----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.158604810001615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): *1 O 0.60680440378530 0.34911510823772 0.39837634750717 15.999 2 O 0.39319559621470 0.84911510823772 0.10162365249282 15.999 3 O 0.39319559621470 0.65088489176228 0.60162365249283 15.999 4 O 0.60680440378530 0.15088489176228 0.89837634750717 15.999 *5 O 0.85139713061170 0.33528296065768 0.08478358874777 15.999 6 O 0.14860286938830 0.83528296065768 0.41521641125223 15.999 7 O 0.14860286938830 0.66471703934232 0.91521641125223 15.999 8 O 0.85139713061170 0.16471703934232 0.58478358874777 15.999 *9 O 0.70716175206656 0.16792617411922 0.29883085848788 15.999 10 O 0.29283824793344 0.66792617411922 0.20116914151212 15.999 11 O 0.29283824793344 0.83207382588078 0.70116914151212 15.999 12 O 0.70716175206656 0.33207382588078 0.79883085848788 15.999 *13 O 0.30363916302692 0.11302922080676 0.09184614793253 15.999 14 O 0.69636083697308 0.61302922080676 0.40815385206747 15.999 15 O 0.69636083697308 0.88697077919324 0.90815385206747 15.999 16 O 0.30363916302692 0.38697077919324 0.59184614793253 15.999 *17 O 0.86947581833195 0.38650976224478 0.29896624902907 15.999 *18 O 0.16295796141349 0.21161221208816 0.39254688286497 15.999 19 O 0.13052418166805 0.88650976224478 0.20103375097093 15.999 20 O 0.86947581833195 0.11349023775522 0.79896624902907 15.999 *21 O 0.97580390596263 0.13292705428375 0.14838992680831 15.999 22 O 0.02419609403738 0.63292705428375 0.35161007319169 15.999 23 O 0.02419609403738 0.86707294571625 0.85161007319169 15.999 24 O 0.97580390596263 0.36707294571625 0.64838992680831 15.999 *25 O 0.14291948050393 0.47973832061962 0.86244681232591 15.999 26 O 0.85708051949607 0.97973832061962 0.63755318767409 15.999 27 O 0.85708051949607 0.52026167938038 0.13755318767409 15.999 28 O 0.14291948050393 0.02026167938038 0.36244681232591 15.999 *29 O 0.42926865486235 0.01223015266788 0.70953087421362 15.999 30 O 0.57073134513765 0.51223015266788 0.79046912578638 15.999 31 O 0.57073134513765 0.98776984733212 0.29046912578639 15.999 32 O 0.42926865486235 0.48776984733212 0.20953087421361 15.999 *33 O 0.40729352341783 0.37191589772266 0.83851197437203 15.999 34 O 0.59270647658217 0.87191589772266 0.66148802562797 15.999 35 O 0.59270647658217 0.62808410227734 0.16148802562797 15.999 36 O 0.40729352341783 0.12808410227734 0.33851197437203 15.999 *37 O 0.21500875197552 0.08195478114930 0.79886262088982 15.999 38 O 0.78499124802448 0.58195478114930 0.70113737911018 15.999 39 O 0.78499124802448 0.91804521885070 0.20113737911018 15.999 40 O 0.21500875197552 0.41804521885070 0.29886262088983 15.999 *41 O 0.27726043859998 0.18885422062485 0.64489414227543 15.999 42 O 0.72273956140002 0.68885422062485 0.85510585772457 15.999 43 O 0.72273956140002 0.81114577937515 0.35510585772457 15.999 44 O 0.27726043859998 0.31114577937515 0.14489414227543 15.999 45 O 0.16295796141349 0.28838778791184 0.89254688286497 15.999 46 O 0.83704203858651 0.78838778791184 0.60745311713503 15.999 47 O 0.83704203858651 0.71161221208816 0.10745311713503 15.999 48 O 0.13052418166805 0.61349023775522 0.70103375097093 15.999 *49 Na 0.44010044955160 0.77558332570973 0.93906931305450 22.990 50 Na 0.44010044955160 0.72441667429027 0.43906931305450 22.990 51 Na 0.55989955044840 0.22441667429027 0.06093068694550 22.990 52 Na 0.55989955044840 0.27558332570973 0.56093068694550 22.990 *53 P 0.60824096155773 0.88409193354616 0.23579308229923 30.974 *54 P 0.50650274509164 0.60449414697403 0.25579061599268 30.974 55 P 0.50650274509164 0.89550585302597 0.75579061599268 30.974 56 P 0.49349725490836 0.39550585302597 0.74420938400732 30.974 57 P 0.39175903844227 0.38409193354616 0.26420691770077 30.974 58 P 0.49349725490836 0.10449414697403 0.24420938400732 30.974 59 P 0.60824096155773 0.61590806645384 0.73579308229923 30.974 60 P 0.39175903844227 0.11590806645384 0.76420691770077 30.974 *61 P 0.15223317068859 0.37134341983031 0.80195085998012 30.974 *62 P 0.06193087749741 0.90694498976044 0.29573556631218 30.974 63 P 0.06193087749741 0.59305501023956 0.79573556631218 30.974 64 P 0.93806912250259 0.09305501023956 0.70426443368782 30.974 65 P 0.84776682931141 0.87134341983031 0.69804914001988 30.974 66 P 0.84776682931141 0.62865658016969 0.19804914001988 30.974 67 P 0.15223317068859 0.12865658016969 0.30195085998012 30.974 68 P 0.93806912250259 0.40694498976044 0.20426443368782 30.974 *69 Er 0.96485281357512 0.27968797477054 0.47742467153645 167.259 70 Er 0.03514718642488 0.77968797477054 0.02257532846355 167.259 71 Er 0.03514718642488 0.72031202522946 0.52257532846355 167.259 72 Er 0.96485281357512 0.22031202522946 0.97742467153645 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.158604810001615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): *1 O 0.60680440378530 0.34911510823772 0.39837634750717 15.999 > 1 2 O 0.39319559621470 0.84911510823772 0.10162365249282 15.999 > 2 3 O 0.39319559621470 0.65088489176228 0.60162365249283 15.999 > 3 4 O 0.60680440378530 0.15088489176228 0.89837634750717 15.999 > 4 *5 O 0.85139713061170 0.33528296065768 0.08478358874777 15.999 > 5 6 O 0.14860286938830 0.83528296065768 0.41521641125223 15.999 > 6 7 O 0.14860286938830 0.66471703934232 0.91521641125223 15.999 > 7 8 O 0.85139713061170 0.16471703934232 0.58478358874777 15.999 > 8 *9 O 0.70716175206656 0.16792617411922 0.29883085848788 15.999 > 9 10 O 0.29283824793344 0.66792617411922 0.20116914151212 15.999 > 10 11 O 0.29283824793344 0.83207382588078 0.70116914151212 15.999 > 11 12 O 0.70716175206656 0.33207382588078 0.79883085848788 15.999 > 12 *13 O 0.30363916302692 0.11302922080676 0.09184614793253 15.999 > 13 14 O 0.69636083697308 0.61302922080676 0.40815385206747 15.999 > 14 15 O 0.69636083697308 0.88697077919324 0.90815385206747 15.999 > 15 16 O 0.30363916302692 0.38697077919324 0.59184614793253 15.999 > 16 *17 O 0.86947581833195 0.38650976224478 0.29896624902907 15.999 > 17 *18 O 0.16295796141349 0.21161221208816 0.39254688286497 15.999 > 18 19 O 0.13052418166805 0.88650976224478 0.20103375097093 15.999 > 19 20 O 0.86947581833195 0.11349023775522 0.79896624902907 15.999 > 20 *21 O 0.97580390596263 0.13292705428375 0.14838992680831 15.999 > 21 22 O 0.02419609403738 0.63292705428375 0.35161007319169 15.999 > 22 23 O 0.02419609403738 0.86707294571625 0.85161007319169 15.999 > 23 24 O 0.97580390596263 0.36707294571625 0.64838992680831 15.999 > 24 *25 O 0.14291948050393 0.47973832061962 0.86244681232591 15.999 > 25 26 O 0.85708051949607 0.97973832061962 0.63755318767409 15.999 > 26 27 O 0.85708051949607 0.52026167938038 0.13755318767409 15.999 > 27 28 O 0.14291948050393 0.02026167938038 0.36244681232591 15.999 > 28 *29 O 0.42926865486235 0.01223015266788 0.70953087421362 15.999 > 29 30 O 0.57073134513765 0.51223015266788 0.79046912578638 15.999 > 30 31 O 0.57073134513765 0.98776984733212 0.29046912578639 15.999 > 31 32 O 0.42926865486235 0.48776984733212 0.20953087421361 15.999 > 32 *33 O 0.40729352341783 0.37191589772266 0.83851197437203 15.999 > 33 34 O 0.59270647658217 0.87191589772266 0.66148802562797 15.999 > 34 35 O 0.59270647658217 0.62808410227734 0.16148802562797 15.999 > 35 36 O 0.40729352341783 0.12808410227734 0.33851197437203 15.999 > 36 *37 O 0.21500875197552 0.08195478114930 0.79886262088982 15.999 > 37 38 O 0.78499124802448 0.58195478114930 0.70113737911018 15.999 > 38 39 O 0.78499124802448 0.91804521885070 0.20113737911018 15.999 > 39 40 O 0.21500875197552 0.41804521885070 0.29886262088983 15.999 > 40 *41 O 0.27726043859998 0.18885422062485 0.64489414227543 15.999 > 41 42 O 0.72273956140002 0.68885422062485 0.85510585772457 15.999 > 42 43 O 0.72273956140002 0.81114577937515 0.35510585772457 15.999 > 43 44 O 0.27726043859998 0.31114577937515 0.14489414227543 15.999 > 44 45 O 0.16295796141349 0.28838778791184 0.89254688286497 15.999 > 45 46 O 0.83704203858651 0.78838778791184 0.60745311713503 15.999 > 46 47 O 0.83704203858651 0.71161221208816 0.10745311713503 15.999 > 47 48 O 0.13052418166805 0.61349023775522 0.70103375097093 15.999 > 48 *49 Na 0.44010044955160 0.77558332570973 0.93906931305450 22.990 > 49 50 Na 0.44010044955160 0.72441667429027 0.43906931305450 22.990 > 50 51 Na 0.55989955044840 0.22441667429027 0.06093068694550 22.990 > 51 52 Na 0.55989955044840 0.27558332570973 0.56093068694550 22.990 > 52 *53 P 0.60824096155773 0.88409193354616 0.23579308229923 30.974 > 53 *54 P 0.50650274509164 0.60449414697403 0.25579061599268 30.974 > 54 55 P 0.50650274509164 0.89550585302597 0.75579061599268 30.974 > 55 56 P 0.49349725490836 0.39550585302597 0.74420938400732 30.974 > 56 57 P 0.39175903844227 0.38409193354616 0.26420691770077 30.974 > 57 58 P 0.49349725490836 0.10449414697403 0.24420938400732 30.974 > 58 59 P 0.60824096155773 0.61590806645384 0.73579308229923 30.974 > 59 60 P 0.39175903844227 0.11590806645384 0.76420691770077 30.974 > 60 *61 P 0.15223317068859 0.37134341983031 0.80195085998012 30.974 > 61 *62 P 0.06193087749741 0.90694498976044 0.29573556631218 30.974 > 62 63 P 0.06193087749741 0.59305501023956 0.79573556631218 30.974 > 63 64 P 0.93806912250259 0.09305501023956 0.70426443368782 30.974 > 64 65 P 0.84776682931141 0.87134341983031 0.69804914001988 30.974 > 65 66 P 0.84776682931141 0.62865658016969 0.19804914001988 30.974 > 66 67 P 0.15223317068859 0.12865658016969 0.30195085998012 30.974 > 67 68 P 0.93806912250259 0.40694498976044 0.20426443368782 30.974 > 68 *69 Er 0.96485281357512 0.27968797477054 0.47742467153645 167.259 > 69 70 Er 0.03514718642488 0.77968797477054 0.02257532846355 167.259 > 70 71 Er 0.03514718642488 0.72031202522946 0.52257532846355 167.259 > 71 72 Er 0.96485281357512 0.22031202522946 0.97742467153645 167.259 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.317209620003229 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): *1 O 0.30340220189265 0.34911510823772 0.39837634750717 15.999 > 1 2 O 0.80340220189265 0.34911510823772 0.39837634750717 15.999 > 1 3 O 0.19659779810735 0.84911510823772 0.10162365249282 15.999 > 2 4 O 0.69659779810735 0.84911510823772 0.10162365249282 15.999 > 2 5 O 0.19659779810735 0.65088489176228 0.60162365249283 15.999 > 3 6 O 0.69659779810735 0.65088489176228 0.60162365249283 15.999 > 3 7 O 0.30340220189265 0.15088489176228 0.89837634750717 15.999 > 4 8 O 0.80340220189265 0.15088489176228 0.89837634750717 15.999 > 4 *9 O 0.42569856530585 0.33528296065768 0.08478358874777 15.999 > 5 10 O 0.92569856530585 0.33528296065768 0.08478358874777 15.999 > 5 11 O 0.07430143469415 0.83528296065768 0.41521641125223 15.999 > 6 12 O 0.57430143469415 0.83528296065768 0.41521641125223 15.999 > 6 13 O 0.07430143469415 0.66471703934232 0.91521641125223 15.999 > 7 14 O 0.57430143469415 0.66471703934232 0.91521641125223 15.999 > 7 15 O 0.42569856530585 0.16471703934232 0.58478358874777 15.999 > 8 16 O 0.92569856530585 0.16471703934232 0.58478358874777 15.999 > 8 *17 O 0.35358087603328 0.16792617411922 0.29883085848788 15.999 > 9 18 O 0.85358087603328 0.16792617411922 0.29883085848788 15.999 > 9 19 O 0.14641912396672 0.66792617411922 0.20116914151212 15.999 > 10 20 O 0.64641912396672 0.66792617411922 0.20116914151212 15.999 > 10 21 O 0.14641912396672 0.83207382588078 0.70116914151212 15.999 > 11 22 O 0.64641912396672 0.83207382588078 0.70116914151212 15.999 > 11 23 O 0.35358087603328 0.33207382588078 0.79883085848788 15.999 > 12 24 O 0.85358087603328 0.33207382588078 0.79883085848788 15.999 > 12 *25 O 0.15181958151346 0.11302922080676 0.09184614793253 15.999 > 13 26 O 0.65181958151346 0.11302922080676 0.09184614793253 15.999 > 13 27 O 0.34818041848654 0.61302922080676 0.40815385206747 15.999 > 14 28 O 0.84818041848654 0.61302922080676 0.40815385206747 15.999 > 14 29 O 0.34818041848654 0.88697077919324 0.90815385206747 15.999 > 15 30 O 0.84818041848654 0.88697077919324 0.90815385206747 15.999 > 15 31 O 0.15181958151346 0.38697077919324 0.59184614793253 15.999 > 16 32 O 0.65181958151346 0.38697077919324 0.59184614793253 15.999 > 16 *33 O 0.43473790916597 0.38650976224478 0.29896624902907 15.999 > 17 34 O 0.93473790916597 0.38650976224478 0.29896624902907 15.999 > 17 *35 O 0.08147898070675 0.21161221208816 0.39254688286497 15.999 > 18 36 O 0.58147898070675 0.21161221208816 0.39254688286497 15.999 > 18 37 O 0.06526209083403 0.88650976224478 0.20103375097093 15.999 > 19 38 O 0.56526209083403 0.88650976224478 0.20103375097093 15.999 > 19 39 O 0.43473790916597 0.11349023775522 0.79896624902907 15.999 > 20 40 O 0.93473790916597 0.11349023775522 0.79896624902907 15.999 > 20 *41 O 0.48790195298131 0.13292705428375 0.14838992680831 15.999 > 21 42 O 0.98790195298131 0.13292705428375 0.14838992680831 15.999 > 21 43 O 0.01209804701869 0.63292705428375 0.35161007319169 15.999 > 22 44 O 0.51209804701869 0.63292705428375 0.35161007319169 15.999 > 22 45 O 0.01209804701869 0.86707294571625 0.85161007319169 15.999 > 23 46 O 0.51209804701869 0.86707294571625 0.85161007319169 15.999 > 23 47 O 0.48790195298131 0.36707294571625 0.64838992680831 15.999 > 24 48 O 0.98790195298131 0.36707294571625 0.64838992680831 15.999 > 24 *49 O 0.07145974025196 0.47973832061962 0.86244681232591 15.999 > 25 50 O 0.57145974025196 0.47973832061962 0.86244681232591 15.999 > 25 51 O 0.42854025974804 0.97973832061962 0.63755318767409 15.999 > 26 52 O 0.92854025974804 0.97973832061962 0.63755318767409 15.999 > 26 53 O 0.42854025974804 0.52026167938038 0.13755318767409 15.999 > 27 54 O 0.92854025974804 0.52026167938038 0.13755318767409 15.999 > 27 55 O 0.07145974025196 0.02026167938038 0.36244681232591 15.999 > 28 56 O 0.57145974025196 0.02026167938038 0.36244681232591 15.999 > 28 *57 O 0.21463432743118 0.01223015266788 0.70953087421362 15.999 > 29 58 O 0.71463432743118 0.01223015266788 0.70953087421362 15.999 > 29 59 O 0.28536567256882 0.51223015266788 0.79046912578638 15.999 > 30 60 O 0.78536567256882 0.51223015266788 0.79046912578638 15.999 > 30 61 O 0.28536567256882 0.98776984733212 0.29046912578639 15.999 > 31 62 O 0.78536567256882 0.98776984733212 0.29046912578639 15.999 > 31 63 O 0.21463432743118 0.48776984733212 0.20953087421361 15.999 > 32 64 O 0.71463432743118 0.48776984733212 0.20953087421361 15.999 > 32 *65 O 0.20364676170891 0.37191589772266 0.83851197437203 15.999 > 33 66 O 0.70364676170891 0.37191589772266 0.83851197437203 15.999 > 33 67 O 0.29635323829109 0.87191589772266 0.66148802562797 15.999 > 34 68 O 0.79635323829109 0.87191589772266 0.66148802562797 15.999 > 34 69 O 0.29635323829109 0.62808410227734 0.16148802562797 15.999 > 35 70 O 0.79635323829109 0.62808410227734 0.16148802562797 15.999 > 35 71 O 0.20364676170891 0.12808410227734 0.33851197437203 15.999 > 36 72 O 0.70364676170891 0.12808410227734 0.33851197437203 15.999 > 36 *73 O 0.10750437598776 0.08195478114930 0.79886262088982 15.999 > 37 74 O 0.60750437598776 0.08195478114930 0.79886262088982 15.999 > 37 75 O 0.39249562401224 0.58195478114930 0.70113737911018 15.999 > 38 76 O 0.89249562401224 0.58195478114930 0.70113737911018 15.999 > 38 77 O 0.39249562401224 0.91804521885070 0.20113737911018 15.999 > 39 78 O 0.89249562401224 0.91804521885070 0.20113737911018 15.999 > 39 79 O 0.10750437598776 0.41804521885070 0.29886262088983 15.999 > 40 80 O 0.60750437598776 0.41804521885070 0.29886262088983 15.999 > 40 *81 O 0.13863021929999 0.18885422062485 0.64489414227543 15.999 > 41 82 O 0.63863021929999 0.18885422062485 0.64489414227543 15.999 > 41 83 O 0.36136978070001 0.68885422062485 0.85510585772457 15.999 > 42 84 O 0.86136978070001 0.68885422062485 0.85510585772457 15.999 > 42 85 O 0.36136978070001 0.81114577937515 0.35510585772457 15.999 > 43 86 O 0.86136978070001 0.81114577937515 0.35510585772457 15.999 > 43 87 O 0.13863021929999 0.31114577937515 0.14489414227543 15.999 > 44 88 O 0.63863021929999 0.31114577937515 0.14489414227543 15.999 > 44 89 O 0.08147898070675 0.28838778791184 0.89254688286497 15.999 > 45 90 O 0.58147898070675 0.28838778791184 0.89254688286497 15.999 > 45 91 O 0.41852101929325 0.78838778791184 0.60745311713503 15.999 > 46 92 O 0.91852101929325 0.78838778791184 0.60745311713503 15.999 > 46 93 O 0.41852101929325 0.71161221208816 0.10745311713503 15.999 > 47 94 O 0.91852101929325 0.71161221208816 0.10745311713503 15.999 > 47 95 O 0.06526209083403 0.61349023775522 0.70103375097093 15.999 > 48 96 O 0.56526209083403 0.61349023775522 0.70103375097093 15.999 > 48 *97 Na 0.22005022477580 0.77558332570973 0.93906931305450 22.990 > 49 98 Na 0.72005022477580 0.77558332570973 0.93906931305450 22.990 > 49 99 Na 0.22005022477580 0.72441667429027 0.43906931305450 22.990 > 50 100 Na 0.72005022477580 0.72441667429027 0.43906931305450 22.990 > 50 101 Na 0.27994977522420 0.22441667429027 0.06093068694550 22.990 > 51 102 Na 0.77994977522420 0.22441667429027 0.06093068694550 22.990 > 51 103 Na 0.27994977522420 0.27558332570973 0.56093068694550 22.990 > 52 104 Na 0.77994977522420 0.27558332570973 0.56093068694550 22.990 > 52 *105 P 0.30412048077886 0.88409193354616 0.23579308229923 30.974 > 53 106 P 0.80412048077886 0.88409193354616 0.23579308229923 30.974 > 53 *107 P 0.25325137254582 0.60449414697403 0.25579061599268 30.974 > 54 108 P 0.75325137254582 0.60449414697403 0.25579061599268 30.974 > 54 109 P 0.25325137254582 0.89550585302597 0.75579061599268 30.974 > 55 110 P 0.75325137254582 0.89550585302597 0.75579061599268 30.974 > 55 111 P 0.24674862745418 0.39550585302597 0.74420938400732 30.974 > 56 112 P 0.74674862745418 0.39550585302597 0.74420938400732 30.974 > 56 113 P 0.19587951922114 0.38409193354616 0.26420691770077 30.974 > 57 114 P 0.69587951922114 0.38409193354616 0.26420691770077 30.974 > 57 115 P 0.24674862745418 0.10449414697403 0.24420938400732 30.974 > 58 116 P 0.74674862745418 0.10449414697403 0.24420938400732 30.974 > 58 117 P 0.30412048077886 0.61590806645384 0.73579308229923 30.974 > 59 118 P 0.80412048077886 0.61590806645384 0.73579308229923 30.974 > 59 119 P 0.19587951922114 0.11590806645384 0.76420691770077 30.974 > 60 120 P 0.69587951922114 0.11590806645384 0.76420691770077 30.974 > 60 *121 P 0.07611658534430 0.37134341983031 0.80195085998012 30.974 > 61 122 P 0.57611658534430 0.37134341983031 0.80195085998012 30.974 > 61 *123 P 0.03096543874871 0.90694498976044 0.29573556631218 30.974 > 62 124 P 0.53096543874871 0.90694498976044 0.29573556631218 30.974 > 62 125 P 0.03096543874871 0.59305501023956 0.79573556631218 30.974 > 63 126 P 0.53096543874871 0.59305501023956 0.79573556631218 30.974 > 63 127 P 0.46903456125129 0.09305501023956 0.70426443368782 30.974 > 64 128 P 0.96903456125129 0.09305501023956 0.70426443368782 30.974 > 64 129 P 0.42388341465570 0.87134341983031 0.69804914001988 30.974 > 65 130 P 0.92388341465570 0.87134341983031 0.69804914001988 30.974 > 65 131 P 0.42388341465570 0.62865658016969 0.19804914001988 30.974 > 66 132 P 0.92388341465570 0.62865658016969 0.19804914001988 30.974 > 66 133 P 0.07611658534430 0.12865658016969 0.30195085998012 30.974 > 67 134 P 0.57611658534430 0.12865658016969 0.30195085998012 30.974 > 67 135 P 0.46903456125129 0.40694498976044 0.20426443368782 30.974 > 68 136 P 0.96903456125129 0.40694498976044 0.20426443368782 30.974 > 68 *137 Er 0.48242640678756 0.27968797477054 0.47742467153645 167.259 > 69 138 Er 0.98242640678756 0.27968797477054 0.47742467153645 167.259 > 69 139 Er 0.01757359321244 0.77968797477054 0.02257532846355 167.259 > 70 140 Er 0.51757359321244 0.77968797477054 0.02257532846355 167.259 > 70 141 Er 0.01757359321244 0.72031202522946 0.52257532846355 167.259 > 71 142 Er 0.51757359321244 0.72031202522946 0.52257532846355 167.259 > 71 143 Er 0.48242640678756 0.22031202522946 0.97742467153645 167.259 > 72 144 Er 0.98242640678756 0.22031202522946 0.97742467153645 167.259 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7457395 0.0000000 0.0109888 0.0000000 2.7509233 0.0000000 0.0109908 0.0000000 2.6930864 -------------------------- Born effective charges -------------------------- 1 O -1.6931447 0.2788505 -0.6226334 0.3488718 -1.3120981 0.5046673 -0.6109984 0.3475719 -1.7569692 2 O -1.6931447 -0.2788505 -0.6226334 -0.3488718 -1.3120981 -0.5046673 -0.6109984 -0.3475719 -1.7569692 3 O -1.6931447 0.2788505 -0.6226334 0.3488718 -1.3120981 0.5046673 -0.6109984 0.3475719 -1.7569692 4 O -1.6931447 -0.2788505 -0.6226334 -0.3488718 -1.3120981 -0.5046673 -0.6109984 -0.3475719 -1.7569692 5 O -1.2739827 0.2891838 0.1887515 0.2743515 -1.5911728 -0.5464431 0.2991385 -0.6293074 -1.6635126 6 O -1.2739827 -0.2891838 0.1887515 -0.2743515 -1.5911728 0.5464431 0.2991385 0.6293074 -1.6635126 7 O -1.2739827 0.2891838 0.1887515 0.2743515 -1.5911728 -0.5464431 0.2991385 -0.6293074 -1.6635126 8 O -1.2739827 -0.2891838 0.1887515 -0.2743515 -1.5911728 0.5464431 0.2991385 0.6293074 -1.6635126 9 O -1.7189267 -0.5139200 -0.4929608 -0.5137172 -1.6141274 -0.3990514 -0.4760895 -0.5117070 -1.5079546 10 O -1.7189267 0.5139200 -0.4929608 0.5137172 -1.6141274 0.3990514 -0.4760895 0.5117070 -1.5079546 11 O -1.7189267 -0.5139200 -0.4929608 -0.5137172 -1.6141274 -0.3990514 -0.4760895 -0.5117070 -1.5079546 12 O -1.7189267 0.5139200 -0.4929608 0.5137172 -1.6141274 0.3990514 -0.4760895 0.5117070 -1.5079546 13 O -1.3096525 0.2193448 -0.3319671 0.2470163 -1.3104870 0.4925241 -0.4086713 0.2698530 -1.8415548 14 O -1.3096525 -0.2193448 -0.3319671 -0.2470163 -1.3104870 -0.4925241 -0.4086713 -0.2698530 -1.8415548 15 O -1.3096525 0.2193448 -0.3319671 0.2470163 -1.3104870 0.4925241 -0.4086713 0.2698530 -1.8415548 16 O -1.3096525 -0.2193448 -0.3319671 -0.2470163 -1.3104870 -0.4925241 -0.4086713 -0.2698530 -1.8415548 17 O -1.6715240 -0.2681074 0.6677537 -0.3347571 -1.4465433 0.6154215 0.6366160 0.3938308 -1.6922925 18 O -1.6536221 0.4730285 0.4803135 0.4309180 -1.6311314 -0.4082189 0.4808506 -0.5389709 -1.4947593 19 O -1.6715240 0.2681074 0.6677537 0.3347571 -1.4465433 -0.6154215 0.6366160 -0.3938308 -1.6922925 20 O -1.6715240 0.2681074 0.6677537 0.3347571 -1.4465433 -0.6154215 0.6366160 -0.3938308 -1.6922925 21 O -1.2153084 -0.0918450 0.1833067 -0.1462879 -1.2637744 0.6143970 0.1979967 0.2636354 -2.0597067 22 O -1.2153084 0.0918450 0.1833067 0.1462879 -1.2637744 -0.6143970 0.1979967 -0.2636354 -2.0597067 23 O -1.2153084 -0.0918450 0.1833067 -0.1462879 -1.2637744 0.6143970 0.1979967 0.2636354 -2.0597067 24 O -1.2153084 0.0918450 0.1833067 0.1462879 -1.2637744 -0.6143970 0.1979967 -0.2636354 -2.0597067 25 O -1.0696868 0.7435412 0.0756300 0.4149166 -3.1838639 0.0273572 0.1291166 0.0305975 -0.9700754 26 O -1.0696868 -0.7435412 0.0756300 -0.4149166 -3.1838639 -0.0273572 0.1291166 -0.0305975 -0.9700754 27 O -1.0696868 0.7435412 0.0756300 0.4149166 -3.1838639 0.0273572 0.1291166 0.0305975 -0.9700754 28 O -1.0696868 -0.7435412 0.0756300 -0.4149166 -3.1838639 -0.0273572 0.1291166 -0.0305975 -0.9700754 29 O -1.2461707 0.9209286 -0.0039676 0.7216681 -3.3386973 -0.0078864 -0.0515706 -0.0514131 -0.8807028 30 O -1.2461707 -0.9209286 -0.0039676 -0.7216681 -3.3386973 0.0078864 -0.0515706 0.0514131 -0.8807028 31 O -1.2461707 0.9209286 -0.0039676 0.7216681 -3.3386973 -0.0078864 -0.0515706 -0.0514131 -0.8807028 32 O -1.2461707 -0.9209286 -0.0039676 -0.7216681 -3.3386973 0.0078864 -0.0515706 0.0514131 -0.8807028 33 O -3.0100590 -0.2329351 0.3753385 -0.1498174 -0.9790129 -0.0080431 0.2242558 0.1256137 -1.1383306 34 O -3.0100590 0.2329351 0.3753385 0.1498174 -0.9790129 0.0080431 0.2242558 -0.1256137 -1.1383306 35 O -3.0100590 -0.2329351 0.3753385 -0.1498174 -0.9790129 -0.0080431 0.2242558 0.1256137 -1.1383306 36 O -3.0100590 0.2329351 0.3753385 0.1498174 -0.9790129 0.0080431 0.2242558 -0.1256137 -1.1383306 37 O -3.0149673 -0.2385070 -0.4449930 -0.1849166 -1.0470800 -0.0346461 -0.2976949 0.1342417 -1.0285898 38 O -3.0149673 0.2385070 -0.4449930 0.1849166 -1.0470800 0.0346461 -0.2976949 -0.1342417 -1.0285898 39 O -3.0149673 -0.2385070 -0.4449930 -0.1849166 -1.0470800 -0.0346461 -0.2976949 0.1342417 -1.0285898 40 O -3.0149673 0.2385070 -0.4449930 0.1849166 -1.0470800 0.0346461 -0.2976949 -0.1342417 -1.0285898 41 O -1.2079324 0.1268452 -0.2603887 0.1591039 -1.7176243 0.6534137 -0.2754395 0.6684227 -1.8762319 42 O -1.2079324 -0.1268452 -0.2603887 -0.1591039 -1.7176243 -0.6534137 -0.2754395 -0.6684227 -1.8762319 43 O -1.2079324 0.1268452 -0.2603887 0.1591039 -1.7176243 0.6534137 -0.2754395 0.6684227 -1.8762319 44 O -1.2079324 -0.1268452 -0.2603887 -0.1591039 -1.7176243 -0.6534137 -0.2754395 -0.6684227 -1.8762319 45 O -1.6536221 -0.4730285 0.4803135 -0.4309180 -1.6311314 0.4082189 0.4808506 0.5389709 -1.4947593 46 O -1.6536221 0.4730285 0.4803135 0.4309180 -1.6311314 -0.4082189 0.4808506 -0.5389709 -1.4947593 47 O -1.6536221 -0.4730285 0.4803135 -0.4309180 -1.6311314 0.4082189 0.4808506 0.5389709 -1.4947593 48 O -1.6715240 -0.2681074 0.6677537 -0.3347571 -1.4465433 0.6154215 0.6366160 0.3938308 -1.6922925 49 Na 1.1962868 0.0523450 -0.0284148 -0.0174858 1.0196987 -0.0646335 -0.0091166 -0.0279047 1.2240187 50 Na 1.1962868 -0.0523450 -0.0284148 0.0174858 1.0196987 0.0646335 -0.0091166 0.0279047 1.2240187 51 Na 1.1962868 0.0523450 -0.0284148 -0.0174858 1.0196987 -0.0646335 -0.0091166 -0.0279047 1.2240187 52 Na 1.1962868 -0.0523450 -0.0284148 0.0174858 1.0196987 0.0646335 -0.0091166 0.0279047 1.2240187 53 P 3.8393987 -0.1595266 0.2259985 -0.3428217 4.0177419 0.3653829 0.3988625 -0.1678818 3.0405665 54 P 3.6904948 0.3479360 0.0375574 -0.0304323 4.0011363 0.6006020 0.3933716 -0.1849379 2.9517421 55 P 3.6904948 -0.3479360 0.0375574 0.0304323 4.0011363 -0.6006020 0.3933716 0.1849379 2.9517421 56 P 3.6904948 0.3479360 0.0375574 -0.0304323 4.0011363 0.6006020 0.3933716 -0.1849379 2.9517421 57 P 3.8393987 0.1595266 0.2259985 0.3428217 4.0177419 -0.3653829 0.3988625 0.1678818 3.0405665 58 P 3.6904948 -0.3479360 0.0375574 0.0304323 4.0011363 -0.6006020 0.3933716 0.1849379 2.9517421 59 P 3.8393987 0.1595266 0.2259985 0.3428217 4.0177419 -0.3653829 0.3988625 0.1678818 3.0405665 60 P 3.8393987 -0.1595266 0.2259985 -0.3428217 4.0177419 0.3653829 0.3988625 -0.1678818 3.0405665 61 P 3.7633520 -0.0132786 -0.3073483 -0.1189813 3.7989523 0.5127158 -0.2505706 -0.3506294 2.9782107 62 P 3.6727125 0.3614367 0.2395289 0.0029061 3.8906829 0.4527867 -0.4333587 -0.3143327 2.9590691 63 P 3.6727125 -0.3614367 0.2395289 -0.0029061 3.8906829 -0.4527867 -0.4333587 0.3143327 2.9590691 64 P 3.6727125 0.3614367 0.2395289 0.0029061 3.8906829 0.4527867 -0.4333587 -0.3143327 2.9590691 65 P 3.7633520 0.0132786 -0.3073483 0.1189813 3.7989523 -0.5127158 -0.2505706 0.3506294 2.9782107 66 P 3.7633520 -0.0132786 -0.3073483 -0.1189813 3.7989523 0.5127158 -0.2505706 -0.3506294 2.9782107 67 P 3.7633520 0.0132786 -0.3073483 0.1189813 3.7989523 -0.5127158 -0.2505706 0.3506294 2.9782107 68 P 3.6727125 -0.3614367 0.2395289 -0.0029061 3.8906829 -0.4527867 -0.4333587 0.3143327 2.9590691 69 Er 3.9227325 0.2124250 0.0184953 -0.2270726 3.7074007 -0.0773725 0.0533017 -0.0906237 4.7570731 70 Er 3.9227325 -0.2124250 0.0184953 0.2270726 3.7074007 0.0773725 0.0533017 0.0906237 4.7570731 71 Er 3.9227325 0.2124250 0.0184953 -0.2270726 3.7074007 -0.0773725 0.0533017 -0.0906237 4.7570731 72 Er 3.9227325 -0.2124250 0.0184953 0.2270726 3.7074007 0.0773725 0.0533017 0.0906237 4.7570731 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 83 (2) Compute compressed projector. (2) Use standard solver. (2) 47 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 83 (2) Compute compressed projector. (2) Use standard solver. (2) 47 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 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: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 33), data: (500, 68) @ (68, 33) |-- (250, 215), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 47), data: (592, 83) @ (83, 47) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 47), data: (592, 83) @ (83, 47) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2160 - Time: 4.200 Solver_block: 200 / 2160 - Time: 3.640 Solver_block: 300 / 2160 - Time: 3.665 Solver_block: 400 / 2160 - Time: 3.663 Solver_block: 500 / 2160 - Time: 3.663 Solver_block: 600 / 2160 - Time: 3.660 Solver_block: 700 / 2160 - Time: 3.668 Solver_block: 800 / 2160 - Time: 3.665 Solver_block: 900 / 2160 - Time: 3.654 Solver_block: 1000 / 2160 - Time: 3.668 Solver_block: 1100 / 2160 - Time: 3.655 Solver_block: 1200 / 2160 - Time: 3.665 Solver_block: 1300 / 2160 - Time: 3.677 Solver_block: 1400 / 2160 - Time: 3.669 Solver_block: 1500 / 2160 - Time: 3.662 Solver_block: 1600 / 2160 - Time: 3.660 Solver_block: 1700 / 2160 - Time: 3.662 Solver_block: 1800 / 2160 - Time: 3.662 Solver_block: 1900 / 2160 - Time: 3.675 Solver_block: 2000 / 2160 - Time: 3.683 Solver_block: 2100 / 2160 - Time: 3.664 Solver_block: 2160 / 2160 - Time: 2.336 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 82.372 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 83 (2) Compute compressed projector. (2) Use standard solver. (2) 47 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 219 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 83 (2) Compute compressed projector. (2) Use standard solver. (2) 47 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 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: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 33), data: (500, 68) @ (68, 33) |-- (250, 215), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 47), data: (592, 83) @ (83, 47) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 47), data: (592, 83) @ (83, 47) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), 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 00:53:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:53:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.158604810001615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): 1 O 0.60680440378530 0.34911510823772 0.39837634750717 15.999 2 O 0.39319559621470 0.84911510823772 0.10162365249282 15.999 3 O 0.39319559621470 0.65088489176228 0.60162365249283 15.999 4 O 0.60680440378530 0.15088489176228 0.89837634750717 15.999 5 O 0.85139713061170 0.33528296065768 0.08478358874777 15.999 6 O 0.14860286938830 0.83528296065768 0.41521641125223 15.999 7 O 0.14860286938830 0.66471703934232 0.91521641125223 15.999 8 O 0.85139713061170 0.16471703934232 0.58478358874777 15.999 9 O 0.70716175206656 0.16792617411922 0.29883085848788 15.999 10 O 0.29283824793344 0.66792617411922 0.20116914151212 15.999 11 O 0.29283824793344 0.83207382588078 0.70116914151212 15.999 12 O 0.70716175206656 0.33207382588078 0.79883085848788 15.999 13 O 0.30363916302692 0.11302922080676 0.09184614793253 15.999 14 O 0.69636083697308 0.61302922080676 0.40815385206747 15.999 15 O 0.69636083697308 0.88697077919324 0.90815385206747 15.999 16 O 0.30363916302692 0.38697077919324 0.59184614793253 15.999 17 O 0.86947581833195 0.38650976224478 0.29896624902907 15.999 18 O 0.16295796141349 0.21161221208816 0.39254688286497 15.999 19 O 0.13052418166805 0.88650976224478 0.20103375097093 15.999 20 O 0.86947581833195 0.11349023775522 0.79896624902907 15.999 21 O 0.97580390596263 0.13292705428375 0.14838992680831 15.999 22 O 0.02419609403738 0.63292705428375 0.35161007319169 15.999 23 O 0.02419609403738 0.86707294571625 0.85161007319169 15.999 24 O 0.97580390596263 0.36707294571625 0.64838992680831 15.999 25 O 0.14291948050393 0.47973832061962 0.86244681232591 15.999 26 O 0.85708051949607 0.97973832061962 0.63755318767409 15.999 27 O 0.85708051949607 0.52026167938038 0.13755318767409 15.999 28 O 0.14291948050393 0.02026167938038 0.36244681232591 15.999 29 O 0.42926865486235 0.01223015266788 0.70953087421362 15.999 30 O 0.57073134513765 0.51223015266788 0.79046912578638 15.999 31 O 0.57073134513765 0.98776984733212 0.29046912578639 15.999 32 O 0.42926865486235 0.48776984733212 0.20953087421361 15.999 33 O 0.40729352341783 0.37191589772266 0.83851197437203 15.999 34 O 0.59270647658217 0.87191589772266 0.66148802562797 15.999 35 O 0.59270647658217 0.62808410227734 0.16148802562797 15.999 36 O 0.40729352341783 0.12808410227734 0.33851197437203 15.999 37 O 0.21500875197552 0.08195478114930 0.79886262088982 15.999 38 O 0.78499124802448 0.58195478114930 0.70113737911018 15.999 39 O 0.78499124802448 0.91804521885070 0.20113737911018 15.999 40 O 0.21500875197552 0.41804521885070 0.29886262088983 15.999 41 O 0.27726043859998 0.18885422062485 0.64489414227543 15.999 42 O 0.72273956140002 0.68885422062485 0.85510585772457 15.999 43 O 0.72273956140002 0.81114577937515 0.35510585772457 15.999 44 O 0.27726043859998 0.31114577937515 0.14489414227543 15.999 45 O 0.16295796141349 0.28838778791184 0.89254688286497 15.999 46 O 0.83704203858651 0.78838778791184 0.60745311713503 15.999 47 O 0.83704203858651 0.71161221208816 0.10745311713503 15.999 48 O 0.13052418166805 0.61349023775522 0.70103375097093 15.999 49 Na 0.44010044955160 0.77558332570973 0.93906931305450 22.990 50 Na 0.44010044955160 0.72441667429027 0.43906931305450 22.990 51 Na 0.55989955044840 0.22441667429027 0.06093068694550 22.990 52 Na 0.55989955044840 0.27558332570973 0.56093068694550 22.990 53 P 0.60824096155773 0.88409193354616 0.23579308229923 30.974 54 P 0.50650274509164 0.60449414697403 0.25579061599268 30.974 55 P 0.50650274509164 0.89550585302597 0.75579061599268 30.974 56 P 0.49349725490836 0.39550585302597 0.74420938400732 30.974 57 P 0.39175903844227 0.38409193354616 0.26420691770077 30.974 58 P 0.49349725490836 0.10449414697403 0.24420938400732 30.974 59 P 0.60824096155773 0.61590806645384 0.73579308229923 30.974 60 P 0.39175903844227 0.11590806645384 0.76420691770077 30.974 61 P 0.15223317068859 0.37134341983031 0.80195085998012 30.974 62 P 0.06193087749741 0.90694498976044 0.29573556631218 30.974 63 P 0.06193087749741 0.59305501023956 0.79573556631218 30.974 64 P 0.93806912250259 0.09305501023956 0.70426443368782 30.974 65 P 0.84776682931141 0.87134341983031 0.69804914001988 30.974 66 P 0.84776682931141 0.62865658016969 0.19804914001988 30.974 67 P 0.15223317068859 0.12865658016969 0.30195085998012 30.974 68 P 0.93806912250259 0.40694498976044 0.20426443368782 30.974 69 Er 0.96485281357512 0.27968797477054 0.47742467153645 167.259 70 Er 0.03514718642488 0.77968797477054 0.02257532846355 167.259 71 Er 0.03514718642488 0.72031202522946 0.52257532846355 167.259 72 Er 0.96485281357512 0.22031202522946 0.97742467153645 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.317209620003229 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): 1 O 0.30340220189265 0.34911510823772 0.39837634750717 15.999 > 1 2 O 0.80340220189265 0.34911510823772 0.39837634750717 15.999 > 1 3 O 0.19659779810735 0.84911510823772 0.10162365249282 15.999 > 3 4 O 0.69659779810735 0.84911510823772 0.10162365249282 15.999 > 3 5 O 0.19659779810735 0.65088489176228 0.60162365249283 15.999 > 5 6 O 0.69659779810735 0.65088489176228 0.60162365249283 15.999 > 5 7 O 0.30340220189265 0.15088489176228 0.89837634750717 15.999 > 7 8 O 0.80340220189265 0.15088489176228 0.89837634750717 15.999 > 7 9 O 0.42569856530585 0.33528296065768 0.08478358874777 15.999 > 9 10 O 0.92569856530585 0.33528296065768 0.08478358874777 15.999 > 9 11 O 0.07430143469415 0.83528296065768 0.41521641125223 15.999 > 11 12 O 0.57430143469415 0.83528296065768 0.41521641125223 15.999 > 11 13 O 0.07430143469415 0.66471703934232 0.91521641125223 15.999 > 13 14 O 0.57430143469415 0.66471703934232 0.91521641125223 15.999 > 13 15 O 0.42569856530585 0.16471703934232 0.58478358874777 15.999 > 15 16 O 0.92569856530585 0.16471703934232 0.58478358874777 15.999 > 15 17 O 0.35358087603328 0.16792617411922 0.29883085848788 15.999 > 17 18 O 0.85358087603328 0.16792617411922 0.29883085848788 15.999 > 17 19 O 0.14641912396672 0.66792617411922 0.20116914151212 15.999 > 19 20 O 0.64641912396672 0.66792617411922 0.20116914151212 15.999 > 19 21 O 0.14641912396672 0.83207382588078 0.70116914151212 15.999 > 21 22 O 0.64641912396672 0.83207382588078 0.70116914151212 15.999 > 21 23 O 0.35358087603328 0.33207382588078 0.79883085848788 15.999 > 23 24 O 0.85358087603328 0.33207382588078 0.79883085848788 15.999 > 23 25 O 0.15181958151346 0.11302922080676 0.09184614793253 15.999 > 25 26 O 0.65181958151346 0.11302922080676 0.09184614793253 15.999 > 25 27 O 0.34818041848654 0.61302922080676 0.40815385206747 15.999 > 27 28 O 0.84818041848654 0.61302922080676 0.40815385206747 15.999 > 27 29 O 0.34818041848654 0.88697077919324 0.90815385206747 15.999 > 29 30 O 0.84818041848654 0.88697077919324 0.90815385206747 15.999 > 29 31 O 0.15181958151346 0.38697077919324 0.59184614793253 15.999 > 31 32 O 0.65181958151346 0.38697077919324 0.59184614793253 15.999 > 31 33 O 0.43473790916597 0.38650976224478 0.29896624902907 15.999 > 33 34 O 0.93473790916597 0.38650976224478 0.29896624902907 15.999 > 33 35 O 0.08147898070675 0.21161221208816 0.39254688286497 15.999 > 35 36 O 0.58147898070675 0.21161221208816 0.39254688286497 15.999 > 35 37 O 0.06526209083403 0.88650976224478 0.20103375097093 15.999 > 37 38 O 0.56526209083403 0.88650976224478 0.20103375097093 15.999 > 37 39 O 0.43473790916597 0.11349023775522 0.79896624902907 15.999 > 39 40 O 0.93473790916597 0.11349023775522 0.79896624902907 15.999 > 39 41 O 0.48790195298131 0.13292705428375 0.14838992680831 15.999 > 41 42 O 0.98790195298131 0.13292705428375 0.14838992680831 15.999 > 41 43 O 0.01209804701869 0.63292705428375 0.35161007319169 15.999 > 43 44 O 0.51209804701869 0.63292705428375 0.35161007319169 15.999 > 43 45 O 0.01209804701869 0.86707294571625 0.85161007319169 15.999 > 45 46 O 0.51209804701869 0.86707294571625 0.85161007319169 15.999 > 45 47 O 0.48790195298131 0.36707294571625 0.64838992680831 15.999 > 47 48 O 0.98790195298131 0.36707294571625 0.64838992680831 15.999 > 47 49 O 0.07145974025196 0.47973832061962 0.86244681232591 15.999 > 49 50 O 0.57145974025196 0.47973832061962 0.86244681232591 15.999 > 49 51 O 0.42854025974804 0.97973832061962 0.63755318767409 15.999 > 51 52 O 0.92854025974804 0.97973832061962 0.63755318767409 15.999 > 51 53 O 0.42854025974804 0.52026167938038 0.13755318767409 15.999 > 53 54 O 0.92854025974804 0.52026167938038 0.13755318767409 15.999 > 53 55 O 0.07145974025196 0.02026167938038 0.36244681232591 15.999 > 55 56 O 0.57145974025196 0.02026167938038 0.36244681232591 15.999 > 55 57 O 0.21463432743118 0.01223015266788 0.70953087421362 15.999 > 57 58 O 0.71463432743118 0.01223015266788 0.70953087421362 15.999 > 57 59 O 0.28536567256882 0.51223015266788 0.79046912578638 15.999 > 59 60 O 0.78536567256882 0.51223015266788 0.79046912578638 15.999 > 59 61 O 0.28536567256882 0.98776984733212 0.29046912578639 15.999 > 61 62 O 0.78536567256882 0.98776984733212 0.29046912578639 15.999 > 61 63 O 0.21463432743118 0.48776984733212 0.20953087421361 15.999 > 63 64 O 0.71463432743118 0.48776984733212 0.20953087421361 15.999 > 63 65 O 0.20364676170891 0.37191589772266 0.83851197437203 15.999 > 65 66 O 0.70364676170891 0.37191589772266 0.83851197437203 15.999 > 65 67 O 0.29635323829109 0.87191589772266 0.66148802562797 15.999 > 67 68 O 0.79635323829109 0.87191589772266 0.66148802562797 15.999 > 67 69 O 0.29635323829109 0.62808410227734 0.16148802562797 15.999 > 69 70 O 0.79635323829109 0.62808410227734 0.16148802562797 15.999 > 69 71 O 0.20364676170891 0.12808410227734 0.33851197437203 15.999 > 71 72 O 0.70364676170891 0.12808410227734 0.33851197437203 15.999 > 71 73 O 0.10750437598776 0.08195478114930 0.79886262088982 15.999 > 73 74 O 0.60750437598776 0.08195478114930 0.79886262088982 15.999 > 73 75 O 0.39249562401224 0.58195478114930 0.70113737911018 15.999 > 75 76 O 0.89249562401224 0.58195478114930 0.70113737911018 15.999 > 75 77 O 0.39249562401224 0.91804521885070 0.20113737911018 15.999 > 77 78 O 0.89249562401224 0.91804521885070 0.20113737911018 15.999 > 77 79 O 0.10750437598776 0.41804521885070 0.29886262088983 15.999 > 79 80 O 0.60750437598776 0.41804521885070 0.29886262088983 15.999 > 79 81 O 0.13863021929999 0.18885422062485 0.64489414227543 15.999 > 81 82 O 0.63863021929999 0.18885422062485 0.64489414227543 15.999 > 81 83 O 0.36136978070001 0.68885422062485 0.85510585772457 15.999 > 83 84 O 0.86136978070001 0.68885422062485 0.85510585772457 15.999 > 83 85 O 0.36136978070001 0.81114577937515 0.35510585772457 15.999 > 85 86 O 0.86136978070001 0.81114577937515 0.35510585772457 15.999 > 85 87 O 0.13863021929999 0.31114577937515 0.14489414227543 15.999 > 87 88 O 0.63863021929999 0.31114577937515 0.14489414227543 15.999 > 87 89 O 0.08147898070675 0.28838778791184 0.89254688286497 15.999 > 89 90 O 0.58147898070675 0.28838778791184 0.89254688286497 15.999 > 89 91 O 0.41852101929325 0.78838778791184 0.60745311713503 15.999 > 91 92 O 0.91852101929325 0.78838778791184 0.60745311713503 15.999 > 91 93 O 0.41852101929325 0.71161221208816 0.10745311713503 15.999 > 93 94 O 0.91852101929325 0.71161221208816 0.10745311713503 15.999 > 93 95 O 0.06526209083403 0.61349023775522 0.70103375097093 15.999 > 95 96 O 0.56526209083403 0.61349023775522 0.70103375097093 15.999 > 95 97 Na 0.22005022477580 0.77558332570973 0.93906931305450 22.990 > 97 98 Na 0.72005022477580 0.77558332570973 0.93906931305450 22.990 > 97 99 Na 0.22005022477580 0.72441667429027 0.43906931305450 22.990 > 99 100 Na 0.72005022477580 0.72441667429027 0.43906931305450 22.990 > 99 101 Na 0.27994977522420 0.22441667429027 0.06093068694550 22.990 > 101 102 Na 0.77994977522420 0.22441667429027 0.06093068694550 22.990 > 101 103 Na 0.27994977522420 0.27558332570973 0.56093068694550 22.990 > 103 104 Na 0.77994977522420 0.27558332570973 0.56093068694550 22.990 > 103 105 P 0.30412048077886 0.88409193354616 0.23579308229923 30.974 > 105 106 P 0.80412048077886 0.88409193354616 0.23579308229923 30.974 > 105 107 P 0.25325137254582 0.60449414697403 0.25579061599268 30.974 > 107 108 P 0.75325137254582 0.60449414697403 0.25579061599268 30.974 > 107 109 P 0.25325137254582 0.89550585302597 0.75579061599268 30.974 > 109 110 P 0.75325137254582 0.89550585302597 0.75579061599268 30.974 > 109 111 P 0.24674862745418 0.39550585302597 0.74420938400732 30.974 > 111 112 P 0.74674862745418 0.39550585302597 0.74420938400732 30.974 > 111 113 P 0.19587951922114 0.38409193354616 0.26420691770077 30.974 > 113 114 P 0.69587951922114 0.38409193354616 0.26420691770077 30.974 > 113 115 P 0.24674862745418 0.10449414697403 0.24420938400732 30.974 > 115 116 P 0.74674862745418 0.10449414697403 0.24420938400732 30.974 > 115 117 P 0.30412048077886 0.61590806645384 0.73579308229923 30.974 > 117 118 P 0.80412048077886 0.61590806645384 0.73579308229923 30.974 > 117 119 P 0.19587951922114 0.11590806645384 0.76420691770077 30.974 > 119 120 P 0.69587951922114 0.11590806645384 0.76420691770077 30.974 > 119 121 P 0.07611658534430 0.37134341983031 0.80195085998012 30.974 > 121 122 P 0.57611658534430 0.37134341983031 0.80195085998012 30.974 > 121 123 P 0.03096543874871 0.90694498976044 0.29573556631218 30.974 > 123 124 P 0.53096543874871 0.90694498976044 0.29573556631218 30.974 > 123 125 P 0.03096543874871 0.59305501023956 0.79573556631218 30.974 > 125 126 P 0.53096543874871 0.59305501023956 0.79573556631218 30.974 > 125 127 P 0.46903456125129 0.09305501023956 0.70426443368782 30.974 > 127 128 P 0.96903456125129 0.09305501023956 0.70426443368782 30.974 > 127 129 P 0.42388341465570 0.87134341983031 0.69804914001988 30.974 > 129 130 P 0.92388341465570 0.87134341983031 0.69804914001988 30.974 > 129 131 P 0.42388341465570 0.62865658016969 0.19804914001988 30.974 > 131 132 P 0.92388341465570 0.62865658016969 0.19804914001988 30.974 > 131 133 P 0.07611658534430 0.12865658016969 0.30195085998012 30.974 > 133 134 P 0.57611658534430 0.12865658016969 0.30195085998012 30.974 > 133 135 P 0.46903456125129 0.40694498976044 0.20426443368782 30.974 > 135 136 P 0.96903456125129 0.40694498976044 0.20426443368782 30.974 > 135 137 Er 0.48242640678756 0.27968797477054 0.47742467153645 167.259 > 137 138 Er 0.98242640678756 0.27968797477054 0.47742467153645 167.259 > 137 139 Er 0.01757359321244 0.77968797477054 0.02257532846355 167.259 > 139 140 Er 0.51757359321244 0.77968797477054 0.02257532846355 167.259 > 139 141 Er 0.01757359321244 0.72031202522946 0.52257532846355 167.259 > 141 142 Er 0.51757359321244 0.72031202522946 0.52257532846355 167.259 > 141 143 Er 0.48242640678756 0.22031202522946 0.97742467153645 167.259 > 143 144 Er 0.98242640678756 0.22031202522946 0.97742467153645 167.259 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7457395 0.0000000 0.0109888 0.0000000 2.7509233 0.0000000 0.0109908 0.0000000 2.6930864 -------------------------- Born effective charges -------------------------- 1 O -1.6931447 0.2788505 -0.6226334 0.3488718 -1.3120981 0.5046673 -0.6109984 0.3475719 -1.7569692 2 O -1.6931447 -0.2788505 -0.6226334 -0.3488718 -1.3120981 -0.5046673 -0.6109984 -0.3475719 -1.7569692 3 O -1.6931447 0.2788505 -0.6226334 0.3488718 -1.3120981 0.5046673 -0.6109984 0.3475719 -1.7569692 4 O -1.6931447 -0.2788505 -0.6226334 -0.3488718 -1.3120981 -0.5046673 -0.6109984 -0.3475719 -1.7569692 5 O -1.2739827 0.2891838 0.1887515 0.2743515 -1.5911728 -0.5464431 0.2991385 -0.6293074 -1.6635126 6 O -1.2739827 -0.2891838 0.1887515 -0.2743515 -1.5911728 0.5464431 0.2991385 0.6293074 -1.6635126 7 O -1.2739827 0.2891838 0.1887515 0.2743515 -1.5911728 -0.5464431 0.2991385 -0.6293074 -1.6635126 8 O -1.2739827 -0.2891838 0.1887515 -0.2743515 -1.5911728 0.5464431 0.2991385 0.6293074 -1.6635126 9 O -1.7189267 -0.5139200 -0.4929608 -0.5137172 -1.6141274 -0.3990514 -0.4760895 -0.5117070 -1.5079546 10 O -1.7189267 0.5139200 -0.4929608 0.5137172 -1.6141274 0.3990514 -0.4760895 0.5117070 -1.5079546 11 O -1.7189267 -0.5139200 -0.4929608 -0.5137172 -1.6141274 -0.3990514 -0.4760895 -0.5117070 -1.5079546 12 O -1.7189267 0.5139200 -0.4929608 0.5137172 -1.6141274 0.3990514 -0.4760895 0.5117070 -1.5079546 13 O -1.3096525 0.2193448 -0.3319671 0.2470163 -1.3104870 0.4925241 -0.4086713 0.2698530 -1.8415548 14 O -1.3096525 -0.2193448 -0.3319671 -0.2470163 -1.3104870 -0.4925241 -0.4086713 -0.2698530 -1.8415548 15 O -1.3096525 0.2193448 -0.3319671 0.2470163 -1.3104870 0.4925241 -0.4086713 0.2698530 -1.8415548 16 O -1.3096525 -0.2193448 -0.3319671 -0.2470163 -1.3104870 -0.4925241 -0.4086713 -0.2698530 -1.8415548 17 O -1.6715240 -0.2681074 0.6677537 -0.3347571 -1.4465433 0.6154215 0.6366160 0.3938308 -1.6922925 18 O -1.6536221 0.4730285 0.4803135 0.4309180 -1.6311314 -0.4082189 0.4808506 -0.5389709 -1.4947593 19 O -1.6715240 0.2681074 0.6677537 0.3347571 -1.4465433 -0.6154215 0.6366160 -0.3938308 -1.6922925 20 O -1.6715240 0.2681074 0.6677537 0.3347571 -1.4465433 -0.6154215 0.6366160 -0.3938308 -1.6922925 21 O -1.2153084 -0.0918450 0.1833067 -0.1462879 -1.2637744 0.6143970 0.1979967 0.2636354 -2.0597067 22 O -1.2153084 0.0918450 0.1833067 0.1462879 -1.2637744 -0.6143970 0.1979967 -0.2636354 -2.0597067 23 O -1.2153084 -0.0918450 0.1833067 -0.1462879 -1.2637744 0.6143970 0.1979967 0.2636354 -2.0597067 24 O -1.2153084 0.0918450 0.1833067 0.1462879 -1.2637744 -0.6143970 0.1979967 -0.2636354 -2.0597067 25 O -1.0696868 0.7435412 0.0756300 0.4149166 -3.1838639 0.0273572 0.1291166 0.0305975 -0.9700754 26 O -1.0696868 -0.7435412 0.0756300 -0.4149166 -3.1838639 -0.0273572 0.1291166 -0.0305975 -0.9700754 27 O -1.0696868 0.7435412 0.0756300 0.4149166 -3.1838639 0.0273572 0.1291166 0.0305975 -0.9700754 28 O -1.0696868 -0.7435412 0.0756300 -0.4149166 -3.1838639 -0.0273572 0.1291166 -0.0305975 -0.9700754 29 O -1.2461707 0.9209286 -0.0039676 0.7216681 -3.3386973 -0.0078864 -0.0515706 -0.0514131 -0.8807028 30 O -1.2461707 -0.9209286 -0.0039676 -0.7216681 -3.3386973 0.0078864 -0.0515706 0.0514131 -0.8807028 31 O -1.2461707 0.9209286 -0.0039676 0.7216681 -3.3386973 -0.0078864 -0.0515706 -0.0514131 -0.8807028 32 O -1.2461707 -0.9209286 -0.0039676 -0.7216681 -3.3386973 0.0078864 -0.0515706 0.0514131 -0.8807028 33 O -3.0100590 -0.2329351 0.3753385 -0.1498174 -0.9790129 -0.0080431 0.2242558 0.1256137 -1.1383306 34 O -3.0100590 0.2329351 0.3753385 0.1498174 -0.9790129 0.0080431 0.2242558 -0.1256137 -1.1383306 35 O -3.0100590 -0.2329351 0.3753385 -0.1498174 -0.9790129 -0.0080431 0.2242558 0.1256137 -1.1383306 36 O -3.0100590 0.2329351 0.3753385 0.1498174 -0.9790129 0.0080431 0.2242558 -0.1256137 -1.1383306 37 O -3.0149673 -0.2385070 -0.4449930 -0.1849166 -1.0470800 -0.0346461 -0.2976949 0.1342417 -1.0285898 38 O -3.0149673 0.2385070 -0.4449930 0.1849166 -1.0470800 0.0346461 -0.2976949 -0.1342417 -1.0285898 39 O -3.0149673 -0.2385070 -0.4449930 -0.1849166 -1.0470800 -0.0346461 -0.2976949 0.1342417 -1.0285898 40 O -3.0149673 0.2385070 -0.4449930 0.1849166 -1.0470800 0.0346461 -0.2976949 -0.1342417 -1.0285898 41 O -1.2079324 0.1268452 -0.2603887 0.1591039 -1.7176243 0.6534137 -0.2754395 0.6684227 -1.8762319 42 O -1.2079324 -0.1268452 -0.2603887 -0.1591039 -1.7176243 -0.6534137 -0.2754395 -0.6684227 -1.8762319 43 O -1.2079324 0.1268452 -0.2603887 0.1591039 -1.7176243 0.6534137 -0.2754395 0.6684227 -1.8762319 44 O -1.2079324 -0.1268452 -0.2603887 -0.1591039 -1.7176243 -0.6534137 -0.2754395 -0.6684227 -1.8762319 45 O -1.6536221 -0.4730285 0.4803135 -0.4309180 -1.6311314 0.4082189 0.4808506 0.5389709 -1.4947593 46 O -1.6536221 0.4730285 0.4803135 0.4309180 -1.6311314 -0.4082189 0.4808506 -0.5389709 -1.4947593 47 O -1.6536221 -0.4730285 0.4803135 -0.4309180 -1.6311314 0.4082189 0.4808506 0.5389709 -1.4947593 48 O -1.6715240 -0.2681074 0.6677537 -0.3347571 -1.4465433 0.6154215 0.6366160 0.3938308 -1.6922925 49 Na 1.1962868 0.0523450 -0.0284148 -0.0174858 1.0196987 -0.0646335 -0.0091166 -0.0279047 1.2240187 50 Na 1.1962868 -0.0523450 -0.0284148 0.0174858 1.0196987 0.0646335 -0.0091166 0.0279047 1.2240187 51 Na 1.1962868 0.0523450 -0.0284148 -0.0174858 1.0196987 -0.0646335 -0.0091166 -0.0279047 1.2240187 52 Na 1.1962868 -0.0523450 -0.0284148 0.0174858 1.0196987 0.0646335 -0.0091166 0.0279047 1.2240187 53 P 3.8393987 -0.1595266 0.2259985 -0.3428217 4.0177419 0.3653829 0.3988625 -0.1678818 3.0405665 54 P 3.6904948 0.3479360 0.0375574 -0.0304323 4.0011363 0.6006020 0.3933716 -0.1849379 2.9517421 55 P 3.6904948 -0.3479360 0.0375574 0.0304323 4.0011363 -0.6006020 0.3933716 0.1849379 2.9517421 56 P 3.6904948 0.3479360 0.0375574 -0.0304323 4.0011363 0.6006020 0.3933716 -0.1849379 2.9517421 57 P 3.8393987 0.1595266 0.2259985 0.3428217 4.0177419 -0.3653829 0.3988625 0.1678818 3.0405665 58 P 3.6904948 -0.3479360 0.0375574 0.0304323 4.0011363 -0.6006020 0.3933716 0.1849379 2.9517421 59 P 3.8393987 0.1595266 0.2259985 0.3428217 4.0177419 -0.3653829 0.3988625 0.1678818 3.0405665 60 P 3.8393987 -0.1595266 0.2259985 -0.3428217 4.0177419 0.3653829 0.3988625 -0.1678818 3.0405665 61 P 3.7633520 -0.0132786 -0.3073483 -0.1189813 3.7989523 0.5127158 -0.2505706 -0.3506294 2.9782107 62 P 3.6727125 0.3614367 0.2395289 0.0029061 3.8906829 0.4527867 -0.4333587 -0.3143327 2.9590691 63 P 3.6727125 -0.3614367 0.2395289 -0.0029061 3.8906829 -0.4527867 -0.4333587 0.3143327 2.9590691 64 P 3.6727125 0.3614367 0.2395289 0.0029061 3.8906829 0.4527867 -0.4333587 -0.3143327 2.9590691 65 P 3.7633520 0.0132786 -0.3073483 0.1189813 3.7989523 -0.5127158 -0.2505706 0.3506294 2.9782107 66 P 3.7633520 -0.0132786 -0.3073483 -0.1189813 3.7989523 0.5127158 -0.2505706 -0.3506294 2.9782107 67 P 3.7633520 0.0132786 -0.3073483 0.1189813 3.7989523 -0.5127158 -0.2505706 0.3506294 2.9782107 68 P 3.6727125 -0.3614367 0.2395289 -0.0029061 3.8906829 -0.4527867 -0.4333587 0.3143327 2.9590691 69 Er 3.9227325 0.2124250 0.0184953 -0.2270726 3.7074007 -0.0773725 0.0533017 -0.0906237 4.7570731 70 Er 3.9227325 -0.2124250 0.0184953 0.2270726 3.7074007 0.0773725 0.0533017 0.0906237 4.7570731 71 Er 3.9227325 0.2124250 0.0184953 -0.2270726 3.7074007 -0.0773725 0.0533017 -0.0906237 4.7570731 72 Er 3.9227325 -0.2124250 0.0184953 0.2270726 3.7074007 0.0773725 0.0533017 0.0906237 4.7570731 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 25, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 57, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 105, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 107, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 123, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 137, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (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 00:55:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:55:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.158604810001615 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): 1 O 0.60680440378530 0.34911510823772 0.39837634750717 15.999 2 O 0.39319559621470 0.84911510823772 0.10162365249282 15.999 3 O 0.39319559621470 0.65088489176228 0.60162365249283 15.999 4 O 0.60680440378530 0.15088489176228 0.89837634750717 15.999 5 O 0.85139713061170 0.33528296065768 0.08478358874777 15.999 6 O 0.14860286938830 0.83528296065768 0.41521641125223 15.999 7 O 0.14860286938830 0.66471703934232 0.91521641125223 15.999 8 O 0.85139713061170 0.16471703934232 0.58478358874777 15.999 9 O 0.70716175206656 0.16792617411922 0.29883085848788 15.999 10 O 0.29283824793344 0.66792617411922 0.20116914151212 15.999 11 O 0.29283824793344 0.83207382588078 0.70116914151212 15.999 12 O 0.70716175206656 0.33207382588078 0.79883085848788 15.999 13 O 0.30363916302692 0.11302922080676 0.09184614793253 15.999 14 O 0.69636083697308 0.61302922080676 0.40815385206747 15.999 15 O 0.69636083697308 0.88697077919324 0.90815385206747 15.999 16 O 0.30363916302692 0.38697077919324 0.59184614793253 15.999 17 O 0.86947581833195 0.38650976224478 0.29896624902907 15.999 18 O 0.16295796141349 0.21161221208816 0.39254688286497 15.999 19 O 0.13052418166805 0.88650976224478 0.20103375097093 15.999 20 O 0.86947581833195 0.11349023775522 0.79896624902907 15.999 21 O 0.97580390596263 0.13292705428375 0.14838992680831 15.999 22 O 0.02419609403738 0.63292705428375 0.35161007319169 15.999 23 O 0.02419609403738 0.86707294571625 0.85161007319169 15.999 24 O 0.97580390596263 0.36707294571625 0.64838992680831 15.999 25 O 0.14291948050393 0.47973832061962 0.86244681232591 15.999 26 O 0.85708051949607 0.97973832061962 0.63755318767409 15.999 27 O 0.85708051949607 0.52026167938038 0.13755318767409 15.999 28 O 0.14291948050393 0.02026167938038 0.36244681232591 15.999 29 O 0.42926865486235 0.01223015266788 0.70953087421362 15.999 30 O 0.57073134513765 0.51223015266788 0.79046912578638 15.999 31 O 0.57073134513765 0.98776984733212 0.29046912578639 15.999 32 O 0.42926865486235 0.48776984733212 0.20953087421361 15.999 33 O 0.40729352341783 0.37191589772266 0.83851197437203 15.999 34 O 0.59270647658217 0.87191589772266 0.66148802562797 15.999 35 O 0.59270647658217 0.62808410227734 0.16148802562797 15.999 36 O 0.40729352341783 0.12808410227734 0.33851197437203 15.999 37 O 0.21500875197552 0.08195478114930 0.79886262088982 15.999 38 O 