 19.653 ( -0.994 0.767 1.826) 2.216 20.835 ( -0.905 -7.617 0.368) 7.679 20.876 ( 1.485 7.931 -2.410) 8.421 21.312 ( -0.355 0.307 -3.945) 3.973 21.445 ( 0.704 1.775 1.168) 2.238 21.640 ( -0.860 -0.957 -0.118) 1.292 21.986 ( 2.344 -2.111 -6.955) 7.637 23.365 ( 9.783 -4.367 14.495) 18.025 23.503 ( -4.041 3.005 2.802) 5.763 23.636 ( -0.089 -0.557 -0.036) 0.565 23.710 ( -5.748 3.574 -9.850) 11.951 25.548 ( -4.166 -2.208 8.001) 9.287 25.721 ( 3.159 2.304 -9.094) 9.899 26.049 ( -3.089 5.881 11.048) 12.892 26.399 ( 3.573 -4.539 -10.738) 12.193 26.538 ( 0.722 1.001 -2.543) 2.827 27.059 ( -0.268 0.193 -0.432) 0.543 27.280 ( 0.828 0.312 1.613) 1.840 27.512 ( 0.092 -0.320 -3.981) 3.995 28.055 ( 4.085 0.322 0.760) 4.168 28.360 ( -2.293 -2.885 -3.703) 5.225 28.515 ( -0.719 -4.116 -1.569) 4.463 28.943 ( -0.283 3.435 -0.610) 3.500 29.551 ( 0.164 0.433 -1.334) 1.412 30.217 ( -0.780 0.631 -0.900) 1.347 30.458 ( 2.329 -1.040 2.222) 3.383 30.770 ( 1.514 0.364 -1.272) 2.011 31.271 ( -2.881 -0.475 -3.913) 4.883 31.615 ( 1.617 -0.068 3.543) 3.895 32.333 ( 0.177 -0.474 -0.483) 0.700 32.916 ( -0.842 -0.016 2.812) 2.936 46.425 ( -1.653 1.303 4.631) 5.087 46.477 ( -0.144 -1.427 1.663) 2.196 47.876 ( -0.263 -0.003 1.352) 1.378 47.961 ( 0.852 0.096 -3.781) 3.877 48.085 ( 0.737 0.181 -1.678) 1.841 48.447 ( -0.310 -0.595 -1.334) 1.493 48.811 ( 0.214 -0.318 -0.390) 0.547 49.486 ( 0.251 0.350 -0.083) 0.439 87.910 ( -0.043 -0.167 -0.779) 0.798 88.022 ( 0.451 0.844 -0.410) 1.041 89.158 ( -1.092 -0.719 1.334) 1.867 89.358 ( -0.587 0.198 3.452) 3.507 89.488 ( 5.675 -3.457 1.109) 6.736 89.887 ( -3.982 6.003 -7.110) 10.122 91.607 ( -0.344 0.259 2.061) 2.106 92.722 ( -0.497 -3.470 2.068) 4.070 97.522 ( 0.177 0.372 0.379) 0.560 97.778 ( -0.454 -0.946 0.259) 1.081 98.047 ( -0.172 0.006 0.856) 0.873 98.389 ( 0.046 -0.888 1.570) 1.804 99.493 ( 0.138 -3.200 1.067) 3.376 99.558 ( -0.490 0.288 -2.148) 2.222 99.638 ( -0.310 0.529 0.634) 0.882 99.806 ( 1.287 5.904 -3.113) 6.798 ======================= Grid point 193 (102/118) ======================= q-point: (-0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -0.188 -3.195 18.253) 18.532 3.604 ( 1.713 2.584 30.633) 30.790 3.764 ( 0.844 8.119 3.151) 8.750 4.099 ( 2.255 -1.703 2.817) 3.990 4.332 ( 4.987 -2.003 -7.970) 9.613 4.802 ( 2.290 -8.206 -6.320) 10.608 4.852 ( 2.889 -5.044 7.639) 9.600 4.951 ( -1.360 -0.321 -10.973) 11.061 5.113 ( 1.357 -0.520 -0.812) 1.665 5.245 ( 2.663 3.362 7.561) 8.693 5.439 ( -4.769 -0.113 -1.956) 5.156 5.529 ( 3.300 4.107 -10.105) 11.396 5.686 ( 3.181 3.056 -10.495) 11.384 5.811 ( -3.137 -0.047 0.552) 3.186 5.948 ( 2.022 -2.746 5.408) 6.393 6.133 ( -3.666 -2.462 6.487) 7.848 6.238 ( -5.413 4.191 2.615) 7.328 6.383 ( 2.304 4.139 -2.888) 5.548 6.607 ( -0.920 0.360 -4.592) 4.698 6.711 ( -3.334 -6.141 1.030) 7.063 6.942 ( -4.241 -5.890 9.431) 11.901 7.033 ( 0.436 2.592 -2.585) 3.686 7.200 ( 1.864 -0.041 0.353) 1.897 7.237 ( -8.184 -6.996 0.128) 10.767 7.322 ( 6.937 1.904 1.073) 7.273 7.710 ( -8.430 4.921 1.675) 9.903 7.880 ( -5.848 3.300 -10.896) 12.799 8.013 ( 3.769 5.061 2.240) 6.696 8.298 ( 7.209 -2.033 5.626) 9.368 8.374 ( 3.825 0.108 -0.004) 3.827 8.480 ( -12.915 0.654 -10.366) 16.574 8.596 ( -5.803 1.780 -6.834) 9.140 8.980 ( -2.427 -0.658 -4.156) 4.857 9.071 ( 13.340 -3.075 4.412) 14.383 9.594 ( -2.951 0.996 3.933) 5.017 9.784 ( -1.035 3.127 -0.735) 3.375 10.152 ( 9.981 -5.183 -0.892) 11.281 10.339 ( -7.055 2.026 0.965) 7.404 10.505 ( 10.240 -0.992 -0.442) 10.297 11.871 ( 1.396 -0.295 3.032) 3.351 12.106 ( 1.505 -1.119 -0.659) 1.988 12.215 ( 1.384 0.815 1.096) 1.944 12.463 ( -0.174 -0.053 -4.058) 4.062 12.674 ( -1.179 1.761 -2.244) 3.086 13.181 ( -6.243 1.439 -7.992) 10.243 13.396 ( 0.881 0.224 1.694) 1.922 13.727 ( 4.501 -5.029 1.552) 6.925 13.843 ( 1.480 0.743 -0.393) 1.702 13.969 ( -3.634 -0.584 -3.901) 5.364 15.861 ( -2.847 0.635 -1.587) 3.321 16.524 ( -1.272 1.515 1.300) 2.367 16.660 ( 3.060 -0.749 3.169) 4.468 16.831 ( 1.596 -0.349 1.500) 2.218 17.240 ( -2.025 0.534 1.081) 2.356 17.435 ( 2.939 -1.033 3.629) 4.783 19.162 ( -25.720 -5.667 2.274) 26.435 20.026 ( 31.417 5.402 3.718) 32.094 20.805 ( 2.768 5.588 -2.710) 6.799 20.934 ( -0.755 -8.455 0.992) 8.546 21.260 ( -2.468 2.359 -1.175) 3.611 21.436 ( -0.086 1.926 1.529) 2.461 21.623 ( -1.743 -0.290 -0.387) 1.809 21.989 ( 0.854 -0.292 -9.715) 9.757 23.184 ( -16.792 9.254 -7.293) 20.513 23.528 ( 0.208 -1.286 10.043) 10.127 23.591 ( -1.233 0.039 1.274) 1.773 23.838 ( 10.186 -4.142 2.394) 11.254 25.567 ( -2.207 -3.136 8.970) 9.755 25.702 ( 2.266 2.351 -6.836) 7.576 25.980 ( -1.763 5.929 11.621) 13.164 26.467 ( 4.024 -3.519 -11.201) 12.411 26.530 ( 0.825 0.603 -2.133) 2.365 27.091 ( 0.577 -4.529 0.699) 4.619 27.257 ( -2.550 1.266 0.180) 2.853 27.505 ( 1.328 1.001 -3.043) 3.468 28.038 ( -5.219 -1.438 -5.488) 7.709 28.331 ( 2.208 4.390 -1.954) 5.288 28.467 ( -1.453 5.767 -4.129) 7.240 28.967 ( 0.084 -5.092 3.221) 6.026 29.540 ( 0.835 1.435 -0.056) 1.661 30.237 ( 1.982 -1.575 1.358) 2.873 30.484 ( -1.696 -1.998 -3.977) 4.763 30.775 ( 0.063 -0.297 -2.295) 2.315 31.222 ( -1.661 0.869 2.204) 2.894 31.646 ( 1.129 -0.057 -0.996) 1.507 32.337 ( 0.830 0.657 -1.001) 1.457 32.925 ( 0.174 -0.240 2.618) 2.635 46.402 ( -1.464 1.364 4.932) 5.322 46.500 ( -0.319 -1.424 1.270) 1.935 47.884 ( 0.226 -0.343 1.284) 1.348 47.959 ( 0.723 -0.305 -3.477) 3.564 48.074 ( 0.041 1.060 -1.790) 2.081 48.451 ( 0.654 -0.331 -1.013) 1.251 48.808 ( -0.169 0.172 -0.933) 0.963 49.487 ( -0.037 -0.161 -0.015) 0.166 87.915 ( 0.721 -0.196 -0.574) 0.943 88.010 ( -0.521 0.754 0.042) 0.917 89.159 ( -1.446 -1.506 1.766) 2.734 89.341 ( -1.696 1.294 1.216) 2.456 89.486 ( -1.837 3.302 -9.600) 10.316 89.931 ( 8.482 -4.539 7.790) 12.379 91.604 ( 0.179 1.426 2.091) 2.537 92.741 ( -2.155 -2.533 -2.124) 3.946 97.535 ( 0.752 -0.987 0.407) 1.306 97.770 ( -0.724 0.709 -0.350) 1.072 98.006 ( -2.508 2.545 0.782) 3.658 98.416 ( -0.492 -2.795 -0.193) 2.844 99.454 ( 0.066 6.273 -1.284) 6.404 99.501 ( 0.272 5.374 -1.015) 5.476 99.701 ( 1.134 -5.045 0.582) 5.204 99.855 ( 3.233 -6.094 2.799) 7.444 ======================= Grid point 194 (103/118) ======================= q-point: (-0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( 3.131 -2.341 11.074) 11.744 3.701 ( -1.586 2.544 18.247) 18.492 3.832 ( 7.291 1.650 28.909) 29.860 4.193 ( 3.047 -1.965 3.771) 5.231 4.424 ( 6.616 -1.742 -7.479) 10.136 4.785 ( -2.674 0.028 -19.576) 19.757 4.923 ( -0.654 -6.133 -9.105) 10.998 4.959 ( -1.137 -1.254 -3.070) 3.506 5.191 ( 5.434 -3.129 2.737) 6.842 5.280 ( 4.322 3.939 4.950) 7.661 5.358 ( -4.483 -1.236 1.285) 4.825 5.493 ( 2.251 4.648 -2.705) 5.830 5.608 ( -0.475 3.557 -6.440) 7.372 5.814 ( 0.965 -0.583 6.478) 6.575 6.004 ( -3.140 0.318 2.163) 3.826 6.104 ( -2.964 2.618 9.059) 9.884 6.191 ( 0.801 -4.296 2.852) 5.218 6.359 ( 3.563 4.391 -2.976) 6.390 6.508 ( -7.124 -0.266 -7.161) 10.105 6.716 ( -5.044 -5.544 -1.176) 7.587 6.896 ( -3.040 5.062 0.759) 5.953 7.089 ( -4.221 -2.432 3.988) 6.295 7.175 ( -0.717 -4.783 4.837) 6.840 7.241 ( -2.394 -3.438 3.315) 5.342 7.439 ( 3.126 -5.841 -2.584) 7.112 7.605 ( 3.537 5.452 6.048) 8.877 7.682 ( -3.090 5.057 -12.731) 14.043 8.019 ( 3.454 2.589 0.088) 4.317 8.187 ( -11.544 2.827 -4.494) 12.707 8.240 ( -12.744 0.291 -5.670) 13.951 8.489 ( 7.677 -0.121 -4.078) 8.694 8.615 ( 8.324 0.101 0.328) 8.331 8.884 ( -5.991 -0.202 -7.862) 9.886 9.360 ( 14.211 -1.863 8.233) 16.529 9.543 ( -3.332 1.601 6.529) 7.502 9.758 ( 1.822 1.312 -3.375) 4.053 10.122 ( -13.969 1.372 -1.859) 14.159 10.346 ( 5.731 -1.859 -3.698) 7.069 10.750 ( 14.221 -1.813 3.387) 14.731 11.915 ( 0.327 -1.324 3.992) 4.218 12.175 ( 4.413 -0.883 2.826) 5.315 12.263 ( 4.459 0.531 1.773) 4.828 12.437 ( -1.352 -0.478 -2.050) 2.502 12.601 ( -1.347 3.154 -4.529) 5.681 13.004 ( -7.728 0.137 -11.619) 13.955 13.412 ( 1.330 0.835 0.837) 1.780 13.742 ( -3.404 -1.847 -5.383) 6.631 13.827 ( -6.451 1.410 -3.804) 7.620 13.993 ( 6.537 -1.948 4.082) 7.949 15.777 ( -4.104 0.668 -2.543) 4.875 16.480 ( -1.455 1.292 0.678) 2.061 16.760 ( 4.352 -0.679 4.244) 6.116 16.893 ( 2.244 -1.594 2.816) 3.938 17.193 ( -2.291 0.387 -0.384) 2.355 17.561 ( 6.006 -1.770 5.841) 8.563 18.874 ( -16.221 -3.056 1.954) 16.622 20.483 ( 23.281 2.262 6.920) 24.393 20.826 ( 9.670 1.831 -5.097) 11.084 21.012 ( -2.365 -5.297 0.274) 5.807 21.177 ( -3.040 1.863 2.737) 4.495 21.381 ( -4.765 2.322 0.537) 5.328 21.602 ( -0.643 -0.230 -0.078) 0.687 21.940 ( -0.333 0.543 -11.418) 11.436 22.765 ( -15.317 6.555 -6.406) 17.850 23.542 ( -1.901 -0.912 1.810) 2.779 23.620 ( 0.586 -0.180 7.930) 7.953 24.035 ( 6.546 -2.148 2.453) 7.313 25.626 ( -0.972 -2.439 6.397) 6.914 25.677 ( 0.843 1.713 0.792) 2.067 25.959 ( 1.367 3.068 6.251) 7.096 26.502 ( 2.236 -0.869 -11.186) 11.440 26.530 ( 0.975 0.003 -1.190) 1.538 27.158 ( -1.909 -0.886 0.339) 2.132 27.225 ( 0.178 -5.592 1.757) 5.864 27.487 ( 1.319 3.525 -3.214) 4.949 27.924 ( -5.607 -1.176 -7.064) 9.095 28.290 ( -0.253 3.788 -3.415) 5.107 28.337 ( 0.391 7.356 -3.155) 8.014 29.048 ( 0.162 -3.839 2.090) 4.374 29.564 ( 2.696 -0.000 2.887) 3.950 30.316 ( 2.674 -2.327 1.948) 4.044 30.408 ( -5.146 -0.083 -7.289) 8.923 30.765 ( -0.757 -0.715 -1.732) 2.021 31.218 ( 0.436 0.994 5.270) 5.380 31.643 ( -0.127 -0.021 -3.682) 3.684 32.334 ( 0.528 0.881 -0.773) 1.285 32.945 ( 0.425 -0.251 1.825) 1.890 46.390 ( -0.946 0.811 4.503) 4.672 46.512 ( -0.861 -0.805 1.757) 2.116 47.901 ( 0.377 -0.438 0.938) 1.102 47.960 ( 0.692 -0.399 -3.109) 3.210 48.050 ( -0.100 1.069 -1.632) 1.954 48.463 ( 0.983 0.053 -1.064) 1.450 48.796 ( -0.267 0.258 -1.082) 1.144 49.488 ( -0.180 -0.311 0.016) 0.360 87.934 ( 1.493 -0.190 -0.517) 1.591 87.988 ( -1.132 0.383 0.124) 1.201 89.157 ( -1.842 -0.617 2.279) 2.994 89.278 ( -2.452 1.656 -1.820) 3.474 89.398 ( -0.551 0.981 -5.761) 5.870 90.194 ( 9.625 -4.510 5.923) 12.168 91.602 ( 0.541 1.222 2.369) 2.720 92.696 ( -3.918 -0.658 -3.211) 5.109 97.574 ( 1.062 -2.191 0.466) 2.480 97.731 ( -1.112 2.638 -0.730) 2.955 97.936 ( -2.411 1.649 0.900) 3.056 98.432 ( -1.136 -1.949 -0.561) 2.325 99.389 ( 0.070 3.651 0.763) 3.731 99.433 ( 0.735 4.150 -2.071) 4.696 99.780 ( 1.285 -3.161 0.590) 3.463 100.018 ( 3.872 -5.868 2.729) 7.542 ======================= Grid point 196 (104/118) ======================= q-point: ( 0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -11.212 0.000 16.376) 19.847 3.871 ( -3.126 0.000 1.601) 3.512 3.916 ( -13.092 0.000 16.625) 21.161 4.229 ( -5.943 0.000 -4.046) 7.190 4.301 ( -5.044 0.000 -19.149) 19.802 4.552 ( 4.566 -0.000 4.269) 6.251 4.684 ( -2.178 0.000 16.360) 16.504 4.983 ( 1.824 -0.000 1.970) 2.685 5.178 ( -0.376 0.000 -5.830) 5.842 5.314 ( -8.327 0.000 2.440) 8.677 5.432 ( 2.384 -0.000 -0.070) 2.386 5.515 ( 5.648 -0.000 -14.293) 15.368 5.693 ( 7.205 -0.000 -9.840) 12.195 5.836 ( -5.491 0.000 2.292) 5.950 5.994 ( -2.861 0.000 4.417) 5.263 6.055 ( 2.196 -0.000 1.533) 2.678 6.356 ( 0.681 -0.000 -1.762) 1.890 6.405 ( 0.891 -0.000 -10.029) 10.068 6.439 ( 2.843 -0.000 6.327) 6.936 6.701 ( 0.902 -0.000 11.366) 11.402 6.914 ( 2.657 -0.000 0.173) 2.662 7.107 ( -5.140 0.000 3.751) 6.364 7.259 ( -6.282 0.000 -4.625) 7.801 7.288 ( -3.467 0.000 -3.942) 5.249 7.500 ( 10.965 -0.000 9.725) 14.657 7.569 ( 1.822 -0.000 -5.216) 5.525 7.573 ( 12.699 -0.000 11.665) 17.244 8.039 ( 4.485 -0.000 0.122) 4.487 8.322 ( 9.975 -0.000 7.790) 12.657 8.324 ( -3.429 0.000 -1.264) 3.655 8.540 ( -4.461 0.000 -7.704) 8.902 8.555 ( 9.560 -0.000 -17.517) 19.956 8.905 ( 5.065 -0.000 1.484) 5.278 9.193 ( -17.232 0.000 -3.750) 17.635 9.545 ( 0.297 -0.000 8.394) 8.399 9.822 ( 4.977 -0.000 -8.593) 9.930 10.187 ( -8.532 0.000 1.519) 8.666 10.245 ( 10.461 -0.000 8.286) 13.345 10.588 ( -15.653 0.000 -7.192) 17.226 11.925 ( -1.837 0.000 1.989) 2.708 12.182 ( -3.491 0.000 -3.918) 5.248 12.256 ( -3.847 0.000 -8.186) 9.045 12.449 ( 1.822 -0.000 0.287) 1.845 12.550 ( 2.402 -0.000 1.649) 2.913 13.048 ( 9.996 -0.000 2.809) 10.383 13.395 ( -0.438 0.000 0.663) 0.795 13.781 ( 4.753 -0.000 0.025) 4.753 13.842 ( 5.752 -0.000 6.401) 8.606 13.916 ( -10.441 0.000 -4.013) 11.186 15.767 ( 3.464 -0.000 5.605) 6.589 16.451 ( -0.592 0.000 3.754) 3.800 16.739 ( -4.887 0.000 -2.697) 5.582 16.975 ( 0.882 -0.000 -6.815) 6.872 17.179 ( 0.778 -0.000 4.796) 4.859 17.565 ( -4.684 0.000 -4.347) 6.390 19.288 ( 26.254 -0.000 -1.389) 26.291 19.985 ( -34.592 0.000 0.660) 34.599 20.693 ( -2.586 0.000 0.707) 2.681 21.132 ( 1.763 -0.000 -3.848) 4.233 21.246 ( 3.211 -0.000 -2.121) 3.848 21.510 ( 4.138 -0.000 -6.116) 7.384 21.598 ( -1.126 0.000 0.489) 1.228 21.854 ( 1.947 -0.000 -0.955) 2.168 22.887 ( 17.774 -0.000 9.886) 20.339 23.527 ( -0.602 0.000 4.614) 4.653 23.656 ( -1.774 0.000 0.944) 2.009 24.028 ( -6.114 0.000 -8.082) 10.134 25.541 ( -4.088 0.000 6.825) 7.956 25.795 ( 1.967 -0.000 -7.064) 7.332 26.105 ( 4.454 -0.000 -8.741) 9.811 26.305 ( -5.049 0.000 6.442) 8.184 26.563 ( 1.409 -0.000 -4.707) 4.914 27.197 ( 2.485 -0.000 0.626) 2.563 27.312 ( -1.437 0.000 -3.112) 3.428 27.436 ( 1.085 -0.000 -3.006) 3.196 27.936 ( 4.640 -0.000 3.580) 5.860 28.262 ( 3.483 -0.000 4.281) 5.519 28.269 ( 1.344 -0.000 -3.313) 3.575 29.161 ( 3.728 -0.000 -4.796) 6.075 29.547 ( -4.989 0.000 -3.294) 5.978 30.311 ( -3.961 0.000 -3.090) 5.024 30.359 ( 3.618 -0.000 8.260) 9.018 30.774 ( 1.166 -0.000 -0.416) 1.238 31.293 ( 0.134 -0.000 -5.355) 5.357 31.577 ( -0.245 0.000 5.075) 5.081 32.307 ( -0.120 0.000 0.640) 0.652 32.929 ( -1.650 0.000 2.146) 2.707 46.415 ( 0.124 -0.000 1.945) 1.949 46.484 ( -1.988 0.000 4.619) 5.029 47.887 ( -1.033 0.000 0.694) 1.245 47.972 ( 0.945 -0.000 -3.290) 3.423 48.060 ( 1.709 -0.000 -1.711) 2.418 48.448 ( -0.715 0.000 -1.002) 1.230 48.791 ( 0.475 -0.000 0.132) 0.493 49.497 ( 0.285 -0.000 -0.410) 0.499 87.916 ( -0.793 0.000 -0.670) 1.038 88.026 ( 1.722 -0.000 -1.728) 2.440 89.203 ( 2.972 -0.000 4.046) 5.020 89.222 ( -0.386 0.000 4.648) 4.664 89.364 ( 0.849 -0.000 -1.651) 1.856 90.248 ( -7.079 0.000 -13.784) 15.496 91.591 ( -0.259 0.000 1.946) 1.963 92.625 ( -0.424 0.000 8.947) 8.957 97.554 ( -2.961 0.000 -0.295) 2.975 97.738 ( 3.402 -0.000 1.899) 3.896 97.965 ( 2.396 -0.000 1.054) 2.618 98.418 ( -0.668 0.000 3.070) 3.142 99.334 ( -2.207 0.000 1.203) 2.514 99.411 ( 0.701 -0.000 -1.627) 1.772 99.810 ( -0.815 0.000 -2.596) 2.721 100.092 ( -1.218 0.000 -6.779) 6.887 ======================= Grid point 197 (105/118) ======================= q-point: (-0.67 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -6.740 -1.513 21.342) 22.432 3.726 ( -3.897 8.245 9.547) 13.203 3.904 ( -1.640 -3.385 4.609) 5.949 4.105 ( -6.606 -0.994 -5.019) 8.356 4.169 ( -4.536 -5.443 -15.842) 17.354 4.638 ( 1.152 2.584 7.837) 8.332 4.707 ( 1.122 1.103 10.748) 10.862 5.002 ( -2.463 -0.878 -0.983) 2.794 5.180 ( 5.372 0.804 -6.070) 8.145 5.221 ( -4.994 -0.819 10.103) 11.300 5.451 ( 1.877 3.085 1.608) 3.953 5.563 ( 6.842 -1.914 -15.326) 16.893 5.699 ( 1.123 3.109 -4.379) 5.487 5.801 ( -1.310 -3.422 -1.248) 3.871 5.964 ( 0.251 3.532 0.172) 3.545 6.142 ( 0.310 -5.483 3.516) 6.520 6.306 ( -0.363 3.876 -3.413) 5.177 6.419 ( 0.772 -2.630 -5.465) 6.114 6.499 ( -0.140 -2.579 4.371) 5.077 6.717 ( -3.144 0.494 8.579) 9.150 6.909 ( -6.180 1.606 4.819) 7.999 7.037 ( -3.758 -3.261 0.163) 4.978 7.146 ( -0.446 3.115 -2.592) 4.077 7.234 ( -4.380 -2.953 -3.986) 6.618 7.495 ( 3.614 8.739 2.759) 9.851 7.824 ( 6.768 -3.813 0.277) 7.773 7.842 ( 15.949 -1.491 6.285) 17.208 8.082 ( 1.948 1.002 -6.888) 7.228 8.229 ( -11.525 1.118 -4.527) 12.433 8.313 ( 2.030 -0.602 2.267) 3.102 8.601 ( 1.589 -1.193 -8.890) 9.109 8.697 ( 15.322 -2.104 1.860) 15.577 8.901 ( -14.691 2.254 -0.703) 14.879 8.973 ( 2.113 -0.166 1.160) 2.416 9.597 ( 1.317 -0.079 6.535) 6.667 9.876 ( 4.567 -2.195 -10.373) 11.545 10.028 ( -7.856 2.800 1.423) 8.460 10.385 ( 1.308 0.421 3.186) 3.470 10.407 ( -0.709 -0.924 -0.061) 1.166 11.891 ( -1.595 0.837 -1.133) 2.128 12.122 ( -1.519 1.173 -3.059) 3.612 12.179 ( -2.356 -2.057 -2.770) 4.178 12.470 ( 1.196 0.050 -2.227) 2.528 12.628 ( 2.995 -2.107 3.622) 5.150 13.209 ( 7.783 0.452 2.839) 8.297 13.409 ( 0.919 -0.398 0.007) 1.001 13.676 ( -12.281 0.747 -4.984) 13.275 13.844 ( 2.869 0.648 -0.104) 2.943 13.961 ( 3.111 -0.444 4.541) 5.523 15.855 ( 2.909 -0.453 4.046) 5.003 16.473 ( -0.028 -1.230 4.823) 4.977 16.654 ( -3.075 0.021 -1.878) 3.603 16.928 ( -0.291 2.084 -8.770) 9.019 17.224 ( 1.170 -0.173 6.181) 6.293 17.466 ( -3.535 0.888 -4.746) 5.984 19.430 ( -31.685 -2.290 0.065) 31.768 19.734 ( 28.449 2.796 -0.385) 28.589 20.684 ( -1.409 -3.359 1.040) 3.789 21.094 ( 1.646 7.052 -2.167) 7.559 21.304 ( 2.725 -1.035 -4.344) 5.232 21.498 ( 1.498 2.139 -4.658) 5.340 21.601 ( -1.480 -1.929 1.509) 2.861 21.902 ( 1.343 -3.090 -1.601) 3.730 23.253 ( 15.888 -3.058 12.477) 20.431 23.542 ( 0.660 0.757 3.804) 3.934 23.624 ( -2.037 -0.367 -0.477) 2.124 23.824 ( -10.230 3.220 -11.700) 15.872 25.511 ( -4.243 -0.721 7.910) 9.005 25.782 ( 2.930 1.908 -8.598) 9.282 26.127 ( 1.841 -0.047 -5.297) 5.608 26.280 ( -3.015 -2.661 3.553) 5.366 26.557 ( 0.995 0.467 -5.211) 5.326 27.168 ( -0.677 5.581 -1.890) 5.932 27.296 ( 2.389 0.901 0.662) 2.638 27.467 ( 0.379 -2.887 -2.910) 4.117 27.990 ( -2.322 -3.243 0.314) 4.001 28.346 ( 8.816 0.789 1.862) 9.045 28.389 ( 4.823 -3.458 4.930) 7.715 29.131 ( 1.134 7.780 -5.809) 9.775 29.484 ( -3.525 -4.414 -2.274) 6.089 30.229 ( -3.398 0.261 -2.232) 4.074 30.431 ( -0.049 -0.854 5.044) 5.116 30.778 ( 0.368 0.260 -2.022) 2.071 31.263 ( -1.011 -0.103 -2.971) 3.140 31.611 ( 1.282 -0.146 3.664) 3.884 32.324 ( 1.595 -0.165 0.434) 1.661 32.916 ( -1.073 0.025 2.742) 2.944 46.429 ( -0.026 -0.602 1.679) 1.783 46.471 ( -1.804 0.542 4.927) 5.275 47.875 ( -0.825 -0.036 1.084) 1.363 47.967 ( 0.730 0.238 -3.708) 3.787 48.083 ( 1.728 -0.183 -2.066) 2.700 48.438 ( -0.200 -0.133 -0.102) 0.261 48.803 ( 0.551 -0.204 0.257) 0.641 49.494 ( -0.192 0.167 -0.806) 0.846 87.906 ( -0.231 -0.125 -0.438) 0.511 88.036 ( 0.758 0.253 -2.169) 2.312 89.200 ( 0.305 3.645 3.809) 5.281 89.333 ( 2.107 -3.772 8.123) 9.201 89.382 ( 2.940 -1.988 -3.290) 4.839 90.017 ( -8.974 3.056 -14.119) 17.006 91.614 ( 1.760 0.174 1.519) 2.331 92.664 ( -0.955 -1.002 9.075) 9.180 97.509 ( -2.576 -0.745 -0.302) 2.699 97.804 ( 4.070 1.737 2.260) 4.969 98.017 ( 1.846 -1.482 0.832) 2.509 98.409 ( -1.248 1.342 3.255) 3.735 99.333 ( -1.986 -5.019 1.362) 5.567 99.442 ( 0.808 -3.599 -0.969) 3.814 99.755 ( -1.587 3.210 -2.483) 4.357 99.998 ( -1.096 5.146 -8.549) 10.039 ======================= Grid point 198 (106/118) ======================= q-point: (-0.50 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -3.077 -1.973 21.030) 21.346 3.689 ( 2.778 3.961 14.162) 14.965 3.916 ( 0.648 1.716 -5.207) 5.521 4.034 ( -3.608 -2.695 2.276) 5.046 4.189 ( 2.537 -8.684 -4.216) 9.981 4.604 ( -3.534 -1.306 4.434) 5.819 4.829 ( 6.450 -0.698 4.572) 7.937 4.930 ( -3.430 0.053 -4.513) 5.669 5.220 ( 2.911 5.723 -0.480) 6.438 5.254 ( 2.751 -1.636 6.333) 7.096 5.436 ( -1.851 1.771 3.786) 4.571 5.606 ( 6.598 1.018 -18.371) 19.547 5.728 ( 6.001 -0.911 -4.091) 7.320 5.819 ( -4.685 -3.631 9.248) 10.984 5.917 ( 3.546 5.097 -4.447) 7.637 6.136 ( -5.478 1.607 3.733) 6.821 6.290 ( 0.198 -0.261 1.273) 1.315 6.409 ( -0.245 -0.414 -6.453) 6.471 6.558 ( -1.139 -4.874 3.356) 6.026 6.696 ( -1.903 1.805 2.896) 3.907 6.777 ( -9.500 -3.029 8.404) 13.041 7.030 ( -4.859 -5.199 -1.854) 7.354 7.114 ( 0.228 2.007 -4.167) 4.631 7.198 ( -0.677 -0.760 1.445) 1.768 7.445 ( -0.110 6.188 -1.260) 6.316 7.829 ( -5.327 2.439 -0.462) 5.877 7.903 ( -8.257 -0.840 -12.869) 15.313 8.089 ( 6.427 0.806 -4.957) 8.156 8.231 ( 8.203 -2.906 4.919) 9.996 8.379 ( 3.904 0.615 -0.069) 3.952 8.523 ( -8.238 1.319 -2.901) 8.833 8.653 ( -8.137 3.016 -0.536) 8.694 8.972 ( -1.854 0.066 -2.204) 2.881 9.005 ( 15.387 -1.604 5.619) 16.460 9.617 ( -1.410 0.749 2.357) 2.847 9.891 ( -0.537 3.946 1.135) 4.141 10.021 ( 9.030 -3.760 -0.815) 9.815 10.374 ( -6.036 0.499 -0.360) 6.067 10.479 ( 9.029 -0.876 0.723) 9.100 11.851 ( -1.742 -1.150 -3.130) 3.762 12.100 ( 1.605 0.688 0.166) 1.754 12.195 ( 0.699 -2.027 1.954) 2.901 12.464 ( 0.001 0.119 -4.251) 4.252 12.705 ( 2.130 0.141 2.744) 3.477 13.232 ( -6.036 2.151 -8.131) 10.352 13.408 ( 2.021 1.041 2.384) 3.294 13.578 ( -0.012 -5.385 -0.029) 5.385 13.872 ( 2.040 0.906 0.424) 2.272 13.979 ( -1.883 1.283 0.861) 2.436 15.877 ( -1.662 0.451 -0.395) 1.767 16.521 ( 0.223 -1.653 4.931) 5.205 16.644 ( 1.699 -0.401 1.724) 2.453 16.851 ( -0.738 1.669 -6.872) 7.110 17.257 ( -0.678 0.588 2.678) 2.824 17.410 ( -0.139 -0.586 0.197) 0.633 19.001 ( -25.798 -5.848 0.761) 26.464 20.172 ( 29.371 5.051 2.223) 29.885 20.739 ( -0.078 -6.060 0.937) 6.133 21.005 ( 1.997 9.020 -2.975) 9.706 21.300 ( -0.501 1.256 -2.630) 2.957 21.494 ( 2.131 1.566 -2.878) 3.908 21.597 ( -2.652 -1.380 2.771) 4.076 21.942 ( 0.121 -3.292 -5.457) 6.374 23.434 ( -11.247 8.594 -8.894) 16.716 23.509 ( 0.341 -0.171 14.009) 14.014 23.580 ( -1.560 -0.580 -1.865) 2.500 23.719 ( 9.181 -4.521 -1.018) 10.284 25.501 ( -3.215 -1.815 9.069) 9.792 25.771 ( 3.724 2.977 -7.531) 8.913 26.112 ( -1.246 3.068 5.704) 6.596 26.310 ( 0.432 -7.234 -8.199) 10.942 26.540 ( 0.334 0.325 -3.960) 3.988 27.093 ( 0.679 4.339 -0.231) 4.398 27.303 ( -0.354 1.905 -0.623) 2.035 27.495 ( 1.239 -1.657 -2.054) 2.915 27.951 ( -6.549 -4.238 -4.015) 8.773 28.471 ( 7.230 4.683 2.586) 8.993 28.552 ( 8.311 0.028 5.287) 9.850 28.987 ( -1.787 7.615 -3.967) 8.770 29.497 ( -2.137 -4.956 -1.584) 5.625 30.192 ( -1.061 -1.520 -0.013) 1.854 30.426 ( -3.538 -2.249 -1.232) 4.370 30.763 ( -0.653 -0.403 -3.542) 3.624 31.247 ( -0.252 0.875 3.019) 3.154 31.642 ( 1.087 -0.220 -0.801) 1.368 32.357 ( 2.322 0.778 0.152) 2.453 32.920 ( -0.220 -0.152 2.936) 2.948 46.436 ( -0.967 0.566 3.618) 3.787 46.465 ( -0.797 -0.617 2.934) 3.102 47.873 ( -0.507 -0.445 1.437) 1.588 47.959 ( 0.777 0.210 -3.915) 3.997 48.095 ( 0.976 0.426 -2.356) 2.586 48.446 ( 0.893 -0.031 0.465) 1.007 48.812 ( 0.295 0.083 -0.135) 0.335 49.482 ( -0.590 -0.166 -0.857) 1.054 87.908 ( 0.398 -0.275 -0.168) 0.512 88.026 ( -0.274 0.416 -1.868) 1.933 89.175 ( -0.040 2.802 3.319) 4.344 89.362 ( -1.017 0.371 2.923) 3.118 89.507 ( 2.448 -2.918 -4.421) 5.835 89.830 ( -2.262 -1.876 -4.675) 5.522 91.644 ( 2.147 1.444 1.094) 2.809 92.692 ( -1.616 -0.929 5.997) 6.280 97.489 ( -1.789 -2.012 -0.260) 2.704 97.841 ( 3.732 4.030 1.755) 5.767 98.049 ( -0.267 0.159 0.777) 0.837 98.380 ( -1.732 0.523 1.917) 2.636 99.415 ( -0.265 -8.858 2.113) 9.111 99.514 ( 0.971 -5.377 -0.417) 5.480 99.667 ( -1.348 4.686 -0.777) 4.938 99.870 ( -0.204 5.933 -8.089) 10.034 ======================= Grid point 199 (107/118) ======================= q-point: (-0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 0.368 -4.601 17.116) 17.728 3.782 ( -0.425 1.152 11.025) 11.093 3.914 ( 5.753 2.910 9.621) 11.582 4.064 ( -1.929 -6.825 3.678) 7.989 4.342 ( 4.568 -4.010 -1.341) 6.224 4.651 ( -0.564 -7.835 2.330) 8.194 4.821 ( -1.353 -1.938 -17.919) 18.074 4.966 ( 3.927 2.149 1.880) 4.856 5.177 ( 1.405 3.965 5.243) 6.722 5.333 ( -3.310 -0.965 4.865) 5.963 5.391 ( 3.706 3.650 -2.209) 5.651 5.619 ( 6.494 3.878 -10.507) 12.946 5.733 ( -5.914 1.093 6.133) 8.590 5.811 ( 6.838 5.579 -4.590) 9.947 5.988 ( -1.760 -6.365 5.751) 8.757 6.063 ( -0.528 1.081 1.901) 2.250 6.254 ( 0.201 5.650 5.086) 7.604 6.387 ( -1.333 -2.112 -6.614) 7.070 6.547 ( -5.706 1.532 1.066) 6.003 6.607 ( -3.454 -1.875 -0.919) 4.036 6.882 ( 2.542 -7.564 10.347) 13.066 6.976 ( -6.470 -5.983 -2.275) 9.101 7.073 ( -1.192 1.799 1.616) 2.696 7.192 ( -3.678 0.036 -2.538) 4.469 7.346 ( -1.691 -2.031 -6.122) 6.668 7.712 ( -7.016 -1.902 -15.485) 17.106 7.762 ( 1.076 4.300 5.473) 7.042 8.131 ( 3.693 3.966 -2.728) 6.067 8.251 ( -7.764 2.276 -4.164) 9.100 8.310 ( -8.607 5.340 4.282) 10.997 8.485 ( 8.521 -0.374 0.410) 8.539 8.619 ( 5.270 0.222 -1.999) 5.641 8.882 ( -5.376 0.200 -6.355) 8.326 9.313 ( 14.870 -1.088 7.922) 16.884 9.587 ( -1.096 1.355 3.943) 4.311 9.838 ( 0.679 4.815 0.937) 4.952 10.162 ( -10.502 0.926 -2.682) 10.878 10.268 ( 5.507 -3.496 -1.994) 6.821 10.684 ( 11.158 -2.690 2.013) 11.653 11.848 ( -1.232 -3.631 -0.544) 3.873 12.158 ( 4.863 -0.137 2.863) 5.645 12.258 ( 2.629 -1.170 2.646) 3.909 12.431 ( -0.877 0.152 -4.812) 4.894 12.709 ( 0.750 4.007 0.628) 4.124 13.011 ( -9.733 0.334 -12.708) 16.010 13.449 ( 2.238 1.776 2.469) 3.776 13.671 ( 1.695 -3.296 -1.390) 3.958 13.883 ( -5.541 2.745 -2.263) 6.585 13.926 ( 3.337 -2.380 2.584) 4.845 15.806 ( -3.790 1.325 -1.886) 4.436 16.528 ( -1.257 1.686 0.946) 2.306 16.723 ( 3.372 -2.017 4.895) 6.277 16.837 ( 1.194 -2.055 -1.583) 2.856 17.214 ( -2.271 1.241 -0.632) 2.664 17.486 ( 3.542 -3.465 4.326) 6.577 18.742 ( -15.218 -6.395 1.027) 16.539 20.573 ( 21.574 4.017 6.188) 22.800 20.833 ( 0.293 -7.153 0.534) 7.179 20.934 ( 5.986 6.707 -5.992) 10.804 21.241 ( -3.513 2.645 1.925) 4.800 21.463 ( -2.049 2.836 -1.316) 3.738 21.586 ( -0.794 -0.462 1.357) 1.639 21.938 ( -0.256 -1.579 -8.926) 9.068 23.025 ( -13.365 11.697 -9.058) 19.937 23.516 ( -1.945 -0.565 2.060) 2.889 23.606 ( -0.289 -0.947 8.490) 8.548 23.944 ( 7.832 -4.388 1.132) 9.048 25.542 ( -1.078 -3.314 9.467) 10.088 25.745 ( 1.420 3.370 -4.915) 6.126 26.072 ( -0.500 4.761 6.822) 8.334 26.396 ( 2.449 -8.340 -11.135) 14.126 26.529 ( 0.229 -0.253 -2.545) 2.568 27.081 ( 1.539 0.553 0.493) 1.708 27.231 ( -3.390 2.769 -1.019) 4.494 27.530 ( 1.890 -0.332 -1.381) 2.364 27.870 ( -5.252 -2.801 -5.471) 8.085 28.476 ( 3.155 9.013 -0.266) 9.553 28.607 ( 4.283 11.559 -0.330) 12.332 28.930 ( 0.567 -3.032 1.446) 3.407 29.520 ( -1.131 -4.128 -0.047) 4.281 30.231 ( 0.654 -3.645 1.951) 4.185 30.377 ( -3.820 -2.429 -5.102) 6.821 30.740 ( -1.131 -1.025 -3.197) 3.543 31.258 ( 0.796 1.696 6.077) 6.359 31.641 ( -0.036 -0.139 -4.143) 4.145 32.373 ( 1.372 1.881 0.059) 2.330 32.936 ( 0.093 -0.399 2.448) 2.482 46.423 ( -0.921 1.449 4.311) 4.641 46.479 ( -0.829 -1.426 2.147) 2.707 47.882 ( -0.339 -0.880 1.522) 1.790 47.954 ( 1.027 -0.001 -3.845) 3.980 48.083 ( 0.294 1.173 -2.177) 2.491 48.467 ( 1.394 0.261 0.030) 1.419 48.808 ( -0.040 0.566 -0.656) 0.867 49.474 ( -0.540 -0.676 -0.491) 0.995 87.925 ( 1.059 -0.462 -0.061) 1.157 88.002 ( -0.981 0.507 -1.228) 1.651 89.163 ( 0.079 1.563 3.575) 3.903 89.329 ( -2.930 1.859 1.144) 3.654 89.438 ( -1.924 1.915 -9.225) 9.616 89.989 ( 6.494 -10.426 3.182) 12.689 91.653 ( 1.215 2.371 1.221) 2.931 92.685 ( -2.228 0.235 2.464) 3.331 97.498 ( -0.954 -3.082 -0.156) 3.230 97.841 ( 2.897 5.500 1.023) 6.300 98.003 ( -2.503 2.978 0.720) 3.956 98.369 ( -1.373 -1.940 0.639) 2.462 99.500 ( 0.027 0.157 -0.703) 0.721 99.562 ( 0.788 2.778 1.233) 3.140 99.646 ( 0.349 -5.230 0.338) 5.253 99.818 ( 1.148 -4.180 -3.946) 5.862 ======================= Grid point 200 (108/118) ======================= q-point: (-0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 0.713 -3.332 11.291) 11.794 3.725 ( -6.645 -1.236 10.245) 12.274 4.059 ( 0.762 1.996 23.172) 23.270 4.178 ( 0.694 -7.886 9.926) 12.696 4.424 ( 1.796 -4.633 -7.455) 8.959 4.631 ( -3.728 -0.150 -18.774) 19.141 4.823 ( -0.516 -2.469 -2.522) 3.566 4.921 ( -0.766 2.286 -5.590) 6.088 5.229 ( -1.169 -1.619 1.897) 2.754 5.299 ( 1.703 -1.782 5.073) 5.640 5.382 ( 0.624 3.436 -1.089) 3.659 5.565 ( -0.409 4.014 -2.514) 4.754 5.732 ( 2.304 8.507 1.155) 8.889 5.802 ( 1.230 -1.837 -1.944) 2.944 6.049 ( 3.260 2.687 3.874) 5.732 6.062 ( -1.760 -5.031 5.978) 8.009 6.285 ( 8.418 4.485 -1.907) 9.727 6.333 ( -3.350 0.482 -3.431) 4.820 6.470 ( -0.891 1.325 0.610) 1.709 6.570 ( -3.439 -2.935 -3.853) 5.940 6.900 ( -1.128 -0.673 -0.453) 1.390 7.011 ( -2.322 1.294 1.440) 3.023 7.119 ( -2.912 -4.972 6.034) 8.344 7.170 ( 2.636 -7.088 11.757) 13.979 7.407 ( 4.100 -4.530 -4.466) 7.568 7.555 ( -7.724 -4.047 -14.811) 17.187 7.784 ( 0.810 3.253 4.817) 5.868 8.036 ( 0.038 7.925 0.889) 7.975 8.060 ( -8.081 3.966 0.063) 9.002 8.227 ( 6.680 4.518 -4.964) 9.470 8.629 ( 7.142 -0.465 -0.375) 7.167 8.687 ( 1.512 -0.821 -1.691) 2.413 8.748 ( -3.666 1.555 -9.739) 10.521 9.491 ( -0.292 -0.606 4.683) 4.731 9.690 ( 12.036 1.169 11.213) 16.491 9.793 ( -1.287 2.506 -1.676) 3.278 9.886 ( -11.553 2.865 -6.189) 13.415 10.352 ( -0.571 -1.790 -1.801) 2.602 10.875 ( 3.385 -4.335 -0.183) 5.503 11.888 ( -1.016 -4.049 2.610) 4.923 12.277 ( 5.889 -0.672 1.978) 6.249 12.318 ( 1.534 -1.006 0.229) 1.849 12.399 ( -0.644 -0.189 -2.607) 2.692 12.642 ( -0.887 6.216 -0.635) 6.311 12.831 ( -3.594 -0.852 -10.750) 11.366 13.453 ( 0.385 2.072 0.660) 2.208 13.698 ( 1.236 0.710 -2.418) 2.807 13.747 ( -3.353 2.435 -1.506) 4.409 14.032 ( 0.934 -4.212 2.598) 5.037 15.730 ( -2.115 1.415 0.230) 2.555 16.481 ( -1.426 1.839 1.322) 2.676 16.813 ( 1.260 -1.417 3.111) 3.643 16.897 ( 1.580 -3.655 -0.616) 4.029 17.169 ( -1.299 0.642 0.359) 1.493 17.610 ( 1.719 -4.471 2.363) 5.341 18.688 ( 0.323 -5.123 0.492) 5.156 20.721 ( -1.235 3.334 9.300) 9.956 20.903 ( -2.949 -2.136 -3.508) 5.056 21.010 ( 1.901 -4.468 -7.333) 8.795 21.192 ( 8.103 3.486 5.096) 10.188 21.351 ( -3.252 4.785 -2.208) 6.192 21.598 ( 0.751 -0.317 0.739) 1.100 21.901 ( 0.824 1.053 -9.541) 9.634 