0.78499124802448 0.58195478114930 0.70113737911018 15.999 39 O 0.78499124802448 0.91804521885070 0.20113737911018 15.999 40 O 0.21500875197552 0.41804521885070 0.29886262088983 15.999 41 O 0.27726043859998 0.18885422062485 0.64489414227543 15.999 42 O 0.72273956140002 0.68885422062485 0.85510585772457 15.999 43 O 0.72273956140002 0.81114577937515 0.35510585772457 15.999 44 O 0.27726043859998 0.31114577937515 0.14489414227543 15.999 45 O 0.16295796141349 0.28838778791184 0.89254688286497 15.999 46 O 0.83704203858651 0.78838778791184 0.60745311713503 15.999 47 O 0.83704203858651 0.71161221208816 0.10745311713503 15.999 48 O 0.13052418166805 0.61349023775522 0.70103375097093 15.999 49 Na 0.44010044955160 0.77558332570973 0.93906931305450 22.990 50 Na 0.44010044955160 0.72441667429027 0.43906931305450 22.990 51 Na 0.55989955044840 0.22441667429027 0.06093068694550 22.990 52 Na 0.55989955044840 0.27558332570973 0.56093068694550 22.990 53 P 0.60824096155773 0.88409193354616 0.23579308229923 30.974 54 P 0.50650274509164 0.60449414697403 0.25579061599268 30.974 55 P 0.50650274509164 0.89550585302597 0.75579061599268 30.974 56 P 0.49349725490836 0.39550585302597 0.74420938400732 30.974 57 P 0.39175903844227 0.38409193354616 0.26420691770077 30.974 58 P 0.49349725490836 0.10449414697403 0.24420938400732 30.974 59 P 0.60824096155773 0.61590806645384 0.73579308229923 30.974 60 P 0.39175903844227 0.11590806645384 0.76420691770077 30.974 61 P 0.15223317068859 0.37134341983031 0.80195085998012 30.974 62 P 0.06193087749741 0.90694498976044 0.29573556631218 30.974 63 P 0.06193087749741 0.59305501023956 0.79573556631218 30.974 64 P 0.93806912250259 0.09305501023956 0.70426443368782 30.974 65 P 0.84776682931141 0.87134341983031 0.69804914001988 30.974 66 P 0.84776682931141 0.62865658016969 0.19804914001988 30.974 67 P 0.15223317068859 0.12865658016969 0.30195085998012 30.974 68 P 0.93806912250259 0.40694498976044 0.20426443368782 30.974 69 Er 0.96485281357512 0.27968797477054 0.47742467153645 167.259 70 Er 0.03514718642488 0.77968797477054 0.02257532846355 167.259 71 Er 0.03514718642488 0.72031202522946 0.52257532846355 167.259 72 Er 0.96485281357512 0.22031202522946 0.97742467153645 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.317209620003229 0.000000000000000 0.000000000000000 b 0.000000000000000 13.003758169999998 0.000000000000000 c -7.032866009782214 0.000000000000000 9.644351255515936 Atomic positions (fractional): 1 O 0.30340220189265 0.34911510823772 0.39837634750717 15.999 > 1 2 O 0.80340220189265 0.34911510823772 0.39837634750717 15.999 > 1 3 O 0.19659779810735 0.84911510823772 0.10162365249282 15.999 > 3 4 O 0.69659779810735 0.84911510823772 0.10162365249282 15.999 > 3 5 O 0.19659779810735 0.65088489176228 0.60162365249283 15.999 > 5 6 O 0.69659779810735 0.65088489176228 0.60162365249283 15.999 > 5 7 O 0.30340220189265 0.15088489176228 0.89837634750717 15.999 > 7 8 O 0.80340220189265 0.15088489176228 0.89837634750717 15.999 > 7 9 O 0.42569856530585 0.33528296065768 0.08478358874777 15.999 > 9 10 O 0.92569856530585 0.33528296065768 0.08478358874777 15.999 > 9 11 O 0.07430143469415 0.83528296065768 0.41521641125223 15.999 > 11 12 O 0.57430143469415 0.83528296065768 0.41521641125223 15.999 > 11 13 O 0.07430143469415 0.66471703934232 0.91521641125223 15.999 > 13 14 O 0.57430143469415 0.66471703934232 0.91521641125223 15.999 > 13 15 O 0.42569856530585 0.16471703934232 0.58478358874777 15.999 > 15 16 O 0.92569856530585 0.16471703934232 0.58478358874777 15.999 > 15 17 O 0.35358087603328 0.16792617411922 0.29883085848788 15.999 > 17 18 O 0.85358087603328 0.16792617411922 0.29883085848788 15.999 > 17 19 O 0.14641912396672 0.66792617411922 0.20116914151212 15.999 > 19 20 O 0.64641912396672 0.66792617411922 0.20116914151212 15.999 > 19 21 O 0.14641912396672 0.83207382588078 0.70116914151212 15.999 > 21 22 O 0.64641912396672 0.83207382588078 0.70116914151212 15.999 > 21 23 O 0.35358087603328 0.33207382588078 0.79883085848788 15.999 > 23 24 O 0.85358087603328 0.33207382588078 0.79883085848788 15.999 > 23 25 O 0.15181958151346 0.11302922080676 0.09184614793253 15.999 > 25 26 O 0.65181958151346 0.11302922080676 0.09184614793253 15.999 > 25 27 O 0.34818041848654 0.61302922080676 0.40815385206747 15.999 > 27 28 O 0.84818041848654 0.61302922080676 0.40815385206747 15.999 > 27 29 O 0.34818041848654 0.88697077919324 0.90815385206747 15.999 > 29 30 O 0.84818041848654 0.88697077919324 0.90815385206747 15.999 > 29 31 O 0.15181958151346 0.38697077919324 0.59184614793253 15.999 > 31 32 O 0.65181958151346 0.38697077919324 0.59184614793253 15.999 > 31 33 O 0.43473790916597 0.38650976224478 0.29896624902907 15.999 > 33 34 O 0.93473790916597 0.38650976224478 0.29896624902907 15.999 > 33 35 O 0.08147898070675 0.21161221208816 0.39254688286497 15.999 > 35 36 O 0.58147898070675 0.21161221208816 0.39254688286497 15.999 > 35 37 O 0.06526209083403 0.88650976224478 0.20103375097093 15.999 > 37 38 O 0.56526209083403 0.88650976224478 0.20103375097093 15.999 > 37 39 O 0.43473790916597 0.11349023775522 0.79896624902907 15.999 > 39 40 O 0.93473790916597 0.11349023775522 0.79896624902907 15.999 > 39 41 O 0.48790195298131 0.13292705428375 0.14838992680831 15.999 > 41 42 O 0.98790195298131 0.13292705428375 0.14838992680831 15.999 > 41 43 O 0.01209804701869 0.63292705428375 0.35161007319169 15.999 > 43 44 O 0.51209804701869 0.63292705428375 0.35161007319169 15.999 > 43 45 O 0.01209804701869 0.86707294571625 0.85161007319169 15.999 > 45 46 O 0.51209804701869 0.86707294571625 0.85161007319169 15.999 > 45 47 O 0.48790195298131 0.36707294571625 0.64838992680831 15.999 > 47 48 O 0.98790195298131 0.36707294571625 0.64838992680831 15.999 > 47 49 O 0.07145974025196 0.47973832061962 0.86244681232591 15.999 > 49 50 O 0.57145974025196 0.47973832061962 0.86244681232591 15.999 > 49 51 O 0.42854025974804 0.97973832061962 0.63755318767409 15.999 > 51 52 O 0.92854025974804 0.97973832061962 0.63755318767409 15.999 > 51 53 O 0.42854025974804 0.52026167938038 0.13755318767409 15.999 > 53 54 O 0.92854025974804 0.52026167938038 0.13755318767409 15.999 > 53 55 O 0.07145974025196 0.02026167938038 0.36244681232591 15.999 > 55 56 O 0.57145974025196 0.02026167938038 0.36244681232591 15.999 > 55 57 O 0.21463432743118 0.01223015266788 0.70953087421362 15.999 > 57 58 O 0.71463432743118 0.01223015266788 0.70953087421362 15.999 > 57 59 O 0.28536567256882 0.51223015266788 0.79046912578638 15.999 > 59 60 O 0.78536567256882 0.51223015266788 0.79046912578638 15.999 > 59 61 O 0.28536567256882 0.98776984733212 0.29046912578639 15.999 > 61 62 O 0.78536567256882 0.98776984733212 0.29046912578639 15.999 > 61 63 O 0.21463432743118 0.48776984733212 0.20953087421361 15.999 > 63 64 O 0.71463432743118 0.48776984733212 0.20953087421361 15.999 > 63 65 O 0.20364676170891 0.37191589772266 0.83851197437203 15.999 > 65 66 O 0.70364676170891 0.37191589772266 0.83851197437203 15.999 > 65 67 O 0.29635323829109 0.87191589772266 0.66148802562797 15.999 > 67 68 O 0.79635323829109 0.87191589772266 0.66148802562797 15.999 > 67 69 O 0.29635323829109 0.62808410227734 0.16148802562797 15.999 > 69 70 O 0.79635323829109 0.62808410227734 0.16148802562797 15.999 > 69 71 O 0.20364676170891 0.12808410227734 0.33851197437203 15.999 > 71 72 O 0.70364676170891 0.12808410227734 0.33851197437203 15.999 > 71 73 O 0.10750437598776 0.08195478114930 0.79886262088982 15.999 > 73 74 O 0.60750437598776 0.08195478114930 0.79886262088982 15.999 > 73 75 O 0.39249562401224 0.58195478114930 0.70113737911018 15.999 > 75 76 O 0.89249562401224 0.58195478114930 0.70113737911018 15.999 > 75 77 O 0.39249562401224 0.91804521885070 0.20113737911018 15.999 > 77 78 O 0.89249562401224 0.91804521885070 0.20113737911018 15.999 > 77 79 O 0.10750437598776 0.41804521885070 0.29886262088983 15.999 > 79 80 O 0.60750437598776 0.41804521885070 0.29886262088983 15.999 > 79 81 O 0.13863021929999 0.18885422062485 0.64489414227543 15.999 > 81 82 O 0.63863021929999 0.18885422062485 0.64489414227543 15.999 > 81 83 O 0.36136978070001 0.68885422062485 0.85510585772457 15.999 > 83 84 O 0.86136978070001 0.68885422062485 0.85510585772457 15.999 > 83 85 O 0.36136978070001 0.81114577937515 0.35510585772457 15.999 > 85 86 O 0.86136978070001 0.81114577937515 0.35510585772457 15.999 > 85 87 O 0.13863021929999 0.31114577937515 0.14489414227543 15.999 > 87 88 O 0.63863021929999 0.31114577937515 0.14489414227543 15.999 > 87 89 O 0.08147898070675 0.28838778791184 0.89254688286497 15.999 > 89 90 O 0.58147898070675 0.28838778791184 0.89254688286497 15.999 > 89 91 O 0.41852101929325 0.78838778791184 0.60745311713503 15.999 > 91 92 O 0.91852101929325 0.78838778791184 0.60745311713503 15.999 > 91 93 O 0.41852101929325 0.71161221208816 0.10745311713503 15.999 > 93 94 O 0.91852101929325 0.71161221208816 0.10745311713503 15.999 > 93 95 O 0.06526209083403 0.61349023775522 0.70103375097093 15.999 > 95 96 O 0.56526209083403 0.61349023775522 0.70103375097093 15.999 > 95 97 Na 0.22005022477580 0.77558332570973 0.93906931305450 22.990 > 97 98 Na 0.72005022477580 0.77558332570973 0.93906931305450 22.990 > 97 99 Na 0.22005022477580 0.72441667429027 0.43906931305450 22.990 > 99 100 Na 0.72005022477580 0.72441667429027 0.43906931305450 22.990 > 99 101 Na 0.27994977522420 0.22441667429027 0.06093068694550 22.990 > 101 102 Na 0.77994977522420 0.22441667429027 0.06093068694550 22.990 > 101 103 Na 0.27994977522420 0.27558332570973 0.56093068694550 22.990 > 103 104 Na 0.77994977522420 0.27558332570973 0.56093068694550 22.990 > 103 105 P 0.30412048077886 0.88409193354616 0.23579308229923 30.974 > 105 106 P 0.80412048077886 0.88409193354616 0.23579308229923 30.974 > 105 107 P 0.25325137254582 0.60449414697403 0.25579061599268 30.974 > 107 108 P 0.75325137254582 0.60449414697403 0.25579061599268 30.974 > 107 109 P 0.25325137254582 0.89550585302597 0.75579061599268 30.974 > 109 110 P 0.75325137254582 0.89550585302597 0.75579061599268 30.974 > 109 111 P 0.24674862745418 0.39550585302597 0.74420938400732 30.974 > 111 112 P 0.74674862745418 0.39550585302597 0.74420938400732 30.974 > 111 113 P 0.19587951922114 0.38409193354616 0.26420691770077 30.974 > 113 114 P 0.69587951922114 0.38409193354616 0.26420691770077 30.974 > 113 115 P 0.24674862745418 0.10449414697403 0.24420938400732 30.974 > 115 116 P 0.74674862745418 0.10449414697403 0.24420938400732 30.974 > 115 117 P 0.30412048077886 0.61590806645384 0.73579308229923 30.974 > 117 118 P 0.80412048077886 0.61590806645384 0.73579308229923 30.974 > 117 119 P 0.19587951922114 0.11590806645384 0.76420691770077 30.974 > 119 120 P 0.69587951922114 0.11590806645384 0.76420691770077 30.974 > 119 121 P 0.07611658534430 0.37134341983031 0.80195085998012 30.974 > 121 122 P 0.57611658534430 0.37134341983031 0.80195085998012 30.974 > 121 123 P 0.03096543874871 0.90694498976044 0.29573556631218 30.974 > 123 124 P 0.53096543874871 0.90694498976044 0.29573556631218 30.974 > 123 125 P 0.03096543874871 0.59305501023956 0.79573556631218 30.974 > 125 126 P 0.53096543874871 0.59305501023956 0.79573556631218 30.974 > 125 127 P 0.46903456125129 0.09305501023956 0.70426443368782 30.974 > 127 128 P 0.96903456125129 0.09305501023956 0.70426443368782 30.974 > 127 129 P 0.42388341465570 0.87134341983031 0.69804914001988 30.974 > 129 130 P 0.92388341465570 0.87134341983031 0.69804914001988 30.974 > 129 131 P 0.42388341465570 0.62865658016969 0.19804914001988 30.974 > 131 132 P 0.92388341465570 0.62865658016969 0.19804914001988 30.974 > 131 133 P 0.07611658534430 0.12865658016969 0.30195085998012 30.974 > 133 134 P 0.57611658534430 0.12865658016969 0.30195085998012 30.974 > 133 135 P 0.46903456125129 0.40694498976044 0.20426443368782 30.974 > 135 136 P 0.96903456125129 0.40694498976044 0.20426443368782 30.974 > 135 137 Er 0.48242640678756 0.27968797477054 0.47742467153645 167.259 > 137 138 Er 0.98242640678756 0.27968797477054 0.47742467153645 167.259 > 137 139 Er 0.01757359321244 0.77968797477054 0.02257532846355 167.259 > 139 140 Er 0.51757359321244 0.77968797477054 0.02257532846355 167.259 > 139 141 Er 0.01757359321244 0.72031202522946 0.52257532846355 167.259 > 141 142 Er 0.51757359321244 0.72031202522946 0.52257532846355 167.259 > 141 143 Er 0.48242640678756 0.22031202522946 0.97742467153645 167.259 > 143 144 Er 0.98242640678756 0.22031202522946 0.97742467153645 167.259 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7457395 0.0000000 0.0109888 0.0000000 2.7509233 0.0000000 0.0109908 0.0000000 2.6930864 -------------------------- Born effective charges -------------------------- 1 O -1.6931447 0.2788505 -0.6226334 0.3488718 -1.3120981 0.5046673 -0.6109984 0.3475719 -1.7569692 2 O -1.6931447 -0.2788505 -0.6226334 -0.3488718 -1.3120981 -0.5046673 -0.6109984 -0.3475719 -1.7569692 3 O -1.6931447 0.2788505 -0.6226334 0.3488718 -1.3120981 0.5046673 -0.6109984 0.3475719 -1.7569692 4 O -1.6931447 -0.2788505 -0.6226334 -0.3488718 -1.3120981 -0.5046673 -0.6109984 -0.3475719 -1.7569692 5 O -1.2739827 0.2891838 0.1887515 0.2743515 -1.5911728 -0.5464431 0.2991385 -0.6293074 -1.6635126 6 O -1.2739827 -0.2891838 0.1887515 -0.2743515 -1.5911728 0.5464431 0.2991385 0.6293074 -1.6635126 7 O -1.2739827 0.2891838 0.1887515 0.2743515 -1.5911728 -0.5464431 0.2991385 -0.6293074 -1.6635126 8 O -1.2739827 -0.2891838 0.1887515 -0.2743515 -1.5911728 0.5464431 0.2991385 0.6293074 -1.6635126 9 O -1.7189267 -0.5139200 -0.4929608 -0.5137172 -1.6141274 -0.3990514 -0.4760895 -0.5117070 -1.5079546 10 O -1.7189267 0.5139200 -0.4929608 0.5137172 -1.6141274 0.3990514 -0.4760895 0.5117070 -1.5079546 11 O -1.7189267 -0.5139200 -0.4929608 -0.5137172 -1.6141274 -0.3990514 -0.4760895 -0.5117070 -1.5079546 12 O -1.7189267 0.5139200 -0.4929608 0.5137172 -1.6141274 0.3990514 -0.4760895 0.5117070 -1.5079546 13 O -1.3096525 0.2193448 -0.3319671 0.2470163 -1.3104870 0.4925241 -0.4086713 0.2698530 -1.8415548 14 O -1.3096525 -0.2193448 -0.3319671 -0.2470163 -1.3104870 -0.4925241 -0.4086713 -0.2698530 -1.8415548 15 O -1.3096525 0.2193448 -0.3319671 0.2470163 -1.3104870 0.4925241 -0.4086713 0.2698530 -1.8415548 16 O -1.3096525 -0.2193448 -0.3319671 -0.2470163 -1.3104870 -0.4925241 -0.4086713 -0.2698530 -1.8415548 17 O -1.6715240 -0.2681074 0.6677537 -0.3347571 -1.4465433 0.6154215 0.6366160 0.3938308 -1.6922925 18 O -1.6536221 0.4730285 0.4803135 0.4309180 -1.6311314 -0.4082189 0.4808506 -0.5389709 -1.4947593 19 O -1.6715240 0.2681074 0.6677537 0.3347571 -1.4465433 -0.6154215 0.6366160 -0.3938308 -1.6922925 20 O -1.6715240 0.2681074 0.6677537 0.3347571 -1.4465433 -0.6154215 0.6366160 -0.3938308 -1.6922925 21 O -1.2153084 -0.0918450 0.1833067 -0.1462879 -1.2637744 0.6143970 0.1979967 0.2636354 -2.0597067 22 O -1.2153084 0.0918450 0.1833067 0.1462879 -1.2637744 -0.6143970 0.1979967 -0.2636354 -2.0597067 23 O -1.2153084 -0.0918450 0.1833067 -0.1462879 -1.2637744 0.6143970 0.1979967 0.2636354 -2.0597067 24 O -1.2153084 0.0918450 0.1833067 0.1462879 -1.2637744 -0.6143970 0.1979967 -0.2636354 -2.0597067 25 O -1.0696868 0.7435412 0.0756300 0.4149166 -3.1838639 0.0273572 0.1291166 0.0305975 -0.9700754 26 O -1.0696868 -0.7435412 0.0756300 -0.4149166 -3.1838639 -0.0273572 0.1291166 -0.0305975 -0.9700754 27 O -1.0696868 0.7435412 0.0756300 0.4149166 -3.1838639 0.0273572 0.1291166 0.0305975 -0.9700754 28 O -1.0696868 -0.7435412 0.0756300 -0.4149166 -3.1838639 -0.0273572 0.1291166 -0.0305975 -0.9700754 29 O -1.2461707 0.9209286 -0.0039676 0.7216681 -3.3386973 -0.0078864 -0.0515706 -0.0514131 -0.8807028 30 O -1.2461707 -0.9209286 -0.0039676 -0.7216681 -3.3386973 0.0078864 -0.0515706 0.0514131 -0.8807028 31 O -1.2461707 0.9209286 -0.0039676 0.7216681 -3.3386973 -0.0078864 -0.0515706 -0.0514131 -0.8807028 32 O -1.2461707 -0.9209286 -0.0039676 -0.7216681 -3.3386973 0.0078864 -0.0515706 0.0514131 -0.8807028 33 O -3.0100590 -0.2329351 0.3753385 -0.1498174 -0.9790129 -0.0080431 0.2242558 0.1256137 -1.1383306 34 O -3.0100590 0.2329351 0.3753385 0.1498174 -0.9790129 0.0080431 0.2242558 -0.1256137 -1.1383306 35 O -3.0100590 -0.2329351 0.3753385 -0.1498174 -0.9790129 -0.0080431 0.2242558 0.1256137 -1.1383306 36 O -3.0100590 0.2329351 0.3753385 0.1498174 -0.9790129 0.0080431 0.2242558 -0.1256137 -1.1383306 37 O -3.0149673 -0.2385070 -0.4449930 -0.1849166 -1.0470800 -0.0346461 -0.2976949 0.1342417 -1.0285898 38 O -3.0149673 0.2385070 -0.4449930 0.1849166 -1.0470800 0.0346461 -0.2976949 -0.1342417 -1.0285898 39 O -3.0149673 -0.2385070 -0.4449930 -0.1849166 -1.0470800 -0.0346461 -0.2976949 0.1342417 -1.0285898 40 O -3.0149673 0.2385070 -0.4449930 0.1849166 -1.0470800 0.0346461 -0.2976949 -0.1342417 -1.0285898 41 O -1.2079324 0.1268452 -0.2603887 0.1591039 -1.7176243 0.6534137 -0.2754395 0.6684227 -1.8762319 42 O -1.2079324 -0.1268452 -0.2603887 -0.1591039 -1.7176243 -0.6534137 -0.2754395 -0.6684227 -1.8762319 43 O -1.2079324 0.1268452 -0.2603887 0.1591039 -1.7176243 0.6534137 -0.2754395 0.6684227 -1.8762319 44 O -1.2079324 -0.1268452 -0.2603887 -0.1591039 -1.7176243 -0.6534137 -0.2754395 -0.6684227 -1.8762319 45 O -1.6536221 -0.4730285 0.4803135 -0.4309180 -1.6311314 0.4082189 0.4808506 0.5389709 -1.4947593 46 O -1.6536221 0.4730285 0.4803135 0.4309180 -1.6311314 -0.4082189 0.4808506 -0.5389709 -1.4947593 47 O -1.6536221 -0.4730285 0.4803135 -0.4309180 -1.6311314 0.4082189 0.4808506 0.5389709 -1.4947593 48 O -1.6715240 -0.2681074 0.6677537 -0.3347571 -1.4465433 0.6154215 0.6366160 0.3938308 -1.6922925 49 Na 1.1962868 0.0523450 -0.0284148 -0.0174858 1.0196987 -0.0646335 -0.0091166 -0.0279047 1.2240187 50 Na 1.1962868 -0.0523450 -0.0284148 0.0174858 1.0196987 0.0646335 -0.0091166 0.0279047 1.2240187 51 Na 1.1962868 0.0523450 -0.0284148 -0.0174858 1.0196987 -0.0646335 -0.0091166 -0.0279047 1.2240187 52 Na 1.1962868 -0.0523450 -0.0284148 0.0174858 1.0196987 0.0646335 -0.0091166 0.0279047 1.2240187 53 P 3.8393987 -0.1595266 0.2259985 -0.3428217 4.0177419 0.3653829 0.3988625 -0.1678818 3.0405665 54 P 3.6904948 0.3479360 0.0375574 -0.0304323 4.0011363 0.6006020 0.3933716 -0.1849379 2.9517421 55 P 3.6904948 -0.3479360 0.0375574 0.0304323 4.0011363 -0.6006020 0.3933716 0.1849379 2.9517421 56 P 3.6904948 0.3479360 0.0375574 -0.0304323 4.0011363 0.6006020 0.3933716 -0.1849379 2.9517421 57 P 3.8393987 0.1595266 0.2259985 0.3428217 4.0177419 -0.3653829 0.3988625 0.1678818 3.0405665 58 P 3.6904948 -0.3479360 0.0375574 0.0304323 4.0011363 -0.6006020 0.3933716 0.1849379 2.9517421 59 P 3.8393987 0.1595266 0.2259985 0.3428217 4.0177419 -0.3653829 0.3988625 0.1678818 3.0405665 60 P 3.8393987 -0.1595266 0.2259985 -0.3428217 4.0177419 0.3653829 0.3988625 -0.1678818 3.0405665 61 P 3.7633520 -0.0132786 -0.3073483 -0.1189813 3.7989523 0.5127158 -0.2505706 -0.3506294 2.9782107 62 P 3.6727125 0.3614367 0.2395289 0.0029061 3.8906829 0.4527867 -0.4333587 -0.3143327 2.9590691 63 P 3.6727125 -0.3614367 0.2395289 -0.0029061 3.8906829 -0.4527867 -0.4333587 0.3143327 2.9590691 64 P 3.6727125 0.3614367 0.2395289 0.0029061 3.8906829 0.4527867 -0.4333587 -0.3143327 2.9590691 65 P 3.7633520 0.0132786 -0.3073483 0.1189813 3.7989523 -0.5127158 -0.2505706 0.3506294 2.9782107 66 P 3.7633520 -0.0132786 -0.3073483 -0.1189813 3.7989523 0.5127158 -0.2505706 -0.3506294 2.9782107 67 P 3.7633520 0.0132786 -0.3073483 0.1189813 3.7989523 -0.5127158 -0.2505706 0.3506294 2.9782107 68 P 3.6727125 -0.3614367 0.2395289 -0.0029061 3.8906829 -0.4527867 -0.4333587 0.3143327 2.9590691 69 Er 3.9227325 0.2124250 0.0184953 -0.2270726 3.7074007 -0.0773725 0.0533017 -0.0906237 4.7570731 70 Er 3.9227325 -0.2124250 0.0184953 0.2270726 3.7074007 0.0773725 0.0533017 0.0906237 4.7570731 71 Er 3.9227325 0.2124250 0.0184953 -0.2270726 3.7074007 -0.0773725 0.0533017 -0.0906237 4.7570731 72 Er 3.9227325 -0.2124250 0.0184953 0.2270726 3.7074007 0.0773725 0.0533017 0.0906237 4.7570731 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 9 4 5 ] 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: 0.43, Number of G-points: 303, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.451 ( 0.000 0.000 0.000) 0.000 12.563 ( 0.000 0.000 0.000) 0.000 12.598 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.037 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 13.388 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.096 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.408 ( 0.000 0.000 0.000) 0.000 14.469 ( 0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 15.045 ( 0.000 0.000 0.000) 0.000 15.070 ( 0.000 0.000 0.000) 0.000 15.096 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 15.993 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.556 ( 0.000 0.000 0.000) 0.000 16.580 ( 0.000 0.000 0.000) 0.000 16.665 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 17.321 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.395 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 19.957 ( 0.000 0.000 0.000) 0.000 20.062 ( 0.000 0.000 0.000) 0.000 20.128 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 20.574 ( 0.000 0.000 0.000) 0.000 20.815 ( 0.000 0.000 0.000) 0.000 20.876 ( 0.000 0.000 0.000) 0.000 21.909 ( 0.000 0.000 0.000) 0.000 22.026 ( 0.000 0.000 0.000) 0.000 22.132 ( 0.000 0.000 0.000) 0.000 22.234 ( 0.000 0.000 0.000) 0.000 23.116 ( 0.000 0.000 0.000) 0.000 23.274 ( 0.000 0.000 0.000) 0.000 23.334 ( 0.000 0.000 0.000) 0.000 23.375 ( 0.000 0.000 0.000) 0.000 26.521 ( 0.000 0.000 0.000) 0.000 26.526 ( 0.000 0.000 0.000) 0.000 26.531 ( 0.000 0.000 0.000) 0.000 26.556 ( 0.000 0.000 0.000) 0.000 29.055 ( 0.000 0.000 0.000) 0.000 29.152 ( 0.000 0.000 0.000) 0.000 29.244 ( 0.000 0.000 0.000) 0.000 29.564 ( 0.000 0.000 0.000) 0.000 29.658 ( 0.000 0.000 0.000) 0.000 29.866 ( 0.000 0.000 0.000) 0.000 30.252 ( 0.000 0.000 0.000) 0.000 30.746 ( 0.000 0.000 0.000) 0.000 30.788 ( 0.000 0.000 0.000) 0.000 30.958 ( 0.000 0.000 0.000) 0.000 31.032 ( 0.000 0.000 0.000) 0.000 31.101 ( 0.000 0.000 0.000) 0.000 31.499 ( 0.000 0.000 0.000) 0.000 31.508 ( 0.000 0.000 0.000) 0.000 31.827 ( 0.000 0.000 0.000) 0.000 32.138 ( 0.000 0.000 0.000) 0.000 32.223 ( 0.000 0.000 0.000) 0.000 32.330 ( 0.000 0.000 0.000) 0.000 32.366 ( 0.000 0.000 0.000) 0.000 32.589 ( 0.000 0.000 0.000) 0.000 32.618 ( 0.000 0.000 0.000) 0.000 32.648 ( 0.000 0.000 0.000) 0.000 32.876 ( 0.000 0.000 0.000) 0.000 33.535 ( 0.000 0.000 0.000) 0.000 33.661 ( 0.000 0.000 0.000) 0.000 34.311 ( 0.000 0.000 0.000) 0.000 34.368 ( 0.000 0.000 0.000) 0.000 34.715 ( 0.000 0.000 0.000) 0.000 34.899 ( 0.000 0.000 0.000) 0.000 34.963 ( 0.000 0.000 0.000) 0.000 35.006 ( 0.000 0.000 0.000) 0.000 35.025 ( 0.000 0.000 0.000) 0.000 35.630 ( 0.000 0.000 0.000) 0.000 35.691 ( 0.000 0.000 0.000) 0.000 35.750 ( 0.000 0.000 0.000) 0.000 35.759 ( 0.000 0.000 0.000) 0.000 35.926 ( 0.000 0.000 0.000) 0.000 36.026 ( 0.000 0.000 0.000) 0.000 36.098 ( 0.000 0.000 0.000) 0.000 36.289 ( 0.000 0.000 0.000) 0.000 36.718 ( 0.000 0.000 0.000) 0.000 36.734 ( 0.000 0.000 0.000) 0.000 38.417 ( 0.000 0.000 0.000) 0.000 39.080 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 26.967 0.000 10.781) 29.042 0.621 ( 23.979 0.000 21.437) 32.164 1.038 ( 46.418 0.000 25.594) 53.007 1.779 ( 0.375 0.000 13.393) 13.398 1.897 ( 12.182 0.000 -4.762) 13.080 1.958 ( -5.258 0.000 4.486) 6.911 2.220 ( 7.715 0.000 3.041) 8.293 2.350 ( -5.153 0.000 1.715) 5.430 2.451 ( -7.253 0.000 -10.868) 13.067 2.521 ( 4.327 0.000 8.402) 9.451 2.730 ( 0.810 0.000 0.188) 0.832 2.732 ( -1.729 0.000 6.698) 6.917 2.796 ( -2.118 0.000 9.288) 9.527 2.855 ( -6.274 0.000 -7.716) 9.945 2.952 ( -3.668 0.000 -8.000) 8.801 3.015 ( 1.493 0.000 -0.941) 1.765 3.077 ( 4.280 0.000 -9.609) 10.519 3.202 ( -5.469 0.000 -3.104) 6.289 3.266 ( 5.409 0.000 3.488) 6.436 3.269 ( 7.047 0.000 4.515) 8.370 3.303 ( 7.712 0.000 3.435) 8.442 3.305 ( -6.554 0.000 4.499) 7.949 3.370 ( -3.162 0.000 3.274) 4.551 3.492 ( 8.453 0.000 4.496) 9.575 3.501 ( -4.765 0.000 1.163) 4.905 3.616 ( 1.095 0.000 -1.428) 1.799 3.645 ( -2.517 0.000 0.945) 2.688 3.712 ( 4.462 0.000 -8.894) 9.950 3.804 ( 3.578 0.000 0.655) 3.638 3.853 ( 0.496 0.000 -2.082) 2.140 3.943 ( -0.274 0.000 1.474) 1.499 3.991 ( 11.139 0.000 -2.400) 11.395 4.124 ( 8.385 0.000 4.712) 9.619 4.179 ( 1.351 0.000 5.618) 5.778 4.292 ( 3.329 0.000 -2.836) 4.373 4.354 ( -4.828 0.000 -6.994) 8.499 4.361 ( 2.537 0.000 -1.008) 2.730 4.509 ( 1.931 0.000 5.228) 5.574 4.602 ( 0.779 0.000 -11.190) 11.217 4.840 ( 2.146 0.000 -2.089) 2.995 4.867 ( -0.809 0.000 -1.256) 1.494 4.969 ( -1.534 0.000 -0.325) 1.568 4.978 ( -0.332 0.000 3.104) 3.122 5.086 ( -8.071 0.000 -3.032) 8.622 5.142 ( 1.878 0.000 -8.975) 9.170 5.210 ( 1.103 0.000 0.296) 1.142 5.301 ( 0.699 0.000 0.484) 0.850 5.327 ( 1.120 0.000 4.566) 4.701 5.473 ( 2.995 0.000 -3.347) 4.491 5.482 ( -14.767 0.000 16.143) 21.878 5.497 ( 3.189 0.000 -3.535) 4.761 5.611 ( -0.862 0.000 -2.247) 2.406 5.645 ( 0.238 0.000 1.517) 1.535 5.791 ( -0.684 0.000 -2.141) 2.247 5.861 ( 5.172 0.000 -8.026) 9.549 5.940 ( -0.418 0.000 5.891) 5.906 6.083 ( -2.889 0.000 -1.491) 3.251 6.197 ( 3.920 0.000 -5.800) 7.000 6.199 ( -0.330 0.000 -6.176) 6.185 6.297 ( -12.232 0.000 17.603) 21.436 6.344 ( -1.584 0.000 6.799) 6.981 6.455 ( 5.553 0.000 2.224) 5.982 6.505 ( -3.359 0.000 -5.711) 6.626 6.522 ( -2.600 0.000 5.026) 5.659 6.584 ( -0.118 0.000 -3.304) 3.306 6.788 ( -0.372 0.000 -2.716) 2.742 6.820 ( -9.784 0.000 2.046) 9.996 6.923 ( 0.231 0.000 0.831) 0.862 6.972 ( -0.693 0.000 1.868) 1.992 7.079 ( -3.708 0.000 2.278) 4.352 7.222 ( 2.109 0.000 4.765) 5.211 7.247 ( -0.127 0.000 -0.437) 0.456 7.422 ( -0.249 0.000 8.586) 8.590 7.511 ( -5.375 0.000 1.264) 5.522 7.538 ( 0.515 0.000 2.815) 2.862 7.689 ( 3.008 0.000 -0.243) 3.018 8.489 ( -11.812 0.000 -0.099) 11.812 8.598 ( -19.046 0.000 -1.868) 19.137 8.804 ( -8.408 0.000 -0.814) 8.448 8.850 ( -8.772 0.000 2.599) 9.149 8.969 ( 0.761 0.000 -2.143) 2.274 8.983 ( -6.279 0.000 1.345) 6.422 9.165 ( -5.547 0.000 -2.813) 6.219 9.177 ( 5.340 0.000 -1.618) 5.580 9.340 ( 5.999 0.000 0.730) 6.043 9.341 ( 0.796 0.000 0.126) 0.806 9.436 ( 3.463 0.000 -4.216) 5.456 9.449 ( 0.650 0.000 4.267) 4.316 9.452 ( 0.618 0.000 -1.436) 1.563 9.493 ( 3.377 0.000 -1.734) 3.796 9.605 ( 8.327 0.000 -0.338) 8.334 9.818 ( 1.730 0.000 2.339) 2.909 9.828 ( 6.425 0.000 0.928) 6.492 10.175 ( -4.923 0.000 0.147) 4.925 10.255 ( -0.842 0.000 0.863) 1.206 10.374 ( -6.838 0.000 -0.658) 6.869 10.464 ( -6.987 0.000 2.097) 7.295 10.620 ( -8.955 0.000 -1.109) 9.023 10.777 ( -7.428 0.000 -1.205) 7.525 10.787 ( -11.254 0.000 -0.089) 11.254 10.862 ( -7.474 0.000 -3.940) 8.449 10.868 ( -2.182 0.000 0.903) 2.361 11.073 ( -2.152 0.000 2.546) 3.333 11.165 ( -3.269 0.000 -1.753) 3.709 11.362 ( 14.129 0.000 -0.080) 14.130 11.415 ( 12.062 0.000 -1.691) 12.180 11.690 ( 0.222 0.000 -0.801) 0.831 11.695 ( -1.195 0.000 0.870) 1.478 11.958 ( 6.211 0.000 0.043) 6.211 12.192 ( 0.064 0.000 -0.098) 0.117 12.303 ( -5.303 0.000 -0.329) 5.313 12.313 ( 1.379 0.000 0.163) 1.388 12.413 ( -1.643 0.000 -0.999) 1.923 12.444 ( 0.115 0.000 -0.531) 0.544 12.460 ( 1.507 0.000 0.340) 1.545 12.495 ( 3.457 0.000 1.434) 3.743 12.580 ( 1.726 0.000 -0.728) 1.874 12.641 ( 4.310 0.000 -0.148) 4.313 13.004 ( 1.561 0.000 0.959) 1.832 13.029 ( -0.795 0.000 -0.174) 0.814 13.251 ( 0.698 0.000 -0.267) 0.747 13.368 ( -1.913 0.000 -0.125) 1.917 13.557 ( 12.058 0.000 -0.357) 12.063 13.956 ( 11.594 0.000 -14.090) 18.247 13.988 ( -5.676 0.000 -0.625) 5.710 14.021 ( -9.202 0.000 -0.084) 9.202 14.232 ( 3.812 0.000 -0.542) 3.850 14.243 ( 3.370 0.000 0.651) 3.432 14.403 ( -3.743 0.000 0.641) 3.797 14.498 ( -2.836 0.000 -0.420) 2.866 14.652 ( 7.815 0.000 0.567) 7.835 14.761 ( -1.158 0.000 0.691) 1.348 14.949 ( 1.962 0.000 0.057) 1.962 14.981 ( 11.004 0.000 0.144) 11.005 15.137 ( 10.176 0.000 0.375) 10.183 15.177 ( 8.157 0.000 0.393) 8.166 15.296 ( 12.713 0.000 -3.279) 13.129 15.569 ( 7.785 0.000 -11.567) 13.943 15.735 ( -3.182 0.000 1.882) 3.697 15.755 ( -5.142 0.000 -0.444) 5.161 15.844 ( -1.654 0.000 -0.617) 1.766 15.997 ( -1.268 0.000 2.142) 2.489 16.071 ( 15.618 0.000 -15.441) 21.963 16.361 ( -4.128 0.000 -4.344) 5.993 16.582 ( 3.082 0.000 0.421) 3.110 16.610 ( 2.022 0.000 1.238) 2.371 16.681 ( 3.478 0.000 -1.877) 3.952 16.869 ( 13.907 0.000 -24.425) 28.107 17.325 ( -0.152 0.000 0.821) 0.835 17.370 ( 0.004 0.000 -0.291) 0.291 17.393 ( 0.204 0.000 -0.467) 0.510 17.438 ( 1.426 0.000 0.001) 1.426 19.712 ( 2.025 0.000 1.309) 2.411 19.979 ( 4.261 0.000 -2.144) 4.770 20.061 ( -0.734 0.000 1.067) 1.295 20.139 ( 2.313 0.000 -1.399) 2.703 20.473 ( -3.119 0.000 -0.583) 3.173 20.565 ( -1.581 0.000 0.511) 1.661 20.838 ( -1.031 0.000 -0.608) 1.197 20.875 ( -0.233 0.000 0.096) 0.252 21.961 ( 4.857 0.000 2.110) 5.296 22.097 ( -3.918 0.000 6.780) 7.831 22.180 ( 4.635 0.000 0.409) 4.653 22.244 ( 1.815 0.000 -0.577) 1.905 23.074 ( -4.542 0.000 -0.968) 4.644 23.230 ( -3.177 0.000 -4.182) 5.252 23.263 ( -10.416 0.000 4.074) 11.185 23.345 ( -4.205 0.000 0.404) 4.224 26.589 ( 8.594 0.000 -0.013) 8.594 26.622 ( 12.399 0.000 -0.447) 12.407 26.647 ( 13.459 0.000 0.836) 13.485 27.723 ( 48.548 0.000 -65.828) 81.793 28.915 ( -16.399 0.000 0.754) 16.417 29.046 ( -15.824 0.000 0.190) 15.825 29.145 ( -10.859 0.000 1.907) 11.025 29.439 ( -12.742 0.000 -1.517) 12.832 29.831 ( 16.212 0.000 0.497) 16.220 29.974 ( 12.891 0.000 -1.461) 12.974 30.364 ( 8.955 0.000 3.508) 9.618 30.773 ( 0.161 0.000 -0.830) 0.846 30.809 ( 2.331 0.000 1.014) 2.542 30.964 ( 1.989 0.000 -1.484) 2.482 31.146 ( 5.629 0.000 -0.031) 5.629 31.468 ( 24.812 0.000 -37.332) 44.825 31.522 ( 6.312 0.000 -6.475) 9.042 31.532 ( 2.660 0.000 0.524) 2.711 31.882 ( 3.620 0.000 2.899) 4.638 32.053 ( -7.997 0.000 1.321) 8.105 32.141 ( -8.327 0.000 -1.423) 8.447 32.299 ( -6.603 0.000 -4.494) 7.987 32.388 ( -2.446 0.000 -1.684) 2.969 32.599 ( 7.764 0.000 -0.975) 7.825 32.688 ( 7.920 0.000 1.044) 7.988 32.798 ( 13.274 0.000 -1.623) 13.373 32.973 ( 10.217 0.000 -0.137) 10.218 33.512 ( -4.318 0.000 -0.695) 4.373 33.659 ( -2.063 0.000 2.573) 3.298 34.239 ( -4.464 0.000 -5.485) 7.072 34.311 ( -4.620 0.000 -3.577) 5.843 34.378 ( -13.783 0.000 -32.127) 34.959 34.957 ( -0.385 0.000 -0.572) 0.690 35.022 ( -0.214 0.000 2.336) 2.346 35.032 ( 3.044 0.000 5.285) 6.099 35.122 ( -0.577 0.000 2.714) 2.775 35.712 ( 2.706 0.000 0.021) 2.706 35.752 ( 8.257 0.000 -13.477) 15.805 35.791 ( 4.018 0.000 1.364) 4.243 35.867 ( 9.817 0.000 -11.407) 15.050 35.965 ( 1.360 0.000 4.887) 5.072 36.048 ( 0.312 0.000 3.575) 3.588 36.314 ( -2.361 0.000 28.739) 28.836 36.643 ( -9.629 0.000 11.499) 14.999 36.772 ( 6.542 0.000 0.694) 6.578 37.763 ( -46.532 0.000 67.173) 81.715 38.334 ( -6.391 0.000 -5.547) 8.463 38.997 ( -9.402 0.000 -1.634) 9.543 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 21.685 0.000 9.974) 23.869 1.214 ( 21.135 0.000 20.337) 29.331 1.789 ( 1.947 0.000 5.163) 5.518 1.970 ( 32.013 0.000 19.274) 37.368 2.088 ( 15.163 0.000 -1.211) 15.211 2.143 ( 1.675 0.000 -8.023) 8.196 2.238 ( 8.282 0.000 16.594) 18.546 2.304 ( -2.096 0.000 1.743) 2.726 2.509 ( 8.039 0.000 13.592) 15.792 2.579 ( -9.146 0.000 -9.634) 13.284 2.720 ( 7.465 0.000 2.606) 7.907 2.789 ( 2.860 0.000 -0.488) 2.901 2.795 ( -0.502 0.000 7.103) 7.120 2.865 ( -1.015 0.000 -5.258) 5.355 2.915 ( 4.458 0.000 6.407) 7.805 2.966 ( -0.095 0.000 -4.493) 4.494 3.024 ( -6.641 0.000 2.175) 6.988 3.078 ( 1.880 0.000 -1.018) 2.138 3.279 ( -4.309 0.000 -4.887) 6.515 3.309 ( -2.989 0.000 12.525) 12.877 3.327 ( -14.081 0.000 -3.170) 14.433 3.403 ( 3.964 0.000 -2.114) 4.493 3.424 ( 2.297 0.000 0.155) 2.302 3.526 ( 1.420 0.000 4.739) 4.947 3.535 ( 0.859 0.000 3.086) 3.204 3.611 ( 8.524 0.000 4.338) 9.564 3.676 ( 6.491 0.000 -8.082) 10.366 3.731 ( 8.686 0.000 -2.004) 8.914 3.861 ( -1.232 0.000 3.119) 3.354 3.881 ( 3.498 0.000 -4.010) 5.322 3.939 ( 2.092 0.000 -1.875) 2.809 4.135 ( 9.374 0.000 -0.046) 9.374 4.212 ( -1.467 0.000 0.987) 1.768 4.313 ( 7.689 0.000 2.239) 8.009 4.324 ( 6.884 0.000 -8.325) 10.802 4.332 ( 4.758 0.000 3.900) 6.153 4.390 ( 0.985 0.000 1.462) 1.763 4.523 ( 1.129 0.000 -2.428) 2.678 4.628 ( 3.325 0.000 5.984) 6.846 4.793 ( -2.361 0.000 -7.838) 8.186 4.798 ( -0.802 0.000 -4.379) 4.452 4.925 ( -3.073 0.000 0.044) 3.074 4.961 ( -4.589 0.000 2.273) 5.122 4.996 ( -0.276 0.000 0.283) 0.395 5.093 ( 0.084 0.000 -4.000) 4.001 5.200 ( -2.296 0.000 -1.898) 2.979 5.349 ( 3.049 0.000 0.728) 3.135 5.367 ( -2.477 0.000 3.034) 3.917 5.400 ( -6.338 0.000 1.732) 6.570 5.407 ( 1.365 0.000 -8.304) 8.416 5.532 ( 1.377 0.000 -2.541) 2.890 5.584 ( -1.927 0.000 -1.061) 2.200 5.691 ( 4.113 0.000 2.012) 4.578 5.760 ( -2.921 0.000 1.906) 3.487 5.833 ( 0.939 0.000 -5.188) 5.272 5.955 ( -4.903 0.000 3.765) 6.182 5.980 ( -7.047 0.000 -1.745) 7.260 6.132 ( 3.520 0.000 -9.378) 10.017 6.208 ( 2.033 0.000 -8.445) 8.686 6.284 ( -5.988 0.000 5.621) 8.213 6.367 ( 0.988 0.000 1.405) 1.718 6.415 ( -1.473 0.000 -0.000) 1.473 6.512 ( 2.141 0.000 -1.654) 2.705 6.542 ( 0.592 0.000 -3.781) 3.828 6.659 ( 7.705 0.000 9.195) 11.997 6.737 ( -1.598 0.000 -3.722) 4.051 6.752 ( -1.228 0.000 2.203) 2.522 6.932 ( -4.214 0.000 0.241) 4.221 6.946 ( 1.339 0.000 0.837) 1.579 7.081 ( -3.762 0.000 4.396) 5.786 7.232 ( 1.808 0.000 -0.333) 1.838 7.283 ( 2.286 0.000 0.760) 2.409 7.458 ( -3.894 0.000 0.336) 3.909 7.517 ( -0.380 0.000 7.799) 7.809 7.551 ( -3.200 0.000 1.258) 3.439 7.689 ( -1.502 0.000 -2.479) 2.899 8.250 ( -20.717 0.000 -3.158) 20.956 8.267 ( -15.592 0.000 0.375) 15.597 8.574 ( -15.603 0.000 -2.946) 15.879 8.681 ( -14.744 0.000 2.902) 15.027 8.969 ( 0.484 0.000 0.744) 0.888 8.970 ( 0.047 0.000 2.707) 2.708 9.076 ( 0.215 0.000 -4.805) 4.810 9.253 ( 5.973 0.000 -1.033) 6.061 9.357 ( 1.212 0.000 -0.419) 1.282 9.414 ( 2.117 0.000 0.219) 2.128 9.457 ( 4.855 0.000 -3.250) 5.842 9.487 ( 5.235 0.000 -1.256) 5.384 9.521 ( 3.784 0.000 -2.556) 4.566 9.527 ( 3.145 0.000 3.734) 4.883 9.711 ( 6.013 0.000 -1.227) 6.137 9.894 ( 3.034 0.000 4.159) 5.148 9.905 ( 1.735 0.000 0.597) 1.835 10.069 ( -8.931 0.000 -0.089) 8.932 10.225 ( -4.516 0.000 -0.042) 4.516 10.233 ( -11.458 0.000 1.438) 11.547 10.342 ( -10.990 0.000 1.563) 11.101 10.442 ( -11.151 0.000 -0.886) 11.186 10.624 ( -8.569 0.000 -2.669) 8.975 10.633 ( -8.494 0.000 1.760) 8.674 10.684 ( -7.802 0.000 -3.951) 8.745 10.818 ( -5.336 0.000 0.727) 5.386 11.045 ( -5.143 0.000 1.808) 5.452 11.082 ( -4.326 0.000 -1.589) 4.609 11.590 ( 14.700 0.000 -0.092) 14.701 11.608 ( 13.089 0.000 -0.505) 13.098 11.706 ( 3.263 0.000 -0.717) 3.341 11.718 ( 2.598 0.000 0.780) 2.712 12.057 ( 5.953 0.000 0.464) 5.971 12.185 ( -0.833 0.000 -0.600) 1.026 12.224 ( -4.507 0.000 1.243) 4.675 12.297 ( -3.200 0.000 0.058) 3.200 12.428 ( 3.713 0.000 -0.356) 3.730 12.434 ( -0.575 0.000 -0.918) 1.083 12.498 ( 3.831 0.000 -0.246) 3.839 12.550 ( 1.292 0.000 -1.593) 2.051 12.613 ( 3.613 0.000 1.969) 4.115 12.709 ( 4.289 0.000 -0.118) 4.291 13.012 ( -1.458 0.000 0.192) 1.471 13.036 ( 0.597 0.000 0.417) 0.728 13.268 ( 2.291 0.000 -0.412) 2.327 13.347 ( -0.221 0.000 0.386) 0.444 13.803 ( 14.950 0.000 0.895) 14.977 13.854 ( -9.388 0.000 0.395) 9.396 13.872 ( -6.052 0.000 0.167) 6.054 14.014 ( 9.927 0.000 -6.115) 11.659 14.295 ( 2.156 0.000 -0.414) 2.195 14.321 ( 4.311 0.000 0.877) 4.399 14.351 ( -0.357 0.000 -0.265) 0.445 14.415 ( -5.311 0.000 -0.222) 5.316 14.765 ( -0.539 0.000 1.134) 1.256 14.788 ( 5.921 0.000 -0.531) 5.945 15.002 ( 5.558 0.000 0.077) 5.558 15.148 ( 9.235 0.000 -0.154) 9.236 15.311 ( 8.140 0.000 0.065) 8.140 15.314 ( 10.644 0.000 0.398) 10.651 15.494 ( 15.059 0.000 -2.336) 15.239 15.574 ( 3.083 0.000 -1.841) 3.591 15.676 ( -4.372 0.000 0.199) 4.376 15.677 ( -5.244 0.000 0.524) 5.270 15.871 ( 4.424 0.000 1.984) 4.848 16.003 ( -1.048 0.000 2.633) 2.834 16.111 ( 5.729 0.000 -8.311) 10.094 16.224 ( -4.073 0.000 -6.010) 7.260 16.628 ( 1.164 0.000 0.331) 1.210 16.666 ( 2.796 0.000 2.267) 3.600 16.726 ( 4.411 0.000 -1.664) 4.714 16.795 ( 1.862 0.000 -9.435) 9.617 17.333 ( -0.117 0.000 1.013) 1.020 17.368 ( -0.250 0.000 0.481) 0.542 17.395 ( 1.000 0.000 -0.746) 1.248 17.461 ( 1.354 0.000 -0.106) 1.358 19.784 ( 5.372 0.000 1.323) 5.533 20.021 ( 4.522 0.000 -3.783) 5.896 20.085 ( 2.782 0.000 1.828) 3.328 20.166 ( 3.893 0.000 -2.585) 4.673 20.400 ( -5.331 0.000 -0.278) 5.338 20.532 ( -3.780 0.000 0.750) 3.853 20.800 ( -1.955 0.000 -1.830) 2.678 20.866 ( -1.066 0.000 -0.192) 1.083 22.092 ( 7.927 0.000 2.431) 8.291 22.139 ( 2.359 0.000 2.339) 3.322 22.277 ( 7.518 0.000 0.226) 7.521 22.283 ( 4.600 0.000 -0.822) 4.673 22.963 ( -7.681 0.000 -1.464) 7.820 23.086 ( -10.103 0.000 -0.421) 10.112 23.143 ( -9.450 0.000 1.184) 9.524 23.251 ( -8.315 0.000 0.233) 8.318 26.782 ( 15.678 0.000 0.562) 15.688 26.880 ( 20.237 0.000 -1.127) 20.269 26.937 ( 21.341 0.000 2.646) 21.505 27.743 ( 25.183 0.000 -31.413) 40.261 28.625 ( -21.057 0.000 1.186) 21.090 28.745 ( -20.314 0.000 -1.186) 20.348 28.978 ( -14.666 0.000 2.256) 14.838 29.183 ( -16.736 0.000 -2.531) 16.926 30.096 ( 16.135 0.000 1.012) 16.167 30.174 ( 14.002 0.000 -1.581) 14.091 30.533 ( 6.974 0.000 2.845) 7.533 30.765 ( 0.266 0.000 -1.182) 1.211 30.894 ( 6.372 0.000 2.060) 6.697 30.990 ( 4.249 0.000 -2.263) 4.814 31.263 ( 9.101 0.000 -0.226) 9.104 31.420 ( 8.624 0.000 -17.101) 19.152 31.538 ( 0.978 0.000 -1.061) 1.443 31.589 ( 1.233 0.000 2.802) 3.061 31.903 ( -3.534 0.000 1.202) 3.733 31.977 ( -9.005 0.000 -2.102) 9.247 32.011 ( -2.760 0.000 1.677) 3.229 32.179 ( -4.448 0.000 -1.222) 4.613 32.311 ( 1.318 0.000 -3.037) 3.311 32.778 ( 12.330 0.000 1.306) 12.399 32.844 ( 8.797 0.000 0.534) 8.813 32.931 ( 7.467 0.000 -6.482) 9.888 33.146 ( 12.310 0.000 -0.948) 12.347 33.387 ( -2.875 0.000 -8.677) 9.140 33.658 ( -3.120 0.000 4.584) 5.545 33.883 ( -8.998 0.000 -17.572) 19.741 34.078 ( -6.782 0.000 -6.459) 9.366 34.156 ( -8.032 0.000 -5.870) 9.948 34.937 ( -0.878 0.000 -1.216) 1.500 35.035 ( -1.239 0.000 1.479) 1.930 35.131 ( 3.035 0.000 4.002) 5.023 35.167 ( 1.070 0.000 4.362) 4.491 35.714 ( 4.032 0.000 -9.766) 10.565 35.769 ( 4.120 0.000 0.078) 4.120 35.888 ( 6.585 0.000 0.095) 6.585 35.890 ( 5.482 0.000 -5.799) 7.980 36.071 ( 1.840 0.000 8.761) 8.952 36.129 ( 1.959 0.000 8.582) 8.803 36.464 ( -6.589 0.000 11.064) 12.877 36.618 ( -4.245 0.000 3.417) 5.449 37.008 ( 10.601 0.000 13.717) 17.336 37.812 ( -19.319 0.000 31.408) 36.874 38.108 ( -10.918 0.000 -9.760) 14.645 38.761 ( -16.357 0.000 -3.875) 16.810 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 14.489 0.000 6.968) 16.078 1.704 ( 14.924 0.000 15.294) 21.369 1.987 ( 4.637 0.000 1.122) 4.771 2.023 ( 10.646 0.000 0.475) 10.657 2.187 ( -6.326 0.000 -1.287) 6.455 2.300 ( 2.360 0.000 -1.773) 2.952 2.444 ( 9.674 0.000 12.581) 15.870 2.461 ( 0.547 0.000 -7.320) 7.341 2.624 ( 0.512 0.000 -5.246) 5.271 2.679 ( 6.919 0.000 12.261) 14.079 2.729 ( 3.538 0.000 5.348) 6.413 2.756 ( -8.914 0.000 -9.879) 13.306 2.844 ( 0.216 0.000 0.006) 0.216 2.882 ( -0.906 0.000 -1.698) 1.924 2.991 ( 14.756 0.000 12.588) 19.396 3.048 ( -2.960 0.000 6.285) 6.947 3.086 ( 1.977 0.000 -1.626) 2.560 3.107 ( 1.866 0.000 -6.241) 6.514 3.156 ( 6.979 0.000 13.159) 14.895 3.223 ( 1.021 0.000 6.967) 7.041 3.384 ( 4.127 0.000 -2.035) 4.602 3.432 ( 3.460 0.000 -6.962) 7.774 3.516 ( 3.513 0.000 16.123) 16.501 3.566 ( 1.151 0.000 -2.462) 2.718 3.647 ( 5.061 0.000 0.542) 5.090 3.670 ( 3.835 0.000 1.078) 3.983 3.812 ( 7.156 0.000 -3.428) 7.934 3.838 ( -1.568 0.000 -3.329) 3.680 3.852 ( -2.800 0.000 4.199) 5.047 3.864 ( 8.232 0.000 5.697) 10.011 4.069 ( 8.203 0.000 4.996) 9.604 4.149 ( -2.061 0.000 -5.373) 5.755 4.156 ( -2.014 0.000 -5.037) 5.425 4.293 ( 0.093 0.000 -8.029) 8.030 4.371 ( 2.898 0.000 -4.907) 5.699 4.405 ( 0.945 0.000 -1.255) 1.571 4.479 ( 5.009 0.000 5.831) 7.687 4.588 ( 5.702 0.000 -1.350) 5.860 4.681 ( -1.741 0.000 -3.197) 3.640 4.728 ( -0.227 0.000 -4.828) 4.833 4.780 ( 3.772 0.000 9.538) 10.257 4.944 ( -1.385 0.000 1.210) 1.839 4.949 ( 1.519 0.000 5.495) 5.701 4.989 ( 0.557 0.000 -1.775) 1.860 5.029 ( -4.591 0.000 -0.883) 4.675 5.137 ( -1.705 0.000 1.204) 2.088 5.304 ( -3.351 0.000 -3.259) 4.674 5.327 ( 3.432 0.000 -9.383) 9.991 5.371 ( -3.489 0.000 1.274) 3.714 5.378 ( -2.957 0.000 3.775) 4.795 5.509 ( -2.868 0.000 -4.053) 4.965 5.520 ( -0.249 0.000 -0.232) 0.340 5.703 ( -4.129 0.000 -1.759) 4.488 5.755 ( -5.575 0.000 -4.416) 7.112 5.790 ( 5.050 0.000 -0.841) 5.120 5.889 ( -2.955 0.000 0.364) 2.978 5.908 ( -4.111 0.000 1.927) 4.540 6.060 ( -2.360 0.000 -9.336) 9.629 6.110 ( 2.245 0.000 -1.206) 2.548 6.267 ( -0.188 0.000 0.015) 0.189 6.345 ( -4.945 0.000 -4.709) 6.828 6.417 ( -0.723 0.000 0.707) 1.011 6.514 ( 0.101 0.000 -1.053) 1.058 6.571 ( 3.448 0.000 -0.201) 3.454 6.705 ( 5.480 0.000 -0.575) 5.510 6.807 ( 4.633 0.000 2.976) 5.507 6.890 ( -1.707 0.000 0.681) 1.838 6.903 ( 7.642 0.000 9.300) 12.037 6.986 ( 3.161 0.000 0.435) 3.191 7.072 ( -0.777 0.000 3.484) 3.570 7.288 ( 0.388 0.000 1.848) 1.888 7.319 ( 2.228 0.000 -2.851) 3.618 7.371 ( -4.277 0.000 -2.831) 5.129 7.460 ( -6.141 0.000 0.365) 6.152 7.577 ( -2.467 0.000 5.910) 6.405 7.583 ( -6.640 0.000 -4.669) 8.117 7.930 ( -13.877 0.000 -3.587) 14.333 8.035 ( -13.685 0.000 -1.197) 13.738 8.310 ( -12.380 0.000 -4.000) 13.010 8.498 ( -11.620 0.000 1.533) 11.721 8.998 ( -0.446 0.000 3.635) 3.662 9.016 ( 1.549 0.000 2.530) 2.967 9.070 ( 5.515 0.000 -4.202) 6.934 9.328 ( 4.227 0.000 -0.196) 4.231 9.374 ( 2.782 0.000 -1.248) 3.049 9.445 ( 1.972 0.000 -0.028) 1.972 9.504 ( 4.060 0.000 -1.140) 4.217 9.508 ( 1.492 0.000 -2.152) 2.619 9.583 ( 5.393 0.000 -1.215) 5.528 9.634 ( 5.634 0.000 3.214) 6.487 9.758 ( 1.564 0.000 -0.985) 1.849 9.890 ( -7.318 0.000 -1.171) 7.411 9.910 ( -7.316 0.000 1.372) 7.443 9.974 ( -0.505 0.000 0.785) 0.933 10.075 ( -9.460 0.000 4.335) 10.406 10.114 ( -7.003 0.000 -1.635) 7.191 10.188 ( -9.498 0.000 1.382) 9.598 10.295 ( -6.362 0.000 -0.539) 6.385 10.462 ( -7.500 0.000 -4.062) 8.529 10.528 ( -4.610 0.000 -2.253) 5.132 10.605 ( -2.873 0.000 3.819) 4.779 10.739 ( -5.172 0.000 0.959) 5.260 10.967 ( -5.191 0.000 -0.305) 5.200 11.008 ( -2.938 0.000 -1.360) 3.237 11.756 ( 3.873 0.000 -0.007) 3.873 11.763 ( 4.006 0.000 0.370) 4.023 11.788 ( 7.822 0.000 -0.289) 7.827 11.802 ( 11.096 0.000 0.041) 11.096 12.148 ( 4.864 0.000 0.361) 4.878 12.148 ( -2.298 0.000 -1.120) 2.557 12.204 ( -1.555 0.000 2.926) 3.314 12.243 ( -3.157 0.000 -0.463) 3.191 12.407 ( -1.333 0.000 -0.510) 1.427 12.485 ( 3.087 0.000 0.829) 3.196 12.531 ( 0.469 0.000 -2.185) 2.234 12.579 ( 6.710 0.000 -0.513) 6.730 12.704 ( 4.455 0.000 1.581) 4.727 12.756 ( 1.377 0.000 -0.057) 1.379 12.986 ( -2.359 0.000 0.610) 2.437 13.006 ( -4.514 0.000 -0.740) 4.575 13.327 ( 6.077 0.000 -0.328) 6.086 13.379 ( 3.458 0.000 0.630) 3.515 13.720 ( -7.948 0.000 -0.138) 7.949 13.722 ( -8.451 0.000 0.492) 8.465 14.110 ( 7.961 0.000 -2.149) 8.246 14.120 ( 15.968 0.000 2.533) 16.168 14.299 ( -0.471 0.000 -0.843) 0.966 14.310 ( -1.464 0.000 0.306) 1.496 14.358 ( -0.635 0.000 -0.337) 0.718 14.454 ( 8.431 0.000 -0.149) 8.433 14.757 ( -2.834 0.000 1.815) 3.366 14.774 ( -5.176 0.000 -1.522) 5.395 15.137 ( 9.905 0.000 0.655) 9.926 15.245 ( 4.833 0.000 -1.215) 4.983 15.411 ( 3.036 0.000 0.734) 3.124 15.448 ( 4.346 0.000 1.183) 4.504 15.580 ( -2.578 0.000 0.694) 2.670 15.614 ( 0.053 0.000 -0.487) 0.490 15.655 ( 1.910 0.000 -0.562) 1.991 15.669 ( 5.921 0.000 0.189) 5.924 15.969 ( 3.102 0.000 2.714) 4.122 16.052 ( -2.304 0.000 -2.337) 3.281 16.058 ( 6.155 0.000 0.996) 6.235 16.158 ( 4.000 0.000 -7.532) 8.528 16.637 ( 0.080 0.000 0.334) 0.343 16.708 ( -2.223 0.000 -3.054) 3.777 16.718 ( 0.092 0.000 2.121) 2.123 16.783 ( 3.537 0.000 -1.826) 3.981 17.348 ( 0.609 0.000 1.002) 1.173 17.378 ( 0.719 0.000 0.911) 1.161 17.402 ( 0.895 0.000 -0.885) 1.259 17.472 ( 0.460 0.000 -0.580) 0.740 19.907 ( 7.773 0.000 2.030) 8.034 20.044 ( 4.328 0.000 -3.294) 5.439 20.179 ( 5.957 0.000 1.403) 6.120 20.195 ( 3.545 0.000 -3.078) 4.695 20.312 ( -6.056 0.000 0.702) 6.097 20.462 ( -5.913 0.000 0.486) 5.933 20.746 ( -2.260 0.000 -1.421) 2.670 20.834 ( -2.280 0.000 -0.859) 2.436 22.215 ( 5.236 0.000 0.510) 5.261 22.234 ( 7.519 0.000 0.565) 7.540 22.381 ( 8.620 0.000 -0.093) 8.621 22.413 ( 9.317 0.000 -0.012) 9.317 22.815 ( -8.695 0.000 -1.278) 8.788 22.931 ( -10.730 0.000 1.819) 10.883 22.999 ( -9.276 0.000 -0.470) 9.287 23.102 ( -10.419 0.000 -0.195) 10.420 27.073 ( 19.526 0.000 1.518) 19.585 27.175 ( 19.756 0.000 -2.606) 19.927 27.370 ( 26.359 0.000 7.081) 27.294 27.795 ( 16.686 0.000 -17.207) 23.969 28.315 ( -20.298 0.000 1.731) 20.372 28.411 ( -19.292 0.000 -2.557) 19.461 28.750 ( -17.222 0.000 2.497) 17.403 28.863 ( -19.022 0.000 -5.208) 19.722 30.341 ( 13.076 0.000 1.815) 13.201 30.350 ( 10.257 0.000 -1.298) 10.339 30.639 ( 3.483 0.000 1.835) 3.937 30.748 ( -0.625 0.000 -1.829) 1.933 31.046 ( 9.640 0.000 2.295) 9.910 31.049 ( 6.774 0.000 -2.364) 7.175 31.349 ( -1.405 0.000 -5.429) 5.607 31.406 ( 9.860 0.000 -1.050) 9.916 31.526 ( 0.414 0.000 -2.433) 2.468 31.583 ( -7.384 0.000 3.571) 8.202 31.836 ( -6.481 0.000 -1.413) 6.634 31.884 ( -9.398 0.000 -2.068) 9.623 31.921 ( 3.119 0.000 0.886) 3.243 32.137 ( -1.046 0.000 1.612) 1.922 32.393 ( 8.507 0.000 -0.694) 8.535 32.702 ( -5.865 0.000 -20.075) 20.914 32.970 ( 9.146 0.000 2.133) 9.391 33.067 ( 9.163 0.000 4.980) 10.429 33.323 ( 11.780 0.000 -1.356) 11.857 33.363 ( 8.774 0.000 -5.515) 10.363 33.668 ( -2.621 0.000 4.936) 5.589 33.689 ( -5.233 0.000 -1.586) 5.468 33.901 ( -7.472 0.000 -4.553) 8.749 33.944 ( -9.846 0.000 -6.240) 11.657 34.906 ( -1.074 0.000 -1.378) 1.747 35.017 ( -1.767 0.000 -0.180) 1.777 35.213 ( 2.243 0.000 3.320) 4.006 35.245 ( 1.945 0.000 4.419) 4.828 35.662 ( 1.434 0.000 -6.766) 6.916 35.831 ( 3.345 0.000 0.171) 3.350 35.900 ( 2.842 0.000 -3.881) 4.810 35.972 ( 5.119 0.000 -1.812) 5.431 36.219 ( 2.431 0.000 11.537) 11.790 36.300 ( 5.328 0.000 10.079) 11.400 36.445 ( -4.297 0.000 2.708) 5.079 36.592 ( -2.029 0.000 0.622) 2.122 37.306 ( 7.082 0.000 12.399) 14.279 37.806 ( -11.537 0.000 -10.903) 15.874 37.864 ( -9.182 0.000 16.437) 18.827 38.432 ( -17.425 0.000 -5.892) 18.394 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.025 0.000 1.290) 5.188 1.926 ( 1.087 0.000 -0.798) 1.349 2.026 ( 5.126 0.000 5.234) 7.326 2.088 ( -2.574 0.000 3.301) 4.186 2.249 ( -1.243 0.000 -8.270) 8.363 2.298 ( -4.770 0.000 -4.120) 6.303 2.357 ( 13.295 0.000 5.762) 14.490 2.519 ( -4.517 0.000 -4.060) 6.074 2.626 ( 2.261 0.000 3.147) 3.875 2.728 ( -6.070 0.000 -1.103) 6.170 2.752 ( -3.011 0.000 1.923) 3.573 2.781 ( 6.493 0.000 4.913) 8.143 2.807 ( 0.482 0.000 2.353) 2.402 2.906 ( 1.500 0.000 7.577) 7.724 3.028 ( 0.687 0.000 -9.571) 9.596 3.144 ( -1.958 0.000 -3.534) 4.040 3.188 ( 8.051 0.000 4.112) 9.040 3.264 ( 5.998 0.000 2.122) 6.362 3.296 ( 1.612 0.000 9.128) 9.269 3.403 ( -0.587 0.000 -4.935) 4.969 3.418 ( 7.689 0.000 5.202) 9.283 3.463 ( 5.728 0.000 4.115) 7.053 3.545 ( -0.410 0.000 -1.545) 1.598 3.650 ( -2.714 0.000 -0.435) 2.748 3.693 ( -0.524 0.000 5.727) 5.751 3.756 ( -2.596 0.000 2.110) 3.346 3.759 ( 1.799 0.000 -9.412) 9.582 3.855 ( 3.265 0.000 2.640) 4.199 3.909 ( 4.143 0.000 0.637) 4.192 3.992 ( 2.333 0.000 1.885) 2.999 4.062 ( -2.854 0.000 -1.702) 3.323 4.069 ( -1.726 0.000 -1.299) 2.160 4.216 ( 0.209 0.000 -1.306) 1.323 4.246 ( 5.525 0.000 3.980) 6.809 4.339 ( 0.594 0.000 -5.415) 5.447 4.406 ( 1.661 0.000 -1.540) 2.265 4.581 ( -2.416 0.000 -3.510) 4.261 4.601 ( 0.523 0.000 3.905) 3.940 4.634 ( -0.616 0.000 -0.747) 0.968 4.674 ( 6.496 0.000 -3.593) 7.423 4.850 ( -10.759 0.000 -1.133) 10.818 4.956 ( 0.771 0.000 1.306) 1.517 4.998 ( 2.754 0.000 8.115) 8.570 5.027 ( 4.836 0.000 1.175) 4.977 5.074 ( 4.163 0.000 3.147) 5.219 5.155 ( -2.948 0.000 -0.126) 2.951 5.228 ( -0.907 0.000 2.989) 3.123 5.293 ( -1.039 0.000 -2.682) 2.876 5.326 ( -0.178 0.000 -0.213) 0.278 5.342 ( -3.330 0.000 -2.698) 4.286 5.460 ( 3.342 0.000 -5.151) 6.141 5.516 ( 0.004 0.000 -0.309) 0.309 5.594 ( -7.686 0.000 0.996) 7.750 5.645 ( -1.329 0.000 -2.111) 2.495 5.735 ( -2.581 0.000 -6.197) 6.713 5.862 ( -0.852 0.000 -0.211) 0.878 5.887 ( -1.146 0.000 0.998) 1.520 6.050 ( 4.671 0.000 1.966) 5.068 6.149 ( 1.073 0.000 1.360) 1.732 6.184 ( -6.081 0.000 -6.173) 8.666 6.271 ( 0.845 0.000 -0.559) 1.013 6.395 ( -1.260 0.000 -0.528) 1.366 6.498 ( -0.584 0.000 -0.468) 0.749 6.592 ( 0.804 0.000 0.858) 1.176 6.864 ( 1.676 0.000 3.506) 3.885 6.907 ( 2.991 0.000 2.194) 3.709 6.920 ( 13.084 0.000 -1.573) 13.178 7.060 ( 5.963 0.000 0.440) 5.979 7.076 ( 2.837 0.000 4.589) 5.395 7.134 ( -1.133 0.000 3.685) 3.855 7.165 ( -9.770 0.000 -1.849) 9.943 7.210 ( -7.768 0.000 -2.900) 8.292 7.345 ( -0.924 0.000 1.209) 1.522 7.412 ( -5.474 0.000 -5.456) 7.729 7.489 ( 6.039 0.000 -0.483) 6.058 7.588 ( -2.811 0.000 3.830) 4.751 7.781 ( -2.039 0.000 -1.587) 2.584 7.832 ( -8.379 0.000 -1.757) 8.561 8.125 ( -5.269 0.000 -2.822) 5.977 8.370 ( -5.155 0.000 0.087) 5.155 9.028 ( 0.031 0.000 1.842) 1.842 9.060 ( 0.981 0.000 1.075) 1.455 9.119 ( 3.303 0.000 -1.383) 3.581 9.360 ( 0.224 0.000 0.357) 0.421 9.431 ( 4.544 0.000 -0.592) 4.582 9.474 ( 3.726 0.000 -1.769) 4.124 9.510 ( -1.669 0.000 1.353) 2.149 9.548 ( 1.966 0.000 -0.173) 1.974 9.640 ( 3.083 0.000 -0.419) 3.112 9.733 ( -6.805 0.000 -0.658) 6.837 9.743 ( 2.685 0.000 1.006) 2.867 9.753 ( 0.449 0.000 0.368) 0.581 9.846 ( -7.584 0.000 -1.072) 7.659 9.854 ( -3.081 0.000 0.337) 3.099 10.017 ( -2.626 0.000 -1.254) 2.910 10.061 ( -2.396 0.000 0.818) 2.532 10.163 ( 2.524 0.000 5.049) 5.645 10.229 ( -1.988 0.000 0.028) 1.988 10.298 ( -6.700 0.000 -4.915) 8.309 10.465 ( -1.334 0.000 -0.885) 1.601 10.622 ( -0.551 0.000 2.479) 2.540 10.695 ( -1.725 0.000 0.644) 1.841 10.900 ( -2.002 0.000 -0.852) 2.176 10.964 ( -1.052 0.000 -0.661) 1.243 11.797 ( 1.303 0.000 0.075) 1.305 11.799 ( 0.883 0.000 0.239) 0.915 11.879 ( 3.454 0.000 -0.386) 3.475 11.931 ( 4.614 0.000 0.002) 4.614 12.108 ( -1.119 0.000 -0.554) 1.249 12.197 ( -1.803 0.000 -0.212) 1.816 12.201 ( 1.386 0.000 -0.299) 1.418 12.215 ( -0.720 0.000 1.911) 2.042 12.396 ( -0.186 0.000 0.252) 0.313 12.532 ( 1.485 0.000 0.544) 1.582 12.533 ( 1.753 0.000 -1.025) 2.030 12.676 ( 5.878 0.000 -0.315) 5.887 12.744 ( -2.739 0.000 -0.058) 2.740 12.780 ( 3.764 0.000 0.650) 3.820 12.903 ( -5.925 0.000 -0.848) 5.985 12.960 ( -1.398 0.000 0.395) 1.452 13.439 ( 7.909 0.000 -0.286) 7.914 13.453 ( 4.240 0.000 0.305) 4.251 13.597 ( -8.009 0.000 0.413) 8.020 13.614 ( -5.098 0.000 -0.035) 5.098 14.195 ( 3.967 0.000 -0.197) 3.972 14.261 ( 0.117 0.000 -0.354) 0.373 14.290 ( -1.355 0.000 -0.075) 1.357 14.296 ( 0.690 0.000 1.021) 1.232 14.448 ( 11.711 0.000 0.302) 11.715 14.581 ( 7.947 0.000 -1.053) 8.017 14.636 ( -9.918 0.000 -0.973) 9.965 14.712 ( -5.525 0.000 1.930) 5.852 15.285 ( 7.751 0.000 0.228) 7.754 15.300 ( 4.690 0.000 -1.582) 4.949 15.401 ( -4.360 0.000 0.610) 4.403 15.427 ( -6.046 0.000 1.223) 6.168 15.603 ( 3.059 0.000 1.255) 3.306 15.648 ( 4.416 0.000 -0.655) 4.464 15.653 ( -1.086 0.000 -1.264) 1.666 15.700 ( -2.328 0.000 1.038) 2.549 16.035 ( 1.046 0.000 -0.574) 1.193 16.036 ( 2.431 0.000 0.642) 2.514 16.142 ( 1.396 0.000 -2.718) 3.055 16.156 ( 3.551 0.000 0.457) 3.580 16.649 ( 0.910 0.000 0.281) 0.952 16.655 ( -1.328 0.000 -0.806) 1.553 16.717 ( -1.640 0.000 0.801) 1.825 16.804 ( 0.997 0.000 -0.610) 1.169 17.372 ( 0.888 0.000 0.904) 1.267 17.398 ( -0.157 0.000 -0.840) 0.855 17.406 ( 1.089 0.000 0.894) 1.409 17.463 ( -0.432 0.000 -0.756) 0.871 20.059 ( 7.722 0.000 2.605) 8.150 20.082 ( 3.829 0.000 -2.079) 4.357 20.178 ( -2.286 0.000 -2.982) 3.757 20.223 ( -3.791 0.000 1.290) 4.005 20.289 ( 2.954 0.000 0.862) 3.077 20.387 ( -3.030 0.000 0.175) 3.035 20.708 ( -1.085 0.000 -0.479) 1.186 20.787 ( -1.765 0.000 -0.795) 1.936 22.300 ( 4.060 0.000 0.346) 4.074 22.330 ( 4.069 0.000 -0.177) 4.073 22.512 ( 6.522 0.000 -0.334) 6.531 22.526 ( 4.024 0.000 -1.158) 4.188 22.705 ( -2.877 0.000 0.411) 2.906 22.817 ( -5.525 0.000 2.498) 6.064 22.861 ( -6.164 0.000 -1.412) 6.324 22.951 ( -7.005 0.000 -0.366) 7.015 27.378 ( 14.417 0.000 1.512) 14.496 27.407 ( 11.417 0.000 -1.777) 11.555 27.835 ( 2.993 0.000 -5.296) 6.084 27.857 ( 21.414 0.000 8.082) 22.888 28.070 ( -11.240 0.000 1.444) 11.333 28.138 ( -8.495 0.000 -3.038) 9.022 28.486 ( -18.321 0.000 -7.051) 19.631 28.549 ( -9.602 0.000 1.724) 9.755 30.452 ( 3.884 0.000 -0.569) 3.925 30.530 ( 7.656 0.000 2.038) 7.923 30.687 ( 0.933 0.000 0.745) 1.194 30.696 ( -2.933 0.000 -2.019) 3.561 31.144 ( 8.566 0.000 -2.404) 8.897 31.232 ( 10.169 0.000 2.027) 10.369 31.253 ( -7.616 0.000 1.124) 7.699 31.458 ( -9.630 0.000 0.602) 9.649 31.513 ( 1.254 0.000 -1.933) 2.304 31.548 ( 10.080 0.000 -2.110) 10.298 31.699 ( -11.013 0.000 -0.047) 11.013 31.746 ( -3.200 0.000 -0.432) 3.229 31.999 ( 2.946 0.000 0.765) 3.043 32.177 ( 1.064 0.000 4.153) 4.288 32.425 ( -3.718 0.000 -11.807) 12.379 32.488 ( 3.728 0.000 -0.470) 3.758 33.092 ( 3.391 0.000 1.356) 3.652 33.247 ( 5.359 0.000 4.048) 6.716 33.443 ( 6.540 0.000 -3.587) 7.459 33.460 ( 6.548 0.000 -1.201) 6.657 33.630 ( -2.773 0.000 1.713) 3.259 33.688 ( -0.439 0.000 3.102) 3.133 33.739 ( -7.324 0.000 -3.895) 8.295 33.758 ( -5.435 0.000 -2.141) 5.842 34.880 ( -0.510 0.000 -0.621) 0.803 34.989 ( -0.861 0.000 -0.409) 0.953 35.270 ( 0.901 0.000 1.739) 1.959 35.307 ( 1.005 0.000 1.810) 2.070 35.617 ( 0.218 0.000 -2.785) 2.793 35.869 ( 1.218 0.000 0.105) 1.223 35.895 ( 0.724 0.000 -1.541) 1.703 36.009 ( 1.686 0.000 -0.845) 1.885 36.372 ( 2.177 0.000 6.283) 6.650 36.417 ( -1.412 0.000 0.488) 1.494 36.469 ( 3.429 0.000 4.895) 5.976 36.573 ( -0.613 0.000 -0.059) 0.616 37.481 ( 2.600 0.000 4.569) 5.257 37.561 ( -5.612 0.000 -5.645) 7.960 37.893 ( -2.914 0.000 5.249) 6.004 38.156 ( -8.343 0.000 -3.621) 9.095 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 26.685 0.000) 26.685 0.638 ( 0.000 32.976 0.000) 32.976 1.130 ( 0.000 56.303 0.000) 56.303 1.470 ( 0.000 -18.180 0.000) 18.180 1.808 ( 0.000 -23.353 0.000) 23.353 1.902 ( 0.000 7.182 0.000) 7.182 2.234 ( 0.000 2.332 0.000) 2.332 2.379 ( 0.000 6.535 0.000) 6.535 2.508 ( 0.000 6.664 0.000) 6.664 2.615 ( 0.000 4.030 0.000) 4.030 2.627 ( 0.000 -7.613 0.000) 7.613 2.759 ( 0.000 -3.609 0.000) 3.609 2.796 ( 0.000 -4.798 0.000) 4.798 2.817 ( 0.000 -6.820 0.000) 6.820 2.977 ( 0.000 2.264 0.000) 2.264 3.056 ( 0.000 1.560 0.000) 1.560 3.134 ( 0.000 -5.657 0.000) 5.657 3.143 ( 0.000 7.221 0.000) 7.221 3.157 ( 0.000 -2.359 0.000) 2.359 3.233 ( 0.000 0.494 0.000) 0.494 3.285 ( 0.000 0.421 0.000) 0.421 3.330 ( 0.000 4.109 0.000) 4.109 3.394 ( 0.000 3.869 0.000) 3.869 3.451 ( 0.000 3.080 0.000) 3.080 3.621 ( 0.000 0.749 0.000) 0.749 3.632 ( 0.000 5.529 0.000) 5.529 3.655 ( 0.000 -10.983 0.000) 10.983 3.706 ( 0.000 2.716 0.000) 2.716 3.744 ( 0.000 -11.873 0.000) 11.873 3.827 ( 0.000 7.745 0.000) 7.745 3.890 ( 0.000 7.803 0.000) 7.803 3.922 ( 0.000 -5.664 0.000) 5.664 4.075 ( 0.000 12.620 0.000) 12.620 4.170 ( 0.000 -2.837 0.000) 2.837 4.262 ( 0.000 -0.786 0.000) 0.786 4.357 ( 0.000 -6.741 0.000) 6.741 4.398 ( 0.000 4.758 0.000) 4.758 4.473 ( 0.000 -1.617 0.000) 1.617 4.474 ( 0.000 -1.783 0.000) 1.783 4.768 ( 0.000 -11.812 0.000) 