22.689 ( -4.149 10.823 -2.468) 11.851 23.509 ( -1.510 -1.191 2.506) 3.159 23.648 ( -0.423 -0.806 6.484) 6.548 24.079 ( 2.465 -3.354 -0.885) 4.256 25.609 ( -1.450 -1.643 7.353) 7.673 25.710 ( 1.029 0.497 -1.180) 1.642 26.050 ( 1.685 3.314 2.495) 4.477 26.452 ( -0.101 -2.584 -9.188) 9.545 26.534 ( 1.113 -0.854 -2.129) 2.550 27.136 ( 1.634 -3.774 0.716) 4.175 27.153 ( -1.990 -0.362 -0.341) 2.051 27.542 ( 1.373 1.990 -1.609) 2.904 27.819 ( -0.992 -1.487 -4.507) 4.849 28.357 ( -0.529 10.087 -1.635) 10.232 28.479 ( 1.322 12.160 -2.621) 12.509 29.014 ( 1.415 -4.588 0.326) 4.812 29.577 ( 0.697 -4.118 1.551) 4.456 30.275 ( -1.730 -1.457 0.131) 2.265 30.348 ( 0.097 -2.519 -2.330) 3.433 30.731 ( -0.427 -1.371 -1.442) 2.035 31.280 ( 1.657 1.912 4.465) 5.132 31.612 ( -1.269 -0.162 -3.677) 3.893 32.355 ( -0.279 2.059 0.183) 2.086 32.949 ( -0.496 -0.432 1.793) 1.910 46.412 ( -0.448 1.341 3.655) 3.919 46.490 ( -1.340 -1.260 2.770) 3.325 47.894 ( -0.491 -0.994 1.188) 1.625 47.958 ( 1.268 -0.200 -3.543) 3.768 48.061 ( 0.327 1.392 -1.732) 2.246 48.478 ( 0.684 0.581 -1.001) 1.344 48.795 ( -0.029 0.620 -0.692) 0.930 49.478 ( -0.074 -0.808 -0.088) 0.816 87.950 ( 0.846 -0.494 -0.627) 1.163 87.976 ( -0.372 0.353 -0.428) 0.668 89.165 ( 0.296 1.726 4.013) 4.378 89.245 ( -2.850 1.303 -1.205) 3.357 89.381 ( -0.056 0.808 -3.735) 3.822 90.229 ( 4.394 -9.953 -1.383) 10.968 91.637 ( -0.444 2.009 1.679) 2.656 92.642 ( -2.165 1.597 1.921) 3.306 97.533 ( -0.216 -3.762 0.108) 3.770 97.794 ( 0.132 6.322 0.184) 6.326 97.939 ( -0.536 2.414 1.068) 2.694 98.384 ( -0.919 -2.555 0.856) 2.847 99.448 ( -0.388 4.977 0.559) 5.024 99.501 ( 0.339 6.146 -1.583) 6.356 99.738 ( 0.719 -6.005 -0.375) 6.060 99.956 ( 1.669 -11.180 -1.159) 11.363 ======================= Grid point 203 (109/118) ======================= q-point: ( 0.33 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -3.519 0.000 24.417) 24.669 3.762 ( -1.030 0.000 -8.601) 8.662 3.928 ( 3.867 -0.000 -17.500) 17.922 3.988 ( -4.620 0.000 2.984) 5.500 4.017 ( -1.116 0.000 23.114) 23.141 4.692 ( -3.229 0.000 4.392) 5.451 4.753 ( 3.826 -0.000 -3.300) 5.052 4.950 ( -2.346 0.000 -0.469) 2.393 5.212 ( -2.083 0.000 17.638) 17.761 5.277 ( 7.914 -0.000 -3.076) 8.490 5.544 ( 2.445 -0.000 2.941) 3.824 5.586 ( 7.986 -0.000 -19.753) 21.306 5.719 ( -3.458 0.000 8.236) 8.932 5.732 ( 2.063 -0.000 -8.363) 8.613 6.068 ( 4.364 -0.000 2.005) 4.803 6.086 ( -2.361 0.000 2.302) 3.298 6.318 ( -2.191 0.000 -2.257) 3.145 6.377 ( 1.828 -0.000 -3.261) 3.739 6.484 ( -1.415 0.000 4.165) 4.399 6.677 ( -5.455 0.000 7.260) 9.081 6.765 ( -11.275 0.000 3.968) 11.953 6.989 ( -2.165 0.000 -4.584) 5.070 7.141 ( 0.310 -0.000 -2.697) 2.715 7.181 ( -0.651 0.000 2.165) 2.261 7.581 ( -2.747 0.000 -1.645) 3.202 7.767 ( -7.808 0.000 -8.747) 11.725 7.931 ( -7.571 0.000 -8.429) 11.330 8.087 ( 5.984 -0.000 -13.621) 14.878 8.193 ( 11.243 -0.000 9.895) 14.977 8.384 ( 3.438 -0.000 0.043) 3.438 8.535 ( -4.745 0.000 4.631) 6.630 8.708 ( -9.996 0.000 -0.209) 9.999 8.975 ( -2.307 0.000 -1.839) 2.951 8.989 ( 17.259 -0.000 6.899) 18.587 9.628 ( -0.834 0.000 1.929) 2.102 9.918 ( 7.127 -0.000 -3.793) 8.074 10.003 ( 1.559 -0.000 3.354) 3.698 10.376 ( -5.738 0.000 -0.912) 5.810 10.466 ( 8.594 -0.000 1.432) 8.712 11.832 ( -3.369 0.000 -6.409) 7.241 12.133 ( 0.722 -0.000 1.891) 2.024 12.142 ( 1.717 -0.000 0.812) 1.900 12.468 ( -0.180 0.000 -2.638) 2.644 12.696 ( 3.784 -0.000 4.469) 5.856 13.265 ( -6.143 0.000 -8.468) 10.461 13.443 ( 2.852 -0.000 0.378) 2.877 13.488 ( -1.286 0.000 2.024) 2.398 13.882 ( 0.829 -0.000 -0.521) 0.980 14.004 ( -0.764 0.000 3.691) 3.769 15.882 ( -0.961 0.000 0.174) 0.977 16.489 ( 0.473 -0.000 4.886) 4.909 16.638 ( 1.480 -0.000 1.621) 2.195 16.879 ( -1.663 0.000 -10.375) 10.507 17.264 ( 0.029 -0.000 4.693) 4.693 17.406 ( -1.783 0.000 -1.906) 2.609 18.916 ( -26.116 0.000 0.186) 26.117 20.246 ( 28.988 -0.000 0.799) 28.999 20.654 ( -0.224 0.000 1.398) 1.416 21.157 ( 0.365 -0.000 0.828) 0.905 21.336 ( 3.668 -0.000 -6.699) 7.637 21.481 ( -0.464 0.000 -8.337) 8.350 21.579 ( -1.173 0.000 4.742) 4.885 21.883 ( -0.539 0.000 -1.099) 1.224 23.498 ( 4.221 -0.000 16.793) 17.315 23.574 ( -2.354 0.000 -3.623) 4.320 23.590 ( -13.169 0.000 -11.607) 17.554 23.626 ( 10.277 -0.000 -1.145) 10.341 25.478 ( -3.737 0.000 8.927) 9.677 25.829 ( 5.365 -0.000 -6.388) 8.342 26.103 ( 1.507 -0.000 -13.567) 13.650 26.230 ( -4.860 0.000 9.069) 10.290 26.546 ( 0.454 -0.000 -5.761) 5.779 27.189 ( -0.413 0.000 -0.915) 1.004 27.333 ( 1.325 -0.000 -0.707) 1.502 27.453 ( 1.220 -0.000 -1.799) 2.174 27.884 ( -5.427 0.000 -2.339) 5.909 28.508 ( 7.232 -0.000 7.449) 10.382 28.567 ( 12.806 -0.000 5.525) 13.947 29.183 ( 0.432 -0.000 -8.068) 8.080 29.355 ( -5.183 0.000 -0.573) 5.215 30.172 ( -2.259 0.000 -1.115) 2.519 30.390 ( -4.946 0.000 0.343) 4.958 30.759 ( -0.945 0.000 -3.951) 4.063 31.259 ( 0.173 -0.000 3.402) 3.406 31.639 ( 1.135 -0.000 -0.700) 1.334 32.369 ( 3.062 -0.000 0.704) 3.142 32.918 ( -0.390 0.000 3.034) 3.059 46.430 ( -0.248 0.000 1.603) 1.622 46.470 ( -1.502 0.000 5.111) 5.327 47.866 ( -0.777 0.000 1.411) 1.611 47.963 ( 0.706 -0.000 -4.026) 4.087 48.099 ( 1.473 -0.000 -2.654) 3.036 48.447 ( 0.956 -0.000 1.176) 1.515 48.813 ( 0.557 -0.000 0.347) 0.657 49.480 ( -0.871 0.000 -1.319) 1.581 87.904 ( 0.248 -0.000 0.019) 0.249 88.031 ( -0.133 0.000 -2.778) 2.781 89.254 ( -0.979 0.000 4.750) 4.850 89.360 ( -0.363 0.000 6.251) 6.262 89.416 ( 6.553 -0.000 -3.328) 7.349 89.820 ( -8.279 0.000 -12.398) 14.908 91.665 ( 3.042 -0.000 0.621) 3.104 92.685 ( -1.225 0.000 9.649) 9.727 97.460 ( -2.189 0.000 -0.310) 2.211 97.913 ( 5.244 -0.000 2.875) 5.981 98.034 ( 1.014 -0.000 0.529) 1.144 98.404 ( -2.343 0.000 3.230) 3.990 99.268 ( -1.768 0.000 0.929) 1.998 99.427 ( 0.782 -0.000 -0.782) 1.106 99.738 ( -1.534 0.000 -1.718) 2.303 99.964 ( -1.435 0.000 -9.936) 10.039 ======================= Grid point 204 (110/118) ======================= q-point: (-0.50 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -2.864 -0.915 20.462) 20.682 3.716 ( -3.446 -3.966 -3.829) 6.501 3.838 ( -2.626 -4.553 -11.929) 13.035 4.003 ( 2.307 0.084 10.067) 10.329 4.280 ( 10.675 -1.206 18.113) 21.059 4.608 ( -1.995 4.504 3.122) 5.832 4.761 ( -2.870 -3.531 -13.036) 13.807 4.971 ( 3.318 -1.483 2.616) 4.478 5.261 ( -2.870 0.305 14.022) 14.316 5.370 ( 5.751 2.984 -4.477) 7.876 5.504 ( 0.073 6.329 3.143) 7.067 5.656 ( 9.277 -1.570 -17.719) 20.062 5.739 ( 0.423 -0.001 -1.813) 1.862 5.792 ( 1.066 -5.201 6.796) 8.623 5.973 ( -6.593 3.041 2.589) 7.708 6.143 ( 4.431 4.231 5.058) 7.945 6.296 ( -0.304 -1.853 -3.167) 3.682 6.393 ( 1.488 1.211 0.378) 1.956 6.501 ( -2.395 -1.238 6.214) 6.773 6.614 ( -6.380 0.691 -2.003) 6.723 6.691 ( 1.284 -6.261 8.012) 10.249 6.899 ( -5.080 -0.047 -7.328) 8.916 7.140 ( 0.479 2.025 -0.450) 2.129 7.181 ( -1.175 -0.970 0.198) 1.536 7.360 ( -10.597 3.386 -9.812) 14.834 7.572 ( -13.356 -6.745 -14.703) 20.978 7.857 ( 1.768 2.244 0.694) 2.940 8.170 ( 7.974 0.133 -7.286) 10.802 8.323 ( -4.064 2.891 3.626) 6.166 8.391 ( -2.526 -1.425 9.129) 9.578 8.523 ( 3.003 3.944 2.812) 5.699 8.616 ( 1.861 -0.656 -2.963) 3.560 8.891 ( -4.665 0.275 -4.815) 6.710 9.313 ( 17.017 0.664 10.011) 19.754 9.608 ( -0.884 0.301 0.084) 0.938 9.959 ( 1.034 3.197 2.590) 4.242 10.151 ( 7.478 -1.134 0.709) 7.597 10.208 ( -10.356 -0.970 -4.746) 11.433 10.634 ( 8.830 -1.007 1.039) 8.948 11.761 ( -2.884 -2.304 -4.950) 6.175 12.170 ( 4.100 1.008 3.238) 5.321 12.215 ( 3.179 -1.751 2.139) 4.213 12.441 ( -0.904 0.401 -3.144) 3.296 12.767 ( 2.403 0.632 3.226) 4.072 13.016 ( -12.155 0.063 -13.672) 18.294 13.491 ( 3.345 1.144 1.090) 3.699 13.603 ( 6.493 -1.464 4.739) 8.171 13.881 ( -0.421 -0.818 -0.986) 1.349 13.957 ( -4.330 1.996 0.720) 4.822 15.832 ( -3.405 0.587 -1.508) 3.770 16.532 ( 0.628 -0.974 4.804) 4.942 16.697 ( 2.966 0.183 2.574) 3.931 16.801 ( -1.600 -0.774 -7.803) 8.003 17.247 ( -2.245 0.953 0.129) 2.442 17.415 ( 1.091 -1.541 3.558) 4.028 18.600 ( -14.460 -3.516 0.492) 14.890 20.658 ( 15.250 1.782 3.759) 15.807 20.697 ( 6.864 -2.531 0.540) 7.335 21.130 ( 1.800 5.988 -1.155) 6.358 21.300 ( -1.529 2.844 -2.721) 4.222 21.457 ( -2.803 -2.627 -4.491) 5.910 21.601 ( 2.131 0.073 2.377) 3.194 21.869 ( -0.940 -2.169 -5.210) 5.721 23.274 ( -12.054 6.058 -11.403) 17.664 23.524 ( -1.885 0.836 0.456) 2.112 23.577 ( -1.170 -1.109 11.086) 11.203 23.840 ( 9.725 -2.900 0.104) 10.149 25.479 ( -2.060 -1.350 9.881) 10.183 25.856 ( 3.509 5.196 -5.676) 8.457 26.116 ( 3.012 -7.052 -10.313) 12.852 26.185 ( -4.862 -0.397 4.811) 6.852 26.525 ( 0.040 -0.008 -4.423) 4.423 27.168 ( 1.269 3.497 1.139) 3.891 27.310 ( -1.526 2.854 -2.086) 3.851 27.485 ( 1.579 -2.452 -1.821) 3.438 27.805 ( -3.806 -1.669 -3.254) 5.278 28.648 ( 6.708 2.852 6.722) 9.915 28.785 ( 11.280 2.442 5.021) 12.586 29.035 ( -3.380 9.910 -6.627) 12.391 29.349 ( -3.888 -8.488 -1.386) 9.438 30.157 ( -0.387 -1.639 0.483) 1.752 30.308 ( -4.768 -2.042 -2.920) 5.952 30.721 ( -1.275 -0.398 -4.450) 4.646 31.290 ( 0.833 0.660 7.283) 7.360 31.638 ( 0.190 -0.082 -4.684) 4.688 32.414 ( 2.225 0.993 0.858) 2.583 32.928 ( -0.188 -0.152 2.892) 2.902 46.434 ( -0.777 -0.483 2.250) 2.429 46.468 ( -0.910 0.499 4.391) 4.512 47.864 ( -0.681 -0.394 1.742) 1.912 47.956 ( 1.012 0.095 -4.291) 4.409 48.103 ( 0.722 0.356 -2.644) 2.764 48.474 ( 1.642 0.212 0.999) 1.934 48.820 ( 0.345 0.312 0.027) 0.466 49.459 ( -0.954 -0.369 -1.131) 1.526 87.914 ( 0.657 -0.261 0.338) 0.784 88.010 ( -0.756 0.122 -2.439) 2.556 89.229 ( -0.927 2.634 3.496) 4.474 89.362 ( -1.509 0.618 3.587) 3.941 89.493 ( 1.375 2.378 -6.834) 7.366 89.726 ( -0.254 -8.215 -3.170) 8.810 91.702 ( 1.751 1.141 0.435) 2.135 92.705 ( -0.458 0.850 