11.812 4.835 ( 0.000 -4.262 0.000) 4.262 4.886 ( 0.000 -6.248 0.000) 6.248 5.086 ( 0.000 3.425 0.000) 3.425 5.089 ( 0.000 6.839 0.000) 6.839 5.191 ( 0.000 0.444 0.000) 0.444 5.260 ( 0.000 -0.424 0.000) 0.424 5.269 ( 0.000 3.510 0.000) 3.510 5.293 ( 0.000 7.275 0.000) 7.275 5.380 ( 0.000 -0.033 0.000) 0.033 5.393 ( 0.000 3.810 0.000) 3.810 5.455 ( 0.000 -5.560 0.000) 5.560 5.638 ( 0.000 -1.935 0.000) 1.935 5.801 ( 0.000 -1.394 0.000) 1.394 5.806 ( 0.000 -0.667 0.000) 0.667 5.931 ( 0.000 2.760 0.000) 2.760 6.033 ( 0.000 -4.298 0.000) 4.298 6.121 ( 0.000 -0.092 0.000) 0.092 6.134 ( 0.000 -2.571 0.000) 2.571 6.150 ( 0.000 -4.547 0.000) 4.547 6.186 ( 0.000 -2.952 0.000) 2.952 6.322 ( 0.000 0.171 0.000) 0.171 6.425 ( 0.000 -5.697 0.000) 5.697 6.517 ( 0.000 6.674 0.000) 6.674 6.542 ( 0.000 -3.371 0.000) 3.371 6.687 ( 0.000 1.962 0.000) 1.962 6.852 ( 0.000 0.168 0.000) 0.168 6.913 ( 0.000 -2.663 0.000) 2.663 6.915 ( 0.000 -1.481 0.000) 1.481 6.958 ( 0.000 1.139 0.000) 1.139 7.051 ( 0.000 -5.433 0.000) 5.433 7.165 ( 0.000 -0.007 0.000) 0.007 7.207 ( 0.000 -2.113 0.000) 2.113 7.424 ( 0.000 4.822 0.000) 4.822 7.505 ( 0.000 -0.931 0.000) 0.931 7.624 ( 0.000 1.294 0.000) 1.294 7.632 ( 0.000 0.034 0.000) 0.034 8.647 ( 0.000 5.372 0.000) 5.372 8.835 ( 0.000 -0.668 0.000) 0.668 8.865 ( 0.000 1.829 0.000) 1.829 8.916 ( 0.000 6.221 0.000) 6.221 8.959 ( 0.000 0.880 0.000) 0.880 9.068 ( 0.000 0.208 0.000) 0.208 9.145 ( 0.000 1.180 0.000) 1.180 9.176 ( 0.000 -5.389 0.000) 5.389 9.250 ( 0.000 -3.833 0.000) 3.833 9.324 ( 0.000 -0.902 0.000) 0.902 9.380 ( 0.000 -5.278 0.000) 5.278 9.383 ( 0.000 -4.864 0.000) 4.864 9.441 ( 0.000 0.528 0.000) 0.528 9.458 ( 0.000 -1.168 0.000) 1.168 9.561 ( 0.000 2.845 0.000) 2.845 9.710 ( 0.000 -4.685 0.000) 4.685 9.830 ( 0.000 4.174 0.000) 4.174 10.142 ( 0.000 -10.762 0.000) 10.762 10.347 ( 0.000 11.742 0.000) 11.742 10.482 ( 0.000 5.744 0.000) 5.744 10.526 ( 0.000 1.075 0.000) 1.075 10.724 ( 0.000 2.310 0.000) 2.310 10.786 ( 0.000 -6.450 0.000) 6.450 10.887 ( 0.000 -2.816 0.000) 2.816 10.897 ( 0.000 2.692 0.000) 2.692 11.003 ( 0.000 5.116 0.000) 5.116 11.048 ( 0.000 -3.946 0.000) 3.946 11.199 ( 0.000 -1.627 0.000) 1.627 11.256 ( 0.000 4.496 0.000) 4.496 11.270 ( 0.000 4.253 0.000) 4.253 11.566 ( 0.000 -10.679 0.000) 10.679 11.625 ( 0.000 -10.407 0.000) 10.407 11.958 ( 0.000 6.202 0.000) 6.202 12.232 ( 0.000 -5.304 0.000) 5.304 12.233 ( 0.000 3.977 0.000) 3.977 12.394 ( 0.000 -0.218 0.000) 0.218 12.463 ( 0.000 1.774 0.000) 1.774 12.486 ( 0.000 2.262 0.000) 2.262 12.507 ( 0.000 5.215 0.000) 5.215 12.549 ( 0.000 7.225 0.000) 7.225 12.620 ( 0.000 6.196 0.000) 6.196 12.832 ( 0.000 2.493 0.000) 2.493 12.934 ( 0.000 -5.206 0.000) 5.206 12.988 ( 0.000 -4.584 0.000) 4.584 13.297 ( 0.000 4.416 0.000) 4.416 13.357 ( 0.000 -3.157 0.000) 3.157 13.366 ( 0.000 -0.974 0.000) 0.974 13.445 ( 0.000 -2.056 0.000) 2.056 14.152 ( 0.000 11.488 0.000) 11.488 14.227 ( 0.000 2.175 0.000) 2.175 14.322 ( 0.000 7.920 0.000) 7.920 14.363 ( 0.000 -3.612 0.000) 3.612 14.465 ( 0.000 -2.742 0.000) 2.742 14.568 ( 0.000 0.258 0.000) 0.258 14.647 ( 0.000 1.209 0.000) 1.209 14.684 ( 0.000 -0.769 0.000) 0.769 14.830 ( 0.000 -1.279 0.000) 1.279 14.981 ( 0.000 -8.457 0.000) 8.457 15.052 ( 0.000 1.062 0.000) 1.062 15.158 ( 0.000 9.989 0.000) 9.989 15.173 ( 0.000 -3.725 0.000) 3.725 15.666 ( 0.000 -9.129 0.000) 9.129 15.826 ( 0.000 1.394 0.000) 1.394 15.860 ( 0.000 1.406 0.000) 1.406 15.891 ( 0.000 -1.038 0.000) 1.038 15.947 ( 0.000 -3.515 0.000) 3.515 16.251 ( 0.000 3.632 0.000) 3.632 16.372 ( 0.000 -1.233 0.000) 1.233 16.565 ( 0.000 1.127 0.000) 1.127 16.596 ( 0.000 0.625 0.000) 0.625 16.645 ( 0.000 -1.954 0.000) 1.954 16.660 ( 0.000 -1.969 0.000) 1.969 17.346 ( 0.000 0.573 0.000) 0.573 17.361 ( 0.000 -0.066 0.000) 0.066 17.400 ( 0.000 0.506 0.000) 0.506 17.422 ( 0.000 -0.363 0.000) 0.363 19.733 ( 0.000 4.657 0.000) 4.657 19.982 ( 0.000 2.527 0.000) 2.527 19.997 ( 0.000 -6.223 0.000) 6.223 20.105 ( 0.000 -2.434 0.000) 2.434 20.514 ( 0.000 1.124 0.000) 1.124 20.565 ( 0.000 -0.932 0.000) 0.932 20.825 ( 0.000 0.985 0.000) 0.985 20.876 ( 0.000 -1.069 0.000) 1.069 21.982 ( 0.000 0.532 0.000) 0.532 22.017 ( 0.000 -0.866 0.000) 0.866 22.145 ( 0.000 1.313 0.000) 1.313 22.216 ( 0.000 -1.643 0.000) 1.643 23.138 ( 0.000 2.116 0.000) 2.116 23.251 ( 0.000 -2.619 0.000) 2.619 23.341 ( 0.000 0.667 0.000) 0.667 23.370 ( 0.000 -0.492 0.000) 0.492 26.523 ( 0.000 0.152 0.000) 0.152 26.530 ( 0.000 -0.134 0.000) 0.134 26.549 ( 0.000 0.135 0.000) 0.135 26.555 ( 0.000 -0.110 0.000) 0.110 29.071 ( 0.000 1.528 0.000) 1.528 29.140 ( 0.000 -1.234 0.000) 1.234 29.285 ( 0.000 4.152 0.000) 4.152 29.508 ( 0.000 -5.135 0.000) 5.135 29.762 ( 0.000 9.796 0.000) 9.796 30.181 ( 0.000 -7.289 0.000) 7.289 30.739 ( 0.000 0.133 0.000) 0.133 30.745 ( 0.000 -0.119 0.000) 0.119 30.928 ( 0.000 1.450 0.000) 1.450 30.976 ( 0.000 1.790 0.000) 1.790 31.011 ( 0.000 -1.980 0.000) 1.980 31.075 ( 0.000 -2.415 0.000) 2.415 31.549 ( 0.000 4.962 0.000) 4.962 31.783 ( 0.000 -4.467 0.000) 4.467 32.160 ( 0.000 2.654 0.000) 2.654 32.245 ( 0.000 2.208 0.000) 2.208 32.292 ( 0.000 -3.248 0.000) 3.248 32.353 ( 0.000 -1.801 0.000) 1.801 32.586 ( 0.000 0.218 0.000) 0.218 32.614 ( 0.000 -0.503 0.000) 0.503 32.666 ( 0.000 1.228 0.000) 1.228 32.685 ( 0.000 0.053 0.000) 0.053 33.518 ( 0.000 0.141 0.000) 0.141 33.531 ( 0.000 -0.368 0.000) 0.368 34.318 ( 0.000 0.692 0.000) 0.692 34.358 ( 0.000 -0.952 0.000) 0.952 34.723 ( 0.000 0.723 0.000) 0.723 34.754 ( 0.000 -0.578 0.000) 0.578 34.906 ( 0.000 0.682 0.000) 0.682 34.948 ( 0.000 -1.226 0.000) 1.226 35.037 ( 0.000 1.011 0.000) 1.011 35.068 ( 0.000 -0.413 0.000) 0.413 35.651 ( 0.000 2.036 0.000) 2.036 35.702 ( 0.000 1.164 0.000) 1.164 35.743 ( 0.000 -1.662 0.000) 1.662 35.760 ( 0.000 -1.130 0.000) 1.130 35.930 ( 0.000 0.438 0.000) 0.438 35.987 ( 0.000 -2.767 0.000) 2.767 36.156 ( 0.000 3.978 0.000) 3.978 36.273 ( 0.000 -1.625 0.000) 1.625 36.716 ( 0.000 -0.084 0.000) 0.084 36.727 ( 0.000 -0.558 0.000) 0.558 38.670 ( 0.000 6.860 0.000) 6.860 39.008 ( 0.000 -7.012 0.000) 7.012 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 14.673 22.532 10.401) 28.830 0.991 ( 21.304 17.960 23.286) 36.314 1.391 ( 26.477 37.462 7.465) 46.477 1.627 ( 2.805 -15.234 15.001) 21.563 1.777 ( 1.572 -16.808 3.233) 17.188 1.963 ( 9.172 5.256 -2.039) 10.766 2.237 ( 1.572 -3.007 2.110) 3.995 2.322 ( -2.411 5.185 -3.626) 6.771 2.466 ( -7.649 1.686 -8.586) 11.622 2.611 ( 3.493 4.747 4.887) 7.657 2.671 ( 4.301 -1.459 0.892) 4.628 2.723 ( -2.974 -2.835 7.850) 8.860 2.825 ( -4.678 -3.752 1.738) 6.243 2.865 ( 1.789 -5.850 -0.805) 6.171 2.926 ( -2.090 4.977 1.943) 5.737 3.058 ( 3.444 2.539 -10.177) 11.040 3.088 ( -1.549 2.606 -3.341) 4.511 3.127 ( -2.861 -1.538 -3.523) 4.792 3.218 ( 6.893 -4.087 -1.393) 8.134 3.286 ( 1.673 1.095 9.525) 9.733 3.295 ( -1.042 -3.302 3.344) 4.814 3.395 ( -1.094 3.222 6.113) 6.996 3.435 ( 1.258 5.489 5.285) 7.723 3.495 ( 9.431 2.920 1.276) 9.955 3.523 ( -6.843 1.002 -0.517) 6.935 3.620 ( -1.292 0.887 0.676) 1.706 3.669 ( -3.738 2.508 0.911) 4.593 3.707 ( -0.165 -7.491 -2.868) 8.023 3.748 ( 8.462 -2.096 -4.623) 9.867 3.849 ( -0.747 2.761 -0.001) 2.860 3.913 ( 9.461 -3.224 -1.653) 10.131 3.972 ( 2.176 1.855 0.814) 2.973 4.121 ( 5.466 3.996 -0.341) 6.779 4.154 ( -0.315 -8.314 -4.159) 9.302 4.306 ( 3.993 4.823 1.667) 6.479 4.338 ( 0.564 -2.068 0.139) 2.148 4.429 ( 4.264 6.156 -2.656) 7.945 4.476 ( 4.751 0.548 2.284) 5.300 4.590 ( 1.975 -0.688 1.055) 2.342 4.729 ( 0.418 -6.838 -0.665) 6.883 4.870 ( 0.374 -3.769 -0.422) 3.810 4.931 ( -1.112 -6.300 0.689) 6.435 5.075 ( -3.423 0.013 -2.541) 4.263 5.096 ( -4.658 5.488 4.525) 8.503 5.156 ( -5.479 -6.961 11.754) 14.718 5.223 ( -1.018 4.243 -1.523) 4.622 5.272 ( 0.827 1.024 -0.215) 1.334 5.333 ( 2.815 5.759 -2.087) 6.741 5.363 ( 2.620 0.313 -0.276) 2.653 5.418 ( 2.040 -1.944 -6.305) 6.906 5.489 ( 4.176 -1.807 0.103) 4.551 5.638 ( -0.075 -0.290 0.729) 0.788 5.763 ( -1.839 -0.590 -1.956) 2.749 5.834 ( -1.679 4.750 -1.920) 5.391 5.855 ( -3.299 0.519 -2.448) 4.140 5.982 ( -1.941 1.463 -5.608) 6.112 6.017 ( -1.600 -2.835 -0.593) 3.309 6.120 ( -1.658 -5.680 -0.465) 5.935 6.141 ( 3.478 -3.716 -7.380) 8.965 6.243 ( -1.128 -4.561 7.392) 8.759 6.347 ( 1.050 -2.990 -2.538) 4.060 6.417 ( -2.106 -6.789 -0.738) 7.146 6.501 ( -1.187 1.337 -0.398) 1.832 6.519 ( 2.832 2.562 -1.348) 4.050 6.620 ( -3.102 3.956 -2.275) 5.518 6.794 ( -7.034 -1.483 0.041) 7.189 6.838 ( -1.445 1.313 -4.472) 4.880 6.930 ( -0.821 -1.236 0.528) 1.575 6.977 ( 0.733 1.276 1.941) 2.436 7.049 ( -1.677 -2.673 2.027) 3.750 7.208 ( 2.021 -0.583 2.744) 3.458 7.236 ( 0.241 -1.487 1.856) 2.390 7.450 ( -1.807 1.851 5.135) 5.749 7.516 ( -0.556 -1.187 3.215) 3.472 7.561 ( -1.526 4.004 0.822) 4.363 7.684 ( 1.378 -0.941 0.016) 1.669 8.534 ( -12.658 5.211 0.765) 13.710 8.615 ( -18.185 1.620 -1.299) 18.303 8.784 ( -14.394 -2.909 -0.506) 14.693 8.833 ( -11.808 -3.514 0.986) 12.359 8.964 ( 0.972 5.061 1.229) 5.298 9.074 ( -3.502 4.458 0.699) 5.712 9.130 ( -0.512 -0.802 -2.247) 2.440 9.164 ( 5.376 -0.919 -1.854) 5.760 9.316 ( 3.067 -2.431 -0.201) 3.919 9.327 ( 3.730 -0.821 -1.369) 4.057 9.380 ( 3.168 -4.435 -1.459) 5.642 9.421 ( 3.187 -3.868 -1.769) 5.315 9.455 ( 2.105 0.383 1.098) 2.405 9.480 ( 2.711 -1.465 -0.526) 3.127 9.610 ( 6.042 1.186 -0.567) 6.183 9.771 ( 4.980 -5.496 0.899) 7.471 9.856 ( 1.649 3.812 2.107) 4.657 10.136 ( -1.758 -8.825 1.549) 9.131 10.310 ( -5.580 10.075 1.087) 11.568 10.416 ( -7.570 3.027 -0.211) 8.156 10.469 ( -7.238 1.070 0.711) 7.351 10.637 ( -9.300 1.110 -0.912) 9.410 10.724 ( -7.884 -4.254 0.172) 8.960 10.791 ( -7.030 -0.072 -1.834) 7.265 10.852 ( -6.615 2.033 -0.562) 6.943 10.939 ( -4.821 5.263 -1.754) 7.349 11.030 ( -3.700 -4.028 1.590) 5.696 11.156 ( -3.293 -2.105 -1.012) 4.037 11.379 ( 12.062 1.132 -0.382) 12.121 11.392 ( 12.567 1.761 -0.009) 12.690 11.591 ( 2.945 -8.467 0.322) 8.970 11.625 ( 2.124 -7.070 -0.399) 7.393 11.995 ( 4.047 4.779 0.199) 6.266 12.231 ( -0.541 3.336 0.467) 3.412 12.252 ( 3.039 -4.464 -0.492) 5.423 12.372 ( -3.860 3.626 -0.192) 5.300 12.427 ( -3.634 1.569 -0.659) 4.013 12.442 ( -0.521 -0.217 -0.311) 0.644 12.515 ( -0.647 2.023 0.488) 2.179 12.552 ( 0.368 4.782 0.012) 4.796 12.620 ( 0.957 7.602 -0.470) 7.676 12.804 ( -0.007 6.935 0.422) 6.947 12.946 ( 0.973 -5.249 -0.220) 5.343 13.010 ( 0.527 -3.042 0.772) 3.182 13.300 ( 1.586 5.516 -0.233) 5.744 13.342 ( 0.245 -0.421 0.047) 0.490 13.515 ( 8.947 -4.032 -0.429) 9.823 13.587 ( 15.139 -12.637 -0.942) 19.742 14.153 ( -5.109 13.446 1.426) 14.454 14.206 ( -3.870 4.441 0.300) 5.898 14.213 ( -2.195 4.413 -1.386) 5.120 14.365 ( -0.742 -2.704 0.362) 2.828 14.399 ( -5.012 0.400 -0.930) 5.114 14.567 ( 2.266 4.825 -1.990) 5.689 14.698 ( 6.705 1.687 -0.023) 6.914 14.767 ( 3.775 -0.571 1.348) 4.049 14.881 ( 5.501 -1.375 1.027) 5.762 15.042 ( 8.658 -0.231 0.199) 8.663 15.147 ( 7.100 -0.637 -0.080) 7.129 15.176 ( 7.341 -1.238 -0.658) 7.474 15.304 ( 13.423 3.254 -3.063) 14.147 15.656 ( -4.538 -6.476 2.476) 8.287 15.715 ( -8.498 7.400 -4.757) 12.232 15.779 ( -5.916 1.774 0.044) 6.176 15.853 ( -2.769 1.197 0.132) 3.020 15.937 ( -0.887 -3.733 1.480) 4.113 16.114 ( 8.968 3.930 -13.843) 16.956 16.322 ( -4.778 -3.814 -3.975) 7.292 16.587 ( 3.342 0.630 0.097) 3.402 16.623 ( 3.111 1.156 -0.458) 3.350 16.658 ( 3.300 -1.699 -0.751) 3.787 16.778 ( 9.360 -5.910 -9.163) 14.370 17.341 ( -0.369 1.063 0.401) 1.195 17.367 ( -0.073 -0.253 0.296) 0.396 17.403 ( 0.524 0.817 -0.450) 1.070 17.433 ( 1.119 -0.507 0.228) 1.249 19.753 ( 2.222 4.201 0.400) 4.769 19.987 ( 2.458 -2.789 -3.044) 4.805 20.015 ( 1.623 -0.786 1.446) 2.311 20.114 ( 2.939 -2.333 -2.316) 4.410 20.493 ( -2.473 1.623 -0.567) 3.012 20.555 ( -1.537 -1.038 0.252) 1.871 20.834 ( -0.096 0.192 -0.109) 0.240 20.869 ( -0.539 -0.802 -0.130) 0.975 21.999 ( 4.315 2.703 0.792) 5.154 22.084 ( 0.675 -1.490 5.744) 5.973 22.168 ( 4.351 0.123 -1.514) 4.609 22.231 ( 2.053 -1.620 -0.481) 2.659 23.094 ( -4.222 2.026 -1.633) 4.959 23.205 ( -3.544 -2.482 -3.219) 5.392 23.263 ( -10.632 0.153 2.928) 11.029 23.297 ( -7.248 -2.454 1.685) 7.836 26.594 ( 9.076 0.556 0.011) 9.093 26.620 ( 11.773 -0.418 -0.056) 11.780 26.669 ( 15.425 2.574 0.132) 15.639 27.041 ( 43.559 -26.536 -10.136) 52.003 28.976 ( -13.040 3.070 0.000) 13.397 29.058 ( -11.191 1.199 0.816) 11.284 29.145 ( -14.429 1.388 1.231) 14.548 29.377 ( -13.715 -5.922 -1.142) 14.983 29.917 ( 15.159 8.843 0.782) 17.567 30.277 ( 8.535 -4.896 0.782) 9.871 30.577 ( -7.857 15.140 -4.936) 17.757 30.749 ( -0.183 -1.568 -0.481) 1.650 30.876 ( 1.947 5.744 -0.610) 6.095 30.983 ( 2.109 1.803 -1.570) 3.188 31.100 ( 6.118 -4.151 -1.555) 7.555 31.175 ( 9.731 -8.038 -1.031) 12.663 31.570 ( 2.699 5.070 -0.517) 5.767 31.816 ( 2.349 -4.645 1.620) 5.452 32.075 ( -9.028 2.279 1.172) 9.385 32.147 ( -11.734 5.279 -4.834) 13.745 32.176 ( -6.561 3.609 -1.885) 7.721 32.347 ( -3.037 -3.649 -1.813) 5.083 32.519 ( 0.198 15.836 -20.333) 25.773 32.636 ( 7.566 3.233 -4.213) 9.243 32.704 ( 7.334 3.499 -5.627) 9.884 32.795 ( 12.255 -0.360 -1.922) 12.410 33.165 ( -3.700 21.085 -24.657) 32.653 33.496 ( -4.364 -1.699 -2.291) 5.214 33.748 ( -6.717 11.223 -9.706) 16.288 34.230 ( -6.513 -1.967 -11.305) 13.194 34.302 ( -4.833 -0.777 -3.998) 6.321 34.326 ( -12.959 -4.633 -27.930) 31.136 34.961 ( -0.182 0.381 -0.057) 0.426 34.994 ( 0.804 -1.412 2.525) 3.003 35.066 ( 1.468 1.971 4.300) 4.953 35.117 ( -0.227 -0.513 3.053) 3.105 35.724 ( 2.978 1.187 -0.629) 3.267 35.761 ( 7.761 0.814 -9.590) 12.364 35.787 ( 4.629 -0.519 -0.296) 4.668 35.832 ( 8.813 -2.843 -8.676) 12.690 35.974 ( 1.695 0.883 4.628) 5.007 36.034 ( 1.585 -1.434 2.722) 3.460 36.366 ( -4.587 5.194 30.884) 31.652 36.613 ( -11.610 -3.474 17.862) 21.585 36.780 ( 8.139 1.224 2.439) 8.584 37.201 ( 1.054 -30.502 52.872) 61.049 38.529 ( -11.653 10.987 -4.241) 16.568 38.922 ( -9.279 -7.372 -2.290) 12.070 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 20.241 12.675 12.421) 26.919 1.472 ( 14.476 20.936 13.128) 28.640 1.711 ( 4.642 -8.472 5.218) 10.979 2.000 ( 23.726 3.327 13.051) 27.282 2.088 ( 13.005 -10.152 19.109) 25.246 2.140 ( 9.151 5.608 1.328) 10.815 2.210 ( -1.205 3.303 -10.192) 10.782 2.270 ( 5.251 -1.548 -0.213) 5.478 2.425 ( 5.757 -4.412 7.454) 10.401 2.564 ( -8.649 -3.818 -5.534) 10.954 2.724 ( -0.576 -1.766 0.146) 1.863 2.761 ( -0.021 1.566 5.959) 6.161 2.848 ( 2.080 3.614 -5.397) 6.820 2.871 ( 1.402 -3.291 4.429) 5.694 2.930 ( -7.489 -1.035 -1.449) 7.697 2.987 ( 5.053 3.102 7.408) 9.488 3.070 ( -0.525 0.177 0.315) 0.637 3.110 ( 7.961 6.635 -2.460) 10.651 3.242 ( 0.033 -4.460 -1.246) 4.631 3.332 ( 0.166 2.775 7.239) 7.755 3.376 ( -9.360 3.370 -3.982) 10.715 3.400 ( -0.461 3.241 1.606) 3.646 3.467 ( -3.497 -3.375 0.493) 4.885 3.526 ( 4.512 1.105 8.073) 9.315 3.575 ( -0.721 4.127 2.270) 4.765 3.628 ( 4.040 -0.392 -0.488) 4.088 3.671 ( 8.082 -0.202 3.333) 8.745 3.775 ( 8.376 5.547 -3.845) 10.757 3.816 ( 5.322 0.174 -0.016) 5.325 3.887 ( 2.922 0.254 1.063) 3.119 3.948 ( 1.366 1.055 -2.642) 3.156 4.085 ( 7.199 -1.080 1.673) 7.469 4.142 ( 5.378 -7.490 -3.345) 9.809 4.225 ( 7.112 -4.599 -0.330) 8.476 4.363 ( 3.423 2.371 -2.343) 4.778 4.390 ( 5.162 0.277 -0.648) 5.210 4.469 ( 3.877 7.245 -3.018) 8.754 4.581 ( 2.018 4.869 -0.312) 5.280 4.612 ( 2.625 1.657 4.569) 5.524 4.762 ( 1.191 -5.287 4.228) 6.874 4.790 ( -1.800 0.280 -7.418) 7.639 4.899 ( -6.061 -4.660 1.432) 7.778 4.968 ( -3.045 0.996 -0.169) 3.208 5.069 ( -2.874 6.741 1.105) 7.411 5.133 ( -5.529 -0.167 -2.160) 5.938 5.218 ( -5.000 -0.653 3.508) 6.143 5.276 ( 1.378 -5.133 -3.872) 6.575 5.320 ( -3.029 -1.130 0.343) 3.251 5.351 ( 1.256 -2.644 -3.732) 4.743 5.423 ( 2.127 4.909 0.339) 5.361 5.543 ( 1.575 -1.034 -1.764) 2.581 5.633 ( 1.313 3.176 -0.549) 3.481 5.703 ( -1.270 0.168 -3.145) 3.396 5.774 ( -2.806 1.743 2.399) 4.082 5.835 ( 1.293 -0.350 -3.986) 4.205 5.896 ( -4.009 -3.206 -3.348) 6.129 5.947 ( -3.925 -4.142 -2.750) 6.335 6.073 ( 1.377 -7.172 -4.447) 8.551 6.162 ( 1.732 -2.749 0.742) 3.333 6.283 ( -2.352 0.650 -5.909) 6.393 6.302 ( -3.237 -5.424 -0.117) 6.318 6.337 ( 1.877 -5.028 -3.074) 6.185 6.459 ( -1.181 -4.142 -0.765) 4.374 6.535 ( -1.381 -1.752 -5.194) 5.653 6.666 ( 7.502 2.146 4.765) 9.143 6.735 ( 0.955 -0.526 3.167) 3.350 6.800 ( 0.426 3.513 -2.328) 4.236 6.906 ( -2.388 -1.655 0.687) 2.986 7.000 ( 0.424 3.526 1.530) 3.867 7.075 ( -1.801 -0.565 4.394) 4.782 7.216 ( 0.590 -0.893 0.125) 1.078 7.271 ( 1.188 -1.589 1.047) 2.243 7.462 ( -3.139 0.869 2.042) 3.845 7.536 ( -2.790 -1.649 1.749) 3.683 7.571 ( -1.128 3.856 3.771) 5.510 7.671 ( -1.933 -1.593 -1.950) 3.175 8.285 ( -19.824 3.566 -1.723) 20.216 8.325 ( -15.087 5.429 0.461) 16.040 8.520 ( -16.531 -4.924 -2.147) 17.382 8.617 ( -15.628 -6.092 1.719) 16.861 9.000 ( 1.755 4.647 1.514) 5.193 9.041 ( -0.580 3.496 -0.159) 3.547 9.099 ( 0.539 3.463 -2.778) 4.472 9.233 ( 4.597 -1.871 -0.490) 4.987 9.335 ( 2.321 -1.414 -1.355) 3.037 9.374 ( 3.188 -2.715 -1.155) 4.344 9.425 ( 3.984 -3.121 -1.661) 5.326 9.460 ( 4.962 -2.688 -2.208) 6.060 9.522 ( 4.824 -0.085 -0.781) 4.888 9.534 ( 3.138 0.201 2.715) 4.155 9.692 ( 5.207 -0.963 -1.722) 5.569 9.833 ( 1.572 -6.445 0.406) 6.647 9.921 ( 2.012 2.803 3.590) 4.979 10.098 ( -6.588 -3.012 1.207) 7.344 10.218 ( -8.066 4.852 2.806) 9.822 10.271 ( -10.784 2.490 0.524) 11.080 10.330 ( -10.652 -0.776 0.122) 10.681 10.456 ( -11.185 0.244 -0.688) 11.209 10.585 ( -9.063 -2.337 0.842) 9.397 10.654 ( -7.721 0.467 -2.456) 8.116 10.706 ( -7.981 4.213 -2.350) 9.325 10.857 ( -4.314 3.742 -0.606) 5.743 10.969 ( -5.399 -5.546 1.237) 7.838 11.081 ( -5.053 -2.805 -0.884) 5.846 11.571 ( 12.364 -0.656 -0.284) 12.384 11.602 ( 13.244 -0.003 -0.312) 13.248 11.667 ( 6.926 -3.312 0.118) 7.678 11.694 ( 5.733 -2.675 0.398) 6.338 12.072 ( 4.859 2.854 0.703) 5.679 12.219 ( -1.418 2.897 -0.367) 3.246 12.283 ( -1.443 1.266 0.223) 1.933 12.303 ( -3.248 3.437 1.372) 4.924 12.384 ( -0.099 -1.462 -0.907) 1.723 12.433 ( -0.496 -1.326 -0.857) 1.655 12.503 ( -0.583 -2.116 -0.343) 2.221 12.548 ( -0.244 -0.420 -0.893) 1.016 12.662 ( 3.819 7.326 1.353) 8.372 12.821 ( 1.186 6.135 -0.009) 6.249 12.952 ( -0.125 -5.226 0.311) 5.237 13.015 ( -0.943 -3.090 0.111) 3.232 13.341 ( 4.314 7.660 -0.636) 8.815 13.374 ( 3.372 4.543 0.726) 5.704 13.663 ( 8.224 -7.633 -0.297) 11.224 13.736 ( 5.321 -9.271 -0.387) 10.697 14.085 ( -2.055 13.414 1.078) 13.613 14.111 ( -1.115 5.577 -1.720) 5.942 14.260 ( 2.398 -1.320 0.665) 2.817 14.338 ( -1.657 0.042 -0.324) 1.689 14.385 ( 0.813 4.348 1.802) 4.776 14.559 ( 0.584 9.947 -2.192) 10.202 14.787 ( 3.032 1.041 -0.146) 3.209 14.821 ( 0.522 1.082 0.750) 1.416 14.986 ( 6.886 0.699 0.614) 6.948 15.175 ( 7.462 2.031 -0.543) 7.752 15.281 ( 8.105 -1.592 0.047) 8.260 15.300 ( 8.795 -3.178 -0.124) 9.352 15.473 ( 10.309 -0.083 -1.482) 10.415 15.586 ( -0.076 -0.904 -0.247) 0.940 15.628 ( -2.845 -2.259 -0.840) 3.728 15.686 ( -6.363 -0.360 0.027) 6.374 15.882 ( 4.469 0.902 2.138) 5.036 15.957 ( 1.658 -3.364 2.042) 4.270 16.112 ( 4.194 0.184 -7.659) 8.734 16.192 ( -2.693 -3.069 -6.162) 7.392 16.643 ( 1.843 1.437 -0.221) 2.347 16.670 ( 3.011 0.554 1.367) 3.352 16.710 ( 4.169 -1.497 -0.756) 4.493 16.761 ( 1.374 -2.956 -6.092) 6.909 17.344 ( -0.185 0.877 0.777) 1.186 17.367 ( -0.265 -0.144 0.453) 0.544 17.408 ( 1.023 1.216 -0.678) 1.728 17.454 ( 1.274 -0.741 -0.127) 1.480 19.814 ( 4.968 3.094 0.694) 5.894 19.994 ( 2.650 -3.598 -2.426) 5.085 20.077 ( 5.265 0.324 -0.103) 5.276 20.142 ( 4.519 -2.001 -3.019) 5.792 20.428 ( -5.046 2.422 -0.158) 5.599 20.518 ( -3.977 -1.482 0.510) 4.275 20.809 ( -1.708 0.869 -1.343) 2.340 20.856 ( -1.159 -1.021 -0.306) 1.575 22.117 ( 7.756 2.513 2.234) 8.454 22.159 ( 3.409 1.769 2.186) 4.419 22.247 ( 7.173 -2.090 -0.890) 7.524 22.275 ( 4.884 -1.688 -0.441) 5.186 22.982 ( -7.337 1.915 -1.798) 7.793 23.080 ( -7.460 -1.188 -2.319) 7.902 23.121 ( -11.759 -1.346 2.869) 12.178 23.194 ( -8.906 -4.444 1.542) 10.072 26.800 ( 16.549 1.733 0.737) 16.655 26.885 ( 21.079 -1.086 0.940) 21.128 26.960 ( 21.038 4.255 -0.638) 21.474 27.442 ( 29.070 -21.224 -15.871) 39.337 28.699 ( -20.673 5.909 -0.009) 21.501 28.808 ( -19.885 5.720 -0.440) 20.696 28.930 ( -16.381 -4.408 2.260) 17.114 29.112 ( -17.552 -6.891 -2.054) 18.968 30.174 ( 15.092 7.809 1.631) 17.071 30.379 ( 6.290 7.675 -2.157) 10.155 30.553 ( 5.427 4.667 0.559) 7.179 30.743 ( 0.621 -2.126 -1.093) 2.470 30.945 ( 6.288 4.645 0.699) 7.848 31.011 ( 4.492 2.168 -2.203) 5.453 31.188 ( 7.160 -5.336 -2.243) 9.207 31.292 ( 7.427 -7.852 -1.119) 10.866 31.597 ( 0.470 6.017 -0.522) 6.058 31.841 ( -2.513 2.002 -1.154) 3.415 31.892 ( -8.630 6.804 -3.260) 11.463 31.971 ( -5.415 3.753 0.077) 6.589 32.082 ( -4.608 2.855 -1.915) 5.749 32.242 ( -3.733 3.331 -8.043) 9.473 32.292 ( 3.467 6.236 -8.653) 11.215 32.776 ( 9.341 -1.494 -1.759) 9.622 32.831 ( 9.140 -0.699 -0.614) 9.187 32.907 ( 7.208 -2.438 -5.906) 9.632 33.170 ( 10.881 2.533 -2.360) 11.419 33.349 ( -1.437 -3.987 -9.753) 10.635 33.677 ( -3.253 1.998 2.727) 4.692 33.833 ( -7.408 -4.578 -13.397) 15.978 34.089 ( -7.188 1.082 -6.737) 9.911 34.143 ( -7.951 -1.197 -6.113) 10.100 34.949 ( -0.833 1.158 -0.699) 1.589 35.014 ( -0.852 -1.768 1.240) 2.322 35.144 ( 2.327 1.053 3.961) 4.713 35.166 ( 1.153 -0.095 4.234) 4.389 35.738 ( 4.013 2.255 -7.949) 9.186 35.786 ( 4.573 1.867 -1.180) 5.078 35.852 ( 4.860 -2.930 -3.947) 6.913 35.880 ( 6.426 -1.484 -1.918) 6.869 36.083 ( 2.326 0.872 8.424) 8.783 36.116 ( 1.936 -1.053 8.516) 8.797 36.491 ( -6.704 2.562 9.963) 12.279 36.601 ( -4.809 -1.824 4.281) 6.692 37.063 ( 9.658 6.023 16.799) 20.291 37.571 ( -7.177 -18.019 28.404) 34.395 38.261 ( -14.120 11.181 -6.971) 19.313 38.682 ( -15.844 -7.832 -4.763) 18.305 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 12.492 13.106 9.241) 20.328 1.778 ( 10.048 8.417 8.615) 15.685 1.926 ( 11.707 -5.731 7.190) 14.886 2.045 ( -2.627 1.812 -3.720) 4.902 2.148 ( -3.722 -2.997 -6.018) 7.685 2.282 ( -0.391 -2.802 -2.716) 3.922 2.432 ( 9.359 -2.221 -3.332) 10.179 2.437 ( 8.204 -1.326 8.325) 11.763 2.516 ( 0.317 -6.241 1.377) 6.399 2.548 ( 10.324 -4.709 6.580) 13.117 2.678 ( -4.131 -2.998 2.217) 5.565 2.799 ( -2.306 0.615 1.683) 2.920 2.891 ( 6.229 -3.190 0.964) 7.064 2.914 ( 1.784 3.991 2.378) 4.977 3.010 ( 6.718 -1.358 5.332) 8.684 3.090 ( 0.558 4.275 3.811) 5.754 3.105 ( 2.504 3.606 1.403) 4.609 3.179 ( -3.457 2.812 2.150) 4.948 3.237 ( 3.196 6.163 0.895) 6.999 3.299 ( 7.953 4.811 6.964) 11.614 3.340 ( -1.260 -0.809 1.948) 2.457 3.418 ( 1.436 -0.759 -4.323) 4.618 3.554 ( 5.435 2.052 8.736) 10.491 3.595 ( -0.495 6.431 4.987) 8.153 3.621 ( 4.148 -4.433 -2.544) 6.583 3.762 ( 7.672 4.970 0.309) 9.146 3.808 ( 2.727 -0.900 -4.005) 4.928 3.832 ( 5.314 2.411 -1.683) 6.073 3.885 ( 0.988 2.854 5.774) 6.516 3.912 ( -0.194 5.102 4.885) 7.066 4.050 ( 7.842 0.620 4.120) 8.880 4.120 ( -0.024 1.562 -3.404) 3.745 4.189 ( 4.537 -1.546 -5.456) 7.262 4.275 ( 2.736 -2.184 -5.041) 6.137 4.366 ( 2.762 0.432 -5.973) 6.594 4.447 ( 1.927 -0.913 0.369) 2.164 4.486 ( 2.247 2.304 -0.952) 3.356 4.570 ( 2.182 0.668 -4.788) 5.304 4.716 ( 0.379 2.945 -1.274) 3.231 4.743 ( 2.883 -1.477 4.173) 5.283 4.835 ( -1.964 2.821 3.553) 4.944 4.848 ( 0.059 -4.904 5.014) 7.014 4.962 ( -0.904 -1.108 2.652) 3.013 5.002 ( -3.124 -2.552 -4.647) 6.154 5.051 ( -2.155 4.791 1.762) 5.541 5.137 ( -1.645 3.836 -2.798) 5.025 5.248 ( -0.228 -2.853 -2.004) 3.493 5.284 ( -0.517 -3.281 -0.112) 3.323 5.325 ( -4.577 -1.030 1.117) 4.823 5.442 ( 1.651 2.400 0.272) 2.925 5.518 ( -3.485 -0.633 -1.402) 3.809 5.601 ( -4.031 2.940 -4.327) 6.604 5.659 ( 2.639 -0.995 -3.081) 4.177 5.737 ( -4.108 -1.270 -4.044) 5.903 5.797 ( -0.410 -2.245 1.417) 2.686 5.862 ( -1.116 -4.052 -2.090) 4.693 5.885 ( 0.089 -0.175 1.382) 1.396 6.042 ( -1.119 0.679 -7.507) 7.620 6.096 ( -3.269 -5.540 -5.362) 8.374 6.149 ( -2.986 -4.613 -0.131) 5.496 6.319 ( -0.347 -6.186 -0.116) 6.196 6.332 ( 1.940 -3.979 -1.799) 4.778 6.418 ( -2.769 -5.042 -2.687) 6.349 6.502 ( 1.987 -6.259 -0.222) 6.571 6.787 ( 4.944 4.828 -0.637) 6.940 6.820 ( 3.165 0.064 1.257) 3.406 6.870 ( 3.515 0.246 6.078) 7.025 6.924 ( 3.188 0.101 6.767) 7.481 7.040 ( 2.658 4.267 0.843) 5.097 7.070 ( -0.167 1.120 1.074) 1.560 7.271 ( 2.389 -1.570 2.147) 3.575 7.298 ( 2.061 -2.411 -1.314) 3.433 7.385 ( -4.957 1.355 -3.321) 6.119 7.458 ( -6.426 -0.919 -0.486) 6.510 7.577 ( -3.723 0.168 0.818) 3.815 7.582 ( -5.583 0.168 -0.285) 5.592 7.982 ( -14.496 4.940 -2.751) 15.559 8.115 ( -11.992 7.410 -0.560) 14.108 8.255 ( -12.647 -5.507 -3.346) 14.194 8.419 ( -11.672 -7.007 1.003) 13.651 9.049 ( 1.368 4.100 2.080) 4.797 9.055 ( 1.390 2.603 1.324) 3.234 9.096 ( 3.525 3.675 -3.056) 5.939 9.285 ( 1.855 -4.253 0.427) 4.660 9.372 ( 4.910 0.282 -1.349) 5.099 9.413 ( 3.355 -2.441 -0.678) 4.204 9.476 ( 3.293 -2.118 -0.462) 3.942 9.499 ( 3.559 -1.784 -2.193) 4.545 9.584 ( 4.371 -0.200 -1.085) 4.508 9.624 ( 4.099 -0.835 2.897) 5.088 9.720 ( 0.777 -1.880 -1.345) 2.439 9.830 ( -1.869 -5.828 0.152) 6.123 9.939 ( -8.892 1.885 0.654) 9.113 9.967 ( -6.270 -0.770 -0.236) 6.321 10.093 ( -10.267 1.159 1.401) 10.426 10.162 ( -6.495 3.139 0.674) 7.245 10.176 ( -6.847 1.011 3.731) 7.863 10.314 ( -5.650 1.377 -1.039) 5.908 10.468 ( -7.708 -1.065 -1.292) 7.887 10.530 ( -4.804 -4.130 1.421) 6.493 10.590 ( -3.773 6.603 -1.563) 7.764 10.790 ( -3.229 3.812 -0.278) 5.003 10.908 ( -3.813 -5.282 0.398) 6.527 10.988 ( -4.376 -3.117 -1.723) 5.642 11.724 ( 7.300 -0.834 -0.722) 7.383 11.758 ( 6.386 -0.078 0.626) 6.417 11.789 ( 6.744 -1.395 -0.044) 6.887 11.803 ( 7.902 -0.487 0.466) 7.931 12.151 ( 2.590 2.307 0.718) 3.542 12.185 ( -0.490 2.066 -0.543) 2.192 12.244 ( -2.470 4.111 0.818) 4.865 12.285 ( -1.943 4.012 1.444) 4.686 12.380 ( -0.489 -2.022 -1.575) 2.609 12.429 ( 1.129 -4.582 1.099) 4.845 12.487 ( -0.309 -4.385 -1.362) 4.602 12.558 ( 3.336 -3.187 -0.601) 4.653 12.741 ( 3.582 4.545 1.211) 5.912 12.826 ( -0.405 4.037 -0.338) 4.071 12.946 ( -1.605 -3.918 0.632) 4.281 12.973 ( -4.070 -2.870 -0.477) 5.003 13.421 ( 6.868 9.119 -0.629) 11.433 13.455 ( 5.444 7.865 0.799) 9.599 13.712 ( -0.953 -1.877 0.102) 2.108 13.751 ( -2.533 -0.651 0.237) 2.626 14.133 ( 5.136 3.113 -1.400) 6.167 14.157 ( 7.581 4.050 1.279) 8.690 14.305 ( 2.748 -2.012 0.330) 3.422 14.333 ( 1.900 -1.593 -0.716) 2.581 14.410 ( -0.313 9.910 1.508) 10.029 14.548 ( 1.191 9.572 -0.820) 9.680 14.768 ( -5.493 -0.866 -1.434) 5.743 14.792 ( -4.174 1.890 1.744) 4.903 15.115 ( 8.335 -1.073 0.519) 8.420 15.245 ( 3.164 0.353 -1.046) 3.352 15.349 ( 0.086 -5.690 0.755) 5.740 15.421 ( 3.800 -3.723 0.558) 5.349 15.562 ( -0.636 -1.283 1.315) 1.944 15.587 ( 1.619 -2.667 0.946) 3.260 15.622 ( 0.510 -1.675 -0.629) 1.860 15.654 ( 5.749 -1.850 -1.216) 6.161 15.985 ( 4.040 1.575 2.462) 4.986 16.047 ( 6.094 -0.909 1.465) 6.333 16.063 ( 0.260 1.055 -3.006) 3.196 16.138 ( 3.735 -1.925 -6.773) 7.970 16.646 ( -0.243 0.880 -0.181) 0.930 16.696 ( -1.838 -1.184 -2.526) 3.341 16.724 ( 0.555 0.619 1.858) 2.035 16.769 ( 3.114 -1.261 -0.850) 3.465 17.356 ( 0.654 0.728 0.892) 1.324 17.377 ( 0.739 -0.190 0.819) 1.119 17.415 ( 0.740 1.196 -0.844) 1.640 17.464 ( 0.459 -0.840 -0.621) 1.141 19.922 ( 7.275 1.561 1.257) 7.546 20.021 ( 4.574 -2.324 -2.656) 5.778 20.169 ( 5.596 -0.654 -0.156) 5.636 20.181 ( 4.416 -1.069 -2.018) 4.972 20.343 ( -5.804 2.696 0.540) 6.422 20.444 ( -5.896 -1.784 0.477) 6.179 20.761 ( -2.300 1.364 -1.274) 2.962 20.822 ( -2.289 -1.202 -0.898) 2.736 22.240 ( 5.565 2.502 0.348) 6.112 22.259 ( 7.660 2.465 0.223) 8.050 22.356 ( 8.176 -2.284 0.133) 8.490 22.389 ( 8.769 -2.525 0.092) 9.125 22.837 ( -8.460 2.168 -1.480) 8.858 22.942 ( -9.845 1.181 1.522) 10.032 22.964 ( -9.404 -3.163 -0.609) 9.940 23.057 ( -9.859 -3.914 0.657) 10.628 27.109 ( 20.606 3.605 1.865) 21.002 27.226 ( 21.256 4.585 -2.802) 21.925 27.328 ( 24.500 -3.245 5.236) 25.262 27.652 ( 19.828 -12.304 -12.294) 26.376 28.376 ( -20.593 6.107 0.863) 21.497 28.475 ( -20.527 5.973 -1.720) 21.447 28.681 ( -18.321 -6.511 2.467) 19.599 28.786 ( -19.799 -7.285 -4.275) 21.525 30.401 ( 11.008 6.330 1.584) 12.797 30.465 ( 6.808 7.595 -0.427) 10.208 30.649 ( 4.394 0.854 1.134) 4.618 30.738 ( 0.515 -1.311 -1.749) 2.246 31.064 ( 7.162 1.832 -1.313) 7.508 31.091 ( 8.737 4.122 0.904) 9.703 31.246 ( 3.274 -5.527 -2.294) 6.821 31.386 ( 5.017 -6.896 -0.135) 8.529 31.567 ( -2.668 7.068 0.106) 7.556 31.706 ( -7.336 8.859 -3.003) 11.888 31.777 ( -8.558 -3.842 1.228) 9.461 31.918 ( -7.464 -0.140 -1.780) 7.674 31.995 ( 3.322 7.317 -1.692) 8.213 32.160 ( 0.341 3.280 -2.145) 3.934 32.340 ( 7.536 -4.421 -2.832) 9.185 32.617 ( -4.594 -8.564 -19.159) 21.483 32.989 ( 8.993 1.598 2.227) 9.402 33.053 ( 9.146 -1.346 4.435) 10.253 33.328 ( 11.299 0.502 -1.560) 11.418 33.356 ( 9.337 -0.648 -4.393) 10.339 33.670 ( -2.817 0.232 4.028) 4.921 33.685 ( -4.654 -0.386 -0.555) 4.703 33.904 ( -7.785 0.322 -4.855) 9.180 33.934 ( -9.510 -0.901 -6.066) 11.316 34.921 ( -1.156 1.540 -1.119) 2.227 34.998 ( -1.600 -1.719 -0.241) 2.361 35.221 ( 2.026 0.636 3.365) 3.979 35.242 ( 1.864 -0.308 4.194) 4.600 35.698 ( 1.557 3.582 -6.118) 7.258 35.843 ( 3.474 1.156 -0.523) 3.699 35.865 ( 2.556 -3.069 -3.443) 5.273 35.948 ( 4.589 -2.557 -2.020) 5.628 36.235 ( 3.006 1.351 11.054) 11.535 36.287 ( 5.127 -1.098 10.177) 11.448 36.470 ( -3.839 2.346 2.541) 5.167 36.574 ( -2.328 -1.840 0.935) 3.111 37.359 ( 5.699 5.482 13.037) 15.248 37.694 ( -5.285 -8.790 9.634) 14.071 37.971 ( -12.776 8.586 -3.637) 15.817 38.354 ( -16.649 -7.632 -6.472) 19.425 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -0.394 6.876 -1.401) 7.029 1.918 ( -1.430 0.431 -1.914) 2.427 1.976 ( 1.463 -4.461 2.484) 5.312 2.034 ( -2.122 -5.156 0.200) 5.579 2.238 ( 7.292 0.137 0.407) 7.305 2.251 ( 7.397 -2.943 4.652) 9.221 2.445 ( -3.923 4.281 -0.201) 5.810 2.506 ( -2.920 2.847 -1.374) 4.303 2.557 ( -0.165 -4.636 0.541) 4.670 2.723 ( 6.122 -0.827 0.330) 6.186 2.733 ( 8.128 -2.081 1.051) 8.456 2.819 ( -2.442 -1.387 3.005) 4.113 2.924 ( -0.792 5.492 1.565) 5.765 2.977 ( 4.553 3.587 -2.735) 6.409 3.038 ( -1.653 8.283 1.398) 8.561 3.139 ( 2.555 -0.923 -1.058) 2.916 3.164 ( 4.661 -1.836 4.166) 6.515 3.240 ( 1.789 -1.493 6.754) 7.145 3.338 ( 1.490 -3.004 -2.065) 3.939 3.359 ( -4.503 -3.841 3.554) 6.904 3.417 ( 0.597 6.917 -0.768) 6.985 3.540 ( 2.530 9.470 4.075) 10.615 3.576 ( 5.051 1.937 0.496) 5.432 3.650 ( -0.158 -1.142 3.845) 4.014 3.690 ( 5.127 -1.693 -1.012) 5.493 3.741 ( -3.561 0.235 -2.162) 4.173 3.840 ( 3.017 -3.198 -0.453) 4.420 3.851 ( 3.138 2.078 -3.063) 4.853 3.939 ( -1.381 4.329 1.102) 4.676 4.008 ( 0.536 1.425 4.820) 5.055 4.074 ( -0.790 7.623 -3.797) 8.553 4.147 ( 1.689 4.690 1.273) 5.145 4.231 ( -0.641 0.166 -1.843) 1.958 4.238 ( 4.128 0.244 1.697) 4.470 4.325 ( 1.498 -1.208 -5.618) 5.939 4.424 ( -0.577 1.779 -1.281) 2.266 4.536 ( 1.612 -3.005 1.973) 3.940 4.617 ( -0.522 1.654 1.666) 2.405 4.645 ( 3.892 1.142 -5.921) 7.177 4.750 ( -2.246 3.018 -1.568) 4.075 4.785 ( -5.964 -5.889 -0.639) 8.406 4.976 ( 1.903 -2.013 4.139) 4.981 4.987 ( 4.462 -1.623 3.512) 5.906 5.009 ( 0.801 1.349 2.842) 3.246 5.065 ( -0.320 -1.453 0.900) 1.738 5.136 ( 4.553 3.469 -2.385) 6.201 5.225 ( -3.543 0.727 -0.896) 3.726 5.236 ( -4.335 1.856 4.013) 6.192 5.337 ( 4.171 -2.991 1.143) 5.258 5.428 ( -4.312 1.653 1.806) 4.959 5.485 ( 2.855 3.000 -3.465) 5.400 5.507 ( -1.332 -1.605 -3.402) 3.991 5.594 ( -7.155 1.233 -1.450) 7.404 5.660 ( 0.398 3.317 -3.398) 4.766 5.807 ( -0.014 -3.998 1.175) 4.167 5.821 ( 0.745 -4.947 -1.926) 5.361 5.857 ( -3.909 4.215 -3.001) 6.485 5.963 ( 1.365 -6.043 -0.096) 6.196 6.059 ( -0.467 -7.575 -2.129) 7.883 6.127 ( 0.103 -2.593 0.562) 2.655 6.304 ( -0.723 -3.633 0.375) 3.723 6.330 ( -0.973 -0.313 -2.404) 2.613 6.361 ( 0.261 -9.307 -0.491) 9.324 6.518 ( -0.730 -7.777 0.533) 7.829 6.866 ( 1.261 0.569 2.363) 2.738 6.897 ( 5.440 -0.128 2.509) 5.992 6.949 ( 3.320 -0.025 0.652) 3.383 7.041 ( -0.742 -3.671 0.132) 3.748 7.095 ( 4.829 4.406 3.296) 7.321 7.145 ( 3.915 3.530 0.675) 5.314 7.216 ( -5.313 3.287 -0.343) 6.257 7.269 ( -4.707 3.212 -2.143) 6.088 7.327 ( 0.040 -1.910 1.096) 2.203 7.385 ( -2.010 -2.853 -3.956) 5.275 7.502 ( 1.360 1.215 -1.086) 2.123 7.547 ( -4.237 -2.367 3.013) 5.713 7.803 ( -4.875 3.993 -1.624) 6.507 7.962 ( -5.112 9.588 -1.000) 10.912 8.077 ( -5.165 -5.124 -2.354) 7.647 8.287 ( -5.150 -7.288 -0.075) 8.924 9.078 ( 0.399 4.033 0.800) 4.131 9.100 ( 0.365 2.702 3.195) 4.200 9.121 ( 3.158 1.569 -3.359) 4.870 9.303 ( 0.301 -4.887 0.227) 4.901 9.446 ( 4.191 1.030 -0.307) 4.327 9.466 ( 4.733 -0.839 -1.044) 4.919 9.502 ( 0.569 -2.600 0.514) 2.711 9.518 ( -0.301 -0.937 -0.197) 1.004 9.637 ( 3.455 -0.235 -0.462) 3.493 9.684 ( -1.772 -2.748 0.636) 3.331 9.727 ( 2.854 -0.511 0.958) 3.054 9.777 ( -3.949 0.308 -1.071) 4.103 9.807 ( -4.179 -2.828 0.461) 5.067 9.842 ( -7.485 -2.022 -0.914) 7.807 9.999 ( -1.926 -0.651 0.179) 2.041 10.061 ( -4.538 -1.452 0.128) 4.766 10.207 ( 1.243 4.973 2.837) 5.859 10.252 ( -2.075 2.360 0.505) 3.183 10.328 ( -4.904 2.389 -3.291) 6.371 10.513 ( -1.429 -5.670 1.455) 6.025 10.558 ( -0.009 6.913 0.377) 6.923 10.759 ( -0.848 3.503 0.320) 3.618 10.852 ( -2.330 -4.718 -0.993) 5.355 10.930 ( -1.152 -3.693 -0.629) 3.920 11.788 ( 1.982 0.597 -0.272) 2.088 11.822 ( 1.809 1.172 0.452) 2.202 11.868 ( 2.018 -0.971 -0.064) 2.240 11.894 ( 3.695 -3.338 -0.182) 4.983 12.138 ( -0.746 3.225 -0.359) 3.330 12.200 ( -0.634 2.072 0.119) 2.170 12.249 ( 1.820 3.377 0.475) 3.865 12.277 ( -1.641 4.922 1.539) 5.412 12.356 ( -0.253 -2.916 -0.931) 3.072 12.466 ( 1.015 -5.654 0.707) 5.788 12.482 ( 1.332 -3.808 -0.583) 4.077 12.618 ( 3.653 -6.218 0.031) 7.212 12.760 ( -1.593 2.612 -0.636) 3.125 12.832 ( 2.000 2.036 0.312) 2.871 12.886 ( -4.463 -1.197 -0.512) 4.649 12.935 ( -1.212 -2.114 0.521) 2.492 13.526 ( 6.318 8.105 -0.359) 10.283 13.540 ( 3.756 8.025 0.290) 8.865 13.668 ( -4.335 5.381 0.245) 6.914 13.704 ( -2.526 5.021 0.182) 5.624 14.196 ( 3.139 1.638 -0.363) 3.559 14.265 ( 4.394 -0.124 0.263) 4.404 14.316 ( -1.924 3.133 -0.089) 3.678 14.364 ( 0.355 2.752 0.133) 2.778 14.459 ( 7.036 3.265 0.532) 7.775 14.600 ( 4.670 1.563 -0.649) 4.968 14.638 ( -6.360 0.519 -1.093) 6.474 14.718 ( -7.666 0.446 1.675) 7.859 15.230 ( 5.577 -4.283 -0.631) 7.061 15.279 ( 1.913 -2.982 0.181) 3.547 15.326 ( -1.738 -5.123 0.761) 5.463 15.386 ( -5.737 -5.047 -0.015) 7.641 15.594 ( 2.694 -0.402 0.714) 2.815 15.626 ( -0.276 -1.690 0.007) 1.712 15.656 ( 4.352 0.732 -0.271) 4.422 15.697 ( -0.176 -0.714 0.285) 0.789 16.038 ( 1.361 1.431 -0.264) 1.992 16.071 ( 2.103 2.323 0.004) 3.134 16.128 ( 1.230 -1.529 -2.194) 2.943 16.145 ( 3.263 -1.164 0.490) 3.499 16.644 ( 0.113 -0.328 -0.187) 0.394 16.651 ( -1.037 -0.436 -0.451) 1.212 16.731 ( -0.919 1.334 0.670) 1.753 16.792 ( 0.785 -1.176 -0.275) 1.441 17.382 ( 1.085 0.867 1.043) 1.736 17.404 ( 1.047 -0.059 0.628) 1.222 17.408 ( -0.268 0.808 -0.723) 1.117 17.454 ( -0.485 -0.896 -0.811) 1.302 20.050 ( 5.681 -0.602 1.244) 5.846 20.069 ( 4.572 -1.265 -1.768) 5.063 20.180 ( -1.290 0.919 -1.112) 1.935 20.242 ( -0.709 -0.028 0.814) 1.079 20.289 ( 0.267 1.073 0.351) 1.161 20.371 ( -2.885 -1.556 0.187) 3.283 20.720 ( -1.247 1.166 -0.549) 1.793 20.775 ( -1.702 -1.134 -0.761) 2.182 22.329 ( 4.336 2.767 0.286) 5.152 22.356 ( 4.355 2.617 -0.269) 5.088 22.476 ( 5.085 -3.144 -0.156) 5.981 22.502 ( 4.718 -2.759 -0.620) 5.500 22.718 ( -3.984 1.526 -0.157) 4.269 22.819 ( -6.884 -1.427 2.308) 7.399 22.844 ( -3.994 0.098 -1.549) 4.286 22.926 ( -6.105 -2.280 -0.006) 6.517 27.428 ( 14.291 5.217 0.679) 15.228 27.474 ( 13.141 6.507 -0.860) 14.689 27.743 ( 12.376 -7.630 -0.066) 14.540 27.810 ( 15.547 -6.446 1.710) 16.917 28.110 ( -12.417 4.884 0.153) 13.344 28.180 ( -11.972 4.596 -1.242) 12.884 28.411 ( -17.785 -7.120 -5.606) 19.960 28.470 ( -10.715 -7.373 1.653) 13.111 30.509 ( 3.052 5.254 -0.416) 6.091 30.593 ( 6.140 4.725 2.776) 8.230 30.688 ( -0.629 0.250 -1.769) 1.894 30.722 ( 0.138 1.482 -0.191) 1.500 31.154 ( 7.253 1.175 -2.099) 7.642 31.231 ( -3.642 -1.599 0.720) 4.043 31.266 ( 9.569 2.733 2.096) 10.170 31.418 ( -2.165 -3.359 0.660) 4.051 31.540 ( -4.399 2.120 -0.146) 4.886 31.584 ( 2.668 2.441 -5.202) 6.335 31.671 ( -7.207 -0.142 3.012) 7.812 31.782 ( -4.397 0.572 -2.057) 4.888 32.058 ( 2.873 6.383 0.574) 7.023 32.176 ( 1.030 0.930 1.852) 2.314 32.360 ( -1.309 -6.007 -7.708) 9.859 32.430 ( 2.091 -6.036 -3.382) 7.228 33.117 ( 3.713 2.356 1.638) 4.693 33.223 ( 5.118 -2.240 3.424) 6.553 33.446 ( 6.289 0.330 -2.690) 6.848 33.460 ( 6.399 -0.085 -1.457) 6.564 33.636 ( -2.484 0.592 1.546) 2.985 33.675 ( -1.319 -1.134 2.247) 2.841 33.743 ( -6.345 0.321 -3.033) 7.040 33.756 ( -5.416 -0.255 -2.172) 5.841 34.896 ( -0.565 1.573 -0.565) 1.764 34.972 ( -0.814 -1.617 -0.404) 1.855 35.275 ( 0.872 0.530 1.677) 1.963 35.301 ( 0.947 -0.566 1.759) 2.076 35.660 ( 0.261 4.218 -2.518) 4.919 35.855 ( 0.669 -3.812 -1.564) 4.174 35.881 ( 1.194 1.239 -0.061) 1.722 35.978 ( 1.502 -2.884 -0.789) 3.346 36.389 ( 2.496 1.618 5.838) 6.552 36.438 ( -0.041 1.664 1.774) 2.433 36.464 ( 2.121 -0.233 3.837) 4.391 36.555 ( -0.770 -1.921 0.084) 2.072 37.519 ( 1.939 3.764 4.460) 6.149 37.608 ( -4.704 3.401 -3.767) 6.920 37.869 ( -3.180 -1.106 3.589) 4.921 38.086 ( -7.873 -6.813 -3.669) 11.039 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 -27.100 0.000) 27.100 1.014 ( 0.000 27.100 0.000) 27.100 1.259 ( 0.000 -31.093 0.000) 31.093 1.259 ( 0.000 31.093 0.000) 31.093 2.084 ( 0.000 -10.431 0.000) 10.431 2.084 ( 0.000 10.431 0.000) 10.431 2.114 ( 0.000 -42.034 0.000) 42.034 2.114 ( 0.000 42.034 0.000) 42.034 2.626 ( 0.000 -1.387 0.000) 1.387 2.626 ( 0.000 1.387 0.000) 1.387 2.676 ( 0.000 -6.669 0.000) 6.669 2.676 ( 0.000 6.669 0.000) 6.669 2.743 ( 0.000 -3.807 0.000) 3.807 2.743 ( 0.000 3.807 0.000) 3.807 2.981 ( 0.000 -2.486 0.000) 2.486 2.981 ( 0.000 2.486 0.000) 2.486 3.109 ( 0.000 -1.739 0.000) 1.739 3.109 ( 0.000 1.739 0.000) 1.739 3.259 ( 0.000 -1.538 0.000) 1.538 3.259 ( 0.000 1.538 0.000) 1.538 3.357 ( 0.000 -6.428 0.000) 6.428 3.357 ( 0.000 6.428 0.000) 6.428 3.444 ( 0.000 -4.640 0.000) 4.640 3.444 ( 0.000 4.640 0.000) 4.640 3.522 ( 0.000 -5.906 0.000) 5.906 3.522 ( 0.000 5.906 0.000) 5.906 3.693 ( 0.000 -0.065 0.000) 0.065 3.693 ( 0.000 0.065 0.000) 0.065 3.791 ( 0.000 -6.609 0.000) 6.609 3.791 ( 0.000 6.609 0.000) 6.609 4.027 ( 0.000 -8.308 0.000) 8.308 4.027 ( 0.000 8.308 0.000) 8.308 4.096 ( 0.000 -15.093 0.000) 15.093 4.096 ( 0.000 15.093 0.000) 15.093 4.340 ( 0.000 -4.074 0.000) 4.074 4.340 ( 0.000 4.074 0.000) 4.074 4.468 ( 0.000 -8.338 0.000) 8.338 4.468 ( 0.000 8.338 0.000) 8.338 4.482 ( 0.000 -3.906 0.000) 3.906 4.482 ( 0.000 3.906 0.000) 3.906 4.797 ( 0.000 -1.240 0.000) 1.240 4.797 ( 0.000 1.240 0.000) 1.240 5.139 ( 0.000 -1.123 0.000) 1.123 5.139 ( 0.000 1.123 0.000) 1.123 5.260 ( 0.000 -2.396 0.000) 2.396 5.260 ( 0.000 2.396 0.000) 2.396 5.270 ( 0.000 -5.931 0.000) 5.931 5.270 ( 0.000 5.931 0.000) 5.931 5.416 ( 0.000 -3.934 0.000) 3.934 5.416 ( 0.000 3.934 0.000) 3.934 5.535 ( 0.000 -9.117 0.000) 9.117 5.535 ( 0.000 9.117 0.000) 9.117 5.782 ( 0.000 -1.572 0.000) 1.572 5.782 ( 0.000 1.572 0.000) 1.572 5.985 ( 0.000 -1.792 0.000) 1.792 5.985 ( 0.000 1.792 0.000) 1.792 6.087 ( 0.000 -0.532 0.000) 0.532 6.087 ( 0.000 0.532 0.000) 0.532 6.147 ( 0.000 -1.424 0.000) 1.424 6.147 ( 0.000 1.424 0.000) 1.424 6.338 ( 0.000 -1.676 0.000) 1.676 6.338 ( 0.000 1.676 0.000) 1.676 6.539 ( 0.000 -2.382 0.000) 2.382 6.539 ( 0.000 2.382 0.000) 2.382 6.789 ( 0.000 -7.014 0.000) 7.014 6.789 ( 0.000 7.014 0.000) 7.014 6.900 ( 0.000 -0.939 0.000) 0.939 6.900 ( 0.000 0.939 0.000) 0.939 6.973 ( 0.000 -1.657 0.000) 1.657 6.973 ( 0.000 1.657 0.000) 1.657 7.171 ( 0.000 -1.140 0.000) 1.140 7.171 ( 0.000 1.140 0.000) 1.140 7.480 ( 0.000 -1.620 0.000) 1.620 7.480 ( 0.000 1.620 0.000) 1.620 7.639 ( 0.000 -0.051 0.000) 0.051 7.639 ( 0.000 0.051 0.000) 0.051 8.762 ( 0.000 -5.766 0.000) 5.766 8.762 ( 0.000 5.766 0.000) 5.766 8.915 ( 0.000 -2.831 0.000) 2.831 8.915 ( 0.000 2.831 0.000) 2.831 9.089 ( 0.000 -2.223 0.000) 2.223 9.089 ( 0.000 2.223 0.000) 2.223 9.115 ( 0.000 -9.518 0.000) 9.518 9.115 ( 0.000 9.518 0.000) 9.518 9.243 ( 0.000 -7.248 0.000) 7.248 9.243 ( 0.000 7.248 0.000) 7.248 9.325 ( 0.000 -0.908 0.000) 0.908 9.325 ( 0.000 0.908 0.000) 0.908 9.444 ( 0.000 -0.178 0.000) 0.178 9.444 ( 0.000 0.178 0.000) 0.178 9.620 ( 0.000 -3.852 0.000) 3.852 9.620 ( 0.000 3.852 0.000) 3.852 9.949 ( 0.000 -8.297 0.000) 8.297 9.949 ( 0.000 8.297 0.000) 8.297 10.526 ( 0.000 -2.290 0.000) 2.290 10.526 ( 0.000 2.290 0.000) 2.290 10.614 ( 0.000 -10.636 0.000) 10.636 10.614 ( 0.000 10.636 0.000) 10.636 10.803 ( 0.000 -5.286 0.000) 5.286 10.803 ( 0.000 5.286 0.000) 5.286 10.966 ( 0.000 -4.227 0.000) 4.227 10.966 ( 0.000 4.227 0.000) 4.227 11.125 ( 0.000 -6.023 0.000) 6.023 11.125 ( 0.000 6.023 0.000) 6.023 11.378 ( 0.000 -8.068 0.000) 8.068 11.378 ( 0.000 8.068 0.000) 8.068 11.406 ( 0.000 -10.268 0.000) 10.268 11.406 ( 0.000 10.268 0.000) 10.268 12.102 ( 0.000 -7.813 0.000) 7.813 12.102 ( 0.000 7.813 0.000) 7.813 12.328 ( 0.000 -5.215 0.000) 5.215 12.328 ( 0.000 5.215 0.000) 5.215 12.499 ( 0.000 -1.273 0.000) 1.273 12.499 ( 0.000 1.273 0.000) 1.273 12.599 ( 0.000 -2.507 0.000) 2.507 12.599 ( 0.000 2.507 0.000) 2.507 12.786 ( 0.000 -9.564 0.000) 9.564 12.786 ( 0.000 9.564 0.000) 9.564 12.897 ( 0.000 -4.128 0.000) 4.128 12.897 ( 0.000 4.128 0.000) 4.128 13.341 ( 0.000 -1.180 0.000) 1.180 13.341 ( 0.000 1.180 0.000) 1.180 13.385 ( 0.000 -4.084 0.000) 4.084 13.385 ( 0.000 4.084 0.000) 4.084 14.286 ( 0.000 -4.127 0.000) 4.127 14.286 ( 0.000 4.127 0.000) 4.127 14.356 ( 0.000 -7.957 0.000) 7.957 14.356 ( 0.000 7.957 0.000) 7.957 14.522 ( 0.000 -8.997 0.000) 8.997 14.522 ( 0.000 8.997 0.000) 8.997 14.660 ( 0.000 -1.211 0.000) 1.211 14.660 ( 0.000 1.211 0.000) 1.211 14.835 ( 0.000 -3.522 0.000) 3.522 14.835 ( 0.000 3.522 0.000) 3.522 15.096 ( 0.000 -3.553 0.000) 3.553 15.096 ( 0.000 3.553 0.000) 3.553 15.413 ( 0.000 -15.184 0.000) 15.184 15.413 ( 0.000 15.184 0.000) 15.184 15.860 ( 0.000 -1.954 0.000) 1.954 15.860 ( 0.000 1.954 0.000) 1.954 15.893 ( 0.000 -2.089 0.000) 2.089 15.893 ( 0.000 2.089 0.000) 2.089 16.327 ( 0.000 -3.499 0.000) 3.499 16.327 ( 0.000 3.499 0.000) 3.499 16.600 ( 0.000 -2.334 0.000) 2.334 16.600 ( 0.000 2.334 0.000) 2.334 16.619 ( 0.000 -1.842 0.000) 1.842 16.619 ( 0.000 1.842 0.000) 1.842 17.357 ( 0.000 -0.436 0.000) 0.436 17.357 ( 0.000 0.436 0.000) 0.436 17.412 ( 0.000 -0.651 0.000) 0.651 17.412 ( 0.000 0.651 0.000) 0.651 19.856 ( 0.000 -7.574 0.000) 7.574 19.856 ( 0.000 7.574 0.000) 7.574 20.044 ( 0.000 -3.559 0.000) 3.559 20.044 ( 0.000 3.559 0.000) 3.559 20.541 ( 0.000 -1.518 0.000) 1.518 20.541 ( 0.000 1.518 0.000) 1.518 20.850 ( 0.000 -1.497 0.000) 1.497 20.850 ( 0.000 1.497 0.000) 1.497 21.997 ( 0.000 -1.025 0.000) 1.025 21.997 ( 0.000 1.025 0.000) 1.025 22.179 ( 0.000 -2.056 0.000) 2.056 22.179 ( 0.000 2.056 0.000) 2.056 23.191 ( 0.000 -3.244 0.000) 3.244 23.191 ( 0.000 3.244 0.000) 3.244 23.357 ( 0.000 -0.830 0.000) 0.830 23.357 ( 0.000 0.830 0.000) 0.830 26.526 ( 0.000 -0.199 0.000) 0.199 26.526 ( 0.000 0.199 0.000) 0.199 26.552 ( 0.000 -0.168 0.000) 0.168 26.552 ( 0.000 0.168 0.000) 0.168 29.107 ( 0.000 -2.045 0.000) 2.045 29.107 ( 0.000 2.045 0.000) 2.045 29.391 ( 0.000 -6.394 0.000) 6.394 29.391 ( 0.000 6.394 0.000) 6.394 29.987 ( 0.000 -12.092 0.000) 12.092 29.987 ( 0.000 12.092 0.000) 12.092 30.742 ( 0.000 -0.174 0.000) 0.174 30.742 ( 0.000 0.174 0.000) 0.174 30.967 ( 0.000 -2.391 0.000) 2.391 30.967 ( 0.000 2.391 0.000) 2.391 31.022 ( 0.000 -2.814 0.000) 2.814 31.022 ( 0.000 2.814 0.000) 2.814 31.669 ( 0.000 -6.791 0.000) 6.791 31.669 ( 0.000 6.791 0.000) 6.791 32.223 ( 0.000 -3.666 0.000) 3.666 32.223 ( 0.000 3.666 0.000) 3.666 32.301 ( 0.000 -3.225 0.000) 3.225 32.301 ( 0.000 3.225 0.000) 3.225 32.599 ( 0.000 -0.895 0.000) 0.895 32.599 ( 0.000 0.895 0.000) 0.895 32.683 ( 0.000 -0.439 0.000) 0.439 32.683 ( 0.000 0.439 0.000) 0.439 33.523 ( 0.000 -0.368 0.000) 0.368 33.523 ( 0.000 0.368 0.000) 0.368 34.336 ( 0.000 -1.175 0.000) 1.175 34.336 ( 0.000 1.175 0.000) 1.175 34.739 ( 0.000 -0.893 0.000) 0.893 34.739 ( 0.000 0.893 0.000) 0.893 34.924 ( 0.000 -1.170 0.000) 1.170 34.924 ( 0.000 1.170 0.000) 1.170 35.056 ( 0.000 -0.838 0.000) 0.838 35.056 ( 0.000 0.838 0.000) 0.838 35.699 ( 0.000 -2.671 0.000) 2.671 35.699 ( 0.000 2.671 0.000) 2.671 35.731 ( 0.000 -1.671 0.000) 1.671 35.731 ( 0.000 1.671 0.000) 1.671 35.947 ( 0.000 -1.389 0.000) 1.389 35.947 ( 0.000 1.389 0.000) 1.389 36.226 ( 0.000 -3.172 0.000) 3.172 36.226 ( 0.000 3.172 0.000) 3.172 36.718 ( 0.000 -0.303 0.000) 0.303 36.718 ( 0.000 0.303 0.000) 0.303 38.838 ( 0.000 -9.779 0.000) 9.779 38.838 ( 0.000 9.779 0.000) 9.779 ======================= Grid point 20 (12/69) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 5.457 -22.384 14.947) 27.464 1.234 ( 5.457 22.384 14.947) 27.464 1.370 ( 15.347 -21.380 8.941) 27.796 1.370 ( 15.347 21.380 8.941) 27.796 2.073 ( 1.359 -12.666 0.008) 12.739 2.073 ( 1.359 12.666 0.008) 12.739 2.196 ( 8.392 -28.778 -1.347) 30.007 2.196 ( 8.392 28.778 -1.347) 30.007 2.518 ( -4.760 -6.363 -4.249) 9.011 2.518 ( -4.760 6.363 -4.249) 9.011 2.713 ( -0.823 -5.007 3.819) 6.351 2.713 ( -0.823 5.007 3.819) 6.351 2.782 ( 3.688 -5.440 -0.173) 6.574 2.782 ( 3.688 5.440 -0.173) 6.574 3.052 ( 1.203 -11.049 6.692) 12.973 3.052 ( 1.203 11.049 6.692) 12.973 3.105 ( -0.163 -0.812 -2.186) 2.337 3.105 ( -0.163 0.812 -2.186) 2.337 3.168 ( -3.067 -4.674 -4.081) 6.921 3.168 ( -3.067 4.674 -4.081) 6.921 3.404 ( 2.883 -6.261 3.119) 7.566 3.404 ( 2.883 6.261 3.119) 7.566 3.482 ( 1.814 -0.952 2.534) 3.258 3.482 ( 1.814 0.952 2.534) 3.258 3.570 ( -2.578 -4.179 0.443) 4.930 3.570 ( -2.578 4.179 0.443) 4.930 3.673 ( 2.797 -2.625 3.841) 5.429 3.673 ( 2.797 2.625 3.841) 5.429 3.795 ( 4.162 -5.639 -2.764) 7.534 3.795 ( 4.162 5.639 -2.764) 7.534 4.004 ( -0.473 -6.965 -3.131) 7.651 4.004 ( -0.473 6.965 -3.131) 7.651 4.082 ( 0.830 -10.166 -1.218) 10.272 4.082 ( 0.830 10.166 -1.218) 10.272 4.371 ( 4.563 -3.442 -2.344) 6.178 4.371 ( 4.563 3.442 -2.344) 6.178 4.515 ( 6.646 -4.240 0.196) 7.886 4.515 ( 6.646 4.240 0.196) 7.886 4.576 ( 2.843 -0.515 5.629) 6.327 4.576 ( 2.843 0.515 5.629) 6.327 4.818 ( -0.222 -2.132 2.582) 3.356 4.818 ( -0.222 2.132 2.582) 3.356 5.072 ( -6.409 -3.012 1.298) 7.200 5.072 ( -6.409 3.012 1.298) 7.200 5.229 ( -3.491 -4.027 1.465) 5.527 5.229 ( -3.491 4.027 1.465) 5.527 5.300 ( 0.390 -2.100 -2.123) 3.011 5.300 ( 0.390 2.100 -2.123) 3.011 5.436 ( 3.615 -4.625 -0.610) 5.902 5.436 ( 3.615 4.625 -0.610) 5.902 5.548 ( 2.332 -8.288 -1.107) 8.681 5.548 ( 2.332 8.288 -1.107) 8.681 5.782 ( -0.122 -3.768 -0.108) 3.772 5.782 ( -0.122 3.768 -0.108) 3.772 5.932 ( -5.203 -3.398 -2.040) 6.541 5.932 ( -5.203 3.398 -2.040) 6.541 6.056 ( 0.496 -2.376 -8.664) 8.998 6.056 ( 0.496 2.376 -8.664) 8.998 6.140 ( 0.642 -5.322 0.793) 5.419 6.140 ( 0.642 5.322 0.793) 5.419 6.310 ( -0.356 -1.749 -2.273) 2.891 6.310 ( -0.356 1.749 -2.273) 2.891 6.536 ( 0.500 -1.854 -0.888) 2.116 6.536 ( 0.500 1.854 -0.888) 2.116 6.729 ( -3.344 -5.718 -4.109) 7.795 6.729 ( -3.344 5.718 -4.109) 7.795 6.877 ( -1.238 -3.411 -0.519) 3.665 6.877 ( -1.238 3.411 -0.519) 3.665 7.004 ( 1.301 -1.667 2.031) 2.932 7.004 ( 1.301 1.667 2.031) 2.932 7.209 ( 1.016 -0.818 2.540) 2.855 7.209 ( 1.016 0.818 2.540) 2.855 7.483 ( -1.684 -1.830 3.641) 4.409 7.483 ( -1.684 1.830 3.641) 4.409 7.643 ( 0.063 -3.474 0.123) 3.477 7.643 ( 0.063 3.474 0.123) 3.477 8.634 ( -14.522 -1.956 0.135) 14.654 8.634 ( -14.522 1.956 0.135) 14.654 8.748 ( -16.251 -2.140 -0.148) 16.392 8.748 ( -16.251 2.140 -0.148) 16.392 9.070 ( -0.555 -3.382 0.173) 3.432 9.070 ( -0.555 3.382 0.173) 3.432 9.170 ( 2.474 -0.685 -0.483) 2.613 9.170 ( 2.474 0.685 -0.483) 2.613 9.301 ( 5.148 -3.198 -1.058) 6.152 9.301 ( 5.148 3.198 -1.058) 6.152 9.334 ( 3.606 -2.654 -2.022) 4.913 9.334 ( 3.606 2.654 -2.022) 4.913 9.459 ( 2.580 -0.441 0.128) 2.621 9.459 ( 2.580 0.441 0.128) 2.621 9.663 ( 4.049 -4.497 0.259) 6.057 9.663 ( 4.049 4.497 0.259) 6.057 9.966 ( 0.430 -7.594 2.036) 7.873 9.966 ( 0.430 7.594 2.036) 7.873 10.443 ( -9.565 -1.037 1.072) 9.681 10.443 ( -9.565 1.037 1.072) 9.681 10.554 ( -7.589 -8.202 -0.700) 11.197 10.554 ( -7.589 8.202 -0.700) 11.197 10.743 ( -6.216 -4.152 -0.653) 7.504 10.743 ( -6.216 4.152 -0.653) 7.504 10.930 ( -4.889 -5.132 -0.333) 7.096 10.930 ( -4.889 5.132 -0.333) 7.096 11.069 ( -5.236 -6.567 -0.922) 8.450 11.069 ( -5.236 6.567 -0.922) 8.450 11.442 ( 8.128 -5.502 -0.370) 9.822 11.442 ( 8.128 5.502 -0.370) 9.822 11.478 ( 8.262 -6.407 0.334) 10.460 11.478 ( 8.262 6.407 0.334) 10.460 12.124 ( 2.485 -7.523 0.278) 7.928 12.124 ( 2.485 7.523 0.278) 7.928 12.328 ( 0.763 -5.213 -0.808) 5.330 12.328 ( 0.763 5.213 -0.808) 5.330 12.463 ( -3.944 -0.525 0.449) 4.004 12.463 ( -3.944 0.525 0.449) 4.004 12.565 ( -3.418 -2.977 -0.505) 4.561 12.565 ( -3.418 2.977 -0.505) 4.561 12.794 ( 0.773 -8.912 0.424) 8.956 12.794 ( 0.773 8.912 0.424) 8.956 12.921 ( 1.202 -5.140 0.277) 5.286 12.921 ( 1.202 5.140 0.277) 5.286 13.402 ( 6.600 -6.077 0.130) 8.972 13.402 ( 6.600 6.077 0.130) 8.972 13.428 ( 5.318 -6.669 0.040) 8.530 13.428 ( 5.318 6.669 0.040) 8.530 14.248 ( -4.064 -2.399 0.209) 4.724 14.248 ( -4.064 2.399 0.209) 4.724 14.344 ( -4.035 -3.062 0.408) 5.082 14.344 ( -4.035 3.062 0.408) 5.082 14.501 ( 2.593 -13.156 -0.269) 13.411 14.501 ( 2.593 13.156 -0.269) 13.411 14.717 ( 5.600 -2.809 0.642) 6.298 14.717 ( 5.600 2.809 0.642) 6.298 14.956 ( 11.015 -6.782 0.494) 12.945 14.956 ( 11.015 6.782 0.494) 12.945 15.145 ( 6.287 -1.711 -0.499) 6.535 15.145 ( 6.287 1.711 -0.499) 6.535 15.459 ( 4.725 -11.411 -0.028) 12.351 15.459 ( 4.725 11.411 -0.028) 12.351 15.788 ( -6.766 -1.428 -0.444) 6.929 15.788 ( -6.766 1.428 -0.444) 6.929 15.889 ( -3.070 -1.845 1.451) 3.865 15.889 ( -3.070 1.845 1.451) 3.865 16.222 ( -2.886 -6.302 -7.465) 10.187 16.222 ( -2.886 6.302 -7.465) 10.187 16.608 ( 3.884 -1.551 -1.046) 4.311 16.608 ( 3.884 1.551 -1.046) 4.311 16.686 ( 4.439 -3.730 -1.449) 5.976 16.686 ( 4.439 3.730 -1.449) 5.976 17.358 ( -0.270 -0.685 0.520) 0.901 17.358 ( -0.270 0.685 0.520) 0.901 17.420 ( 0.833 -0.834 0.023) 1.179 17.420 ( 0.833 0.834 0.023) 1.179 19.865 ( 1.425 -7.002 -0.232) 7.149 19.865 ( 1.425 7.002 -0.232) 7.149 20.059 ( 3.497 -3.042 -2.135) 5.103 20.059 ( 3.497 3.042 -2.135) 5.103 20.527 ( -1.767 -1.797 -0.173) 2.526 20.527 ( -1.767 1.797 -0.173) 2.526 20.849 ( -0.315 -1.141 -0.125) 1.190 20.849 ( -0.315 1.141 -0.125) 1.190 22.046 ( 4.364 -2.232 2.304) 5.416 22.046 ( 4.364 2.232 2.304) 5.416 22.192 ( 2.326 -2.010 -0.897) 3.202 22.192 ( 2.326 2.010 -0.897) 3.202 23.146 ( -3.943 -3.185 -2.402) 5.609 23.146 ( -3.943 3.185 -2.402) 5.609 23.271 ( -10.262 -0.664 1.997) 10.475 23.271 ( -10.262 0.664 1.997) 10.475 26.608 ( 10.331 -0.771 0.065) 10.360 26.608 ( 10.331 0.771 0.065) 10.360 26.759 ( 23.271 -7.517 -1.376) 24.494 26.759 ( 23.271 7.517 -1.376) 24.494 29.034 ( -10.109 -2.800 0.941) 10.532 29.034 ( -10.109 2.800 0.941) 10.532 29.241 ( -15.955 -7.280 -0.352) 17.541 29.241 ( -15.955 7.280 -0.352) 17.541 30.117 ( 12.414 -10.566 1.659) 16.386 30.117 ( 12.414 10.566 1.659) 16.386 30.710 ( -2.111 -2.928 -1.225) 3.812 30.710 ( -2.111 2.928 -1.225) 3.812 30.983 ( 3.995 -4.242 -2.951) 6.532 30.983 ( 3.995 4.242 -2.951) 6.532 31.067 ( 4.243 -3.388 1.337) 5.592 31.067 ( 4.243 3.388 1.337) 5.592 31.694 ( 2.177 -7.165 1.002) 7.555 31.694 ( 2.177 7.165 1.002) 7.555 32.129 ( -9.317 -2.871 0.867) 9.787 32.129 ( -9.317 2.871 0.867) 9.787 32.263 ( -5.002 -4.685 -1.559) 7.028 32.263 ( -5.002 4.685 -1.559) 7.028 32.630 ( 6.676 -2.411 -1.110) 7.184 32.630 ( 6.676 2.411 -1.110) 7.184 32.777 ( 10.129 -1.886 -4.691) 11.321 32.777 ( 10.129 1.886 -4.691) 11.321 33.433 ( -5.968 -5.966 -10.600) 13.549 33.433 ( -5.968 5.966 -10.600) 13.549 34.060 ( -15.818 -15.669 -34.193) 40.803 34.060 ( -15.818 15.669 -34.193) 40.803 34.288 ( -5.501 -0.400 -6.345) 8.407 34.288 ( -5.501 0.400 -6.345) 8.407 34.972 ( 0.307 -0.841 1.172) 1.475 34.972 ( 0.307 0.841 1.172) 1.475 35.099 ( 0.625 -1.368 3.774) 4.063 35.099 ( 0.625 1.368 3.774) 4.063 35.756 ( 3.373 -1.891 -0.589) 3.912 35.756 ( 3.373 1.891 -0.589) 3.912 35.788 ( 8.630 -1.355 -7.202) 11.322 35.788 ( 8.630 1.355 -7.202) 11.322 36.000 ( 2.056 -1.766 3.435) 4.376 36.000 ( 2.056 1.766 3.435) 4.376 36.498 ( -10.258 -7.736 32.507) 34.954 36.498 ( -10.258 7.736 32.507) 34.954 36.854 ( 12.277 -8.112 14.801) 20.871 36.854 ( 12.277 8.112 14.801) 20.871 38.739 ( -9.467 -10.814 -3.668) 14.833 38.739 ( -9.467 10.814 -3.668) 14.833 ======================= Grid point 22 (13/69) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 12.788 -14.493 7.863) 20.866 1.473 ( 12.788 14.493 7.863) 20.866 1.824 ( 15.239 -14.288 14.944) 25.685 1.824 ( 15.239 14.288 14.944) 25.685 2.159 ( 8.786 -7.032 1.928) 11.418 2.159 ( 8.786 7.032 1.928) 11.418 2.265 ( 1.116 -0.324 -0.312) 1.203 2.265 ( 1.116 0.324 -0.312) 1.203 2.435 ( -1.547 -6.287 -1.873) 6.740 2.435 ( -1.547 6.287 -1.873) 6.740 2.762 ( 0.461 -3.999 0.630) 4.074 2.762 ( 0.461 3.999 0.630) 4.074 2.802 ( -3.336 -3.948 5.840) 7.799 2.802 ( -3.336 3.948 5.840) 7.799 3.008 ( 3.318 -6.980 -6.504) 10.101 3.008 ( 3.318 6.980 -6.504) 10.101 3.125 ( 2.438 -5.913 3.950) 7.517 3.125 ( 2.438 5.913 3.950) 7.517 3.226 ( 1.294 -7.542 4.776) 9.020 3.226 ( 1.294 7.542 4.776) 9.020 3.429 ( 1.857 -2.197 -1.152) 3.099 3.429 ( 1.857 2.197 -1.152) 3.099 3.476 ( -4.202 -2.817 0.549) 5.089 3.476 ( -4.202 2.817 0.549) 5.089 3.658 ( 7.166 -2.329 6.861) 10.191 3.658 ( 7.166 2.329 6.861) 10.191 3.761 ( 3.502 -7.642 2.538) 8.781 3.761 ( 3.502 7.642 2.538) 8.781 3.876 ( 3.543 -3.381 2.928) 5.706 3.876 ( 3.543 3.381 2.928) 5.706 3.994 ( 6.610 -5.587 -3.783) 9.446 3.994 ( 6.610 5.587 -3.783) 9.446 4.134 ( 7.038 -5.045 -1.921) 8.870 4.134 ( 7.038 5.045 -1.921) 8.870 4.399 ( 4.595 -3.050 -6.272) 8.352 4.399 ( 4.595 3.050 -6.272) 8.352 4.584 ( 1.609 -5.555 -2.065) 6.141 4.584 ( 1.609 5.555 -2.065) 6.141 4.676 ( 2.110 -2.830 5.440) 6.485 4.676 ( 2.110 2.830 5.440) 6.485 4.811 ( -1.185 -2.568 -0.043) 2.828 4.811 ( -1.185 2.568 -0.043) 2.828 5.009 ( -5.660 -5.583 2.991) 8.494 5.009 ( -5.660 5.583 2.991) 8.494 5.200 ( -4.448 -4.210 4.452) 7.572 5.200 ( -4.448 4.210 4.452) 7.572 5.246 ( -0.817 -2.011 -3.780) 4.359 5.246 ( -0.817 2.011 -3.780) 4.359 5.453 ( -1.108 -7.538 -3.328) 8.314 5.453 ( -1.108 7.538 -3.328) 8.314 5.577 ( 1.911 -8.451 0.287) 8.669 5.577 ( 1.911 8.451 0.287) 8.669 5.757 ( -0.361 -4.509 -2.962) 5.407 5.757 ( -0.361 4.509 -2.962) 5.407 5.833 ( -2.133 -3.873 -6.122) 7.552 5.833 ( -2.133 3.873 -6.122) 7.552 5.936 ( -2.063 -5.107 -3.539) 6.547 5.936 ( -2.063 5.107 -3.539) 6.547 6.190 ( 1.330 -4.660 1.828) 5.179 6.190 ( 1.330 4.660 1.828) 5.179 6.283 ( 1.059 -1.864 -4.838) 5.291 6.283 ( 1.059 1.864 -4.838) 5.291 6.466 ( -4.416 -4.335 -5.828) 8.501 6.466 ( -4.416 4.335 -5.828) 8.501 6.715 ( 4.611 -2.001 2.883) 5.795 6.715 ( 4.611 2.001 2.883) 5.795 6.861 ( -0.173 -2.952 -0.572) 3.012 6.861 ( -0.173 2.952 -0.572) 3.012 7.054 ( 0.863 -1.854 3.486) 4.041 7.054 ( 0.863 1.854 3.486) 4.041 7.227 ( -0.336 -2.126 0.844) 2.312 7.227 ( -0.336 2.126 0.844) 2.312 7.494 ( -2.875 -2.306 2.246) 4.316 7.494 ( -2.875 2.306 2.246) 4.316 7.633 ( -1.712 -2.477 0.028) 3.011 7.633 ( -1.712 2.477 0.028) 3.011 8.374 ( -17.640 -4.402 -0.231) 18.183 8.374 ( -17.640 4.402 -0.231) 18.183 8.489 ( -15.806 -5.753 -0.198) 16.822 8.489 ( -15.806 5.753 -0.198) 16.822 9.068 ( 0.914 -1.127 -0.679) 1.602 9.068 ( 0.914 1.127 -0.679) 1.602 9.187 ( 0.841 -3.721 -0.390) 3.835 9.187 ( 0.841 3.721 -0.390) 3.835 9.335 ( 3.241 -1.560 -1.663) 3.962 9.335 ( 3.241 1.560 -1.663) 3.962 9.397 ( 5.560 -2.129 -1.763) 6.210 9.397 ( 5.560 2.129 -1.763) 6.210 9.525 ( 4.303 -0.783 0.886) 4.463 9.525 ( 4.303 0.783 0.886) 4.463 9.718 ( 2.772 -4.116 -0.798) 5.026 9.718 ( 2.772 4.116 -0.798) 5.026 9.999 ( -0.833 -5.141 3.335) 6.184 9.999 ( -0.833 5.141 3.335) 6.184 10.288 ( -11.640 -1.551 1.311) 11.816 10.288 ( -11.640 1.551 1.311) 11.816 10.389 ( -11.551 -6.035 0.294) 13.036 10.389 ( -11.551 6.035 0.294) 13.036 10.619 ( -7.999 -3.664 -1.503) 8.925 10.619 ( -7.999 3.664 -1.503) 8.925 10.827 ( -5.967 -7.250 -0.851) 9.428 10.827 ( -5.967 7.250 -0.851) 9.428 10.977 ( -5.323 -6.655 -0.373) 8.531 10.977 ( -5.323 6.655 -0.373) 8.531 11.593 ( 10.840 -2.533 -0.311) 11.137 11.593 ( 10.840 2.533 -0.311) 11.137 11.636 ( 10.368 -2.422 0.373) 10.654 11.636 ( 10.368 2.422 0.373) 10.654 12.172 ( 2.134 -6.384 1.173) 6.833 12.172 ( 2.134 6.384 1.173) 6.833 12.330 ( 0.939 -4.219 -1.327) 4.521 12.330 ( 0.939 4.219 -1.327) 4.521 12.404 ( -4.227 -1.240 0.539) 4.438 12.404 ( -4.227 1.240 0.539) 4.438 12.499 ( -3.583 -3.421 -0.611) 4.991 12.499 ( -3.583 3.421 -0.611) 4.991 12.819 ( 1.474 -8.193 0.739) 8.357 12.819 ( 1.474 8.193 0.739) 8.357 12.927 ( -0.398 -5.347 -0.123) 5.363 12.927 ( -0.398 5.347 -0.123) 5.363 13.507 ( 7.063 -8.609 -0.462) 11.145 13.507 ( 7.063 8.609 -0.462) 11.145 13.540 ( 7.481 -10.816 0.415) 13.158 13.540 ( 7.481 10.816 0.415) 13.158 14.202 ( -1.416 -3.999 0.407) 4.262 14.202 ( -1.416 3.999 0.407) 4.262 14.272 ( -3.176 -6.215 -0.209) 6.983 14.272 ( -3.176 6.215 -0.209) 6.983 14.591 ( 4.829 -10.051 1.838) 11.302 14.591 ( 4.829 10.051 1.838) 11.302 14.783 ( 1.896 -0.966 -0.747) 2.256 14.783 ( 1.896 0.966 -0.747) 2.256 15.112 ( 7.013 -9.118 0.794) 11.531 15.112 ( 7.013 9.118 0.794) 11.531 15.260 ( 7.329 -0.874 0.164) 7.383 15.260 ( 7.329 0.874 0.164) 7.383 15.515 ( 2.359 -3.930 -0.207) 4.589 15.515 ( 2.359 3.930 -0.207) 4.589 15.653 ( -7.082 -2.956 -1.320) 7.787 15.653 ( -7.082 2.956 -1.320) 7.787 15.907 ( 4.105 -1.851 1.941) 4.904 15.907 ( 4.105 1.851 1.941) 4.904 16.132 ( 1.265 -2.296 -6.850) 7.334 16.132 ( 1.265 2.296 -6.850) 7.334 16.673 ( 4.358 -1.342 -0.655) 4.607 16.673 ( 4.358 1.342 -0.655) 4.607 16.705 ( 0.893 -2.348 -1.117) 2.750 16.705 ( 0.893 2.348 -1.117) 2.750 17.359 ( -0.261 -0.655 0.576) 0.911 17.359 ( -0.261 0.655 0.576) 0.911 17.434 ( 1.122 -1.285 -0.358) 1.743 17.434 ( 1.122 1.285 -0.358) 1.743 19.899 ( 3.568 -5.342 -0.498) 6.443 19.899 ( 3.568 5.342 -0.498) 6.443 20.102 ( 5.494 -1.922 -2.651) 6.396 20.102 ( 5.494 1.922 -2.651) 6.396 20.478 ( -4.460 -2.540 0.119) 5.134 20.478 ( -4.460 2.540 0.119) 5.134 20.831 ( -1.366 -1.345 -0.661) 2.027 20.831 ( -1.366 1.345 -0.661) 2.027 22.170 ( 7.468 -1.997 2.664) 8.176 22.170 ( 7.468 1.997 2.664) 8.176 22.231 ( 4.594 -1.751 -1.552) 5.156 22.231 ( 4.594 1.751 -1.552) 5.156 23.031 ( -6.489 -3.034 -2.565) 7.608 23.031 ( -6.489 3.034 -2.565) 7.608 23.128 ( -11.540 -1.969 2.867) 12.053 23.128 ( -11.540 1.969 2.867) 12.053 26.843 ( 18.770 -2.592 1.233) 18.988 26.843 ( 18.770 2.592 1.233) 18.988 27.117 ( 25.465 -12.206 -5.136) 28.702 27.117 ( 25.465 12.206 -5.136) 28.702 28.820 ( -18.337 -6.240 1.161) 19.404 28.820 ( -18.337 6.240 1.161) 19.404 28.953 ( -19.399 -8.549 -0.928) 21.220 28.953 ( -19.399 8.549 -0.928) 21.220 30.337 ( 11.685 -7.532 2.508) 14.126 30.337 ( 11.685 7.532 2.508) 14.126 30.678 ( 0.671 -5.078 -1.832) 5.440 30.678 ( 0.671 5.078 -1.832) 5.440 31.030 ( 5.963 -2.793 -2.136) 6.923 31.030 ( 5.963 2.793 -2.136) 6.923 31.158 ( 5.849 -4.656 0.034) 7.476 31.158 ( 5.849 4.656 0.034) 7.476 31.731 ( -1.021 -7.303 2.110) 7.670 31.731 ( -1.021 7.303 2.110) 7.670 31.997 ( -8.870 -2.632 1.142) 9.322 31.997 ( -8.870 2.632 1.142) 9.322 32.162 ( -1.883 -5.589 -4.343) 7.325 32.162 ( -1.883 5.589 -4.343) 7.325 32.626 ( 0.150 -15.338 -18.520) 24.048 32.626 ( 0.150 15.338 -18.520) 24.048 32.853 ( 9.342 -2.511 -1.305) 9.762 32.853 ( 9.342 2.511 -1.305) 9.762 33.248 ( 4.964 -5.513 -7.562) 10.594 33.248 ( 4.964 5.513 -7.562) 10.594 33.739 ( -4.513 -4.452 -3.872) 7.428 33.739 ( -4.513 4.452 -3.872) 7.428 34.116 ( -7.680 -1.537 -6.585) 10.233 34.116 ( -7.680 1.537 -6.585) 10.233 34.978 ( -0.742 -1.806 0.380) 1.989 34.978 ( -0.742 1.806 0.380) 1.989 35.161 ( 1.544 -0.566 4.043) 4.364 35.161 ( 1.544 0.566 4.043) 4.364 35.791 ( 4.158 -3.107 -4.778) 7.055 35.791 ( 4.158 3.107 -4.778) 7.055 35.836 ( 5.654 -2.877 -2.778) 6.926 35.836 ( 5.654 2.877 -2.778) 6.926 36.098 ( 2.296 -0.786 8.567) 8.904 36.098 ( 2.296 0.786 8.567) 8.904 36.550 ( -6.057 -3.229 6.953) 9.770 36.550 ( -6.057 3.229 6.953) 9.770 37.252 ( 4.665 -13.761 23.826) 27.907 37.252 ( 4.665 13.761 23.826) 27.907 38.486 ( -14.882 -11.682 -6.424) 19.980 38.486 ( -14.882 11.682 -6.424) 19.980 ======================= Grid point 24 (14/69) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 10.328 -7.152 10.332) 16.265 1.783 ( 10.328 7.152 10.332) 16.265 2.036 ( 4.918 -7.775 0.188) 9.202 2.036 ( 4.918 7.775 0.188) 9.202 2.134 ( -5.475 -8.724 -9.311) 13.884 2.134 ( -5.475 8.724 -9.311) 13.884 2.420 ( 9.081 -2.930 1.930) 9.735 2.420 ( 9.081 2.930 1.930) 9.735 2.481 ( 5.499 -2.649 9.342) 11.160 2.481 ( 5.499 2.649 9.342) 11.160 2.702 ( -1.181 -5.475 0.897) 5.673 2.702 ( -1.181 5.475 0.897) 5.673 2.912 ( 4.662 -2.743 4.390) 6.966 2.912 ( 4.662 2.743 4.390) 6.966 3.084 ( 5.886 -6.474 1.833) 8.940 3.084 ( 5.886 6.474 1.833) 8.940 3.177 ( -3.125 -3.070 -0.106) 4.382 3.177 ( -3.125 3.070 -0.106) 4.382 3.266 ( 1.199 -4.602 4.427) 6.497 3.266 ( 1.199 4.602 4.427) 6.497 3.409 ( 4.742 -4.790 0.263) 6.746 3.409 ( 4.742 4.790 0.263) 6.746 3.566 ( 4.506 -2.595 6.443) 8.280 3.566 ( 4.506 2.595 6.443) 8.280 3.782 ( 0.882 -4.708 0.945) 4.883 3.782 ( 0.882 4.708 0.945) 4.883 3.806 ( -0.949 -4.363 -1.278) 4.644 3.806 ( -0.949 4.363 -1.278) 4.644 3.979 ( 4.038 -3.528 4.262) 6.850 3.979 ( 4.038 3.528 4.262) 6.850 4.102 ( 7.899 -6.451 -0.400) 10.207 4.102 ( 7.899 6.451 -0.400) 10.207 4.218 ( 7.164 -5.100 -2.015) 9.022 4.218 ( 7.164 5.100 -2.015) 9.022 4.372 ( 3.175 -3.096 -8.127) 9.258 4.372 ( 3.175 3.096 -8.127) 9.258 4.578 ( 1.496 -6.737 -1.094) 6.988 4.578 ( 1.496 6.737 -1.094) 6.988 4.684 ( -4.449 -5.975 1.020) 7.519 4.684 ( -4.449 5.975 1.020) 7.519 4.841 ( 2.605 -4.143 0.575) 4.928 4.841 ( 2.605 4.143 0.575) 4.928 4.967 ( -2.298 -2.884 2.149) 4.268 4.967 ( -2.298 2.884 2.149) 4.268 5.168 ( -4.885 -6.488 3.606) 8.886 5.168 ( -4.885 6.488 3.606) 8.886 5.241 ( 2.056 -3.451 1.028) 4.147 5.241 ( 2.056 3.451 1.028) 4.147 5.373 ( -2.001 -9.027 -4.159) 10.138 5.373 ( -2.001 9.027 -4.159) 10.138 5.546 ( -3.595 -4.869 -1.944) 6.357 5.546 ( -3.595 4.869 -1.944) 6.357 5.720 ( -4.031 -2.541 0.780) 4.828 5.720 ( -4.031 2.541 0.780) 4.828 5.780 ( 5.470 -5.533 -6.145) 9.914 5.780 ( 5.470 5.533 -6.145) 9.914 5.901 ( -1.524 -5.759 -2.594) 6.498 5.901 ( -1.524 5.759 -2.594) 6.498 6.130 ( -4.897 -2.673 -3.141) 6.402 6.130 ( -4.897 2.673 -3.141) 6.402 6.269 ( 1.716 -1.528 -2.132) 3.134 6.269 ( 1.716 1.528 -2.132) 3.134 6.386 ( -0.627 -3.148 -1.324) 3.473 6.386 ( -0.627 3.148 -1.324) 3.473 6.824 ( 2.414 -0.379 0.254) 2.457 6.824 ( 2.414 0.379 0.254) 2.457 6.899 ( 3.283 -2.347 6.807) 7.913 6.899 ( 3.283 2.347 6.807) 7.913 7.101 ( 2.638 -0.858 0.579) 2.834 7.101 ( 2.638 0.858 0.579) 2.834 7.251 ( 2.441 -0.786 0.431) 2.601 7.251 ( 2.441 0.786 0.431) 2.601 7.421 ( -5.876 -2.334 -1.968) 6.622 7.421 ( -5.876 2.334 -1.968) 6.622 7.584 ( -4.618 -0.197 0.125) 4.624 7.584 ( -4.618 0.197 0.125) 4.624 8.111 ( -13.765 -7.994 -1.945) 16.036 8.111 ( -13.765 7.994 -1.945) 16.036 8.274 ( -11.218 -7.877 -0.428) 13.714 8.274 ( -11.218 7.877 -0.428) 13.714 9.088 ( 2.328 -0.464 -0.371) 2.403 9.088 ( 2.328 0.464 -0.371) 2.403 9.195 ( 0.786 -5.098 -0.152) 5.161 9.195 ( 0.786 5.098 -0.152) 5.161 9.382 ( 4.704 -0.830 -0.895) 4.859 9.382 ( 4.704 0.830 -0.895) 4.859 9.458 ( 3.978 -1.060 -0.971) 4.230 9.458 ( 3.978 1.060 -0.971) 4.230 9.595 ( 3.535 -1.618 0.730) 3.956 9.595 ( 3.535 1.618 0.730) 3.956 9.729 ( 0.342 -3.217 -0.648) 3.300 9.729 ( 0.342 3.217 -0.648) 3.300 9.958 ( -8.675 -0.393 0.384) 8.693 9.958 ( -8.675 0.393 0.384) 8.693 10.129 ( -9.808 -2.423 0.868) 10.140 10.129 ( -9.808 2.423 0.868) 10.140 10.280 ( -3.710 -5.003 3.483) 7.136 10.280 ( -3.710 5.003 3.483) 7.136 10.474 ( -7.392 -2.446 -1.712) 7.972 10.474 ( -7.392 2.446 -1.712) 7.972 10.752 ( -2.746 -8.696 -0.519) 9.135 10.752 ( -2.746 8.696 -0.519) 9.135 10.896 ( -4.063 -5.298 -0.925) 6.741 10.896 ( -4.063 5.298 -0.925) 6.741 11.742 ( 8.395 -2.089 -0.777) 8.686 11.742 ( 8.395 2.089 -0.777) 8.686 11.779 ( 6.420 -1.287 0.933) 6.614 11.779 ( 6.420 1.287 0.933) 6.614 12.205 ( 0.112 -1.285 1.314) 1.841 12.205 ( 0.112 1.285 1.314) 1.841 12.331 ( 0.571 -3.469 -1.293) 3.746 12.331 ( 0.571 3.469 -1.293) 3.746 12.353 ( -1.911 -1.774 0.631) 2.683 12.353 ( -1.911 1.774 0.631) 2.683 12.461 ( -0.137 -4.720 -0.323) 4.733 12.461 ( -0.137 4.720 -0.323) 4.733 12.845 ( 0.209 -5.520 0.384) 5.537 12.845 ( 0.209 5.520 0.384) 5.537 12.905 ( -1.918 -3.778 -0.064) 4.237 12.905 ( -1.918 3.778 -0.064) 4.237 13.607 ( 5.959 -8.566 -0.258) 10.438 13.607 ( 5.959 8.566 -0.258) 10.438 13.644 ( 5.022 -9.658 0.360) 10.891 13.644 ( 5.022 9.658 0.360) 10.891 14.217 ( 2.978 -3.766 -0.319) 4.812 14.217 ( 2.978 3.766 -0.319) 4.812 14.270 ( 2.806 -3.878 0.226) 4.792 14.270 ( 2.806 3.878 0.226) 4.792 14.634 ( -2.523 -8.857 1.843) 9.392 14.634 ( -2.523 8.857 1.843) 9.392 14.760 ( -3.112 -4.710 -1.055) 5.743 14.760 ( -3.112 4.710 -1.055) 5.743 15.180 ( 1.344 -7.808 0.881) 7.972 15.180 ( 1.344 7.808 0.881) 7.972 15.319 ( -0.070 -5.179 -0.564) 5.210 15.319 ( -0.070 5.179 -0.564) 5.210 15.551 ( 2.128 -0.642 1.967) 2.968 15.551 ( 2.128 0.642 1.967) 2.968 15.617 ( 3.931 -1.305 -1.473) 4.396 15.617 ( 3.931 1.305 -1.473) 4.396 16.021 ( 6.095 -1.800 1.938) 6.644 16.021 ( 6.095 1.800 1.938) 6.644 16.095 ( 2.353 -2.188 -4.760) 5.744 16.095 ( 2.353 2.188 -4.760) 5.744 16.669 ( -1.065 -1.436 -1.356) 2.244 16.669 ( -1.065 1.436 -1.356) 2.244 16.742 ( 1.915 -1.295 0.825) 2.454 16.742 ( 1.915 1.295 0.825) 2.454 17.369 ( 0.713 -0.571 0.792) 1.209 17.369 ( 0.713 0.571 0.792) 1.209 17.442 ( 0.533 -1.400 -0.747) 1.674 17.442 ( 0.533 1.400 -0.747) 1.674 19.966 ( 5.885 -2.909 -0.712) 6.603 19.966 ( 5.885 2.909 -0.712) 6.603 20.165 ( 5.273 -0.367 -1.454) 5.482 20.165 ( 5.273 0.367 -1.454) 5.482 20.398 ( -5.821 -2.839 0.490) 6.495 20.398 ( -5.821 2.839 0.490) 6.495 20.792 ( -2.314 -1.736 -1.035) 3.072 20.792 ( -2.314 1.736 -1.035) 3.072 22.298 ( 6.471 -2.562 -0.980) 7.028 22.298 ( 6.471 2.562 -0.980) 7.028 22.326 ( 8.375 -3.117 1.296) 9.029 22.326 ( 8.375 3.117 1.296) 9.029 22.894 ( -8.202 -3.586 -1.637) 9.100 22.894 ( -8.202 3.586 -1.637) 9.100 22.984 ( -9.887 -3.162 1.763) 10.529 22.984 ( -9.887 3.162 1.763) 10.529 27.200 ( 23.262 -5.336 2.876) 24.039 27.200 ( 23.262 5.336 2.876) 24.039 27.416 ( 21.102 -10.804 -5.710) 24.385 27.416 ( 21.102 10.804 -5.710) 24.385 28.526 ( -20.178 -8.623 1.431) 21.990 28.526 ( -20.178 8.623 1.431) 21.990 28.622 ( -20.718 -8.676 -2.340) 22.583 28.622 ( -20.718 8.676 -2.340) 22.583 30.515 ( 7.233 -3.404 2.345) 8.331 30.515 ( 7.233 3.404 2.345) 8.331 30.690 ( 2.926 -3.416 -1.556) 4.759 30.690 ( 2.926 3.416 -1.556) 4.759 31.117 ( 7.099 -3.175 -1.188) 7.866 31.117 ( 7.099 3.175 -1.188) 7.866 31.242 ( 5.165 -6.617 0.209) 8.397 31.242 ( 5.165 6.617 0.209) 8.397 31.690 ( -6.954 -5.417 2.280) 9.104 31.690 ( -6.954 5.417 2.280) 9.104 31.859 ( -8.199 -5.919 -2.561) 10.432 31.859 ( -8.199 5.919 -2.561) 10.432 32.144 ( 4.418 -7.114 -2.690) 8.796 32.144 ( 4.418 7.114 -2.690) 8.796 32.402 ( -0.366 -11.860 -14.737) 18.920 32.402 ( -0.366 11.860 -14.737) 18.920 33.022 ( 9.067 -1.766 3.270) 9.799 33.022 ( 9.067 1.766 3.270) 9.799 33.341 ( 10.365 -0.811 -2.519) 10.697 33.341 ( 10.365 0.811 -2.519) 10.697 33.677 ( -3.548 -0.433 1.791) 3.998 33.677 ( -3.548 0.433 1.791) 3.998 33.916 ( -8.643 -0.872 -5.528) 10.297 33.916 ( -8.643 0.872 -5.528) 10.297 34.959 ( -1.348 -2.184 -0.592) 2.634 34.959 ( -1.348 2.184 -0.592) 2.634 35.233 ( 1.810 -0.574 3.705) 4.164 35.233 ( 1.810 0.574 3.705) 4.164 35.783 ( 1.983 -4.670 -4.640) 6.876 35.783 ( 1.983 4.670 -4.640) 6.876 35.889 ( 3.830 -2.983 -1.353) 5.040 35.889 ( 3.830 2.983 -1.353) 5.040 36.263 ( 4.306 -1.419 10.508) 11.444 36.263 ( 4.306 1.419 10.508) 11.444 36.525 ( -3.061 -3.016 1.763) 4.645 36.525 ( -3.061 3.016 1.763) 4.645 37.508 ( 1.351 -9.510 13.569) 16.624 37.508 ( 1.351 9.510 13.569) 16.624 38.167 ( -14.872 -10.914 -7.056) 19.750 38.167 ( -14.872 10.914 -7.056) 19.750 ======================= Grid point 26 (15/69) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -4.244 -7.202 -3.078) 8.908 1.858 ( -4.244 7.202 -3.078) 8.908 1.954 ( -1.398 -2.846 0.138) 3.174 1.954 ( -1.398 2.846 0.138) 3.174 2.248 ( 11.146 -1.624 3.784) 11.882 2.248 ( 11.146 1.624 3.784) 11.882 2.449 ( -4.220 -2.259 2.038) 5.203 2.449 ( -4.220 2.259 2.038) 5.203 2.657 ( 3.335 -6.146 0.117) 6.994 2.657 ( 3.335 6.146 0.117) 6.994 2.750 ( 4.753 -3.007 0.446) 5.642 2.750 ( 4.753 3.007 0.446) 5.642 3.005 ( 3.553 -3.185 -1.900) 5.136 3.005 ( 3.553 3.185 -1.900) 5.136 3.115 ( 0.187 -1.103 3.103) 3.298 3.115 ( 0.187 1.103 3.103) 3.298 3.189 ( 0.830 -4.371 3.359) 5.575 3.189 ( 0.830 4.371 3.359) 5.575 3.321 ( -0.731 -2.029 2.124) 3.027 3.321 ( -0.731 2.029 2.124) 3.027 3.558 ( 5.575 -4.685 2.280) 7.630 3.558 ( 5.575 4.685 2.280) 7.630 3.652 ( 1.277 -1.512 -0.156) 1.985 3.652 ( 1.277 1.512 -0.156) 1.985 3.710 ( -5.810 -4.582 1.992) 7.663 3.710 ( -5.810 4.582 1.992) 7.663 3.792 ( 3.109 -3.260 -4.153) 6.128 3.792 ( 3.109 3.260 -4.153) 6.128 4.026 ( -1.516 -2.510 2.158) 3.641 4.026 ( -1.516 2.510 2.158) 3.641 4.191 ( 3.368 -0.979 1.238) 3.719 4.191 ( 3.368 0.979 1.238) 3.719 4.276 ( 1.072 -2.117 -4.757) 5.316 4.276 ( 1.072 2.117 -4.757) 5.316 4.358 ( 3.819 -11.492 -0.248) 12.112 4.358 ( 3.819 11.492 -0.248) 12.112 4.545 ( -3.420 -6.049 -1.985) 7.227 4.545 ( -3.420 6.049 -1.985) 7.227 4.693 ( 1.282 -4.287 3.703) 5.808 4.693 ( 1.282 4.287 3.703) 5.808 4.833 ( 1.986 -7.343 -5.790) 9.560 4.833 ( 1.986 7.343 -5.790) 9.560 5.018 ( 0.969 -0.611 4.574) 4.715 5.018 ( 0.969 0.611 4.574) 4.715 5.134 ( -2.398 -4.791 1.838) 5.664 5.134 ( -2.398 4.791 1.838) 5.664 5.281 ( -2.013 -2.229 -0.292) 3.017 5.281 ( -2.013 2.229 -0.292) 3.017 5.352 ( 4.047 -7.050 1.827) 8.332 5.352 ( 4.047 7.050 1.827) 8.332 5.501 ( -0.566 -1.328 0.370) 1.490 5.501 ( -0.566 1.328 0.370) 1.490 5.656 ( -4.938 -6.076 -1.637) 7.999 5.656 ( -4.938 6.076 -1.637) 7.999 5.744 ( -0.220 -2.402 -4.633) 5.224 5.744 ( -0.220 2.402 -4.633) 5.224 5.861 ( 0.908 -3.672 -1.050) 3.926 5.861 ( 0.908 3.672 -1.050) 3.926 6.070 ( -0.801 -4.076 -0.771) 4.225 6.070 ( -0.801 4.076 -0.771) 4.225 6.274 ( 1.289 -0.560 -0.437) 1.472 6.274 ( 1.289 0.560 -0.437) 1.472 6.357 ( -2.359 -6.331 -0.385) 6.767 6.357 ( -2.359 6.331 -0.385) 6.767 6.883 ( 4.116 -1.195 2.579) 5.002 6.883 ( 4.116 1.195 2.579) 5.002 6.971 ( -2.166 -2.995 1.224) 3.893 6.971 ( -2.166 2.995 1.224) 3.893 7.182 ( 6.078 -2.168 0.531) 6.475 7.182 ( 6.078 2.168 0.531) 6.475 7.265 ( -2.433 -2.726 -0.339) 3.670 7.265 ( -2.433 2.726 -0.339) 3.670 7.326 ( -1.271 -2.358 -1.725) 3.186 7.326 ( -1.271 2.358 -1.725) 3.186 7.521 ( -2.904 -0.732 0.740) 3.085 7.521 ( -2.904 0.732 0.740) 3.085 7.933 ( -5.301 -8.607 -1.733) 10.256 7.933 ( -5.301 8.607 -1.733) 10.256 8.138 ( -4.802 -8.211 -0.631) 9.532 8.138 ( -4.802 8.211 -0.631) 9.532 9.119 ( 1.323 -0.262 0.092) 1.351 9.119 ( 1.323 0.262 0.092) 1.351 9.205 ( 0.424 -5.122 -0.070) 5.140 9.205 ( 0.424 5.122 -0.070) 5.140 9.454 ( 4.421 -0.262 -0.286) 4.438 9.454 ( 4.421 0.262 -0.286) 4.438 9.487 ( 0.950 -1.738 -0.415) 2.024 9.487 ( 0.950 1.738 -0.415) 2.024 9.644 ( 1.397 -1.200 0.770) 1.996 9.644 ( 1.397 1.200 0.770) 1.996 9.747 ( 2.063 -2.386 0.659) 3.222 9.747 ( 2.063 2.386 0.659) 3.222 9.795 ( -8.280 -1.919 -1.352) 8.606 9.795 ( -8.280 1.919 -1.352) 8.606 10.018 ( -4.969 -2.276 0.354) 5.477 10.018 ( -4.969 2.276 0.354) 5.477 10.283 ( -1.124 -0.711 0.534) 1.434 10.283 ( -1.124 0.711 0.534) 1.434 10.394 ( -1.518 -5.245 0.712) 5.506 10.394 ( -1.518 5.245 0.712) 5.506 10.724 ( -0.572 -8.230 -0.253) 8.254 10.724 ( -0.572 8.230 -0.253) 8.254 10.838 ( -1.820 -4.904 -0.715) 5.279 10.838 ( -1.820 4.904 -0.715) 5.279 11.824 ( 3.132 -2.784 -0.551) 4.226 11.824 ( 3.132 2.784 -0.551) 4.226 11.848 ( 1.476 -0.894 0.565) 1.816 11.848 ( 1.476 0.894 0.565) 1.816 12.210 ( -0.345 -3.269 0.466) 3.321 12.210 ( -0.345 3.269 0.466) 3.321 12.304 ( -1.082 -3.935 -0.415) 4.102 12.304 ( -1.082 3.935 -0.415) 4.102 12.372 ( 1.085 -4.106 0.480) 4.274 12.372 ( 1.085 4.106 0.480) 4.274 12.481 ( 1.909 -6.142 0.035) 6.432 12.481 ( 1.909 6.142 0.035) 6.432 12.815 ( -2.254 -2.656 -0.688) 3.550 12.815 ( -2.254 2.656 -0.688) 3.550 12.895 ( -0.175 -1.750 0.495) 1.827 12.895 ( -0.175 1.750 0.495) 1.827 13.674 ( 2.599 -5.437 -0.048) 6.026 13.674 ( 2.599 5.437 -0.048) 6.026 13.697 ( 1.467 -5.757 0.179) 5.944 13.697 ( 1.467 5.757 0.179) 5.944 14.271 ( 3.270 -3.258 -0.379) 4.632 14.271 ( 3.270 3.258 -0.379) 4.632 14.335 ( 3.638 -2.256 0.226) 4.287 14.335 ( 3.638 2.256 0.226) 4.287 14.583 ( -3.946 -5.061 0.646) 6.450 14.583 ( -3.946 5.061 0.646) 6.450 14.687 ( -3.586 -4.151 -0.453) 5.504 14.687 ( -3.586 4.151 -0.453) 5.504 15.199 ( 0.275 -2.868 0.543) 2.932 15.199 ( 0.275 2.868 0.543) 2.932 15.293 ( -1.215 -2.393 -0.265) 2.697 15.293 ( -1.215 2.393 -0.265) 2.697 15.600 ( 1.406 -0.973 0.434) 1.765 15.600 ( 1.406 0.973 0.434) 1.765 15.676 ( 2.947 -1.254 0.042) 3.203 15.676 ( 2.947 1.254 0.042) 3.203 16.083 ( 1.309 -2.776 -1.293) 3.331 16.083 ( 1.309 2.776 -1.293) 3.331 16.115 ( 2.436 -1.935 0.413) 3.139 16.115 ( 2.436 1.935 0.413) 3.139 16.643 ( -0.658 -0.270 -0.390) 0.811 16.643 ( -0.658 0.270 -0.390) 0.811 16.762 ( 0.130 -1.761 0.306) 1.792 16.762 ( 0.130 1.761 0.306) 1.792 17.397 ( 1.244 -0.608 1.024) 1.722 17.397 ( 1.244 0.608 1.024) 1.722 17.431 ( -0.561 -1.360 -0.985) 1.770 17.431 ( -0.561 1.360 -0.985) 1.770 20.048 ( 4.476 -0.582 -0.652) 4.560 20.048 ( 4.476 0.582 -0.652) 4.560 20.212 ( 0.876 -2.108 0.258) 2.297 20.212 ( 0.876 2.108 0.258) 2.297 20.331 ( -2.416 -2.495 0.172) 3.477 20.331 ( -2.416 2.495 0.172) 3.477 20.748 ( -1.521 -1.599 -0.672) 2.307 20.748 ( -1.521 1.599 -0.672) 2.307 22.392 ( 5.799 -2.644 -0.237) 6.378 22.392 ( 5.799 2.644 -0.237) 6.378 22.436 ( 3.214 -2.684 0.074) 4.188 22.436 ( 3.214 2.684 0.074) 4.188 22.764 ( -5.353 -3.053 -0.306) 6.170 22.764 ( -5.353 3.053 -0.306) 6.170 22.877 ( -4.694 -2.461 0.401) 5.315 22.877 ( -4.694 2.461 0.401) 5.315 27.563 ( 15.714 -6.981 -0.028) 17.195 27.563 ( 15.714 6.981 -0.028) 17.195 27.649 ( 13.477 -7.732 0.421) 15.543 27.649 ( 13.477 7.732 0.421) 15.543 28.248 ( -15.220 -8.664 -2.003) 17.628 28.248 ( -15.220 8.664 -2.003) 17.628 28.309 ( -12.820 -8.200 0.174) 15.219 28.309 ( -12.820 8.200 0.174) 15.219 30.608 ( 2.308 -3.656 0.930) 4.422 30.608 ( 2.308 3.656 0.930) 4.422 30.718 ( 1.707 -2.095 -0.561) 2.760 30.718 ( 1.707 2.095 -0.561) 2.760 31.189 ( 2.854 -2.297 -0.802) 3.750 31.189 ( 2.854 2.297 -0.802) 3.750 31.340 ( 5.595 -4.469 1.658) 7.350 31.340 ( 5.595 4.469 1.658) 7.350 31.581 ( -7.200 -1.886 -0.688) 7.474 31.581 ( -7.200 1.886 -0.688) 7.474 31.735 ( -3.075 -4.721 -1.482) 5.826 31.735 ( -3.075 4.721 -1.482) 5.826 32.201 ( 2.791 -5.589 1.523) 6.430 32.201 ( 2.791 5.589 1.523) 6.430 32.285 ( 0.035 -6.008 -6.629) 8.946 32.285 ( 0.035 6.008 -6.629) 8.946 33.171 ( 4.464 -2.994 2.416) 5.893 33.171 ( 4.464 2.994 2.416) 5.893 33.454 ( 6.136 -0.474 -1.829) 6.420 33.454 ( 6.136 0.474 -1.829) 6.420 33.652 ( -2.020 -1.105 1.570) 2.787 33.652 ( -2.020 1.105 1.570) 2.787 33.749 ( -5.558 -0.363 -2.351) 6.046 33.749 ( -5.558 0.363 -2.351) 6.046 34.934 ( -0.693 -2.173 -0.456) 2.325 34.934 ( -0.693 2.173 -0.456) 2.325 35.288 ( 0.866 -0.737 1.670) 2.020 35.288 ( 0.866 0.737 1.670) 2.020 35.760 ( 0.405 -5.620 -1.982) 5.973 35.760 ( 0.405 5.620 -1.982) 5.973 35.919 ( 1.316 -2.741 -0.425) 3.070 35.919 ( 1.316 2.741 -0.425) 3.070 36.426 ( 3.097 -1.891 5.340) 6.456 36.426 ( 3.097 1.891 5.340) 6.456 36.504 ( -1.099 -3.113 0.392) 3.325 36.504 ( -1.099 3.113 0.392) 3.325 37.604 ( -0.397 -3.927 2.797) 4.838 37.604 ( -0.397 3.927 2.797) 4.838 37.932 ( -6.287 -7.586 -2.462) 10.156 37.932 ( -6.287 7.586 -2.462) 10.156 ======================= Grid point 45 (16/69) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 5.905 0.000 19.962) 20.817 0.516 ( -1.681 0.000 26.391) 26.445 1.112 ( 3.450 0.000 51.773) 51.887 1.718 ( -2.074 0.000 -12.187) 12.362 1.946 ( 2.336 0.000 13.722) 13.919 2.013 ( 3.073 0.000 5.892) 6.645 2.205 ( -6.448 0.000 0.486) 6.467 2.417 ( -0.816 0.000 0.412) 0.914 2.478 ( -3.601 0.000 1.797) 4.025 2.599 ( -0.914 0.000 13.641) 13.672 2.774 ( 4.399 0.000 5.347) 6.924 2.778 ( -2.486 0.000 2.803) 3.747 2.828 ( 4.512 0.000 -7.789) 9.001 2.895 ( 3.331 0.000 1.616) 3.703 2.953 ( -5.793 0.000 -4.852) 7.556 2.962 ( -0.446 0.000 3.442) 3.471 3.020 ( 2.385 0.000 -1.279) 2.706 3.097 ( 0.716 0.000 -2.506) 2.606 3.165 ( -4.161 0.000 0.546) 4.196 3.268 ( 3.972 0.000 -0.517) 4.006 3.290 ( 0.203 0.000 0.340) 0.396 3.365 ( 0.338 0.000 -3.594) 3.610 3.371 ( 4.587 0.000 2.418) 5.185 3.452 ( 1.093 0.000 10.909) 10.963 3.552 ( -1.016 0.000 -4.098) 4.222 3.635 ( 1.212 0.000 1.829) 2.194 3.647 ( 3.013 0.000 -2.664) 4.022 3.687 ( -2.849 0.000 -0.419) 2.879 3.811 ( 0.732 0.000 -4.115) 4.180 3.812 ( -6.749 0.000 2.299) 7.130 3.868 ( 1.028 0.000 0.968) 1.412 3.980 ( 1.633 0.000 0.327) 1.666 4.040 ( 2.088 0.000 3.122) 3.756 4.212 ( 1.552 0.000 6.932) 7.104 4.228 ( -2.896 0.000 -6.239) 6.878 4.370 ( 0.040 0.000 0.404) 0.406 4.455 ( -11.119 0.000 0.122) 11.120 4.514 ( 1.838 0.000 -0.623) 1.941 4.555 ( -0.206 0.000 6.753) 6.756 4.789 ( 0.291 0.000 -4.622) 4.631 4.834 ( 0.962 0.000 -4.944) 5.036 4.980 ( 2.333 0.000 2.121) 3.153 4.995 ( -0.541 0.000 1.704) 1.788 5.063 ( 1.220 0.000 -5.604) 5.735 5.070 ( -1.706 0.000 -5.062) 5.342 5.247 ( -2.838 0.000 -1.846) 3.385 5.262 ( 0.359 0.000 -6.363) 6.373 5.309 ( 2.510 0.000 2.859) 3.805 5.422 ( 2.384 0.000 3.041) 3.864 5.445 ( -2.677 0.000 -5.688) 6.287 5.569 ( 5.058 0.000 2.912) 5.837 5.605 ( 2.731 0.000 -5.513) 6.152 5.676 ( -0.744 0.000 -7.904) 7.938 5.700 ( 3.764 0.000 -3.449) 5.106 5.832 ( -4.150 0.000 0.316) 4.162 5.930 ( 6.393 0.000 4.678) 7.921 6.050 ( -3.561 0.000 -9.805) 10.432 6.136 ( -0.990 0.000 -3.462) 3.601 6.183 ( -2.086 0.000 -0.362) 2.117 6.377 ( 3.527 0.000 -0.039) 3.527 6.392 ( 2.889 0.000 -6.240) 6.876 6.465 ( -3.979 0.000 -0.972) 4.096 6.524 ( -2.102 0.000 4.380) 4.858 6.588 ( -0.553 0.000 0.655) 0.857 6.704 ( -2.852 0.000 0.357) 2.874 6.813 ( -3.887 0.000 -0.773) 3.963 6.954 ( -1.222 0.000 3.048) 3.284 6.961 ( 3.330 0.000 0.617) 3.386 7.041 ( 0.343 0.000 -1.853) 1.885 7.148 ( -2.256 0.000 1.883) 2.939 7.165 ( 4.351 0.000 1.449) 4.586 7.216 ( 2.670 0.000 -1.888) 3.270 7.543 ( 2.385 0.000 2.399) 3.383 7.596 ( -0.810 0.000 1.434) 1.647 7.660 ( -0.953 0.000 2.149) 2.350 7.717 ( 2.193 0.000 0.662) 2.291 8.608 ( -0.457 0.000 1.669) 1.731 8.788 ( -2.524 0.000 -3.281) 4.140 8.818 ( 2.951 0.000 0.152) 2.955 8.850 ( 4.353 0.000 -0.132) 4.355 8.979 ( -2.243 0.000 0.374) 2.274 9.064 ( 1.463 0.000 -0.560) 1.566 9.172 ( -7.493 0.000 1.468) 7.635 9.246 ( 0.386 0.000 -1.198) 1.259 9.265 ( -0.499 0.000 -0.221) 0.545 9.315 ( 1.959 0.000 -1.371) 2.391 9.349 ( 1.638 0.000 -3.629) 3.982 9.432 ( -2.428 0.000 -2.426) 3.432 9.462 ( -0.587 0.000 -0.913) 1.085 9.503 ( 3.149 0.000 -0.627) 3.211 9.537 ( -5.131 0.000 2.199) 5.582 9.728 ( 3.561 0.000 -2.050) 4.109 9.871 ( -3.231 0.000 5.413) 6.304 10.237 ( 0.883 0.000 0.382) 0.962 10.259 ( -1.254 0.000 1.351) 1.843 10.383 ( 0.958 0.000 -1.668) 1.923 10.534 ( 1.058 0.000 1.782) 2.072 10.663 ( 0.235 0.000 -4.003) 4.010 10.861 ( -0.418 0.000 0.594) 0.727 10.880 ( 0.731 0.000 -1.336) 1.523 10.906 ( -2.060 0.000 -0.526) 2.126 10.931 ( -3.471 0.000 -1.230) 3.683 11.097 ( 3.503 0.000 0.913) 3.620 11.188 ( -2.547 0.000 -1.475) 2.943 11.216 ( -0.510 0.000 0.308) 0.596 11.231 ( 2.803 0.000 -0.029) 2.803 11.701 ( -1.347 0.000 0.293) 1.379 11.714 ( 1.330 0.000 -0.010) 1.330 11.933 ( -3.050 0.000 2.159) 3.737 12.147 ( 2.555 0.000 -3.504) 4.337 12.323 ( -1.862 0.000 2.105) 2.810 12.368 ( -0.956 0.000 1.179) 1.518 12.432 ( 0.805 0.000 -0.713) 1.075 12.435 ( 0.776 0.000 -0.602) 0.983 12.453 ( -1.004 0.000 0.107) 1.009 12.469 ( 2.516 0.000 0.932) 2.683 12.538 ( -2.276 0.000 -1.940) 2.991 12.590 ( 0.685 0.000 -0.837) 1.082 13.004 ( 1.451 0.000 1.047) 1.789 13.041 ( -0.765 0.000 0.276) 0.813 13.255 ( -0.554 0.000 0.744) 0.928 13.364 ( 0.838 0.000 -1.969) 2.140 13.394 ( 2.462 0.000 1.540) 2.905 13.466 ( -1.005 0.000 -0.069) 1.007 14.027 ( 0.549 0.000 0.821) 0.988 14.089 ( -0.222 0.000 -0.609) 0.648 14.226 ( 2.242 0.000 0.027) 2.242 14.229 ( -1.330 0.000 -0.111) 1.335 14.473 ( -1.379 0.000 0.832) 1.610 14.479 ( -1.428 0.000 0.840) 1.656 14.615 ( 1.328 0.000 -0.667) 1.486 14.615 ( 12.191 0.000 -0.708) 12.211 14.865 ( -2.852 0.000 1.432) 3.191 14.934 ( 0.303 0.000 -0.125) 0.328 15.032 ( 0.591 0.000 -0.612) 0.850 15.074 ( 1.749 0.000 -1.719) 2.452 15.097 ( 4.114 0.000 1.936) 4.547 15.209 ( -4.454 0.000 -0.582) 4.492 15.776 ( 0.940 0.000 2.135) 2.332 15.811 ( -2.043 0.000 -0.071) 2.044 15.876 ( -1.998 0.000 0.513) 2.062 15.911 ( -0.798 0.000 -0.022) 0.798 16.019 ( 1.457 0.000 2.725) 3.090 16.351 ( 0.167 0.000 -3.161) 3.165 16.557 ( 0.100 0.000 0.206) 0.229 16.598 ( 0.945 0.000 1.601) 1.859 16.629 ( -4.904 0.000 -2.237) 5.391 16.695 ( 0.256 0.000 -0.023) 0.257 17.339 ( -0.146 0.000 1.558) 1.565 17.364 ( 0.552 0.000 0.177) 0.579 17.392 ( -0.441 0.000 -0.232) 0.499 17.425 ( 0.712 0.000 -0.161) 0.730 19.754 ( -3.139 0.000 0.466) 3.173 19.908 ( 0.907 0.000 -3.817) 3.923 20.084 ( -0.367 0.000 1.634) 1.675 20.133 ( 0.298 0.000 0.289) 0.415 20.521 ( -2.119 0.000 1.758) 2.754 20.586 ( 0.171 0.000 0.974) 0.989 20.826 ( 1.146 0.000 -1.523) 1.906 20.859 ( 1.369 0.000 -1.533) 2.055 21.940 ( 0.766 0.000 2.705) 2.811 22.113 ( 0.445 0.000 -1.617) 1.678 22.212 ( 1.474 0.000 0.418) 1.532 22.231 ( -0.558 0.000 -0.213) 0.597 23.169 ( -5.484 0.000 -2.595) 6.067 23.193 ( 2.622 0.000 -4.434) 5.151 23.400 ( -2.047 0.000 3.191) 3.791 23.403 ( -0.361 0.000 2.055) 2.086 26.518 ( -0.030 0.000 -0.369) 0.371 26.518 ( 0.570 0.000 -0.231) 0.615 26.542 ( 0.296 0.000 0.640) 0.706 26.559 ( 1.411 0.000 0.145) 1.419 29.075 ( -0.035 0.000 1.848) 1.848 29.178 ( -1.969 0.000 2.138) 2.907 29.271 ( 4.153 0.000 -1.106) 4.298 29.520 ( -0.242 0.000 -3.985) 3.993 29.674 ( -1.664 0.000 1.448) 2.206 29.833 ( 0.234 0.000 -2.639) 2.650 30.354 ( -0.672 0.000 8.876) 8.901 30.750 ( 0.131 0.000 -0.077) 0.152 30.805 ( -0.079 0.000 1.519) 1.521 30.923 ( 0.988 0.000 -2.591) 2.773 31.060 ( -4.174 0.000 1.733) 4.519 31.105 ( -0.240 0.000 0.344) 0.419 31.497 ( -1.042 0.000 -0.111) 1.048 31.503 ( 0.632 0.000 -0.392) 0.743 31.867 ( 1.766 0.000 4.500) 4.834 32.147 ( 1.600 0.000 0.863) 1.817 32.218 ( -1.674 0.000 -0.587) 1.774 32.354 ( 4.733 0.000 -0.464) 4.755 32.376 ( -0.457 0.000 0.933) 1.039 32.596 ( -5.482 0.000 0.916) 5.558 32.614 ( -0.625 0.000 -2.456) 2.535 32.637 ( 0.521 0.000 0.510) 0.729 32.853 ( 2.594 0.000 -2.121) 3.350 33.520 ( -1.129 0.000 -9.514) 9.581 33.709 ( 0.002 0.000 4.475) 4.475 34.142 ( -1.333 0.000 -35.816) 35.841 34.204 ( 0.178 0.000 -8.282) 8.284 34.300 ( -0.013 0.000 -6.463) 6.463 34.987 ( -2.491 0.000 2.197) 3.321 35.005 ( 4.792 0.000 4.188) 6.364 35.074 ( -1.761 0.000 4.766) 5.081 35.074 ( 6.873 0.000 0.673) 6.906 35.589 ( 0.820 0.000 -1.886) 2.057 35.667 ( 1.796 0.000 -2.120) 2.778 35.752 ( -0.053 0.000 -0.752) 0.754 35.753 ( 1.232 0.000 -0.331) 1.276 36.012 ( 0.291 0.000 7.792) 7.797 36.099 ( -0.082 0.000 7.206) 7.206 36.580 ( 0.792 0.000 6.527) 6.575 36.680 ( -0.633 0.000 -5.107) 5.146 36.773 ( -0.280 0.000 26.216) 26.218 38.311 ( -0.146 0.000 -10.267) 10.268 38.776 ( -4.681 0.000 2.902) 5.508 39.047 ( 0.451 0.000 -3.085) 3.118 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 13.459 0.000 22.356) 26.095 0.999 ( 31.529 0.000 17.418) 36.021 1.699 ( 20.110 0.000 -15.384) 25.320 1.823 ( 16.252 0.000 39.824) 43.013 1.892 ( -0.768 0.000 -10.625) 10.653 2.016 ( -8.490 0.000 -2.871) 8.962 2.337 ( 5.138 0.000 21.687) 22.287 2.343 ( -5.258 0.000 -4.655) 7.023 2.589 ( 1.616 0.000 19.465) 19.532 2.604 ( -7.901 0.000 -10.942) 13.496 2.751 ( -0.949 0.000 -0.425) 1.039 2.779 ( -3.798 0.000 7.255) 8.189 2.866 ( 0.193 0.000 7.344) 7.347 2.870 ( 1.040 0.000 5.215) 5.318 2.924 ( -2.852 0.000 0.557) 2.906 2.994 ( 0.903 0.000 4.107) 4.205 3.028 ( 2.761 0.000 1.064) 2.959 3.163 ( -4.698 0.000 -0.403) 4.715 3.265 ( 10.305 0.000 -2.732) 10.661 3.270 ( -2.057 0.000 -7.477) 7.755 3.308 ( 5.588 0.000 -4.332) 7.071 3.382 ( 13.285 0.000 1.099) 13.330 3.491 ( 3.183 0.000 7.087) 7.770 3.491 ( -1.940 0.000 -2.419) 3.100 3.554 ( -7.243 0.000 -10.041) 12.380 3.559 ( 1.016 0.000 6.282) 6.364 3.592 ( -4.769 0.000 -1.634) 5.041 3.635 ( -0.772 0.000 -0.485) 0.912 3.781 ( 5.076 0.000 -1.534) 5.303 3.827 ( 4.644 0.000 1.481) 4.874 3.969 ( -3.717 0.000 0.507) 3.752 4.008 ( 7.417 0.000 3.167) 8.064 4.144 ( 3.421 0.000 -9.782) 10.363 4.193 ( 10.175 0.000 1.619) 10.303 4.220 ( -3.659 0.000 -1.317) 3.889 4.377 ( -0.768 0.000 6.728) 6.772 4.400 ( 1.908 0.000 1.479) 2.414 4.493 ( -0.995 0.000 -2.714) 2.891 4.665 ( 0.987 0.000 8.526) 8.583 4.749 ( -0.396 0.000 -4.389) 4.406 4.757 ( -0.103 0.000 -3.719) 3.721 4.955 ( 0.357 0.000 -7.104) 7.113 4.989 ( -3.229 0.000 2.785) 4.264 5.043 ( -1.730 0.000 1.550) 2.323 5.053 ( 1.160 0.000 -0.211) 1.179 5.182 ( -1.536 0.000 -3.159) 3.513 5.227 ( 4.920 0.000 -8.390) 9.726 5.360 ( -0.270 0.000 -2.441) 2.456 5.383 ( 1.733 0.000 0.095) 1.735 5.483 ( 1.094 0.000 0.115) 1.100 5.537 ( -5.900 0.000 -5.469) 8.044 5.592 ( 0.830 0.000 -0.496) 0.967 5.648 ( 5.993 0.000 1.397) 6.154 5.718 ( 2.588 0.000 -3.793) 4.592 5.819 ( 0.717 0.000 0.297) 0.776 5.953 ( 3.508 0.000 -6.165) 7.094 6.034 ( -1.053 0.000 1.803) 2.088 6.086 ( 1.784 0.000 -6.127) 6.382 6.088 ( -7.264 0.000 -2.173) 7.583 6.292 ( 3.209 0.000 -9.955) 10.459 6.440 ( 3.156 0.000 0.500) 3.196 6.455 ( -2.320 0.000 2.326) 3.285 6.538 ( -8.281 0.000 5.707) 10.057 6.555 ( -3.215 0.000 -0.266) 3.226 6.669 ( 0.396 0.000 5.587) 5.601 6.754 ( -2.860 0.000 -1.120) 3.071 6.866 ( -11.363 0.000 2.226) 11.579 6.964 ( -1.587 0.000 2.764) 3.188 6.987 ( -1.940 0.000 0.342) 1.970 7.155 ( -0.237 0.000 3.375) 3.384 7.196 ( 0.077 0.000 -3.954) 3.954 7.255 ( 3.295 0.000 -0.401) 3.319 7.538 ( -6.107 0.000 0.460) 6.124 7.588 ( -0.337 0.000 2.000) 2.028 7.652 ( -6.473 0.000 8.409) 10.612 7.683 ( -0.047 0.000 -0.618) 0.619 8.492 ( -12.847 0.000 0.952) 12.882 8.545 ( -19.603 0.000 -2.921) 19.819 8.788 ( -10.666 0.000 -0.716) 10.690 8.844 ( -2.856 0.000 -2.583) 3.851 8.992 ( -1.486 0.000 3.928) 4.200 9.032 ( -5.964 0.000 2.839) 6.605 9.106 ( -9.358 0.000 -2.279) 9.632 9.131 ( 6.024 0.000 -2.947) 6.706 9.346 ( 4.885 0.000 -2.788) 5.625 9.350 ( 6.856 0.000 0.298) 6.863 9.365 ( 0.320 0.000 1.289) 1.328 9.407 ( 2.721 0.000 -2.853) 3.943 9.452 ( 1.481 0.000 -1.823) 2.349 9.525 ( 0.689 0.000 2.175) 2.281 9.591 ( 7.804 0.000 -0.153) 7.805 9.815 ( 8.114 0.000 -1.946) 8.344 9.916 ( 0.014 0.000 6.516) 6.516 10.199 ( -6.073 0.000 1.358) 6.223 10.252 ( -0.756 0.000 -1.743) 1.900 10.361 ( -3.199 0.000 -0.570) 3.250 10.499 ( -7.133 0.000 1.103) 7.218 10.562 ( -6.484 0.000 -3.832) 7.532 10.758 ( -10.418 0.000 -0.697) 10.442 10.788 ( -9.155 0.000 0.497) 9.169 10.801 ( -9.546 0.000 -1.218) 9.624 10.886 ( -2.668 0.000 0.653) 2.747 11.121 ( -3.038 0.000 -2.418) 3.883 11.122 ( -1.457 0.000 2.053) 2.517 11.358 ( 13.970 0.000 -0.298) 13.973 11.382 ( 13.984 0.000 -1.101) 14.027 11.677 ( -0.695 0.000 -0.422) 0.813 11.715 ( -0.750 0.000 0.852) 1.135 11.979 ( 4.641 0.000 1.878) 5.007 12.159 ( 2.859 0.000 -2.744) 3.963 12.319 ( -5.519 0.000 1.621) 5.752 12.337 ( 0.365 0.000 1.949) 1.983 12.393 ( -2.706 0.000 -0.883) 2.846 12.434 ( -0.206 0.000 -0.435) 0.481 12.465 ( 1.407 0.000 0.108) 1.411 12.517 ( 1.694 0.000 0.199) 1.705 12.553 ( 5.416 0.000 -1.041) 5.515 12.628 ( 4.783 0.000 -1.077) 4.903 13.025 ( -0.787 0.000 -0.341) 0.858 13.027 ( 0.728 0.000 1.125) 1.340 13.255 ( -0.362 0.000 0.661) 0.753 13.349 ( 0.048 0.000 -1.428) 1.429 13.560 ( 13.179 0.000 0.750) 13.200 13.698 ( 22.037 0.000 -7.587) 23.307 13.999 ( -7.247 0.000 0.657) 7.277 14.014 ( -8.406 0.000 -0.546) 8.424 14.219 ( 4.501 0.000 -0.472) 4.526 14.251 ( 2.482 0.000 0.003) 2.482 14.427 ( -5.691 0.000 1.434) 5.869 14.486 ( -2.938 0.000 -0.693) 3.019 14.657 ( 7.556 0.000 -0.186) 7.558 14.759 ( 3.760 0.000 -1.246) 3.961 14.934 ( 13.869 0.000 -2.731) 14.136 14.949 ( 1.820 0.000 -0.155) 1.826 15.138 ( 11.033 0.000 0.004) 11.033 15.177 ( 9.492 0.000 -0.431) 9.502 15.228 ( 11.431 0.000 -2.777) 11.764 15.336 ( 19.906 0.000 -3.754) 20.256 15.750 ( -4.463 0.000 -0.070) 4.463 15.787 ( -6.235 0.000 2.230) 6.622 15.836 ( 1.282 0.000 0.271) 1.310 15.928 ( 2.088 0.000 -1.552) 2.602 16.066 ( -1.271 0.000 4.602) 4.774 16.265 ( -4.808 0.000 -5.390) 7.223 16.599 ( 3.347 0.000 1.208) 3.559 16.614 ( 4.647 0.000 -2.470) 5.263 16.647 ( 2.316 0.000 2.198) 3.193 16.703 ( 1.721 0.000 -2.211) 2.802 17.351 ( -0.562 0.000 1.363) 1.474 17.372 ( 0.114 0.000 0.261) 0.285 17.382 ( -0.148 0.000 -0.385) 0.412 17.438 ( 1.236 0.000 -0.403) 1.300 19.752 ( 1.088 0.000 2.013) 2.288 19.906 ( 4.225 0.000 -4.024) 5.835 20.092 ( -0.647 0.000 1.521) 1.653 20.130 ( -0.357 0.000 -0.064) 0.362 20.487 ( -4.565 0.000 1.785) 4.902 20.590 ( -1.756 0.000 1.536) 2.333 20.801 ( -0.915 0.000 -2.271) 2.448 20.860 ( 0.772 0.000 -1.407) 1.605 22.018 ( 4.677 0.000 3.036) 5.576 22.114 ( 2.171 0.000 -2.116) 3.032 22.221 ( 0.993 0.000 1.722) 1.988 22.232 ( 1.289 0.000 -0.533) 1.395 23.061 ( -6.315 0.000 -1.108) 6.412 23.150 ( -2.457 0.000 -2.770) 3.702 23.337 ( -9.553 0.000 2.566) 9.892 23.371 ( -5.944 0.000 1.775) 6.203 26.591 ( 9.045 0.000 0.216) 9.048 26.613 ( 12.267 0.000 -0.488) 12.277 26.671 ( 14.568 0.000 1.680) 14.665 26.925 ( 37.390 0.000 -17.170) 41.145 28.944 ( -17.171 0.000 1.963) 17.283 29.030 ( -16.817 0.000 -1.414) 16.876 29.202 ( -9.999 0.000 3.676) 10.654 29.374 ( -10.610 0.000 -4.630) 11.576 29.845 ( 16.369 0.000 1.215) 16.414 29.936 ( 13.544 0.000 -1.952) 13.684 30.492 ( 3.890 0.000 8.153) 9.034 30.743 ( 0.381 0.000 -2.202) 2.234 30.843 ( 2.742 0.000 1.940) 3.359 30.924 ( 1.896 0.000 -2.316) 2.994 31.142 ( 9.735 0.000 -2.716) 10.107 31.151 ( 5.232 0.000 0.387) 5.246 31.503 ( 1.807 0.000 -0.508) 1.877 31.547 ( 4.781 0.000 0.920) 4.868 31.975 ( 0.675 0.000 6.470) 6.505 32.095 ( -6.395 0.000 3.122) 7.117 32.102 ( -9.302 0.000 -2.213) 9.562 32.293 ( -7.792 0.000 1.174) 7.880 32.343 ( -6.249 0.000 -1.918) 6.537 32.624 ( 8.807 0.000 3.585) 9.508 32.679 ( 8.380 0.000 -7.316) 11.125 32.739 ( 10.894 0.000 -0.141) 10.895 32.950 ( 10.783 0.000 -1.899) 10.949 33.272 ( -1.728 0.000 -24.836) 24.896 33.751 ( -2.155 0.000 5.635) 6.033 33.840 ( -3.202 0.000 -8.864) 9.424 34.089 ( -3.101 0.000 -6.867) 7.535 34.186 ( -4.073 0.000 -7.738) 8.744 34.964 ( -2.787 0.000 0.971) 2.952 35.082 ( -2.454 0.000 2.009) 3.171 35.108 ( 3.899 0.000 2.631) 4.704 35.171 ( 3.411 0.000 2.894) 4.474 35.586 ( 2.624 0.000 -3.950) 4.742 35.694 ( 4.312 0.000 -1.561) 4.586 35.769 ( 3.898 0.000 -2.475) 4.617 35.793 ( 4.680 0.000 -0.934) 4.773 36.133 ( 1.749 0.000 10.574) 10.718 36.204 ( 0.428 0.000 10.520) 10.528 36.539 ( -0.530 0.000 -6.563) 6.585 36.596 ( -0.218 0.000 -7.529) 7.533 37.155 ( 0.598 0.000 31.791) 31.796 38.118 ( -5.511 0.000 -15.267) 16.231 38.528 ( -29.187 0.000 17.350) 33.955 38.929 ( -10.029 0.000 -4.735) 11.091 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 10.369 0.000 15.879) 18.965 1.622 ( 19.267 0.000 17.312) 25.902 1.799 ( 10.236 0.000 -16.286) 19.236 1.942 ( 27.633 0.000 -13.022) 30.547 1.943 ( 2.605 0.000 8.030) 8.442 2.235 ( 4.768 0.000 -9.809) 10.907 2.338 ( -6.943 0.000 -8.890) 11.280 2.430 ( 11.278 0.000 20.521) 23.416 2.632 ( -9.666 0.000 -5.348) 11.047 2.673 ( 7.765 0.000 17.434) 19.085 2.771 ( -1.955 0.000 -4.203) 4.635 2.782 ( -0.640 0.000 8.721) 8.745 2.893 ( -1.682 0.000 2.976) 3.419 2.991 ( 0.316 0.000 10.816) 10.821 3.002 ( -9.201 0.000 6.911) 11.507 3.050 ( 3.835 0.000 0.303) 3.847 3.058 ( -4.876 0.000 -10.477) 11.556 3.137 ( 1.729 0.000 3.294) 3.720 3.157 ( 6.933 0.000 9.541) 11.795 3.215 ( 1.641 0.000 -9.190) 9.336 3.292 ( 0.112 0.000 -5.689) 5.690 3.353 ( 2.772 0.000 -0.539) 2.824 3.503 ( 2.114 0.000 -4.821) 5.264 3.518 ( 3.401 0.000 3.926) 5.194 3.612 ( 5.272 0.000 -5.061) 7.308 3.627 ( 4.166 0.000 -2.446) 4.831 3.710 ( 3.632 0.000 12.464) 12.983 3.731 ( 13.399 0.000 5.312) 14.414 3.810 ( -0.330 0.000 -3.440) 3.455 3.913 ( 1.742 0.000 1.878) 2.561 3.968 ( 4.057 0.000 4.329) 5.933 4.075 ( 5.776 0.000 -9.233) 10.891 4.124 ( 5.543 0.000 -7.185) 9.075 4.156 ( -1.900 0.000 -2.255) 2.948 4.318 ( 3.568 0.000 -0.178) 3.572 4.419 ( -1.921 0.000 -2.377) 3.057 4.468 ( 2.993 0.000 6.143) 6.834 4.496 ( 4.650 0.000 2.316) 5.195 4.686 ( -2.310 0.000 -0.849) 2.461 4.697 ( -1.887 0.000 -4.600) 4.972 4.833 ( 3.315 0.000 13.436) 13.839 4.918 ( 3.877 0.000 -6.104) 7.232 5.005 ( -0.851 0.000 5.456) 5.522 5.016 ( -3.900 0.000 1.812) 4.300 5.056 ( 0.007 0.000 -0.380) 0.380 5.123 ( -0.523 0.000 -2.210) 2.271 5.203 ( 2.705 0.000 -5.359) 6.003 5.340 ( -3.245 0.000 -3.190) 4.550 5.401 ( -2.319 0.000 -5.694) 6.149 5.405 ( 3.650 0.000 3.010) 4.731 5.486 ( 0.670 0.000 -1.099) 1.287 5.612 ( -2.858 0.000 3.019) 4.157 5.681 ( 0.339 0.000 -7.940) 7.947 5.746 ( 1.714 0.000 2.344) 2.904 5.810 ( -3.767 0.000 1.847) 4.196 5.928 ( -1.807 0.000 -3.963) 4.356 5.969 ( -2.004 0.000 -7.404) 7.671 5.975 ( -2.426 0.000 -6.609) 7.040 6.044 ( 3.440 0.000 4.418) 5.599 6.348 ( 3.206 0.000 -2.714) 4.201 6.406 ( -11.404 0.000 5.213) 12.539 6.427 ( 0.850 0.000 1.197) 1.468 6.493 ( 0.997 0.000 0.125) 1.005 6.509 ( -1.258 0.000 -0.536) 1.367 6.687 ( -2.777 0.000 -1.740) 3.278 6.773 ( 2.843 0.000 3.101) 4.207 6.874 ( 4.762 0.000 6.695) 8.216 6.934 ( -3.510 0.000 -0.229) 3.518 6.976 ( 0.164 0.000 2.474) 2.479 7.106 ( -2.108 0.000 -1.756) 2.743 7.263 ( 5.014 0.000 2.885) 5.784 7.273 ( 0.967 0.000 -1.371) 1.678 7.422 ( -6.349 0.000 -3.575) 7.286 7.552 ( -5.007 0.000 -1.171) 5.142 7.624 ( -4.132 0.000 -3.860) 5.654 7.675 ( -2.777 0.000 6.088) 6.691 8.185 ( -21.202 0.000 -2.726) 21.377 8.263 ( -16.275 0.000 -0.293) 16.277 8.531 ( -18.080 0.000 -1.236) 18.122 8.705 ( -11.952 0.000 -0.585) 11.966 8.987 ( -0.553 0.000 -2.420) 2.482 9.009 ( 0.110 0.000 0.383) 0.398 9.038 ( 0.165 0.000 4.598) 4.601 9.224 ( 7.045 0.000 -0.387) 7.056 9.363 ( 0.981 0.000 -0.461) 1.084 9.421 ( 2.686 0.000 0.427) 2.720 9.428 ( 4.628 0.000 1.477) 4.858 9.452 ( 1.789 0.000 -2.554) 3.118 9.474 ( 6.778 0.000 -1.070) 6.862 9.581 ( 3.811 0.000 1.092) 3.965 9.700 ( 5.078 0.000 0.584) 5.111 9.890 ( 3.758 0.000 -1.629) 4.096 9.993 ( 0.491 0.000 4.895) 4.920 10.090 ( -10.154 0.000 1.458) 10.258 10.176 ( -4.282 0.000 -4.637) 6.312 10.270 ( -9.082 0.000 1.516) 9.208 10.362 ( -10.840 0.000 0.823) 10.871 10.396 ( -8.741 0.000 -3.078) 9.267 10.565 ( -10.842 0.000 -2.745) 11.184 10.629 ( -9.956 0.000 0.018) 9.956 10.700 ( -5.011 0.000 3.155) 5.922 10.825 ( -5.135 0.000 -0.075) 5.136 11.043 ( -3.426 0.000 -2.006) 3.970 11.074 ( -7.025 0.000 1.000) 7.095 11.589 ( 15.116 0.000 -0.033) 15.116 11.597 ( 13.743 0.000 -0.362) 13.748 11.698 ( 3.677 0.000 -0.047) 3.677 11.735 ( 2.067 0.000 0.705) 2.184 12.077 ( 5.046 0.000 1.403) 5.237 12.157 ( 0.166 0.000 -2.013) 2.020 12.272 ( -3.408 0.000 2.915) 4.485 12.297 ( -4.526 0.000 -0.100) 4.527 12.421 ( -0.804 0.000 -0.273) 0.849 12.430 ( 4.642 0.000 0.688) 4.693 12.492 ( 3.295 0.000 -0.437) 3.324 12.516 ( -0.328 0.000 -1.666) 1.698 12.642 ( 5.263 0.000 0.964) 5.351 12.700 ( 5.001 0.000 -0.672) 5.046 13.013 ( -0.660 0.000 -0.157) 0.679 13.039 ( -0.687 0.000 -0.059) 0.690 13.266 ( 1.543 0.000 0.246) 1.563 13.344 ( 1.295 0.000 -0.606) 1.429 13.840 ( 3.548 0.000 2.063) 4.104 13.859 ( -7.902 0.000 -0.144) 7.903 13.882 ( 6.442 0.000 1.589) 6.635 13.907 ( 13.358 0.000 -3.620) 13.840 14.281 ( 1.522 0.000 -0.914) 1.775 14.324 ( 7.662 0.000 -0.391) 7.672 14.359 ( -4.017 0.000 0.901) 4.117 14.407 ( -4.750 0.000 -0.548) 4.781 14.768 ( 4.611 0.000 -1.201) 4.765 14.784 ( 0.640 0.000 0.555) 0.847 15.001 ( 6.644 0.000 -0.277) 6.650 15.110 ( 11.283 0.000 -2.967) 11.667 15.318 ( 8.944 0.000 0.506) 8.958 15.327 ( 11.366 0.000 0.724) 11.389 15.455 ( 16.790 0.000 -1.084) 16.825 15.538 ( 9.255 0.000 -0.848) 9.294 15.683 ( -4.269 0.000 0.316) 4.280 15.684 ( -6.512 0.000 0.095) 6.512 15.919 ( 6.131 0.000 2.566) 6.646 15.951 ( 6.815 0.000 -5.164) 8.550 16.077 ( -3.723 0.000 4.415) 5.775 16.108 ( -6.073 0.000 -5.566) 8.238 16.645 ( 0.492 0.000 1.292) 1.382 16.678 ( 5.012 0.000 -2.354) 5.537 16.696 ( 1.658 0.000 -1.999) 2.597 16.722 ( 2.796 0.000 2.992) 4.095 17.353 ( -0.211 0.000 0.390) 0.443 17.377 ( 0.297 0.000 0.407) 0.504 17.385 ( 0.529 0.000 0.195) 0.564 17.449 ( 1.200 0.000 -1.210) 1.704 19.828 ( 4.993 0.000 2.788) 5.719 19.932 ( 4.685 0.000 -4.196) 6.290 20.121 ( 2.920 0.000 1.636) 3.347 20.130 ( 1.433 0.000 -1.100) 1.806 20.428 ( -6.030 0.000 2.564) 6.553 20.559 ( -4.530 0.000 1.457) 4.759 20.758 ( -1.389 0.000 -1.805) 2.277 20.846 ( -0.603 0.000 -1.519) 1.634 22.131 ( 6.105 0.000 0.961) 6.180 22.139 ( 4.234 0.000 -1.731) 4.574 22.273 ( 5.049 0.000 0.031) 5.049 22.294 ( 5.953 0.000 1.030) 6.042 22.935 ( -8.167 0.000 -1.171) 8.251 23.064 ( -6.159 0.000 -0.590) 6.187 23.185 ( -12.342 0.000 1.772) 12.469 23.262 ( -9.643 0.000 0.689) 9.668 26.802 ( 16.628 0.000 1.328) 16.681 26.847 ( 18.352 0.000 -1.845) 18.445 27.040 ( 25.530 0.000 7.904) 26.725 27.241 ( 29.259 0.000 -16.444) 33.563 28.658 ( -21.114 0.000 1.864) 21.196 28.708 ( -20.833 0.000 -2.147) 20.944 29.047 ( -15.618 0.000 4.133) 16.156 29.106 ( -16.940 0.000 -4.642) 17.565 30.126 ( 16.585 0.000 1.941) 16.698 30.142 ( 14.242 0.000 -1.555) 14.326 30.623 ( 2.721 0.000 5.449) 6.091 30.721 ( 0.940 0.000 -3.332) 3.462 30.940 ( 6.734 0.000 2.282) 7.110 30.941 ( 3.991 0.000 -2.377) 4.645 31.245 ( 7.141 0.000 -2.038) 7.426 31.259 ( 7.969 0.000 -0.142) 7.971 31.522 ( 0.390 0.000 -0.429) 0.580 31.653 ( 4.271 0.000 2.658) 5.031 31.926 ( -6.522 0.000 0.968) 6.594 31.934 ( -8.273 0.000 -1.776) 8.462 32.049 ( -9.963 0.000 1.517) 10.078 32.207 ( -5.289 0.000 2.197) 5.728 32.328 ( 3.854 0.000 7.210) 8.176 32.544 ( -0.526 0.000 -22.629) 22.635 32.843 ( 10.823 0.000 5.214) 12.014 32.944 ( 11.716 0.000 3.746) 12.301 33.113 ( 12.572 0.000 -2.018) 12.733 33.141 ( 10.069 0.000 -9.684) 13.970 33.758 ( -3.802 0.000 0.716) 3.869 33.764 ( -3.335 0.000 4.040) 5.239 33.971 ( -5.489 0.000 -1.707) 5.748 34.013 ( -7.010 0.000 -6.756) 9.735 34.926 ( -2.543 0.000 -0.178) 2.550 35.045 ( -2.608 0.000 -1.083) 2.824 35.190 ( 3.576 0.000 1.527) 3.889 35.247 ( 2.407 0.000 2.438) 3.426 35.581 ( 2.068 0.000 -3.071) 3.703 35.756 ( 5.294 0.000 -1.220) 5.432 35.808 ( 4.511 0.000 -2.412) 5.116 35.868 ( 6.018 0.000 -0.952) 6.093 36.297 ( 2.439 0.000 11.717) 11.968 36.341 ( 1.617 0.000 10.525) 10.648 36.450 ( -0.374 0.000 -7.618) 7.628 36.515 ( 2.841 0.000 -10.005) 10.400 37.460 ( -2.487 0.000 23.978) 24.107 37.819 ( -7.581 0.000 -17.919) 19.456 38.326 ( -23.315 0.000 17.789) 29.326 38.634 ( -17.402 0.000 -8.535) 19.382 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 6.340 0.000 3.956) 7.473 1.764 ( 11.658 0.000 -12.702) 17.241 2.019 ( 7.136 0.000 12.483) 14.379 2.060 ( 5.392 0.000 -7.447) 9.194 2.136 ( 1.616 0.000 -9.517) 9.653 2.242 ( 12.071 0.000 13.412) 18.044 2.350 ( -4.617 0.000 -5.351) 7.067 2.531 ( 1.662 0.000 -6.011) 6.237 2.588 ( 11.168 0.000 -3.542) 11.716 2.677 ( 0.319 0.000 9.160) 9.165 2.795 ( -4.171 0.000 -1.470) 4.423 2.845 ( -7.628 0.000 -6.234) 9.851 2.857 ( 5.542 0.000 0.012) 5.542 2.913 ( -1.231 0.000 3.851) 4.043 2.965 ( -1.736 0.000 1.168) 2.093 3.018 ( 5.689 0.000 -1.334) 5.843 3.150 ( 0.756 0.000 -0.409) 0.860 3.218 ( 4.444 0.000 -1.950) 4.853 3.286 ( 6.419 0.000 -1.930) 6.703 3.335 ( 10.969 0.000 7.772) 13.443 3.338 ( 1.100 0.000 -5.196) 5.311 3.429 ( 1.585 0.000 4.734) 4.992 3.460 ( 4.609 0.000 -4.754) 6.621 3.610 ( 1.141 0.000 -6.053) 6.160 3.646 ( 1.944 0.000 -3.321) 3.848 3.712 ( 9.463 0.000 2.299) 9.738 3.717 ( 2.659 0.000 2.816) 3.874 3.902 ( 2.474 0.000 0.353) 2.499 3.917 ( 3.138 0.000 7.529) 8.157 3.974 ( -3.155 0.000 0.564) 3.205 4.009 ( 2.439 0.000 -0.860) 2.586 4.034 ( 3.278 0.000 -4.856) 5.859 4.146 ( 5.323 0.000 -3.631) 6.444 4.215 ( 6.299 0.000 6.900) 9.342 4.337 ( -0.877 0.000 1.979) 2.165 4.357 ( -0.035 0.000 -3.752) 3.752 4.571 ( 1.711 0.000 -5.248) 5.520 4.584 ( 0.245 0.000 2.218) 2.231 4.606 ( 1.540 0.000 3.096) 3.458 4.658 ( -1.040 0.000 1.267) 1.639 4.909 ( 2.871 0.000 -4.561) 5.389 4.987 ( -6.269 0.000 -1.142) 6.373 5.015 ( 0.788 0.000 4.879) 4.942 5.045 ( -0.664 0.000 3.498) 3.560 5.076 ( 4.001 0.000 10.084) 10.849 5.120 ( 0.567 0.000 -3.262) 3.311 5.231 ( 2.454 0.000 0.724) 2.558 5.254 ( -2.014 0.000 -2.244) 3.015 5.345 ( 1.325 0.000 -3.752) 3.980 5.411 ( -5.566 0.000 2.067) 5.937 5.499 ( -9.042 0.000 -1.171) 9.117 5.530 ( 1.978 0.000 3.643) 4.146 5.627 ( 0.320 0.000 -2.096) 2.121 5.697 ( -1.229 0.000 -7.020) 7.127 5.755 ( -7.316 0.000 4.243) 8.457 5.900 ( -1.671 0.000 2.141) 2.716 5.904 ( -1.407 0.000 -2.632) 2.985 5.956 ( 7.249 0.000 0.284) 7.254 6.164 ( 3.159 0.000 5.251) 6.128 6.230 ( -7.055 0.000 -5.061) 8.683 6.312 ( -6.545 0.000 3.335) 7.346 6.411 ( -2.766 0.000 -1.607) 3.199 6.499 ( -0.276 0.000 -0.175) 0.327 6.560 ( 3.404 0.000 -1.514) 3.726 6.731 ( 9.330 0.000 2.815) 9.745 6.866 ( 4.559 0.000 2.406) 5.155 6.881 ( -1.779 0.000 -2.355) 2.951 6.958 ( 3.452 0.000 -1.900) 3.940 7.093 ( 4.403 0.000 7.090) 8.346 7.114 ( 3.185 0.000 0.199) 3.191 7.253 ( -0.950 0.000 -3.357) 3.489 7.280 ( -6.042 0.000 -2.725) 6.628 7.361 ( 2.241 0.000 2.506) 3.362 7.449 ( -3.359 0.000 -1.635) 3.736 7.486 ( -6.812 0.000 -4.039) 7.920 7.682 ( -3.646 0.000 3.826) 5.285 7.871 ( -13.990 0.000 -1.643) 14.087 8.008 ( -14.812 0.000 -0.687) 14.828 8.255 ( -14.204 0.000 -1.009) 14.239 8.510 ( -11.454 0.000 -0.084) 11.455 8.982 ( 2.910 0.000 -3.010) 4.186 9.025 ( 2.259 0.000 -1.649) 2.797 9.114 ( 1.076 0.000 5.940) 6.036 9.324 ( 4.933 0.000 0.347) 4.945 9.386 ( 1.991 0.000 1.701) 2.618 9.429 ( 0.521 0.000 -2.025) 2.091 9.491 ( 4.331 0.000 0.786) 4.402 9.513 ( 3.438 0.000 1.969) 3.962 9.564 ( 5.736 0.000 -0.332) 5.745 9.668 ( 6.227 0.000 -0.047) 6.227 9.750 ( 0.737 0.000 0.320) 0.804 9.890 ( -4.741 0.000 0.415) 4.759 9.921 ( -10.682 0.000 0.365) 10.688 9.977 ( -8.152 0.000 -0.153) 8.154 10.042 ( -4.094 0.000 -4.930) 6.408 10.142 ( -7.219 0.000 0.464) 7.233 10.243 ( -6.275 0.000 5.102) 8.088 10.262 ( -4.112 0.000 -2.477) 4.801 10.378 ( -8.672 0.000 -3.756) 9.450 10.518 ( -5.312 0.000 1.332) 5.477 10.674 ( -3.391 0.000 1.955) 3.914 10.744 ( -4.429 0.000 -0.566) 4.465 10.965 ( -6.437 0.000 0.479) 6.455 10.980 ( -2.078 0.000 -1.170) 2.385 11.761 ( 3.574 0.000 0.360) 3.592 11.772 ( 6.213 0.000 0.416) 6.227 11.781 ( 5.173 0.000 -0.283) 5.180 11.800 ( 11.328 0.000 -0.243) 11.330 12.125 ( -1.474 0.000 -1.027) 1.796 12.159 ( 3.622 0.000 0.736) 3.696 12.234 ( -3.085 0.000 -0.456) 3.119 12.267 ( -2.162 0.000 2.346) 3.190 12.412 ( -0.850 0.000 1.175) 1.450 12.495 ( 0.924 0.000 -1.204) 1.518 12.499 ( 3.140 0.000 0.500) 3.179 12.569 ( 6.644 0.000 -0.461) 6.660 12.725 ( 4.130 0.000 0.557) 4.168 12.745 ( 1.750 0.000 -1.052) 2.042 12.988 ( -5.086 0.000 -0.927) 5.170 12.994 ( -1.859 0.000 0.231) 1.873 13.323 ( 5.747 0.000 -0.081) 5.748 13.383 ( 4.169 0.000 -0.281) 4.178 13.717 ( -7.950 0.000 -0.191) 7.952 13.730 ( -8.253 0.000 0.234) 8.256 14.078 ( 10.701 0.000 -1.012) 10.749 14.184 ( 13.277 0.000 3.446) 13.717 14.286 ( 1.401 0.000 -0.255) 1.424 14.317 ( -2.300 0.000 0.332) 2.324 14.348 ( -1.352 0.000 -0.554) 1.461 14.437 ( 7.998 0.000 -1.368) 8.114 14.743 ( -4.722 0.000 -1.353) 4.912 14.790 ( -1.710 0.000 1.316) 2.158 15.149 ( 10.070 0.000 0.693) 10.094 15.204 ( 5.544 0.000 -2.501) 6.082 15.433 ( 3.201 0.000 1.099) 3.385 15.472 ( 4.777 0.000 0.800) 4.843 15.593 ( -1.843 0.000 0.528) 1.917 15.600 ( -0.109 0.000 -0.805) 0.813 15.645 ( 0.417 0.000 -0.291) 0.509 15.671 ( 7.273 0.000 -0.002) 7.273 16.000 ( 0.311 0.000 -3.756) 3.769 16.027 ( 8.219 0.000 -3.085) 8.778 16.031 ( 0.323 0.000 3.050) 3.067 16.094 ( 4.081 0.000 2.750) 4.921 16.659 ( -0.499 0.000 1.840) 1.907 16.664 ( -0.752 0.000 -1.314) 1.514 16.749 ( 4.320 0.000 -1.508) 4.576 16.766 ( -1.632 0.000 2.348) 2.859 17.361 ( 0.998 0.000 -0.122) 1.005 17.396 ( 0.212 0.000 0.731) 0.761 17.396 ( 1.223 0.000 0.814) 1.469 17.446 ( 0.717 0.000 -1.933) 2.062 19.960 ( 7.365 0.000 2.947) 7.933 19.961 ( 5.518 0.000 -3.947) 6.784 20.145 ( 2.014 0.000 -1.713) 2.644 20.217 ( 5.400 0.000 2.138) 5.808 20.364 ( -6.506 0.000 3.732) 7.500 20.486 ( -6.442 0.000 1.405) 6.594 20.722 ( -1.425 0.000 -0.637) 1.561 20.808 ( -1.937 0.000 -1.316) 2.342 22.211 ( 6.735 0.000 -0.774) 6.779 22.226 ( 6.977 0.000 -1.239) 7.086 22.388 ( 8.236 0.000 0.723) 8.268 22.410 ( 7.739 0.000 -0.336) 7.746 22.795 ( -7.805 0.000 -0.568) 7.826 22.943 ( -8.663 0.000 -0.288) 8.668 23.017 ( -11.419 0.000 1.777) 11.556 23.101 ( -11.042 0.000 0.032) 11.043 27.115 ( 19.863 0.000 2.424) 20.010 27.119 ( 19.446 0.000 -2.559) 19.614 27.496 ( 24.166 0.000 -11.043) 26.569 27.589 ( 26.123 0.000 14.438) 29.848 28.355 ( -20.471 0.000 -2.637) 20.640 28.355 ( -20.211 0.000 1.964) 20.306 28.749 ( -21.322 0.000 -5.191) 21.945 28.832 ( -17.605 0.000 4.828) 18.255 30.322 ( 10.753 0.000 -1.312) 10.833 30.385 ( 13.207 0.000 2.259) 13.399 30.696 ( 0.271 0.000 -3.026) 3.038 30.700 ( 0.579 0.000 3.579) 3.626 30.998 ( 6.887 0.000 -2.254) 7.247 31.099 ( 9.456 0.000 2.784) 9.857 31.322 ( 2.165 0.000 1.885) 2.871 31.389 ( 8.856 0.000 0.368) 8.863 31.492 ( -2.143 0.000 -1.066) 2.393 31.627 ( -10.023 0.000 0.265) 10.027 31.819 ( -5.514 0.000 0.019) 5.514 31.882 ( -10.976 0.000 1.401) 11.065 31.933 ( 4.877 0.000 0.450) 4.897 32.172 ( 0.244 0.000 -3.668) 3.676 32.344 ( 1.015 0.000 -7.269) 7.339 32.502 ( 2.028 0.000 12.053) 12.222 33.039 ( 6.124 0.000 4.517) 7.610 33.155 ( 9.489 0.000 1.670) 9.635 33.251 ( 12.650 0.000 -2.883) 12.975 33.280 ( 11.944 0.000 -2.578) 12.219 33.693 ( -4.690 0.000 -1.814) 5.028 33.740 ( -2.911 0.000 0.948) 3.062 33.844 ( -8.112 0.000 -0.664) 8.139 33.883 ( -7.871 0.000 4.004) 8.831 34.890 ( -1.387 0.000 -0.323) 1.425 34.993 ( -1.187 0.000 -2.052) 2.370 35.244 ( 2.654 0.000 -1.194) 2.910 35.293 ( 1.837 0.000 -0.427) 1.886 35.592 ( 1.407 0.000 0.642) 1.546 35.819 ( 4.263 0.000 -1.230) 4.437 35.852 ( 3.376 0.000 -0.534) 3.418 35.948 ( 4.873 0.000 -0.296) 4.882 36.367 ( 1.500 0.000 -8.141) 8.278 36.431 ( -0.999 0.000 7.183) 7.252 36.462 ( 5.612 0.000 -11.055) 12.398 36.476 ( 2.419 0.000 6.082) 6.546 37.533 ( -3.073 0.000 -14.608) 14.928 37.613 ( -6.272 0.000 14.931) 16.195 38.178 ( -18.718 0.000 12.752) 22.649 38.257 ( -13.777 0.000 -11.145) 17.721 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 3.286 0.000 2.563) 4.167 1.822 ( 10.471 0.000 -7.683) 12.988 1.994 ( -0.615 0.000 -9.348) 9.368 2.116 ( -8.555 0.000 3.025) 9.074 2.181 ( 7.565 0.000 -1.797) 7.775 2.286 ( 5.970 0.000 4.921) 7.737 2.468 ( 4.008 0.000 -0.849) 4.097 2.482 ( -1.004 0.000 5.618) 5.707 2.628 ( -0.947 0.000 -10.641) 10.683 2.638 ( -2.800 0.000 -9.618) 10.018 2.680 ( -5.294 0.000 -0.763) 5.349 2.853 ( 1.423 0.000 -2.062) 2.505 2.869 ( 2.711 0.000 5.402) 6.045 2.920 ( -5.698 0.000 3.573) 6.725 3.055 ( 6.085 0.000 -5.353) 8.105 3.066 ( 3.837 0.000 3.486) 5.184 3.137 ( 1.005 0.000 -9.252) 9.306 3.259 ( -2.860 0.000 -5.210) 5.943 3.288 ( 7.963 0.000 0.355) 7.971 3.370 ( -2.091 0.000 -16.733) 16.863 3.391 ( 5.091 0.000 5.129) 7.227 3.487 ( 6.032 0.000 -4.149) 7.321 3.529 ( -2.287 0.000 3.363) 4.068 3.542 ( 10.382 0.000 1.267) 10.459 3.621 ( 0.809 0.000 -3.994) 4.075 3.799 ( -8.426 0.000 1.236) 8.516 3.861 ( -1.815 0.000 4.131) 4.512 3.881 ( -2.299 0.000 -0.939) 2.483 3.913 ( 6.518 0.000 -6.939) 9.520 3.954 ( 3.746 0.000 1.815) 4.163 4.025 ( -1.219 0.000 -0.140) 1.227 4.056 ( -1.608 0.000 -0.203) 1.621 4.198 ( 2.733 0.000 -0.103) 2.735 4.328 ( -2.444 0.000 3.720) 4.452 4.378 ( 5.522 0.000 -1.662) 5.767 4.399 ( 2.168 0.000 7.707) 8.007 4.530 ( 3.238 0.000 -4.436) 5.492 4.584 ( 0.486 0.000 4.391) 4.418 4.680 ( -2.125 0.000 3.721) 4.285 4.737 ( 6.229 0.000 3.629) 7.209 4.824 ( -9.823 0.000 -0.768) 9.853 4.916 ( 3.495 0.000 -4.297) 5.539 4.995 ( -4.621 0.000 -4.964) 6.782 5.046 ( -0.365 0.000 -6.109) 6.120 5.079 ( 0.988 0.000 2.061) 2.286 5.136 ( -5.671 0.000 -2.091) 6.044 5.210 ( -3.018 0.000 -5.579) 6.343 5.244 ( 2.515 0.000 0.685) 2.607 5.341 ( 2.656 0.000 3.771) 4.613 5.397 ( -1.661 0.000 4.965) 5.235 5.473 ( 2.580 0.000 4.622) 5.294 5.551 ( -2.725 0.000 1.198) 2.977 5.631 ( 1.558 0.000 0.296) 1.586 5.689 ( -8.483 0.000 6.837) 10.896 5.738 ( 4.928 0.000 8.225) 9.588 5.859 ( -0.131 0.000 -3.104) 3.106 5.901 ( -3.559 0.000 4.943) 6.091 6.081 ( -2.609 0.000 -3.064) 4.024 6.128 ( 7.720 0.000 4.391) 8.881 6.210 ( -4.860 0.000 3.746) 6.136 6.294 ( 0.174 0.000 2.520) 2.526 6.371 ( 0.690 0.000 -1.491) 1.643 6.491 ( 0.099 0.000 -0.196) 0.219 6.576 ( 0.957 0.000 -2.448) 2.629 6.810 ( 1.366 0.000 -5.476) 5.643 6.912 ( -0.000 0.000 -2.159) 2.159 6.959 ( 12.236 0.000 1.686) 12.352 6.992 ( 3.819 0.000 -5.119) 6.387 7.105 ( -3.584 0.000 -5.459) 6.530 7.154 ( -0.373 0.000 -0.259) 0.454 7.175 ( -7.949 0.000 3.013) 8.500 7.188 ( -4.189 0.000 2.656) 4.960 7.343 ( -2.446 0.000 -0.285) 2.463 7.432 ( -0.055 0.000 5.298) 5.298 7.457 ( 5.055 0.000 -2.836) 5.796 7.639 ( -6.301 0.000 1.321) 6.438 7.768 ( 0.350 0.000 0.477) 0.591 7.828 ( -6.571 0.000 1.322) 6.702 8.129 ( -2.282 0.000 3.115) 3.861 8.375 ( -5.293 0.000 0.396) 5.308 8.981 ( 1.572 0.000 -3.708) 4.027 9.029 ( 1.618 0.000 -3.350) 3.720 9.184 ( -0.574 0.000 4.944) 4.977 9.352 ( 0.532 0.000 -1.069) 1.194 9.444 ( 3.797 0.000 -0.869) 3.896 9.479 ( 2.814 0.000 4.235) 5.085 9.554 ( -0.556 0.000 2.716) 2.772 9.570 ( 0.536 0.000 2.090) 2.158 9.640 ( 3.857 0.000 0.249) 3.865 9.731 ( 1.806 0.000 -1.250) 2.197 9.738 ( -7.920 0.000 1.042) 7.988 9.754 ( 0.958 0.000 -1.040) 1.414 9.819 ( -6.570 0.000 -1.360) 6.710 9.833 ( -2.472 0.000 -2.175) 3.292 9.992 ( 1.236 0.000 -0.726) 1.434 10.060 ( -2.838 0.000 -0.741) 2.933 10.202 ( -0.236 0.000 -2.359) 2.371 10.208 ( -7.564 0.000 -3.414) 8.299 10.279 ( 1.521 0.000 5.605) 5.807 10.486 ( -1.744 0.000 2.444) 3.003 10.615 ( -3.315 0.000 -2.783) 4.328 10.682 ( -1.675 0.000 -1.803) 2.461 10.915 ( -1.949 0.000 2.080) 2.851 10.959 ( 0.117 0.000 0.113) 0.163 11.799 ( 1.030 0.000 0.107) 1.036 11.800 ( 0.557 