6.859) 6.926 97.438 ( -1.242 -1.304 -0.175) 1.810 97.977 ( 4.242 4.134 2.022) 6.259 98.049 ( -0.373 0.096 0.850) 0.933 98.364 ( -2.473 1.106 2.139) 3.452 99.304 ( -0.270 -7.674 0.951) 7.737 99.463 ( 0.682 -4.108 -0.460) 4.189 99.697 ( -0.699 2.782 0.368) 2.892 99.873 ( -1.478 3.051 -9.184) 9.789 ======================= Grid point 205 (111/118) ======================= q-point: (-0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -0.919 -4.657 16.366) 17.040 3.667 ( -8.394 -5.396 -1.474) 10.087 3.890 ( -3.747 -11.743 4.214) 13.027 4.135 ( 6.616 1.539 15.780) 17.180 4.370 ( -1.259 3.487 -2.443) 4.440 4.621 ( -1.098 0.353 -1.025) 1.543 4.719 ( 2.648 -4.610 -4.496) 6.963 5.023 ( 0.272 0.873 -4.848) 4.934 5.234 ( -4.726 1.357 8.865) 10.137 5.320 ( 0.507 4.489 2.268) 5.055 5.513 ( 4.834 4.169 -4.048) 7.559 5.633 ( -8.976 3.897 2.183) 10.026 5.743 ( -1.306 -0.985 -1.822) 2.449 5.806 ( 1.933 -7.138 -2.293) 7.742 6.047 ( 11.491 2.767 4.530) 12.658 6.139 ( 1.916 6.998 -3.439) 8.029 6.309 ( 0.238 -2.332 -3.154) 3.930 6.407 ( 0.742 2.412 6.684) 7.144 6.484 ( 1.100 2.004 -2.491) 3.381 6.546 ( 0.902 0.655 -2.979) 3.180 6.773 ( -6.163 -4.423 -5.094) 9.137 6.937 ( 6.806 -9.048 13.411) 17.551 7.083 ( -2.032 2.211 0.792) 3.105 7.132 ( -1.426 2.286 -0.293) 2.711 7.270 ( -0.134 -5.589 -7.423) 9.293 7.403 ( -7.700 -5.863 -13.081) 16.272 7.857 ( -1.251 2.100 3.173) 4.005 8.181 ( -7.116 4.567 2.906) 8.941 8.225 ( 2.814 3.601 -0.776) 4.636 8.338 ( -0.214 4.743 5.891) 7.566 8.602 ( 5.902 -0.467 -2.526) 6.437 8.663 ( 1.939 -1.144 -3.438) 4.110 8.801 ( -0.690 1.867 -5.662) 6.001 9.512 ( 1.836 2.648 1.554) 3.577 9.699 ( 11.558 -0.937 10.770) 15.826 9.884 ( -10.876 3.216 -1.171) 11.402 9.961 ( -2.686 3.045 -5.007) 6.446 10.293 ( 0.899 -2.391 -0.485) 2.600 10.766 ( 2.784 -3.379 -1.108) 4.516 11.760 ( -1.511 -5.020 -0.762) 5.298 12.264 ( 4.909 -0.424 1.022) 5.032 12.288 ( 2.109 -1.120 0.263) 2.402 12.408 ( -0.210 0.758 -1.885) 2.043 12.774 ( -0.767 3.262 1.059) 3.514 12.808 ( -4.085 -0.719 -9.923) 10.755 13.512 ( 0.759 2.017 0.410) 2.194 13.716 ( 3.516 0.628 0.770) 3.654 13.834 ( -2.990 3.868 -0.882) 4.968 13.917 ( 0.260 -3.887 0.986) 4.018 15.769 ( -1.908 1.274 0.358) 2.322 16.540 ( -1.064 2.243 2.206) 3.321 16.738 ( 0.653 -3.440 1.521) 3.818 16.813 ( 0.765 -2.663 -2.300) 3.601 17.196 ( -1.836 1.291 0.829) 2.392 17.490 ( 1.047 -3.975 2.562) 4.844 18.538 ( -0.006 -5.529 0.361) 5.541 20.757 ( 0.731 -5.698 0.574) 5.773 20.833 ( -1.594 4.483 7.596) 8.963 21.054 ( -1.005 5.869 -9.638) 11.329 21.281 ( 4.155 1.470 5.640) 7.158 21.400 ( -3.736 -0.739 -1.531) 4.104 21.634 ( 3.058 2.888 -2.020) 4.666 21.879 ( 2.597 -2.658 -8.590) 9.360 22.980 ( -4.839 9.984 -3.816) 11.733 23.494 ( -1.070 0.313 1.273) 1.692 23.618 ( -1.356 -1.420 8.775) 8.992 23.983 ( 2.891 -3.562 -2.038) 5.020 25.537 ( 0.233 -2.770 9.222) 9.632 25.778 ( -1.112 4.422 -4.334) 6.291 26.125 ( -3.791 0.769 3.453) 5.185 26.262 ( 5.146 -9.260 -9.382) 14.151 26.514 ( 0.308 -0.621 -2.874) 2.956 27.156 ( 2.367 4.696 0.732) 5.310 27.210 ( -3.234 3.210 -0.582) 4.593 27.534 ( 1.362 -2.128 -2.074) 3.269 27.776 ( -0.141 -1.560 -3.250) 3.607 28.673 ( 3.308 12.308 1.742) 12.864 28.796 ( -0.672 10.519 -2.645) 10.867 28.924 ( 1.420 -0.777 -0.365) 1.660 29.414 ( -0.602 -8.501 0.175) 8.524 30.201 ( 0.603 -3.458 2.066) 4.074 30.274 ( -1.467 -2.962 -3.586) 4.877 30.697 ( -0.343 -1.032 -2.756) 2.963 31.330 ( 1.613 1.561 6.520) 6.896 31.607 ( -1.083 -0.186 -5.400) 5.510 32.416 ( 0.002 2.182 0.642) 2.274 32.938 ( -0.640 -0.344 2.472) 2.577 46.436 ( -1.099 -0.288 3.119) 3.320 46.468 ( -0.609 0.380 3.345) 3.421 47.869 ( -0.612 -0.791 1.807) 2.065 47.955 ( 1.347 0.014 -4.310) 4.516 48.092 ( 0.279 0.833 -2.085) 2.262 48.495 ( 1.058 0.621 -0.486) 1.319 48.815 ( 0.125 0.828 -0.382) 0.920 49.453 ( -0.305 -0.933 -0.352) 1.043 87.934 ( 0.791 -0.620 0.038) 1.006 87.985 ( -0.742 0.231 -1.342) 1.551 89.213 ( 0.268 1.452 4.372) 4.614 89.312 ( -3.145 3.630 1.660) 5.082 89.413 ( 0.152 2.411 -5.946) 6.418 89.910 ( 2.709 -13.611 -1.795) 13.993 91.694 ( -0.675 1.983 1.035) 2.336 92.705 ( 0.383 2.824 3.417) 4.450 97.450 ( -0.212 -2.442 0.060) 2.452 97.969 ( 0.794 6.474 0.659) 6.556 98.011 ( -0.703 2.555 1.084) 2.863 98.338 ( -0.664 -0.261 1.500) 1.661 99.437 ( 0.655 -9.578 0.122) 9.601 99.546 ( 0.637 -6.917 -0.452) 6.961 99.655 ( 0.142 4.143 3.061) 5.153 99.772 ( -1.184 1.591 -7.251) 7.517 ======================= Grid point 206 (112/118) ======================= q-point: (-0.17 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -11.095 -2.729 5.488) 12.675 3.633 ( -2.902 -6.439 15.520) 17.052 3.964 ( -9.798 -8.873 12.874) 18.452 4.278 ( 0.980 -1.203 1.663) 2.274 4.329 ( 2.524 -3.052 5.841) 7.057 4.522 ( -3.006 2.449 -10.656) 11.339 4.758 ( -2.894 0.155 -5.162) 5.920 4.984 ( 3.346 2.913 -0.808) 4.509 5.152 ( -6.302 -0.939 7.313) 9.700 5.346 ( -3.031 2.720 3.631) 5.457 5.427 ( 3.309 2.420 -4.306) 5.945 5.560 ( 1.869 0.746 -7.099) 7.378 5.711 ( -6.225 -2.587 2.891) 7.335 5.896 ( 3.096 4.756 -3.724) 6.788 6.009 ( 0.243 0.977 -0.208) 1.028 6.154 ( 0.415 2.468 -6.676) 7.129 6.341 ( 1.148 -2.180 -2.056) 3.209 6.432 ( 1.274 2.927 -10.325) 10.807 6.482 ( 7.032 -0.465 10.073) 12.294 6.569 ( 4.475 4.974 -0.514) 6.711 6.852 ( 3.995 -8.064 6.184) 10.919 7.033 ( -2.409 1.507 2.725) 3.937 7.118 ( 4.544 -1.098 1.844) 5.025 7.210 ( 0.178 -5.152 3.363) 6.155 7.270 ( 0.899 -5.913 -9.547) 11.266 7.451 ( 7.049 -3.441 5.159) 9.389 7.761 ( -6.727 3.309 3.739) 8.377 8.032 ( -5.123 2.977 3.004) 6.644 8.226 ( 5.700 5.241 2.791) 8.231 8.350 ( 3.463 2.421 1.297) 4.420 8.621 ( -1.451 -0.363 -8.070) 8.208 8.654 ( 1.562 2.347 -8.373) 8.835 8.822 ( 6.839 1.155 -0.992) 7.006 9.424 ( -11.581 -0.105 -3.152) 12.003 9.612 ( -8.192 1.839 0.800) 8.434 9.907 ( 3.225 5.115 -4.648) 7.627 10.009 ( 13.866 0.480 11.293) 17.890 10.259 ( -6.943 -2.157 -0.812) 7.316 10.760 ( -8.059 -3.647 -5.270) 10.297 11.817 ( -0.829 -5.547 2.406) 6.103 12.273 ( -3.287 -0.442 -7.497) 8.198 12.299 ( -0.731 -0.734 -1.845) 2.115 12.423 ( 2.999 0.257 -2.077) 3.657 12.692 ( -0.931 5.399 1.642) 5.720 12.850 ( 8.485 -0.750 0.935) 8.569 13.471 ( -1.798 2.188 -0.091) 2.833 13.687 ( -1.733 0.331 -2.675) 3.204 13.827 ( 5.391 3.356 2.232) 6.731 13.965 ( -2.113 -3.449 -0.088) 4.045 15.750 ( 1.028 1.672 3.361) 3.892 16.496 ( -1.171 2.438 3.065) 4.088 16.793 ( -2.112 -1.709 0.512) 2.764 16.847 ( 0.839 -5.416 -3.608) 6.561 17.171 ( -0.483 0.825 2.947) 3.098 17.545 ( -1.837 -4.208 -0.901) 4.679 18.749 ( 15.272 -6.934 0.091) 16.773 20.588 ( -24.778 3.315 5.672) 25.634 20.853 ( 0.543 -4.269 0.596) 4.345 20.893 ( -1.967 3.261 -6.131) 7.218 21.343 ( 1.022 1.724 -5.518) 5.871 21.391 ( 3.355 0.268 4.417) 5.553 21.629 ( 1.964 1.689 -2.380) 3.518 21.921 ( 4.615 0.945 -7.546) 8.896 22.871 ( 7.500 10.317 5.667) 13.958 23.493 ( -0.504 -0.426 3.009) 3.080 23.646 ( -1.462 -1.332 5.425) 5.774 24.015 ( -2.866 -4.314 -5.094) 7.265 25.605 ( -1.677 -0.461 7.725) 7.919 25.709 ( 0.519 -0.219 -4.560) 4.594 26.087 ( -2.513 -0.879 3.763) 4.610 26.376 ( 2.634 -3.217 -9.058) 9.967 26.527 ( 1.147 -1.438 -2.417) 3.037 27.100 ( -1.421 0.983 -1.415) 2.233 27.191 ( 2.187 1.760 2.811) 3.973 27.555 ( 0.337 -0.385 -3.166) 3.207 27.818 ( 4.477 -1.396 -1.132) 4.824 28.490 ( -1.725 12.751 -1.612) 12.968 28.634 ( -1.170 12.854 -3.253) 13.311 28.960 ( -0.366 -5.237 -1.479) 5.454 29.525 ( 1.323 -5.604 0.245) 5.763 30.272 ( 0.593 -3.434 2.224) 4.134 30.291 ( 1.305 -1.622 -1.402) 2.510 30.713 ( 1.170 -1.409 -0.568) 1.918 31.351 ( 1.666 2.403 -0.038) 2.925 31.571 ( -1.696 -0.529 -0.123) 1.781 32.372 ( -1.532 2.398 0.361) 2.868 32.937 ( -1.331 -0.352 2.214) 2.607 46.434 ( -0.779 0.388 3.174) 3.291 46.469 ( -0.992 -0.246 3.183) 3.344 47.878 ( -0.613 -0.828 1.497) 1.817 47.960 ( 1.369 -0.166 -4.046) 4.274 48.076 ( 0.475 0.993 -1.548) 1.900 48.486 ( -0.230 0.912 -1.781) 2.015 48.804 ( 0.219 0.877 -0.364) 0.975 49.468 ( 0.408 -1.057 0.148) 1.142 87.938 ( -0.719 -0.115 -1.353) 1.536 87.987 ( 1.222 -0.488 0.275) 1.344 89.213 ( -2.521 2.341 -0.920) 3.561 89.245 ( 2.196 2.247 7.478) 8.112 89.384 ( 0.699 1.087 -2.463) 2.781 90.086 ( -0.742 -12.855 -6.461) 14.407 91.647 ( -2.279 1.928 1.766) 3.468 92.682 ( 0.680 3.953 2.820) 4.903 97.492 ( 0.618 -3.125 0.414) 3.213 97.853 ( -2.917 6.163 -0.154) 6.821 97.999 ( 2.038 3.102 1.221) 3.908 98.356 ( 0.185 -1.321 1.895) 2.318 99.493 ( -0.251 1.783 -0.015) 1.801 99.585 ( 0.119 6.194 -0.639) 6.228 99.652 ( -0.163 -6.880 -0.498) 6.900 99.806 ( 0.318 -10.974 -2.849) 11.343 ======================= Grid point 210 (113/118) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -4.342 0.000 15.711) 16.300 3.614 ( -4.432 0.000 5.483) 7.051 3.675 ( -6.223 0.000 -4.650) 7.768 4.140 ( 7.782 -0.000 7.002) 10.468 4.545 ( 8.806 -0.000 13.882) 16.439 4.570 ( -6.194 0.000 -13.251) 14.627 4.633 ( -2.919 0.000 2.272) 3.699 5.006 ( 1.937 -0.000 -0.257) 1.954 5.255 ( -6.464 0.000 13.444) 14.917 5.420 ( -1.292 0.000 -3.955) 4.160 5.570 ( 4.154 -0.000 -3.146) 5.211 5.632 ( -4.157 0.000 -5.543) 6.929 5.740 ( -2.519 0.000 -0.922) 2.682 5.769 ( -1.756 0.000 0.407) 1.802 6.011 ( 13.073 -0.000 1.475) 13.156 6.245 ( -0.889 0.000 -4.138) 4.232 6.317 ( 4.270 -0.000 3.000) 5.219 6.438 ( 4.079 -0.000 7.689) 8.704 6.487 ( -2.716 0.000 5.292) 5.948 6.642 ( 7.561 -0.000 -5.726) 9.485 6.719 ( 5.869 -0.000 7.801) 9.762 6.746 ( -8.274 0.000 -13.765) 16.060 7.105 ( -5.403 0.000 -4.630) 7.115 7.167 ( -0.686 0.000 0.104) 0.694 7.192 ( -4.166 0.000 -4.193) 5.911 7.316 ( -3.202 0.000 -6.977) 7.676 7.887 ( -1.425 0.000 1.936) 2.403 8.243 ( -5.356 0.000 0.562) 5.386 8.260 ( 1.395 -0.000 -0.658) 1.543 8.394 ( -2.852 0.000 13.970) 14.258 8.622 ( 4.739 -0.000 -0.474) 4.763 8.641 ( 4.626 -0.000 -9.216) 10.312 8.824 ( -0.908 0.000 -2.942) 3.079 9.593 ( -0.715 0.000 -0.350) 0.797 9.650 ( 14.418 -0.000 10.956) 18.108 9.921 ( -15.565 0.000 -5.670) 16.566 10.013 ( 1.911 -0.000 0.312) 1.936 10.258 ( 2.115 -0.000 -0.235) 2.128 10.722 ( 2.417 -0.000 -1.745) 2.980 11.685 ( -1.785 0.000 -2.251) 2.873 12.255 ( 2.526 -0.000 -1.430) 2.903 12.274 ( 4.379 -0.000 2.265) 4.930 12.422 ( -0.279 0.000 -0.832) 0.878 12.797 ( -5.299 0.000 -10.085) 11.392 12.812 ( 0.674 -0.000 1.972) 2.084 13.539 ( 1.101 -0.000 -0.959) 1.460 13.727 ( 3.855 -0.000 4.469) 5.902 13.861 ( 0.329 -0.000 -1.308) 1.349 13.896 ( -2.842 0.000 -0.288) 2.856 15.786 ( -1.814 0.000 0.334) 1.844 16.563 ( 0.614 -0.000 5.637) 5.671 16.713 ( -2.381 0.000 -6.937) 7.334 16.757 ( 1.531 -0.000 1.055) 1.859 17.217 ( -2.249 0.000 1.500) 2.703 17.436 ( 0.841 -0.000 2.804) 2.927 18.457 ( -0.041 0.000 0.328) 0.331 20.679 ( 0.704 -0.000 0.187) 0.728 20.903 ( -1.488 0.000 4.244) 4.497 21.189 ( 0.546 -0.000 3.311) 3.356 21.266 ( -2.631 0.000 -0.645) 2.709 21.375 ( -0.766 0.000 -7.403) 7.443 21.669 ( 4.670 -0.000 0.782) 4.735 21.834 ( 3.186 -0.000 -8.847) 9.403 23.122 ( -5.487 0.000 -4.114) 6.858 23.508 ( -0.213 0.000 -0.671) 0.704 23.592 ( -2.369 0.000 11.075) 11.325 23.929 ( 3.289 -0.000 -2.543) 4.158 25.499 ( 0.184 -0.000 9.757) 9.759 25.928 ( -2.452 0.000 -0.294) 2.470 25.967 ( -2.125 0.000 -11.094) 11.296 26.204 ( 4.150 -0.000 0.460) 4.175 26.506 ( 0.017 -0.000 -3.266) 3.266 27.217 ( 0.562 -0.000 3.310) 3.358 27.299 ( -1.484 0.000 -2.979) 3.328 27.478 ( 1.483 -0.000 -2.877) 3.237 27.754 ( 0.337 -0.000 -2.444) 2.467 28.803 ( 4.737 -0.000 7.033) 8.479 28.966 ( 4.181 -0.000 0.066) 4.182 29.029 ( -4.115 0.000 -8.332) 9.292 29.205 ( -0.860 0.000 1.089) 1.388 30.148 ( 0.455 -0.000 -0.014) 0.455 30.228 ( -1.297 0.000 -1.402) 1.911 30.683 ( -0.309 0.000 -3.545) 3.558 31.350 ( 1.516 -0.000 7.944) 8.087 31.605 ( -0.925 0.000 -6.500) 6.565 32.447 ( 0.163 -0.000 0.843) 0.859 32.933 ( -0.701 0.000 2.726) 2.815 46.425 ( -1.352 0.000 2.895) 3.196 46.481 ( -0.316 0.000 3.587) 3.601 47.859 ( -0.640 0.000 1.943) 2.046 47.956 ( 1.344 -0.000 -4.492) 4.689 48.102 ( 0.273 -0.000 -2.284) 2.300 48.504 ( 1.216 -0.000 -0.275) 1.247 48.828 ( 0.246 -0.000 -0.139) 0.282 49.439 ( -0.443 0.000 -0.533) 0.694 87.925 ( 0.595 -0.000 0.372) 0.702 87.987 ( -0.728 0.000 -1.789) 1.931 89.232 ( -1.201 0.000 2.329) 2.620 89.357 ( -1.901 0.000 3.901) 4.340 89.577 ( 3.372 -0.000 -4.557) 5.669 89.595 ( -1.159 0.000 -2.999) 3.216 91.722 ( -0.799 0.000 0.939) 1.233 92.749 ( 1.653 -0.000 3.655) 4.011 97.417 ( -0.181 0.000 0.064) 0.192 98.044 ( -0.608 0.000 1.059) 1.221 98.066 ( 0.945 -0.000 0.950) 1.340 98.354 ( -0.406 0.000 2.051) 2.091 99.252 ( 0.538 -0.000 -0.162) 0.562 99.438 ( 0.140 -0.000 -0.567) 0.584 99.717 ( 0.087 -0.000 2.610) 2.611 99.824 ( -1.754 0.000 -7.547) 7.748 ======================= Grid point 211 (114/118) ======================= q-point: (-0.33 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -5.715 -5.406 13.096) 15.277 3.520 ( -6.172 1.601 10.147) 11.984 3.690 ( -5.779 -9.937 10.533) 15.591 4.256 ( -0.010 -1.011 -11.047) 11.094 4.390 ( 0.480 6.818 7.212) 9.936 4.551 ( -5.790 -1.722 -2.410) 6.503 4.747 ( 5.011 -2.094 2.336) 5.912 4.982 ( -3.306 2.571 2.970) 5.135 5.213 ( -4.352 -1.039 6.666) 8.029 5.356 ( -3.574 -1.065 0.902) 3.837 5.514 ( -2.367 2.166 -6.945) 7.650 5.617 ( 4.967 3.915 -6.979) 9.418 5.657 ( -4.526 1.974 3.552) 6.082 5.820 ( 1.739 -6.387 2.308) 7.010 6.197 ( 5.678 3.567 -10.939) 12.831 6.227 ( -0.506 0.502 -2.366) 2.471 6.289 ( -1.083 4.493 -3.343) 5.704 6.471 ( -6.080 0.308 -6.771) 9.105 6.517 ( 6.969 1.600 6.155) 9.435 6.620 ( 7.460 -1.151 -1.020) 7.617 6.745 ( 5.136 1.743 1.486) 5.624 6.898 ( 1.727 -10.648 -7.641) 13.219 7.090 ( 3.392 -1.121 7.596) 8.395 7.149 ( -1.896 1.070 -0.472) 2.228 7.220 ( 8.509 0.476 4.158) 9.482 7.353 ( 7.140 -3.163 2.728) 8.272 7.827 ( -5.591 1.595 3.702) 6.892 8.084 ( -10.684 0.894 0.465) 10.731 8.290 ( 1.264 0.711 2.834) 3.184 8.413 ( -1.627 0.719 8.769) 8.947 8.644 ( 3.419 2.439 -9.439) 10.331 8.703 ( 5.749 0.734 -6.775) 8.916 8.841 ( 4.334 0.238 0.569) 4.378 9.483 ( -14.099 4.142 -6.478) 16.059 9.608 ( -6.060 -2.378 -1.958) 6.798 10.006 ( 11.547 0.524 12.112) 16.743 10.029 ( 4.165 2.211 -1.302) 4.892 10.211 ( -6.803 -1.097 -3.610) 7.779 10.691 ( -5.820 -1.484 -4.825) 7.704 11.690 ( -0.081 -3.218 1.631) 3.609 12.263 ( -0.966 -0.187 -5.325) 5.415 12.283 ( -1.548 -0.489 -4.355) 4.648 12.433 ( 1.787 0.383 -1.015) 2.090 12.791 ( 1.419 2.290 1.599) 3.133 12.830 ( 6.908 -0.988 1.824) 7.212 13.511 ( -2.533 0.830 -1.636) 3.128 13.688 ( -5.891 -0.230 -2.884) 6.563 13.885 ( 2.293 -0.192 -0.982) 2.502 13.936 ( 5.301 1.737 2.726) 6.209 15.784 ( 1.108 0.726 3.076) 3.349 16.565 ( -1.661 2.206 3.321) 4.319 16.697 ( 0.928 -3.412 -0.718) 3.608 16.763 ( -2.194 -1.770 -2.401) 3.703 17.196 ( -1.104 0.777 4.110) 4.326 17.462 ( -0.282 -1.768 0.063) 1.791 18.600 ( 14.001 -3.599 0.354) 14.461 20.662 ( -24.144 1.864 4.343) 24.602 20.709 ( 0.267 -3.305 -1.036) 3.474 21.108 ( -0.729 9.723 -0.911) 9.793 21.329 ( 0.771 -5.509 4.065) 6.890 21.350 ( -0.044 -0.744 -4.117) 4.184 21.695 ( 1.537 2.190 -5.007) 5.677 21.908 ( 7.790 -0.959 -8.686) 11.706 23.084 ( 4.349 4.910 6.659) 9.347 23.509 ( 1.046 1.377 1.017) 2.006 23.603 ( -2.964 -1.728 8.347) 9.024 23.919 ( -3.648 -2.409 -6.162) 7.555 25.569 ( 2.264 -1.168 6.393) 6.882 25.780 ( -4.397 5.062 -1.569) 6.886 25.965 ( -6.007 -7.591 0.181) 9.682 26.309 ( 8.145 -0.806 -5.595) 9.914 26.500 ( 0.344 -0.561 -1.934) 2.043 27.199 ( -2.697 2.891 -0.303) 3.965 27.255 ( 1.539 3.398 1.835) 4.157 27.507 ( 1.098 -2.525 -3.700) 4.612 27.788 ( 4.352 -0.730 -1.761) 4.751 28.792 ( -6.627 6.151 -7.057) 11.470 28.884 ( -3.013 1.035 0.427) 3.214 28.913 ( 0.157 8.257 -0.304) 8.264 29.339 ( 4.849 -7.786 0.402) 9.182 30.173 ( 0.480 -2.613 -0.658) 2.737 30.257 ( 3.665 -1.040 1.309) 4.028 30.686 ( 1.483 -0.620 -1.223) 2.020 31.400 ( 1.748 1.112 1.844) 2.774 31.558 ( -1.793 -0.339 -2.025) 2.726 32.424 ( -1.957 1.268 0.130) 2.335 32.930 ( -1.269 -0.144 2.628) 2.922 46.418 ( -1.816 -0.672 3.751) 4.221 46.489 ( 0.106 0.747 2.483) 2.596 47.861 ( -0.436 -0.391 1.890) 1.978 47.959 ( 1.494 0.044 -4.411) 4.657 48.093 ( 0.008 0.273 -1.666) 1.689 48.506 ( 0.009 0.486 -2.058) 2.115 48.825 ( 0.090 0.552 -0.467) 0.728 49.444 ( 0.492 -0.606 0.375) 0.865 87.931 ( -0.153 -0.268 -0.994) 1.041 87.978 ( 0.205 -0.149 0.345) 0.428 89.240 ( 0.769 0.390 2.985) 3.107 89.328 ( -2.579 1.795 5.227) 6.099 89.467 ( 1.641 7.231 -3.750) 8.309 89.740 ( 0.187 -12.986 -4.106) 13.621 91.688 ( -2.955 0.970 1.832) 3.610 92.778 ( 2.541 2.548 -0.206) 3.605 97.433 ( 0.882 -1.267 0.357) 1.585 97.999 ( -3.417 4.298 0.109) 5.492 98.050 ( -0.481 0.266 0.614) 0.824 98.370 ( 2.218 1.786 1.638) 3.285 99.324 ( 1.291 -8.307 -0.992) 8.465 99.466 ( -0.262 -4.688 -0.739) 4.753 99.725 ( 0.677 2.231 4.798) 5.334 99.753 ( -1.075 2.731 -4.836) 5.657 ======================= Grid point 212 (115/118) ======================= q-point: (-0.17 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -7.714 -1.078 13.390) 15.491 3.542 ( -9.021 -5.104 22.459) 24.735 3.767 ( -4.728 -8.952 9.704) 14.023 4.144 ( -3.378 -2.601 -10.280) 11.129 4.377 ( -2.331 -1.170 -9.370) 9.726 4.554 ( 3.491 3.191 16.734) 17.390 4.766 ( 3.806 5.662 -7.831) 10.386 4.995 ( -0.446 -4.764 6.597) 8.150 5.139 ( -2.032 4.743 -0.941) 5.245 5.287 ( -7.151 0.771 3.936) 8.199 5.507 ( 5.509 -0.058 -9.264) 10.779 5.567 ( -1.327 -0.174 -4.721) 4.907 5.633 ( 1.589 1.656 -1.859) 2.953 5.924 ( -1.494 -2.072 -2.283) 3.426 6.011 ( -1.885 4.555 -8.694) 9.994 6.157 ( -1.625 4.455 1.403) 4.945 6.323 ( 2.010 -2.070 0.794) 2.992 6.374 ( -3.154 -2.194 -5.611) 6.801 6.596 ( 2.218 -0.910 -0.655) 2.486 6.727 ( 2.082 6.114 0.268) 6.465 6.906 ( 10.625 -7.842 3.742) 13.725 6.985 ( 1.986 -3.714 -3.873) 5.722 7.077 ( -3.705 0.572 -0.870) 3.848 7.194 ( 2.808 0.598 3.581) 4.589 7.386 ( 6.941 1.457 0.762) 7.133 7.650 ( 13.848 -0.942 11.988) 18.341 7.753 ( 0.999 0.352 6.208) 6.297 7.933 ( -7.669 -2.851 3.744) 8.997 8.299 ( -1.648 0.767 1.496) 2.354 8.374 ( -5.067 -1.005 -0.693) 5.212 8.641 ( 7.192 5.040 -6.426) 10.882 8.729 ( 6.159 2.845 -9.168) 11.406 8.935 ( 5.209 0.693 1.272) 5.407 9.124 ( -18.659 0.469 -6.811) 19.869 9.581 ( -0.778 0.099 2.732) 2.842 10.005 ( 2.657 4.295 -4.169) 6.549 10.061 ( -9.734 -2.292 -7.036) 12.228 10.256 ( 8.458 -0.429 10.635) 13.595 10.537 ( -9.956 -0.833 -5.088) 11.212 11.766 ( 1.129 -4.291 4.087) 6.032 12.182 ( -2.922 0.639 -7.053) 7.662 12.254 ( -1.753 -1.009 -3.428) 3.980 12.455 ( 2.294 0.042 -3.062) 3.826 12.741 ( -1.442 3.079 -0.335) 3.416 13.053 ( 12.376 1.000 7.269) 14.388 13.453 ( -2.088 0.466 -0.769) 2.274 13.602 ( -3.946 -3.241 -3.140) 5.995 13.907 ( 0.382 0.371 -2.550) 2.605 13.980 ( 3.310 3.745 1.284) 5.161 15.824 ( 2.746 1.145 4.429) 5.336 16.526 ( -1.210 1.911 4.136) 4.714 16.712 ( -4.076 -1.246 -3.014) 5.220 16.779 ( 1.523 -4.997 -1.226) 5.366 17.201 ( 0.206 0.823 5.879) 5.940 17.463 ( -1.930 -2.068 -2.615) 3.853 18.998 ( 24.807 -6.540 0.751) 25.666 20.167 ( -31.648 3.694 3.000) 32.004 20.773 ( 0.846 -6.192 -2.028) 6.570 20.963 ( -1.122 9.394 -0.177) 9.463 21.334 ( -0.096 -0.396 -5.095) 5.111 21.408 ( -0.505 -2.640 4.949) 5.632 21.662 ( 0.820 1.663 -4.274) 4.659 21.979 ( 4.811 0.450 -8.054) 9.392 23.191 ( 10.747 6.286 13.231) 18.167 23.510 ( -0.386 0.938 3.311) 3.463 23.620 ( -1.261 -1.843 4.309) 4.853 23.829 ( -7.782 -4.494 -9.466) 13.052 25.613 ( -2.603 1.985 6.464) 7.246 25.689 ( 1.117 -0.821 -6.354) 6.504 25.983 ( -5.154 -7.006 8.950) 12.480 26.400 ( 6.125 0.679 -9.678) 