0.000 -0.093) 0.564 11.880 ( 3.803 0.000 0.476) 3.833 11.925 ( 4.863 0.000 -0.521) 4.891 12.106 ( -0.204 0.000 0.348) 0.403 12.190 ( 0.257 0.000 -0.633) 0.684 12.195 ( -1.293 0.000 0.048) 1.294 12.244 ( -2.534 0.000 0.506) 2.584 12.406 ( -1.246 0.000 0.747) 1.453 12.530 ( 0.854 0.000 -0.850) 1.205 12.539 ( 2.740 0.000 1.611) 3.178 12.668 ( 6.225 0.000 -0.447) 6.241 12.734 ( -1.472 0.000 -0.941) 1.746 12.784 ( 3.102 0.000 -0.226) 3.110 12.891 ( -4.618 0.000 -0.184) 4.621 12.963 ( -2.040 0.000 -0.060) 2.041 13.432 ( 7.864 0.000 -0.352) 7.872 13.455 ( 4.357 0.000 -0.090) 4.358 13.603 ( -8.101 0.000 0.155) 8.102 13.607 ( -5.124 0.000 -0.580) 5.157 14.196 ( 4.411 0.000 0.261) 4.419 14.254 ( 0.579 0.000 -0.243) 0.628 14.288 ( -1.389 0.000 -0.115) 1.394 14.307 ( -1.290 0.000 0.023) 1.290 14.466 ( 11.780 0.000 1.546) 11.881 14.548 ( 8.537 0.000 -2.008) 8.770 14.620 ( -9.144 0.000 -0.590) 9.163 14.738 ( -6.697 0.000 0.469) 6.713 15.270 ( 6.705 0.000 -1.252) 6.821 15.288 ( 6.818 0.000 0.246) 6.822 15.414 ( -5.622 0.000 0.388) 5.635 15.442 ( -6.390 0.000 0.116) 6.391 15.622 ( 2.391 0.000 -0.153) 2.396 15.627 ( 4.413 0.000 -1.336) 4.611 15.632 ( -0.427 0.000 0.080) 0.434 15.710 ( -1.760 0.000 -0.033) 1.761 16.018 ( 3.363 0.000 -0.813) 3.460 16.051 ( 0.249 0.000 0.713) 0.755 16.119 ( 5.582 0.000 0.360) 5.593 16.180 ( 0.969 0.000 1.937) 2.166 16.648 ( 0.044 0.000 0.047) 0.065 16.673 ( -0.763 0.000 1.943) 2.088 16.733 ( -3.810 0.000 0.609) 3.858 16.787 ( 2.656 0.000 -1.057) 2.859 17.370 ( 0.328 0.000 -0.723) 0.794 17.406 ( -0.094 0.000 1.237) 1.241 17.413 ( -0.663 0.000 -0.617) 0.905 17.444 ( 2.021 0.000 -0.609) 2.111 20.020 ( 6.710 0.000 -2.878) 7.301 20.097 ( 4.132 0.000 -0.344) 4.146 20.135 ( 0.618 0.000 0.312) 0.693 20.264 ( -3.053 0.000 1.308) 3.322 20.337 ( -2.554 0.000 3.921) 4.679 20.421 ( -4.005 0.000 2.535) 4.739 20.704 ( -0.420 0.000 0.267) 0.498 20.777 ( -0.239 0.000 -0.104) 0.261 22.305 ( 3.968 0.000 0.146) 3.971 22.317 ( 5.225 0.000 -0.956) 5.311 22.504 ( 5.378 0.000 -0.812) 5.439 22.516 ( 6.311 0.000 0.681) 6.348 22.710 ( -2.761 0.000 0.056) 2.762 22.805 ( -6.893 0.000 -2.227) 7.243 22.889 ( -6.753 0.000 2.579) 7.229 22.951 ( -6.628 0.000 0.284) 6.635 27.371 ( 14.490 0.000 -1.550) 14.573 27.413 ( 11.379 0.000 1.717) 11.508 27.735 ( 16.498 0.000 -4.009) 16.978 28.026 ( 2.212 0.000 6.288) 6.666 28.070 ( -7.606 0.000 -2.750) 8.088 28.099 ( -13.306 0.000 1.088) 13.350 28.416 ( -7.695 0.000 2.045) 7.962 28.647 ( -13.134 0.000 6.322) 14.576 30.437 ( 5.209 0.000 -0.609) 5.244 30.553 ( 4.215 0.000 -0.394) 4.233 30.670 ( 0.853 0.000 0.013) 0.853 30.721 ( -1.911 0.000 2.054) 2.806 31.108 ( 9.345 0.000 -0.576) 9.362 31.263 ( 7.715 0.000 0.368) 7.724 31.296 ( -7.867 0.000 2.009) 8.119 31.435 ( -11.001 0.000 -2.135) 11.206 31.509 ( 3.998 0.000 1.490) 4.267 31.554 ( 9.570 0.000 3.596) 10.223 31.734 ( -10.568 0.000 2.471) 10.853 31.759 ( -3.277 0.000 1.765) 3.723 32.005 ( 1.617 0.000 0.634) 1.737 32.121 ( 2.135 0.000 -6.204) 6.561 32.439 ( 7.151 0.000 9.494) 11.886 32.622 ( -5.117 0.000 11.990) 13.036 33.109 ( -0.144 0.000 -0.057) 0.155 33.229 ( 2.516 0.000 -4.854) 5.467 33.418 ( 8.547 0.000 -2.184) 8.822 33.444 ( 8.772 0.000 2.306) 9.070 33.600 ( -0.532 0.000 -2.432) 2.490 33.713 ( -2.242 0.000 1.233) 2.558 33.760 ( -5.482 0.000 4.337) 6.990 33.806 ( -7.621 0.000 4.542) 8.872 34.884 ( 0.142 0.000 1.080) 1.089 34.974 ( 0.847 0.000 -0.717) 1.110 35.241 ( 0.961 0.000 -3.959) 4.074 35.289 ( 0.364 0.000 -3.495) 3.514 35.644 ( 1.328 0.000 4.782) 4.962 35.855 ( 2.015 0.000 -1.193) 2.341 35.901 ( 2.014 0.000 1.868) 2.747 36.007 ( 2.480 0.000 0.491) 2.528 36.315 ( 4.092 0.000 -8.709) 9.622 36.385 ( -6.038 0.000 -5.232) 7.990 36.436 ( 7.478 0.000 -11.708) 13.893 36.489 ( -4.039 0.000 -3.426) 5.296 37.467 ( 8.054 0.000 -2.906) 8.562 37.601 ( -10.585 0.000 6.045) 12.189 38.021 ( -15.602 0.000 6.316) 16.832 38.063 ( 2.816 0.000 -5.111) 5.835 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -13.421 0.000 -0.717) 13.440 1.856 ( -16.925 0.000 -6.402) 18.095 1.921 ( 7.884 0.000 -4.077) 8.876 2.005 ( 12.312 0.000 -2.669) 12.598 2.224 ( -17.763 0.000 -6.080) 18.775 2.352 ( 6.672 0.000 0.541) 6.694 2.374 ( 2.935 0.000 0.657) 3.007 2.512 ( -10.241 0.000 -7.627) 12.769 2.626 ( 8.035 0.000 -2.173) 8.323 2.653 ( 11.371 0.000 8.197) 14.017 2.677 ( 4.333 0.000 -2.431) 4.968 2.742 ( -12.396 0.000 -5.918) 13.736 2.865 ( 0.972 0.000 4.687) 4.786 2.900 ( -1.294 0.000 0.072) 1.296 3.011 ( -3.016 0.000 -8.639) 9.150 3.019 ( -2.264 0.000 -6.470) 6.854 3.131 ( -4.868 0.000 -6.493) 8.115 3.157 ( 4.933 0.000 -0.532) 4.961 3.230 ( -3.520 0.000 2.100) 4.098 3.284 ( -9.660 0.000 3.248) 10.192 3.461 ( -8.777 0.000 -10.283) 13.519 3.476 ( 0.324 0.000 0.924) 0.979 3.491 ( -7.381 0.000 -0.854) 7.430 3.536 ( 0.877 0.000 -4.149) 4.241 3.699 ( -0.128 0.000 -0.207) 0.244 3.719 ( 4.957 0.000 -7.330) 8.849 3.794 ( -5.936 0.000 4.098) 7.213 3.804 ( 4.031 0.000 -0.527) 4.066 3.923 ( -6.884 0.000 -2.213) 7.231 3.928 ( -5.744 0.000 -3.637) 6.799 3.993 ( 6.476 0.000 -3.436) 7.331 4.132 ( 5.780 0.000 5.045) 7.672 4.282 ( -8.165 0.000 1.778) 8.356 4.285 ( 6.369 0.000 4.458) 7.775 4.425 ( 2.195 0.000 -0.589) 2.272 4.457 ( -1.616 0.000 0.634) 1.735 4.517 ( -3.408 0.000 1.685) 3.802 4.669 ( -2.574 0.000 3.305) 4.189 4.682 ( 0.409 0.000 2.257) 2.294 4.744 ( 1.811 0.000 0.747) 1.959 4.797 ( -6.409 0.000 -3.195) 7.161 4.920 ( 3.933 0.000 -1.202) 4.112 4.928 ( 4.836 0.000 2.827) 5.601 4.994 ( -5.371 0.000 -4.175) 6.803 5.001 ( -0.611 0.000 -2.304) 2.384 5.053 ( -0.900 0.000 -5.639) 5.711 5.209 ( 7.505 0.000 0.785) 7.546 5.299 ( 3.842 0.000 -0.016) 3.842 5.388 ( -1.660 0.000 2.945) 3.380 5.441 ( -0.300 0.000 4.784) 4.793 5.526 ( -1.961 0.000 1.972) 2.782 5.609 ( 6.786 0.000 1.458) 6.941 5.633 ( -5.107 0.000 5.776) 7.710 5.728 ( 2.568 0.000 7.600) 8.022 5.824 ( 2.606 0.000 -3.901) 4.692 5.872 ( -2.526 0.000 2.972) 3.900 5.893 ( -3.338 0.000 3.244) 4.654 6.068 ( 3.796 0.000 4.264) 5.709 6.156 ( -3.816 0.000 1.214) 4.004 6.313 ( 5.885 0.000 4.842) 7.621 6.323 ( -1.783 0.000 4.163) 4.529 6.395 ( 2.283 0.000 0.241) 2.295 6.506 ( 1.541 0.000 0.045) 1.541 6.554 ( 2.585 0.000 -1.917) 3.218 6.788 ( 0.749 0.000 -2.893) 2.988 6.842 ( -3.657 0.000 -3.735) 5.227 6.896 ( -8.059 0.000 -5.653) 9.844 6.900 ( -3.132 0.000 -8.484) 9.044 7.058 ( -3.080 0.000 -0.101) 3.082 7.084 ( -8.738 0.000 -0.176) 8.739 7.214 ( 7.901 0.000 1.729) 8.088 7.263 ( 9.503 0.000 2.074) 9.727 7.356 ( 0.942 0.000 1.442) 1.722 7.485 ( 3.076 0.000 -3.473) 4.640 7.510 ( -9.546 0.000 -0.079) 9.546 7.531 ( 4.691 0.000 5.238) 7.031 7.825 ( 4.876 0.000 2.421) 5.444 7.874 ( 7.753 0.000 1.367) 7.873 8.220 ( 5.761 0.000 5.438) 7.922 8.362 ( 3.429 0.000 -1.026) 3.579 8.956 ( 0.723 0.000 -3.168) 3.250 8.997 ( -0.081 0.000 -4.031) 4.031 9.195 ( -4.359 0.000 4.158) 6.024 9.341 ( -0.145 0.000 -1.292) 1.300 9.489 ( -6.041 0.000 3.784) 7.128 9.495 ( -1.012 0.000 0.778) 1.276 9.527 ( -1.349 0.000 2.747) 3.060 9.576 ( -3.299 0.000 2.221) 3.977 9.655 ( -2.841 0.000 0.846) 2.964 9.680 ( -4.196 0.000 -4.242) 5.966 9.753 ( 2.436 0.000 -0.210) 2.445 9.759 ( 7.294 0.000 1.121) 7.379 9.829 ( 4.062 0.000 -1.392) 4.294 9.858 ( 9.602 0.000 -0.196) 9.604 10.031 ( 3.575 0.000 0.059) 3.576 10.032 ( -2.395 0.000 -1.069) 2.623 10.085 ( -0.905 0.000 -2.710) 2.857 10.209 ( 4.299 0.000 -1.538) 4.566 10.397 ( 5.761 0.000 4.298) 7.187 10.511 ( 0.228 0.000 1.913) 1.926 10.540 ( 0.802 0.000 -3.520) 3.611 10.660 ( 2.410 0.000 -2.410) 3.408 10.931 ( 0.788 0.000 1.612) 1.794 10.980 ( 1.870 0.000 0.664) 1.985 11.793 ( -1.179 0.000 -0.155) 1.189 11.797 ( -1.367 0.000 0.061) 1.368 11.891 ( -3.518 0.000 0.613) 3.571 11.925 ( -4.224 0.000 -0.502) 4.254 12.127 ( 1.609 0.000 1.127) 1.964 12.171 ( -0.433 0.000 -1.777) 1.829 12.205 ( 2.018 0.000 0.586) 2.101 12.209 ( -2.548 0.000 0.112) 2.550 12.401 ( -0.192 0.000 1.002) 1.020 12.509 ( -1.345 0.000 -1.621) 2.106 12.570 ( -1.128 0.000 2.271) 2.535 12.675 ( -4.387 0.000 -0.679) 4.439 12.742 ( 2.660 0.000 0.061) 2.661 12.757 ( -4.167 0.000 -1.514) 4.434 12.924 ( 6.030 0.000 1.125) 6.134 12.945 ( 1.032 0.000 -1.021) 1.452 13.442 ( -5.045 0.000 -0.624) 5.083 13.444 ( -7.472 0.000 0.167) 7.474 13.588 ( 7.634 0.000 -0.393) 7.644 13.611 ( 5.952 0.000 -0.265) 5.958 14.206 ( -2.925 0.000 0.957) 3.077 14.261 ( -4.500 0.000 -1.025) 4.615 14.276 ( 1.800 0.000 -0.162) 1.807 14.290 ( 1.255 0.000 -0.091) 1.258 14.451 ( -10.359 0.000 0.557) 10.374 14.588 ( -7.985 0.000 -0.374) 7.994 14.663 ( 5.538 0.000 -2.584) 6.112 14.663 ( 10.054 0.000 1.601) 10.181 15.275 ( -8.507 0.000 -0.745) 8.539 15.329 ( -4.860 0.000 0.928) 4.948 15.395 ( 3.664 0.000 0.138) 3.667 15.398 ( 6.870 0.000 -1.156) 6.967 15.581 ( -2.897 0.000 -0.715) 2.984 15.655 ( -3.801 0.000 0.027) 3.801 15.669 ( 2.340 0.000 -1.841) 2.977 15.676 ( 0.964 0.000 0.907) 1.324 16.027 ( -4.203 0.000 -0.281) 4.212 16.046 ( 0.726 0.000 0.555) 0.914 16.154 ( -5.415 0.000 0.097) 5.416 16.210 ( 3.372 0.000 3.104) 4.583 16.661 ( -2.750 0.000 1.218) 3.008 16.682 ( 3.405 0.000 1.680) 3.797 16.702 ( -0.140 0.000 -0.625) 0.641 16.809 ( 1.072 0.000 -0.318) 1.119 17.355 ( -1.052 0.000 -0.510) 1.169 17.384 ( -1.196 0.000 -1.181) 1.681 17.420 ( -0.130 0.000 1.024) 1.032 17.468 ( 1.163 0.000 -0.212) 1.183 20.008 ( -7.061 0.000 -2.071) 7.358 20.079 ( 2.822 0.000 -1.363) 3.134 20.220 ( -2.261 0.000 -0.483) 2.312 20.232 ( 3.731 0.000 1.946) 4.208 20.320 ( -4.446 0.000 4.122) 6.063 20.420 ( -0.265 0.000 2.908) 2.920 20.721 ( 1.841 0.000 0.872) 2.037 20.799 ( 2.399 0.000 0.050) 2.399 22.291 ( -4.533 0.000 -0.492) 4.559 22.326 ( -3.497 0.000 -0.469) 3.528 22.522 ( -7.927 0.000 0.342) 7.934 22.547 ( -4.998 0.000 0.744) 5.053 22.697 ( 5.705 0.000 -0.096) 5.706 22.756 ( 6.851 0.000 -2.714) 7.369 22.900 ( 4.297 0.000 1.926) 4.709 22.963 ( 6.641 0.000 0.602) 6.668 27.353 ( -16.260 0.000 -0.900) 16.285 27.439 ( -7.851 0.000 1.185) 7.940 27.727 ( -26.215 0.000 -4.340) 26.572 27.939 ( 10.786 0.000 4.423) 11.658 28.046 ( 9.037 0.000 -0.886) 9.080 28.163 ( 16.384 0.000 -0.434) 16.390 28.599 ( -0.657 0.000 5.208) 5.249 28.649 ( 15.332 0.000 7.580) 17.104 30.461 ( -2.330 0.000 0.597) 2.405 30.487 ( -7.607 0.000 -1.922) 7.846 30.691 ( -3.764 0.000 0.737) 3.835 30.734 ( 3.091 0.000 1.430) 3.406 31.183 ( -7.664 0.000 1.437) 7.798 31.194 ( -11.541 0.000 -1.637) 11.656 31.278 ( 10.215 0.000 2.973) 10.639 31.408 ( 7.832 0.000 -3.323) 8.508 31.585 ( 0.189 0.000 4.542) 4.546 31.588 ( -9.230 0.000 0.998) 9.284 31.765 ( 8.668 0.000 5.309) 10.164 31.771 ( 2.537 0.000 1.780) 3.099 31.987 ( -4.309 0.000 0.635) 4.356 32.118 ( 2.011 0.000 0.189) 2.019 32.595 ( -12.172 0.000 7.231) 14.158 32.730 ( 11.365 0.000 14.304) 18.270 33.064 ( -4.180 0.000 -1.083) 4.318 33.132 ( -5.755 0.000 -5.824) 8.188 33.448 ( -2.106 0.000 -2.054) 2.942 33.479 ( -2.078 0.000 -1.842) 2.777 33.652 ( -5.996 0.000 0.087) 5.996 33.660 ( 2.020 0.000 6.303) 6.619 33.834 ( 9.297 0.000 4.120) 10.169 33.835 ( 5.262 0.000 4.201) 6.734 34.915 ( 0.551 0.000 3.008) 3.058 34.996 ( 1.437 0.000 0.740) 1.616 35.195 ( -0.323 0.000 -4.669) 4.680 35.228 ( -1.472 0.000 -5.461) 5.656 35.734 ( 1.081 0.000 7.555) 7.632 35.854 ( -0.524 0.000 -1.041) 1.166 35.954 ( 0.658 0.000 3.589) 3.648 36.034 ( -0.194 0.000 1.112) 1.129 36.183 ( -6.763 0.000 -10.060) 12.122 36.288 ( 5.657 0.000 -10.251) 11.708 36.307 ( -7.223 0.000 -9.840) 12.206 36.418 ( 8.394 0.000 -13.919) 16.254 37.430 ( -14.778 0.000 -0.651) 14.793 37.671 ( 14.868 0.000 4.383) 15.500 37.835 ( -12.955 0.000 -0.149) 12.956 38.205 ( 15.935 0.000 1.041) 15.968 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -20.182 0.000 -2.314) 20.314 1.426 ( -24.471 0.000 -9.074) 26.099 1.896 ( -13.367 0.000 -0.869) 13.395 2.073 ( 5.605 0.000 -1.302) 5.754 2.191 ( 6.756 0.000 2.470) 7.193 2.214 ( -11.538 0.000 -7.436) 13.726 2.238 ( -3.273 0.000 -2.533) 4.139 2.393 ( -21.181 0.000 -11.804) 24.248 2.564 ( -3.075 0.000 -4.012) 5.055 2.572 ( -12.794 0.000 -10.859) 16.781 2.643 ( 12.754 0.000 1.701) 12.867 2.732 ( -2.194 0.000 -6.574) 6.930 2.906 ( 1.415 0.000 1.142) 1.818 2.917 ( 4.322 0.000 0.798) 4.395 2.936 ( -8.762 0.000 -6.416) 10.860 3.018 ( -5.619 0.000 10.182) 11.630 3.058 ( 1.339 0.000 2.735) 3.045 3.157 ( -8.206 0.000 5.424) 9.836 3.203 ( -0.854 0.000 4.257) 4.342 3.209 ( -2.023 0.000 -2.675) 3.353 3.269 ( 4.777 0.000 5.549) 7.322 3.407 ( -0.733 0.000 -4.835) 4.890 3.461 ( -1.912 0.000 1.283) 2.303 3.487 ( 1.015 0.000 -2.809) 2.987 3.566 ( -9.453 0.000 -6.303) 11.362 3.685 ( -1.661 0.000 -7.364) 7.550 3.767 ( -0.797 0.000 -4.056) 4.133 3.802 ( -2.101 0.000 -1.195) 2.417 3.856 ( -2.586 0.000 10.561) 10.873 3.909 ( 2.816 0.000 -0.007) 2.816 4.021 ( -2.301 0.000 -0.246) 2.314 4.157 ( -3.511 0.000 -4.445) 5.665 4.244 ( -1.133 0.000 3.550) 3.726 4.369 ( -4.571 0.000 -4.143) 6.169 4.406 ( -1.827 0.000 1.196) 2.183 4.457 ( 6.165 0.000 4.641) 7.716 4.480 ( -9.364 0.000 4.870) 10.555 4.577 ( -8.756 0.000 -0.479) 8.769 4.653 ( -5.631 0.000 -3.282) 6.518 4.769 ( 7.385 0.000 3.661) 8.243 4.809 ( 0.719 0.000 1.190) 1.390 4.892 ( 1.999 0.000 1.071) 2.268 4.926 ( -1.494 0.000 -1.047) 1.824 4.968 ( -1.221 0.000 -2.898) 3.145 5.043 ( 8.180 0.000 -8.244) 11.613 5.096 ( 5.977 0.000 5.591) 8.184 5.327 ( 2.329 0.000 2.786) 3.631 5.334 ( 1.510 0.000 -2.750) 3.137 5.417 ( 0.273 0.000 4.567) 4.575 5.471 ( 1.927 0.000 -0.868) 2.113 5.556 ( -1.251 0.000 6.012) 6.140 5.612 ( -4.189 0.000 1.455) 4.435 5.677 ( 3.611 0.000 -0.372) 3.630 5.785 ( -7.266 0.000 -0.529) 7.285 5.832 ( 4.532 0.000 -5.332) 6.998 5.851 ( 2.862 0.000 5.382) 6.096 5.929 ( 3.284 0.000 4.151) 5.293 6.151 ( 1.425 0.000 0.697) 1.587 6.221 ( 6.220 0.000 3.667) 7.220 6.331 ( -4.097 0.000 4.985) 6.452 6.370 ( 1.072 0.000 -0.844) 1.364 6.414 ( -2.109 0.000 0.671) 2.214 6.514 ( 0.491 0.000 -2.370) 2.421 6.615 ( -0.818 0.000 3.555) 3.648 6.728 ( -8.040 0.000 -5.594) 9.795 6.746 ( 0.657 0.000 2.740) 2.818 6.749 ( -2.790 0.000 -1.967) 3.413 6.842 ( 5.800 0.000 -4.531) 7.360 6.979 ( -3.693 0.000 -0.022) 3.693 7.024 ( -1.307 0.000 0.838) 1.553 7.260 ( -1.677 0.000 -0.961) 1.933 7.363 ( -7.867 0.000 0.756) 7.903 7.399 ( 3.259 0.000 -0.285) 3.271 7.435 ( 6.743 0.000 -1.900) 7.005 7.472 ( 1.927 0.000 -3.081) 3.634 7.669 ( 4.952 0.000 3.478) 6.051 8.000 ( 14.090 0.000 2.739) 14.353 8.029 ( 12.501 0.000 -2.101) 12.676 8.405 ( 10.620 0.000 4.650) 11.594 8.441 ( 10.438 0.000 -3.901) 11.143 8.946 ( 1.399 0.000 -1.094) 1.776 8.949 ( -0.399 0.000 -3.067) 3.093 9.173 ( -4.417 0.000 5.097) 6.745 9.311 ( -2.182 0.000 -1.004) 2.402 9.435 ( -5.323 0.000 2.795) 6.012 9.452 ( -3.337 0.000 0.674) 3.405 9.535 ( -3.976 0.000 -0.518) 4.010 9.561 ( -1.426 0.000 2.669) 3.026 9.562 ( -4.521 0.000 -1.290) 4.702 9.604 ( -4.634 0.000 0.755) 4.695 9.783 ( -0.709 0.000 1.424) 1.591 9.856 ( 4.849 0.000 -3.362) 5.900 9.923 ( -4.379 0.000 -3.516) 5.616 9.947 ( 9.063 0.000 3.610) 9.755 10.038 ( 11.136 0.000 0.871) 11.170 10.105 ( 7.746 0.000 -2.214) 8.057 10.150 ( 9.895 0.000 -2.263) 10.150 10.296 ( 7.700 0.000 -0.156) 7.702 10.508 ( 4.405 0.000 -3.090) 5.381 10.534 ( 6.505 0.000 2.674) 7.033 10.618 ( 5.724 0.000 3.492) 6.705 10.710 ( 6.668 0.000 -1.623) 6.863 10.967 ( 2.741 0.000 -0.260) 2.753 11.028 ( 3.539 0.000 0.470) 3.570 11.759 ( -3.245 0.000 0.061) 3.245 11.761 ( -3.685 0.000 0.422) 3.709 11.790 ( -9.249 0.000 -0.075) 9.249 11.798 ( -10.444 0.000 -0.317) 10.449 12.135 ( -3.323 0.000 -0.994) 3.469 12.168 ( 1.748 0.000 0.790) 1.918 12.175 ( -0.070 0.000 0.366) 0.372 12.253 ( 2.819 0.000 0.545) 2.871 12.429 ( 1.373 0.000 1.603) 2.111 12.466 ( -1.891 0.000 -0.926) 2.106 12.581 ( -0.553 0.000 2.425) 2.488 12.585 ( -5.968 0.000 -0.243) 5.973 12.660 ( -5.360 0.000 -2.359) 5.857 12.750 ( -1.226 0.000 -0.487) 1.319 12.971 ( 3.095 0.000 -0.720) 3.177 13.015 ( 3.406 0.000 0.123) 3.408 13.337 ( -5.884 0.000 0.641) 5.919 13.359 ( -3.278 0.000 -1.182) 3.484 13.712 ( 8.529 0.000 -0.378) 8.537 13.724 ( 8.074 0.000 0.214) 8.077 14.081 ( -15.531 0.000 -1.235) 15.580 14.163 ( -4.815 0.000 2.755) 5.548 14.307 ( 1.077 0.000 0.035) 1.077 14.317 ( 1.553 0.000 0.751) 1.725 14.363 ( -1.155 0.000 0.289) 1.190 14.440 ( -8.002 0.000 -1.576) 8.155 14.721 ( 3.805 0.000 -1.456) 4.074 14.803 ( 4.594 0.000 1.150) 4.736 15.122 ( -9.242 0.000 -0.618) 9.263 15.248 ( -5.379 0.000 -0.968) 5.466 15.410 ( -3.431 0.000 0.674) 3.497 15.434 ( -4.145 0.000 -0.018) 4.145 15.569 ( 2.968 0.000 -0.224) 2.976 15.618 ( 0.056 0.000 -0.136) 0.147 15.661 ( -2.242 0.000 -0.586) 2.318 15.664 ( -2.804 0.000 0.280) 2.818 15.928 ( -6.221 0.000 -1.256) 6.346 16.041 ( -7.206 0.000 -0.808) 7.251 16.096 ( 5.096 0.000 1.688) 5.368 16.279 ( 0.525 0.000 3.034) 3.079 16.643 ( -1.089 0.000 0.834) 1.372 16.682 ( -1.421 0.000 -1.231) 1.880 16.772 ( 1.453 0.000 1.998) 2.471 16.831 ( 3.972 0.000 2.742) 4.827 17.335 ( -1.004 0.000 -0.028) 1.004 17.359 ( -0.312 0.000 -0.839) 0.895 17.419 ( -1.053 0.000 0.583) 1.203 17.472 ( -0.052 0.000 -0.525) 0.528 19.876 ( -7.157 0.000 -0.929) 7.217 20.071 ( -1.483 0.000 -0.377) 1.530 20.159 ( -4.858 0.000 -0.865) 4.934 20.262 ( -2.868 0.000 2.721) 3.953 20.352 ( 2.172 0.000 4.164) 4.696 20.474 ( 3.318 0.000 1.498) 3.640 20.773 ( 3.026 0.000 1.098) 3.219 20.833 ( 2.453 0.000 -1.088) 2.684 22.189 ( -6.548 0.000 -1.718) 6.770 22.211 ( -9.216 0.000 -1.317) 9.309 22.386 ( -7.705 0.000 0.283) 7.710 22.414 ( -9.508 0.000 0.037) 9.508 22.846 ( 9.417 0.000 1.800) 9.587 22.880 ( 11.474 0.000 -2.660) 11.778 23.028 ( 8.224 0.000 1.963) 8.455 23.106 ( 9.958 0.000 -0.020) 9.958 27.052 ( -19.191 0.000 -0.508) 19.198 27.218 ( -19.660 0.000 1.275) 19.701 27.275 ( -25.757 0.000 -2.486) 25.877 28.129 ( 1.443 0.000 12.339) 12.423 28.288 ( 20.432 0.000 -0.787) 20.447 28.445 ( 18.895 0.000 0.363) 18.898 28.737 ( 12.730 0.000 0.449) 12.738 28.948 ( 15.758 0.000 2.715) 15.990 30.311 ( -12.552 0.000 -1.100) 12.600 30.378 ( -9.706 0.000 1.476) 9.818 30.623 ( -5.695 0.000 -0.072) 5.695 30.773 ( 0.559 0.000 0.669) 0.872 31.003 ( -9.899 0.000 -1.814) 10.064 31.093 ( -6.207 0.000 1.884) 6.487 31.414 ( -7.916 0.000 -0.265) 7.920 31.490 ( 9.748 0.000 4.847) 10.886 31.518 ( 4.247 0.000 -2.200) 4.783 31.619 ( -1.966 0.000 6.070) 6.380 31.869 ( 7.085 0.000 1.623) 7.268 31.901 ( -0.807 0.000 -0.943) 1.241 31.943 ( 2.774 0.000 2.457) 3.706 32.193 ( 2.187 0.000 7.439) 7.754 32.451 ( -11.713 0.000 3.184) 12.138 32.951 ( -7.561 0.000 -2.824) 8.071 32.952 ( -9.807 0.000 0.453) 9.817 33.035 ( 4.124 0.000 7.591) 8.639 33.333 ( -10.211 0.000 -0.163) 10.212 33.403 ( -2.172 0.000 -1.654) 2.730 33.588 ( 0.328 0.000 -2.525) 2.546 33.859 ( 11.614 0.000 12.281) 16.903 34.001 ( 8.913 0.000 3.708) 9.654 34.049 ( 11.231 0.000 3.324) 11.713 34.957 ( -0.327 0.000 3.739) 3.753 35.022 ( 0.218 0.000 1.305) 1.323 35.125 ( -2.365 0.000 -6.038) 6.485 35.133 ( -0.763 0.000 -5.911) 5.960 35.815 ( -2.692 0.000 -1.297) 2.988 35.846 ( 0.458 0.000 9.960) 9.971 35.978 ( -6.855 0.000 -4.908) 8.431 36.004 ( -0.967 0.000 6.016) 6.093 36.031 ( -1.033 0.000 -2.569) 2.769 36.109 ( -4.420 0.000 -6.642) 7.979 36.236 ( 4.349 0.000 -13.911) 14.575 36.364 ( 8.049 0.000 -18.999) 20.633 37.158 ( -16.472 0.000 -2.642) 16.683 37.618 ( -11.381 0.000 -4.237) 12.144 37.969 ( 15.454 0.000 4.596) 16.123 38.506 ( 19.316 0.000 1.401) 19.367 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -29.686 0.000 -1.720) 29.736 0.950 ( -27.133 0.000 -0.222) 27.134 1.680 ( -46.316 0.000 -5.086) 46.595 1.768 ( -6.100 0.000 1.199) 6.217 1.906 ( -6.010 0.000 -5.654) 8.251 2.133 ( -11.048 0.000 6.234) 12.685 2.280 ( -4.490 0.000 -7.234) 8.515 2.282 ( 1.848 0.000 1.369) 2.299 2.380 ( 10.648 0.000 6.414) 12.431 2.511 ( -0.012 0.000 -4.332) 4.332 2.647 ( 0.265 0.000 -4.660) 4.668 2.765 ( 0.120 0.000 1.056) 1.062 2.789 ( -5.633 0.000 -2.265) 6.071 2.888 ( -2.189 0.000 5.740) 6.143 2.983 ( -0.975 0.000 0.992) 1.391 3.064 ( -1.002 0.000 -1.894) 2.143 3.086 ( 6.741 0.000 3.361) 7.533 3.134 ( 0.174 0.000 -1.042) 1.056 3.152 ( 6.851 0.000 -10.165) 12.258 3.254 ( -3.522 0.000 3.270) 4.806 3.282 ( -4.839 0.000 -1.232) 4.993 3.321 ( -0.681 0.000 1.392) 1.550 3.454 ( -2.263 0.000 -0.133) 2.267 3.494 ( -9.114 0.000 -2.556) 9.465 3.545 ( 0.931 0.000 4.854) 4.943 3.580 ( 5.850 0.000 3.821) 6.988 3.718 ( -6.485 0.000 -3.150) 7.210 3.801 ( 3.753 0.000 -0.156) 3.756 3.852 ( -7.315 0.000 -5.103) 8.919 3.918 ( -5.016 0.000 6.646) 8.326 3.975 ( -3.032 0.000 3.914) 4.951 4.076 ( 1.655 0.000 -7.855) 8.028 4.198 ( -6.629 0.000 4.953) 8.275 4.229 ( -7.070 0.000 -4.725) 8.503 4.336 ( -6.031 0.000 -1.747) 6.279 4.432 ( -3.084 0.000 10.084) 10.545 4.457 ( -5.532 0.000 0.082) 5.532 4.531 ( -5.339 0.000 -1.581) 5.568 4.678 ( 8.474 0.000 13.070) 15.576 4.840 ( 1.935 0.000 -1.291) 2.326 4.884 ( -1.962 0.000 -2.215) 2.959 4.896 ( 4.978 0.000 -7.821) 9.271 4.954 ( 1.904 0.000 1.579) 2.473 4.954 ( 3.784 0.000 0.349) 3.800 5.046 ( 6.356 0.000 -7.466) 9.806 5.252 ( 1.789 0.000 9.359) 9.529 5.282 ( -1.039 0.000 -5.060) 5.166 5.330 ( -6.167 0.000 0.313) 6.175 5.397 ( -1.835 0.000 -1.686) 2.491 5.505 ( 4.171 0.000 -1.794) 4.541 5.552 ( -3.955 0.000 -0.705) 4.017 5.619 ( 1.393 0.000 3.556) 3.819 5.680 ( -6.518 0.000 1.178) 6.624 5.757 ( 4.802 0.000 1.510) 5.034 5.823 ( 4.055 0.000 -8.382) 9.312 5.933 ( 2.228 0.000 -0.196) 2.237 6.035 ( 2.140 0.000 7.381) 7.685 6.167 ( 2.216 0.000 -3.951) 4.530 6.271 ( 0.739 0.000 -4.970) 5.024 6.310 ( -5.264 0.000 4.447) 6.891 6.319 ( -3.988 0.000 3.071) 5.033 6.453 ( -2.303 0.000 -6.281) 6.690 6.469 ( 4.574 0.000 2.704) 5.314 6.591 ( -6.151 0.000 3.169) 6.920 6.619 ( -1.588 0.000 1.591) 2.247 6.737 ( 2.272 0.000 0.683) 2.373 6.817 ( 2.302 0.000 0.927) 2.481 6.907 ( 4.957 0.000 -0.806) 5.022 6.948 ( -2.045 0.000 1.248) 2.396 7.031 ( 0.358 0.000 2.491) 2.517 7.235 ( 0.255 0.000 -0.792) 0.832 7.246 ( -5.756 0.000 -1.548) 5.961 7.407 ( -1.292 0.000 -2.827) 3.108 7.430 ( 3.416 0.000 -1.356) 3.675 7.508 ( 1.572 0.000 -2.497) 2.950 7.730 ( -0.685 0.000 1.559) 1.703 8.236 ( 17.419 0.000 -2.597) 17.611 8.298 ( 20.120 0.000 1.184) 20.155 8.607 ( 15.876 0.000 -3.632) 16.286 8.636 ( 12.794 0.000 2.232) 12.987 8.927 ( 0.960 0.000 -1.026) 1.405 8.973 ( 2.097 0.000 0.478) 2.151 9.180 ( -1.982 0.000 4.660) 5.064 9.260 ( -3.525 0.000 0.685) 3.591 9.385 ( -3.444 0.000 0.710) 3.516 9.405 ( -3.367 0.000 -0.788) 3.458 9.441 ( -3.775 0.000 -3.531) 5.169 9.510 ( -5.699 0.000 0.946) 5.777 9.518 ( -3.175 0.000 1.660) 3.583 9.560 ( -3.031 0.000 1.099) 3.224 9.747 ( -7.195 0.000 2.478) 7.610 9.838 ( -2.405 0.000 -0.873) 2.559 9.859 ( 0.092 0.000 -3.394) 3.396 10.103 ( 5.695 0.000 2.712) 6.308 10.199 ( 6.105 0.000 -1.836) 6.375 10.223 ( 11.367 0.000 0.418) 11.374 10.297 ( 11.291 0.000 -2.471) 11.558 10.447 ( 11.725 0.000 0.049) 11.725 10.602 ( 10.712 0.000 -1.513) 10.818 10.666 ( 7.977 0.000 1.242) 8.073 10.771 ( 8.347 0.000 3.266) 8.963 10.800 ( 5.647 0.000 -0.838) 5.709 11.004 ( 3.254 0.000 -1.803) 3.720 11.105 ( 5.534 0.000 0.546) 5.561 11.591 ( -14.443 0.000 0.031) 14.443 11.611 ( -12.464 0.000 -0.279) 12.468 11.709 ( -3.206 0.000 -0.120) 3.208 11.724 ( -2.692 0.000 0.910) 2.841 12.057 ( -5.661 0.000 0.450) 5.679 12.183 ( 0.062 0.000 -0.789) 0.791 12.227 ( 4.850 0.000 1.331) 5.030 12.298 ( 2.348 0.000 0.289) 2.366 12.437 ( -1.518 0.000 0.495) 1.596 12.456 ( -0.312 0.000 1.065) 1.110 12.500 ( -4.276 0.000 -0.287) 4.286 12.547 ( -4.981 0.000 -2.721) 5.676 12.601 ( -0.607 0.000 1.995) 2.086 12.703 ( -3.608 0.000 -0.659) 3.668 13.010 ( 2.090 0.000 0.177) 2.097 13.022 ( -1.261 0.000 -0.801) 1.494 13.282 ( -2.601 0.000 0.888) 2.749 13.329 ( 1.209 0.000 -1.263) 1.749 13.802 ( -16.404 0.000 0.602) 16.415 13.848 ( 9.366 0.000 -0.195) 9.368 13.867 ( 8.304 0.000 -0.302) 8.310 14.130 ( -4.394 0.000 4.268) 6.126 14.286 ( -4.288 0.000 -2.657) 5.045 14.301 ( -3.522 0.000 0.222) 3.529 14.365 ( 1.577 0.000 1.002) 1.868 14.414 ( 5.805 0.000 -0.349) 5.816 14.745 ( 0.830 0.000 -0.604) 1.027 14.788 ( -6.910 0.000 -0.381) 6.920 15.004 ( -5.482 0.000 0.363) 5.494 15.116 ( -9.031 0.000 -3.012) 9.520 15.311 ( -11.053 0.000 0.115) 11.053 15.318 ( -8.852 0.000 0.646) 8.876 15.537 ( -11.997 0.000 1.494) 12.089 15.582 ( -0.294 0.000 -1.402) 1.432 15.668 ( 3.556 0.000 -0.102) 3.557 15.676 ( 4.572 0.000 0.085) 4.573 15.847 ( -2.112 0.000 -0.250) 2.127 15.962 ( -0.500 0.000 -1.386) 1.473 16.209 ( 3.289 0.000 1.801) 3.750 16.298 ( 2.518 0.000 -1.525) 2.943 16.627 ( -2.522 0.000 -0.148) 2.526 16.636 ( -2.449 0.000 -0.283) 2.465 16.750 ( -3.541 0.000 0.491) 3.575 17.001 ( 9.356 0.000 3.449) 9.972 17.324 ( -0.566 0.000 0.355) 0.668 17.355 ( 0.794 0.000 -0.763) 1.101 17.406 ( -0.973 0.000 0.291) 1.015 17.461 ( -0.613 0.000 -0.359) 0.710 19.779 ( -4.883 0.000 0.862) 4.958 20.041 ( -1.720 0.000 -2.205) 2.796 20.076 ( -4.213 0.000 1.184) 4.377 20.225 ( -4.859 0.000 1.770) 5.171 20.442 ( 3.097 0.000 3.329) 4.547 20.535 ( 2.642 0.000 0.686) 2.730 20.821 ( 1.624 0.000 -0.057) 1.625 20.850 ( 1.862 0.000 -1.729) 2.541 22.049 ( -8.485 0.000 -1.251) 8.576 22.066 ( -5.036 0.000 -2.543) 5.642 22.284 ( -7.533 0.000 0.570) 7.554 22.300 ( -4.529 0.000 0.700) 4.583 23.006 ( 7.701 0.000 2.911) 8.233 23.037 ( 12.745 0.000 -3.751) 13.286 23.179 ( 7.442 0.000 3.122) 8.070 23.246 ( 8.065 0.000 -0.622) 8.089 26.778 ( -15.329 0.000 0.118) 15.330 26.890 ( -21.113 0.000 0.167) 21.113 26.910 ( -19.891 0.000 -0.579) 19.899 28.269 ( -0.156 0.000 7.653) 7.654 28.613 ( 21.046 0.000 0.032) 21.046 28.738 ( 19.713 0.000 -1.961) 19.811 28.951 ( 14.086 0.000 -1.095) 14.128 29.210 ( 16.101 0.000 0.209) 16.103 30.080 ( -15.817 0.000 -0.383) 15.822 30.205 ( -14.123 0.000 1.190) 14.173 30.504 ( -9.427 0.000 -0.020) 9.427 30.777 ( -0.229 0.000 0.114) 0.256 30.863 ( -5.738 0.000 -0.780) 5.791 31.030 ( -4.479 0.000 1.458) 4.710 31.269 ( -9.366 0.000 0.359) 9.373 31.547 ( 0.724 0.000 -1.276) 1.467 31.552 ( -2.201 0.000 -0.091) 2.203 31.803 ( 11.591 0.000 8.760) 14.529 31.880 ( 0.802 0.000 -0.815) 1.143 31.973 ( 0.582 0.000 -2.073) 2.153 32.014 ( 8.944 0.000 1.200) 9.024 32.337 ( 4.238 0.000 4.833) 6.428 32.377 ( -1.086 0.000 2.208) 2.461 32.787 ( -8.557 0.000 -1.643) 8.713 32.787 ( -12.434 0.000 2.202) 12.627 33.008 ( -11.486 0.000 0.883) 11.520 33.148 ( -12.326 0.000 -0.786) 12.351 33.438 ( 5.912 0.000 -0.103) 5.913 33.601 ( 3.175 0.000 -0.721) 3.256 34.166 ( 8.295 0.000 0.554) 8.313 34.219 ( 10.437 0.000 1.619) 10.562 34.279 ( 20.282 0.000 6.796) 21.390 34.984 ( -1.369 0.000 3.318) 3.589 35.000 ( -2.840 0.000 -8.542) 9.002 35.032 ( -1.401 0.000 2.462) 2.833 35.045 ( -0.532 0.000 -9.458) 9.473 35.747 ( -3.033 0.000 -2.220) 3.759 35.842 ( -4.801 0.000 -2.731) 5.523 35.930 ( -0.495 0.000 -3.426) 3.461 35.965 ( -2.522 0.000 -1.306) 2.840 36.045 ( -1.256 0.000 0.161) 1.267 36.064 ( -3.127 0.000 -4.033) 5.103 36.090 ( 1.267 0.000 -7.409) 7.516 36.276 ( 1.530 0.000 3.327) 3.662 36.908 ( -12.351 0.000 -0.276) 12.354 37.425 ( -10.452 0.000 4.919) 11.552 38.220 ( 12.036 0.000 1.026) 12.080 38.798 ( 16.568 0.000 -0.348) 16.571 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -28.133 0.000 10.717) 30.105 0.618 ( -24.137 0.000 22.955) 33.310 0.887 ( -48.866 0.000 12.469) 50.432 1.742 ( -3.331 0.000 12.068) 12.519 1.945 ( 7.252 0.000 0.150) 7.253 1.960 ( -16.164 0.000 -0.147) 16.164 2.202 ( -1.967 0.000 4.904) 5.284 2.369 ( 5.347 0.000 1.884) 5.669 2.484 ( -2.179 0.000 6.989) 7.321 2.574 ( 3.496 0.000 -7.423) 8.205 2.673 ( -2.976 0.000 2.727) 4.037 2.719 ( 7.156 0.000 8.585) 11.177 2.724 ( 0.530 0.000 -0.644) 0.834 2.876 ( -0.636 0.000 -4.104) 4.153 2.981 ( 0.697 0.000 -7.060) 7.094 3.062 ( -6.077 0.000 -5.322) 8.078 3.090 ( -0.009 0.000 -1.162) 1.162 3.134 ( 5.763 0.000 -0.981) 5.846 3.194 ( 1.959 0.000 -3.130) 3.692 3.233 ( 9.910 0.000 -0.106) 9.910 3.262 ( -2.323 0.000 -0.128) 2.327 3.348 ( -7.777 0.000 8.281) 11.361 3.419 ( -1.977 0.000 0.253) 1.993 3.428 ( -17.251 0.000 0.774) 17.268 3.481 ( 6.867 0.000 3.951) 7.922 3.616 ( -1.354 0.000 1.704) 2.176 3.618 ( -2.486 0.000 -1.117) 2.725 3.783 ( 2.599 0.000 -0.596) 2.666 3.795 ( -4.417 0.000 -1.168) 4.569 3.846 ( -1.623 0.000 -3.164) 3.556 3.993 ( -2.251 0.000 0.126) 2.254 4.031 ( -1.716 0.000 -0.213) 1.729 4.064 ( -16.321 0.000 1.367) 16.379 4.131 ( -1.102 0.000 3.182) 3.367 4.288 ( 3.651 0.000 -2.089) 4.207 4.393 ( -2.925 0.000 -0.227) 2.934 4.468 ( -2.673 0.000 4.779) 5.476 4.568 ( -1.513 0.000 8.875) 9.003 4.659 ( -8.209 0.000 -19.743) 21.381 4.827 ( 1.687 0.000 -3.243) 3.656 4.853 ( 0.790 0.000 -6.384) 6.432 4.933 ( -0.267 0.000 0.574) 0.633 4.983 ( 0.420 0.000 0.835) 0.934 5.083 ( 5.180 0.000 -0.674) 5.224 5.128 ( 11.719 0.000 19.496) 22.747 5.183 ( -2.338 0.000 -6.318) 6.737 5.259 ( 0.789 0.000 2.882) 2.988 5.347 ( -0.181 0.000 2.550) 2.557 5.370 ( -2.627 0.000 4.064) 4.839 5.405 ( -4.486 0.000 -6.852) 8.190 5.554 ( -1.749 0.000 -3.240) 3.682 5.619 ( -0.970 0.000 1.924) 2.155 5.665 ( 2.219 0.000 -0.649) 2.312 5.793 ( -0.870 0.000 -4.875) 4.952 5.807 ( 6.433 0.000 -4.758) 8.002 5.899 ( 0.540 0.000 -5.690) 5.716 6.172 ( 2.556 0.000 0.039) 2.557 6.197 ( -1.421 0.000 -4.299) 4.527 6.215 ( -5.065 0.000 0.670) 5.109 6.304 ( 10.955 0.000 14.585) 18.241 6.353 ( 0.558 0.000 4.426) 4.461 6.386 ( 4.172 0.000 6.502) 7.725 6.547 ( 1.944 0.000 0.104) 1.947 6.548 ( -5.063 0.000 3.194) 5.986 6.576 ( -0.481 0.000 -4.568) 4.593 6.827 ( 5.221 0.000 3.106) 6.075 6.855 ( -0.737 0.000 2.607) 2.709 6.925 ( 0.923 0.000 -1.787) 2.012 6.938 ( -1.344 0.000 2.210) 2.587 7.108 ( 2.819 0.000 4.365) 5.196 7.177 ( -2.969 0.000 1.906) 3.528 7.215 ( 0.341 0.000 -3.086) 3.105 7.383 ( 2.868 0.000 3.058) 4.192 7.506 ( 1.416 0.000 0.579) 1.530 7.512 ( 6.197 0.000 1.530) 6.383 7.701 ( -4.201 0.000 1.132) 4.351 8.467 ( 13.879 0.000 -1.714) 13.984 8.614 ( 18.827 0.000 -0.474) 18.833 8.793 ( 9.869 0.000 -2.231) 10.118 8.793 ( 5.731 0.000 -1.606) 5.952 8.987 ( 6.880 0.000 0.791) 6.925 9.009 ( 0.549 0.000 0.889) 1.045 9.206 ( 1.229 0.000 0.772) 1.452 9.231 ( -3.550 0.000 3.254) 4.816 9.322 ( -4.656 0.000 -0.826) 4.729 9.347 ( -2.503 0.000 -3.264) 4.113 9.361 ( 0.329 0.000 -0.401) 0.519 9.467 ( -0.857 0.000 0.012) 0.857 9.491 ( -1.507 0.000 0.261) 1.529 9.512 ( -4.120 0.000 0.106) 4.121 9.628 ( -10.544 0.000 2.581) 10.855 9.781 ( -4.285 0.000 -3.243) 5.373 9.832 ( -0.434 0.000 3.560) 3.587 10.192 ( 3.575 0.000 0.724) 3.648 10.248 ( 1.225 0.000 0.997) 1.580 10.371 ( 6.617 0.000 -1.746) 6.844 10.435 ( 8.602 0.000 0.356) 8.610 10.616 ( 9.322 0.000 -1.352) 9.420 10.779 ( 12.297 0.000 -1.134) 12.349 10.802 ( 6.944 0.000 0.649) 6.974 10.861 ( 3.952 0.000 0.063) 3.953 10.912 ( 5.725 0.000 0.306) 5.734 11.032 ( 3.020 0.000 -0.844) 3.136 11.189 ( 3.207 0.000 0.520) 3.249 11.363 ( -14.198 0.000 0.068) 14.198 11.407 ( -12.086 0.000 -2.542) 12.350 11.685 ( 1.101 0.000 -0.203) 1.120 11.709 ( -0.932 0.000 0.879) 1.281 11.978 ( -5.734 0.000 1.811) 6.014 12.163 ( 0.266 0.000 -2.596) 2.609 12.326 ( -0.206 0.000 1.144) 1.162 12.329 ( 4.614 0.000 1.749) 4.934 12.432 ( -0.107 0.000 0.653) 0.661 12.444 ( -0.988 0.000 -0.951) 1.371 12.453 ( -0.999 0.000 -0.260) 1.033 12.463 ( -2.075 0.000 -1.168) 2.381 12.592 ( -2.661 0.000 0.651) 2.739 12.634 ( -3.903 0.000 -0.826) 3.989 12.991 ( -1.165 0.000 -0.261) 1.194 13.036 ( 0.683 0.000 0.551) 0.878 13.264 ( -1.335 0.000 0.921) 1.622 13.352 ( 2.933 0.000 -1.485) 3.287 13.571 ( -12.298 0.000 0.856) 12.328 13.979 ( 6.248 0.000 -0.038) 6.248 14.019 ( 9.568 0.000 -0.183) 9.570 14.066 ( -10.721 0.000 -12.607) 16.549 14.199 ( -0.013 0.000 -0.232) 0.233 14.228 ( -4.067 0.000 -0.716) 4.130 14.428 ( 2.481 0.000 2.275) 3.366 14.501 ( 4.172 0.000 -0.242) 4.179 14.643 ( -8.609 0.000 -0.002) 8.609 14.714 ( -4.574 0.000 -4.904) 6.706 14.920 ( -8.898 0.000 -3.742) 9.653 14.947 ( -1.993 0.000 -0.232) 2.006 15.130 ( -10.486 0.000 -0.024) 10.486 15.165 ( -9.441 0.000 -0.701) 9.467 15.348 ( -12.995 0.000 1.438) 13.074 15.459 ( -12.965 0.000 -17.833) 22.048 15.726 ( 3.171 0.000 0.881) 3.292 15.766 ( 5.531 0.000 0.687) 5.573 15.860 ( 1.775 0.000 1.106) 2.092 15.974 ( 2.155 0.000 0.006) 2.155 16.111 ( -10.073 0.000 -12.193) 15.816 16.352 ( 4.758 0.000 -3.616) 5.976 16.582 ( -2.707 0.000 0.370) 2.732 16.596 ( -2.127 0.000 -0.034) 2.127 16.700 ( -3.035 0.000 0.683) 3.111 16.978 ( -10.032 0.000 -23.970) 25.985 17.326 ( -0.162 0.000 0.971) 0.985 17.358 ( 0.511 0.000 -0.860) 1.000 17.399 ( -0.406 0.000 0.098) 0.418 17.432 ( -1.357 0.000 -1.358) 1.919 19.769 ( 0.419 0.000 3.254) 3.281 19.963 ( -2.667 0.000 -3.086) 4.079 20.069 ( -0.107 0.000 1.341) 1.346 20.151 ( -3.882 0.000 -1.773) 4.267 20.507 ( 0.870 0.000 2.452) 2.602 20.570 ( 1.119 0.000 0.323) 1.165 20.814 ( -0.395 0.000 -0.891) 0.974 20.856 ( 1.510 0.000 -1.759) 2.318 21.945 ( -4.165 0.000 0.743) 4.230 22.041 ( 3.227 0.000 4.982) 5.936 22.191 ( -5.219 0.000 0.989) 5.312 22.253 ( -2.327 0.000 0.270) 2.343 23.160 ( 8.693 0.000 -4.880) 9.969 23.162 ( 6.991 0.000 4.140) 8.125 23.326 ( 5.439 0.000 4.034) 6.772 23.335 ( 4.695 0.000 -0.540) 4.726 26.591 ( -8.707 0.000 0.182) 8.709 26.627 ( -12.540 0.000 -0.541) 12.551 26.637 ( -13.071 0.000 0.499) 13.080 27.857 ( -43.351 0.000 -69.463) 81.880 28.915 ( 16.203 0.000 0.793) 16.222 29.026 ( 18.081 0.000 1.411) 18.136 29.129 ( 9.252 0.000 0.028) 9.252 29.439 ( 12.988 0.000 -1.388) 13.062 29.831 ( -15.710 0.000 1.264) 15.761 29.983 ( -13.662 0.000 -0.823) 13.687 30.364 ( -9.297 0.000 3.589) 9.966 30.770 ( -0.618 0.000 -0.695) 0.930 30.807 ( -1.947 0.000 0.739) 2.083 30.980 ( -3.079 0.000 -0.514) 3.121 31.151 ( -5.957 0.000 0.361) 5.968 31.488 ( -3.769 0.000 -8.295) 9.111 31.522 ( -1.846 0.000 -0.481) 1.907 31.779 ( -29.122 0.000 -47.450) 55.674 31.849 ( -2.398 0.000 0.072) 2.399 32.036 ( 8.578 0.000 -0.273) 8.583 32.156 ( 9.324 0.000 -0.117) 9.324 32.208 ( 6.164 0.000 -5.896) 8.530 32.402 ( 0.086 0.000 -0.189) 0.208 32.653 ( -7.950 0.000 3.822) 8.821 32.672 ( -6.206 0.000 -0.017) 6.206 32.797 ( -14.058 0.000 -0.602) 14.071 32.952 ( -9.901 0.000 -2.240) 10.152 33.547 ( 5.258 0.000 -0.130) 5.260 33.654 ( 2.201 0.000 2.095) 3.039 34.246 ( 4.762 0.000 -4.993) 6.900 34.316 ( 4.605 0.000 -3.139) 5.573 34.478 ( 12.213 0.000 -27.847) 30.408 34.907 ( -0.455 0.000 0.761) 0.887 34.943 ( 4.256 0.000 -0.130) 4.258 34.993 ( -2.011 0.000 2.952) 3.572 35.045 ( -1.815 0.000 4.535) 4.885 35.675 ( -7.968 0.000 -10.280) 13.006 35.687 ( -1.014 0.000 -2.401) 2.606 35.767 ( -2.414 0.000 -0.589) 2.485 35.827 ( -7.206 0.000 -4.478) 8.484 35.952 ( -1.088 0.000 3.775) 3.929 36.047 ( -0.682 0.000 3.078) 3.152 36.278 ( 0.505 0.000 27.424) 27.429 36.601 ( 8.684 0.000 14.456) 16.864 36.769 ( -6.349 0.000 0.306) 6.356 37.844 ( 38.025 0.000 66.553) 76.650 38.346 ( 6.290 0.000 -4.420) 7.688 38.993 ( 9.843 0.000 -1.996) 10.043 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -2.805 28.008 9.037) 29.563 1.145 ( 1.440 27.491 24.320) 36.733 1.280 ( 3.597 30.418 30.773) 43.418 1.760 ( -2.415 -3.252 -3.887) 5.614 1.832 ( 3.110 -18.281 21.067) 28.066 1.889 ( -3.125 -5.883 3.727) 7.633 2.178 ( 0.229 4.671 -8.279) 9.509 2.343 ( -1.782 -4.423 -4.405) 6.492 2.494 ( -4.470 1.880 -4.515) 6.626 2.609 ( 1.899 -1.875 6.299) 6.841 2.646 ( 1.476 -5.231 4.155) 6.841 2.804 ( -0.758 -5.201 1.428) 5.447 2.862 ( 0.501 -0.989 5.513) 5.624 2.907 ( -0.338 -1.558 2.597) 3.047 2.944 ( 3.274 1.798 2.658) 4.585 3.014 ( 1.839 3.656 -0.817) 4.174 3.039 ( 4.735 4.042 -1.962) 6.528 3.096 ( -3.017 1.427 -0.310) 3.352 3.155 ( -5.585 -1.279 -0.095) 5.731 3.298 ( -0.952 0.701 -0.360) 1.236 3.325 ( 5.456 4.779 -2.104) 7.552 3.378 ( 3.041 -1.017 1.690) 3.624 3.440 ( -0.160 2.915 6.809) 7.408 3.492 ( -1.154 6.918 2.780) 7.545 3.585 ( 0.322 -3.629 -0.877) 3.747 3.615 ( 1.859 1.317 -3.984) 4.590 3.649 ( -1.436 -1.117 0.200) 1.831 3.695 ( -3.957 -5.363 0.546) 6.686 3.783 ( 4.892 0.011 -0.095) 4.893 3.833 ( -6.722 6.198 2.674) 9.526 3.898 ( -3.245 6.104 1.002) 6.986 3.953 ( 0.103 -1.784 -0.348) 1.820 4.057 ( 0.275 3.196 -0.762) 3.297 4.200 ( -5.213 -5.149 0.373) 7.337 4.246 ( 2.199 3.726 -1.347) 4.531 4.349 ( -1.020 -5.391 -1.573) 5.708 4.389 ( -0.849 1.963 1.619) 2.682 4.459 ( 1.419 -1.993 4.695) 5.294 4.597 ( 0.811 2.244 5.823) 6.293 4.715 ( 0.505 -5.463 -0.526) 5.511 4.854 ( -1.088 -2.008 -4.035) 4.636 4.943 ( -0.422 -6.010 -0.556) 6.051 5.034 ( 3.367 2.970 -1.174) 4.641 5.155 ( 0.154 5.861 -2.844) 6.517 5.189 ( 4.219 6.331 -3.990) 8.591 5.222 ( 2.205 -2.445 -2.744) 4.286 5.267 ( -2.155 1.991 1.053) 3.117 5.352 ( -0.213 2.999 1.294) 3.273 5.357 ( -1.233 -5.086 -1.747) 5.517 5.374 ( -4.076 -2.815 5.052) 7.075 5.480 ( 0.936 0.909 3.987) 4.195 5.601 ( 3.270 -1.238 -2.240) 4.152 5.700 ( 1.206 0.472 -9.310) 9.400 5.770 ( 4.023 3.792 -5.111) 7.529 5.881 ( -2.728 3.314 -4.406) 6.151 5.949 ( 2.713 -1.903 -0.068) 3.314 6.024 ( -0.655 -2.609 -6.296) 6.846 6.062 ( -5.083 -2.748 -4.458) 7.298 6.165 ( -1.703 -5.605 1.481) 6.042 6.241 ( 2.511 -4.988 -4.325) 7.063 6.363 ( -0.746 -13.263 4.190) 13.930 6.416 ( 1.635 -3.380 -4.991) 6.246 6.477 ( -1.191 0.545 -1.322) 1.861 6.548 ( -2.169 0.512 4.209) 4.762 6.621 ( 0.485 -1.919 -3.806) 4.290 6.836 ( -2.921 -2.470 -4.720) 6.075 6.904 ( -3.532 -5.430 1.243) 6.596 6.940 ( 1.851 -1.303 0.848) 2.417 6.993 ( -1.135 2.095 3.187) 3.979 7.086 ( -0.136 -3.841 3.266) 5.043 7.182 ( 2.409 0.476 0.320) 2.477 7.224 ( 3.055 0.155 0.900) 3.188 7.510 ( 3.407 -1.565 5.375) 6.554 7.537 ( 1.502 -1.599 3.208) 3.886 7.623 ( -4.571 0.541 1.095) 4.731 7.667 ( 2.303 -0.773 1.885) 3.075 8.658 ( -0.147 4.974 1.059) 5.087 8.820 ( -3.904 2.936 -2.944) 5.703 8.838 ( 4.563 -0.794 -0.465) 4.655 8.906 ( 1.996 4.625 -1.078) 5.151 8.977 ( 2.196 1.357 1.368) 2.922 9.069 ( -0.812 0.820 -0.236) 1.178 9.139 ( -3.291 -3.590 -0.914) 4.955 9.179 ( 0.448 -1.848 1.082) 2.188 9.243 ( -0.040 -3.418 -0.645) 3.478 9.293 ( 0.101 -1.242 -2.258) 2.580 9.329 ( -0.097 -3.119 -2.690) 4.120 9.364 ( -0.301 -5.117 -2.059) 5.524 9.448 ( -1.190 0.254 -0.304) 1.254 9.494 ( -2.114 -1.851 2.709) 3.903 9.559 ( -0.554 2.265 -0.471) 2.379 9.687 ( 3.163 -3.843 -1.813) 5.297 9.892 ( -1.695 2.880 5.285) 6.253 10.155 ( 0.960 -9.017 0.877) 9.110 10.386 ( -1.460 11.793 2.430) 12.129 10.456 ( 1.015 5.221 -1.946) 5.663 10.531 ( 0.698 -0.021 0.184) 0.722 10.689 ( 0.312 3.098 -3.211) 4.473 10.785 ( 0.435 -5.831 0.444) 5.864 10.860 ( -1.108 -2.374 -1.287) 2.919 10.911 ( -0.291 1.728 -0.007) 1.753 10.964 ( 0.210 3.204 -1.683) 3.625 11.069 ( 0.771 -2.140 0.952) 2.466 11.181 ( -1.327 -1.724 -1.578) 2.688 11.257 ( -0.139 4.134 0.007) 4.137 11.266 ( 0.724 3.888 -0.340) 3.969 11.572 ( 0.407 -10.525 0.473) 10.543 11.613 ( -0.409 -10.053 -0.835) 10.096 11.984 ( -1.668 5.532 2.191) 6.179 12.176 ( 2.170 1.660 -3.171) 4.186 12.273 ( -1.665 -2.650 1.967) 3.696 12.387 ( 0.024 -1.915 -0.837) 2.090 12.465 ( -0.878 2.323 0.060) 2.484 12.482 ( -2.765 4.435 -0.209) 5.231 12.505 ( 2.390 3.764 -0.137) 4.460 12.547 ( 0.429 6.354 -0.400) 6.381 12.626 ( -1.527 8.151 1.021) 8.356 12.790 ( 1.982 6.923 -3.087) 7.835 12.949 ( -1.247 -5.226 1.249) 5.516 12.993 ( 2.264 -4.777 0.261) 5.292 13.295 ( 0.696 3.893 -0.051) 3.955 13.341 ( 0.372 -1.770 -1.247) 2.197 13.385 ( -0.932 -0.857 1.496) 1.960 13.446 ( -0.286 -1.985 -0.021) 2.006 14.162 ( 1.202 11.101 0.957) 11.207 14.231 ( 0.398 2.191 0.324) 2.250 14.307 ( -1.686 6.298 -1.076) 6.608 14.357 ( -0.465 0.973 -1.514) 1.859 14.458 ( -3.702 -1.134 -0.092) 3.873 14.566 ( -5.470 3.152 -0.542) 6.336 14.621 ( 10.490 2.809 -1.970) 11.036 14.671 ( 2.176 2.266 -1.167) 3.351 14.834 ( -2.072 -1.724 0.421) 2.728 14.971 ( 7.973 -0.074 -4.364) 9.089 15.000 ( -5.115 -5.341 -0.474) 7.411 15.123 ( 4.500 0.644 -2.313) 5.100 15.196 ( -7.023 6.249 1.377) 9.501 15.538 ( 8.486 29.133 -20.524) 36.633 15.736 ( 0.192 -1.801 0.946) 2.044 15.826 ( -1.737 1.312 -0.301) 2.198 15.883 ( 1.112 0.888 -0.735) 1.602 15.909 ( -1.130 -0.276 -0.736) 1.377 15.979 ( -2.601 -1.263 0.525) 2.939 16.316 ( -0.077 -4.091 -5.247) 6.653 16.570 ( -0.655 1.066 0.256) 1.277 16.602 ( 0.505 0.653 1.013) 1.307 16.612 ( -4.094 -1.411 -1.642) 4.631 16.675 ( 0.536 -1.882 0.170) 1.964 17.352 ( -0.100 0.946 1.017) 1.393 17.366 ( 0.471 0.125 0.309) 0.577 17.397 ( -0.174 0.526 -0.257) 0.610 17.421 ( 0.623 -0.395 -0.176) 0.758 19.758 ( -1.139 1.982 1.300) 2.630 19.915 ( 0.969 -0.176 -4.165) 4.280 20.032 ( -0.491 -4.037 1.590) 4.366 20.083 ( -0.273 -3.585 -0.776) 3.678 20.532 ( -1.923 1.076 1.706) 2.787 20.579 ( -0.355 -0.786 1.185) 1.466 20.822 ( 0.873 0.188 -0.923) 1.285 20.856 ( 1.108 -0.693 -1.709) 2.151 21.969 ( 0.801 2.471 1.742) 3.127 22.095 ( 2.455 -3.269 0.944) 4.196 22.157 ( -1.969 -1.018 1.653) 2.766 22.214 ( -0.379 -1.681 -0.275) 1.745 23.123 ( -1.154 -1.133 -1.388) 2.131 23.178 ( 2.064 -1.752 -4.395) 5.162 23.396 ( -1.677 -0.294 2.785) 3.264 23.398 ( -1.079 -0.246 2.043) 2.324 26.520 ( 0.269 0.131 -0.239) 0.382 26.523 ( -0.502 0.102 -0.487) 0.707 26.550 ( 0.362 0.416 0.239) 0.601 26.558 ( 0.904 -0.093 0.175) 0.925 29.091 ( 0.036 1.611 1.891) 2.485 29.166 ( -1.259 -1.204 2.199) 2.805 29.277 ( 2.509 2.948 -0.768) 3.946 29.472 ( 0.273 -4.625 -3.314) 5.697 29.792 ( -1.040 11.290 2.986) 11.725 30.237 ( -2.030 -4.878 3.102) 6.127 30.566 ( 0.255 20.303 -17.128) 26.564 30.745 ( -0.309 -0.586 -0.532) 0.849 30.834 ( 1.079 3.275 -0.984) 3.586 30.929 ( 0.878 0.210 -2.984) 3.118 31.044 ( -2.135 -1.131 1.733) 2.974 31.087 ( 0.662 -2.013 0.455) 2.168 31.551 ( -0.846 5.476 0.323) 5.551 31.809 ( 0.210 -3.988 2.111) 4.517 32.050 ( -1.814 37.783 -31.788) 49.410 32.178 ( 1.269 3.962 -1.208) 4.332 32.240 ( -2.016 2.499 -0.816) 3.313 32.326 ( 2.856 -1.560 -1.276) 3.495 32.365 ( 3.540 -0.075 -2.621) 4.405 32.600 ( -5.401 0.592 1.296) 5.586 32.617 ( -1.612 -0.239 -3.381) 3.753 32.632 ( 1.150 -0.723 -0.130) 1.365 32.950 ( 1.672 12.427 -13.750) 18.609 33.478 ( -0.812 -4.746 -13.515) 14.347 33.745 ( -0.528 4.046 -0.618) 4.126 34.061 ( -1.456 -7.501 -32.684) 33.565 34.227 ( 0.013 1.568 -10.081) 10.202 34.288 ( 0.001 -1.243 -6.906) 7.017 34.989 ( -1.337 0.168 2.616) 2.943 35.002 ( 3.251 -0.318 3.884) 5.075 35.075 ( 2.479 0.257 3.048) 3.937 35.079 ( 3.138 0.241 2.614) 4.091 35.612 ( 0.858 2.259 -1.611) 2.904 35.679 ( 1.470 1.228 -2.053) 2.808 35.724 ( 0.786 -2.287 -0.433) 2.457 35.746 ( 0.562 -1.182 -1.060) 1.684 36.018 ( 0.447 0.629 7.856) 7.894 36.075 ( 0.378 -2.022 7.590) 7.864 36.610 ( 0.748 2.071 -0.884) 2.373 36.668 ( 0.014 -1.157 -5.251) 5.377 36.863 ( -1.833 10.393 36.800) 38.283 37.875 ( -3.896 -42.225 39.822) 58.171 38.602 ( -0.713 2.965 -4.302) 5.273 38.962 ( 0.368 -8.272 -4.359) 9.358 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 18.720 14.332 14.272) 27.559 1.419 ( 10.054 26.632 12.282) 31.003 1.709 ( 7.032 -4.328 -2.350) 8.585 1.868 ( 7.032 -0.427 -3.596) 7.910 1.920 ( 13.061 7.873 35.241) 38.399 2.062 ( 2.814 8.625 -17.039) 19.304 2.178 ( 2.327 -12.083 16.998) 20.985 2.248 ( -1.798 -8.693 -0.107) 8.877 2.438 ( -0.075 -2.987 3.093) 4.301 2.676 ( -2.958 -6.106 7.147) 9.855 2.761 ( -5.928 2.995 -2.466) 7.085 2.786 ( 1.517 0.456 4.625) 4.888 2.819 ( -1.053 -0.577 1.257) 1.738 2.897 ( -1.131 -3.267 3.342) 4.808 3.025 ( -1.262 4.301 5.160) 6.835 3.030 ( 1.161 1.029 -0.361) 1.593 3.038 ( -1.601 5.712 5.019) 7.771 3.107 ( -0.227 -2.149 2.569) 3.357 3.175 ( 4.997 -2.428 -1.961) 5.891 3.315 ( 4.347 -0.178 0.535) 4.384 3.411 ( -3.251 4.572 -3.513) 6.619 3.436 ( 10.614 4.345 -2.350) 11.707 3.452 ( 0.786 -2.885 -6.318) 6.990 3.504 ( -2.617 -0.643 -0.556) 2.752 3.586 ( 2.072 0.076 -3.348) 3.938 3.600 ( 2.274 4.939 4.448) 7.025 3.636 ( 1.397 -0.097 4.143) 4.373 3.690 ( 0.792 0.651 0.168) 1.039 3.742 ( -3.019 8.712 3.545) 9.878 3.878 ( 2.586 1.711 1.920) 3.648 3.925 ( 1.814 -2.881 2.189) 4.047 3.990 ( 4.315 2.247 0.476) 4.889 4.041 ( 2.986 -6.894 -4.701) 8.862 4.158 ( -0.001 -4.960 1.242) 5.113 4.278 ( 6.009 4.946 -3.379) 8.485 4.327 ( -0.367 -5.810 -1.716) 6.069 4.427 ( 1.360 2.719 2.562) 3.975 4.565 ( 0.359 4.207 1.066) 4.355 4.614 ( 2.473 2.247 2.859) 4.397 4.744 ( -0.396 -0.158 -2.284) 2.324 4.797 ( 0.229 -1.172 4.577) 4.730 4.926 ( 1.347 -4.566 -2.766) 5.506 5.039 ( -3.986 0.648 0.444) 4.063 5.111 ( -2.226 7.920 -0.588) 8.248 5.145 ( -1.221 7.255 -5.547) 9.214 5.179 ( -0.053 -3.956 -8.064) 8.982 5.227 ( -0.202 5.341 -4.608) 7.057 5.337 ( 3.331 0.268 0.357) 3.360 5.373 ( 0.548 -0.068 -0.038) 0.554 5.435 ( -0.939 -5.455 7.005) 8.928 5.556 ( -2.429 -0.490 4.736) 5.345 5.595 ( 2.807 0.630 -5.522) 6.227 5.627 ( 1.505 0.107 -7.600) 7.749 5.767 ( 3.623 2.849 -1.721) 4.920 5.824 ( -0.560 0.708 -2.840) 2.980 5.869 ( -0.162 -7.814 -5.657) 9.648 5.983 ( -2.370 -4.946 0.554) 5.512 6.076 ( -0.938 1.699 -0.844) 2.116 6.091 ( -2.013 -3.170 -3.248) 4.965 6.201 ( 4.910 -7.453 -7.781) 11.841 6.348 ( -6.105 -5.941 -0.371) 8.527 6.387 ( -1.491 -8.649 1.840) 8.967 6.449 ( -0.089 -3.345 0.196) 3.352 6.536 ( -3.367 -3.185 -3.813) 6.001 6.630 ( 3.046 -0.704 4.625) 5.583 6.748 ( -1.073 -3.378 -2.468) 4.319 6.826 ( -4.846 0.317 1.974) 5.242 6.944 ( -1.622 -2.458 0.949) 3.094 7.026 ( -0.577 3.298 2.759) 4.339 7.124 ( 0.446 -2.203 3.669) 4.303 7.203 ( 0.140 1.035 -2.174) 2.412 7.267 ( 1.785 -0.059 -0.010) 1.786 7.548 ( -5.310 0.626 1.313) 5.506 7.580 ( -1.032 -0.680 2.719) 2.986 7.609 ( 1.030 -1.072 3.302) 3.621 7.686 ( -1.306 -0.833 0.810) 1.748 8.550 ( -12.737 5.532 0.913) 13.916 8.579 ( -18.902 3.237 -1.953) 19.276 8.764 ( -13.856 -3.083 -1.297) 14.255 8.835 ( -9.097 -2.913 -0.720) 9.579 8.991 ( -1.282 1.912 1.041) 2.527 9.066 ( -2.043 0.676 -1.852) 2.840 9.111 ( -4.385 3.872 0.847) 5.911 9.132 ( 5.827 0.607 -0.707) 5.901 9.299 ( 3.729 -2.535 -1.251) 4.679 9.311 ( 2.293 -3.849 -0.193) 4.484 9.340 ( 6.364 -3.767 -1.754) 7.600 9.369 ( 2.558 -2.885 -1.895) 4.296 9.455 ( 2.462 0.693 -0.468) 2.600 9.526 ( 1.621 -1.764 3.449) 4.199 9.586 ( 5.424 1.318 -1.767) 5.855 9.759 ( 6.645 -5.219 -1.623) 8.604 9.946 ( 0.320 3.056 5.797) 6.561 10.172 ( -0.653 -7.000 1.048) 7.109 10.332 ( -6.080 10.631 -0.137) 12.248 10.406 ( -5.660 3.598 -0.836) 6.759 10.477 ( -7.256 -1.514 0.733) 7.449 10.597 ( -7.133 2.835 -2.643) 8.118 10.733 ( -7.854 -4.522 0.827) 9.100 10.751 ( -8.243 -0.843 -1.745) 8.468 10.831 ( -8.484 3.635 -0.568) 9.247 10.916 ( -3.939 3.531 -0.701) 5.336 11.061 ( -3.735 -3.992 1.222) 5.602 11.132 ( -2.334 -1.863 -1.157) 3.203 11.370 ( 11.916 1.401 -0.466) 12.007 11.387 ( 12.814 1.695 -0.314) 12.930 11.589 ( 2.147 -7.530 -0.409) 7.840 11.626 ( 3.387 -7.828 0.450) 8.541 12.018 ( 2.825 4.703 1.911) 5.810 12.194 ( 3.493 2.970 -2.818) 5.382 12.284 ( 0.329 -4.153 2.387) 4.802 12.385 ( -2.033 0.498 0.980) 2.311 12.413 ( -3.996 3.095 -0.619) 5.092 12.429 ( -1.994 1.586 -0.662) 2.633 12.512 ( -0.615 1.743 -0.792) 2.011 12.543 ( 0.067 3.948 -0.504) 3.980 12.637 ( 0.909 8.915 1.784) 9.137 12.790 ( 2.058 7.858 -1.752) 8.309 12.948 ( 0.176 -5.737 0.442) 5.757 13.021 ( 0.476 -3.138 0.169) 3.178 13.297 ( 0.790 5.083 -0.036) 5.144 13.335 ( 1.823 0.675 -0.557) 2.023 13.511 ( 9.146 -4.507 0.049) 10.196 13.565 ( 13.714 -7.439 -0.826) 15.624 14.173 ( -6.943 8.002 -1.835) 10.752 14.187 ( -6.505 12.234 1.606) 13.948 14.226 ( 1.435 5.503 1.290) 5.831 14.356 ( 4.304 2.557 -1.147) 5.136 14.397 ( -4.807 -2.212 0.711) 5.339 14.521 ( -0.571 4.734 -2.331) 5.308 14.697 ( 6.205 2.027 -0.199) 6.531 14.788 ( 5.080 1.207 0.422) 5.239 14.900 ( 7.391 -1.884 0.755) 7.665 15.000 ( 10.492 4.081 -4.659) 12.184 15.123 ( 10.972 -4.299 -0.803) 11.811 15.167 ( 5.403 -2.221 -0.767) 5.892 15.252 ( 11.372 6.763 -0.914) 13.263 15.495 ( 8.750 16.307 -9.445) 20.777 15.709 ( -5.721 -5.051 2.058) 7.905 15.789 ( -5.489 -0.002 0.899) 5.562 15.854 ( 1.441 2.130 0.118) 2.574 15.925 ( 2.171 -0.102 -1.546) 2.667 16.002 ( -0.237 -5.240 3.202) 6.145 16.205 ( -4.099 -6.597 -6.985) 10.445 16.590 ( 3.409 -0.160 -0.117) 3.415 16.619 ( 3.901 -0.458 0.337) 3.943 16.646 ( 2.732 0.525 0.496) 2.826 16.694 ( 2.133 -0.982 -1.375) 2.721 17.359 ( -0.539 0.679 1.010) 1.331 17.373 ( -0.076 0.054 0.329) 0.342 17.392 ( 0.214 0.970 -0.457) 1.093 17.432 ( 1.099 -0.633 -0.435) 1.340 19.773 ( 1.479 2.480 1.400) 3.209 19.904 ( 3.418 -0.706 -4.145) 5.419 20.047 ( 0.513 -3.552 1.362) 3.839 20.083 ( 1.046 -3.825 -0.638) 4.016 20.507 ( -3.888 1.768 1.742) 4.613 20.578 ( -2.065 -1.240 1.593) 2.888 20.808 ( -0.401 0.765 -1.913) 2.099 20.851 ( 0.576 -0.930 -1.495) 1.853 22.041 ( 4.731 2.148 2.514) 5.772 22.127 ( 2.887 1.085 -2.291) 3.842 22.172 ( 1.505 -3.261 2.502) 4.377 22.221 ( 1.850 -1.764 -0.290) 2.573 23.059 ( -4.739 0.247 -1.639) 5.020 23.127 ( -2.682 -2.210 -3.030) 4.610 23.331 ( -9.721 -0.447 2.499) 10.047 23.347 ( -7.591 -1.635 2.424) 8.135 26.597 ( 9.722 0.650 0.249) 9.747 26.620 ( 12.708 0.311 -0.094) 12.712 26.674 ( 14.516 0.694 0.601) 14.546 26.823 ( 28.720 -7.157 -8.245) 30.725 28.989 ( -15.150 3.954 1.182) 15.702 29.073 ( -13.103 3.054 0.136) 13.455 29.180 ( -12.246 -1.588 2.489) 12.597 29.324 ( -11.962 -4.769 -3.835) 13.436 29.960 ( 13.986 11.377 3.575) 18.380 30.242 ( 6.058 14.037 -7.062) 16.841 30.495 ( 3.383 3.697 2.815) 5.748 30.722 ( -0.039 -2.191 -2.657) 3.444 30.870 ( 3.679 2.591 0.617) 4.542 30.936 ( 2.819 0.903 -2.541) 3.901 31.082 ( 4.224 -2.681 0.246) 5.009 31.155 ( 7.157 -2.723 -0.600) 7.681 31.566 ( 1.924 7.289 0.384) 7.548 31.767 ( 3.287 17.688 -9.218) 20.215 31.938 ( 0.966 -0.567 2.968) 3.172 32.107 ( -8.967 1.843 1.689) 9.308 32.141 ( -5.953 2.762 -1.652) 6.767 32.278 ( -6.359 -1.234 -0.508) 6.498 32.306 ( -7.139 -2.888 -2.337) 8.048 32.628 ( 5.725 -3.725 -6.474) 9.411 32.652 ( 9.661 0.162 -2.223) 9.915 32.725 ( 10.430 -1.385 0.315) 10.526 32.973 ( 10.135 2.493 -3.658) 11.059 33.203 ( 0.307 -6.836 -23.435) 24.413 33.755 ( -2.164 0.584 4.470) 5.001 33.817 ( -2.883 -2.051 -5.205) 6.294 34.102 ( -3.310 1.246 -7.450) 8.247 34.170 ( -3.964 -1.556 -7.886) 8.962 34.978 ( -2.550 1.355 1.300) 3.167 35.051 ( -1.325 -2.084 2.230) 3.328 35.134 ( 2.612 1.573 2.354) 3.852 35.168 ( 3.255 -0.264 2.752) 4.271 35.616 ( 2.917 2.833 -3.661) 5.472 35.704 ( 4.254 0.895 -1.700) 4.667 35.746 ( 3.662 -2.149 -2.336) 4.846 35.777 ( 4.641 -1.639 -1.238) 5.075 36.141 ( 1.781 0.731 10.518) 10.693 36.188 ( 0.787 -1.420 10.494) 10.619 36.546 ( -0.411 0.690 -7.041) 7.086 36.587 ( -0.071 -0.943 -7.666) 7.724 37.267 ( -1.309 11.586 33.220) 35.206 38.012 ( -10.866 -16.543 11.505) 22.894 38.441 ( -15.128 0.774 1.615) 15.234 38.829 ( -9.514 -9.702 -6.521) 15.073 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 17.263 10.610 15.666) 25.613 1.683 ( 12.062 5.900 6.553) 14.942 1.868 ( 5.025 -4.764 5.815) 9.042 1.922 ( 6.920 10.417 -13.296) 18.253 2.004 ( 16.202 4.280 -6.362) 17.924 2.161 ( 5.500 -4.714 -8.866) 11.449 2.304 ( -1.720 -5.151 0.413) 5.446 2.396 ( 8.134 -2.954 10.008) 13.230 2.566 ( -6.521 -6.858 -2.901) 9.898 2.613 ( -2.456 -2.374 10.323) 10.873 2.683 ( 5.230 0.225 3.278) 6.177 2.817 ( -3.868 0.226 4.106) 5.646 2.877 ( 1.029 -3.696 1.896) 4.280 2.962 ( 0.738 0.345 5.296) 5.358 3.027 ( -4.786 -0.912 6.290) 7.956 3.056 ( 3.440 0.334 0.267) 3.467 3.134 ( -0.054 2.330 5.576) 6.043 3.170 ( 0.289 3.765 -4.259) 5.691 3.222 ( 7.214 2.142 5.651) 9.411 3.245 ( 0.386 6.129 -4.198) 7.439 3.341 ( 1.613 3.171 -4.309) 5.588 3.395 ( -0.775 0.789 -1.677) 2.008 3.477 ( 8.474 1.365 -0.346) 8.590 3.577 ( 2.197 -0.180 -0.949) 2.400 3.619 ( 3.329 0.941 -0.977) 3.594 3.676 ( 1.958 4.713 -2.475) 5.672 3.727 ( 4.255 4.792 9.388) 11.367 3.761 ( 4.169 1.366 0.904) 4.479 3.866 ( 7.510 6.875 3.826) 10.877 3.944 ( 2.748 1.061 4.232) 5.156 3.958 ( 3.473 3.785 3.428) 6.175 4.047 ( 6.568 -2.523 -7.526) 10.303 4.086 ( 2.184 -3.958 -0.970) 4.623 4.144 ( 3.614 -1.813 -6.910) 8.006 4.306 ( 0.712 -2.983 -1.241) 3.308 4.373 ( 6.490 -6.451 0.885) 9.193 4.459 ( 1.018 -0.858 0.829) 1.568 4.520 ( -0.511 6.678 -3.173) 7.411 4.689 ( 1.052 5.565 0.449) 5.682 4.793 ( 0.627 -1.276 9.394) 9.501 4.847 ( 0.767 -0.334 0.299) 0.888 4.913 ( -0.546 0.802 -5.132) 5.223 4.981 ( -2.150 -3.675 5.809) 7.202 5.035 ( -3.187 -0.497 -4.130) 5.240 5.089 ( -1.144 4.048 0.744) 4.272 5.140 ( -2.383 5.013 -3.406) 6.512 5.155 ( 2.602 1.863 -0.916) 3.328 5.330 ( -3.158 -0.975 -1.933) 3.829 5.423 ( 1.649 1.538 3.273) 3.974 5.457 ( -1.666 3.850 -1.499) 4.454 5.497 ( -0.672 -1.399 0.215) 1.567 5.553 ( 1.628 -5.411 -8.561) 10.258 5.649 ( -0.801 0.905 3.175) 3.398 5.756 ( -0.591 -5.477 -3.266) 6.404 5.817 ( 0.363 -5.509 -3.837) 6.724 5.844 ( -2.750 -1.144 1.585) 3.374 5.930 ( -2.419 -2.711 3.140) 4.803 5.997 ( -0.421 2.310 -5.837) 6.291 6.049 ( 1.630 0.889 -6.103) 6.379 6.231 ( -5.379 -10.360 -2.012) 11.845 6.267 ( 3.771 -6.143 2.335) 7.577 6.367 ( -4.528 -7.166 2.158) 8.747 6.417 ( -1.295 -5.452 -2.712) 6.226 6.478 ( 0.097 -4.213 0.383) 4.232 6.717 ( 3.170 3.174 0.625) 4.530 6.784 ( 2.779 0.223 1.261) 3.060 6.855 ( 4.800 -0.298 5.871) 7.589 6.945 ( 0.439 -0.773 2.882) 3.016 7.030 ( -0.975 4.950 0.860) 5.118 7.114 ( -3.379 0.878 -1.001) 3.632 7.233 ( 3.947 -1.724 1.388) 4.525 7.274 ( 0.611 -1.343 -0.723) 1.643 7.445 ( -6.445 2.112 -2.882) 7.369 7.546 ( -5.312 -1.588 -0.947) 5.624 7.605 ( -2.083 -0.090 -2.617) 3.346 7.676 ( -3.049 -0.700 3.557) 4.737 8.240 ( -20.595 5.161 -2.087) 21.335 8.327 ( -15.521 6.177 -0.287) 16.708 8.483 ( -18.549 -4.699 -1.210) 19.173 8.635 ( -14.349 -7.139 -0.138) 16.028 8.990 ( 2.587 1.777 -2.041) 3.744 9.035 ( 0.177 2.586 -0.250) 2.604 9.100 ( -0.604 4.773 2.533) 5.437 9.222 ( 5.639 -0.670 0.008) 5.679 9.331 ( 1.532 -2.212 0.169) 2.696 9.357 ( 4.049 -3.854 -0.239) 5.596 9.396 ( 3.825 -2.493 -0.604) 4.606 9.427 ( 5.089 -2.587 -0.483) 5.729 9.503 ( 4.058 1.675 -0.658) 4.440 9.594 ( 2.840 0.500 2.368) 3.731 9.659 ( 4.910 -2.637 -1.101) 5.681 9.819 ( 3.002 -6.323 -1.320) 7.122 10.011 ( -0.492 2.287 4.277) 4.875 10.125 ( -8.124 -1.786 0.780) 8.354 10.227 ( -4.160 6.084 -2.765) 7.872 10.267 ( -10.527 1.525 -0.874) 10.673 10.349 ( -10.367 -0.606 1.845) 10.548 10.431 ( -10.509 2.339 -0.761) 10.793 10.584 ( -9.391 0.630 -2.870) 9.840 10.629 ( -6.291 -5.066 2.081) 8.341 10.686 ( -8.753 5.878 0.644) 10.563 10.840 ( -4.197 2.164 -1.061) 4.840 10.996 ( -5.390 -4.317 1.174) 7.005 11.056 ( -6.082 -3.016 -1.288) 6.909 11.566 ( 12.427 -0.617 -0.161) 12.443 11.592 ( 12.821 -1.066 -0.530) 12.876 11.667 ( 8.085 -1.609 0.084) 8.244 11.711 ( 5.875 -3.304 0.820) 6.790 12.098 ( 4.336 3.430 1.765) 5.804 12.192 ( -0.036 3.791 -2.172) 4.370 12.299 ( -3.270 -0.043 1.104) 3.451 12.347 ( -3.691 5.020 2.358) 6.662 12.368 ( -0.325 -2.320 -0.680) 2.439 12.417 ( 1.489 -2.850 -0.192) 3.221 12.485 ( -1.039 -1.434 -1.186) 2.131 12.530 ( -0.409 0.406 -0.818) 1.000 12.698 ( 3.590 6.616 1.784) 7.736 12.806 ( 1.984 5.812 -1.379) 6.294 12.961 ( 0.310 -4.842 0.528) 4.880 13.012 ( -1.551 -3.268 -0.533) 3.657 13.330 ( 3.848 7.253 -0.362) 8.219 13.383 ( 4.363 5.134 0.094) 6.738 13.666 ( 7.741 -8.390 0.564) 11.430 13.728 ( 7.064 -8.202 -0.319) 10.830 14.072 ( -1.498 9.283 -1.347) 9.499 14.118 ( -1.776 11.181 1.358) 11.402 14.272 ( 2.252 -0.690 0.498) 2.407 14.329 ( -2.680 -1.977 -0.564) 3.378 14.436 ( 0.680 7.900 3.178) 8.543 14.505 ( 3.136 11.313 -2.907) 12.094 14.774 ( 3.173 0.227 -0.888) 3.302 14.834 ( 0.175 1.304 0.247) 1.339 14.999 ( 6.328 2.145 0.577) 6.707 15.133 ( 9.949 2.779 -3.292) 10.842 15.281 ( 8.272 -3.299 -0.077) 8.906 15.301 ( 11.108 -2.816 0.427) 11.467 15.452 ( 13.960 0.642 -0.175) 13.976 15.554 ( 5.222 1.805 -1.538) 5.735 15.635 ( -5.302 -4.280 0.883) 6.871 15.683 ( -7.011 -1.352 -0.369) 7.150 15.934 ( 5.988 1.480 2.328) 6.593 15.955 ( 6.850 0.366 -4.603) 8.261 16.025 ( -1.346 -4.209 2.903) 5.287 16.070 ( -3.140 -3.781 -4.608) 6.737 16.639 ( 1.914 -0.083 -0.074) 1.918 16.676 ( 1.433 -1.408 -1.467) 2.488 16.695 ( 4.376 1.142 -0.139) 4.525 16.725 ( 2.292 -0.031 2.136) 3.133 17.359 ( -0.160 0.581 0.373) 0.709 17.375 ( 0.124 -0.120 0.452) 0.484 17.396 ( 0.707 1.060 -0.234) 1.296 17.441 ( 1.122 -0.767 -1.107) 1.753 19.840 ( 4.680 1.289 1.857) 5.197 19.918 ( 4.081 -1.568 -3.885) 5.849 20.092 ( 3.721 -1.993 0.396) 4.240 20.107 ( 3.228 -2.162 0.089) 3.886 20.453 ( -5.752 2.302 2.278) 6.601 20.544 ( -4.739 -1.589 1.597) 5.247 20.774 ( -1.248 1.428 -1.695) 2.543 20.834 ( -0.684 -1.168 -1.529) 2.042 22.149 ( 6.311 1.686 0.331) 6.541 22.157 ( 4.591 1.808 -1.798) 5.251 22.249 ( 5.741 -1.892 0.946) 6.119 22.280 ( 5.502 -1.780 0.865) 5.847 22.945 ( -7.378 1.141 -1.530) 7.621 23.038 ( -5.442 -2.597 -1.219) 6.151 23.175 ( -12.828 -0.489 1.843) 12.969 23.229 ( -10.304 -2.799 1.506) 10.783 26.824 ( 17.723 2.252 1.512) 17.929 26.876 ( 19.730 2.567 -1.679) 19.967 27.002 ( 23.720 -2.978 5.263) 24.479 27.149 ( 27.207 -7.680 -10.940) 30.313 28.710 ( -20.635 5.643 0.837) 21.409 28.788 ( -20.735 6.471 -1.228) 21.756 28.990 ( -16.837 -5.642 3.162) 18.037 29.050 ( -17.722 -5.384 -3.528) 18.855 30.224 ( 13.733 10.312 2.537) 17.360 30.318 ( 10.309 12.566 -2.311) 16.417 30.609 ( 3.710 -1.610 4.394) 5.972 30.697 ( 1.600 -2.545 -3.282) 4.451 30.953 ( 5.337 1.639 -1.043) 5.679 30.978 ( 6.522 3.033 0.349) 7.202 31.160 ( 5.312 -4.255 -0.072) 6.806 31.266 ( 7.956 -3.864 -1.295) 8.939 31.595 ( -0.020 8.947 0.673) 8.972 31.763 ( 1.539 10.339 -1.689) 10.588 31.913 ( -7.011 -1.945 2.131) 7.582 31.981 ( -6.119 3.920 0.345) 7.275 32.040 ( -9.162 -0.838 -1.726) 9.361 32.188 ( -4.752 -1.357 0.951) 5.033 32.258 ( 3.530 -6.220 4.418) 8.407 32.457 ( 0.077 -8.803 -20.637) 22.436 32.858 ( 11.091 1.445 4.437) 12.032 32.927 ( 11.561 -1.516 3.674) 12.225 33.120 ( 12.390 0.606 -2.507) 12.655 33.139 ( 10.817 -0.242 -7.608) 13.227 33.757 ( -3.664 -0.022 1.592) 3.995 33.763 ( -3.489 -0.179 3.569) 4.994 33.971 ( -5.632 0.157 -2.681) 6.239 34.002 ( -6.734 -1.040 -6.239) 9.239 34.943 ( -2.512 1.693 -0.210) 3.037 35.026 ( -2.444 -1.822 -0.731) 3.134 35.203 ( 3.131 1.129 1.448) 3.630 35.242 ( 2.422 -0.559 2.229) 3.339 35.618 ( 2.440 3.591 -2.963) 5.256 35.762 ( 5.128 -0.050 -1.520) 5.349 35.783 ( 4.254 -1.718 -2.022) 5.014 35.848 ( 5.823 -2.072 -1.118) 6.281 36.302 ( 2.549 0.463 11.259) 11.553 36.327 ( 1.767 -1.055 9.889) 10.101 36.460 ( 0.390 0.948 -7.520) 7.589 36.506 ( 2.540 -0.918 -9.503) 9.879 37.545 ( -4.407 8.534 23.579) 25.460 37.863 ( -8.965 1.873 -8.959) 12.812 38.247 ( -18.805 -4.820 12.264) 22.962 38.532 ( -15.946 -9.887 -9.795) 21.166 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 1.954 9.732 -2.915) 10.346 1.858 ( 4.055 7.785 -9.069) 12.622 1.953 ( 4.927 -5.497 2.729) 7.870 2.057 ( 5.295 0.139 -1.268) 5.446 2.093 ( 10.059 -4.096 5.111) 12.003 2.194 ( 4.402 -2.225 2.533) 5.545 2.430 ( 11.556 -0.043 1.326) 11.632 2.477 ( 0.799 2.260 -3.539) 4.274 2.556 ( 1.875 -8.364 1.520) 8.705 2.601 ( 5.054 1.681 -0.152) 5.328 2.709 ( -4.191 -4.223 0.085) 5.950 2.763 ( 0.357 -6.099 -5.579) 8.274 2.920 ( 0.557 2.560 -1.896) 3.234 2.968 ( -1.918 1.933 1.156) 2.958 3.042 ( 5.123 6.576 -1.030) 8.399 3.116 ( 0.430 2.020 -0.094) 2.067 3.147 ( 1.383 -1.153 2.614) 3.174 3.199 ( 1.289 0.730 -2.820) 3.185 3.279 ( 3.043 -2.967 0.145) 4.253 3.360 ( 3.729 2.591 -1.695) 4.847 3.398 ( 11.776 5.962 0.669) 13.216 3.466 ( 4.798 4.892 -2.017) 7.143 3.571 ( -1.187 9.602 1.554) 9.799 3.600 ( 1.523 -0.325 -3.593) 3.916 3.662 ( 2.328 2.616 -1.458) 3.793 3.678 ( 2.803 -2.113 5.996) 6.948 3.796 ( 6.439 5.238 0.590) 8.321 3.851 ( -0.998 -4.540 4.487) 6.461 3.939 ( 0.784 3.628 -0.970) 3.836 3.993 ( 1.796 0.819 -3.272) 3.821 4.040 ( 2.373 2.365 -3.829) 5.088 4.088 ( 5.390 5.162 2.558) 7.890 4.161 ( 5.267 0.208 -4.089) 6.671 4.191 ( 8.956 -0.493 6.388) 11.012 4.300 ( -1.275 -3.392 1.684) 3.996 4.430 ( -1.939 1.599 -1.517) 2.936 4.501 ( 6.377 -0.894 -2.794) 7.019 4.519 ( 1.595 -1.869 2.123) 3.247 4.669 ( -2.683 3.931 0.363) 4.773 4.757 ( -1.386 3.690 -3.332) 5.161 4.859 ( -3.101 -8.175 -1.571) 8.883 4.952 ( -1.147 -8.916 0.542) 9.005 4.994 ( 4.712 2.855 4.065) 6.847 5.054 ( -0.567 0.023 7.059) 7.081 5.089 ( -1.106 4.298 -1.003) 4.550 5.095 ( 0.546 3.267 2.522) 4.163 5.225 ( 0.647 2.360 0.418) 2.482 5.269 ( 0.127 0.444 -0.412) 0.619 5.392 ( -4.159 1.380 -0.604) 4.424 5.438 ( -2.938 2.414 2.902) 4.783 5.470 ( -0.404 -3.875 -7.293) 8.269 5.519 ( 0.610 -2.461 1.736) 3.073 5.640 ( -2.658 5.717 -1.224) 6.422 5.698 ( -4.385 -2.960 2.842) 6.005 5.776 ( 2.383 -3.873 -0.876) 4.631 5.841 ( -1.732 -2.485 2.475) 3.912 5.875 ( -2.144 1.151 -6.773) 7.197 5.971 ( -0.151 -0.759 4.326) 4.395 6.055 ( -0.100 -9.671 0.382) 9.679 6.162 ( -1.698 -3.824 0.879) 4.275 6.298 ( -1.563 -2.621 0.331) 3.069 6.324 ( -0.489 -6.579 -0.598) 6.624 6.380 ( -2.614 -5.694 -0.396) 6.278 6.512 ( 1.977 -6.115 0.356) 6.437 6.792 ( 6.604 3.765 1.115) 7.683 6.839 ( 3.000 -0.861 0.522) 3.165 6.941 ( -0.649 3.868 -0.220) 3.928 7.019 ( 1.614 3.451 -2.236) 4.417 7.068 ( 4.089 -0.427 2.745) 4.944 7.097 ( 3.547 -0.951 3.681) 5.200 7.252 ( 0.795 -0.454 -1.859) 2.072 7.308 ( -3.838 1.219 -2.786) 4.897 7.329 ( 1.236 -1.794 2.061) 2.999 7.415 ( -6.673 -2.585 -3.508) 7.970 7.532 ( -3.277 3.554 -1.185) 4.977 7.652 ( -4.667 -2.486 3.066) 6.112 7.934 ( -14.646 5.792 -1.440) 15.816 8.089 ( -12.900 7.238 -1.378) 14.856 8.207 ( -13.911 -4.704 -0.948) 14.715 8.424 ( -11.788 -8.037 -0.330) 14.271 9.020 ( 4.007 3.357 -2.584) 5.831 9.051 ( 2.448 2.386 -1.163) 3.610 9.136 ( -0.062 2.496 4.421) 5.077 9.288 ( 2.371 -4.200 -0.157) 4.826 9.385 ( 3.889 0.244 2.269) 4.509 9.402 ( 2.889 -1.871 -0.603) 3.495 9.469 ( 5.141 -1.819 0.149) 5.456 9.491 ( 2.482 -2.130 1.275) 3.510 9.562 ( 4.797 0.679 -0.619) 4.885 9.673 ( 4.393 0.264 1.050) 4.525 9.696 ( 1.194 -3.840 -0.468) 4.049 9.832 ( 0.021 -5.830 0.049) 5.830 9.945 ( -14.057 0.981 0.146) 14.092 9.973 ( -8.326 0.352 0.292) 8.339 10.089 ( -9.465 2.108 -1.716) 9.848 10.142 ( -4.476 0.788 -2.137) 5.022 10.226 ( -4.233 1.802 -1.431) 4.818 10.311 ( -5.547 2.443 2.954) 6.743 10.408 ( -8.320 2.052 -3.059) 9.099 10.577 ( -4.874 -4.514 1.335) 6.775 10.603 ( -3.763 5.373 2.818) 7.139 10.776 ( -2.131 2.284 -1.049) 3.295 10.921 ( -6.536 -4.502 0.618) 7.961 10.955 ( -2.904 -2.888 -0.852) 4.184 11.713 ( 7.012 -1.487 -0.341) 7.176 11.769 ( 9.395 -0.706 0.272) 9.425 11.783 ( 5.725 -1.019 -0.251) 5.821 11.815 ( 5.745 0.439 0.434) 5.778 12.151 ( -1.167 3.438 -0.787) 3.715 12.191 ( 3.621 2.729 1.137) 4.675 12.247 ( -2.653 2.520 -0.200) 3.664 12.319 ( -2.231 3.075 -0.381) 3.818 12.361 ( -0.632 -2.635 1.353) 3.029 12.458 ( 0.995 -3.285 1.622) 3.797 12.461 ( 0.244 -4.423 -0.925) 4.525 12.543 ( 4.040 -3.111 -0.796) 5.160 12.756 ( 1.597 3.835 -0.021) 4.154 12.814 ( 0.942 4.034 -0.555) 4.180 12.946 ( -3.427 -3.818 -0.568) 5.162 12.969 ( -2.192 -2.436 0.146) 3.280 13.410 ( 6.841 8.959 -0.427) 11.280 13.464 ( 5.653 7.995 0.130) 9.793 13.719 ( -1.082 -2.030 0.478) 2.350 13.752 ( -2.372 -0.447 -0.163) 2.419 14.112 ( 6.268 4.430 -0.631) 7.701 14.183 ( 6.267 1.122 1.084) 6.458 14.312 ( 2.114 -1.177 0.339) 2.443 14.316 ( 2.418 -1.288 -0.879) 2.878 14.446 ( -1.231 10.911 1.545) 11.088 14.523 ( 1.803 9.820 -1.340) 10.074 14.742 ( -5.256 -0.371 -0.975) 5.359 14.820 ( -3.179 0.959 0.823) 3.421 15.124 ( 7.682 -0.714 0.310) 7.721 15.215 ( 4.798 0.942 -1.557) 5.132 15.370 ( 1.182 -5.683 1.083) 5.905 15.426 ( 2.600 -5.510 -0.262) 6.098 15.579 ( -0.973 -1.212 -0.231) 1.572 15.594 ( 0.636 -0.697 -0.751) 1.206 15.615 ( 1.091 -2.097 0.459) 2.408 15.640 ( 8.076 -2.390 0.398) 8.432 15.997 ( 2.575 -0.196 -3.602) 4.432 16.012 ( 5.154 -0.994 -2.673) 5.890 16.054 ( 3.474 1.741 2.580) 4.664 16.094 ( 4.548 -0.068 3.194) 5.558 16.649 ( -0.277 -0.311 0.133) 0.437 16.666 ( -0.611 -0.432 -0.075) 0.753 16.751 ( 2.461 0.446 -0.306) 2.520 16.768 ( -0.425 0.022 1.763) 1.814 17.370 ( 1.181 0.810 0.063) 1.434 17.393 ( 1.198 -0.228 0.820) 1.470 17.404 ( 0.261 0.633 0.109) 0.694 17.439 ( 0.572 -0.700 -1.717) 1.940 19.948 ( 6.071 -0.728 -1.937) 6.414 19.956 ( 6.479 -0.707 0.452) 6.533 20.143 ( 3.333 0.203 -0.727) 3.417 20.201 ( 5.473 -1.672 1.925) 6.037 20.387 ( -6.530 2.113 3.226) 7.583 20.471 ( -6.487 -1.466 1.757) 6.879 20.736 ( -1.599 1.319 -0.849) 2.240 20.796 ( -1.911 -1.195 -1.281) 2.593 22.233 ( 7.050 2.069 -0.826) 7.394 22.246 ( 7.435 1.761 -1.368) 7.762 22.371 ( 7.692 -1.501 1.032) 7.905 22.391 ( 7.326 -1.904 -0.035) 7.570 22.809 ( -7.661 1.582 -0.978) 7.884 22.929 ( -7.312 -2.400 -0.841) 7.741 22.997 ( -11.854 -0.536 1.722) 11.990 23.072 ( -10.823 -2.618 0.605) 11.152 27.144 ( 20.372 3.686 -0.554) 20.711 27.178 ( 21.055 5.138 0.551) 21.680 27.420 ( 23.514 -6.658 -6.971) 25.414 27.505 ( 25.574 -7.690 9.253) 28.263 28.391 ( -20.835 5.524 0.002) 21.555 28.446 ( -20.811 6.783 -0.375) 21.892 28.687 ( -21.635 -6.146 -4.079) 22.858 28.758 ( -18.477 -7.033 3.743) 20.121 30.401 ( 9.140 7.451 -1.557) 11.895 30.495 ( 9.658 8.746 3.274) 13.434 30.665 ( 1.677 -2.353 -2.146) 3.599 30.716 ( 1.471 0.037 1.919) 2.418 31.023 ( 6.759 2.683 -1.781) 7.487 31.134 ( 9.702 3.369 2.808) 10.647 31.237 ( 3.601 -5.759 1.004) 6.866 31.366 ( 6.729 -4.204 -1.049) 8.003 31.564 ( -3.970 6.926 0.019) 7.983 31.677 ( -10.288 4.347 -0.135) 11.170 31.825 ( -6.851 -0.150 1.885) 7.107 31.866 ( -8.864 -2.086 -1.523) 9.232 32.002 ( 5.132 7.447 1.884) 9.238 32.157 ( 0.861 -0.488 -2.576) 2.759 32.296 ( 1.394 -4.593 -4.618) 6.661 32.419 ( 2.617 -8.357 9.883) 13.205 33.056 ( 7.021 1.693 4.121) 8.316 33.137 ( 9.150 -1.722 2.726) 9.701 33.259 ( 12.209 0.807 -3.540) 12.738 33.282 ( 11.863 0.055 -2.514) 12.127 33.697 ( -4.511 0.391 -1.580) 4.795 33.731 ( -3.349 -0.922 0.291) 3.486 33.847 ( -7.772 0.328 0.274) 7.784 33.875 ( -7.682 -0.797 3.432) 8.451 34.906 ( -1.383 1.539 -0.546) 2.140 34.978 ( -1.252 -1.476 -1.743) 2.605 35.252 ( 2.441 0.767 -1.095) 2.783 35.287 ( 1.854 -0.669 -0.528) 2.040 35.633 ( 1.661 4.028 0.380) 4.374 35.815 ( 3.254 -3.075 -0.384) 4.493 35.833 ( 3.977 0.875 -1.029) 4.200 35.922 ( 4.594 -2.511 -0.313) 5.245 36.369 ( 2.379 0.674 -7.548) 7.942 36.437 ( 4.475 -1.655 -4.962) 6.884 36.445 ( 0.277 1.013 3.436) 3.593 36.482 ( 2.261 -0.026 2.573) 3.426 37.611 ( -4.229 7.176 -12.442) 14.973 37.664 ( -7.410 4.737 13.497) 16.110 38.116 ( -16.672 -5.638 11.565) 21.059 38.174 ( -12.423 -7.663 -10.376) 17.909 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 4.266 2.502 0.105) 4.947 1.866 ( 5.875 4.803 -2.148) 7.886 1.949 ( 0.567 -5.946 -3.834) 7.098 2.058 ( -3.303 -1.536 0.742) 3.717 2.236 ( 0.260 2.379 -0.718) 2.499 2.351 ( 9.054 -1.279 2.784) 9.558 2.398 ( -10.774 -5.769 -4.667) 13.082 2.480 ( 0.493 9.438 -0.251) 9.454 2.553 ( -1.369 -2.863 -1.283) 3.423 2.666 ( 8.468 2.110 -4.645) 9.886 2.733 ( 3.846 -2.807 -5.946) 7.618 2.792 ( 4.602 -6.230 3.248) 8.399 2.895 ( 1.998 3.335 -4.085) 5.639 2.948 ( -2.002 1.532 -1.247) 2.813 3.066 ( 3.199 -0.297 -7.151) 7.839 3.120 ( -1.899 6.513 2.150) 7.117 3.172 ( -0.537 2.417 -6.400) 6.862 3.194 ( 3.179 -4.416 -1.338) 5.603 3.332 ( 1.112 -4.705 -0.052) 4.835 3.375 ( -7.555 1.237 -4.972) 9.129 3.401 ( 3.070 6.408 0.331) 7.113 3.509 ( 9.607 3.794 -7.322) 12.661 3.555 ( 5.326 1.765 -1.397) 5.782 3.590 ( 0.459 4.424 0.610) 4.490 3.648 ( 0.535 3.172 -2.624) 4.151 3.784 ( -6.210 -1.722 1.350) 6.584 3.893 ( 3.709 -2.946 5.638) 7.363 3.895 ( -2.145 0.729 -2.882) 3.666 3.936 ( 0.627 2.012 2.800) 3.505 3.966 ( -1.652 -1.762 -3.440) 4.203 4.035 ( 5.889 9.511 -2.045) 11.372 4.160 ( -0.744 9.045 1.067) 9.138 4.203 ( 2.545 -0.395 0.124) 2.579 4.307 ( -1.646 -0.607 3.221) 3.668 4.370 ( 4.419 -1.692 4.562) 6.572 4.409 ( 1.491 1.800 2.207) 3.214 4.501 ( 2.164 -1.558 -3.795) 4.638 4.594 ( 2.332 -2.534 1.804) 3.887 4.694 ( 2.531 4.738 3.830) 6.598 4.749 ( 0.632 -1.131 1.557) 2.026 4.778 ( -4.315 -5.126 -0.079) 6.701 4.933 ( 1.375 -0.913 -4.393) 4.693 5.002 ( -4.714 0.698 -4.491) 6.548 5.050 ( -2.163 3.207 -0.524) 3.904 5.078 ( -0.768 0.284 -0.053) 0.820 5.141 ( -1.395 0.922 -1.142) 2.025 5.198 ( 1.528 -1.743 -1.572) 2.800 5.242 ( -3.168 2.384 0.758) 4.036 5.343 ( -2.404 0.744 -3.255) 4.114 5.420 ( -0.399 -3.541 4.385) 5.650 5.471 ( 4.478 1.713 1.524) 5.031 5.549 ( -2.550 5.143 3.110) 6.529 5.592 ( -1.176 -5.675 1.762) 6.057 5.724 ( -1.301 1.343 7.499) 7.729 5.796 ( -0.061 -2.575 -1.097) 2.800 5.838 ( 2.020 2.921 3.879) 5.259 5.873 ( -1.136 -1.038 5.277) 5.497 5.996 ( -2.391 -6.947 1.134) 7.434 6.071 ( 2.072 -4.732 3.904) 6.475 6.170 ( -2.385 -4.163 3.180) 5.756 6.288 ( -1.258 -1.745 -1.372) 2.552 6.308 ( 3.344 -3.252 -0.207) 4.669 6.366 ( 0.048 -7.742 1.103) 7.820 6.508 ( -0.941 -6.883 -1.441) 7.095 6.836 ( 0.167 2.323 -4.940) 5.461 6.906 ( 0.959 -0.469 -1.978) 2.248 6.948 ( 5.471 -1.719 -0.491) 5.756 6.963 ( -0.618 -2.889 -6.173) 6.843 7.116 ( 2.598 2.739 -2.293) 4.417 7.185 ( -1.494 3.986 3.535) 5.534 7.227 ( -2.025 4.239 -0.603) 4.736 7.245 ( -2.000 1.933 1.469) 3.145 7.323 ( -0.630 -2.036 -0.545) 2.199 7.394 ( 2.696 -3.337 3.239) 5.375 7.484 ( -1.614 2.839 -0.546) 3.311 7.603 ( -6.211 -2.722 2.032) 7.079 7.801 ( -2.586 4.431 1.536) 5.355 7.939 ( -3.172 8.342 -0.730) 8.955 8.081 ( -2.535 -4.719 2.493) 5.909 8.285 ( -4.888 -8.050 -0.063) 9.418 9.036 ( 1.995 4.731 -3.083) 5.989 9.067 ( 1.763 3.173 -2.352) 4.325 9.183 ( -0.632 0.267 4.005) 4.063 9.302 ( 0.306 -4.586 -0.406) 4.614 9.446 ( 4.039 0.664 -0.020) 4.094 9.482 ( 2.809 -0.423 2.512) 3.792 9.520 ( -0.050 -3.789 1.172) 3.967 9.546 ( 0.905 -1.489 2.406) 2.971 9.641 ( 4.799 0.809 0.769) 4.927 9.698 ( -2.720 -1.425 0.633) 3.135 9.727 ( 1.594 -1.058 -0.772) 2.063 9.762 ( -4.127 0.285 -0.591) 4.179 9.805 ( -3.957 -1.905 -0.338) 4.404 9.828 ( -7.178 -1.656 -0.419) 7.378 9.986 ( -0.287 -0.192 -1.142) 1.193 10.049 ( -3.806 -1.511 -1.162) 4.257 10.193 ( 1.884 1.919 -2.778) 3.866 10.232 ( -4.608 1.624 -3.058) 5.764 10.333 ( -1.400 4.029 3.313) 5.400 10.511 ( -3.211 -5.093 -1.568) 6.222 10.590 ( -2.469 7.365 2.339) 8.112 10.743 ( -0.361 3.326 -1.708) 3.757 10.864 ( -1.595 -4.577 1.982) 5.237 10.931 ( -0.615 -3.525 0.573) 3.624 11.784 ( 2.494 0.301 -0.063) 2.513 11.827 ( 1.036 1.081 -0.045) 1.498 11.872 ( 1.795 -0.720 0.372) 1.970 11.889 ( 4.305 -3.012 -0.244) 5.260 12.136 ( -0.028 3.045 0.144) 3.049 12.207 ( -1.269 2.021 0.430) 2.425 12.245 ( 1.176 4.455 -0.803) 4.677 12.269 ( -2.070 0.979 -1.794) 2.909 12.371 ( -0.612 -1.226 1.750) 2.222 12.465 ( 0.449 -5.145 -0.727) 5.215 12.493 ( 1.115 -3.814 1.551) 4.266 12.610 ( 3.910 -6.482 -0.837) 7.616 12.751 ( -0.211 2.827 -0.162) 2.840 12.835 ( 2.151 1.997 0.034) 2.935 12.875 ( -3.789 -1.006 -0.533) 3.956 12.939 ( -2.022 -2.112 -0.103) 2.926 13.518 ( 6.732 8.335 -0.333) 10.719 13.543 ( 3.412 7.863 -0.022) 8.571 13.673 ( -4.469 5.096 0.218) 6.782 13.700 ( -2.656 5.388 -0.503) 6.028 14.195 ( 3.637 1.721 0.238) 4.030 14.269 ( 3.957 -0.403 0.121) 3.980 14.315 ( -1.925 3.299 -0.043) 3.820 14.361 ( 0.858 2.247 -0.392) 2.437 14.481 ( 5.075 3.585 1.530) 6.399 14.571 ( 7.561 2.697 -2.112) 8.301 14.624 ( -8.048 0.119 -0.246) 8.053 14.739 ( -7.725 -0.394 0.194) 7.737 15.213 ( 5.010 -3.703 -0.758) 6.276 15.282 ( 4.658 -1.831 0.108) 5.006 15.342 ( -4.543 -6.017 0.672) 7.569 15.378 ( -5.035 -6.012 -0.757) 7.878 15.596 ( 2.729 -1.146 -0.542) 3.009 15.613 ( 0.301 -1.191 -1.094) 1.645 15.656 ( 3.521 1.321 0.160) 3.764 15.702 ( -0.256 -0.833 0.051) 0.873 16.029 ( 3.210 1.058 -0.632) 3.438 16.059 ( 2.651 0.348 -0.216) 2.683 16.123 ( 3.076 0.655 0.961) 3.288 16.173 ( 0.370 -0.849 2.056) 2.255 16.645 ( 0.026 -0.092 0.407) 0.418 16.666 ( -0.913 -0.759 1.631) 2.017 16.741 ( -2.518 0.940 0.243) 2.698 16.782 ( 1.423 -0.567 -0.694) 1.682 17.382 ( 0.246 1.082 -0.950) 1.461 17.409 ( 0.290 0.341 1.125) 1.211 17.412 ( -0.754 -0.140 -0.706) 1.042 17.436 ( 2.000 -0.772 -0.332) 2.170 20.016 ( 6.151 -0.064 -2.165) 6.521 20.070 ( 4.929 -2.304 0.011) 5.441 20.161 ( 0.045 2.374 -0.153) 2.380 20.256 ( -1.314 -1.303 0.299) 1.874 20.346 ( -3.671 1.191 4.346) 5.812 20.409 ( -4.106 -1.169 2.903) 5.163 20.714 ( -0.347 1.010 0.127) 1.075 20.766 ( -0.233 -1.107 -0.114) 1.137 22.333 ( 4.366 2.711 0.170) 5.142 22.344 ( 5.577 2.674 -0.788) 6.235 22.474 ( 4.569 -2.698 -0.305) 5.314 22.495 ( 5.551 -2.538 0.240) 6.108 22.712 ( -3.315 0.778 -0.349) 3.423 22.799 ( -6.440 -1.433 -1.923) 6.872 22.875 ( -5.678 -0.341 2.206) 6.101 22.933 ( -6.392 -1.746 0.481) 6.644 27.413 ( 15.020 4.494 -1.382) 15.739 27.491 ( 12.294 7.507 1.705) 14.505 27.676 ( 16.729 -5.671 -3.433) 17.995 27.915 ( 6.837 -10.043 4.413) 12.926 28.105 ( -11.286 4.005 -0.348) 11.981 28.173 ( -13.231 6.686 0.719) 14.842 28.349 ( -9.821 -6.048 0.734) 11.558 28.550 ( -13.662 -9.117 5.021) 17.175 30.494 ( 4.466 5.235 -0.777) 6.924 30.620 ( 0.539 4.642 -1.753) 4.991 30.667 ( 3.495 0.171 1.541) 3.824 30.741 ( -0.986 1.177 1.397) 2.076 31.127 ( 7.918 2.119 -0.143) 8.198 31.259 ( -1.816 -2.480 1.168) 3.289 31.302 ( 5.440 2.371 0.886) 6.000 31.412 ( -4.403 -2.137 -1.138) 5.025 31.511 ( 1.239 0.867 -0.760) 1.692 31.560 ( -0.975 0.208 1.652) 1.930 31.747 ( -7.711 0.779 3.267) 8.411 31.772 ( -1.333 0.075 1.286) 1.854 32.083 ( 0.363 8.035 2.562) 8.441 32.148 ( 2.314 3.752 -1.761) 4.747 32.385 ( 5.856 -5.171 8.616) 11.630 32.542 ( -3.440 -8.065 11.573) 14.520 33.134 ( -0.013 2.266 -0.410) 2.303 33.218 ( 1.694 -1.227 -3.748) 4.292 33.415 ( 8.718 -0.122 -1.710) 8.885 33.437 ( 8.584 -0.771 0.694) 8.646 33.616 ( -0.503 1.548 -1.548) 2.246 33.692 ( -2.090 -1.817 1.012) 2.949 33.770 ( -5.497 0.781 4.179) 6.949 33.800 ( -7.219 -0.623 4.448) 8.502 34.897 ( 0.207 1.313 0.797) 1.550 34.960 ( 0.689 -1.341 -0.475) 1.581 35.248 ( 0.873 0.698 -3.863) 4.021 35.282 ( 0.426 -0.699 -3.534) 3.628 35.684 ( 1.397 3.828 4.235) 5.877 35.864 ( 1.819 -3.588 2.104) 4.540 35.870 ( 1.963 1.548 -0.805) 2.626 35.978 ( 2.239 -2.889 0.738) 3.729 36.324 ( 4.411 1.397 -9.781) 10.820 36.410 ( -4.939 1.871 -5.039) 7.300 36.417 ( 6.809 -1.778 -11.161) 13.195 36.479 ( -4.070 -1.036 -3.854) 5.700 37.537 ( 6.730 6.574 -2.561) 9.750 37.637 ( -10.086 3.175 5.864) 12.091 37.976 ( -14.085 -4.189 5.705) 15.763 37.998 ( 2.327 -5.880 -4.351) 7.676 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -8.450 7.676 -1.014) 11.461 1.855 ( -6.050 1.512 -4.304) 7.577 1.952 ( 2.525 3.872 -2.516) 5.263 2.055 ( 6.145 1.064 -0.999) 6.316 2.121 ( -10.977 -4.195 -1.856) 11.897 2.277 ( 3.777 -7.128 1.504) 8.206 2.381 ( 2.298 0.756 -5.215) 5.749 2.510 ( -0.157 -5.787 -2.220) 6.200 2.572 ( -1.465 1.836 1.795) 2.956 2.619 ( -4.215 -0.378 -4.075) 5.875 2.710 ( -6.119 -3.452 -6.468) 9.549 2.757 ( -4.912 1.333 -1.002) 5.187 2.889 ( 3.548 0.319 -3.788) 5.200 2.960 ( -0.508 6.885 -0.966) 6.971 3.024 ( 3.921 0.180 -7.198) 8.198 3.049 ( 1.768 -3.226 -2.020) 4.197 3.057 ( -2.762 0.628 -4.561) 5.369 3.193 ( -9.008 1.319 2.448) 9.427 3.248 ( 1.829 2.921 1.516) 3.765 3.362 ( -1.606 -7.188 -1.668) 7.551 3.390 ( -3.765 7.665 -2.967) 9.041 3.492 ( -5.568 0.717 1.334) 5.770 3.506 ( -4.116 3.810 -10.490) 11.896 3.571 ( -1.844 3.904 -2.176) 4.835 3.731 ( -0.977 -3.426 2.839) 4.556 3.745 ( 4.290 1.703 -2.353) 5.181 3.814 ( 0.605 -0.965 -2.406) 2.662 3.868 ( -1.625 2.761 -6.186) 6.967 3.906 ( -5.049 6.130 1.111) 8.019 3.948 ( -3.913 2.057 1.790) 4.769 4.050 ( 1.445 5.499 -2.910) 6.387 4.169 ( -1.488 5.109 4.079) 6.704 4.277 ( 2.507 -0.576 1.132) 2.810 4.315 ( -0.807 1.307 3.917) 4.208 4.439 ( 1.663 0.907 0.253) 1.911 4.462 ( -1.829 2.164 4.181) 5.051 4.521 ( 0.004 -0.661 2.641) 2.723 4.614 ( 0.800 -3.305 1.165) 3.595 4.736 ( -1.866 -1.931 0.417) 2.717 4.756 ( 0.572 2.577 -2.039) 3.335 4.797 ( -1.130 1.841 -1.011) 2.385 4.843 ( -2.304 -5.048 0.003) 5.549 4.916 ( 0.508 -0.932 -4.236) 4.367 4.998 ( -0.875 2.614 -1.721) 3.250 5.018 ( 0.052 -0.700 -2.115) 2.228 5.101 ( 0.196 3.609 -5.029) 6.193 5.216 ( 0.136 0.525 2.731) 2.784 5.285 ( 4.204 1.909 2.849) 5.426 5.346 ( 0.133 -4.800 4.436) 6.537 5.438 ( 1.464 -4.017 1.644) 4.580 5.500 ( -1.343 1.588 -1.691) 2.680 5.584 ( 1.767 -3.251 3.777) 5.288 5.646 ( 4.206 0.146 2.291) 4.792 5.786 ( 0.866 -2.139 1.619) 2.819 5.813 ( -1.038 3.796 5.228) 6.543 5.848 ( -3.947 -1.600 2.605) 4.992 5.920 ( -2.404 3.053 1.803) 4.284 6.044 ( 6.374 -1.660 6.357) 9.154 6.140 ( -3.494 -3.032 3.777) 5.972 6.158 ( -0.424 -8.191 4.330) 9.275 6.298 ( 2.932 -4.949 -0.256) 5.758 6.353 ( 0.331 -5.658 0.085) 5.668 6.406 ( 2.426 -2.952 3.121) 4.934 6.492 ( 2.327 -6.709 -1.464) 7.251 6.799 ( 1.817 0.784 -3.234) 3.791 6.832 ( -2.646 -0.923 -3.569) 4.538 6.863 ( -2.034 -1.297 -6.459) 6.895 6.920 ( -3.166 -1.757 -7.895) 8.686 7.091 ( -6.640 5.511 1.368) 8.737 7.139 ( -5.136 3.785 -0.123) 6.381 7.249 ( 3.828 2.803 1.306) 4.921 7.301 ( 3.576 1.553 0.744) 3.969 7.340 ( 2.947 -0.828 2.193) 3.765 7.457 ( -2.966 -4.400 1.380) 5.482 7.489 ( 3.081 0.819 -1.258) 3.427 7.541 ( 1.073 -0.028 2.463) 2.686 7.853 ( 5.534 4.106 2.837) 7.452 7.972 ( 6.472 8.113 -0.208) 10.380 8.154 ( 5.355 -6.545 4.277) 9.477 8.281 ( 4.404 -6.933 -0.930) 8.266 9.022 ( 0.742 5.691 -2.488) 6.255 9.049 ( -0.171 4.278 -2.738) 5.082 9.193 ( -3.278 -0.013 3.196) 4.578 9.295 ( -0.416 -4.135 -0.501) 4.186 9.482 ( -5.056 -0.398 2.465) 5.639 9.492 ( -4.175 -0.398 1.459) 4.441 9.511 ( -0.821 -2.516 1.407) 2.998 9.547 ( -0.689 -1.321 2.147) 2.614 9.653 ( -2.841 -2.039 -2.520) 4.311 9.658 ( -3.891 -0.537 1.350) 4.153 9.707 ( 1.044 -0.519 -0.544) 1.287 9.783 ( 3.451 -2.983 -1.318) 4.748 9.812 ( 6.771 1.640 1.979) 7.242 9.866 ( 8.259 -1.008 1.317) 8.424 9.979 ( 1.629 -1.735 -1.374) 2.748 10.045 ( 4.287 -2.099 -1.388) 4.971 10.126 ( -3.095 5.111 -3.868) 7.118 10.232 ( 4.992 2.007 -1.913) 5.710 10.388 ( 4.016 -1.089 1.943) 4.592 10.458 ( 1.155 -4.908 -2.695) 5.717 10.590 ( -0.603 7.410 2.814) 7.949 10.741 ( 2.459 5.581 -1.284) 6.233 10.885 ( 0.219 -4.794 1.715) 5.097 10.950 ( 2.241 -3.458 0.922) 4.222 11.795 ( -1.154 0.936 0.447) 1.552 11.810 ( -2.505 1.017 -0.612) 2.772 11.873 ( -3.182 -1.628 0.288) 3.586 11.896 ( -3.006 -2.827 -0.023) 4.127 12.150 ( 0.980 2.408 0.757) 2.708 12.202 ( -0.585 0.602 0.045) 0.841 12.216 ( -0.642 3.688 -1.910) 4.202 12.253 ( 1.055 3.843 -0.666) 4.040 12.382 ( 0.108 -0.813 1.285) 1.524 12.446 ( -1.445 -4.964 -1.144) 5.295 12.506 ( -1.121 -5.114 1.619) 5.480 12.609 ( -1.934 -6.311 -0.895) 6.661 12.774 ( 0.052 3.165 0.597) 3.221 12.818 ( -1.255 3.048 -0.949) 3.431 12.900 ( 4.980 -2.102 0.887) 5.478 12.917 ( 0.656 -2.252 -1.109) 2.594 13.528 ( -4.858 7.727 -0.358) 9.134 13.535 ( -5.241 8.473 0.053) 9.963 13.665 ( 4.007 5.713 0.012) 6.978 13.695 ( 2.954 4.915 -0.558) 5.762 14.211 ( -2.507 1.336 1.063) 3.033 14.254 ( -5.100 0.661 -0.883) 5.218 14.321 ( 1.685 2.970 0.432) 3.442 14.355 ( 0.109 3.326 -0.692) 3.398 14.459 ( -7.962 2.478 0.529) 8.355 14.602 ( -5.140 0.780 -0.621) 5.235 14.659 ( 7.447 0.322 0.476) 7.469 14.680 ( 7.918 1.553 -1.340) 8.179 15.231 ( -7.250 -4.102 -0.570) 8.349 15.283 ( 1.908 -5.169 0.719) 5.557 15.311 ( -0.488 -4.071 -0.749) 4.168 15.382 ( 5.850 -4.186 -0.253) 7.198 15.574 ( -3.145 -0.344 -0.942) 3.301 15.614 ( -0.474 -2.672 -1.051) 2.910 15.661 ( -3.416 0.643 0.115) 3.478 15.694 ( 0.585 -0.214 -0.061) 0.626 16.042 ( -3.058 1.639 -0.019) 3.469 16.065 ( 0.049 1.542 -0.141) 1.549 16.148 ( -4.841 -0.537 0.520) 4.899 16.190 ( 2.513 -1.977 2.964) 4.360 16.660 ( -1.469 0.050 1.409) 2.036 16.676 ( 2.314 -0.503 1.674) 2.900 16.716 ( -0.308 1.415 -0.710) 1.613 16.791 ( 0.494 -1.703 -0.507) 1.844 17.363 ( -1.036 0.743 -0.615) 1.416 17.383 ( -1.175 -0.124 -1.082) 1.603 17.427 ( 0.186 0.737 0.796) 1.101 17.461 ( 1.087 -0.678 -0.076) 1.283 20.018 ( -5.796 1.006 -1.498) 6.070 20.074 ( 0.492 -0.801 -1.026) 1.391 20.202 ( 1.050 -0.719 0.669) 1.438 20.229 ( 0.743 -0.883 -0.136) 1.162 20.339 ( -3.261 1.748 4.305) 5.676 20.408 ( -0.763 -1.212 3.250) 3.551 20.733 ( 2.021 1.121 0.660) 2.403 20.788 ( 2.376 -1.146 0.105) 2.640 22.321 ( -4.644 3.014 -0.375) 5.549 22.355 ( -3.581 2.917 -0.333) 4.631 22.482 ( -6.694 -3.713 0.204) 7.657 22.513 ( -4.802 -3.422 0.374) 5.908 22.719 ( 6.214 1.906 -0.019) 6.500 22.763 ( 7.037 0.463 -2.437) 7.462 22.885 ( 3.504 -1.124 1.941) 4.160 22.933 ( 5.063 -2.710 0.451) 5.760 27.404 ( -17.603 5.110 -1.114) 18.363 27.505 ( -7.293 6.665 1.516) 9.996 27.668 ( -24.329 -5.646 -3.566) 25.229 27.870 ( 4.881 -7.609 3.543) 9.710 28.107 ( 9.713 6.234 -0.035) 11.542 28.196 ( 16.318 4.261 0.146) 16.865 28.488 ( 1.301 -9.771 2.861) 10.264 28.548 ( 16.399 -9.391 6.226) 19.896 30.512 ( -2.759 4.430 0.117) 5.220 30.543 ( -4.981 4.222 -1.755) 6.761 30.711 ( -3.373 1.477 0.637) 3.737 30.743 ( 1.671 0.402 1.048) 2.014 31.187 ( -6.968 0.866 0.802) 7.067 31.229 ( -9.509 3.198 -0.734) 10.059 31.258 ( 5.081 -1.909 2.508) 5.979 31.383 ( 3.175 -2.837 -2.330) 4.854 31.541 ( -0.110 -0.010 0.235) 0.260 31.635 ( 6.734 -2.979 -0.712) 7.398 31.713 ( -1.591 3.301 5.482) 6.594 31.831 ( 5.461 -0.142 1.689) 5.718 32.082 ( -4.314 9.022 3.960) 10.756 32.194 ( 1.685 8.112 4.861) 9.606 32.527 ( -8.952 -6.281 8.547) 13.879 32.665 ( 8.777 -6.727 13.746) 17.642 33.076 ( -4.446 1.169 -2.021) 5.022 33.124 ( -5.769 -0.845 -5.238) 7.838 33.448 ( -2.046 0.114 -1.964) 2.838 33.472 ( -2.177 -0.719 -1.882) 2.966 33.653 ( -3.974 0.099 1.338) 4.194 33.659 ( 0.254 -0.085 4.595) 4.603 33.831 ( 7.923 -0.225 4.071) 8.910 33.833 ( 6.368 -0.227 4.174) 7.618 34.926 ( 0.646 1.089 2.616) 2.907 34.982 ( 1.256 -1.293 1.021) 2.072 35.200 ( -0.392 0.537 -4.806) 4.851 35.223 ( -1.231 -0.437 -5.331) 5.489 35.765 ( 0.933 3.014 6.595) 7.311 35.874 ( -0.495 2.121 -0.260) 2.194 35.914 ( 0.431 -3.429 3.263) 4.753 36.009 ( -0.404 -2.989 2.263) 3.770 36.201 ( -5.307 1.999 -10.702) 12.112 36.282 ( -4.108 -0.909 -10.326) 11.150 36.318 ( 2.290 1.332 -10.487) 10.817 36.399 ( 7.962 -1.822 -13.568) 15.837 37.474 ( -14.709 4.409 -0.178) 15.356 37.676 ( 0.814 -1.818 2.902) 3.519 37.847 ( 0.548 3.549 0.971) 3.720 38.140 ( 15.618 -6.458 1.365) 16.956 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -20.598 8.409 -5.421) 22.899 1.632 ( -14.856 17.399 -4.907) 23.399 1.825 ( -13.273 -6.473 -1.386) 14.833 2.053 ( 3.427 0.227 -2.596) 4.305 2.191 ( -2.841 0.463 -3.126) 4.249 2.231 ( -7.002 -1.954 -8.902) 11.493 2.259 ( -6.703 -0.029 0.066) 6.703 2.371 ( -11.271 0.674 -4.631) 12.204 2.438 ( -4.083 -5.755 -3.360) 7.815 2.607 ( -4.710 -0.284 5.585) 7.312 2.653 ( 5.710 -0.983 -2.012) 6.133 2.706 ( 3.477 -5.168 -2.032) 6.552 2.804 ( -1.667 -0.637 -3.000) 3.491 2.904 ( -3.570 -3.967 -3.306) 6.278 2.985 ( -2.166 4.883 -3.928) 6.631 3.072 ( -3.073 -0.402 -0.317) 3.115 3.079 ( -5.217 4.155 7.571) 10.089 3.173 ( 2.371 1.469 -3.178) 4.229 3.232 ( 0.075 -5.350 -2.990) 6.130 3.276 ( 0.539 6.573 1.186) 6.700 3.300 ( -4.733 3.481 0.642) 5.911 3.385 ( 3.921 -2.179 1.815) 4.839 3.451 ( -3.703 6.007 0.370) 7.066 3.532 ( -1.064 4.282 -1.916) 4.810 3.603 ( -8.358 -2.948 -4.315) 9.857 3.714 ( -6.055 2.981 -4.588) 8.160 3.741 ( -2.958 -0.202 -3.268) 4.413 3.831 ( -2.903 2.614 -1.146) 4.071 3.863 ( -0.061 -0.796 0.832) 1.153 3.950 ( -1.123 4.158 5.223) 6.769 4.029 ( -3.242 2.704 1.898) 4.629 4.147 ( -4.677 2.796 -0.417) 5.465 4.264 ( -5.118 -1.674 1.256) 5.530 4.337 ( -3.820 -3.128 2.124) 5.375 4.448 ( -3.431 2.222 1.738) 4.442 4.474 ( -1.840 3.171 2.260) 4.307 4.505 ( 0.068 3.311 -2.280) 4.020 4.630 ( -5.784 1.089 -2.003) 6.217 4.645 ( -2.841 3.435 2.328) 5.029 4.747 ( -1.569 -6.455 -3.639) 7.574 4.792 ( 4.037 -0.232 1.165) 4.208 4.814 ( 2.589 -2.071 3.226) 4.626 4.937 ( 1.726 -1.597 -0.560) 2.417 4.995 ( 3.606 -2.982 -7.382) 8.740 5.027 ( 1.954 1.336 -0.990) 2.566 5.107 ( 5.719 1.835 0.421) 6.021 5.281 ( 3.130 -1.716 0.895) 3.680 5.330 ( -0.744 -1.016 3.857) 4.057 5.418 ( 1.527 -4.387 5.048) 6.860 5.450 ( -2.146 1.848 0.372) 2.856 5.541 ( 4.616 1.204 1.566) 5.021 5.625 ( 3.517 -4.428 -3.975) 6.912 5.694 ( -3.840 3.130 2.016) 5.349 5.774 ( -0.615 -1.104 0.132) 1.271 5.866 ( -1.481 3.009 1.261) 3.583 5.875 ( 3.223 3.832 6.539) 8.236 5.913 ( 2.699 -1.147 2.014) 3.557 6.127 ( -1.021 -4.426 0.998) 4.651 6.171 ( -1.993 -8.928 1.116) 9.215 6.240 ( 6.772 -0.125 5.721) 8.865 6.311 ( -0.102 -3.162 -0.437) 3.194 6.376 ( 1.251 -5.536 1.357) 5.835 6.442 ( 0.654 -3.469 0.156) 3.534 6.561 ( 2.684 -5.549 3.856) 7.270 6.737 ( -5.220 0.770 -4.633) 7.022 6.754 ( -4.921 0.696 -3.396) 6.019 6.807 ( 1.502 2.746 0.798) 3.230 6.844 ( 4.284 -0.053 -3.290) 5.402 7.006 ( -3.004 3.386 -0.809) 4.598 7.069 ( -4.415 3.294 1.723) 5.772 7.232 ( -2.637 -1.802 -1.293) 3.446 7.324 ( -4.271 -3.113 0.954) 5.370 7.408 ( 0.875 0.785 -1.732) 2.093 7.454 ( 6.008 -0.374 -0.660) 6.056 7.515 ( 2.350 4.314 -1.784) 5.226 7.643 ( 4.474 -2.284 2.680) 5.694 8.030 ( 13.842 3.579 1.345) 14.360 8.102 ( 11.658 6.433 -1.638) 13.416 8.320 ( 11.367 -7.414 1.634) 13.670 8.386 ( 11.108 -5.212 -1.316) 12.341 9.000 ( -0.855 5.666 -2.306) 6.177 9.023 ( 0.817 5.106 -1.138) 5.295 9.174 ( -3.560 0.346 3.793) 5.213 9.276 ( -1.599 -3.148 -0.224) 3.538 9.423 ( -5.325 -1.021 2.599) 6.012 9.436 ( -3.984 -1.239 1.400) 4.401 9.495 ( -3.021 -2.331 1.028) 3.952 9.535 ( -4.721 -2.068 -0.962) 5.243 9.572 ( -2.035 -0.223 0.582) 2.129 9.607 ( -5.062 -0.414 0.744) 5.133 9.742 ( 1.517 -1.885 0.277) 2.436 9.819 ( 1.083 -4.470 -0.647) 4.645 9.936 ( 0.534 0.748 0.882) 1.274 9.989 ( 5.406 0.554 1.256) 5.578 10.045 ( 9.714 2.247 -2.342) 10.242 10.085 ( 8.684 0.182 -3.837) 9.495 10.147 ( 10.691 0.283 -1.553) 10.807 10.307 ( 7.726 -0.988 -1.231) 7.886 10.461 ( 5.977 -1.376 -0.246) 6.138 10.543 ( 8.372 -1.530 1.225) 8.598 10.643 ( 3.386 5.716 2.732) 7.183 10.787 ( 4.699 5.538 -0.631) 7.290 10.905 ( 1.659 -5.170 0.128) 5.431 11.012 ( 4.272 -3.303 0.436) 5.418 11.731 ( -7.311 -0.964 -0.374) 7.384 11.757 ( -5.169 -0.085 0.809) 5.233 11.778 ( -7.727 -1.553 -0.778) 7.920 11.804 ( -8.278 -0.310 0.270) 8.288 12.137 ( -3.621 1.020 -0.588) 3.808 12.198 ( 1.583 1.901 0.573) 2.539 12.229 ( 2.551 4.975 -0.037) 5.591 12.272 ( 1.636 2.556 -0.372) 3.058 12.409 ( -1.645 -3.859 -0.060) 4.195 12.414 ( 2.050 -1.214 1.060) 2.607 12.510 ( -0.592 -5.537 0.600) 5.601 12.566 ( -1.996 -3.656 0.042) 4.166 12.717 ( -4.339 5.334 -0.904) 6.935 12.826 ( 0.472 4.663 -0.332) 4.699 12.929 ( 2.015 -3.848 -0.813) 4.419 12.982 ( 3.580 -3.221 0.257) 4.822 13.432 ( -5.799 8.220 -0.489) 10.072 13.437 ( -6.388 9.020 0.107) 11.053 13.716 ( 1.422 -1.328 0.414) 1.990 13.745 ( 2.694 -0.818 -0.304) 2.832 14.132 ( -7.922 5.636 -1.066) 9.780 14.167 ( -4.223 0.926 1.695) 4.644 14.298 ( -3.641 -2.849 -0.320) 4.634 14.341 ( -0.883 -1.587 -0.102) 1.819 14.391 ( -2.267 8.883 -0.105) 9.168 14.556 ( 1.303 9.763 -0.044) 9.850 14.755 ( 4.797 2.267 -1.686) 5.567 14.796 ( 5.100 -1.275 1.193) 5.391 15.104 ( -8.033 -0.667 -0.419) 8.072 15.251 ( -3.054 0.860 -0.534) 3.217 15.345 ( 0.022 -6.544 0.508) 6.564 15.410 ( -4.231 -3.214 -0.383) 5.327 15.540 ( -1.385 -2.141 -0.672) 2.637 15.566 ( 0.816 -4.187 -0.906) 4.361 15.632 ( -0.288 -0.679 0.334) 0.809 15.673 ( -3.429 -0.991 0.444) 3.597 15.947 ( -6.606 1.898 -1.234) 6.983 16.023 ( -6.580 -1.487 -0.971) 6.816 16.119 ( 2.363 2.295 2.099) 3.906 16.251 ( 0.397 -2.805 3.184) 4.262 16.660 ( -0.452 1.615 0.997) 1.951 16.690 ( -1.307 0.816 -1.276) 2.000 16.756 ( 1.124 -1.600 2.090) 2.862 16.792 ( 1.699 -3.272 1.692) 4.057 17.344 ( -0.816 0.741 -0.107) 1.107 17.360 ( -0.345 -0.002 -0.691) 0.773 17.428 ( -0.777 0.877 0.327) 1.216 17.465 ( -0.155 -0.674 -0.461) 0.831 19.900 ( -6.568 2.395 -0.880) 7.046 20.038 ( -2.749 -3.209 -0.557) 4.262 20.173 ( -4.136 1.385 0.057) 4.362 20.243 ( -2.806 -1.660 2.646) 4.199 20.377 ( 2.352 2.207 3.578) 4.817 20.461 ( 3.237 -1.369 1.961) 4.025 20.781 ( 2.860 0.732 0.535) 3.001 20.823 ( 2.490 -0.986 -0.927) 2.834 22.217 ( -7.190 2.848 -1.556) 7.888 22.242 ( -8.856 2.725 -1.218) 9.346 22.363 ( -6.946 -2.148 0.505) 7.288 22.391 ( -8.842 -2.441 0.271) 9.177 22.861 ( 9.872 1.436 0.330) 9.982 22.893 ( 10.974 1.226 -1.791) 11.187 23.002 ( 7.631 -2.434 2.105) 8.282 23.049 ( 8.570 -4.722 -0.204) 9.787 27.082 ( -20.207 2.996 -0.690) 20.440 27.236 ( -25.101 -3.140 -1.393) 25.335 27.296 ( -19.835 7.595 1.119) 21.268 27.885 ( -11.641 -19.696 8.365) 24.360 28.369 ( 21.034 6.097 0.215) 21.901 28.497 ( 20.148 5.625 0.201) 20.920 28.648 ( 16.025 -6.972 -1.118) 17.511 28.857 ( 17.029 -8.685 2.252) 19.248 30.372 ( -11.576 5.722 -0.969) 12.950 30.483 ( -4.854 5.566 1.272) 7.494 30.639 ( -5.703 2.234 -0.230) 6.129 30.761 ( -0.401 -1.449 0.538) 1.597 31.050 ( -8.467 4.457 -1.225) 9.646 31.117 ( -6.373 2.535 1.912) 7.121 31.313 ( -3.946 -7.343 3.198) 8.929 31.372 ( -2.754 -6.859 -1.038) 7.464 31.560 ( 4.364 3.963 -0.279) 5.902 31.738 ( 8.118 -0.547 -0.265) 8.141 31.798 ( 5.459 1.506 1.620) 5.890 31.911 ( 3.147 -0.373 -1.329) 3.437 32.073 ( -1.339 8.979 3.900) 9.881 32.319 ( 0.413 6.024 10.151) 11.811 32.455 ( -5.659 6.541 7.624) 11.530 32.917 ( -3.236 -4.228 4.348) 6.874 32.958 ( -8.738 0.376 -1.638) 8.898 33.005 ( 1.156 -2.368 4.271) 5.018 33.338 ( -8.998 0.621 -0.410) 9.028 33.389 ( -2.970 -1.323 -1.328) 3.512 33.619 ( 0.980 3.205 -0.750) 3.434 33.811 ( 9.369 -4.632 10.081) 14.521 34.007 ( 9.476 0.557 3.829) 10.235 34.040 ( 10.982 -0.840 3.424) 11.534 34.964 ( -0.314 0.730 3.303) 3.398 35.009 ( -0.019 -1.204 1.575) 1.982 35.130 ( -1.917 0.341 -6.110) 6.412 35.134 ( -0.776 0.093 -5.845) 5.897 35.826 ( -2.147 1.409 1.073) 2.784 35.878 ( -0.720 2.864 6.778) 7.393 35.942 ( -1.954 -3.899 3.000) 5.293 35.975 ( -5.562 -0.676 -2.955) 6.334 36.065 ( -1.298 1.183 -0.620) 1.863 36.093 ( -3.830 -1.266 -6.164) 7.366 36.249 ( 4.839 1.518 -15.472) 16.282 36.343 ( 7.535 -2.039 -18.430) 20.015 37.203 ( -16.967 4.728 -2.366) 17.772 37.510 ( -13.864 -8.973 -3.046) 16.794 38.077 ( 16.309 9.238 3.633) 19.092 38.440 ( 18.957 -6.627 1.809) 20.163 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -24.468 12.353 -0.432) 27.412 1.273 ( -23.721 22.550 -2.910) 32.858 1.657 ( -9.834 -12.770 -0.963) 16.146 1.815 ( -26.907 9.139 -1.811) 28.474 1.834 ( -12.697 -1.311 -2.165) 12.946 2.148 ( -10.507 1.110 2.572) 10.874 2.254 ( -3.490 -2.555 0.067) 4.326 2.333 ( 2.255 6.716 0.158) 7.086 2.394 ( 7.138 1.094 6.721) 9.865 2.581 ( 1.612 3.254 -4.051) 5.441 2.636 ( -2.575 -2.897 -5.440) 6.680 2.683 ( 1.893 3.214 -5.737) 6.842 2.830 ( -5.539 -6.514 4.295) 9.569 2.870 ( 3.494 -0.003 3.107) 4.676 2.937 ( -1.636 -1.750 0.834) 2.536 3.032 ( 2.994 -2.317 -1.380) 4.029 3.085 ( 3.383 -2.246 -4.899) 6.363 3.193 ( 4.747 2.291 2.107) 5.676 3.209 ( -2.757 -2.492 -6.590) 7.566 3.265 ( -4.671 7.725 -7.257) 11.582 3.276 ( -1.101 -3.396 4.226) 5.532 3.385 ( -6.711 11.337 8.758) 15.819 3.477 ( 1.996 1.372 2.023) 3.156 3.507 ( -2.904 -0.176 2.185) 3.639 3.522 ( -3.892 0.257 -2.493) 4.629 3.585 ( 3.350 0.229 -0.358) 3.377 3.663 ( -4.067 -4.932 -0.712) 6.432 3.778 ( -3.596 -1.081 -0.369) 3.773 3.856 ( -3.080 -1.742 -0.564) 3.583 3.944 ( -5.782 -0.259 7.012) 9.092 4.010 ( -4.987 6.193 -0.318) 7.958 4.070 ( -2.373 -0.569 0.738) 2.549 4.143 ( -7.389 -3.139 -1.884) 8.246 4.294 ( -5.381 0.689 4.376) 6.970 4.349 ( -6.033 4.620 -1.457) 7.737 4.398 ( -5.000 0.603 1.662) 5.303 4.521 ( -5.366 3.024 -1.115) 6.259 4.556 ( -5.519 2.975 -0.975) 6.345 4.597 ( 1.511 -4.108 1.744) 4.712 4.735 ( 1.775 -5.632 2.084) 6.262 4.863 ( -0.660 -4.656 -4.718) 6.662 4.898 ( 2.117 -4.355 0.038) 4.842 4.961 ( 4.275 -1.837 -6.445) 7.949 4.969 ( 7.085 0.958 2.149) 7.466 5.051 ( 2.676 3.656 0.217) 4.536 5.223 ( 3.186 -2.748 4.160) 5.917 5.292 ( 0.582 0.738 -1.347) 1.643 5.326 ( -1.933 0.517 -2.905) 3.528 5.439 ( -2.284 2.807 2.639) 4.479 5.505 ( -0.844 -2.093 5.002) 5.487 5.572 ( 0.338 -1.108 -0.196) 1.175 5.595 ( -0.469 2.960 -2.612) 3.976 5.688 ( 3.813 -1.101 -3.238) 5.122 5.764 ( 1.229 2.569 -2.007) 3.484 5.857 ( 0.219 3.640 -0.250) 3.655 5.980 ( 2.829 -3.008 1.778) 4.496 6.020 ( 3.250 2.664 5.505) 6.925 6.118 ( 0.154 -7.371 -0.724) 7.408 6.135 ( -0.922 -2.783 -1.882) 3.484 6.303 ( -1.928 -3.059 2.222) 4.244 6.339 ( 0.894 -0.010 -1.650) 1.877 6.389 ( 1.238 -5.883 -2.427) 6.483 6.480 ( 2.914 0.154 2.057) 3.570 6.578 ( -2.828 -0.720 0.651) 2.990 6.645 ( -4.518 3.328 1.517) 5.813 6.722 ( 3.309 -0.986 2.008) 3.994 6.845 ( 1.987 1.314 -1.231) 2.682 6.897 ( 4.169 -0.723 0.833) 4.312 6.982 ( -1.174 2.992 1.273) 3.457 7.042 ( -1.994 0.895 3.131) 3.819 7.207 ( -0.062 -1.684 -1.156) 2.043 7.245 ( -4.429 -1.343 -0.728) 4.685 7.389 ( 1.319 0.613 -3.267) 3.576 7.471 ( 1.171 -1.251 -3.588) 3.976 7.533 ( 1.295 4.957 -0.871) 5.197 7.701 ( 0.201 -2.776 1.031) 2.968 8.277 ( 17.498 4.281 -2.064) 18.132 8.332 ( 18.421 3.376 0.663) 18.740 8.539 ( 16.633 -5.731 -1.435) 17.651 8.592 ( 14.980 -5.015 0.321) 15.800 8.961 ( -0.839 5.276 -1.625) 5.584 9.038 ( 1.694 4.313 -0.277) 4.642 9.172 ( -2.250 -0.290 3.389) 4.078 9.244 ( -2.855 -1.545 0.868) 3.361 9.374 ( -4.160 -1.034 1.309) 4.481 9.395 ( -3.340 -0.725 0.716) 3.492 9.433 ( -3.638 -0.770 -2.834) 4.676 9.464 ( -3.365 -2.718 0.794) 4.398 9.521 ( -4.867 -1.007 -0.619) 5.008 9.548 ( -4.211 -1.291 2.620) 5.125 9.727 ( -5.738 -1.464 1.445) 6.096 9.788 ( -0.788 -4.162 -3.024) 5.205 9.891 ( -3.366 1.940 0.393) 3.905 10.082 ( 3.706 -5.987 -0.367) 7.051 10.174 ( 10.890 4.169 -0.508) 11.672 10.259 ( 11.989 1.344 -0.524) 12.075 10.318 ( 11.453 2.223 -0.838) 11.696 10.461 ( 12.186 -0.134 0.228) 12.189 10.579 ( 8.908 -0.312 -0.125) 8.914 10.689 ( 8.081 -0.840 0.935) 8.179 10.750 ( 6.892 3.037 1.239) 7.633 10.860 ( 5.536 4.157 -0.854) 6.976 10.954 ( 4.313 -4.065 0.109) 5.928 11.088 ( 5.499 -3.174 -0.135) 6.351 11.576 ( -11.836 -1.220 0.183) 11.900 11.597 ( -13.101 0.026 -0.845) 13.128 11.667 ( -6.635 -3.959 0.272) 7.731 11.699 ( -6.261 -2.099 0.666) 6.637 12.070 ( -4.516 2.534 0.502) 5.203 12.216 ( 0.185 2.520 -0.581) 2.593 12.282 ( 0.388 -0.737 -0.128) 0.843 12.297 ( 5.246 5.483 0.738) 7.624 12.404 ( 0.469 -1.450 0.897) 1.768 12.448 ( -0.078 -1.601 0.665) 1.735 12.495 ( 0.231 -1.970 -1.167) 2.301 12.554 ( -0.172 -0.032 -0.540) 0.568 12.658 ( -2.733 6.781 1.188) 7.407 12.810 ( -1.300 6.275 -0.911) 6.472 12.951 ( 1.022 -5.084 0.238) 5.191 13.008 ( 0.214 -2.814 -0.652) 2.896 13.354 ( -3.264 5.579 -0.512) 6.484 13.356 ( -4.040 6.503 0.202) 7.659 13.676 ( -8.487 -6.931 0.847) 10.990 13.739 ( -3.847 -10.298 -0.187) 10.995 14.064 ( 2.055 13.154 -0.813) 13.338 14.146 ( 0.299 2.198 1.219) 2.531 14.250 ( -1.909 -0.663 -0.047) 2.021 14.344 ( 1.833 -0.927 -0.078) 2.055 14.359 ( -1.280 4.965 -0.343) 5.139 14.595 ( 1.443 9.131 1.194) 9.321 14.779 ( 0.025 2.257 -0.629) 2.343 14.810 ( -4.233 -0.111 -0.377) 4.251 14.978 ( -7.972 0.696 -0.065) 8.003 15.164 ( -6.770 3.260 -1.452) 7.653 15.283 ( -9.970 -2.119 0.105) 10.194 15.299 ( -6.484 -3.927 0.085) 7.581 15.488 ( -3.769 -1.189 -0.401) 3.972 15.578 ( -2.706 -3.243 -0.150) 4.226 15.647 ( 2.797 0.448 0.336) 2.852 15.683 ( 5.738 -0.123 -0.287) 5.747 15.854 ( -2.936 0.709 -0.503) 3.062 15.925 ( -2.641 -2.799 -1.239) 4.043 16.206 ( 3.431 -0.045 1.747) 3.850 16.273 ( 1.369 -2.481 -0.409) 2.863 16.637 ( -2.928 0.961 -0.586) 3.136 16.660 ( -1.571 2.487 0.003) 2.942 16.726 ( -3.878 -1.961 0.772) 4.414 16.896 ( 3.400 -8.149 3.337) 9.440 17.337 ( -0.176 0.842 0.236) 0.892 17.355 ( 0.494 -0.051 -0.593) 0.774 17.416 ( -0.835 0.815 -0.021) 1.167 17.450 ( -1.002 -0.881 -0.568) 1.451 19.808 ( -4.458 3.106 0.049) 5.434 19.998 ( -1.145 -4.479 -1.259) 4.791 20.097 ( -5.540 2.300 0.655) 6.034 20.203 ( -5.017 -2.128 1.561) 5.668 20.464 ( 3.201 1.924 2.976) 4.776 20.528 ( 2.664 -0.805 1.142) 3.008 20.819 ( 1.577 0.020 -0.418) 1.631 20.843 ( 1.962 -0.713 -1.533) 2.590 22.081 ( -6.824 2.405 -0.755) 7.274 22.095 ( -6.674 2.539 -2.676) 7.626 22.271 ( -6.755 -1.065 1.074) 6.922 22.288 ( -4.621 -1.384 0.647) 4.868 23.015 ( 8.809 0.811 0.834) 8.885 23.040 ( 10.949 0.319 -3.033) 11.365 23.150 ( 7.850 -3.056 2.624) 8.823 23.177 ( 7.774 -4.329 0.398) 8.907 26.793 ( -16.094 1.512 0.083) 16.165 26.872 ( -20.138 -1.756 0.000) 20.214 26.971 ( -21.814 6.552 -0.226) 22.777 27.673 ( -26.207 -35.622 2.499) 44.294 28.710 ( 20.788 5.025 0.740) 21.399 28.799 ( 19.133 5.879 -1.177) 20.051 28.900 ( 16.469 -3.823 -0.612) 16.918 29.133 ( 16.986 -7.518 0.080) 18.575 30.157 ( -15.010 7.275 -0.092) 16.680 30.416 ( -6.766 0.867 2.114) 7.142 30.549 ( -3.198 10.250 -0.808) 10.768 30.755 ( -0.545 -1.927 0.329) 2.029 30.929 ( -5.377 6.279 -0.953) 8.321 31.052 ( -4.719 2.259 1.666) 5.491 31.225 ( -8.515 -4.220 1.129) 9.570 31.298 ( -5.591 -11.844 -0.966) 13.133 31.609 ( -0.070 3.398 0.628) 3.456 31.823 ( 0.919 -5.875 -1.094) 6.047 31.921 ( 9.259 2.843 -0.370) 9.693 31.969 ( 9.943 2.542 -0.713) 10.288 32.115 ( 2.994 5.493 0.948) 6.327 32.334 ( -0.836 -4.175 2.164) 4.776 32.637 ( 5.237 16.088 4.336) 17.466 32.784 ( -8.267 -0.386 -1.981) 8.510 32.837 ( -6.560 6.380 5.442) 10.647 32.994 ( -10.636 -1.378 1.312) 10.805 33.225 ( -1.975 8.266 1.043) 8.563 33.424 ( 6.247 -1.480 0.002) 6.420 33.681 ( 7.211 9.463 1.734) 12.023 34.147 ( 13.370 -3.838 3.298) 14.296 34.205 ( 12.544 -1.359 2.754) 12.914 34.233 ( 13.616 -2.928 3.223) 14.295 34.985 ( -1.554 0.136 2.422) 2.881 34.997 ( -2.475 -0.323 -4.626) 5.256 35.036 ( -1.254 0.307 -1.460) 1.949 35.045 ( -0.633 -0.051 -8.750) 8.773 35.766 ( -3.388 1.893 -1.983) 4.358 35.838 ( -4.981 -0.482 -2.768) 5.718 35.917 ( -1.919 -0.892 -2.098) 2.980 35.955 ( -0.677 -3.217 -0.825) 3.389 35.997 ( -3.090 0.565 -1.486) 3.475 36.061 ( -1.862 -1.359 -14.653) 14.833 36.147 ( 0.628 3.705 3.908) 5.421 36.259 ( 1.573 -1.780 3.371) 4.124 36.941 ( -14.107 3.648 0.519) 14.580 37.262 ( -16.652 -12.351 4.210) 21.156 38.349 ( 14.664 10.441 0.800) 18.019 38.730 ( 16.294 -6.765 -0.165) 17.643 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -17.057 16.387 18.180) 29.833 0.935 ( -21.580 22.712 13.256) 34.019 1.341 ( -24.415 41.683 2.481) 48.370 1.586 ( -5.011 -15.441 12.914) 20.744 1.814 ( 0.511 -15.375 3.764) 15.837 1.990 ( -11.066 4.005 -0.023) 11.769 2.241 ( -0.889 -3.800 0.917) 4.009 2.366 ( 1.508 8.147 0.390) 8.295 2.549 ( -3.038 6.041 1.751) 6.985 2.570 ( 3.755 -0.579 -4.924) 6.219 2.590 ( 2.724 -3.589 0.490) 4.533 2.710 ( 7.177 0.559 6.918) 9.984 2.811 ( 0.849 -2.725 -0.038) 2.855 2.893 ( -4.997 -0.592 1.842) 5.359 2.925 ( -2.222 -7.854 -1.449) 8.290 2.998 ( -1.316 2.183 -8.110) 8.501 3.077 ( 2.071 -0.751 -3.198) 3.883 3.135 ( 6.883 -1.380 -4.949) 8.589 3.190 ( -0.824 -1.159 0.401) 1.478 3.269 ( 0.589 3.214 2.434) 4.074 3.306 ( 0.229 3.233 1.509) 3.575 3.372 ( -5.479 1.259 5.468) 7.842 3.446 ( 0.294 1.703 4.159) 4.504 3.458 ( -10.572 1.604 0.144) 10.694 3.563 ( 3.882 6.205 1.538) 7.479 3.615 ( 0.392 1.169 3.030) 3.271 3.645 ( 2.219 -1.366 -0.870) 2.748 3.727 ( -4.276 -5.076 -0.122) 6.638 3.795 ( -2.424 0.912 0.712) 2.686 3.884 ( -5.061 3.465 0.067) 6.134 3.949 ( -2.106 -1.248 -2.374) 3.410 4.012 ( -9.140 -0.896 6.743) 11.393 4.083 ( -0.283 5.318 -2.581) 5.918 4.237 ( -5.090 6.472 1.461) 8.362 4.269 ( -1.554 -2.075 -1.547) 3.019 4.383 ( -2.264 -3.278 3.808) 5.511 4.434 ( -5.341 -3.278 -1.583) 6.464 4.486 ( -3.131 -2.294 -0.620) 3.931 4.527 ( -4.189 -2.852 -0.073) 5.068 4.763 ( -0.165 -5.078 -5.815) 7.722 4.849 ( -0.377 -7.462 5.863) 9.497 4.898 ( 1.231 -5.663 3.268) 6.654 5.017 ( 5.475 6.607 -3.366) 9.217 5.095 ( 4.501 0.893 5.207) 6.941 5.123 ( 5.304 0.093 0.306) 5.314 5.225 ( -1.969 2.635 -0.213) 3.296 5.270 ( -1.168 1.177 -0.843) 1.860 5.338 ( 2.411 0.736 0.682) 2.612 5.400 ( -2.450 -0.747 -2.374) 3.492 5.450 ( -5.848 4.989 -0.685) 7.717 5.503 ( -5.581 -1.730 0.117) 5.844 5.601 ( 1.610 -2.039 -3.510) 4.367 5.738 ( 4.794 0.951 -3.396) 5.951 5.806 ( -0.342 2.779 -5.064) 5.787 5.836 ( 7.376 0.299 -0.735) 7.418 5.979 ( 0.711 2.306 -6.925) 7.333 6.089 ( -0.159 -5.441 -2.975) 6.203 6.138 ( 1.937 -2.085 1.029) 3.026 6.166 ( 3.739 -5.712 7.436) 10.095 6.251 ( -7.787 -1.239 -3.145) 8.489 6.299 ( 1.502 -3.661 0.796) 4.037 6.408 ( 3.646 -1.095 -1.496) 4.090 6.503 ( -0.406 -2.007 -2.121) 2.948 6.571 ( -2.164 -0.108 2.183) 3.076 6.623 ( 2.366 4.907 -2.139) 5.852 6.826 ( 5.013 -0.642 4.023) 6.459 6.881 ( 3.641 -0.856 0.048) 3.741 6.918 ( -1.813 -0.110 -1.169) 2.159 6.984 ( -1.524 3.192 2.571) 4.373 7.075 ( -1.175 -2.963 3.501) 4.735 7.169 ( -0.194 0.203 0.418) 0.504 7.194 ( -1.269 -1.927 -2.023) 3.068 7.408 ( 3.040 1.826 0.994) 3.683 7.481 ( 2.935 -1.973 0.430) 3.562 7.567 ( 4.189 4.305 1.168) 6.119 7.686 ( -2.891 -1.694 0.503) 3.388 8.517 ( 14.653 5.615 -0.685) 15.707 8.629 ( 17.841 1.475 -0.050) 17.902 8.770 ( 13.527 -1.910 -1.791) 13.778 8.816 ( 12.031 -2.633 -0.361) 12.321 8.944 ( 0.487 3.270 -0.449) 3.337 9.063 ( 2.054 3.278 -0.525) 3.904 9.164 ( -2.076 -2.710 0.636) 3.473 9.206 ( -4.641 -1.537 2.108) 5.323 9.305 ( -4.520 -1.533 -1.030) 4.883 9.339 ( -2.764 -0.624 -2.312) 3.657 9.365 ( -1.325 -1.052 -1.109) 2.023 9.416 ( -3.768 -3.645 -0.009) 5.242 9.477 ( -0.640 -1.148 -0.251) 1.338 9.508 ( -4.124 -1.345 2.388) 4.952 9.624 ( -7.674 0.033 1.025) 7.743 9.725 ( -3.068 -4.668 -2.808) 6.252 9.870 ( -1.766 3.340 3.203) 4.953 10.124 ( 2.161 -8.378 0.277) 8.657 10.320 ( 5.899 8.009 1.892) 10.125 10.413 ( 7.912 3.318 -0.905) 8.627 10.453 ( 6.967 2.571 0.029) 7.426 10.638 ( 9.037 2.006 -0.778) 9.290 10.719 ( 8.248 -4.539 -0.493) 9.428 10.806 ( 6.929 -1.683 -0.666) 7.161 10.855 ( 5.540 2.429 0.212) 6.053 10.940 ( 5.737 2.813 -2.140) 6.738 11.021 ( 3.376 -0.930 0.958) 3.630 11.170 ( 3.779 -2.422 0.176) 4.492 11.381 ( -12.087 1.484 -0.975) 12.217 11.385 ( -12.397 1.270 0.185) 12.463 11.586 ( -3.143 -8.129 -0.019) 8.715 11.632 ( -2.498 -7.663 0.184) 8.062 12.012 ( -4.363 4.501 1.732) 6.504 12.196 ( -0.087 2.456 -2.413) 3.444 12.277 ( -1.396 -2.800 1.438) 3.443 12.392 ( 2.597 3.231 1.385) 4.371 12.435 ( 1.664 -0.297 -0.833) 1.885 12.443 ( 3.258 0.646 0.748) 3.404 12.499 ( 0.824 3.085 -0.790) 3.289 12.543 ( 0.105 5.703 -0.714) 5.748 12.646 ( -1.912 5.912 1.546) 6.403 12.781 ( 0.333 7.091 -1.583) 7.273 12.956 ( -1.259 -4.207 0.833) 4.470 12.993 ( -0.413 -3.995 -0.774) 4.090 13.306 ( -2.444 4.926 0.290) 5.507 13.332 ( 0.749 -0.105 -0.771) 1.079 13.528 ( -9.414 -3.903 0.634) 10.211 13.586 ( -15.215 -13.476 -1.143) 20.357 14.131 ( 4.862 11.519 -0.728) 12.524 14.203 ( 2.629 5.101 0.297) 5.747 14.239 ( 2.951 3.844 0.859) 4.922 14.361 ( 1.211 -2.405 0.303) 2.710 14.414 ( 7.644 0.040 0.299) 7.650 14.593 ( -4.108 6.045 -0.012) 7.309 14.690 ( -7.814 -0.613 -1.418) 7.966 14.745 ( -4.093 1.038 -0.315) 4.235 14.864 ( -4.308 -0.039 -0.367) 4.324 15.018 ( -8.429 1.215 -2.159) 8.785 15.138 ( -6.742 -2.007 -0.683) 7.067 15.175 ( -8.767 -2.202 -0.780) 9.073 15.351 ( -12.650 3.500 1.182) 13.178 15.581 ( 7.428 4.651 -8.157) 11.972 15.704 ( 4.242 0.701 -1.579) 4.581 15.779 ( 6.237 1.099 0.242) 6.338 15.854 ( 1.859 -0.429 0.343) 1.938 15.913 ( 1.208 -3.684 -0.700) 3.940 16.164 ( -4.318 3.900 -8.745) 10.504 16.322 ( 4.874 -2.936 -3.101) 6.480 16.593 ( -2.257 1.063 0.471) 2.539 16.614 ( -2.876 1.776 -0.964) 3.515 16.681 ( -3.158 -1.477 1.491) 3.792 16.843 ( -10.871 -8.845 -7.142) 15.730 17.343 ( 0.266 0.901 0.419) 1.028 17.357 ( 0.433 -0.047 -0.319) 0.540 17.404 ( -0.540 0.461 -0.189) 0.735 17.424 ( -0.788 -0.501 -0.637) 1.130 19.766 ( -2.035 2.199 1.360) 3.290 19.962 ( -0.779 -2.405 -3.160) 4.047 20.037 ( -2.817 -0.850 1.155) 3.161 20.129 ( -3.883 -2.289 -1.596) 4.782 20.525 ( 0.523 1.240 2.131) 2.521 20.565 ( 0.825 -0.527 0.770) 1.246 20.819 ( 0.186 0.551 -0.936) 1.102 20.853 ( 1.707 -0.588 -1.679) 2.465 21.988 ( -3.592 2.603 -1.182) 4.591 22.037 ( -0.174 -0.381 3.084) 3.112 22.192 ( -4.536 0.274 0.863) 4.626 22.239 ( -2.582 -1.509 0.222) 2.999 23.119 ( 3.105 -1.713 0.033) 3.546 23.150 ( 8.190 -1.146 -4.519) 9.424 23.300 ( 8.202 -0.926 2.235) 8.551 23.316 ( 6.248 -1.005 3.794) 7.379 26.596 ( -9.189 0.546 0.176) 9.207 26.624 ( -11.730 -0.558 0.288) 11.746 26.662 ( -15.271 2.801 -0.535) 15.535 27.052 ( -45.041 -28.702 -9.756) 54.293 28.979 ( 12.198 2.726 0.204) 12.501 29.060 ( 12.959 1.753 1.265) 13.138 29.124 ( 13.616 1.558 -0.739) 13.725 29.375 ( 13.814 -6.143 -1.227) 15.168 29.923 ( -14.996 8.930 1.262) 17.499 30.301 ( -10.311 -6.483 3.279) 12.613 30.582 ( 9.929 16.824 -5.020) 20.170 30.755 ( -0.088 -1.158 0.128) 1.168 30.859 ( -1.852 5.468 -1.680) 6.013 30.999 ( -3.617 1.931 -0.519) 4.133 31.119 ( -5.418 -3.158 -0.000) 6.271 31.161 ( -9.398 -10.725 -2.252) 14.437 31.581 ( -3.177 4.116 0.552) 5.229 31.799 ( -1.573 -4.538 0.472) 4.826 32.060 ( 9.607 2.437 -0.233) 9.914 32.167 ( 12.924 -1.407 -0.075) 13.001 32.194 ( 5.642 3.403 0.005) 6.589 32.360 ( 1.337 -3.607 -0.702) 3.910 32.533 ( -1.764 13.368 -20.885) 24.860 32.659 ( -5.336 -0.260 -0.303) 5.351 32.743 ( -9.563 5.225 -4.646) 11.847 32.795 ( -13.451 -0.200 -0.833) 13.478 33.227 ( 8.785 23.973 -29.816) 39.254 33.518 ( 4.454 -2.323 -0.940) 5.110 33.827 ( 13.310 19.950 -21.371) 32.123 34.248 ( 5.228 0.077 -6.158) 8.078 34.309 ( 4.862 -0.614 -3.554) 6.054 34.436 ( 14.223 -4.610 -29.379) 32.965 34.908 ( -0.215 0.182 0.891) 0.935 34.930 ( 2.400 -0.940 0.404) 2.609 35.006 ( -0.966 1.067 2.822) 3.168 35.040 ( -1.512 -0.518 4.166) 4.462 35.686 ( -5.497 1.270 -6.812) 8.845 35.710 ( -3.450 2.140 -4.158) 5.812 35.755 ( -2.847 -1.295 -1.752) 3.585 35.809 ( -6.760 -1.876 -4.246) 8.200 35.954 ( -0.928 0.289 3.748) 3.872 36.007 ( -0.238 -2.826 4.117) 4.999 36.352 ( 1.532 6.299 27.794) 28.540 36.573 ( 8.898 -3.057 18.264) 20.544 36.787 ( -8.734 2.409 3.091) 9.573 37.275 ( -8.466 -30.590 50.057) 59.272 38.541 ( 11.707 10.537 -3.175) 16.068 38.921 ( 9.665 -7.158 -2.434) 12.271 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.052 -27.549 5.153) 28.047 1.284 ( -1.052 27.549 5.153) 28.047 1.488 ( -0.751 -15.824 32.342) 36.013 1.488 ( -0.751 15.824 32.342) 36.013 2.024 ( 4.781 -15.684 -7.216) 17.914 2.024 ( 4.781 15.684 -7.216) 17.914 2.110 ( -3.182 -27.571 0.647) 27.761 2.110 ( -3.182 27.571 0.647) 27.761 2.549 ( -4.503 -3.739 -6.243) 8.558 2.549 ( -4.503 3.739 -6.243) 8.558 2.674 ( 4.407 -5.334 3.136) 7.597 2.674 ( 4.407 5.334 3.136) 7.597 2.829 ( -1.785 -1.279 6.008) 6.396 2.829 ( -1.785 1.279 6.008) 6.396 3.008 ( 4.716 -3.369 4.196) 7.155 3.008 ( 4.716 3.369 4.196) 7.155 3.113 ( 0.287 -1.986 -2.471) 3.183 3.113 ( 0.287 1.986 -2.471) 3.183 3.228 ( -4.587 -7.237 1.911) 8.779 3.228 ( -4.587 7.237 1.911) 8.779 3.404 ( 4.445 -2.302 -0.520) 5.033 3.404 ( 4.445 2.302 -0.520) 5.033 3.464 ( -1.094 -1.493 2.726) 3.295 3.464 ( -1.094 1.493 2.726) 3.295 3.565 ( 2.800 -2.964 3.706) 5.510 3.565 ( 2.800 2.964 3.706) 5.510 3.658 ( -3.016 -2.610 -3.040) 5.015 3.658 ( -3.016 2.610 -3.040) 5.015 3.834 ( -4.652 -5.159 2.580) 7.410 3.834 ( -4.652 5.159 2.580) 7.410 4.052 ( -4.885 -7.667 0.443) 9.101 4.052 ( -4.885 7.667 0.443) 9.101 4.089 ( -0.653 -10.705 -0.984) 10.770 4.089 ( -0.653 10.705 -0.984) 10.770 4.269 ( 2.362 -4.863 -3.368) 6.370 4.269 ( 2.362 4.863 -3.368) 6.370 4.463 ( 1.525 -2.345 1.743) 3.296 4.463 ( 1.525 2.345 1.743) 3.296 4.601 ( 1.564 -2.000 7.590) 8.003 4.601 ( 1.564 2.000 7.590) 8.003 4.836 ( -0.552 -2.601 0.137) 2.663 4.836 ( -0.552 2.601 0.137) 2.663 5.100 ( 0.411 -4.784 -3.940) 6.211 5.100 ( 0.411 4.784 -3.940) 6.211 5.229 ( 5.621 -0.626 -0.204) 5.660 5.229 ( 5.621 0.626 -0.204) 5.660 5.319 ( -1.954 -2.009 3.490) 4.476 5.319 ( -1.954 2.009 3.490) 4.476 5.411 ( -3.390 -1.373 -3.316) 4.936 5.411 ( -3.390 1.373 -3.316) 4.936 5.527 ( 0.659 -5.887 2.685) 6.504 5.527 ( 0.659 5.887 2.685) 6.504 5.757 ( 0.287 -5.490 -3.933) 6.760 5.757 ( 0.287 5.490 -3.933) 6.760 5.890 ( 4.716 -1.142 -8.124) 9.462 5.890 ( 4.716 1.142 -8.124) 9.462 6.034 ( -5.389 -2.127 -3.595) 6.818 6.034 ( -5.389 2.127 -3.595) 6.818 6.127 ( 1.615 -7.944 -0.558) 8.126 6.127 ( 1.615 7.944 -0.558) 8.126 6.291 ( -1.357 -5.810 -4.023) 7.196 6.291 ( -1.357 5.810 -4.023) 7.196 6.525 ( 0.072 -3.253 -1.494) 3.580 6.525 ( 0.072 3.253 -1.494) 3.580 6.701 ( -0.972 -7.654 -5.684) 9.583 6.701 ( -0.972 7.654 -5.684) 9.583 6.912 ( -1.818 -1.860 0.446) 2.639 6.912 ( -1.818 1.860 0.446) 2.639 7.025 ( -0.567 -2.082 4.400) 4.900 7.025 ( -0.567 2.082 4.400) 4.900 7.206 ( 2.220 -1.647 1.890) 3.349 7.206 ( 2.220 1.647 1.890) 3.349 7.515 ( 2.186 -0.824 2.989) 3.794 7.515 ( 2.186 0.824 2.989) 3.794 7.646 ( -0.254 -1.495 0.647) 1.648 7.646 ( -0.254 1.495 0.647) 1.648 8.767 ( -0.560 -5.520 0.401) 5.562 8.767 ( -0.560 5.520 0.401) 5.562 8.892 ( 1.311 -3.921 -2.241) 4.703 8.892 ( 1.311 3.921 -2.241) 4.703 9.083 ( 2.299 -2.377 -0.014) 3.307 9.083 ( 2.299 2.377 -0.014) 3.307 9.112 ( -1.484 -7.130 -0.182) 7.285 9.112 ( -1.484 7.130 -0.182) 7.285 9.243 ( -0.393 -5.020 -0.283) 5.043 9.243 ( -0.393 5.020 -0.283) 5.043 9.288 ( -0.800 -1.280 -2.744) 3.132 9.288 ( -0.800 1.280 -2.744) 3.132 9.462 ( -1.814 -1.223 1.435) 2.616 9.462 ( -1.814 1.223 1.435) 2.616 9.611 ( 1.413 -3.390 -0.985) 3.803 9.611 ( 1.413 3.390 -0.985) 3.803 9.988 ( -0.240 -7.150 3.385) 7.915 9.988 ( -0.240 7.150 3.385) 7.915 10.518 ( 1.240 -1.463 -1.941) 2.729 10.518 ( 1.240 1.463 -1.941) 2.729 10.623 ( -1.460 -10.806 1.678) 11.033 10.623 ( -1.460 10.806 1.678) 11.033 10.784 ( 0.689 -5.273 -1.622) 5.560 10.784 ( 0.689 5.273 -1.622) 5.560 10.964 ( 0.585 -3.191 0.121) 3.246 10.964 ( 0.585 3.191 0.121) 3.246 11.109 ( -1.308 -5.291 -1.410) 5.630 11.109 ( -1.308 5.291 -1.410) 5.630 11.359 ( 0.321 -2.394 -1.166) 2.682 11.359 ( 0.321 2.394 -1.166) 2.682 11.418 ( 0.124 -4.066 0.624) 4.115 11.418 ( 0.124 4.066 0.624) 4.115 12.113 ( -0.799 -6.759 0.910) 6.866 12.113 ( -0.799 6.759 0.910) 6.866 12.310 ( 0.174 -4.808 -1.343) 4.995 12.310 ( 0.174 4.808 -1.343) 4.995 12.510 ( -0.612 -1.515 0.917) 1.874 12.510 ( -0.612 1.515 0.917) 1.874 12.587 ( 0.040 -2.658 -1.057) 2.860 12.587 ( 0.040 2.658 -1.057) 2.860 12.803 ( -0.244 -9.235 1.390) 9.342 12.803 ( -0.244 9.235 1.390) 9.342 12.892 ( 1.379 -4.913 -0.434) 5.121 12.892 ( 1.379 4.913 -0.434) 5.121 13.339 ( 0.500 -0.738 -0.124) 0.900 13.339 ( 0.500 0.738 -0.124) 0.900 13.394 ( -0.577 -2.952 0.670) 3.081 13.394 ( -0.577 2.952 0.670) 3.081 14.289 ( -0.243 -3.392 0.295) 3.413 14.289 ( -0.243 3.392 0.295) 3.413 14.342 ( 1.753 -5.947 -1.062) 6.291 14.342 ( 1.753 5.947 -1.062) 6.291 14.545 ( -4.057 -7.379 1.785) 8.608 14.545 ( -4.057 7.379 1.785) 8.608 14.663 ( 2.784 -2.037 0.244) 3.458 14.663 ( 2.784 2.037 0.244) 3.458 14.842 ( 0.364 -4.369 0.776) 4.452 14.842 ( 0.364 4.369 0.776) 4.452 15.049 ( 1.084 -4.647 -4.050) 6.259 15.049 ( 1.084 4.647 -4.050) 6.259 15.449 ( -1.367 -15.520 3.294) 15.924 15.449 ( -1.367 15.520 3.294) 15.924 15.844 ( -1.617 -0.781 -1.603) 2.407 15.844 ( -1.617 0.781 -1.603) 2.407 15.893 ( 5.476 -0.664 -0.312) 5.525 15.893 ( 5.476 0.664 -0.312) 5.525 16.161 ( -2.604 -12.777 -12.149) 17.822 16.161 ( -2.604 12.777 -12.149) 17.822 16.588 ( -2.532 -0.946 -0.143) 2.707 16.588 ( -2.532 0.946 -0.143) 2.707 16.632 ( 0.772 -2.263 0.315) 2.412 16.632 ( 0.772 2.263 0.315) 2.412 17.365 ( 0.167 -0.323 0.664) 0.757 17.365 ( 0.167 0.323 0.664) 0.757 17.410 ( 0.316 -0.703 -0.232) 0.805 17.410 ( 0.316 0.703 -0.232) 0.805 19.844 ( 0.471 -6.015 -1.029) 6.120 19.844 ( 0.471 6.015 -1.029) 6.120 20.021 ( -0.576 -2.475 -1.377) 2.890 20.021 ( -0.576 2.475 -1.377) 2.890 20.557 ( -1.233 -1.357 1.518) 2.380 20.557 ( -1.233 1.357 1.518) 2.380 20.836 ( 0.899 -1.127 -1.332) 1.962 20.836 ( 0.899 