11.474 26.515 ( 0.893 -1.464 -1.601) 2.346 27.105 ( -1.499 4.178 -0.825) 4.515 27.261 ( 1.130 1.534 3.025) 3.575 27.526 ( 0.162 -1.422 -4.490) 4.712 27.903 ( 7.747 -1.973 0.218) 7.998 28.553 ( -6.066 8.155 -5.036) 11.343 28.682 ( -7.737 5.572 -7.522) 12.144 28.914 ( 1.460 1.384 3.168) 3.753 29.492 ( 2.847 -5.329 -0.767) 6.090 30.208 ( -0.203 -2.747 -1.398) 3.089 30.369 ( 6.093 -0.554 3.492) 7.044 30.728 ( 2.363 -0.864 -0.077) 2.517 31.363 ( -1.994 1.722 -7.306) 7.766 31.567 ( 0.686 -0.442 5.984) 6.039 32.367 ( -2.049 1.531 -0.489) 2.604 32.921 ( -1.377 -0.126 2.667) 3.004 46.417 ( -1.936 -1.186 4.434) 4.981 46.487 ( 0.175 1.317 1.702) 2.159 47.870 ( -0.239 -0.439 1.611) 1.687 47.962 ( 1.248 0.066 -4.091) 4.278 48.084 ( 0.209 0.163 -1.347) 1.373 48.477 ( -0.771 0.843 -2.577) 2.819 48.816 ( 0.120 0.625 -0.543) 0.837 49.468 ( 0.813 -0.745 0.539) 1.228 87.921 ( -0.431 -0.022 -1.342) 1.410 87.998 ( 0.796 -0.786 0.852) 1.406 89.211 ( -1.818 3.342 0.087) 3.805 89.333 ( 0.595 -0.062 7.083) 7.108 89.437 ( 4.066 3.474 -0.387) 5.362 89.860 ( -2.356 -11.384 -6.376) 13.259 91.632 ( -2.895 0.996 2.311) 3.836 92.764 ( 1.544 4.252 -0.951) 4.623 97.479 ( 1.582 -2.084 0.664) 2.699 97.866 ( -3.870 5.065 -0.643) 6.407 98.047 ( -0.215 0.101 0.928) 0.958 98.386 ( 1.771 2.063 1.382) 3.050 99.455 ( 0.818 -8.078 -1.643) 8.284 99.527 ( -0.960 -6.301 -1.578) 6.567 99.680 ( 0.032 4.897 -1.223) 5.047 99.740 ( 1.426 0.323 3.601) 3.887 ======================= Grid point 217 (116/118) ======================= q-point: (-0.33 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( -4.446 0.000 18.397) 18.927 3.454 ( -11.302 0.000 22.694) 25.352 3.618 ( -1.412 0.000 8.751) 8.864 4.127 ( -4.512 0.000 -12.077) 12.893 4.363 ( -5.914 0.000 -6.116) 8.508 4.603 ( 8.961 -0.000 8.523) 12.367 4.825 ( 4.639 -0.000 1.734) 4.953 5.013 ( 0.515 -0.000 -3.030) 3.074 5.127 ( -5.508 0.000 13.047) 14.162 5.273 ( -3.573 0.000 -4.696) 5.901 5.504 ( 2.278 -0.000 -10.978) 11.212 5.600 ( -5.708 0.000 0.877) 5.775 5.719 ( 5.200 -0.000 -11.732) 12.832 5.776 ( 0.722 -0.000 5.519) 5.566 6.217 ( -1.381 0.000 -3.976) 4.209 6.233 ( -4.892 0.000 -12.466) 13.391 6.244 ( 0.176 -0.000 -2.530) 2.536 6.328 ( -5.105 0.000 1.133) 5.229 6.576 ( -0.249 0.000 -3.204) 3.213 6.774 ( 7.955 -0.000 6.677) 10.386 6.777 ( 5.968 -0.000 -1.309) 6.110 6.952 ( 8.538 -0.000 -4.963) 9.875 7.108 ( -3.906 0.000 1.005) 4.034 7.194 ( 4.178 -0.000 2.167) 4.707 7.465 ( 11.344 -0.000 6.970) 13.315 7.538 ( 13.359 -0.000 11.535) 17.650 7.794 ( 0.316 -0.000 6.107) 6.115 7.891 ( -12.028 0.000 1.977) 12.190 8.327 ( 0.952 -0.000 2.310) 2.499 8.331 ( -9.175 0.000 -1.588) 9.311 8.738 ( 2.934 -0.000 -8.957) 9.426 8.749 ( 8.683 -0.000 -2.727) 9.101 8.946 ( 6.110 -0.000 1.584) 6.312 9.147 ( -19.697 0.000 -9.869) 22.031 9.573 ( -0.487 0.000 2.033) 2.091 10.017 ( -9.806 0.000 -3.822) 10.525 10.083 ( 2.354 -0.000 -9.255) 9.550 10.245 ( 7.778 -0.000 11.565) 13.937 10.527 ( -8.427 0.000 -4.674) 9.637 11.702 ( 2.254 -0.000 4.851) 5.349 12.207 ( -2.539 0.000 -5.514) 6.071 12.221 ( -1.659 0.000 -5.776) 6.010 12.458 ( 1.676 -0.000 -1.376) 2.168 12.777 ( -2.233 0.000 -2.617) 3.440 13.070 ( 14.687 -0.000 8.709) 17.075 13.455 ( -3.276 0.000 -1.555) 3.626 13.560 ( -5.717 0.000 -3.648) 6.782 13.913 ( 1.869 -0.000 -3.115) 3.633 14.041 ( 3.631 -0.000 0.546) 3.671 15.839 ( 2.453 -0.000 4.009) 4.700 16.551 ( -2.344 0.000 0.841) 2.490 16.687 ( -3.510 0.000 -2.870) 4.534 16.712 ( 2.337 -0.000 3.844) 4.499 17.215 ( -0.288 0.000 6.628) 6.634 17.435 ( -1.170 0.000 -1.947) 2.272 18.905 ( 24.860 -0.000 1.036) 24.882 20.218 ( -31.215 0.000 3.699) 31.433 20.689 ( 0.723 -0.000 -1.818) 1.957 21.206 ( -0.591 0.000 -2.319) 2.393 21.228 ( -3.057 0.000 2.539) 3.974 21.358 ( 1.414 -0.000 1.919) 2.384 21.692 ( 0.026 -0.000 -6.555) 6.555 21.980 ( 5.716 -0.000 -9.359) 10.966 23.275 ( 7.765 -0.000 14.602) 16.538 23.540 ( -7.670 0.000 7.866) 10.986 23.580 ( 5.445 -0.000 -0.074) 5.445 23.766 ( -7.256 0.000 -9.285) 11.784 25.630 ( 4.097 -0.000 -2.083) 4.596 25.727 ( -7.276 0.000 3.518) 8.082 25.836 ( -3.615 0.000 7.470) 8.299 26.407 ( 7.446 -0.000 -7.878) 10.840 26.496 ( 0.424 -0.000 -0.786) 0.893 27.185 ( -1.603 0.000 0.731) 1.762 27.293 ( -0.513 0.000 2.007) 2.072 27.489 ( 1.259 -0.000 -4.948) 5.106 27.873 ( 7.044 -0.000 -1.411) 7.184 28.673 ( -7.477 0.000 -8.440) 11.275 28.702 ( -11.835 0.000 -7.155) 13.830 29.035 ( 1.131 -0.000 6.227) 6.329 29.370 ( 5.190 -0.000 -1.992) 5.559 30.167 ( 1.281 -0.000 -0.564) 1.399 30.359 ( 7.477 -0.000 2.585) 7.911 30.716 ( 2.559 -0.000 0.091) 2.560 31.387 ( -2.608 0.000 -8.155) 8.562 31.559 ( 1.071 -0.000 6.494) 6.582 32.389 ( -2.669 0.000 -0.955) 2.834 32.920 ( -1.272 0.000 2.798) 3.073 46.400 ( -2.053 0.000 4.503) 4.948 46.507 ( 0.327 -0.000 1.481) 1.517 47.863 ( -0.044 0.000 1.727) 1.727 47.965 ( 1.445 -0.000 -4.164) 4.407 48.084 ( -0.347 0.000 -1.274) 1.320 48.490 ( -0.670 0.000 -3.037) 3.110 48.825 ( -0.138 0.000 -0.839) 0.850 49.457 ( 1.043 -0.000 0.903) 1.380 87.919 ( -0.264 0.000 -1.358) 1.383 87.987 ( 0.380 -0.000 1.415) 1.465 89.291 ( 2.509 -0.000 2.215) 3.347 89.307 ( -3.663 0.000 4.821) 6.054 89.540 ( -0.937 0.000 -8.917) 8.966 89.636 ( 3.845 -0.000 4.651) 6.034 91.646 ( -3.734 0.000 2.455) 4.469 92.829 ( 2.452 -0.000 -4.429) 5.062 97.450 ( 1.872 -0.000 0.632) 1.976 97.963 ( -5.041 0.000 -1.878) 5.379 98.021 ( -1.610 0.000 1.724) 2.359 98.435 ( 2.652 -0.000 0.288) 2.667 99.291 ( 2.092 -0.000 -1.356) 2.493 99.424 ( -0.594 0.000 -0.483) 0.766 99.741 ( 0.292 -0.000 -2.187) 2.207 99.791 ( 1.447 -0.000 6.840) 6.991 ======================= Grid point 218 (117/118) ======================= q-point: (-0.17 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( -3.912 1.466 24.042) 24.403 3.471 ( -5.642 -2.928 27.690) 28.410 3.659 ( -1.314 -5.668 3.725) 6.909 4.064 ( 0.678 -0.587 -2.090) 2.274 4.305 ( 1.655 -0.861 -7.011) 7.255 4.751 ( 7.786 3.999 3.796) 9.541 4.906 ( 6.857 4.139 -6.539) 10.340 4.974 ( -0.726 0.495 2.956) 3.084 5.132 ( -1.361 -0.024 0.559) 1.471 5.199 ( -4.902 -1.553 3.329) 6.125 5.489 ( 1.572 -1.256 -10.468) 10.660 5.518 ( -2.802 -0.858 -4.178) 5.103 5.696 ( 2.479 2.726 -9.328) 10.029 5.834 ( -1.591 -3.057 0.409) 3.470 6.021 ( -2.680 7.562 -5.346) 9.641 6.200 ( -2.413 3.941 6.192) 7.726 6.230 ( -3.750 -7.103 -4.174) 9.051 6.312 ( -0.835 -3.779 2.191) 4.448 6.597 ( 3.298 0.135 -3.065) 4.505 6.815 ( 0.910 4.312 0.336) 4.419 6.969 ( 2.868 -5.545 4.947) 7.966 7.014 ( 0.106 -1.085 1.359) 1.743 7.076 ( 5.890 3.260 -1.052) 6.813 7.236 ( 1.340 -0.201 -2.596) 2.928 7.468 ( -5.022 7.097 3.274) 9.290 7.746 ( -5.961 -4.320 4.948) 8.870 7.837 ( 5.003 -5.055 9.748) 12.067 7.952 ( 8.361 0.068 1.975) 8.592 8.168 ( -3.313 -0.118 -2.868) 4.384 8.344 ( 0.384 -0.458 -0.402) 0.721 8.708 ( -0.672 1.365 -12.674) 12.765 8.775 ( -17.011 -0.845 -3.064) 17.305 8.905 ( 10.225 3.256 -2.815) 11.094 9.012 ( 1.656 0.622 -1.249) 2.165 9.591 ( -0.291 -0.547 5.181) 5.218 9.838 ( -7.475 -1.433 -6.771) 10.187 10.087 ( 4.559 2.761 -4.303) 6.850 10.361 ( 0.067 -1.032 7.046) 7.122 10.430 ( 0.506 0.441 -3.457) 3.521 11.793 ( 3.505 -1.444 6.063) 7.151 12.136 ( -1.179 1.687 -4.063) 4.555 12.194 ( -0.790 -2.023 -3.075) 3.765 12.472 ( 0.882 0.079 -1.994) 2.182 12.716 ( -2.465 0.241 -4.278) 4.943 13.249 ( 1.675 1.011 0.510) 2.022 13.406 ( -2.100 -0.006 -1.129) 2.385 13.566 ( 7.705 -1.681 4.262) 8.964 13.898 ( -0.972 1.005 -4.923) 5.118 14.045 ( -0.556 2.208 -2.766) 3.582 15.880 ( 0.462 0.152 1.681) 1.749 16.524 ( -1.575 -0.651 1.413) 2.214 16.639 ( -1.057 -0.368 -0.876) 1.421 16.780 ( 2.274 -0.899 4.069) 4.748 17.241 ( -0.243 0.285 6.013) 6.025 17.412 ( -0.611 -0.431 -0.997) 1.246 19.406 ( 30.157 -2.810 2.191) 30.367 19.698 ( -30.009 1.830 3.401) 30.257 20.721 ( 1.680 -3.300 -2.126) 4.270 21.066 ( -1.696 9.463 0.673) 9.638 21.265 ( -2.315 -4.598 -1.786) 5.449 21.402 ( 0.491 -1.274 4.204) 4.420 21.655 ( -0.639 0.360 -4.524) 4.583 22.005 ( 2.912 0.014 -9.896) 10.315 23.388 ( -14.507 -3.560 -0.435) 14.944 23.443 ( 4.453 1.325 15.416) 16.100 23.639 ( -3.529 -0.291 -4.287) 5.561 23.703 ( 8.858 1.322 0.645) 8.979 25.621 ( -4.091 3.047 6.730) 8.445 25.675 ( 2.855 -1.138 -8.617) 9.149 25.880 ( -3.061 -5.591 14.674) 15.998 26.468 ( 5.505 1.177 -10.176) 11.630 26.509 ( 0.964 -0.926 -1.021) 1.682 27.146 ( -0.234 4.236 1.001) 4.359 27.279 ( -1.580 0.130 1.834) 2.425 27.493 ( 0.783 -1.296 -5.094) 5.314 28.000 ( 6.858 -2.116 -1.289) 7.291 28.448 ( -10.729 2.444 -7.225) 13.163 28.524 ( -6.645 -1.488 -7.876) 10.412 29.021 ( 0.195 6.031 4.970) 7.817 29.469 ( 2.916 -4.418 -1.091) 5.405 30.202 ( 2.125 -0.420 0.447) 2.211 30.481 ( 5.283 0.613 0.066) 5.319 30.759 ( 2.063 -0.358 -0.244) 2.108 31.283 ( -4.652 0.347 -4.948) 6.800 31.614 ( 1.960 -0.064 3.406) 3.931 32.344 ( -1.246 0.309 -1.498) 1.973 32.917 ( -0.570 0.043 2.810) 2.867 46.393 ( -1.901 -0.778 4.947) 5.357 46.511 ( 0.146 0.843 1.010) 1.324 47.874 ( 0.300 -0.104 1.428) 1.463 47.966 ( 1.055 0.305 -3.736) 3.894 48.074 ( -0.346 -0.449 -1.290) 1.409 48.463 ( -0.367 0.459 -2.510) 2.577 48.816 ( -0.225 0.109 -1.025) 1.055 49.479 ( 0.747 -0.183 0.651) 1.008 87.913 ( 0.175 0.019 -1.070) 1.084 88.001 ( 0.060 -0.557 1.227) 1.349 89.227 ( -2.899 3.862 1.647) 5.102 89.339 ( -0.342 -1.420 1.092) 1.824 89.497 ( 0.146 -2.077 -7.286) 7.578 89.782 ( 6.593 -1.457 7.741) 10.271 91.603 ( -2.428 -0.083 2.532) 3.509 92.812 ( 0.310 2.506 -5.391) 5.953 97.497 ( 2.412 -0.881 0.849) 2.705 97.845 ( -4.446 2.979 -1.678) 5.609 98.012 ( -2.192 -1.930 1.190) 3.154 98.449 ( 1.114 2.430 -0.550) 2.729 99.363 ( 1.626 -6.045 -1.555) 6.450 99.441 ( -0.476 -4.210 -0.850) 4.322 99.731 ( 1.094 2.724 -0.315) 2.952 99.840 ( 2.965 3.415 