1.127 -1.332) 1.962 22.024 ( 1.171 -3.306 2.114) 4.096 22.024 ( 1.171 3.306 2.114) 4.096 22.177 ( -0.916 -1.920 -0.250) 2.142 22.177 ( -0.916 1.920 -0.250) 2.142 23.138 ( 1.068 -1.969 -3.502) 4.157 23.138 ( 1.068 1.969 -3.502) 4.157 23.394 ( -1.359 -0.133 2.280) 2.658 23.394 ( -1.359 0.133 2.280) 2.658 26.522 ( -0.068 -0.125 -0.299) 0.331 26.522 ( -0.068 0.125 -0.299) 0.331 26.555 ( 0.395 -0.197 0.210) 0.489 26.555 ( 0.395 0.197 0.210) 0.489 29.130 ( -0.180 -2.221 2.140) 3.089 29.130 ( -0.180 2.221 2.140) 3.089 29.366 ( 0.902 -5.735 -2.247) 6.225 29.366 ( 0.902 5.735 -2.247) 6.225 30.044 ( -1.176 -13.117 5.436) 14.247 30.044 ( -1.176 13.117 5.436) 14.247 30.722 ( -1.002 -2.322 -3.129) 4.024 30.722 ( -1.002 2.322 -3.129) 4.024 30.906 ( 0.815 -2.968 -3.504) 4.664 30.906 ( 0.815 2.968 -3.504) 4.664 31.046 ( 0.115 -1.608 1.058) 1.928 31.046 ( 0.115 1.608 1.058) 1.928 31.684 ( 0.231 -7.587 1.748) 7.789 31.684 ( 0.231 7.587 1.748) 7.789 32.228 ( -0.315 -3.028 0.291) 3.058 32.228 ( -0.315 3.028 0.291) 3.058 32.294 ( 0.594 -2.766 -0.669) 2.907 32.294 ( 0.594 2.766 -0.669) 2.907 32.562 ( 3.659 -7.360 -13.697) 15.974 32.562 ( 3.659 7.360 -13.697) 15.974 32.616 ( -4.531 -0.805 1.493) 4.838 32.616 ( -4.531 0.805 1.493) 4.838 33.295 ( -0.411 -15.961 -29.874) 33.873 33.295 ( -0.411 15.961 -29.874) 33.873 33.880 ( -1.500 -9.768 -20.189) 22.478 33.880 ( -1.500 9.768 -20.189) 22.478 34.258 ( 0.014 -1.657 -8.278) 8.442 34.258 ( 0.014 1.657 -8.278) 8.442 34.994 ( 0.788 -0.392 3.315) 3.430 34.994 ( 0.788 0.392 3.315) 3.430 35.080 ( 3.037 -0.175 2.931) 4.224 35.080 ( 3.037 0.175 2.931) 4.224 35.667 ( 0.817 -3.052 -1.055) 3.331 35.667 ( 0.817 3.052 -1.055) 3.331 35.714 ( 0.980 -1.821 -1.564) 2.593 35.714 ( 0.980 1.821 -1.564) 2.593 36.038 ( 0.640 -1.526 7.892) 8.064 36.038 ( 0.640 1.526 7.892) 8.064 36.642 ( 0.528 -1.433 -4.929) 5.160 36.642 ( 0.528 1.433 -4.929) 5.160 37.202 ( -3.641 -25.648 48.572) 55.049 37.202 ( -3.641 25.648 48.572) 55.049 38.765 ( 0.158 -11.012 -6.759) 12.921 38.765 ( 0.158 11.012 -6.759) 12.921 ======================= Grid point 65 (35/69) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 6.853 -20.337 6.240) 22.349 1.363 ( 6.853 20.337 6.240) 22.349 1.851 ( 4.701 -14.265 15.043) 21.257 1.851 ( 4.701 14.265 15.043) 21.257 2.026 ( 7.102 -12.077 -5.567) 15.075 2.026 ( 7.102 12.077 -5.567) 15.075 2.192 ( 6.171 -6.726 4.902) 10.361 2.192 ( 6.171 6.726 4.902) 10.361 2.485 ( -1.848 -8.294 5.651) 10.205 2.485 ( -1.848 8.294 5.651) 10.205 2.781 ( 0.751 -0.552 3.067) 3.206 2.781 ( 0.751 0.552 3.067) 3.206 2.836 ( 0.218 -2.419 3.678) 4.408 2.836 ( 0.218 2.419 3.678) 4.408 3.012 ( -5.514 -1.392 -2.062) 6.050 3.012 ( -5.514 1.392 -2.062) 6.050 3.132 ( 1.988 -1.453 3.230) 4.062 3.132 ( 1.988 1.453 3.230) 4.062 3.221 ( 2.757 -8.323 2.417) 9.095 3.221 ( 2.757 8.323 2.417) 9.095 3.418 ( -3.542 -2.310 -3.771) 5.666 3.418 ( -3.542 2.310 -3.771) 5.666 3.506 ( 2.369 -1.231 5.545) 6.155 3.506 ( 2.369 1.231 5.545) 6.155 3.577 ( 3.504 -0.921 -7.706) 8.515 3.577 ( 3.504 0.921 -7.706) 8.515 3.728 ( 7.391 -3.749 4.917) 9.636 3.728 ( 7.391 3.749 4.917) 9.636 3.836 ( 3.152 -6.161 4.197) 8.094 3.836 ( 3.152 6.161 4.197) 8.094 3.986 ( -4.762 -4.886 1.649) 7.019 3.986 ( -4.762 4.886 1.649) 7.019 4.060 ( 0.351 -5.904 -1.450) 6.089 4.060 ( 0.351 5.904 -1.450) 6.089 4.270 ( 3.581 -4.683 -6.108) 8.489 4.270 ( 3.581 4.683 -6.108) 8.489 4.535 ( 2.530 -7.221 1.634) 7.824 4.535 ( 2.530 7.221 1.634) 7.824 4.718 ( 2.157 -4.984 6.698) 8.623 4.718 ( 2.157 4.984 6.698) 8.623 4.802 ( -0.357 -4.797 -2.496) 5.419 4.802 ( -0.357 4.797 -2.496) 5.419 5.081 ( -1.788 -3.519 1.054) 4.086 5.081 ( -1.788 3.519 1.054) 4.086 5.225 ( -2.022 -3.143 -4.855) 6.127 5.225 ( -2.022 3.143 -4.855) 6.127 5.309 ( -3.149 -4.999 1.975) 6.229 5.309 ( -3.149 4.999 1.975) 6.229 5.405 ( 5.280 -1.445 -0.636) 5.511 5.405 ( 5.280 1.445 -0.636) 5.511 5.567 ( -0.456 -4.223 3.433) 5.462 5.567 ( -0.456 4.223 3.433) 5.462 5.659 ( -0.030 -5.392 -14.089) 15.085 5.659 ( -0.030 5.392 -14.089) 15.085 5.851 ( -1.582 -5.081 -0.981) 5.411 5.851 ( -1.582 5.081 -0.981) 5.411 5.960 ( -2.807 -7.297 0.085) 7.818 5.960 ( -2.807 7.297 0.085) 7.818 6.125 ( 3.394 -3.376 -4.389) 6.494 6.125 ( 3.394 3.376 -4.389) 6.494 6.263 ( -0.515 -2.788 0.710) 2.923 6.263 ( -0.515 2.788 0.710) 2.923 6.463 ( -2.729 -3.721 -6.413) 7.901 6.463 ( -2.729 3.721 -6.413) 7.901 6.670 ( 3.059 -3.674 0.152) 4.784 6.670 ( 3.059 3.674 0.152) 4.784 6.879 ( -2.024 -3.874 0.809) 4.445 6.879 ( -2.024 3.874 0.809) 4.445 7.082 ( 0.442 -2.374 4.181) 4.828 7.082 ( 0.442 2.374 4.181) 4.828 7.239 ( 0.254 -2.324 -0.158) 2.343 7.239 ( 0.254 2.324 -0.158) 2.343 7.557 ( -1.864 -0.874 2.364) 3.135 7.557 ( -1.864 0.874 2.364) 3.135 7.646 ( -0.185 -3.058 0.364) 3.085 7.646 ( -0.185 3.058 0.364) 3.085 8.638 ( -14.718 -1.276 0.287) 14.776 8.638 ( -14.718 1.276 0.287) 14.776 8.732 ( -14.962 -4.054 -1.322) 15.558 8.732 ( -14.962 4.054 -1.322) 15.558 9.054 ( -1.093 -3.324 -1.488) 3.802 9.054 ( -1.093 3.324 -1.488) 3.802 9.167 ( 2.287 -3.896 0.354) 4.531 9.167 ( 2.287 3.896 0.354) 4.531 9.272 ( 3.349 -1.242 -1.478) 3.866 9.272 ( 3.349 1.242 -1.478) 3.866 9.296 ( 5.061 -3.532 -1.148) 6.278 9.296 ( 5.061 3.532 -1.148) 6.278 9.478 ( 2.270 -2.036 1.524) 3.409 9.478 ( 2.270 2.036 1.524) 3.409 9.651 ( 4.327 -4.994 -1.206) 6.717 9.651 ( 4.327 4.994 -1.206) 6.717 10.035 ( 0.570 -6.251 3.904) 7.392 10.035 ( 0.570 6.251 3.904) 7.392 10.436 ( -7.019 -1.907 -2.427) 7.668 10.436 ( -7.019 1.907 -2.427) 7.668 10.561 ( -8.896 -7.943 1.904) 12.077 10.561 ( -8.896 7.943 1.904) 12.077 10.715 ( -6.271 -2.707 -1.901) 7.090 10.715 ( -6.271 2.707 -1.901) 7.090 10.926 ( -5.675 -5.192 0.335) 7.699 10.926 ( -5.675 5.192 0.335) 7.699 11.051 ( -4.166 -5.288 -0.759) 6.775 11.051 ( -4.166 5.288 -0.759) 6.775 11.424 ( 8.825 -2.292 -0.994) 9.172 11.424 ( 8.825 2.292 -0.994) 9.172 11.491 ( 8.053 -2.956 0.557) 8.596 11.491 ( 8.053 2.956 0.557) 8.596 12.142 ( 2.762 -7.039 1.315) 7.675 12.142 ( 2.762 7.039 1.315) 7.675 12.305 ( 0.737 -5.149 -1.254) 5.350 12.305 ( 0.737 5.149 -1.254) 5.350 12.477 ( -4.226 -1.065 0.871) 4.445 12.477 ( -4.226 1.065 0.871) 4.445 12.549 ( -3.056 -2.714 -0.892) 4.184 12.549 ( -3.056 2.714 -0.892) 4.184 12.808 ( 0.191 -8.453 0.687) 8.483 12.808 ( 0.191 8.453 0.687) 8.483 12.919 ( 1.348 -6.430 -0.449) 6.585 12.919 ( 1.348 6.430 -0.449) 6.585 13.395 ( 6.162 -2.368 -0.537) 6.623 13.395 ( 6.162 2.368 -0.537) 6.623 13.440 ( 5.212 -4.021 0.810) 6.632 13.440 ( 5.212 4.021 0.810) 6.632 14.252 ( -3.444 -0.775 0.184) 3.535 14.252 ( -3.444 0.775 0.184) 3.535 14.342 ( -4.378 -2.578 -0.487) 5.104 14.342 ( -4.378 2.578 -0.487) 5.104 14.515 ( 4.121 -9.739 1.362) 10.662 14.515 ( 4.121 9.739 1.362) 10.662 14.730 ( 3.506 -4.037 0.436) 5.365 14.730 ( 3.506 4.037 0.436) 5.365 14.970 ( 11.037 -7.157 0.887) 13.184 14.970 ( 11.037 7.157 0.887) 13.184 15.100 ( 10.650 -3.663 -3.460) 11.782 15.100 ( 10.650 3.663 -3.460) 11.782 15.486 ( 0.639 -14.384 2.611) 14.634 15.486 ( 0.639 14.384 2.611) 14.634 15.761 ( -6.638 -4.664 -2.457) 8.476 15.761 ( -6.638 4.664 -2.457) 8.476 15.922 ( -2.442 -1.881 1.819) 3.579 15.922 ( -2.442 1.881 1.819) 3.579 16.011 ( 3.276 -11.513 -9.644) 15.372 16.011 ( 3.276 11.513 -9.644) 15.372 16.600 ( 3.263 -1.026 0.273) 3.432 16.600 ( 3.263 1.026 0.273) 3.432 16.669 ( 2.853 -1.467 -0.281) 3.221 16.669 ( 2.853 1.467 -0.281) 3.221 17.371 ( -0.375 -0.365 0.584) 0.784 17.371 ( -0.375 0.365 0.584) 0.784 17.414 ( 0.740 -1.157 -0.512) 1.466 17.414 ( 0.740 1.157 -0.512) 1.466 19.848 ( 1.749 -4.663 -1.168) 5.115 19.848 ( 1.749 4.663 -1.168) 5.115 20.023 ( 2.388 -1.587 -0.805) 2.978 20.023 ( 2.388 1.587 -0.805) 2.978 20.545 ( -2.863 -2.014 1.694) 3.889 20.545 ( -2.863 2.014 1.694) 3.889 20.829 ( 0.220 -1.252 -1.608) 2.050 20.829 ( 0.220 1.252 -1.608) 2.050 22.094 ( 4.689 -3.233 1.572) 5.908 22.094 ( 4.689 3.233 1.572) 5.908 22.176 ( 1.491 -2.477 -0.323) 2.909 22.176 ( 1.491 2.477 -0.323) 2.909 23.081 ( -3.355 -2.050 -2.772) 4.811 23.081 ( -3.355 2.050 -2.772) 4.811 23.328 ( -9.419 -0.303 2.504) 9.751 23.328 ( -9.419 0.303 2.504) 9.751 26.613 ( 11.417 -0.838 0.403) 11.455 26.613 ( 11.417 0.838 0.403) 11.455 26.716 ( 18.703 -3.824 -2.184) 19.215 26.716 ( 18.703 3.824 -2.184) 19.215 29.069 ( -11.032 -3.581 2.179) 11.801 29.069 ( -11.032 3.581 2.179) 11.801 29.216 ( -14.630 -5.440 -1.966) 15.732 29.216 ( -14.630 5.440 -1.966) 15.732 30.199 ( 9.858 -11.026 6.035) 15.975 30.199 ( 9.858 11.026 6.035) 15.975 30.647 ( -0.479 -6.333 -5.326) 8.289 30.647 ( -0.479 6.333 -5.326) 8.289 30.925 ( 4.504 -2.409 -1.855) 5.434 30.925 ( 4.504 2.409 -1.855) 5.434 31.084 ( 3.639 -3.146 0.385) 4.826 31.084 ( 3.639 3.146 0.385) 4.826 31.737 ( 2.330 -9.260 3.583) 10.199 31.737 ( 2.330 9.260 3.583) 10.199 32.141 ( -7.721 -0.601 -1.345) 7.860 32.141 ( -7.721 0.601 -1.345) 7.860 32.203 ( -6.939 -6.074 -4.605) 10.308 32.203 ( -6.939 6.074 -4.605) 10.308 32.420 ( 1.606 -15.678 -19.313) 24.927 32.420 ( 1.606 15.678 -19.313) 24.927 32.689 ( 9.715 -2.232 1.572) 10.091 32.689 ( 9.715 2.232 1.572) 10.091 33.057 ( 6.550 -6.601 -12.355) 15.464 33.057 ( 6.550 6.601 -12.355) 15.464 33.777 ( -2.383 -1.729 0.824) 3.057 33.777 ( -2.383 1.729 0.824) 3.057 34.134 ( -3.679 -1.948 -7.976) 8.997 34.134 ( -3.679 1.948 -7.976) 8.997 35.011 ( -1.943 -1.975 1.914) 3.367 35.011 ( -1.943 1.975 1.914) 3.367 35.158 ( 2.902 -0.872 2.467) 3.908 35.158 ( 2.902 0.872 2.467) 3.908 35.681 ( 3.468 -3.468 -2.997) 5.748 35.681 ( 3.468 3.468 -2.997) 5.748 35.740 ( 4.250 -1.845 -1.495) 4.869 35.740 ( 4.250 1.845 -1.495) 4.869 36.160 ( 1.451 -1.277 10.488) 10.665 36.160 ( 1.451 1.277 10.488) 10.665 36.565 ( -0.101 -1.168 -7.588) 7.678 36.565 ( -0.101 1.168 -7.588) 7.678 37.592 ( -6.564 -21.621 32.686) 39.735 37.592 ( -6.564 21.621 32.686) 39.735 38.602 ( -9.030 -12.349 -8.977) 17.737 38.602 ( -9.030 12.349 -8.977) 17.737 ======================= Grid point 67 (36/69) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 17.089 -7.486 9.466) 20.920 1.652 ( 17.089 7.486 9.466) 20.920 1.940 ( 4.434 -7.799 -5.886) 10.730 1.940 ( 4.434 7.799 -5.886) 10.730 2.120 ( 4.056 -3.836 -2.813) 6.251 2.120 ( 4.056 3.836 -2.813) 6.251 2.279 ( 3.221 -6.889 0.952) 7.665 2.279 ( 3.221 6.889 0.952) 7.665 2.537 ( -0.594 -3.859 4.379) 5.867 2.537 ( -0.594 3.859 4.379) 5.867 2.757 ( -4.352 -5.457 2.439) 7.394 2.757 ( -4.352 5.457 2.439) 7.394 2.947 ( 1.758 -6.822 -0.382) 7.055 2.947 ( 1.758 6.822 -0.382) 7.055 2.985 ( 2.729 -4.038 8.917) 10.162 2.985 ( 2.729 4.038 8.917) 10.162 3.181 ( 0.761 -3.214 0.898) 3.423 3.181 ( 0.761 3.214 0.898) 3.423 3.279 ( -0.270 -5.702 -2.496) 6.230 3.279 ( -0.270 5.702 -2.496) 6.230 3.399 ( 5.656 -4.002 7.401) 10.138 3.399 ( 5.656 4.002 7.401) 10.138 3.519 ( 3.937 -2.221 -4.875) 6.648 3.519 ( 3.937 2.221 -4.875) 6.648 3.660 ( 6.133 -3.192 0.314) 6.921 3.660 ( 6.133 3.192 0.314) 6.921 3.859 ( 3.400 -2.262 1.105) 4.231 3.859 ( 3.400 2.262 1.105) 4.231 3.963 ( 2.693 -6.461 4.640) 8.398 3.963 ( 2.693 6.461 4.640) 8.398 3.999 ( 4.744 -2.987 1.341) 5.764 3.999 ( 4.744 2.987 1.341) 5.764 4.068 ( 5.503 -6.879 -3.199) 9.372 4.068 ( 5.503 6.879 -3.199) 9.372 4.254 ( 3.153 -4.798 -4.097) 7.053 4.254 ( 3.153 4.798 -4.097) 7.053 4.559 ( 0.389 -6.369 0.653) 6.414 4.559 ( 0.389 6.369 0.653) 6.414 4.765 ( -2.183 -4.362 1.046) 4.989 4.765 ( -2.183 4.362 1.046) 4.989 4.806 ( 0.794 -5.654 -0.552) 5.736 4.806 ( 0.794 5.654 -0.552) 5.736 5.035 ( -4.118 -1.753 1.494) 4.718 5.035 ( -4.118 1.753 1.494) 4.718 5.188 ( 2.213 -3.966 -0.479) 4.567 5.188 ( 2.213 3.966 -0.479) 4.567 5.280 ( -2.772 -4.540 0.744) 5.371 5.280 ( -2.772 4.540 0.744) 5.371 5.415 ( -4.438 -3.018 0.669) 5.409 5.415 ( -4.438 3.018 0.669) 5.409 5.512 ( 1.087 -0.675 -8.716) 8.809 5.512 ( 1.087 0.675 -8.716) 8.809 5.644 ( 5.650 -4.488 1.136) 7.305 5.644 ( 5.650 4.488 1.136) 7.305 5.807 ( -3.531 -0.201 0.915) 3.653 5.807 ( -3.531 0.201 0.915) 3.653 5.922 ( -3.908 -5.688 -0.865) 6.955 5.922 ( -3.908 5.688 -0.865) 6.955 6.119 ( 3.500 -4.122 -7.791) 9.484 6.119 ( 3.500 4.122 -7.791) 9.484 6.246 ( -2.694 -4.131 2.868) 5.705 6.246 ( -2.694 4.131 2.868) 5.705 6.383 ( -0.522 -3.380 -1.514) 3.740 6.383 ( -0.522 3.380 -1.514) 3.740 6.768 ( 5.251 -1.750 1.420) 5.714 6.768 ( 5.251 1.750 1.420) 5.714 6.897 ( 2.603 -3.621 4.020) 6.004 6.897 ( 2.603 3.621 4.020) 6.004 7.111 ( -1.379 -2.425 1.116) 3.005 7.111 ( -1.379 2.425 1.116) 3.005 7.229 ( 0.558 -2.023 -0.662) 2.200 7.229 ( 0.558 2.023 -0.662) 2.200 7.494 ( -5.695 -2.933 -2.130) 6.751 7.494 ( -5.695 2.933 -2.130) 6.751 7.640 ( -1.980 -2.654 0.470) 3.345 7.640 ( -1.980 2.654 0.470) 3.345 8.361 ( -19.197 -6.783 -0.796) 20.376 8.361 ( -19.197 6.783 -0.796) 20.376 8.476 ( -15.286 -8.222 -0.908) 17.381 8.476 ( -15.286 8.222 -0.908) 17.381 9.042 ( 1.785 -2.317 -1.293) 3.198 9.042 ( 1.785 2.317 -1.293) 3.198 9.188 ( 0.519 -3.378 0.404) 3.441 9.188 ( 0.519 3.378 0.404) 3.441 9.315 ( 3.695 -0.798 -0.195) 3.785 9.315 ( 3.695 0.798 -0.195) 3.785 9.377 ( 5.610 -1.798 0.110) 5.892 9.377 ( 5.610 1.798 0.110) 5.892 9.545 ( 3.653 -3.370 0.866) 5.045 9.545 ( 3.653 3.370 0.866) 5.045 9.696 ( 2.818 -5.315 -1.057) 6.108 9.696 ( 2.818 5.315 -1.057) 6.108 10.068 ( -2.611 -3.284 2.614) 4.944 10.068 ( -2.611 3.284 2.614) 4.944 10.276 ( -9.281 -1.976 -2.259) 9.755 10.276 ( -9.281 1.976 -2.259) 9.755 10.421 ( -10.752 -4.656 2.295) 11.940 10.421 ( -10.752 4.656 2.295) 11.940 10.576 ( -7.909 -0.758 -1.847) 8.157 10.576 ( -7.909 0.758 -1.847) 8.157 10.829 ( -6.457 -7.095 0.740) 9.622 10.829 ( -6.457 7.095 0.740) 9.622 10.966 ( -5.680 -4.709 -0.511) 7.396 10.966 ( -5.680 4.709 -0.511) 7.396 11.576 ( 11.193 -1.065 -0.909) 11.280 11.576 ( 11.193 1.065 -0.909) 11.280 11.653 ( 10.494 -1.082 0.868) 10.585 11.653 ( 10.494 1.082 0.868) 10.585 12.207 ( 2.286 -6.794 2.050) 7.456 12.207 ( 2.286 6.794 2.050) 7.456 12.296 ( 0.549 -6.052 -2.015) 6.403 12.296 ( 0.549 6.052 -2.015) 6.403 12.415 ( -4.399 -2.040 0.703) 4.899 12.415 ( -4.399 2.040 0.703) 4.899 12.486 ( -3.190 -3.790 -0.582) 4.988 12.486 ( -3.190 3.790 -0.582) 4.988 12.834 ( 1.637 -6.860 0.589) 7.077 12.834 ( 1.637 6.860 0.589) 7.077 12.920 ( -0.298 -5.380 -0.538) 5.415 12.920 ( -0.298 5.380 -0.538) 5.415 13.496 ( 7.372 -6.857 -0.460) 10.079 13.496 ( 7.372 6.857 -0.460) 10.079 13.550 ( 7.087 -8.323 0.514) 10.944 13.550 ( 7.087 8.323 0.514) 10.944 14.212 ( -2.007 -5.178 0.509) 5.576 14.212 ( -2.007 5.178 0.509) 5.576 14.260 ( -2.395 -5.055 -0.888) 5.663 14.260 ( -2.395 5.055 -0.888) 5.663 14.642 ( 5.618 -4.319 2.636) 7.561 14.642 ( 5.618 4.319 2.636) 7.561 14.755 ( 0.545 -2.120 -1.725) 2.787 14.755 ( 0.545 2.120 -1.725) 2.787 15.133 ( 7.206 -7.804 1.193) 10.689 15.133 ( 7.206 7.804 1.193) 10.689 15.243 ( 9.016 -3.382 -1.898) 9.815 15.243 ( 9.016 3.382 -1.898) 9.815 15.518 ( 2.227 -6.287 0.689) 6.705 15.518 ( 2.227 6.287 0.689) 6.705 15.622 ( -5.830 -4.499 -1.369) 7.490 15.622 ( -5.830 4.499 -1.369) 7.490 15.962 ( 3.693 -1.709 2.251) 4.651 15.962 ( 3.693 1.709 2.251) 4.651 15.991 ( 4.103 -3.554 -4.513) 7.059 15.991 ( 4.103 3.554 -4.513) 7.059 16.649 ( 2.209 -1.124 -0.898) 2.636 16.649 ( 2.209 1.124 -0.898) 2.636 16.716 ( 2.788 -0.877 1.385) 3.235 16.716 ( 2.788 0.877 1.385) 3.235 17.370 ( -0.075 -0.447 0.399) 0.604 17.370 ( -0.075 0.447 0.399) 0.604 17.420 ( 0.947 -1.310 -0.803) 1.805 17.420 ( 0.947 1.310 -0.803) 1.805 19.877 ( 3.894 -2.366 -1.220) 4.717 19.877 ( 3.894 2.366 -1.220) 4.717 20.075 ( 4.785 -0.575 0.050) 4.820 20.075 ( 4.785 0.575 0.050) 4.820 20.502 ( -5.216 -2.546 1.904) 6.109 20.502 ( -5.216 2.546 1.904) 6.109 20.805 ( -0.927 -1.705 -1.569) 2.496 20.805 ( -0.927 1.705 -1.569) 2.496 22.181 ( 6.104 -0.834 -1.833) 6.428 22.181 ( 6.104 0.834 -1.833) 6.428 22.236 ( 5.373 -1.799 2.034) 6.020 22.236 ( 5.373 1.799 2.034) 6.020 22.982 ( -5.908 -2.709 -1.872) 6.764 22.982 ( -5.908 2.709 -1.872) 6.764 23.183 ( -12.002 -1.490 2.070) 12.270 23.183 ( -12.002 1.490 2.070) 12.270 26.880 ( 20.539 -2.939 1.967) 20.841 26.880 ( 20.539 2.939 1.967) 20.841 27.012 ( 22.939 -5.317 -3.801) 23.852 27.012 ( 22.939 5.317 -3.801) 23.852 28.850 ( -18.829 -7.893 1.377) 20.463 28.850 ( -18.829 7.893 1.377) 20.463 28.924 ( -19.639 -7.027 -1.609) 20.921 28.924 ( -19.639 7.027 -1.609) 20.921 30.414 ( 9.121 -5.945 3.937) 11.577 30.414 ( 9.121 5.945 3.937) 11.577 30.620 ( 3.230 -4.706 -2.808) 6.361 30.620 ( 3.230 4.706 -2.808) 6.361 30.996 ( 6.693 -2.126 -0.910) 7.081 30.996 ( 6.693 2.126 -0.910) 7.081 31.159 ( 5.422 -5.004 0.095) 7.378 31.159 ( 5.422 5.004 0.095) 7.378 31.799 ( -2.469 -9.726 4.020) 10.810 31.799 ( -2.469 9.726 4.020) 10.810 31.969 ( -8.807 -7.486 -5.024) 12.603 31.969 ( -8.807 7.486 -5.024) 12.603 32.098 ( -0.492 -7.459 -0.093) 7.476 32.098 ( -0.492 7.459 -0.093) 7.476 32.260 ( 0.918 -8.385 -9.900) 13.006 32.260 ( 0.918 8.385 -9.900) 13.006 32.893 ( 11.335 -1.960 3.794) 12.112 32.893 ( 11.335 1.960 3.794) 12.112 33.131 ( 11.849 -0.518 -4.368) 12.639 33.131 ( 11.849 0.518 -4.368) 12.639 33.759 ( -3.583 -0.192 2.792) 4.546 33.759 ( -3.583 0.192 2.792) 4.546 33.981 ( -6.122 -0.902 -4.702) 7.772 33.981 ( -6.122 0.902 -4.702) 7.772 34.984 ( -2.424 -2.331 -0.351) 3.381 34.984 ( -2.424 2.331 -0.351) 3.381 35.226 ( 2.611 -1.089 1.734) 3.318 35.226 ( 2.611 1.089 1.734) 3.318 35.702 ( 3.322 -4.511 -2.635) 6.191 35.702 ( 3.322 4.511 -2.635) 6.191 35.802 ( 5.359 -2.223 -1.173) 5.919 35.802 ( 5.359 2.223 -1.173) 5.919 36.312 ( 2.348 -0.550 10.264) 10.543 36.312 ( 2.348 0.550 10.264) 10.543 36.483 ( 1.642 -1.359 -8.417) 8.683 36.483 ( 1.642 1.359 -8.417) 8.683 37.755 ( -8.919 -11.552 17.985) 23.161 37.755 ( -8.919 11.552 17.985) 23.161 38.312 ( -13.877 -10.641 -8.638) 19.505 38.312 ( -13.877 10.641 -8.638) 19.505 ======================= Grid point 69 (37/69) ======================= q-point: ( 0.33 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.866 -5.911 -8.270) 10.202 1.841 ( -0.866 5.911 -8.270) 10.202 2.033 ( 2.191 -5.615 -0.948) 6.101 2.033 ( 2.191 5.615 -0.947) 6.101 2.078 ( 8.982 -6.141 8.318) 13.696 2.078 ( 8.982 6.142 8.318) 13.696 2.444 ( 12.544 -2.966 0.358) 12.895 2.444 ( 12.544 2.966 0.358) 12.895 2.574 ( 0.569 -4.281 0.690) 4.374 2.574 ( 0.569 4.281 0.690) 4.374 2.694 ( -1.612 -2.266 -2.838) 3.973 2.694 ( -1.612 2.266 -2.838) 3.973 2.954 ( 0.823 -2.334 -2.634) 3.614 2.954 ( 0.823 2.334 -2.634) 3.614 3.109 ( 3.351 -3.672 -0.927) 5.057 3.109 ( 3.351 3.672 -0.927) 5.057 3.150 ( 1.496 -1.783 0.227) 2.339 3.150 ( 1.496 1.783 0.227) 2.339 3.326 ( 3.244 -4.822 0.950) 5.889 3.326 ( 3.244 4.822 0.950) 5.889 3.530 ( 6.724 -5.065 -6.150) 10.426 3.530 ( 6.724 5.065 -6.150) 10.426 3.599 ( 1.663 -5.110 6.033) 8.079 3.599 ( 1.663 5.110 6.033) 8.079 3.715 ( 1.997 -4.217 2.707) 5.394 3.715 ( 1.997 4.217 2.707) 5.394 3.819 ( -4.225 -4.083 -0.608) 5.907 3.819 ( -4.225 4.083 -0.608) 5.907 4.013 ( 1.435 -1.717 -3.522) 4.172 4.013 ( 1.435 1.717 -3.522) 4.172 4.109 ( 7.396 -4.290 -0.366) 8.557 4.109 ( 7.396 4.290 -0.366) 8.557 4.184 ( 8.787 -4.760 1.562) 10.114 4.184 ( 8.787 4.760 1.562) 10.114 4.294 ( 3.621 -7.507 1.819) 8.531 4.294 ( 3.621 7.507 1.819) 8.531 4.560 ( -1.274 -2.064 -2.388) 3.404 4.560 ( -1.274 2.064 -2.388) 3.404 4.745 ( -1.512 -5.412 3.746) 6.753 4.745 ( -1.512 5.412 3.746) 6.753 4.759 ( -1.435 -2.438 -3.380) 4.408 4.759 ( -1.435 2.438 -3.380) 4.408 5.053 ( 1.264 -0.834 3.798) 4.088 5.053 ( 1.264 0.835 3.798) 4.088 5.193 ( -2.665 -4.013 -0.886) 4.898 5.193 ( -2.665 4.013 -0.886) 4.898 5.280 ( 2.603 -7.276 -2.143) 8.020 5.280 ( 2.603 7.276 -2.143) 8.020 5.351 ( -4.619 -7.800 3.418) 9.688 5.351 ( -4.619 7.800 3.418) 9.688 5.494 ( 2.602 -3.393 0.397) 4.294 5.494 ( 2.602 3.393 0.397) 4.294 5.705 ( -2.036 -3.381 -2.110) 4.476 5.705 ( -2.036 3.381 -2.110) 4.476 5.753 ( -3.704 -2.889 1.588) 4.958 5.753 ( -3.704 2.889 1.588) 4.958 5.846 ( 0.516 -2.988 -0.296) 3.046 5.846 ( 0.516 2.988 -0.296) 3.046 6.096 ( -1.384 -4.961 0.769) 5.208 6.096 ( -1.384 4.961 0.769) 5.208 6.248 ( 0.322 -1.059 0.031) 1.107 6.248 ( 0.322 1.059 0.031) 1.107 6.380 ( -0.382 -5.251 0.256) 5.272 6.380 ( -0.382 5.251 0.256) 5.272 6.829 ( 3.528 -0.719 0.560) 3.644 6.829 ( 3.528 0.719 0.560) 3.644 7.006 ( -0.790 -3.004 0.325) 3.123 7.006 ( -0.790 3.004 0.325) 3.123 7.100 ( 4.666 -1.525 1.065) 5.023 7.100 ( 4.666 1.525 1.065) 5.023 7.257 ( 2.489 -2.329 0.505) 3.446 7.257 ( 2.489 2.329 0.505) 3.446 7.366 ( -5.816 -2.516 -2.865) 6.955 7.366 ( -5.816 2.516 -2.865) 6.955 7.598 ( -3.787 -3.143 1.022) 5.026 7.598 ( -3.787 3.143 1.022) 5.026 8.073 ( -14.749 -7.860 -1.235) 16.758 8.073 ( -14.749 7.860 -1.235) 16.758 8.254 ( -11.341 -8.701 -1.178) 14.342 8.254 ( -11.341 8.701 -1.178) 14.342 9.073 ( 3.222 -1.134 -0.847) 3.519 9.073 ( 3.222 1.134 -0.847) 3.519 9.202 ( 0.433 -4.105 0.667) 4.182 9.202 ( 0.433 4.105 0.667) 4.182 9.383 ( 4.438 -0.482 1.093) 4.596 9.383 ( 4.438 0.482 1.093) 4.596 9.457 ( 3.408 -1.008 0.697) 3.622 9.457 ( 3.408 1.009 0.697) 3.622 9.606 ( 3.766 -3.925 0.224) 5.444 9.606 ( 3.766 3.925 0.224) 5.444 9.720 ( 1.720 -4.337 -0.121) 4.667 9.720 ( 1.720 4.337 -0.121) 4.667 9.966 ( -12.154 -1.113 0.306) 12.208 9.966 ( -12.154 1.113 0.306) 12.208 10.123 ( -7.468 -1.924 -1.375) 7.834 10.123 ( -7.468 1.924 -1.375) 7.834 10.308 ( -4.727 -3.450 -1.814) 6.127 10.308 ( -4.727 3.450 -1.814) 6.127 10.464 ( -5.544 -4.692 1.776) 7.477 10.464 ( -5.544 4.692 1.776) 7.477 10.761 ( -3.486 -7.430 1.046) 8.274 10.761 ( -3.486 7.430 1.046) 8.274 10.877 ( -4.359 -3.730 -0.573) 5.765 10.877 ( -4.359 3.730 -0.573) 5.765 11.724 ( 8.518 -2.330 -0.767) 8.864 11.724 ( 8.518 2.330 -0.767) 8.864 11.799 ( 6.276 -1.471 0.813) 6.497 11.799 ( 6.276 1.471 0.813) 6.497 12.229 ( -1.414 -2.424 0.533) 2.856 12.229 ( -1.414 2.424 0.533) 2.856 12.293 ( 1.204 -2.149 -1.668) 2.975 12.293 ( 1.204 2.149 -1.668) 2.975 12.382 ( -0.672 -1.711 1.720) 2.517 12.382 ( -0.672 1.711 1.720) 2.517 12.454 ( -0.027 -5.030 -0.390) 5.046 12.454 ( -0.027 5.030 -0.390) 5.046 12.842 ( -1.312 -4.080 -0.536) 4.319 12.842 ( -1.312 4.080 -0.536) 4.319 12.906 ( -0.662 -3.126 0.091) 3.196 12.906 ( -0.662 3.126 0.091) 3.196 13.602 ( 6.226 -8.378 -0.163) 10.439 13.602 ( 6.226 8.378 -0.163) 10.439 13.651 ( 4.830 -8.570 0.250) 9.840 13.651 ( 4.830 8.570 0.250) 9.840 14.211 ( 2.311 -2.996 -0.209) 3.790 14.211 ( 2.311 2.996 -0.209) 3.790 14.271 ( 3.585 -1.899 -0.122) 4.058 14.271 ( 3.585 1.899 -0.122) 4.058 14.677 ( -4.882 -7.594 2.006) 9.248 14.677 ( -4.882 7.594 2.006) 9.248 14.724 ( -1.177 -9.038 -2.140) 9.362 14.724 ( -1.177 9.038 -2.140) 9.362 15.204 ( 0.709 -7.076 1.261) 7.222 15.204 ( 0.709 7.076 1.261) 7.222 15.296 ( 1.157 -4.574 -1.537) 4.962 15.296 ( 1.157 4.574 -1.537) 4.962 15.572 ( 1.779 -0.852 -1.242) 2.331 15.572 ( 1.779 0.852 -1.242) 2.331 15.605 ( 5.115 -0.998 1.486) 5.419 15.605 ( 5.115 0.998 1.486) 5.419 15.998 ( 5.060 -0.382 -3.333) 6.071 15.998 ( 5.060 0.382 -3.333) 6.071 16.084 ( 4.111 -1.097 3.307) 5.389 16.084 ( 4.111 1.097 3.307) 5.389 16.653 ( -0.281 -0.605 -0.198) 0.696 16.653 ( -0.281 0.605 -0.198) 0.696 16.763 ( 0.715 -0.536 1.024) 1.359 16.763 ( 0.715 0.536 1.024) 1.359 17.385 ( 1.334 -0.632 0.563) 1.579 17.385 ( 1.334 0.632 0.563) 1.579 17.421 ( 0.297 -1.052 -1.034) 1.505 17.421 ( 0.297 1.052 -1.034) 1.505 19.943 ( 6.138 -0.324 -1.057) 6.237 19.943 ( 6.138 0.324 -1.057) 6.237 20.163 ( 5.046 -1.820 1.011) 5.458 20.163 ( 5.046 1.820 1.011) 5.458 20.433 ( -6.522 -2.412 2.450) 7.372 20.433 ( -6.522 2.412 2.450) 7.372 20.767 ( -1.823 -1.719 -1.143) 2.754 20.767 ( -1.823 1.719 -1.143) 2.754 22.268 ( 8.047 -0.558 -1.454) 8.196 22.268 ( 8.047 0.558 -1.454) 8.196 22.355 ( 6.608 -0.832 1.067) 6.746 22.355 ( 6.608 0.832 1.067) 6.746 22.859 ( -7.267 -3.634 -1.309) 8.230 22.859 ( -7.267 3.634 -1.309) 8.230 23.020 ( -10.952 -2.372 1.349) 11.286 23.020 ( -10.952 2.372 1.349) 11.286 27.238 ( 22.700 -4.024 -1.418) 23.098 27.238 ( 22.700 4.024 -1.418) 23.098 27.353 ( 22.890 -5.416 2.194) 23.624 27.353 ( 22.890 5.416 2.194) 23.624 28.537 ( -21.568 -8.619 -1.310) 23.263 28.537 ( -21.568 8.619 -1.310) 23.263 28.598 ( -20.243 -8.687 1.042) 22.053 28.598 ( -20.243 8.687 1.042) 22.053 30.547 ( 5.774 -5.878 -0.517) 8.256 30.547 ( 5.774 5.878 -0.517) 8.256 30.674 ( 3.798 -4.373 1.176) 5.910 30.674 ( 3.798 4.373 1.176) 5.910 31.103 ( 6.864 -5.349 0.068) 8.702 31.103 ( 6.864 5.349 0.068) 8.702 31.255 ( 6.577 -6.273 0.758) 9.120 31.255 ( 6.577 6.273 0.758) 9.120 31.702 ( -9.357 -4.811 -2.631) 10.845 31.702 ( -9.357 4.811 -2.631) 10.845 31.817 ( -6.774 -1.290 0.736) 6.935 31.817 ( -6.774 1.290 0.736) 6.935 32.180 ( 3.621 -3.660 4.602) 6.906 32.180 ( 3.621 3.660 4.602) 6.906 32.222 ( 2.498 -6.518 -0.200) 6.983 32.222 ( 2.498 6.518 -0.200) 6.983 33.097 ( 8.319 -2.321 3.599) 9.356 33.097 ( 8.319 2.321 3.599) 9.356 33.276 ( 11.788 -0.720 -3.176) 12.229 33.276 ( 11.788 0.720 -3.176) 12.229 33.710 ( -4.043 -1.012 -0.823) 4.248 33.710 ( -4.043 1.012 -0.823) 4.248 33.858 ( -7.478 -0.811 2.011) 7.786 33.858 ( -7.478 0.811 2.011) 7.786 34.942 ( -1.344 -2.070 -1.105) 2.704 34.942 ( -1.344 2.070 -1.105) 2.704 35.270 ( 2.052 -1.017 -0.818) 2.432 35.270 ( 2.052 1.017 -0.818) 2.432 35.728 ( 2.280 -5.299 -0.055) 5.769 35.728 ( 2.280 5.299 -0.055) 5.769 35.869 ( 4.254 -2.582 -0.603) 5.012 35.869 ( 4.254 2.582 -0.603) 5.012 36.398 ( 3.978 -2.067 -7.003) 8.314 36.398 ( 3.978 2.067 -7.003) 8.314 36.470 ( 1.128 -1.138 3.505) 3.854 36.470 ( 1.128 1.138 3.505) 3.854 37.727 ( -7.600 -1.468 1.329) 7.854 37.727 ( -7.600 1.468 1.329) 7.854 38.047 ( -12.220 -1.931 -0.053) 12.371 38.047 ( -12.220 1.931 -0.053) 12.371 ======================= Grid point 71 (38/69) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.316 -7.589 -1.097) 8.799 1.794 ( 4.316 7.589 -1.097) 8.799 1.993 ( -2.838 -6.216 2.157) 7.165 1.993 ( -2.838 6.216 2.157) 7.165 2.288 ( 2.989 -3.952 -1.389) 5.146 2.288 ( 2.989 3.952 -1.389) 5.146 2.424 ( -5.325 -7.444 -4.502) 10.200 2.424 ( -5.325 7.444 -4.502) 10.200 2.675 ( 5.653 -4.863 2.260) 7.792 2.675 ( 5.653 4.863 2.260) 7.792 2.706 ( 5.053 -0.454 -2.723) 5.758 2.706 ( 5.053 0.454 -2.723) 5.758 2.915 ( 2.866 -2.471 -7.515) 8.414 2.915 ( 2.866 2.471 -7.515) 8.414 3.102 ( 2.402 -4.283 -3.721) 6.161 3.102 ( 2.402 4.283 -3.721) 6.161 3.202 ( 0.708 -2.122 -1.981) 2.988 3.202 ( 0.708 2.122 -1.981) 2.988 3.339 ( -6.036 -5.272 0.370) 8.022 3.339 ( -6.036 5.272 0.370) 8.022 3.515 ( 7.630 -3.918 -6.106) 10.529 3.515 ( 7.630 3.918 -6.106) 10.529 3.617 ( 1.158 -3.243 -2.520) 4.268 3.617 ( 1.158 3.243 -2.520) 4.268 3.727 ( -3.595 -3.566 2.472) 5.635 3.727 ( -3.595 3.566 2.472) 5.635 3.871 ( -1.860 -2.501 4.708) 5.647 3.871 ( -1.860 2.501 4.708) 5.647 3.953 ( 1.343 -1.326 -3.514) 3.988 3.953 ( 1.343 1.326 -3.514) 3.988 4.182 ( 3.272 -2.231 -1.771) 4.338 4.182 ( 3.272 2.231 -1.771) 4.338 4.321 ( 2.563 -3.041 5.198) 6.545 4.321 ( 2.563 3.041 5.198) 6.545 4.376 ( 2.158 -8.836 1.476) 9.215 4.376 ( 2.158 8.836 1.476) 9.215 4.508 ( 1.423 -3.003 -0.472) 3.357 4.508 ( 1.423 3.003 -0.472) 3.357 4.709 ( -2.724 -0.938 -0.072) 2.882 4.709 ( -2.724 0.938 -0.072) 2.882 4.829 ( 5.525 -7.858 3.117) 10.099 4.829 ( 5.525 7.858 3.117) 10.099 5.040 ( -4.910 -2.233 -4.326) 6.914 5.040 ( -4.910 2.233 -4.326) 6.914 5.148 ( -3.548 -2.487 -0.636) 4.380 5.148 ( -3.548 2.487 -0.636) 4.380 5.238 ( 2.739 -4.221 -2.834) 5.775 5.238 ( 2.739 4.221 -2.834) 5.775 5.354 ( -1.818 -4.973 0.606) 5.329 5.354 ( -1.818 4.973 0.606) 5.329 5.540 ( -2.253 -5.246 0.037) 5.710 5.540 ( -2.253 5.246 0.037) 5.710 5.635 ( 0.059 -10.236 3.834) 10.931 5.635 ( 0.059 10.236 3.834) 10.931 5.784 ( 0.653 -2.960 5.570) 6.341 5.784 ( 0.653 2.960 5.570) 6.341 5.888 ( 0.376 -2.470 3.539) 4.332 5.888 ( 0.376 2.470 3.539) 4.332 6.092 ( -1.200 -4.510 2.924) 5.507 6.092 ( -1.200 4.510 2.924) 5.507 6.270 ( 2.267 -2.305 0.054) 3.233 6.270 ( 2.267 2.305 0.054) 3.233 6.353 ( -2.229 -7.354 -0.037) 7.685 6.353 ( -2.229 7.354 -0.037) 7.685 6.891 ( 1.884 -2.660 -3.945) 5.117 6.891 ( 1.884 2.660 -3.945) 5.117 6.917 ( -1.714 -0.479 -3.232) 3.690 6.917 ( -1.714 0.479 -3.232) 3.690 7.198 ( 4.358 -4.248 -0.706) 6.127 7.198 ( 4.358 4.248 -0.706) 6.127 7.268 ( -3.256 -1.511 1.170) 3.776 7.268 ( -3.256 1.511 1.170) 3.776 7.323 ( 2.245 -3.340 1.820) 4.417 7.323 ( 2.245 3.340 1.820) 4.417 7.547 ( -4.935 -3.179 1.123) 5.977 7.547 ( -4.935 3.179 1.123) 5.977 7.932 ( -2.907 -8.093 1.779) 8.781 7.932 ( -2.907 8.093 1.779) 8.781 8.121 ( -3.352 -8.422 -0.855) 9.105 8.121 ( -3.352 8.422 -0.855) 9.105 9.104 ( 1.925 -0.699 -1.328) 2.441 9.104 ( 1.925 0.699 -1.328) 2.441 9.213 ( -0.049 -3.579 0.737) 3.655 9.213 ( -0.049 3.579 0.737) 3.655 9.464 ( 3.010 -0.657 0.868) 3.201 9.464 ( 3.010 0.657 0.868) 3.201 9.500 ( 1.382 -2.390 1.540) 3.162 9.500 ( 1.382 2.390 1.540) 3.162 9.668 ( 1.880 -1.678 1.426) 2.895 9.668 ( 1.880 1.678 1.426) 2.895 9.745 ( 0.337 -2.687 -1.000) 2.887 9.745 ( 0.337 2.687 -1.000) 2.887 9.783 ( -7.274 -1.960 0.608) 7.558 9.783 ( -7.274 1.960 0.608) 7.558 10.007 ( -4.666 -2.245 -1.334) 5.347 10.007 ( -4.666 2.245 -1.334) 5.347 10.244 ( 0.962 -1.436 -3.364) 3.782 10.244 ( 0.962 1.436 -3.364) 3.782 10.413 ( -3.909 -4.482 0.410) 5.962 10.413 ( -3.909 4.482 0.410) 5.962 10.744 ( -1.288 -6.770 2.009) 7.178 10.744 ( -1.288 6.770 2.009) 7.178 10.833 ( -0.835 -5.243 0.200) 5.313 10.833 ( -0.835 5.243 0.200) 5.313 11.815 ( 3.807 -2.484 -0.298) 4.556 11.815 ( 3.807 2.484 -0.298) 4.556 11.859 ( 0.767 -0.618 0.392) 1.060 11.859 ( 0.767 0.618 0.392) 1.060 12.207 ( -0.661 -3.805 -0.735) 3.931 12.207 ( -0.661 3.805 -0.735) 3.931 12.284 ( 0.409 -2.624 -0.982) 2.832 12.284 ( 0.409 2.624 -0.982) 2.832 12.399 ( -1.136 -3.308 1.672) 3.877 12.399 ( -1.136 3.308 1.672) 3.877 12.474 ( 2.337 -5.933 -0.709) 6.416 12.474 ( 2.337 5.933 -0.709) 6.416 12.808 ( -1.006 -2.870 0.096) 3.042 12.808 ( -1.006 2.870 0.096) 3.042 12.896 ( -0.810 -2.050 -0.321) 2.228 12.896 ( -0.810 2.050 -0.321) 2.228 13.673 ( 2.733 -5.301 -0.114) 5.965 13.673 ( 2.733 5.301 -0.114) 5.965 13.698 ( 1.184 -5.427 -0.090) 5.556 13.698 ( 1.184 5.427 -0.090) 5.556 14.269 ( 3.740 -3.466 0.264) 5.106 14.269 ( 3.740 3.466 0.264) 5.106 14.334 ( 3.468 -2.862 -0.289) 4.506 14.334 ( 3.468 2.862 -0.289) 4.506 14.596 ( -5.376 -4.088 0.434) 6.768 14.596 ( -5.376 4.088 0.434) 6.768 14.671 ( -2.040 -6.933 -0.871) 7.279 14.671 ( -2.040 6.933 -0.871) 7.279 15.206 ( -0.913 -4.259 0.001) 4.356 15.206 ( -0.913 4.259 0.001) 4.356 15.285 ( -0.222 -1.833 -0.405) 1.891 15.285 ( -0.222 1.833 -0.405) 1.891 15.592 ( 1.770 -0.716 -0.960) 2.137 15.592 ( 1.770 0.716 -0.960) 2.137 15.681 ( 2.217 -1.273 0.204) 2.565 15.681 ( 2.217 1.273 0.204) 2.565 16.052 ( 4.238 -1.050 -0.852) 4.449 16.052 ( 4.238 1.050 -0.852) 4.449 16.147 ( 0.013 -1.612 1.916) 2.503 16.147 ( 0.013 1.612 1.916) 2.503 16.650 ( -0.425 -0.667 1.003) 1.277 16.650 ( -0.425 0.667 1.003) 1.277 16.764 ( -0.610 -1.231 -0.188) 1.387 16.764 ( -0.610 1.231 -0.188) 1.387 17.404 ( -0.538 -0.893 -1.275) 1.647 17.404 ( -0.538 0.893 -1.275) 1.647 17.419 ( 1.522 -0.736 0.767) 1.856 17.419 ( 1.522 0.736 0.767) 1.856 20.029 ( 5.512 -1.567 -0.809) 5.787 20.029 ( 5.512 1.567 -0.809) 5.787 20.213 ( -0.207 -2.802 -0.103) 2.811 20.213 ( -0.207 2.802 -0.103) 2.811 20.379 ( -4.192 -1.867 3.725) 5.910 20.379 ( -4.192 1.867 3.725) 5.910 20.739 ( -0.253 -1.495 -0.065) 1.517 20.739 ( -0.253 1.495 -0.065) 1.517 22.389 ( 7.300 -1.289 -0.021) 7.413 22.389 ( 7.300 1.289 -0.021) 7.413 22.434 ( 2.169 -1.741 -0.232) 2.791 22.434 ( 2.169 1.741 -0.232) 2.791 22.749 ( -4.280 -2.858 -0.852) 5.216 22.749 ( -4.280 2.858 -0.852) 5.216 22.895 ( -5.885 -1.895 0.964) 6.257 22.895 ( -5.885 1.895 0.964) 6.257 27.531 ( 17.190 -7.026 -1.920) 18.670 27.531 ( 17.190 7.026 -1.920) 18.670 27.694 ( 10.350 -11.459 2.621) 15.662 27.694 ( 10.350 11.459 2.621) 15.662 28.214 ( -12.426 -6.708 -0.525) 14.131 28.214 ( -12.426 6.708 -0.525) 14.131 28.349 ( -13.697 -10.441 2.792) 17.447 28.349 ( -13.697 10.441 2.792) 17.447 30.598 ( 2.253 -4.590 -1.346) 5.287 30.598 ( 2.253 4.590 -1.346) 5.287 30.730 ( 1.204 -2.875 1.102) 3.306 30.730 ( 1.204 2.875 1.102) 3.306 31.189 ( 3.457 -4.023 0.775) 5.360 31.189 ( 3.457 4.023 0.775) 5.360 31.360 ( 3.360 -3.123 -0.000) 4.587 31.360 ( 3.360 3.123 -0.000) 4.587 31.545 ( -4.450 -1.856 -1.573) 5.072 31.545 ( -4.450 1.856 -1.573) 5.072 31.758 ( -2.973 -0.781 2.342) 3.864 31.758 ( -2.973 0.781 2.342) 3.864 32.230 ( 0.657 -4.962 3.121) 5.899 32.230 ( 0.657 4.962 3.121) 5.899 32.345 ( 1.459 -9.638 10.108) 14.042 32.345 ( 1.459 9.638 10.108) 14.042 33.182 ( 0.520 -2.430 -1.691) 3.005 33.182 ( 0.520 2.430 -1.691) 3.005 33.420 ( 8.692 -0.727 -1.054) 8.786 33.420 ( 8.692 0.727 -1.054) 8.786 33.653 ( -1.157 -2.109 -0.058) 2.406 33.653 ( -1.157 2.109 -0.058) 2.406 33.785 ( -6.268 -0.779 4.262) 7.619 33.785 ( -6.268 0.779 4.262) 7.619 34.929 ( 0.406 -1.800 0.140) 1.850 34.929 ( 0.406 1.800 0.140) 1.850 35.265 ( 0.635 -0.966 -3.676) 3.853 35.265 ( 0.635 0.966 -3.676) 3.853 35.775 ( 1.541 -5.198 3.067) 6.229 35.775 ( 1.541 5.198 3.067) 6.229 35.915 ( 2.005 -3.105 0.132) 3.699 35.915 ( 2.005 3.105 0.132) 3.699 36.368 ( 5.747 -2.795 -10.798) 12.547 36.368 ( 5.747 2.795 -10.798) 12.547 36.450 ( -4.335 -1.931 -4.390) 6.465 36.450 ( -4.335 1.931 -4.390) 6.465 37.659 ( -1.300 -3.384 1.292) 3.848 37.659 ( -1.300 3.384 1.292) 3.848 37.913 ( -6.154 -0.179 1.191) 6.270 37.913 ( -6.154 0.179 1.191) 6.270 ======================= Grid point 73 (39/69) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -4.431 -5.056 -2.387) 7.134 1.833 ( -4.431 5.056 -2.387) 7.134 2.040 ( 3.161 -4.730 2.818) 6.349 2.040 ( 3.161 4.730 2.818) 6.349 2.170 ( -1.507 -5.784 -1.434) 6.147 2.170 ( -1.507 5.784 -1.434) 6.147 2.380 ( 0.934 -3.766 -3.944) 5.532 2.380 ( 0.934 3.766 -3.944) 5.532 2.600 ( -8.791 -2.867 -4.599) 10.327 2.600 ( -8.791 2.867 -4.599) 10.327 2.717 ( -5.825 -4.768 -2.791) 8.028 2.717 ( -5.825 4.768 -2.791) 8.028 2.951 ( 9.119 -5.543 -4.904) 11.744 2.951 ( 9.119 5.543 -4.904) 11.744 3.030 ( -5.351 -0.959 -4.348) 6.961 3.030 ( -5.351 0.959 -4.348) 6.961 3.156 ( 0.505 -6.713 1.615) 6.923 3.156 ( 0.505 6.713 1.615) 6.923 3.261 ( -2.739 -2.805 -2.452) 4.624 3.261 ( -2.739 2.805 -2.452) 4.624 3.527 ( -3.661 -2.175 -4.528) 6.216 3.527 ( -3.661 2.175 -4.528) 6.216 3.565 ( -4.028 -7.679 -3.771) 9.456 3.565 ( -4.028 7.679 -3.771) 9.456 3.718 ( -0.117 -4.371 0.828) 4.450 3.718 ( -0.117 4.371 0.828) 4.450 3.825 ( 1.193 -2.623 -0.669) 2.959 3.825 ( 1.193 2.623 -0.669) 2.959 4.001 ( -0.635 -1.069 0.942) 1.560 4.001 ( -0.635 1.069 0.942) 1.560 4.189 ( -1.019 -6.146 0.751) 6.275 4.189 ( -1.019 6.146 0.751) 6.275 4.311 ( -3.590 -2.508 -0.046) 4.379 4.311 ( -3.590 2.508 -0.046) 4.379 4.452 ( 0.719 -1.333 5.744) 5.941 4.452 ( 0.719 1.333 5.744) 5.941 4.575 ( 3.087 -5.204 -0.170) 6.053 4.575 ( 3.087 5.204 -0.170) 6.053 4.675 ( -1.973 -3.046 3.466) 5.019 4.675 ( -1.973 3.046 3.466) 5.019 4.864 ( -3.019 -1.962 -5.771) 6.802 4.864 ( -3.019 1.962 -5.771) 6.802 4.934 ( 0.018 -6.042 -1.944) 6.347 4.934 ( 0.018 6.042 -1.944) 6.347 5.080 ( 0.456 -4.253 -2.758) 5.089 5.080 ( 0.456 4.253 -2.758) 5.089 5.285 ( -1.513 -1.951 -0.676) 2.560 5.285 ( -1.513 1.951 -0.676) 2.560 5.358 ( 4.426 -4.206 5.026) 7.908 5.358 ( 4.426 4.206 5.026) 7.908 5.511 ( 0.050 -2.402 -0.139) 2.406 5.511 ( 0.050 2.402 -0.139) 2.406 5.673 ( 0.401 -4.758 2.275) 5.289 5.673 ( 0.401 4.758 2.275) 5.289 5.882 ( 3.855 -6.703 1.477) 7.872 5.882 ( 3.855 6.703 1.477) 7.872 5.931 ( -3.384 -4.959 8.456) 10.371 5.931 ( -3.384 4.959 8.456) 10.371 6.125 ( 0.108 -2.167 4.113) 4.650 6.125 ( 0.108 2.167 4.113) 4.650 6.280 ( -0.025 -1.738 -0.024) 1.739 6.280 ( -0.025 1.738 -0.024) 1.739 6.372 ( 3.166 -1.855 1.078) 3.825 6.372 ( 3.166 1.855 1.078) 3.825 6.814 ( 0.036 -0.758 -3.763) 3.839 6.814 ( 0.036 0.758 -3.763) 3.839 6.871 ( -1.237 -2.282 -6.442) 6.945 6.871 ( -1.237 2.282 -6.442) 6.945 7.182 ( -5.656 -1.358 -0.138) 5.818 7.182 ( -5.656 1.358 -0.138) 5.818 7.281 ( 0.500 -1.084 1.030) 1.576 7.281 ( 0.500 1.084 1.030) 1.576 7.372 ( 1.568 -3.599 2.380) 4.590 7.372 ( 1.568 3.599 2.380) 4.590 7.521 ( 2.381 -1.882 0.424) 3.065 7.521 ( 2.381 1.882 0.424) 3.065 7.986 ( 5.083 -8.867 2.921) 10.630 7.986 ( 5.083 8.867 2.921) 10.630 8.139 ( 5.889 -7.821 -0.707) 9.816 8.139 ( 5.889 7.821 -0.707) 9.816 9.102 ( -0.018 -0.563 -1.288) 1.406 9.102 ( -0.018 0.563 -1.288) 1.406 9.214 ( -0.839 -3.204 0.700) 3.386 9.214 ( -0.839 3.204 0.700) 3.386 9.468 ( -3.492 -0.144 0.806) 3.587 9.468 ( -3.492 0.144 0.806) 3.587 9.518 ( -2.202 -1.511 2.088) 3.390 9.518 ( -2.202 1.511 2.088) 3.390 9.639 ( -2.834 -0.872 0.244) 2.975 9.639 ( -2.834 0.872 0.244) 2.975 9.728 ( -0.767 -2.380 -0.834) 2.636 9.728 ( -0.767 2.380 -0.834) 2.636 9.833 ( 7.932 -1.508 2.337) 8.405 9.833 ( 7.932 1.508 2.337) 8.405 9.993 ( 4.862 -2.602 -1.971) 5.856 9.993 ( 4.862 2.602 -1.971) 5.856 10.224 ( -0.041 -3.835 -4.064) 5.588 10.224 ( -0.041 3.835 -4.064) 5.588 10.391 ( 3.273 -2.292 -0.016) 3.996 10.391 ( 3.273 2.292 -0.016) 3.996 10.753 ( -0.684 -8.437 2.257) 8.760 10.753 ( -0.684 8.437 2.257) 8.760 10.853 ( 2.445 -5.956 0.467) 6.455 10.853 ( 2.445 5.956 0.467) 6.455 11.833 ( -1.530 -1.863 -0.072) 2.412 11.833 ( -1.530 1.863 -0.072) 2.412 11.840 ( -3.328 -0.977 0.181) 3.473 11.840 ( -3.328 0.977 0.181) 3.473 12.195 ( 0.036 -1.634 -0.825) 1.831 12.195 ( 0.036 1.634 -0.825) 1.831 12.292 ( 2.156 -2.926 -1.081) 3.792 12.292 ( 2.156 2.926 -1.081) 3.792 12.386 ( -2.320 -2.875 1.345) 3.932 12.386 ( -2.320 2.875 1.345) 3.932 12.475 ( -0.882 -5.660 -0.536) 5.753 12.475 ( -0.882 5.660 -0.536) 5.753 12.832 ( 1.933 -2.332 0.729) 3.116 12.832 ( 1.933 2.332 0.729) 3.116 12.879 ( 0.259 -1.287 -0.849) 1.563 12.879 ( 0.259 1.287 -0.849) 1.563 13.674 ( -2.397 -4.426 -0.078) 5.034 13.674 ( -2.397 4.426 -0.078) 5.034 13.693 ( -1.559 -4.546 -0.199) 4.810 13.693 ( -1.559 4.546 -0.199) 4.810 14.283 ( -3.151 -3.165 0.753) 4.529 14.283 ( -3.151 3.165 0.753) 4.529 14.325 ( -3.675 -2.291 -0.690) 4.385 14.325 ( -3.675 2.291 -0.690) 4.385 14.574 ( 2.379 -5.447 -0.137) 5.946 14.574 ( 2.379 5.447 -0.137) 5.946 14.687 ( 4.892 -1.908 -0.435) 5.269 14.687 ( 4.892 1.908 -0.435) 5.269 15.189 ( -0.764 -1.948 -0.334) 2.119 15.189 ( -0.764 1.948 -0.334) 2.119 15.294 ( 1.853 -2.737 -0.225) 3.313 15.294 ( 1.853 2.737 -0.225) 3.313 15.580 ( -2.313 -1.014 -1.180) 2.788 15.580 ( -2.313 1.014 -1.180) 2.788 15.679 ( -2.084 -1.052 0.114) 2.338 15.679 ( -2.084 1.052 0.114) 2.338 16.077 ( -1.579 -1.107 -0.693) 2.049 16.077 ( -1.579 1.107 -0.693) 2.049 16.150 ( -0.958 -1.455 2.271) 2.863 16.150 ( -0.958 1.455 2.271) 2.863 16.666 ( 0.550 -0.491 1.649) 1.806 16.666 ( 0.550 0.491 1.649) 1.806 16.752 ( -0.280 -2.159 -0.748) 2.302 16.752 ( -0.280 2.159 -0.748) 2.302 17.377 ( -1.104 -0.545 -0.855) 1.499 17.377 ( -1.104 0.545 -0.855) 1.499 17.445 ( 0.760 -0.984 0.314) 1.283 17.445 ( 0.760 0.984 0.314) 1.283 20.046 ( -3.155 -1.781 -0.722) 3.694 20.046 ( -3.155 1.781 -0.722) 3.694 20.207 ( 1.255 -1.039 -0.142) 1.635 20.207 ( 1.255 1.039 -0.142) 1.635 20.376 ( -1.891 -1.948 3.893) 4.746 20.376 ( -1.891 1.948 3.893) 4.746 20.760 ( 2.272 -1.578 0.309) 2.783 20.760 ( 2.272 1.578 0.309) 2.783 22.396 ( -5.021 -4.160 0.104) 6.521 22.396 ( -5.021 4.160 0.104) 6.521 22.432 ( -4.293 -4.147 -0.257) 5.974 22.432 ( -4.293 4.147 -0.257) 5.974 22.756 ( 7.314 -1.495 -0.899) 7.519 22.756 ( 7.314 1.495 -0.899) 7.519 22.885 ( 2.843 -1.591 0.938) 3.391 22.885 ( 2.843 1.591 0.938) 3.391 27.531 ( -21.042 -7.411 -1.916) 22.391 27.531 ( -21.042 7.411 -1.916) 22.391 27.681 ( -3.299 -10.468 2.291) 11.212 27.681 ( -3.299 10.468 2.291) 11.212 28.261 ( 9.271 -7.153 -0.071) 11.710 28.261 ( 9.271 7.153 -0.071) 11.710 28.360 ( 14.366 -6.657 3.531) 16.222 28.360 ( 14.366 6.657 3.531) 16.222 30.581 ( -2.929 -1.317 -1.034) 3.373 30.581 ( -2.929 1.317 -1.034) 3.373 30.735 ( -1.457 -1.084 0.568) 1.903 30.735 ( -1.457 1.084 0.568) 1.903 31.217 ( -2.903 -2.054 1.553) 3.880 31.217 ( -2.903 2.054 1.553) 3.880 31.307 ( -4.167 -4.548 -1.164) 6.277 31.307 ( -4.167 4.548 -1.164) 6.277 31.571 ( 5.433 -2.706 -0.919) 6.139 31.571 ( 5.433 2.706 -0.919) 6.139 31.787 ( 3.365 -3.533 1.925) 5.245 31.787 ( 3.365 3.533 1.925) 5.245 32.268 ( -4.650 -7.162 7.364) 11.276 32.268 ( -4.650 7.162 7.364) 11.276 32.495 ( 3.551 -8.297 11.982) 15.001 32.495 ( 3.551 8.297 11.982) 15.001 33.102 ( -5.324 -1.340 -3.788) 6.670 33.102 ( -5.324 1.340 -3.788) 6.670 33.456 ( -2.118 -0.726 -1.932) 2.957 33.456 ( -2.118 0.726 -1.932) 2.957 33.656 ( -1.728 -0.219 2.766) 3.269 33.656 ( -1.728 0.219 2.766) 3.269 33.829 ( 7.001 -0.113 4.081) 8.104 33.829 ( 7.001 0.113 4.081) 8.104 34.953 ( 0.913 -1.592 1.762) 2.544 34.953 ( 0.913 1.592 1.762) 2.544 35.213 ( -0.731 -0.654 -5.073) 5.167 35.213 ( -0.731 0.654 -5.073) 5.167 35.838 ( 0.550 -4.152 4.456) 6.115 35.838 ( 0.550 4.152 4.456) 6.115 35.935 ( -0.401 -3.955 1.491) 4.245 35.935 ( -0.401 3.955 1.491) 4.245 36.248 ( -5.663 -2.442 -10.463) 12.145 36.248 ( -5.663 2.442 -10.463) 12.145 36.356 ( 6.265 -2.396 -12.272) 13.985 36.356 ( 6.265 2.396 -12.272) 13.985 37.584 ( -12.782 -6.351 0.846) 14.298 37.584 ( -12.782 6.351 0.846) 14.298 37.983 ( 13.536 -8.894 1.901) 16.307 37.983 ( 13.536 8.894 1.901) 16.307 ======================= Grid point 75 (40/69) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -14.560 -10.895 -3.847) 18.587 1.618 ( -14.560 10.895 -3.847) 18.587 1.994 ( -11.301 -12.257 -3.820) 17.104 1.994 ( -11.301 12.257 -3.820) 17.104 2.196 ( -5.307 -1.716 -7.746) 9.545 2.196 ( -5.307 1.716 -7.746) 9.545 2.270 ( 0.501 -6.157 -0.936) 6.248 2.270 ( 0.501 6.157 -0.936) 6.248 2.499 ( -2.939 -6.332 7.510) 10.254 2.499 ( -2.939 6.332 7.510) 10.254 2.662 ( 4.858 -1.976 -2.245) 5.705 2.662 ( 4.858 1.976 -2.245) 5.705 2.820 ( -6.553 -3.087 -3.661) 8.116 2.820 ( -6.553 3.087 -3.661) 8.116 3.082 ( 2.745 -0.759 -3.067) 4.185 3.082 ( 2.745 0.759 -3.067) 4.185 3.124 ( -5.847 -4.088 -0.064) 7.135 3.124 ( -5.847 4.088 -0.064) 7.135 3.253 ( -0.907 -5.504 1.351) 5.739 3.253 ( -0.907 5.504 1.351) 5.739 3.362 ( 1.001 -2.831 -7.565) 8.139 3.362 ( 1.001 2.831 -7.565) 8.139 3.513 ( -4.244 -2.331 5.821) 7.571 3.513 ( -4.244 2.331 5.821) 7.571 3.685 ( -3.626 -6.190 -4.320) 8.374 3.685 ( -3.626 6.190 -4.320) 8.374 3.804 ( -2.530 -4.281 -2.246) 5.456 3.804 ( -2.530 4.281 -2.246) 5.456 3.925 ( -6.333 -5.116 -1.157) 8.224 3.925 ( -6.333 5.116 -1.157) 8.224 4.164 ( -7.029 -7.655 4.479) 11.317 4.164 ( -7.029 7.655 4.479) 11.317 4.259 ( -5.020 -4.932 1.952) 7.303 4.259 ( -5.020 4.932 1.952) 7.303 4.506 ( -2.166 -1.149 3.387) 4.182 4.506 ( -2.166 1.149 3.387) 4.182 4.564 ( 1.412 -4.255 -2.461) 5.114 4.564 ( 1.412 4.255 -2.461) 5.114 4.721 ( -2.740 -2.006 2.197) 4.044 4.721 ( -2.740 2.006 2.197) 4.044 4.785 ( 0.927 -2.831 -1.176) 3.202 4.785 ( 0.927 2.831 -1.176) 3.202 4.895 ( 1.869 -2.534 -5.117) 6.008 4.895 ( 1.869 2.534 -5.117) 6.008 5.093 ( 4.206 -3.502 -1.914) 5.798 5.093 ( 4.206 3.502 -1.914) 5.798 5.278 ( -0.207 -1.639 2.799) 3.250 5.278 ( -0.207 1.639 2.799) 3.250 5.457 ( 2.493 -5.032 1.464) 5.803 5.457 ( 2.493 5.032 1.464) 5.803 5.551 ( 3.512 -3.621 0.127) 5.046 5.551 ( 3.512 3.621 0.127) 5.046 5.733 ( 2.923 -3.081 2.030) 4.707 5.733 ( 2.923 3.081 2.030) 4.707 5.909 ( -2.362 -1.445 0.474) 2.809 5.909 ( -2.362 1.445 0.474) 2.809 5.958 ( -1.082 -4.281 6.949) 8.233 5.958 ( -1.082 4.281 6.949) 8.233 6.178 ( 1.100 -3.728 1.340) 4.112 6.178 ( 1.100 3.728 1.340) 4.112 6.304 ( 2.279 -1.899 0.099) 2.968 6.304 ( 2.279 1.899 0.099) 2.968 6.447 ( 3.815 -4.956 3.467) 7.150 6.447 ( 3.815 4.956 3.467) 7.150 6.753 ( -3.766 -0.646 -3.858) 5.430 6.753 ( -3.766 0.646 -3.858) 5.430 6.834 ( 3.488 -0.872 -1.386) 3.853 6.834 ( 3.488 0.872 -1.386) 3.853 7.081 ( -5.284 -2.746 -0.340) 5.965 7.081 ( -5.284 2.746 -0.340) 5.965 7.250 ( -3.862 -3.807 0.641) 5.460 7.250 ( -3.862 3.807 0.641) 5.460 7.431 ( 3.032 -1.582 -1.220) 3.631 7.431 ( 3.032 1.582 -1.220) 3.631 7.590 ( 3.937 -3.247 0.616) 5.140 7.590 ( 3.937 3.247 0.616) 5.140 8.138 ( 11.992 -6.646 0.328) 13.715 8.138 ( 11.992 6.646 0.328) 13.715 8.267 ( 11.941 -6.172 -0.942) 13.475 8.267 ( 11.941 6.172 -0.942) 13.475 9.082 ( -0.781 -0.808 -0.900) 1.440 9.082 ( -0.781 0.808 -0.900) 1.440 9.207 ( -1.027 -3.494 0.862) 3.743 9.207 ( -1.027 3.494 0.862) 3.743 9.413 ( -4.418 -0.637 1.797) 4.812 9.413 ( -4.418 0.637 1.797) 4.812 9.492 ( -4.229 -1.920 1.770) 4.971 9.492 ( -4.229 1.920 1.770) 4.971 9.578 ( -3.808 -1.719 -0.738) 4.243 9.578 ( -3.808 1.719 -0.738) 4.243 9.743 ( 0.643 -2.247 0.518) 2.394 9.743 ( 0.643 2.247 0.518) 2.394 9.958 ( 2.642 -1.374 0.551) 3.029 9.958 ( 2.642 1.374 0.551) 3.029 10.086 ( 10.940 -1.177 -3.003) 11.406 10.086 ( 10.940 1.177 -3.003) 11.406 10.219 ( 7.630 -6.238 -1.835) 10.025 10.219 ( 7.630 6.238 -1.835) 10.025 10.498 ( 8.421 -3.149 0.721) 9.020 10.498 ( 8.421 3.149 0.721) 9.020 10.781 ( 1.645 -7.427 1.829) 7.824 10.781 ( 1.645 7.427 1.829) 7.824 10.905 ( 3.995 -6.607 -0.160) 7.722 10.905 ( 3.995 6.607 -0.160) 7.722 11.740 ( -8.155 -1.601 -0.956) 8.365 11.740 ( -8.155 1.601 -0.956) 8.365 11.779 ( -6.857 -1.731 0.931) 7.133 11.779 ( -6.857 1.731 0.931) 7.133 12.183 ( -0.571 -2.870 -0.688) 3.006 12.183 ( -0.571 2.870 -0.688) 3.006 12.328 ( 3.745 -2.729 -0.710) 4.688 12.328 ( 3.745 2.729 -0.710) 4.688 12.369 ( -1.722 -4.819 1.254) 5.269 12.369 ( -1.722 4.819 1.254) 5.269 12.467 ( 0.866 -4.307 0.145) 4.395 12.467 ( 0.866 4.307 0.145) 4.395 12.830 ( -0.861 -6.014 -0.767) 6.123 12.830 ( -0.861 6.014 -0.767) 6.123 12.908 ( 2.213 -4.137 0.105) 4.693 12.908 ( 2.213 4.137 0.105) 4.693 13.610 ( -5.509 -6.272 0.002) 8.347 13.610 ( -5.509 6.272 0.002) 8.347 13.640 ( -5.182 -7.109 0.043) 8.798 13.640 ( -5.182 7.109 0.043) 8.798 14.222 ( -3.884 -4.219 0.050) 5.735 14.222 ( -3.884 4.219 0.050) 5.735 14.263 ( -2.108 -6.271 -0.308) 6.623 14.263 ( -2.108 6.271 -0.308) 6.623 14.610 ( 0.847 -9.476 -0.340) 9.519 14.610 ( 0.847 9.476 -0.340) 9.519 14.766 ( 4.407 -2.859 -0.387) 5.267 14.766 ( 4.407 2.859 -0.387) 5.267 15.173 ( -1.880 -8.177 0.236) 8.393 15.173 ( -1.880 8.177 0.236) 8.393 15.319 ( 0.172 -5.238 -0.549) 5.269 15.319 ( 0.172 5.238 -0.549) 5.269 15.518 ( -1.826 -0.346 -1.052) 2.136 15.518 ( -1.826 0.346 -1.052) 2.136 15.641 ( -2.419 -1.562 0.740) 2.973 15.641 ( -2.419 1.562 0.740) 2.973 15.989 ( -6.868 -2.106 -1.251) 7.292 15.989 ( -6.868 2.106 -1.251) 7.292 16.181 ( 0.530 -3.927 2.962) 4.947 16.181 ( 0.530 3.927 2.962) 4.947 16.696 ( 0.613 -1.428 0.377) 1.599 16.696 ( 0.613 1.428 0.377) 1.599 16.738 ( -0.852 -1.402 1.017) 1.930 16.738 ( -0.852 1.402 1.017) 1.930 17.356 ( -0.553 -0.442 -0.387) 0.807 17.356 ( -0.553 0.442 -0.387) 0.807 17.448 ( -0.393 -1.033 -0.161) 1.117 17.448 ( -0.393 1.033 -0.161) 1.117 19.964 ( -4.917 -4.017 -0.744) 6.393 19.964 ( -4.917 4.017 -0.744) 6.393 20.207 ( -3.244 -1.966 1.629) 4.128 20.207 ( -3.244 1.966 1.629) 4.128 20.423 ( 2.896 -2.398 2.792) 4.683 20.423 ( 2.896 2.398 2.792) 4.683 20.800 ( 2.616 -1.229 -0.385) 2.916 20.800 ( 2.616 1.229 -0.385) 2.916 22.276 ( -8.903 -1.562 -1.857) 9.228 22.276 ( -8.903 1.562 -1.857) 9.228 22.336 ( -6.484 -1.637 1.192) 6.793 22.336 ( -6.484 1.637 1.192) 6.793 22.897 ( 10.714 -1.777 -1.445) 10.956 22.897 ( 10.714 1.777 -1.445) 10.956 22.978 ( 6.948 -1.690 1.382) 7.283 22.978 ( 6.948 1.690 1.382) 7.283 27.157 ( -22.647 -4.448 -1.176) 23.110 27.157 ( -22.647 4.448 -1.176) 23.110 27.524 ( -19.699 -15.951 3.829) 25.634 27.524 ( -19.699 15.951 3.829) 25.634 28.501 ( 20.326 -7.324 -0.887) 21.623 28.501 ( 20.326 7.324 -0.887) 21.623 28.662 ( 18.817 -10.203 1.184) 21.438 28.662 ( 18.817 10.203 1.184) 21.438 30.483 ( -8.361 -4.397 -0.625) 9.467 30.483 ( -8.361 4.397 -0.625) 9.467 30.710 ( -1.990 -3.789 0.477) 4.306 30.710 ( -1.990 3.789 0.477) 4.306 31.140 ( -6.293 -3.441 0.792) 7.215 31.140 ( -6.293 3.441 0.792) 7.215 31.251 ( -5.037 -4.007 0.964) 6.509 31.251 ( -5.037 4.007 0.964) 6.509 31.650 ( 6.336 -5.175 -1.521) 8.321 31.650 ( 6.336 5.175 -1.521) 8.321 31.872 ( 5.898 -3.331 -0.657) 6.805 31.872 ( 5.898 3.331 -0.657) 6.805 32.244 ( -6.151 -8.047 4.894) 11.249 32.244 ( -6.151 8.047 4.894) 11.249 32.741 ( 6.149 -14.395 13.615) 20.746 32.741 ( 6.149 14.395 13.615) 20.746 32.971 ( -6.148 -1.130 -0.917) 6.318 32.971 ( -6.148 1.130 -0.917) 6.318 33.359 ( -5.860 -1.527 -0.806) 6.109 33.359 ( -5.860 1.527 -0.806) 6.109 33.706 ( 4.343 -5.539 4.408) 8.305 33.706 ( 4.343 5.539 4.408) 8.305 34.021 ( 10.332 -0.941 3.688) 11.011 34.021 ( 10.332 0.941 3.688) 11.011 34.984 ( -0.242 -1.241 2.372) 2.688 34.984 ( -0.242 1.241 2.372) 2.688 35.134 ( -1.165 -0.071 -5.995) 6.108 35.134 ( -1.165 0.071 -5.995) 6.108 35.871 ( -2.060 -3.205 2.255) 4.428 35.871 ( -2.060 3.205 2.255) 4.428 35.939 ( -2.831 -3.000 2.778) 4.973 35.939 ( -2.831 3.000 2.778) 4.973 36.076 ( -2.937 -0.477 -4.565) 5.449 36.076 ( -2.937 0.477 -4.565) 5.449 36.294 ( 6.227 -2.840 -17.071) 18.391 36.294 ( 6.227 2.840 -17.071) 18.391 37.334 ( -16.841 -8.515 -2.248) 19.005 37.334 ( -16.841 8.515 -2.248) 19.005 38.272 ( 17.938 -10.175 2.711) 20.800 38.272 ( 17.938 10.175 2.711) 20.800 ======================= Grid point 77 (41/69) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -16.890 -18.159 -2.706) 24.947 1.335 ( -16.890 18.159 -2.706) 24.947 1.628 ( -21.331 -13.952 -0.468) 25.493 1.628 ( -21.331 13.952 -0.468) 25.493 2.127 ( -3.144 -7.561 1.137) 8.267 2.127 ( -3.144 7.561 1.137) 8.267 2.279 ( -1.146 -9.091 0.714) 9.191 2.279 ( -1.146 9.091 0.714) 9.191 2.547 ( -2.820 -10.749 6.074) 12.665 2.547 ( -2.820 10.749 6.074) 12.665 2.623 ( 1.951 -2.050 -6.455) 7.048 2.623 ( 1.951 2.050 -6.455) 7.048 2.823 ( 1.036 -2.239 0.872) 2.617 2.823 ( 1.036 2.239 0.872) 2.617 2.991 ( 1.707 -5.617 -5.337) 7.934 2.991 ( 1.707 5.617 -5.337) 7.934 3.075 ( -3.091 -6.825 -5.208) 9.125 3.075 ( -3.091 6.825 -5.208) 9.125 3.222 ( -0.390 -2.431 5.178) 5.733 3.222 ( -0.390 2.431 5.178) 5.733 3.443 ( -1.246 -5.617 2.899) 6.443 3.443 ( -1.246 5.617 2.899) 6.443 3.473 ( 0.123 -4.795 -1.632) 5.067 3.473 ( 0.123 4.795 -1.632) 5.067 3.575 ( -4.435 -1.893 1.323) 5.000 3.575 ( -4.435 1.893 1.323) 5.000 3.720 ( -5.816 -7.873 -0.299) 9.793 3.720 ( -5.816 7.873 -0.299) 9.793 3.862 ( -2.345 -3.347 1.206) 4.261 3.862 ( -2.345 3.347 1.206) 4.261 4.084 ( -5.507 -2.768 2.246) 6.560 4.084 ( -5.507 2.768 2.246) 6.560 4.190 ( -7.524 -9.749 3.427) 12.783 4.190 ( -7.524 9.749 3.427) 12.783 4.438 ( -4.843 -0.810 -2.108) 5.344 4.438 ( -4.843 0.810 -2.108) 5.344 4.560 ( -1.575 -2.202 -3.973) 4.807 4.560 ( -1.575 2.202 -3.973) 4.807 4.652 ( -6.213 -7.159 3.171) 9.996 4.652 ( -6.213 7.159 3.171) 9.996 4.786 ( -0.225 -4.933 -3.060) 5.809 4.786 ( -0.225 4.933 -3.060) 5.809 4.946 ( 7.808 -2.022 1.278) 8.166 4.946 ( 7.808 2.022 1.278) 8.166 5.148 ( 4.381 -4.948 -1.383) 6.751 5.148 ( 4.381 4.948 -1.383) 6.751 5.316 ( 0.701 -1.395 1.235) 1.991 5.316 ( 0.701 1.395 1.235) 1.991 5.479 ( -0.093 -1.926 -0.549) 2.005 5.479 ( -0.093 1.926 -0.549) 2.005 5.593 ( -0.435 -3.808 1.654) 4.174 5.593 ( -0.435 3.808 1.654) 4.174 5.743 ( 1.067 -4.268 -3.054) 5.356 5.743 ( 1.067 4.268 -3.054) 5.356 5.893 ( 0.679 -2.619 0.365) 2.730 5.893 ( 0.679 2.619 0.365) 2.730 6.065 ( 4.258 -1.587 2.623) 5.247 6.065 ( 4.258 1.587 2.623) 5.247 6.183 ( -1.577 -7.022 2.345) 7.570 6.183 ( -1.577 7.022 2.345) 7.570 6.315 ( 0.018 -2.972 -1.588) 3.370 6.315 ( 0.018 2.972 -1.588) 3.370 6.535 ( 2.599 -3.999 0.114) 4.771 6.535 ( 2.599 3.999 0.114) 4.771 6.702 ( 0.620 -1.764 1.139) 2.189 6.702 ( 0.620 1.764 1.139) 2.189 6.868 ( 1.611 -1.823 0.083) 2.434 6.868 ( 1.611 1.823 0.083) 2.434 7.038 ( -2.456 -1.920 2.837) 4.216 7.038 ( -2.456 1.920 2.837) 4.216 7.206 ( -1.858 -1.739 -0.908) 2.702 7.206 ( -1.858 1.739 -0.908) 2.702 7.424 ( 1.110 -2.655 -3.628) 4.631 7.424 ( 1.110 2.655 -3.628) 4.631 7.632 ( 1.285 -4.457 -0.199) 4.642 7.632 ( 1.285 4.457 -0.199) 4.642 8.369 ( 17.616 -3.456 -0.571) 17.961 8.369 ( 17.616 3.456 -0.571) 17.961 8.483 ( 16.456 -4.032 -0.750) 16.959 8.483 ( 16.456 4.032 -0.750) 16.959 9.063 ( -0.270 -2.974 -0.943) 3.132 9.063 ( -0.270 2.974 -0.943) 3.132 9.201 ( -1.165 -2.871 0.796) 3.199 9.201 ( -1.165 2.871 0.796) 3.199 9.373 ( -3.564 -1.487 1.371) 4.098 9.373 ( -3.564 1.487 1.371) 4.098 9.428 ( -5.613 -1.612 0.741) 5.887 9.428 ( -5.613 1.612 0.741) 5.887 9.514 ( -3.680 -1.634 0.000) 4.026 9.514 ( -3.680 1.634 0.000) 4.026 9.719 ( -3.455 -1.493 -0.748) 3.837 9.719 ( -3.455 1.493 -0.748) 3.837 9.960 ( -0.221 -5.266 0.145) 5.273 9.960 ( -0.221 5.266 0.145) 5.273 10.253 ( 12.632 -2.074 -1.424) 12.880 10.253 ( 12.632 2.074 -1.424) 12.880 10.394 ( 12.957 -5.249 0.488) 13.989 10.394 ( 12.957 5.249 0.488) 13.989 10.636 ( 7.817 -4.143 0.346) 8.854 10.636 ( 7.817 4.143 0.346) 8.854 10.847 ( 4.963 -5.540 0.377) 7.448 10.847 ( 4.963 5.540 0.377) 7.448 10.981 ( 6.081 -6.846 0.116) 9.158 10.981 ( 6.081 6.846 0.116) 9.158 11.581 ( -10.029 -1.805 -1.015) 10.241 11.581 ( -10.029 1.805 -1.015) 10.241 11.646 ( -11.121 -2.461 0.962) 11.431 11.646 ( -11.121 2.461 0.962) 11.431 12.162 ( -1.848 -5.947 0.237) 6.232 12.162 ( -1.848 5.947 0.237) 6.232 12.350 ( -1.308 -5.800 0.113) 5.946 12.350 ( -1.308 5.800 0.113) 5.946 12.393 ( 4.394 -2.333 -0.088) 4.976 12.393 ( 4.394 2.333 -0.088) 4.976 12.507 ( 3.710 -3.533 0.012) 5.123 12.507 ( 3.710 3.533 0.012) 5.123 12.811 ( -1.073 -7.945 0.155) 8.019 12.811 ( -1.073 7.945 0.155) 8.019 12.924 ( 0.188 -4.959 -0.452) 4.983 12.924 ( 0.188 4.959 -0.452) 4.983 13.508 ( -7.214 -5.055 -0.451) 8.820 13.508 ( -7.214 5.055 -0.451) 8.820 13.541 ( -7.510 -4.927 0.531) 8.997 13.541 ( -7.510 4.927 0.531) 8.997 14.198 ( 1.145 -3.719 0.051) 3.892 14.198 ( 1.145 3.719 0.051) 3.892 14.268 ( 3.306 -6.476 -0.564) 7.293 14.268 ( 3.306 6.476 -0.564) 7.293 14.576 ( -4.644 -11.923 0.482) 12.804 14.576 ( -4.644 11.923 0.482) 12.804 14.787 ( -1.846 -1.247 -0.270) 2.244 14.787 ( -1.846 1.247 -0.270) 2.244 15.105 ( -7.617 -9.737 0.227) 12.364 15.105 ( -7.617 9.737 0.227) 12.364 15.245 ( -7.212 -1.700 -1.150) 7.498 15.245 ( -7.212 1.700 -1.150) 7.498 15.520 ( -0.042 -2.617 0.323) 2.637 15.520 ( -0.042 2.617 0.323) 2.637 15.666 ( 5.803 -1.601 -0.249) 6.025 15.666 ( 5.803 1.601 -0.249) 6.025 15.879 ( -4.053 -1.922 -0.905) 4.575 15.879 ( -4.053 1.922 -0.905) 4.575 16.223 ( 1.557 -2.013 1.191) 2.810 16.223 ( 1.557 2.013 1.191) 2.810 16.666 ( -2.772 -1.933 -0.828) 3.479 16.666 ( -2.772 1.933 -0.828) 3.479 16.758 ( -1.304 -5.667 2.521) 6.338 16.758 ( -1.304 5.667 2.521) 6.338 17.350 ( 0.104 -0.502 -0.186) 0.546 17.350 ( 0.104 0.502 -0.186) 0.546 17.433 ( -0.954 -0.878 -0.457) 1.375 17.433 ( -0.954 0.878 -0.457) 1.375 19.894 ( -2.859 -5.520 -0.729) 6.259 19.894 ( -2.859 5.520 -0.729) 6.259 20.151 ( -5.424 -3.036 1.014) 6.298 20.151 ( -5.424 3.036 1.014) 6.298 20.502 ( 2.881 -1.821 2.118) 4.012 20.502 ( 2.881 1.821 2.118) 4.012 20.827 ( 1.836 -0.740 -1.058) 2.245 20.827 ( 1.836 0.740 -1.058) 2.245 22.120 ( -7.607 -0.749 -1.741) 7.840 22.120 ( -7.607 0.749 -1.741) 7.840 22.261 ( -4.993 -0.597 1.204) 5.171 22.261 ( -4.993 0.597 1.204) 5.171 23.034 ( 9.599 -1.070 -2.663) 10.019 23.034 ( 9.599 1.070 -2.663) 10.019 23.123 ( 8.644 -1.368 2.762) 9.177 23.123 ( 8.644 1.368 2.762) 9.177 26.831 ( -18.027 -2.270 0.020) 18.170 26.831 ( -18.027 2.270 0.020) 18.170 27.183 ( -26.875 -16.614 0.421) 31.598 27.183 ( -26.875 16.614 0.421) 31.598 