6.906) 8.255 ======================= Grid point 224 (118/118) ======================= q-point: (-0.17 -0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 0.177 -0.000 18.933) 18.934 3.562 ( 3.609 -0.000 34.543) 34.731 3.628 ( -0.226 0.000 7.449) 7.452 4.117 ( 4.702 -0.000 2.112) 5.155 4.345 ( 6.487 -0.000 -5.601) 8.571 4.867 ( 3.778 -0.000 -16.313) 16.744 4.975 ( 5.160 -0.000 -10.272) 11.495 5.025 ( -1.874 0.000 5.805) 6.100 5.132 ( 3.555 -0.000 -8.976) 9.654 5.147 ( -0.939 0.000 16.215) 16.242 5.431 ( -3.849 0.000 -0.844) 3.940 5.464 ( 1.712 -0.000 -9.379) 9.534 5.659 ( -2.229 0.000 -8.908) 9.182 5.805 ( -2.340 0.000 4.391) 4.975 6.056 ( -2.873 0.000 1.104) 3.077 6.086 ( -0.803 0.000 -0.439) 0.915 6.229 ( -3.467 0.000 9.811) 10.406 6.268 ( 1.528 -0.000 -0.704) 1.683 6.627 ( 0.256 -0.000 -9.069) 9.073 6.846 ( -2.558 0.000 0.406) 2.590 6.900 ( -4.727 0.000 1.550) 4.974 7.087 ( 3.010 -0.000 10.562) 10.982 7.194 ( 4.577 -0.000 -3.264) 5.621 7.225 ( 1.037 -0.000 -1.380) 1.726 7.462 ( -3.299 0.000 4.991) 5.983 7.604 ( -8.107 0.000 4.968) 9.508 7.816 ( -8.779 0.000 -16.076) 18.317 7.908 ( 3.864 -0.000 6.387) 7.465 8.349 ( 1.422 -0.000 -1.924) 2.392 8.351 ( 5.666 -0.000 9.401) 10.977 8.483 ( -7.482 0.000 -7.394) 10.519 8.567 ( -8.445 0.000 -15.057) 17.264 8.992 ( -2.727 0.000 -4.982) 5.679 9.122 ( 12.344 -0.000 3.871) 12.937 9.576 ( -3.874 0.000 4.971) 6.303 9.747 ( -0.294 0.000 -3.183) 3.197 10.231 ( 10.591 -0.000 -1.430) 10.687 10.302 ( -8.418 0.000 2.608) 8.812 10.520 ( 10.980 -0.000 -1.106) 11.036 11.873 ( 2.864 -0.000 5.701) 6.380 12.139 ( 0.593 -0.000 -0.410) 0.721 12.180 ( 3.001 -0.000 -0.252) 3.012 12.466 ( -0.766 0.000 -1.174) 1.402 12.645 ( -2.471 0.000 -6.655) 7.099 13.164 ( -6.352 0.000 -7.737) 10.010 13.392 ( 0.001 -0.000 0.535) 0.535 13.785 ( 11.257 -0.000 8.126) 13.883 13.845 ( -3.203 0.000 -6.030) 6.828 13.986 ( -4.655 0.000 -6.892) 8.317 15.852 ( -3.280 0.000 -2.299) 4.006 16.493 ( -1.534 0.000 0.452) 1.599 16.671 ( 3.795 -0.000 3.311) 5.036 16.843 ( 2.541 -0.000 5.138) 5.732 17.233 ( -2.547 0.000 1.000) 2.736 17.450 ( 4.095 -0.000 5.452) 6.818 19.244 ( -26.315 0.000 3.308) 26.522 19.946 ( 33.061 -0.000 4.012) 33.303 20.732 ( 3.484 -0.000 -2.087) 4.061 21.122 ( -2.849 0.000 -3.269) 4.337 21.165 ( -2.007 0.000 4.422) 4.856 21.411 ( -1.307 0.000 3.400) 3.642 21.622 ( -0.883 0.000 -3.214) 3.333 21.987 ( 0.956 -0.000 -11.409) 11.449 23.048 ( -19.048 0.000 -5.664) 19.872 23.557 ( 1.762 -0.000 11.001) 11.141 23.580 ( -2.371 0.000 -0.183) 2.378 23.897 ( 9.740 -0.000 3.837) 10.468 25.627 ( -1.468 0.000 8.098) 8.230 25.664 ( 0.580 -0.000 -5.164) 5.196 25.883 ( -0.266 0.000 12.233) 12.236 26.509 ( 4.284 -0.000 -11.860) 12.610 26.514 ( 0.955 -0.000 -0.240) 0.985 27.192 ( 0.019 -0.000 1.385) 1.386 27.250 ( -1.870 0.000 2.779) 3.350 27.470 ( 0.670 -0.000 -5.785) 5.824 28.036 ( -0.720 0.000 -5.386) 5.434 28.286 ( -3.889 0.000 -4.744) 6.134 28.375 ( -5.460 0.000 -6.658) 8.611 29.074 ( -1.058 0.000 3.788) 3.933 29.492 ( 3.467 -0.000 1.249) 3.685 30.258 ( 3.714 -0.000 1.943) 4.192 30.513 ( -1.217 0.000 -6.198) 6.316 30.777 ( 0.610 -0.000 -0.827) 1.027 31.210 ( -2.637 0.000 1.756) 3.169 31.647 ( 1.197 -0.000 -1.102) 1.627 32.328 ( 0.081 -0.000 -1.600) 1.602 32.929 ( 0.401 -0.000 2.393) 2.426 46.383 ( -1.496 0.000 4.963) 5.183 46.521 ( -0.289 0.000 1.051) 1.090 47.888 ( 0.684 -0.000 1.083) 1.281 47.967 ( 0.745 -0.000 -3.305) 3.388 48.055 ( -0.539 0.000 -1.361) 1.464 48.457 ( 0.474 -0.000 -1.770) 1.832 48.806 ( -0.369 0.000 -1.243) 1.296 49.489 ( 0.235 -0.000 0.365) 0.434 87.917 ( 0.892 -0.000 -0.768) 1.177 87.998 ( -0.631 0.000 1.001) 1.183 89.207 ( -3.991 0.000 2.879) 4.921 89.306 ( -1.091 0.000 -3.409) 3.579 89.428 ( -0.688 0.000 -7.123) 7.156 89.997 ( 11.437 -0.000 11.007) 15.873 91.584 ( -0.883 0.000 2.582) 2.729 92.783 ( -2.280 0.000 -6.659) 7.038 97.541 ( 2.851 -0.000 0.981) 3.015 97.779 ( -4.246 0.000 -2.064) 4.721 97.962 ( -2.657 0.000 1.225) 2.926 98.465 ( -0.429 0.000 -1.404) 1.468 99.350 ( 1.476 -0.000 -0.261) 1.499 99.404 ( 0.072 -0.000 -1.063) 1.065 99.773 ( 1.452 -0.000 0.816) 1.665 99.960 ( 4.512 -0.000 6.084) 7.574 =================== 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 3/43956 10.0 288.043 259.790 380.285 -0.000 -4.159 -0.000 3/43956 20.0 82.079 56.702 105.406 -0.000 6.014 -0.000 3/43956 30.0 34.516 19.845 47.306 -0.000 1.789 -0.000 3/43956 40.0 17.996 9.176 25.983 -0.000 0.570 -0.000 3/43956 50.0 11.149 5.274 16.670 -0.000 0.199 -0.000 3/43956 60.0 7.799 3.524 11.895 -0.000 0.067 -0.000 3/43956 70.0 5.928 2.602 9.130 -0.000 0.017 -0.000 3/43956 80.0 4.772 2.053 7.374 -0.000 -0.003 -0.000 3/43956 90.0 4.000 1.694 6.178 -0.000 -0.009 -0.000 3/43956 100.0 3.451 1.443 5.317 -0.000 -0.009 -0.000 3/43956 110.0 3.043 1.258 4.670 -0.000 -0.007 -0.000 3/43956 120.0 2.726 1.116 4.168 -0.000 -0.003 -0.000 3/43956 130.0 2.474 1.005 3.766 -0.000 -0.000 -0.000 3/43956 140.0 2.267 0.914 3.437 -0.000 0.003 -0.000 3/43956 150.0 2.095 0.839 3.163 -0.000 0.005 -0.000 3/43956 160.0 1.949 0.776 2.932 -0.000 0.007 -0.000 3/43956 170.0 1.824 0.723 2.733 -0.000 0.009 -0.000 3/43956 180.0 1.714 0.676 2.560 -0.000 0.010 -0.000 3/43956 190.0 1.618 0.636 2.409 -0.000 0.012 -0.000 3/43956 200.0 1.533 0.601 2.276 -0.000 0.013 -0.000 3/43956 210.0 1.457 0.570 2.157 -0.000 0.013 -0.000 3/43956 220.0 1.389 0.542 2.051 -0.000 0.014 -0.000 3/43956 230.0 1.327 0.517 1.955 -0.000 0.014 -0.000 3/43956 240.0 1.271 0.494 1.868 -0.000 0.015 -0.000 3/43956 250.0 1.219 0.473 1.789 -0.000 0.015 -0.000 3/43956 260.0 1.172 0.455 1.716 -0.000 0.015 -0.000 3/43956 270.0 1.128 0.437 1.650 -0.000 0.015 -0.000 3/43956 280.0 1.088 0.422 1.589 -0.000 0.015 -0.000 3/43956 290.0 1.051 0.407 1.532 -0.000 0.015 -0.000 3/43956 300.0 1.016 0.393 1.479 -0.000 0.015 -0.000 3/43956 310.0 0.983 0.381 1.430 -0.000 0.015 -0.000 3/43956 320.0 0.953 0.369 1.385 -0.000 0.015 -0.000 3/43956 330.0 0.924 0.358 1.342 -0.000 0.014 -0.000 3/43956 340.0 0.897 0.348 1.302 -0.000 0.014 -0.000 3/43956 350.0 0.872 0.338 1.264 -0.000 0.014 -0.000 3/43956 360.0 0.848 0.329 1.229 -0.000 0.014 -0.000 3/43956 370.0 0.826 0.320 1.196 -0.000 0.014 -0.000 3/43956 380.0 0.804 0.312 1.164 -0.000 0.014 -0.000 3/43956 390.0 0.784 0.304 1.134 -0.000 0.013 -0.000 3/43956 400.0 0.765 0.297 1.106 -0.000 0.013 -0.000 3/43956 410.0 0.747 0.290 1.079 -0.000 0.013 -0.000 3/43956 420.0 0.729 0.283 1.053 -0.000 0.013 -0.000 3/43956 430.0 0.713 0.277 1.029 -0.000 0.013 -0.000 3/43956 440.0 0.697 0.271 1.006 -0.000 0.012 -0.000 3/43956 450.0 0.682 0.265 0.984 -0.000 0.012 -0.000 3/43956 460.0 0.667 0.259 0.962 -0.000 0.012 -0.000 3/43956 470.0 0.653 0.254 0.942 -0.000 0.012 -0.000 3/43956 480.0 0.640 0.249 0.923 -0.000 0.012 -0.000 3/43956 490.0 0.627 0.244 0.904 -0.000 0.012 -0.000 3/43956 500.0 0.615 0.240 0.886 -0.000 0.011 -0.000 3/43956 510.0 0.603 0.235 0.869 -0.000 0.011 -0.000 3/43956 520.0 0.592 0.231 0.853 -0.000 0.011 -0.000 3/43956 530.0 0.581 0.227 0.837 -0.000 0.011 -0.000 3/43956 540.0 0.570 0.222 0.822 -0.000 0.011 -0.000 3/43956 550.0 0.560 0.219 0.807 -0.000 0.011 -0.000 3/43956 560.0 0.550 0.215 0.793 -0.000 0.010 -0.000 3/43956 570.0 0.541 0.211 0.779 -0.000 0.010 -0.000 3/43956 580.0 0.532 0.208 0.766 -0.000 0.010 -0.000 3/43956 590.0 0.523 0.204 0.753 -0.000 0.010 -0.000 3/43956 600.0 0.514 0.201 0.741 -0.000 0.010 -0.000 3/43956 610.0 0.506 0.198 0.729 -0.000 0.010 -0.000 3/43956 620.0 0.498 0.195 0.717 -0.000 0.010 -0.000 3/43956 630.0 0.491 0.192 0.706 -0.000 0.009 -0.000 3/43956 640.0 0.483 0.189 0.695 -0.000 0.009 -0.000 3/43956 650.0 0.476 0.186 0.685 -0.000 0.009 -0.000 3/43956 660.0 0.469 0.184 0.675 -0.000 0.009 -0.000 3/43956 670.0 0.462 0.181 0.665 -0.000 0.009 -0.000 3/43956 680.0 0.455 0.178 0.655 -0.000 0.009 -0.000 3/43956 690.0 0.449 0.176 0.646 -0.000 0.009 -0.000 3/43956 700.0 0.442 0.174 0.637 -0.000 0.009 -0.000 3/43956 710.0 0.436 0.171 0.628 -0.000 0.008 -0.000 3/43956 720.0 0.430 0.169 0.619 -0.000 0.008 -0.000 3/43956 730.0 0.425 0.167 0.611 -0.000 0.008 -0.000 3/43956 740.0 0.419 0.165 0.603 -0.000 0.008 -0.000 3/43956 750.0 0.414 0.162 0.595 -0.000 0.008 -0.000 3/43956 760.0 0.408 0.160 0.587 -0.000 0.008 -0.000 3/43956 770.0 0.403 0.158 0.580 -0.000 0.008 -0.000 3/43956 780.0 0.398 0.157 0.573 -0.000 0.008 -0.000 3/43956 790.0 0.393 0.155 0.565 -0.000 0.008 -0.000 3/43956 800.0 0.388 0.153 0.558 -0.000 0.008 -0.000 3/43956 810.0 0.384 0.151 0.552 -0.000 0.007 -0.000 3/43956 820.0 0.379 0.149 0.545 -0.000 0.007 -0.000 3/43956 830.0 0.375 0.147 0.539 -0.000 0.007 -0.000 3/43956 840.0 0.370 0.146 0.532 -0.000 0.007 -0.000 3/43956 850.0 0.366 0.144 0.526 -0.000 0.007 -0.000 3/43956 860.0 0.362 0.143 0.520 -0.000 0.007 -0.000 3/43956 870.0 0.358 0.141 0.514 -0.000 0.007 -0.000 3/43956 880.0 0.354 0.139 0.509 -0.000 0.007 -0.000 3/43956 890.0 0.350 0.138 0.503 -0.000 0.007 -0.000 3/43956 900.0 0.346 0.137 0.498 -0.000 0.007 -0.000 3/43956 910.0 0.342 0.135 0.492 -0.000 0.007 -0.000 3/43956 920.0 0.339 0.134 0.487 -0.000 0.007 -0.000 3/43956 930.0 0.335 0.132 0.482 -0.000 0.006 -0.000 3/43956 940.0 0.332 0.131 0.477 -0.000 0.006 -0.000 3/43956 950.0 0.328 0.130 0.472 -0.000 0.006 -0.000 3/43956 960.0 0.325 0.128 0.467 -0.000 0.006 -0.000 3/43956 970.0 0.321 0.127 0.462 -0.000 0.006 -0.000 3/43956 980.0 0.318 0.126 0.458 -0.000 0.006 -0.000 3/43956 990.0 0.315 0.125 0.453 -0.000 0.006 -0.000 3/43956 1000.0 0.312 0.123 0.449 -0.000 0.006 -0.000 3/43956 Thermal conductivity related properties were written into "kappa-m6611.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:12:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|