28.806 ( 18.202 -4.953 -0.132) 18.864 28.806 ( 18.202 4.953 -0.132) 18.864 28.960 ( 18.955 -9.413 -0.260) 21.165 28.960 ( 18.955 9.413 -0.260) 21.165 30.316 ( -12.468 -8.049 0.303) 14.844 30.316 ( -12.468 8.049 0.303) 14.844 30.699 ( 0.101 -4.477 0.492) 4.505 30.699 ( 0.101 4.477 0.492) 4.505 31.067 ( -4.500 -5.639 0.927) 7.273 31.067 ( -4.500 5.639 0.927) 7.273 31.153 ( -7.503 -1.963 -0.423) 7.767 31.153 ( -7.503 1.963 -0.423) 7.767 31.703 ( 1.212 -6.023 -0.706) 6.185 31.703 ( 1.212 6.023 -0.706) 6.185 31.969 ( 8.872 -1.850 -1.219) 9.145 31.969 ( 8.872 1.850 -1.219) 9.145 32.231 ( 0.178 -6.131 1.756) 6.380 32.231 ( 0.178 6.131 1.756) 6.380 32.761 ( -7.957 -2.207 -0.537) 8.275 32.761 ( -7.957 2.207 -0.537) 8.275 32.952 ( -7.100 -3.482 2.889) 8.420 32.952 ( -7.100 3.482 2.889) 8.420 33.370 ( 7.390 -4.778 1.026) 8.860 33.370 ( 7.390 4.778 1.026) 8.860 33.950 ( 19.457 -14.990 7.177) 25.588 33.950 ( 19.457 14.990 7.177) 25.588 34.203 ( 9.229 -0.833 0.878) 9.308 34.203 ( 9.229 0.833 0.878) 9.308 34.990 ( -1.945 -0.343 0.023) 1.975 34.990 ( -1.945 0.343 0.023) 1.975 35.042 ( -0.901 -0.277 -6.327) 6.397 35.042 ( -0.901 0.277 -6.327) 6.397 35.812 ( -4.444 -2.386 -2.088) 5.459 35.812 ( -4.444 2.386 -2.088) 5.459 35.910 ( -1.995 -0.608 -0.820) 2.241 35.910 ( -1.995 0.608 -0.820) 2.241 36.027 ( -2.320 -1.909 -8.510) 9.025 36.027 ( -2.320 1.909 -8.510) 9.025 36.212 ( 1.330 -2.978 3.689) 4.924 36.212 ( 1.330 2.978 3.689) 4.924 37.056 ( -17.396 -8.397 2.386) 19.463 37.056 ( -17.396 8.397 2.386) 19.463 38.557 ( 15.749 -10.533 0.281) 18.949 38.557 ( 15.749 10.533 0.281) 18.949 ======================= Grid point 79 (42/69) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -7.972 -20.025 13.350) 25.353 1.159 ( -7.972 20.025 13.350) 25.353 1.415 ( -13.322 -21.542 8.679) 26.774 1.415 ( -13.322 21.542 8.679) 26.774 2.079 ( -3.840 -13.847 -1.063) 14.409 2.079 ( -3.840 13.847 -1.063) 14.409 2.198 ( -7.129 -28.909 -0.426) 29.778 2.198 ( -7.129 28.909 -0.426) 29.778 2.579 ( 2.709 -7.616 2.102) 8.352 2.579 ( 2.709 7.616 2.102) 8.352 2.658 ( 4.109 -2.253 -3.713) 5.979 2.658 ( 4.109 2.253 -3.713) 5.979 2.803 ( -3.640 -8.907 0.980) 9.672 2.803 ( -3.640 8.907 0.980) 9.672 2.934 ( -0.832 -3.540 0.372) 3.656 2.934 ( -0.832 3.540 0.372) 3.656 3.080 ( 5.959 -2.758 -2.256) 6.943 3.080 ( 5.959 2.758 -2.256) 6.943 3.256 ( 0.100 -4.408 -0.755) 4.473 3.256 ( 0.100 4.408 -0.755) 4.473 3.380 ( -2.372 -3.040 2.832) 4.784 3.380 ( -2.372 3.040 2.832) 4.784 3.467 ( -3.877 -1.423 2.867) 5.027 3.467 ( -3.877 1.423 2.867) 5.027 3.581 ( -5.670 -1.147 -2.089) 6.150 3.581 ( -5.670 1.147 -2.089) 6.150 3.669 ( 1.885 -2.985 5.370) 6.427 3.669 ( 1.885 2.985 5.370) 6.427 3.853 ( -2.267 -4.243 2.467) 5.407 3.853 ( -2.267 4.243 2.467) 5.407 4.069 ( -0.001 -5.614 1.634) 5.847 4.069 ( -0.001 5.614 1.634) 5.847 4.129 ( -4.595 -8.272 1.635) 9.603 4.129 ( -4.595 8.272 1.635) 9.603 4.328 ( -4.482 -4.319 -4.035) 7.418 4.328 ( -4.482 4.319 -4.035) 7.418 4.471 ( -2.016 -3.957 -1.997) 4.869 4.471 ( -2.016 3.957 -1.997) 4.869 4.574 ( -6.438 -9.604 2.644) 11.861 4.574 ( -6.438 9.604 2.644) 11.861 4.800 ( 1.248 -2.555 3.388) 4.423 4.800 ( 1.248 2.555 3.388) 4.423 5.087 ( 6.440 -2.256 1.384) 6.963 5.087 ( 6.440 2.256 1.384) 6.963 5.174 ( 3.121 -5.806 -4.603) 8.040 5.174 ( 3.121 5.806 -4.603) 8.040 5.315 ( -1.604 -2.480 1.735) 3.425 5.315 ( -1.604 2.480 1.735) 3.425 5.456 ( -1.495 -4.384 -0.315) 4.642 5.456 ( -1.495 4.384 -0.315) 4.642 5.559 ( -4.112 -5.498 -0.497) 6.883 5.559 ( -4.112 5.498 -0.497) 6.883 5.754 ( 3.364 -2.554 -1.655) 4.536 5.754 ( 3.364 2.554 -1.655) 4.536 5.909 ( 3.008 -6.548 -5.062) 8.806 5.909 ( 3.008 6.548 -5.062) 8.806 6.091 ( 3.428 -2.750 -3.912) 5.884 6.091 ( 3.428 2.750 -3.912) 5.884 6.167 ( -5.985 -4.862 0.958) 7.770 6.167 ( -5.985 4.862 0.958) 7.770 6.317 ( 2.227 -4.786 -0.965) 5.366 6.317 ( 2.227 4.786 -0.965) 5.366 6.540 ( 0.273 -3.048 -1.610) 3.458 6.540 ( 0.273 3.048 -1.610) 3.458 6.747 ( 1.912 -6.870 -1.220) 7.235 6.747 ( 1.912 6.870 -1.220) 7.235 6.890 ( 1.204 -1.970 1.191) 2.598 6.890 ( 1.204 1.970 1.191) 2.598 7.034 ( -3.899 -1.764 3.230) 5.362 7.034 ( -3.899 1.764 3.230) 5.362 7.169 ( -0.197 -0.171 -0.425) 0.499 7.169 ( -0.197 0.171 -0.425) 0.499 7.442 ( 3.960 -1.866 0.208) 4.383 7.442 ( 3.960 1.866 0.208) 4.383 7.641 ( 0.308 -3.052 0.033) 3.068 7.641 ( 0.308 3.052 0.033) 3.068 8.635 ( 15.000 -3.671 0.245) 15.445 8.635 ( 15.000 3.671 0.245) 15.445 8.738 ( 16.615 -1.236 -1.121) 16.699 8.738 ( 16.615 1.236 -1.121) 16.699 9.054 ( 0.900 -4.781 -1.084) 4.984 9.054 ( 0.900 4.781 -1.084) 4.984 9.178 ( -3.101 -2.128 0.195) 3.766 9.178 ( -3.101 2.128 0.195) 3.766 9.303 ( -5.423 -2.748 -0.860) 6.140 9.303 ( -5.423 2.748 -0.860) 6.140 9.354 ( -4.169 -2.016 -0.512) 4.659 9.354 ( -4.169 2.016 -0.512) 4.659 9.476 ( -2.306 -1.235 1.554) 3.042 9.476 ( -2.306 1.235 1.554) 3.042 9.646 ( -3.707 -2.652 -1.083) 4.685 9.646 ( -3.707 2.652 -1.083) 4.685 9.967 ( -0.717 -6.842 2.069) 7.184 9.967 ( -0.717 6.842 2.069) 7.184 10.426 ( 10.548 -2.091 -0.617) 10.771 10.426 ( 10.548 2.091 -0.617) 10.771 10.570 ( 7.106 -7.914 0.960) 10.679 10.570 ( 7.106 7.914 0.960) 10.679 10.739 ( 6.049 -4.642 -1.107) 7.705 10.739 ( 6.049 4.642 -1.107) 7.705 10.924 ( 4.555 -3.795 -0.689) 5.969 10.924 ( 4.555 3.795 -0.689) 5.969 11.086 ( 5.502 -6.074 0.319) 8.202 11.086 ( 5.502 6.074 0.319) 8.202 11.430 ( -7.111 -2.640 -1.067) 7.660 11.430 ( -7.111 2.640 -1.067) 7.660 11.485 ( -9.361 -4.221 0.687) 10.291 11.485 ( -9.361 4.221 0.687) 10.291 12.133 ( -2.664 -6.874 1.071) 7.450 12.133 ( -2.664 6.874 1.071) 7.450 12.328 ( -0.622 -5.750 -0.981) 5.866 12.328 ( -0.622 5.750 -0.981) 5.866 12.465 ( 4.166 -0.770 0.834) 4.318 12.465 ( 4.166 0.770 0.834) 4.318 12.564 ( 3.560 -3.246 -0.628) 4.859 12.564 ( 3.560 3.246 -0.628) 4.859 12.798 ( -1.194 -8.176 0.796) 8.301 12.798 ( -1.194 8.176 0.796) 8.301 12.908 ( -1.185 -4.163 -0.866) 4.415 12.908 ( -1.185 4.163 -0.866) 4.415 13.391 ( -6.066 -3.561 -0.626) 7.062 13.391 ( -6.066 3.561 -0.626) 7.062 13.439 ( -5.874 -3.101 0.800) 6.691 13.439 ( -5.874 3.101 0.800) 6.691 14.247 ( 4.006 -3.471 0.157) 5.303 14.247 ( 4.006 3.471 0.157) 5.303 14.329 ( 3.725 -3.042 -0.833) 4.881 14.329 ( 3.725 3.042 -0.833) 4.881 14.524 ( -1.415 -12.647 1.628) 12.830 14.524 ( -1.415 12.647 1.628) 12.830 14.708 ( -6.446 -4.163 -0.136) 7.675 14.708 ( -6.446 4.163 -0.136) 7.675 14.952 ( -11.327 -6.947 0.164) 13.289 14.952 ( -11.327 6.947 0.164) 13.289 15.125 ( -5.074 -2.617 -2.130) 6.093 15.125 ( -5.074 2.617 -2.130) 6.093 15.478 ( -5.432 -8.838 1.601) 10.496 15.478 ( -5.432 8.838 1.601) 10.496 15.778 ( 8.996 -2.315 -1.632) 9.431 15.778 ( 8.996 2.315 -1.632) 9.431 15.863 ( 1.508 -1.709 -0.842) 2.430 15.863 ( 1.508 1.709 -0.842) 2.430 16.248 ( 3.129 -4.529 -4.479) 7.096 16.248 ( 3.129 4.529 -4.479) 7.096 16.620 ( -1.893 -1.503 -0.167) 2.422 16.620 ( -1.893 1.503 -0.167) 2.422 16.708 ( -7.107 -4.981 -0.108) 8.679 16.708 ( -7.107 4.981 -0.108) 8.679 17.354 ( 0.383 -0.324 0.234) 0.554 17.354 ( 0.383 0.324 0.234) 0.554 17.414 ( -0.551 -0.549 -0.405) 0.877 17.414 ( -0.551 0.549 -0.405) 0.877 19.857 ( -0.888 -6.356 -0.884) 6.479 19.857 ( -0.888 6.356 -0.884) 6.479 20.073 ( -4.056 -3.117 -1.075) 5.227 20.073 ( -4.056 3.117 -1.075) 5.227 20.548 ( 0.387 -1.164 1.563) 1.987 20.548 ( 0.387 1.164 1.563) 1.987 20.835 ( 1.091 -1.053 -1.286) 1.988 20.835 ( 1.091 1.053 -1.286) 1.988 22.024 ( -3.329 -1.188 0.384) 3.556 22.024 ( -3.329 1.188 0.384) 3.556 22.207 ( -3.147 -1.360 0.488) 3.463 22.207 ( -3.147 1.360 0.488) 3.463 23.122 ( 5.957 -1.378 -3.421) 7.006 23.122 ( 5.957 1.378 -3.421) 7.006 23.300 ( 8.296 -0.537 3.367) 8.969 23.300 ( 8.296 0.537 3.367) 8.969 26.610 ( -10.376 -0.814 0.262) 10.411 26.610 ( -10.376 0.814 0.262) 10.411 26.755 ( -23.432 -7.748 -1.717) 24.740 26.755 ( -23.432 7.748 -1.717) 24.740 29.034 ( 10.065 -2.817 0.947) 10.495 29.034 ( 10.065 2.817 0.947) 10.495 29.233 ( 16.063 -7.741 -1.040) 17.861 29.233 ( 16.063 7.741 -1.040) 17.861 30.126 ( -12.702 -10.931 2.434) 16.933 30.126 ( -12.702 10.931 2.434) 16.933 30.722 ( 1.998 -2.733 -0.075) 3.386 30.722 ( 1.998 2.733 -0.075) 3.386 30.990 ( -4.817 -7.054 -3.265) 9.145 30.990 ( -4.817 7.054 -3.265) 9.145 31.056 ( -3.635 -3.023 1.227) 4.884 31.056 ( -3.635 3.023 1.227) 4.884 31.687 ( -1.775 -6.348 0.418) 6.604 31.687 ( -1.775 6.348 0.418) 6.604 32.118 ( 10.434 -3.181 -0.155) 10.909 32.118 ( 10.434 3.181 -0.155) 10.909 32.275 ( 3.178 -4.670 -0.258) 5.655 32.275 ( 3.178 4.670 -0.258) 5.655 32.635 ( -5.085 -2.378 -2.156) 6.013 32.635 ( -5.085 2.378 -2.156) 6.013 32.788 ( -12.008 -0.746 -1.746) 12.157 32.788 ( -12.008 0.746 -1.746) 12.157 33.456 ( 5.553 -4.816 -7.084) 10.208 33.456 ( 5.553 4.816 -7.084) 10.208 34.197 ( 15.537 -10.574 -28.917) 34.488 34.197 ( 15.537 10.574 -28.917) 34.488 34.318 ( 9.809 -3.804 -13.732) 17.299 34.318 ( 9.809 3.804 -13.732) 17.299 34.915 ( 0.635 -0.581 0.860) 1.217 34.915 ( 0.635 0.581 0.860) 1.217 35.026 ( -0.928 -0.903 3.363) 3.604 35.026 ( -0.928 0.903 3.363) 3.604 35.720 ( -3.852 -2.039 -3.871) 5.829 35.720 ( -3.852 2.039 -3.871) 5.829 35.761 ( -5.331 -2.879 -4.224) 7.386 35.761 ( -5.331 2.879 -4.224) 7.386 35.967 ( -0.434 -1.231 3.935) 4.145 35.967 ( -0.434 1.231 3.935) 4.145 36.481 ( 5.980 -6.368 26.864) 28.249 36.481 ( 5.980 6.368 26.864) 28.249 36.898 ( -14.665 -10.593 17.742) 25.339 36.898 ( -14.665 10.593 17.742) 25.339 38.743 ( 9.695 -10.483 -3.310) 14.658 38.743 ( 9.695 10.483 -3.310) 14.658 ======================= Grid point 90 (43/69) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.099 0.000 23.049) 23.411 1.072 ( -3.121 0.000 24.480) 24.678 1.349 ( -1.139 0.000 -19.410) 19.444 1.646 ( 2.402 0.000 -23.678) 23.799 2.049 ( 4.701 0.000 33.128) 33.459 2.246 ( -2.230 0.000 7.719) 8.035 2.339 ( 2.157 0.000 -7.038) 7.361 2.505 ( -3.289 0.000 24.939) 25.155 2.585 ( -4.913 0.000 -14.972) 15.757 2.795 ( -1.629 0.000 3.857) 4.187 2.804 ( -3.099 0.000 20.520) 20.753 2.885 ( 4.216 0.000 -2.579) 4.942 2.898 ( -10.155 0.000 -4.762) 11.216 2.910 ( 5.411 0.000 6.469) 8.434 2.920 ( 3.565 0.000 6.445) 7.365 2.973 ( 3.004 0.000 1.435) 3.329 3.038 ( 4.706 0.000 -5.697) 7.390 3.096 ( -4.292 0.000 5.696) 7.131 3.165 ( 6.007 0.000 -3.717) 7.064 3.197 ( -0.584 0.000 -14.598) 14.609 3.207 ( -7.497 0.000 4.167) 8.577 3.344 ( 2.973 0.000 -1.732) 3.441 3.441 ( 5.440 0.000 3.061) 6.242 3.469 ( -4.558 0.000 0.248) 4.564 3.570 ( 0.108 0.000 -3.666) 3.668 3.574 ( 7.839 0.000 -1.668) 8.014 3.583 ( 0.291 0.000 0.385) 0.483 3.625 ( -6.741 0.000 -8.150) 10.576 3.791 ( 1.853 0.000 2.722) 3.293 3.829 ( -8.818 0.000 -1.826) 9.005 3.968 ( 4.667 0.000 6.999) 8.412 3.996 ( 5.252 0.000 1.136) 5.373 4.072 ( 3.526 0.000 -0.107) 3.528 4.090 ( -6.435 0.000 -5.202) 8.274 4.309 ( -6.797 0.000 1.497) 6.960 4.336 ( 4.741 0.000 -2.577) 5.396 4.442 ( -2.189 0.000 1.175) 2.485 4.494 ( -1.560 0.000 -2.476) 2.926 4.704 ( 0.071 0.000 2.245) 2.247 4.731 ( 0.927 0.000 -0.014) 0.927 4.776 ( 0.799 0.000 4.940) 5.004 4.899 ( -3.567 0.000 -7.575) 8.373 5.040 ( 1.654 0.000 0.598) 1.759 5.045 ( 1.984 0.000 0.554) 2.060 5.097 ( -4.531 0.000 6.220) 7.695 5.135 ( -3.929 0.000 -1.485) 4.200 5.178 ( 0.494 0.000 -4.534) 4.561 5.274 ( 6.134 0.000 -6.247) 8.755 5.367 ( -2.266 0.000 -0.229) 2.277 5.448 ( 3.683 0.000 -7.791) 8.618 5.504 ( -0.330 0.000 4.251) 4.263 5.535 ( 7.946 0.000 1.569) 8.100 5.571 ( -0.434 0.000 -4.246) 4.268 5.725 ( -8.843 0.000 -11.584) 14.573 5.800 ( 2.987 0.000 8.830) 9.322 5.929 ( 0.736 0.000 4.413) 4.474 5.999 ( 2.216 0.000 -2.096) 3.050 6.055 ( -0.057 0.000 -6.804) 6.804 6.150 ( 3.198 0.000 -5.784) 6.610 6.174 ( -5.505 0.000 -2.039) 5.871 6.424 ( 1.743 0.000 4.344) 4.680 6.497 ( -1.759 0.000 -1.278) 2.175 6.597 ( 1.913 0.000 1.990) 2.761 6.604 ( -2.171 0.000 0.790) 2.310 6.719 ( -1.119 0.000 1.499) 1.871 6.771 ( -1.562 0.000 -2.966) 3.352 6.985 ( 3.568 0.000 1.492) 3.867 7.009 ( -2.654 0.000 -0.589) 2.719 7.035 ( -3.046 0.000 3.766) 4.844 7.120 ( 2.680 0.000 -3.876) 4.712 7.189 ( 3.203 0.000 0.793) 3.299 7.198 ( -1.909 0.000 -0.106) 1.912 7.593 ( 2.566 0.000 2.072) 3.298 7.617 ( -1.330 0.000 0.043) 1.331 7.708 ( -3.393 0.000 1.928) 3.903 7.728 ( 4.119 0.000 0.030) 4.119 8.654 ( -0.140 0.000 2.718) 2.722 8.717 ( -0.629 0.000 -3.291) 3.350 8.826 ( 3.542 0.000 0.618) 3.596 8.841 ( -1.321 0.000 -0.644) 1.469 8.996 ( 0.837 0.000 1.394) 1.626 9.036 ( -0.121 0.000 -2.089) 2.093 9.206 ( -9.089 0.000 1.517) 9.215 9.227 ( 7.380 0.000 -0.617) 7.406 9.261 ( -4.569 0.000 0.108) 4.571 9.281 ( 0.783 0.000 -1.768) 1.934 9.320 ( 6.304 0.000 1.160) 6.410 9.371 ( -4.841 0.000 -3.166) 5.784 9.442 ( -1.803 0.000 -0.509) 1.874 9.458 ( 3.491 0.000 -2.034) 4.040 9.606 ( -5.502 0.000 3.404) 6.470 9.673 ( 5.043 0.000 -3.058) 5.898 10.018 ( -2.834 0.000 8.158) 8.637 10.177 ( 3.149 0.000 -6.054) 6.824 10.307 ( -3.087 0.000 2.368) 3.891 10.349 ( 2.173 0.000 -1.685) 2.750 10.560 ( 0.665 0.000 0.737) 0.993 10.584 ( -0.154 0.000 -2.362) 2.367 10.868 ( 1.063 0.000 0.060) 1.064 10.871 ( -1.714 0.000 0.091) 1.717 10.899 ( 2.630 0.000 0.151) 2.634 10.911 ( -3.851 0.000 -0.799) 3.933 11.119 ( 4.695 0.000 1.304) 4.873 11.152 ( -4.100 0.000 -1.810) 4.482 11.223 ( -1.132 0.000 0.286) 1.168 11.228 ( 1.861 0.000 -0.207) 1.872 11.706 ( -2.138 0.000 0.269) 2.154 11.712 ( 2.119 0.000 -0.227) 2.131 11.992 ( -3.116 0.000 3.417) 4.625 12.069 ( 3.140 0.000 -3.839) 4.960 12.369 ( -2.463 0.000 2.236) 3.327 12.391 ( 0.989 0.000 0.654) 1.186 12.419 ( -0.424 0.000 -0.548) 0.693 12.421 ( 1.785 0.000 -0.630) 1.893 12.451 ( -1.354 0.000 -0.147) 1.362 12.463 ( 1.758 0.000 -1.468) 2.290 12.528 ( -2.110 0.000 1.431) 2.549 12.564 ( 1.125 0.000 -1.637) 1.986 13.027 ( 1.844 0.000 1.049) 2.122 13.042 ( -1.462 0.000 -0.312) 1.495 13.279 ( -0.946 0.000 1.579) 1.841 13.319 ( 1.016 0.000 -2.159) 2.386 13.429 ( 1.260 0.000 1.610) 2.045 13.456 ( -1.117 0.000 -0.934) 1.456 14.048 ( 0.760 0.000 1.183) 1.406 14.072 ( -0.570 0.000 -1.035) 1.182 14.226 ( 2.988 0.000 0.025) 2.988 14.227 ( -2.427 0.000 -0.078) 2.428 14.491 ( 0.957 0.000 0.736) 1.207 14.495 ( -2.257 0.000 0.467) 2.305 14.601 ( 0.813 0.000 -0.454) 0.931 14.602 ( 3.524 0.000 -0.467) 3.554 14.897 ( -3.632 0.000 1.544) 3.946 14.924 ( 2.058 0.000 -0.923) 2.256 15.027 ( 1.072 0.000 0.210) 1.092 15.041 ( 0.234 0.000 -1.176) 1.200 15.142 ( 4.960 0.000 2.216) 5.433 15.184 ( -5.459 0.000 -1.741) 5.730 15.805 ( 2.802 0.000 0.528) 2.852 15.809 ( -3.044 0.000 -0.100) 3.045 15.896 ( -3.628 0.000 1.033) 3.773 15.909 ( 2.602 0.000 -0.283) 2.617 16.114 ( 1.573 0.000 6.203) 6.399 16.250 ( -0.707 0.000 -6.251) 6.291 16.567 ( 1.356 0.000 0.749) 1.550 16.589 ( -3.155 0.000 -1.470) 3.481 16.639 ( 1.025 0.000 2.123) 2.357 16.678 ( -0.452 0.000 -1.503) 1.570 17.369 ( 0.639 0.000 0.260) 0.689 17.369 ( -0.333 0.000 0.668) 0.746 17.393 ( -0.917 0.000 0.742) 1.179 17.415 ( 0.976 0.000 -0.873) 1.309 19.774 ( -1.606 0.000 1.675) 2.321 19.828 ( 1.172 0.000 -3.474) 3.666 20.117 ( -0.371 0.000 1.316) 1.368 20.134 ( 0.409 0.000 -0.298) 0.506 20.567 ( -2.937 0.000 2.353) 3.763 20.599 ( 1.735 0.000 -0.297) 1.760 20.801 ( -1.080 0.000 -0.369) 1.141 20.820 ( 2.162 0.000 -1.887) 2.870 22.006 ( 0.749 0.000 3.369) 3.451 22.069 ( -0.087 0.000 -2.602) 2.604 22.220 ( 0.666 0.000 0.292) 0.727 22.226 ( -0.759 0.000 -0.293) 0.814 23.123 ( -2.926 0.000 -1.329) 3.214 23.126 ( 2.646 0.000 -1.738) 3.166 23.439 ( 0.424 0.000 1.116) 1.194 23.442 ( -1.346 0.000 0.875) 1.605 26.513 ( -0.180 0.000 -0.092) 0.202 26.514 ( 0.474 0.000 -0.149) 0.497 26.554 ( 0.354 0.000 0.448) 0.571 26.560 ( -0.063 0.000 -0.093) 0.112 29.126 ( 0.190 0.000 2.918) 2.924 29.185 ( -1.869 0.000 -2.192) 2.881 29.299 ( 4.027 0.000 4.474) 6.019 29.413 ( -1.505 0.000 -5.886) 6.075 29.715 ( -2.069 0.000 2.484) 3.233 29.773 ( 1.326 0.000 -2.976) 3.259 30.563 ( -0.733 0.000 9.752) 9.780 30.713 ( -0.079 0.000 -4.324) 4.325 30.842 ( -0.254 0.000 1.742) 1.761 30.875 ( 1.036 0.000 -1.753) 2.037 31.094 ( -1.759 0.000 1.360) 2.224 31.110 ( 0.269 0.000 -0.112) 0.291 31.495 ( -1.741 0.000 -0.061) 1.742 31.496 ( 1.525 0.000 -0.179) 1.536 32.054 ( 1.048 0.000 13.932) 13.972 32.173 ( 1.351 0.000 1.649) 2.132 32.197 ( -3.310 0.000 -1.371) 3.583 32.316 ( 5.018 0.000 -5.140) 7.183 32.403 ( -0.915 0.000 1.947) 2.152 32.505 ( 3.720 0.000 -7.717) 8.567 32.641 ( -6.489 0.000 3.477) 7.362 32.669 ( -3.432 0.000 1.545) 3.763 32.807 ( 3.832 0.000 -0.985) 3.956 33.018 ( 0.199 0.000 -25.938) 25.938 33.816 ( 0.150 0.000 3.929) 3.932 33.829 ( -0.659 0.000 -0.678) 0.945 34.062 ( 0.139 0.000 -2.863) 2.866 34.141 ( 0.038 0.000 -7.955) 7.955 35.038 ( -4.518 0.000 2.171) 5.013 35.057 ( 4.850 0.000 0.686) 4.898 35.121 ( 5.243 0.000 2.709) 5.901 35.143 ( -3.421 0.000 1.169) 3.615 35.576 ( -2.727 0.000 0.677) 2.810 35.614 ( 3.143 0.000 -2.593) 4.074 35.735 ( -1.178 0.000 -0.646) 1.343 35.736 ( 1.481 0.000 -0.785) 1.676 36.219 ( 0.327 0.000 11.369) 11.374 36.301 ( 0.457 0.000 11.224) 11.233 36.450 ( -0.076 0.000 -10.120) 10.120 36.524 ( -0.541 0.000 -9.595) 9.611 37.464 ( -0.187 0.000 30.588) 30.588 37.993 ( -0.125 0.000 -20.399) 20.399 38.858 ( -2.022 0.000 4.747) 5.160 38.961 ( 1.033 0.000 -4.857) 4.965 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 29.840 0.000 -14.838) 33.325 1.390 ( 29.143 0.000 18.029) 34.269 1.432 ( 3.066 0.000 17.858) 18.119 1.439 ( 8.014 0.000 -22.794) 24.162 2.115 ( -12.241 0.000 8.859) 15.110 2.178 ( -6.719 0.000 -11.625) 13.427 2.300 ( -4.881 0.000 -17.133) 17.815 2.513 ( 5.701 0.000 19.659) 20.469 2.709 ( -6.481 0.000 -11.265) 12.996 2.760 ( 2.871 0.000 15.263) 15.531 2.784 ( -2.696 0.000 1.617) 3.144 2.889 ( -4.188 0.000 6.104) 7.403 2.935 ( 1.348 0.000 2.818) 3.124 2.971 ( 2.754 0.000 -13.177) 13.462 2.997 ( 1.714 0.000 0.672) 1.841 3.004 ( 1.491 0.000 -8.500) 8.630 3.045 ( 2.597 0.000 -13.863) 14.104 3.115 ( 0.926 0.000 6.024) 6.095 3.163 ( 4.828 0.000 7.372) 8.812 3.223 ( 5.035 0.000 6.735) 8.409 3.227 ( 4.548 0.000 -4.395) 6.325 3.290 ( -10.688 0.000 -1.302) 10.767 3.413 ( 2.614 0.000 -1.616) 3.073 3.496 ( 8.425 0.000 2.924) 8.918 3.519 ( 2.508 0.000 2.211) 3.344 3.551 ( -1.740 0.000 -2.052) 2.690 3.622 ( 4.085 0.000 -0.558) 4.123 3.742 ( 9.514 0.000 -1.463) 9.625 3.792 ( 0.941 0.000 7.413) 7.472 3.883 ( 4.169 0.000 4.599) 6.208 3.910 ( -4.795 0.000 -9.441) 10.589 3.977 ( -2.115 0.000 -3.696) 4.259 4.055 ( 0.898 0.000 0.131) 0.908 4.184 ( 4.254 0.000 1.368) 4.469 4.247 ( 0.611 0.000 3.150) 3.209 4.399 ( 0.532 0.000 -3.804) 3.842 4.471 ( 4.388 0.000 4.876) 6.560 4.487 ( 1.105 0.000 3.356) 3.533 4.705 ( -2.453 0.000 -1.184) 2.724 4.735 ( -1.798 0.000 0.847) 1.987 4.789 ( 1.993 0.000 -6.598) 6.892 4.903 ( 4.545 0.000 10.080) 11.057 5.035 ( -0.614 0.000 0.138) 0.629 5.038 ( -0.586 0.000 -2.741) 2.803 5.069 ( -2.711 0.000 1.642) 3.169 5.142 ( -0.495 0.000 0.276) 0.566 5.178 ( 1.075 0.000 7.290) 7.369 5.302 ( 4.140 0.000 -7.508) 8.574 5.369 ( 0.927 0.000 3.058) 3.195 5.375 ( -4.241 0.000 -5.755) 7.149 5.524 ( -1.170 0.000 4.380) 4.534 5.537 ( 4.871 0.000 -8.732) 9.999 5.580 ( 4.033 0.000 -2.111) 4.552 5.735 ( 4.656 0.000 5.776) 7.418 5.884 ( -1.007 0.000 -10.563) 10.611 5.918 ( -1.911 0.000 10.655) 10.825 5.955 ( -4.784 0.000 -0.409) 4.801 5.973 ( -1.151 0.000 -5.972) 6.082 6.088 ( -1.782 0.000 2.954) 3.450 6.238 ( 7.141 0.000 2.363) 7.522 6.437 ( -2.156 0.000 -3.339) 3.975 6.488 ( 0.735 0.000 3.372) 3.451 6.559 ( -3.566 0.000 0.079) 3.567 6.595 ( -5.449 0.000 0.381) 5.462 6.721 ( -2.820 0.000 -1.893) 3.397 6.767 ( 2.973 0.000 4.461) 5.361 6.911 ( -4.709 0.000 1.309) 4.887 6.984 ( -3.896 0.000 -1.354) 4.125 7.032 ( -3.118 0.000 3.983) 5.059 7.098 ( -0.771 0.000 -4.943) 5.003 7.202 ( 4.327 0.000 1.141) 4.475 7.238 ( 2.211 0.000 -1.058) 2.451 7.517 ( -8.939 0.000 -2.154) 9.195 7.601 ( -2.704 0.000 -0.718) 2.797 7.654 ( -4.127 0.000 -2.368) 4.757 7.749 ( -0.581 0.000 1.386) 1.503 8.488 ( -19.504 0.000 -2.364) 19.647 8.529 ( -16.075 0.000 2.418) 16.256 8.772 ( -11.340 0.000 -0.721) 11.363 8.796 ( -2.814 0.000 -1.771) 3.325 9.032 ( -2.252 0.000 -0.944) 2.441 9.045 ( -3.155 0.000 -2.203) 3.848 9.121 ( 4.166 0.000 3.049) 5.163 9.126 ( -8.409 0.000 4.584) 9.577 9.309 ( 3.248 0.000 -0.511) 3.288 9.345 ( 5.216 0.000 -2.730) 5.887 9.359 ( 6.748 0.000 0.569) 6.772 9.411 ( 2.031 0.000 2.408) 3.150 9.432 ( 0.343 0.000 0.241) 0.419 9.519 ( 4.972 0.000 -1.203) 5.116 9.636 ( 4.089 0.000 3.399) 5.317 9.761 ( 8.936 0.000 -3.047) 9.441 10.062 ( -2.388 0.000 6.865) 7.268 10.121 ( 0.173 0.000 -7.859) 7.861 10.263 ( -6.414 0.000 2.348) 6.830 10.344 ( -1.110 0.000 -1.287) 1.700 10.503 ( -7.394 0.000 -1.840) 7.620 10.516 ( -6.964 0.000 1.020) 7.038 10.747 ( -12.590 0.000 -0.278) 12.593 10.796 ( -9.265 0.000 0.383) 9.272 10.814 ( -6.421 0.000 1.673) 6.636 10.895 ( -3.575 0.000 0.265) 3.585 11.071 ( -3.003 0.000 -2.131) 3.682 11.159 ( -1.464 0.000 1.598) 2.167 11.352 ( 14.041 0.000 -0.149) 14.042 11.368 ( 13.994 0.000 -0.309) 13.998 11.674 ( -1.082 0.000 0.121) 1.089 11.726 ( 0.293 0.000 0.189) 0.349 12.030 ( 2.749 0.000 2.962) 4.041 12.093 ( 4.325 0.000 -3.382) 5.490 12.353 ( -4.216 0.000 1.144) 4.368 12.378 ( -4.880 0.000 -0.189) 4.883 12.382 ( 2.036 0.000 1.818) 2.730 12.425 ( 0.437 0.000 -0.273) 0.515 12.461 ( 0.545 0.000 -0.626) 0.830 12.485 ( 2.415 0.000 -1.891) 3.067 12.572 ( 4.198 0.000 1.817) 4.574 12.605 ( 5.738 0.000 -0.850) 5.801 13.012 ( -0.490 0.000 -0.859) 0.989 13.045 ( -0.150 0.000 0.534) 0.554 13.278 ( -1.522 0.000 1.496) 2.135 13.317 ( 1.276 0.000 -1.575) 2.027 13.595 ( 18.156 0.000 2.972) 18.397 13.612 ( 16.562 0.000 -1.950) 16.677 14.000 ( -7.563 0.000 -0.756) 7.601 14.010 ( -8.259 0.000 0.383) 8.268 14.213 ( 4.487 0.000 -0.066) 4.488 14.242 ( 1.448 0.000 -0.759) 1.635 14.458 ( -6.172 0.000 1.493) 6.350 14.471 ( -3.341 0.000 -0.788) 3.433 14.647 ( 7.229 0.000 -0.605) 7.254 14.711 ( 9.579 0.000 -2.796) 9.979 14.917 ( 5.831 0.000 0.598) 5.862 14.937 ( 1.308 0.000 -1.092) 1.703 15.143 ( 11.375 0.000 0.362) 11.381 15.160 ( 12.443 0.000 -1.070) 12.489 15.196 ( 10.943 0.000 -0.240) 10.946 15.329 ( 14.102 0.000 1.270) 14.160 15.751 ( -4.145 0.000 0.097) 4.146 15.798 ( -6.863 0.000 -0.549) 6.885 15.871 ( 2.798 0.000 2.534) 3.775 15.910 ( -1.691 0.000 -0.675) 1.821 16.134 ( -4.140 0.000 -6.792) 7.954 16.179 ( -2.381 0.000 5.828) 6.295 16.587 ( 3.584 0.000 -0.497) 3.618 16.634 ( 3.437 0.000 2.362) 4.170 16.659 ( 0.814 0.000 -2.192) 2.339 16.691 ( 3.338 0.000 1.868) 3.826 17.359 ( -0.759 0.000 -0.346) 0.834 17.376 ( 0.158 0.000 -0.053) 0.166 17.393 ( -0.496 0.000 1.136) 1.240 17.419 ( 1.057 0.000 -1.318) 1.689 19.803 ( 1.911 0.000 3.129) 3.666 19.834 ( 3.589 0.000 -2.606) 4.435 20.117 ( -0.520 0.000 0.777) 0.935 20.123 ( -0.715 0.000 -0.774) 1.054 20.535 ( -4.447 0.000 2.374) 5.041 20.607 ( -0.397 0.000 -0.604) 0.723 20.773 ( -2.023 0.000 0.222) 2.035 20.826 ( 0.991 0.000 -1.580) 1.865 22.056 ( 2.796 0.000 -3.265) 4.299 22.072 ( 3.135 0.000 1.951) 3.693 22.223 ( 1.282 0.000 -0.290) 1.315 22.244 ( 2.262 0.000 0.730) 2.377 23.044 ( -6.453 0.000 0.058) 6.453 23.124 ( -1.764 0.000 0.315) 1.792 23.367 ( -8.761 0.000 0.339) 8.767 23.399 ( -6.376 0.000 0.580) 6.402 26.598 ( 10.188 0.000 0.494) 10.200 26.603 ( 10.978 0.000 -0.420) 10.986 26.727 ( 20.412 0.000 -4.950) 21.004 26.732 ( 20.916 0.000 4.881) 21.478 28.990 ( -17.226 0.000 -1.780) 17.318 28.991 ( -18.251 0.000 1.879) 18.347 29.262 ( -8.710 0.000 -5.592) 10.351 29.292 ( -9.989 0.000 4.770) 11.069 29.884 ( 15.828 0.000 2.519) 16.028 29.897 ( 14.502 0.000 -1.817) 14.615 30.658 ( 1.287 0.000 -6.306) 6.436 30.659 ( 0.457 0.000 6.921) 6.936 30.878 ( 1.831 0.000 -2.087) 2.777 30.879 ( 3.364 0.000 1.576) 3.714 31.140 ( 5.091 0.000 1.056) 5.199 31.158 ( 5.367 0.000 0.374) 5.381 31.499 ( 1.665 0.000 0.179) 1.675 31.563 ( 6.716 0.000 0.420) 6.729 32.053 ( -8.928 0.000 -2.663) 9.316 32.090 ( -10.329 0.000 3.141) 10.796 32.204 ( -5.720 0.000 3.265) 6.587 32.252 ( -0.274 0.000 -13.542) 13.545 32.388 ( -4.156 0.000 -6.264) 7.518 32.391 ( -0.108 0.000 10.400) 10.401 32.760 ( 8.838 0.000 8.937) 12.569 32.793 ( 11.479 0.000 3.534) 12.010 32.893 ( 8.733 0.000 -9.367) 12.807 32.926 ( 8.996 0.000 2.829) 9.430 33.812 ( -2.317 0.000 0.107) 2.319 33.824 ( -1.595 0.000 0.137) 1.601 34.041 ( -3.417 0.000 -3.882) 5.172 34.051 ( -3.104 0.000 4.712) 5.642 34.981 ( -4.399 0.000 0.331) 4.411 35.077 ( -3.767 0.000 -2.481) 4.510 35.129 ( 4.594 0.000 -1.098) 4.724 35.207 ( 3.813 0.000 -0.107) 3.815 35.562 ( -0.618 0.000 1.439) 1.566 35.656 ( 5.247 0.000 -1.856) 5.565 35.738 ( 2.238 0.000 -0.313) 2.260 35.780 ( 4.552 0.000 -0.046) 4.552 36.338 ( 1.677 0.000 -11.359) 11.482 36.366 ( 1.929 0.000 11.003) 11.171 36.398 ( -0.426 0.000 -10.930) 10.939 36.433 ( 0.137 0.000 10.609) 10.610 37.703 ( -3.342 0.000 -24.707) 24.932 37.750 ( -3.623 0.000 24.294) 24.562 38.773 ( -15.773 0.000 8.562) 17.947 38.803 ( -13.425 0.000 -7.509) 15.382 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 16.633 0.000 -18.612) 24.961 1.492 ( 7.827 0.000 -11.054) 13.544 1.769 ( 24.410 0.000 4.778) 24.873 2.028 ( 16.470 0.000 18.051) 24.436 2.034 ( 2.221 0.000 -8.280) 8.573 2.130 ( 10.313 0.000 -12.056) 15.865 2.139 ( 9.211 0.000 9.546) 13.265 2.457 ( -7.685 0.000 -11.581) 13.899 2.604 ( -10.337 0.000 -10.853) 14.988 2.738 ( 3.797 0.000 7.746) 8.627 2.794 ( -4.658 0.000 -6.353) 7.878 2.817 ( -2.222 0.000 -12.849) 13.040 2.864 ( -4.014 0.000 0.028) 4.014 2.895 ( 7.042 0.000 -5.086) 8.686 2.982 ( -3.108 0.000 3.875) 4.968 3.016 ( 0.667 0.000 1.050) 1.244 3.047 ( 5.250 0.000 -8.285) 9.809 3.200 ( -0.181 0.000 0.188) 0.261 3.202 ( 7.071 0.000 -2.069) 7.367 3.204 ( 1.551 0.000 2.463) 2.911 3.259 ( 1.936 0.000 -5.501) 5.832 3.418 ( -1.266 0.000 1.950) 2.324 3.444 ( 2.432 0.000 7.135) 7.538 3.524 ( 1.209 0.000 -6.030) 6.150 3.607 ( 5.694 0.000 1.748) 5.956 3.671 ( 7.765 0.000 9.476) 12.252 3.720 ( -3.718 0.000 1.797) 4.129 3.788 ( 10.100 0.000 -0.507) 10.113 3.826 ( 4.520 0.000 -7.952) 9.147 3.907 ( 2.102 0.000 -6.879) 7.193 3.926 ( 6.876 0.000 1.853) 7.121 4.035 ( 6.702 0.000 8.924) 11.160 4.068 ( 2.568 0.000 0.570) 2.631 4.272 ( -1.550 0.000 10.243) 10.360 4.312 ( 4.158 0.000 -1.253) 4.343 4.338 ( -1.487 0.000 -4.254) 4.506 4.509 ( 0.831 0.000 -3.680) 3.772 4.617 ( 2.230 0.000 7.232) 7.568 4.651 ( -2.771 0.000 3.843) 4.738 4.688 ( -2.498 0.000 -0.993) 2.688 4.808 ( 4.698 0.000 -3.700) 5.980 5.006 ( 0.107 0.000 -2.767) 2.769 5.008 ( 1.306 0.000 -1.197) 1.771 5.052 ( 1.692 0.000 0.909) 1.920 5.140 ( 1.651 0.000 11.108) 11.230 5.143 ( -2.652 0.000 0.060) 2.653 5.256 ( -1.036 0.000 4.241) 4.366 5.258 ( 4.793 0.000 -3.908) 6.184 5.282 ( -4.561 0.000 0.296) 4.571 5.470 ( 2.255 0.000 1.852) 2.918 5.542 ( -0.965 0.000 6.597) 6.667 5.543 ( 1.880 0.000 -1.492) 2.400 5.628 ( 0.441 0.000 -1.390) 1.458 5.651 ( -1.645 0.000 -7.616) 7.792 5.825 ( -2.917 0.000 -4.289) 5.187 5.885 ( -0.726 0.000 -2.165) 2.283 5.921 ( -0.029 0.000 3.650) 3.650 5.996 ( -3.796 0.000 11.194) 11.820 6.168 ( 2.606 0.000 6.382) 6.894 6.292 ( -4.626 0.000 -2.477) 5.247 6.441 ( 5.285 0.000 -1.223) 5.424 6.471 ( -3.912 0.000 -3.268) 5.097 6.481 ( -8.735 0.000 1.516) 8.866 6.519 ( -1.151 0.000 2.517) 2.767 6.668 ( 1.734 0.000 0.495) 1.804 6.838 ( 1.336 0.000 2.423) 2.767 6.888 ( -3.438 0.000 -4.886) 5.975 6.917 ( 1.029 0.000 -0.788) 1.296 7.058 ( 2.403 0.000 -2.323) 3.343 7.078 ( 3.514 0.000 5.729) 6.721 7.233 ( -0.138 0.000 -2.620) 2.623 7.297 ( 4.337 0.000 -0.932) 4.436 7.356 ( -5.106 0.000 -0.984) 5.200 7.504 ( -5.825 0.000 -3.327) 6.708 7.534 ( -5.267 0.000 -4.325) 6.815 7.751 ( -1.343 0.000 1.472) 1.993 8.151 ( -20.774 0.000 -0.243) 20.775 8.270 ( -18.518 0.000 1.053) 18.548 8.521 ( -18.549 0.000 0.325) 18.552 8.679 ( -9.892 0.000 -1.327) 9.981 8.945 ( -1.703 0.000 -1.393) 2.200 8.993 ( -0.612 0.000 -1.167) 1.318 9.165 ( 0.152 0.000 6.726) 6.728 9.247 ( 6.027 0.000 1.572) 6.229 9.355 ( 3.236 0.000 0.354) 3.256 9.383 ( 2.980 0.000 -3.199) 4.372 9.433 ( 3.235 0.000 -0.072) 3.236 9.481 ( 3.689 0.000 2.735) 4.593 9.481 ( 4.734 0.000 1.630) 5.007 9.578 ( 4.490 0.000 -0.766) 4.555 9.735 ( 2.829 0.000 2.336) 3.668 9.848 ( 5.815 0.000 -2.281) 6.246 10.024 ( -1.157 0.000 -7.399) 7.489 10.079 ( -3.841 0.000 3.153) 4.969 10.148 ( -12.026 0.000 2.382) 12.259 10.263 ( -7.351 0.000 -2.208) 7.675 10.338 ( -9.074 0.000 -2.532) 9.421 10.410 ( -8.240 0.000 3.577) 8.983 10.522 ( -13.990 0.000 -0.965) 14.024 10.651 ( -9.539 0.000 1.450) 9.648 10.757 ( -4.519 0.000 2.068) 4.970 10.818 ( -5.661 0.000 -0.449) 5.679 11.005 ( -2.759 0.000 -1.539) 3.160 11.091 ( -7.999 0.000 0.743) 8.033 11.591 ( 15.000 0.000 0.268) 15.003 11.593 ( 13.972 0.000 -0.095) 13.972 11.703 ( 3.822 0.000 0.376) 3.841 11.744 ( 1.890 0.000 0.117) 1.894 12.111 ( 1.958 0.000 -2.179) 2.930 12.113 ( 3.645 0.000 2.020) 4.168 12.290 ( -5.093 0.000 -0.740) 5.147 12.316 ( -2.323 0.000 0.711) 2.430 12.434 ( 0.208 0.000 1.759) 1.771 12.454 ( 3.526 0.000 1.512) 3.837 12.480 ( 3.937 0.000 -0.553) 3.975 12.480 ( -0.097 0.000 -1.689) 1.692 12.662 ( 4.661 0.000 1.054) 4.779 12.682 ( 4.519 0.000 -1.132) 4.659 13.007 ( 0.209 0.000 -0.250) 0.326 13.033 ( -1.891 0.000 -0.509) 1.959 13.278 ( 0.375 0.000 0.845) 0.924 13.326 ( 2.259 0.000 -1.073) 2.501 13.839 ( 10.940 0.000 -1.259) 11.012 13.852 ( -9.420 0.000 -0.203) 9.422 13.871 ( -3.850 0.000 -0.573) 3.893 13.983 ( 18.451 0.000 7.472) 19.907 14.258 ( 1.671 0.000 -1.297) 2.115 14.314 ( 6.961 0.000 -0.485) 6.978 14.380 ( -5.144 0.000 1.079) 5.256 14.395 ( -4.367 0.000 -0.547) 4.401 14.747 ( 3.169 0.000 -0.662) 3.238 14.786 ( 3.231 0.000 -0.249) 3.240 14.999 ( 9.036 0.000 0.475) 9.049 15.053 ( 10.301 0.000 -2.210) 10.535 15.326 ( 10.361 0.000 0.037) 10.361 15.338 ( 11.719 0.000 0.173) 11.720 15.459 ( 15.773 0.000 1.624) 15.856 15.541 ( 9.689 0.000 0.688) 9.713 15.682 ( -6.428 0.000 -0.164) 6.430 15.685 ( -4.164 0.000 -0.151) 4.167 15.889 ( 2.538 0.000 -1.588) 2.994 15.991 ( 7.127 0.000 5.008) 8.711 15.998 ( -3.538 0.000 -4.461) 5.694 16.168 ( -5.784 0.000 3.844) 6.945 16.645 ( 2.194 0.000 -1.118) 2.462 16.663 ( 3.961 0.000 -1.198) 4.139 16.685 ( 0.218 0.000 2.617) 2.626 16.786 ( 2.999 0.000 3.369) 4.510 17.348 ( 0.037 0.000 -0.384) 0.386 17.380 ( 1.059 0.000 -0.508) 1.175 17.404 ( 0.223 0.000 1.309) 1.328 17.417 ( 0.678 0.000 -1.376) 1.534 19.859 ( 3.390 0.000 -2.849) 4.428 19.899 ( 4.771 0.000 3.929) 6.181 20.110 ( 0.726 0.000 -0.970) 1.211 20.157 ( 4.420 0.000 1.977) 4.842 20.489 ( -5.169 0.000 2.889) 5.921 20.568 ( -3.152 0.000 -1.160) 3.359 20.749 ( -2.121 0.000 1.316) 2.496 20.815 ( -0.384 0.000 -1.179) 1.240 22.091 ( 6.204 0.000 -2.512) 6.693 22.125 ( 3.713 0.000 -1.480) 3.997 22.283 ( 6.096 0.000 0.674) 6.133 22.309 ( 5.125 0.000 0.363) 5.138 22.926 ( -8.969 0.000 0.619) 8.990 23.068 ( -6.846 0.000 0.643) 6.876 23.208 ( -11.049 0.000 0.522) 11.061 23.267 ( -10.084 0.000 -0.445) 10.094 26.811 ( 16.696 0.000 -1.495) 16.762 26.837 ( 18.045 0.000 1.953) 18.151 27.013 ( 24.548 0.000 -6.798) 25.472 27.309 ( 31.454 0.000 19.671) 37.099 28.662 ( -21.124 0.000 -2.069) 21.225 28.696 ( -21.128 0.000 1.598) 21.189 29.008 ( -16.684 0.000 -4.301) 17.230 29.134 ( -15.738 0.000 3.825) 16.197 30.111 ( 14.436 0.000 -1.352) 14.499 30.174 ( 16.491 0.000 2.423) 16.668 30.628 ( 3.419 0.000 -5.166) 6.195 30.728 ( 0.446 0.000 3.879) 3.905 30.895 ( 3.849 0.000 -1.957) 4.318 30.995 ( 7.508 0.000 3.137) 8.137 31.252 ( 7.108 0.000 1.415) 7.247 31.281 ( 7.759 0.000 3.701) 8.596 31.523 ( -0.411 0.000 0.439) 0.601 31.686 ( 5.460 0.000 1.057) 5.562 31.909 ( -6.545 0.000 -0.589) 6.572 31.945 ( -8.544 0.000 1.050) 8.608 32.060 ( -10.416 0.000 0.008) 10.416 32.074 ( 0.754 0.000 -13.447) 13.468 32.325 ( -1.640 0.000 2.328) 2.847 32.600 ( 4.268 0.000 14.182) 14.810 32.980 ( 11.377 0.000 -5.470) 12.623 33.006 ( 10.453 0.000 6.712) 12.423 33.036 ( 13.856 0.000 3.448) 14.279 33.106 ( 4.459 0.000 7.339) 8.587 33.733 ( -4.338 0.000 -4.719) 6.409 33.796 ( -2.733 0.000 2.078) 3.433 33.969 ( -5.964 0.000 3.832) 7.089 34.049 ( -6.412 0.000 6.948) 9.455 34.919 ( -2.986 0.000 -0.582) 3.042 34.990 ( -2.051 0.000 -3.738) 4.264 35.169 ( 3.858 0.000 -3.518) 5.221 35.238 ( 2.823 0.000 -3.248) 4.304 35.592 ( 0.973 0.000 3.372) 3.509 35.725 ( 5.742 0.000 -1.380) 5.905 35.791 ( 4.020 0.000 0.637) 4.070 35.865 ( 5.684 0.000 0.552) 5.710 36.251 ( 3.146 0.000 -10.678) 11.132 36.276 ( 1.529 0.000 -11.543) 11.644 36.505 ( 1.305 0.000 6.017) 6.157 36.523 ( -1.922 0.000 6.986) 7.245 37.381 ( -0.388 0.000 -23.294) 23.298 37.891 ( -8.377 0.000 16.862) 18.828 38.385 ( -20.073 0.000 -16.580) 26.035 38.600 ( -19.511 0.000 9.586) 21.738 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 18.402 0.000 -11.035) 21.457 1.523 ( 13.593 0.000 -7.044) 15.310 1.969 ( -0.247 0.000 -3.796) 3.804 2.018 ( 9.470 0.000 -0.593) 9.488 2.236 ( -1.939 0.000 -5.595) 5.921 2.243 ( 2.279 0.000 8.424) 8.727 2.412 ( -0.341 0.000 -4.179) 4.193 2.497 ( 34.489 0.000 -7.970) 35.397 2.523 ( -0.743 0.000 8.711) 8.743 2.584 ( 2.325 0.000 -11.386) 11.621 2.631 ( -5.874 0.000 -7.845) 9.801 2.711 ( -4.115 0.000 -7.756) 8.780 2.868 ( -2.466 0.000 5.421) 5.956 2.934 ( -0.644 0.000 -3.771) 3.825 3.001 ( 5.108 0.000 -8.741) 10.124 3.030 ( 3.238 0.000 -1.158) 3.439 3.054 ( 3.090 0.000 2.726) 4.121 3.140 ( 4.288 0.000 -3.474) 5.518 3.195 ( 2.389 0.000 -5.762) 6.237 3.284 ( 7.830 0.000 -4.207) 8.889 3.368 ( -4.630 0.000 -1.496) 4.865 3.377 ( 6.562 0.000 2.509) 7.025 3.459 ( -0.626 0.000 7.384) 7.410 3.541 ( 4.647 0.000 0.403) 4.665 3.680 ( -8.780 0.000 1.663) 8.937 3.723 ( 8.511 0.000 -3.136) 9.070 3.810 ( -0.228 0.000 -8.778) 8.781 3.823 ( 5.050 0.000 -6.476) 8.212 3.895 ( 2.742 0.000 -2.064) 3.431 3.905 ( 6.464 0.000 8.589) 10.749 4.012 ( 5.310 0.000 -3.526) 6.374 4.177 ( -7.075 0.000 9.984) 12.237 4.185 ( 3.953 0.000 4.287) 5.831 4.254 ( 2.557 0.000 -5.970) 6.495 4.348 ( 2.935 0.000 1.151) 3.153 4.397 ( 4.483 0.000 6.643) 8.014 4.483 ( 0.632 0.000 0.108) 0.641 4.641 ( -2.813 0.000 2.187) 3.563 4.703 ( 2.550 0.000 0.003) 2.550 4.713 ( 2.108 0.000 5.452) 5.845 4.813 ( 3.321 0.000 -4.364) 5.484 4.933 ( -6.163 0.000 -3.003) 6.856 4.993 ( -0.573 0.000 -3.884) 3.926 5.022 ( -3.604 0.000 -4.103) 5.461 5.140 ( -0.184 0.000 3.222) 3.227 5.161 ( -4.094 0.000 -7.933) 8.928 5.212 ( -4.980 0.000 0.127) 4.981 5.261 ( 0.823 0.000 5.672) 5.732 5.341 ( 1.924 0.000 4.138) 4.563 5.447 ( -0.450 0.000 1.099) 1.187 5.526 ( -3.047 0.000 3.650) 4.755 5.591 ( -1.290 0.000 0.768) 1.502 5.610 ( 1.443 0.000 0.485) 1.523 5.759 ( 4.316 0.000 9.875) 10.776 5.797 ( -0.288 0.000 0.138) 0.320 5.836 ( 0.614 0.000 -1.031) 1.200 6.001 ( 5.355 0.000 2.893) 6.087 6.052 ( -4.777 0.000 9.857) 10.954 6.149 ( -6.446 0.000 -3.198) 7.195 6.284 ( 2.762 0.000 5.893) 6.508 6.365 ( -1.759 0.000 -1.852) 2.554 6.376 ( -8.037 0.000 2.657) 8.465 6.512 ( -2.617 0.000 1.575) 3.055 6.513 ( 4.010 0.000 -2.714) 4.842 6.763 ( -1.194 0.000 -3.764) 3.948 6.805 ( 8.418 0.000 -0.878) 8.464 6.865 ( 2.214 0.000 -3.470) 4.116 6.912 ( 0.933 0.000 -1.994) 2.201 7.067 ( 0.983 0.000 -4.337) 4.447 7.174 ( -2.262 0.000 -1.891) 2.949 7.212 ( 4.237 0.000 2.031) 4.699 7.265 ( -1.348 0.000 1.512) 2.026 7.396 ( -1.824 0.000 -2.753) 3.302 7.397 ( -0.561 0.000 1.255) 1.375 7.449 ( 0.830 0.000 -0.206) 0.855 7.732 ( -3.667 0.000 1.004) 3.802 7.877 ( -14.063 0.000 2.374) 14.262 8.015 ( -14.820 0.000 1.053) 14.857 8.273 ( -12.984 0.000 2.589) 13.239 8.504 ( -10.150 0.000 -0.489) 10.161 8.931 ( 0.965 0.000 -1.849) 2.086 8.978 ( 0.680 0.000 -2.164) 2.269 9.238 ( -0.203 0.000 5.375) 5.379 9.315 ( 2.727 0.000 -1.413) 3.071 9.385 ( 2.754 0.000 -1.406) 3.092 9.437 ( 5.356 0.000 2.446) 5.888 9.521 ( 5.903 0.000 1.614) 6.120 9.566 ( 4.706 0.000 0.201) 4.710 9.569 ( 2.803 0.000 2.867) 4.010 9.649 ( 5.925 0.000 -1.438) 6.097 9.759 ( -1.675 0.000 0.484) 1.744 9.867 ( -2.623 0.000 -2.026) 3.314 9.928 ( -4.346 0.000 -3.828) 5.791 9.973 ( -8.568 0.000 2.649) 8.968 9.980 ( -11.875 0.000 0.765) 11.900 10.114 ( -5.809 0.000 -2.427) 6.296 10.202 ( -3.923 0.000 -3.266) 5.105 10.316 ( -9.242 0.000 -1.997) 9.456 10.363 ( -5.595 0.000 5.444) 7.807 10.556 ( -4.891 0.000 1.698) 5.178 10.682 ( -6.778 0.000 -0.512) 6.797 10.718 ( -5.264 0.000 -1.710) 5.534 10.963 ( -0.967 0.000 -0.422) 1.055 10.992 ( -5.354 0.000 1.804) 5.650 11.766 ( 3.299 0.000 0.089) 3.300 11.776 ( 5.039 0.000 -0.194) 5.043 11.781 ( 6.647 0.000 0.407) 6.659 11.793 ( 10.830 0.000 -0.357) 10.836 12.112 ( 0.193 0.000 -0.133) 0.234 12.174 ( 1.789 0.000 0.578) 1.880 12.221 ( -2.329 0.000 -0.889) 2.492 12.283 ( -2.272 0.000 -0.490) 2.324 12.441 ( -1.787 0.000 0.695) 1.917 12.500 ( 1.614 0.000 -0.628) 1.732 12.502 ( 3.524 0.000 2.403) 4.265 12.565 ( 6.311 0.000 0.372) 6.322 12.711 ( 1.953 0.000 -2.260) 2.987 12.733 ( 3.385 0.000 0.329) 3.401 12.970 ( -4.960 0.000 -0.694) 5.009 13.000 ( -1.668 0.000 0.414) 1.718 13.324 ( 4.931 0.000 0.285) 4.940 13.370 ( 4.874 0.000 -0.803) 4.940 13.712 ( -8.143 0.000 -0.268) 8.148 13.731 ( -8.142 0.000 -0.050) 8.142 14.065 ( 12.597 0.000 -0.268) 12.600 14.229 ( 3.623 0.000 0.236) 3.631 14.312 ( 9.356 0.000 2.751) 9.752 14.324 ( -3.290 0.000 0.287) 3.303 14.336 ( -2.533 0.000 -0.257) 2.546 14.404 ( 6.739 0.000 -1.628) 6.933 14.718 ( -4.322 0.000 -1.041) 4.446 14.811 ( -1.394 0.000 0.681) 1.552 15.153 ( 6.630 0.000 -2.221) 6.992 15.172 ( 9.098 0.000 1.631) 9.243 15.447 ( 3.945 0.000 0.197) 3.950 15.469 ( 4.683 0.000 -1.093) 4.809 15.584 ( -1.298 0.000 -0.710) 1.479 15.602 ( -1.673 0.000 0.355) 1.711 15.644 ( -0.254 0.000 0.190) 0.317 15.669 ( 6.054 0.000 -0.128) 6.055 15.930 ( 5.096 0.000 -1.979) 5.467 16.009 ( 7.430 0.000 0.228) 7.433 16.090 ( -4.359 0.000 2.288) 4.923 16.175 ( 3.592 0.000 5.014) 6.167 16.648 ( 0.171 0.000 -0.270) 0.319 16.715 ( -0.950 0.000 3.416) 3.545 16.717 ( 4.089 0.000 -1.575) 4.382 16.811 ( -3.947 0.000 2.020) 4.434 17.352 ( 0.907 0.000 -0.417) 0.998 17.394 ( 1.954 0.000 -2.234) 2.968 17.415 ( 0.592 0.000 0.415) 0.723 17.423 ( -0.208 0.000 1.518) 1.532 19.896 ( 5.627 0.000 -2.197) 6.041 20.020 ( 5.404 0.000 2.515) 5.960 20.123 ( 1.557 0.000 -0.292) 1.584 20.262 ( 3.848 0.000 1.995) 4.334 20.445 ( -4.909 0.000 3.573) 6.072 20.497 ( -3.716 0.000 -0.875) 3.818 20.734 ( -2.234 0.000 1.955) 2.968 20.790 ( -1.462 0.000 -0.286) 1.490 22.192 ( 7.730 0.000 -1.809) 7.939 22.193 ( 8.944 0.000 -0.664) 8.969 22.400 ( 6.312 0.000 -0.549) 6.336 22.404 ( 7.932 0.000 0.677) 7.960 22.798 ( -7.966 0.000 0.903) 8.017 22.928 ( -9.837 0.000 -1.253) 9.917 23.056 ( -10.464 0.000 1.908) 10.636 23.095 ( -10.577 0.000 -0.731) 10.603 27.075 ( 19.122 0.000 -1.641) 19.192 27.168 ( 20.024 0.000 2.581) 20.189 27.333 ( 25.258 0.000 -5.106) 25.768 27.960 ( 17.672 0.000 19.702) 26.467 28.308 ( -20.941 0.000 -1.748) 21.014 28.390 ( -20.046 0.000 1.255) 20.085 28.671 ( -20.322 0.000 -1.738) 20.396 28.925 ( -15.549 0.000 3.680) 15.978 30.300 ( 11.188 0.000 -0.698) 11.210 30.420 ( 12.012 0.000 0.710) 12.032 30.640 ( 2.913 0.000 -1.841) 3.446 30.760 ( -0.487 0.000 1.871) 1.933 30.967 ( 7.687 0.000 -0.613) 7.711 31.140 ( 7.660 0.000 0.555) 7.680 31.376 ( 3.893 0.000 2.361) 4.553 31.476 ( 7.347 0.000 7.924) 10.806 31.479 ( -3.007 0.000 -0.212) 3.015 31.615 ( -12.260 0.000 -0.544) 12.272 31.842 ( -3.966 0.000 2.157) 4.515 31.905 ( -8.599 0.000 0.236) 8.603 31.986 ( 3.480 0.000 6.542) 7.410 32.006 ( 4.262 0.000 -5.937) 7.308 32.400 ( 6.113 0.000 5.485) 8.213 32.799 ( 1.399 0.000 12.136) 12.216 33.085 ( 9.292 0.000 -5.231) 10.663 33.156 ( -6.153 0.000 4.824) 7.819 33.236 ( 12.485 0.000 0.280) 12.488 33.290 ( 13.314 0.000 3.107) 13.672 33.605 ( -4.037 0.000 -4.278) 5.882 33.793 ( -4.542 0.000 6.418) 7.863 33.919 ( -7.875 0.000 5.483) 9.596 33.995 ( -9.547 0.000 5.133) 10.839 34.894 ( -0.091 0.000 1.171) 1.175 34.951 ( 0.926 0.000 -1.170) 1.492 35.169 ( 2.580 0.000 -5.142) 5.753 35.227 ( 2.078 0.000 -5.429) 5.813 35.665 ( 2.061 0.000 5.116) 5.515 35.795 ( 4.299 0.000 -0.498) 4.328 35.867 ( 4.108 0.000 1.282) 4.303 35.956 ( 4.545 0.000 0.927) 4.639 36.182 ( 2.019 0.000 -8.405) 8.644 36.205 ( 6.206 0.000 -11.792) 13.325 36.433 ( -6.847 0.000 -7.498) 10.154 36.528 ( -4.817 0.000 -2.812) 5.578 37.262 ( 10.446 0.000 -9.711) 14.262 37.871 ( -13.218 0.000 9.364) 16.199 37.973 ( -3.881 0.000 -15.422) 15.902 38.386 ( -20.501 0.000 7.400) 21.796 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 15.456 0.000 -5.558) 16.425 1.734 ( 15.162 0.000 0.928) 15.190 1.851 ( -10.467 0.000 -2.580) 10.780 2.111 ( -18.776 0.000 -4.387) 19.281 2.151 ( 12.697 0.000 -0.169) 12.698 2.389 ( 17.356 0.000 1.630) 17.432 2.397 ( -8.158 0.000 -5.336) 9.748 2.440 ( -1.374 0.000 -2.980) 3.282 2.509 ( 9.058 0.000 3.094) 9.572 2.579 ( -3.822 0.000 -2.261) 4.440 2.603 ( 1.718 0.000 -3.543) 3.938 2.792 ( -3.842 0.000 -9.812) 10.538 2.862 ( 15.134 0.000 -7.353) 16.826 2.896 ( -3.112 0.000 -0.586) 3.166 2.924 ( -4.010 0.000 -4.076) 5.718 3.063 ( 7.489 0.000 3.809) 8.402 3.098 ( -9.507 0.000 0.391) 9.515 3.159 ( 4.220 0.000 5.298) 6.773 3.251 ( -5.440 0.000 -1.666) 5.689 3.309 ( 5.551 0.000 0.586) 5.582 3.430 ( 12.357 0.000 2.072) 12.529 3.492 ( 1.304 0.000 -1.897) 2.302 3.510 ( -2.822 0.000 2.941) 4.076 3.560 ( -2.758 0.000 -1.711) 3.246 3.630 ( -3.187 0.000 -12.105) 12.518 3.653 ( 5.261 0.000 0.290) 5.269 3.742 ( -1.124 0.000 -6.340) 6.439 3.837 ( 6.943 0.000 -2.060) 7.243 3.891 ( 0.272 0.000 -0.696) 0.747 3.971 ( -3.312 0.000 -4.041) 5.225 4.075 ( 5.936 0.000 2.659) 6.504 4.077 ( -14.518 0.000 6.014) 15.714 4.224 ( 4.085 0.000 1.376) 4.310 4.344 ( 6.576 0.000 -0.222) 6.580 4.371 ( -1.831 0.000 -1.325) 2.260 4.453 ( -0.380 0.000 -0.884) 0.963 4.578 ( 2.012 0.000 6.830) 7.120 4.697 ( 2.395 0.000 0.634) 2.478 4.717 ( 1.431 0.000 2.695) 3.051 4.737 ( -3.154 0.000 -1.800) 3.632 4.807 ( 2.014 0.000 -4.601) 5.022 4.858 ( -0.408 0.000 2.361) 2.396 4.909 ( -1.650 0.000 -1.151) 2.012 4.952 ( 2.094 0.000 -2.957) 3.623 5.043 ( -3.730 0.000 -4.946) 6.195 5.102 ( -7.016 0.000 -2.484) 7.443 5.178 ( -0.102 0.000 5.143) 5.144 5.297 ( -2.596 0.000 2.988) 3.958 5.389 ( 2.031 0.000 0.716) 2.154 5.436 ( 0.268 0.000 -2.243) 2.259 5.597 ( 0.980 0.000 6.277) 6.353 5.599 ( -1.473 0.000 4.657) 4.884 5.651 ( 1.668 0.000 1.526) 2.261 5.756 ( 0.885 0.000 -4.978) 5.056 5.804 ( -0.499 0.000 3.841) 3.873 5.942 ( -2.957 0.000 3.685) 4.725 6.049 ( 2.647 0.000 1.820) 3.213 6.062 ( -7.071 0.000 8.238) 10.857 6.188 ( 11.927 0.000 -0.744) 11.950 6.277 ( -9.037 0.000 2.634) 9.413 6.375 ( 1.848 0.000 3.325) 3.804 6.375 ( 0.274 0.000 5.367) 5.374 6.488 ( -0.624 0.000 -0.296) 0.691 6.502 ( 0.190 0.000 -3.939) 3.943 6.724 ( 2.163 0.000 -1.921) 2.893 6.834 ( -0.548 0.000 -4.865) 4.896 6.861 ( -0.887 0.000 -6.133) 6.197 6.880 ( 1.489 0.000 -7.069) 7.225 7.057 ( 5.044 0.000 0.544) 5.073 7.155 ( 2.527 0.000 -0.766) 2.640 7.221 ( -4.690 0.000 0.642) 4.734 7.252 ( -7.671 0.000 3.246) 8.330 7.361 ( -0.401 0.000 1.701) 1.748 7.398 ( 3.805 0.000 -1.939) 4.270 7.518 ( 3.895 0.000 2.332) 4.539 7.649 ( -6.867 0.000 -0.407) 6.879 7.806 ( -0.887 0.000 3.003) 3.132 7.864 ( -5.442 0.000 1.345) 5.606 8.222 ( -0.245 0.000 5.047) 5.053 8.374 ( -5.285 0.000 -0.959) 5.372 8.921 ( 0.575 0.000 -1.598) 1.699 8.957 ( 0.320 0.000 -2.948) 2.965 9.271 ( -1.496 0.000 2.986) 3.340 9.320 ( 1.002 0.000 -1.970) 2.210 9.455 ( 4.895 0.000 2.408) 5.455 9.551 ( 4.606 0.000 1.480) 4.838 9.612 ( 1.037 0.000 2.291) 2.515 9.616 ( -0.161 0.000 1.532) 1.541 9.637 ( 4.873 0.000 -0.758) 4.932 9.693 ( -0.837 0.000 -2.044) 2.208 9.727 ( 1.262 0.000 -0.880) 1.538 9.754 ( -6.118 0.000 -0.564) 6.144 9.797 ( -4.891 0.000 0.187) 4.894 9.803 ( -8.239 0.000 0.225) 8.242 9.996 ( 2.820 0.000 1.086) 3.022 10.043 ( -1.327 0.000 -0.710) 1.504 10.138 ( 1.030 0.000 -3.761) 3.899 10.163 ( -8.396 0.000 -0.866) 8.440 10.380 ( 0.860 0.000 3.914) 4.007 10.522 ( -1.678 0.000 -1.271) 2.105 10.564 ( -5.588 0.000 0.550) 5.615 10.632 ( -2.143 0.000 -2.624) 3.387 10.960 ( -2.069 0.000 1.825) 2.758 10.962 ( 0.834 0.000 0.030) 0.835 11.798 ( 0.577 0.000 -0.036) 0.578 11.799 ( 1.021 0.000 -0.153) 1.033 11.895 ( 3.967 0.000 0.838) 4.055 11.912 ( 4.793 0.000 -0.606) 4.832 12.121 ( 0.528 0.000 0.952) 1.088 12.174 ( -1.123 0.000 -0.933) 1.460 12.199 ( -0.194 0.000 0.302) 0.359 12.238 ( -2.173 0.000 -0.751) 2.299 12.430 ( -1.237 0.000 1.623) 2.041 12.495 ( 0.382 0.000 -2.420) 2.450 12.588 ( 2.190 0.000 2.783) 3.541 12.655 ( 4.036 0.000 -1.028) 4.165 12.714 ( 1.865 0.000 -0.488) 1.928 12.772 ( 1.322 0.000 -0.862) 1.579 12.898 ( -2.413 0.000 0.774) 2.534 12.958 ( -3.394 0.000 -0.383) 3.416 13.427 ( 7.345 0.000 -0.083) 7.346 13.451 ( 5.252 0.000 -0.212) 5.256 13.593 ( -5.899 0.000 -0.658) 5.936 13.605 ( -7.851 0.000 0.020) 7.851 14.207 ( 4.803 0.000 0.825) 4.873 14.249 ( 1.389 0.000 -0.399) 1.445 14.285 ( -1.554 0.000 -0.159) 1.562 14.299 ( -2.035 0.000 -0.690) 2.149 14.505 ( 8.887 0.000 -1.978) 9.105 14.510 ( 10.501 0.000 2.523) 10.799 14.611 ( -8.007 0.000 -0.196) 8.010 14.731 ( -8.286 0.000 -1.046) 8.352 15.253 ( 8.641 0.000 -0.260) 8.645 15.300 ( 5.825 0.000 0.945) 5.901 15.412 ( -6.706 0.000 -0.535) 6.728 15.431 ( -5.653 0.000 -1.013) 5.743 15.598 ( 3.846 0.000 -1.365) 4.081 15.615 ( -1.065 0.000 0.143) 1.074 15.644 ( 2.730 0.000 0.515) 2.778 15.703 ( -1.143 0.000 -0.526) 1.258 16.012 ( 4.677 0.000 0.190) 4.681 16.061 ( -1.182 0.000 0.131) 1.189 16.138 ( 7.507 0.000 1.049) 7.580 16.227 ( -2.734 0.000 2.130) 3.465 16.656 ( 1.101 0.000 0.707) 1.308 16.726 ( -2.323 0.000 2.869) 3.691 16.738 ( -5.363 0.000 -0.169) 5.366 16.757 ( 3.594 0.000 -1.891) 4.061 17.359 ( 0.288 0.000 -0.250) 0.382 17.383 ( 0.022 0.000 -1.711) 1.711 17.433 ( -0.408 0.000 1.276) 1.340 17.441 ( 1.631 0.000 -0.002) 1.631 19.979 ( 6.808 0.000 -0.987) 6.880 20.068 ( -1.994 0.000 -1.194) 2.324 20.169 ( 4.458 0.000 1.759) 4.792 20.272 ( -3.293 0.000 -0.243) 3.302 20.425 ( -3.450 0.000 3.733) 5.084 20.457 ( -0.653 0.000 0.080) 0.658 20.728 ( -1.320 0.000 2.169) 2.539 20.774 ( 0.144 0.000 -0.596) 0.613 22.296 ( 6.057 0.000 -0.919) 6.127 22.308 ( 3.636 0.000 0.211) 3.642 22.499 ( 7.623 0.000 0.391) 7.633 22.535 ( 6.994 0.000 1.035) 7.070 22.710 ( -4.695 0.000 0.082) 4.696 22.755 ( -9.025 0.000 -2.464) 9.356 22.937 ( -6.531 0.000 1.948) 6.815 22.953 ( -5.284 0.000 -0.312) 5.293 27.347 ( 16.236 0.000 -0.712) 16.252 27.443 ( 7.966 0.000 1.048) 8.035 27.677 ( 23.659 0.000 -1.532) 23.709 28.034 ( -7.914 0.000 -0.730) 7.948 28.062 ( -17.973 0.000 -1.543) 18.039 28.125 ( -16.279 0.000 1.371) 16.336 28.560 ( 4.616 0.000 8.705) 9.853 28.757 ( -10.840 0.000 3.342) 11.343 30.434 ( 5.979 0.000 0.416) 5.994 30.522 ( 1.419 0.000 -2.011) 2.461 30.687 ( 3.999 0.000 1.049) 4.135 30.752 ( -2.578 0.000 0.777) 2.692 31.122 ( 11.182 0.000 1.664) 11.305 31.247 ( 7.041 0.000 -1.421) 7.183 31.322 ( -7.948 0.000 0.864) 7.995 31.387 ( -12.796 0.000 -2.305) 13.002 31.555 ( 6.714 0.000 2.268) 7.087 31.649 ( 3.245 0.000 3.081) 4.475 31.788 ( -5.825 0.000 2.203) 6.228 31.811 ( -3.675 0.000 2.483) 4.435 32.053 ( 5.998 0.000 -0.500) 6.019 32.077 ( -3.346 0.000 6.626) 7.423 32.632 ( 13.500 0.000 7.197) 15.298 32.871 ( -10.628 0.000 9.282) 14.111 33.073 ( -1.066 0.000 -3.277) 3.446 33.122 ( 1.640 0.000 -4.557) 4.843 33.393 ( 5.981 0.000 0.166) 5.984 33.437 ( 2.995 0.000 -2.074) 3.643 33.619 ( 9.141 0.000 2.883) 9.585 33.778 ( -5.598 0.000 3.983) 6.870 33.853 ( -6.427 0.000 3.991) 7.566 33.883 ( -8.440 0.000 2.352) 8.762 34.941 ( 0.993 0.000 4.921) 5.020 34.986 ( 1.866 0.000 2.646) 3.237 35.138 ( 1.311 0.000 -5.667) 5.817 35.179 ( 0.436 0.000 -6.639) 6.653 35.767 ( 2.832 0.000 5.899) 6.544 35.840 ( 1.316 0.000 0.511) 1.412 35.944 ( 3.665 0.000 1.675) 4.029 36.017 ( 2.019 0.000 0.391) 2.057 36.137 ( 3.128 0.000 -6.734) 7.425 36.178 ( 5.833 0.000 -10.140) 11.698 36.213 ( -6.903 0.000 -9.038) 11.373 36.326 ( -7.715 0.000 -11.037) 13.466 37.438 ( 17.167 0.000 -0.424) 17.172 37.701 ( -17.272 0.000 3.239) 17.574 37.957 ( 13.747 0.000 -4.772) 14.551 38.134 ( -20.192 0.000 4.359) 20.657 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -16.383 0.000 0.505) 16.391 1.744 ( -21.423 0.000 -2.776) 21.602 1.859 ( 13.221 0.000 -1.749) 13.336 2.014 ( 16.324 0.000 2.968) 16.591 2.160 ( -15.074 0.000 -0.692) 15.090 2.340 ( -0.916 0.000 2.955) 3.094 2.395 ( -15.232 0.000 -2.327) 15.409 2.430 ( 9.431 0.000 4.534) 10.464 2.527 ( -3.684 0.000 -10.433) 11.064 2.571 ( 4.596 0.000 -1.876) 4.964 2.636 ( -14.832 0.000 -6.939) 16.375 2.756 ( -1.675 0.000 1.032) 1.967 2.779 ( 3.513 0.000 -3.463) 4.933 2.838 ( 11.063 0.000 3.448) 11.588 2.947 ( -3.962 0.000 -5.270) 6.593 3.061 ( 13.621 0.000 6.658) 15.161 3.159 ( -10.942 0.000 -4.554) 11.852 3.216 ( 0.557 0.000 -0.822) 0.993 3.235 ( -2.098 0.000 8.175) 8.440 3.348 ( -2.065 0.000 -2.220) 3.032 3.403 ( -9.455 0.000 5.341) 10.859 3.448 ( -2.945 0.000 0.303) 2.961 3.463 ( -4.367 0.000 3.162) 5.391 3.492 ( -2.466 0.000 -0.846) 2.607 3.567 ( 4.573 0.000 -2.088) 5.027 3.598 ( 1.492 0.000 -6.040) 6.222 3.803 ( -6.053 0.000 -5.176) 7.964 3.822 ( -1.747 0.000 0.523) 1.823 3.877 ( -1.278 0.000 -0.866) 1.544 3.931 ( 3.366 0.000 0.900) 3.484 4.015 ( -1.854 0.000 6.420) 6.683 4.191 ( 11.299 0.000 -1.754) 11.435 4.257 ( -8.292 0.000 -2.321) 8.611 4.326 ( 5.713 0.000 0.599) 5.745 4.393 ( -3.863 0.000 -3.631) 5.302 4.424 ( 1.969 0.000 1.764) 2.643 4.624 ( -2.513 0.000 4.975) 5.573 4.685 ( -1.133 0.000 -2.278) 2.544 4.713 ( -0.499 0.000 0.757) 0.907 4.747 ( -4.385 0.000 0.764) 4.451 4.785 ( -0.127 0.000 -0.958) 0.966 4.873 ( 5.488 0.000 -1.344) 5.650 4.917 ( -4.806 0.000 -0.314) 4.816 4.953 ( -2.599 0.000 -2.571) 3.656 4.987 ( -1.015 0.000 -0.759) 1.267 5.028 ( 7.483 0.000 4.350) 8.655 5.281 ( 0.993 0.000 -2.732) 2.907 5.282 ( 6.159 0.000 4.879) 7.857 5.417 ( 0.747 0.000 -2.855) 2.951 5.417 ( 1.225 0.000 -0.992) 1.576 5.634 ( -1.546 0.000 3.947) 4.239 5.644 ( -1.330 0.000 2.760) 3.064 5.678 ( 1.003 0.000 0.237) 1.031 5.724 ( 2.624 0.000 -5.450) 6.049 5.865 ( -4.411 0.000 -2.247) 4.950 5.895 ( 4.395 0.000 5.461) 7.010 6.016 ( -10.349 0.000 7.434) 12.743 6.147 ( 5.266 0.000 0.664) 5.307 6.170 ( -5.229 0.000 -0.162) 5.232 6.325 ( 5.636 0.000 -1.854) 5.933 6.412 ( -1.484 0.000 3.517) 3.817 6.442 ( 0.028 0.000 2.241) 2.241 6.478 ( 0.370 0.000 -3.068) 3.090 6.516 ( 8.679 0.000 -3.802) 9.475 6.748 ( 2.106 0.000 0.643) 2.202 6.752 ( -2.064 0.000 -4.698) 5.132 6.792 ( -2.675 0.000 0.220) 2.684 6.801 ( -2.935 0.000 -0.593) 2.994 7.072 ( -7.969 0.000 -0.761) 8.005 7.104 ( -4.205 0.000 3.283) 5.335 7.230 ( 4.335 0.000 -0.042) 4.335 7.286 ( 9.548 0.000 -0.096) 9.548 7.379 ( -0.788 0.000 0.598) 0.989 7.409 ( 0.390 0.000 -2.953) 2.978 7.530 ( -8.009 0.000 0.743) 8.043 7.616 ( 5.128 0.000 2.848) 5.866 7.866 ( 5.885 0.000 1.135) 5.993 7.867 ( 4.777 0.000 -2.118) 5.226 8.315 ( 0.988 0.000 -3.557) 3.692 8.323 ( 5.622 0.000 4.011) 6.906 8.923 ( 0.775 0.000 0.128) 0.785 8.927 ( -0.173 0.000 -2.138) 2.145 9.270 ( -2.590 0.000 2.962) 3.935 9.313 ( 0.499 0.000 -1.454) 1.537 9.524 ( -5.123 0.000 -2.276) 5.606 9.532 ( -2.928 0.000 2.315) 3.733 9.591 ( -1.310 0.000 3.041) 3.311 9.615 ( -5.213 0.000 -0.033) 5.213 9.622 ( -3.878 0.000 1.583) 4.188 9.673 ( -2.067 0.000 0.772) 2.207 9.741 ( 4.265 0.000 -2.044) 4.729 9.744 ( 4.899 0.000 -0.329) 4.910 9.818 ( 8.467 0.000 -0.467) 8.480 9.830 ( 8.076 0.000 -2.088) 8.342 10.031 ( 0.890 0.000 0.311) 0.943 10.032 ( -2.986 0.000 -2.117) 3.660 10.059 ( -1.225 0.000 3.145) 3.375 10.174 ( 7.267 0.000 -1.585) 7.437 10.449 ( -0.928 0.000 -3.280) 3.409 10.470 ( 4.956 0.000 2.853) 5.718 10.579 ( 2.449 0.000 2.636) 3.598 10.607 ( 3.153 0.000 -2.509) 4.029 10.956 ( -0.492 0.000 0.706) 0.860 10.984 ( 2.196 0.000 -0.435) 2.238 11.794 ( -1.197 0.000 0.225) 1.218 11.798 ( -0.984 0.000 0.008) 0.984 11.902 ( -4.210 0.000 0.450) 4.234 11.912 ( -3.987 0.000 -0.757) 4.058 12.142 ( -0.921 0.000 -1.124) 1.453 12.152 ( 1.612 0.000 1.208) 2.014 12.206 ( -1.351 0.000 -0.315) 1.387 12.221 ( 2.006 0.000 0.867) 2.185 12.440 ( -0.427 0.000 2.558) 2.593 12.470 ( -0.184 0.000 -2.043) 2.051 12.619 ( -1.265 0.000 2.283) 2.610 12.643 ( -2.106 0.000 -2.304) 3.122 12.725 ( -4.568 0.000 -1.338) 4.760 12.753 ( 0.627 0.000 0.874) 1.075 12.920 ( 1.078 0.000 -1.275) 1.670 12.946 ( 5.032 0.000 0.866) 5.106 13.431 ( -6.314 0.000 -0.428) 6.329 13.447 ( -6.489 0.000 0.167) 6.491 13.584 ( 6.896 0.000 0.118) 6.897 13.606 ( 7.094 0.000 -0.143) 7.096 14.231 ( -5.357 0.000 -1.444) 5.549 14.232 ( -1.931 0.000 1.257) 2.304 14.280 ( 1.980 0.000 0.276) 1.999 14.289 ( 1.587 0.000 0.131) 1.592 14.470 ( -9.332 0.000 1.315) 9.425 14.562 ( -10.024 0.000 -2.185) 10.259 14.619 ( 7.570 0.000 -1.205) 7.665 14.700 ( 9.546 0.000 1.803) 9.715 15.258 ( -9.147 0.000 -0.678) 9.172 15.325 ( -5.822 0.000 -1.165) 5.937 15.396 ( 7.785 0.000 0.789) 7.825 15.408 ( 4.283 0.000 1.002) 4.398 15.578 ( -3.186 0.000 0.454) 3.219 15.632 ( 2.141 0.000 -1.469) 2.596 15.652 ( -3.479 0.000 -0.278) 3.491 15.691 ( 0.921 0.000 0.614) 1.107 16.020 ( -4.735 0.000 -0.433) 4.754 16.057 ( 1.591 0.000 0.438) 1.650 16.153 ( -7.254 0.000 -0.321) 7.261 16.248 ( 4.858 0.000 0.344) 4.870 16.672 ( -2.009 0.000 -0.610) 2.099 16.713 ( -2.928 0.000 2.011) 3.552 16.718 ( 5.437 0.000 1.538) 5.650 16.783 ( 2.663 0.000 -2.168) 3.434 17.356 ( -0.870 0.000 0.723) 1.131 17.363 ( -0.737 0.000 -0.660) 0.989 17.436 ( -0.655 0.000 0.534) 0.845 17.456 ( 0.911 0.000 -0.916) 1.292 19.978 ( -6.731 0.000 -0.789) 6.777 20.059 ( 3.294 0.000 -0.326) 3.310 20.200 ( -3.790 0.000 -1.260) 3.994 20.260 ( 4.180 0.000 0.879) 4.271 20.413 ( -2.998 0.000 3.932) 4.944 20.465 ( 0.885 0.000 0.379) 0.962 20.748 ( 1.070 0.000 1.611) 1.933 20.778 ( 2.200 0.000 -2.070) 3.021 22.285 ( -5.631 0.000 0.072) 5.631 22.315 ( -3.397 0.000 -0.462) 3.428 22.516 ( -8.942 0.000 -0.907) 8.988 22.552 ( -6.988 0.000 -0.377) 6.998 22.711 ( 8.834 0.000 1.519) 8.963 22.718 ( 6.761 0.000 -0.910) 6.822 22.935 ( 4.254 0.000 1.371) 4.470 22.965 ( 6.556 0.000 -0.623) 6.586 27.342 ( -16.822 0.000 -0.177) 16.823 27.453 ( -6.266 0.000 0.129) 6.267 27.672 ( -26.399 0.000 -1.097) 26.422 28.014 ( 18.096 0.000 2.899) 18.326 28.032 ( 7.703 0.000 -0.373) 7.712 28.146 ( 18.406 0.000 -0.870) 18.427 28.667 ( -2.810 0.000 -0.508) 2.856 28.764 ( 11.037 0.000 2.860) 11.401 30.453 ( -6.804 0.000 -1.331) 6.933 30.483 ( -1.550 0.000 1.547) 2.190 30.700 ( -4.385 0.000 -0.063) 4.386 30.754 ( 2.679 0.000 0.495) 2.724 31.160 ( -12.205 0.000 -1.728) 12.326 31.215 ( -7.318 0.000 1.621) 7.496 31.338 ( 12.931 0.000 2.550) 13.180 31.349 ( 7.669 0.000 -2.037) 7.935 31.588 ( -7.938 0.000 -0.855) 7.984 31.659 ( 1.856 0.000 1.774) 2.568 31.802 ( 1.868 0.000 0.708) 1.997 31.834 ( 4.900 0.000 0.632) 4.940 32.037 ( -7.189 0.000 2.543) 7.626 32.164 ( 6.803 0.000 0.991) 6.875 32.695 ( -15.959 0.000 1.238) 16.007 32.930 ( 14.514 0.000 4.072) 15.074 33.042 ( -5.625 0.000 -1.954) 5.955 33.062 ( -2.277 0.000 1.214) 2.580 33.414 ( -1.611 0.000 -0.411) 1.663 33.424 ( -2.007 0.000 -2.522) 3.223 33.658 ( -10.352 0.000 -0.459) 10.362 33.794 ( 6.631 0.000 3.880) 7.683 33.892 ( 9.296 0.000 1.349) 9.393 33.894 ( 6.281 0.000 0.617) 6.312 35.012 ( -0.514 0.000 6.063) 6.084 35.048 ( 0.350 0.000 4.796) 4.809 35.078 ( -0.144 0.000 -6.990) 6.991 35.092 ( -1.377 0.000 -6.830) 6.967 35.837 ( -1.900 0.000 -0.826) 2.072 35.867 ( 2.955 0.000 1.732) 3.426 35.993 ( -3.227 0.000 -4.338) 5.407 36.020 ( 3.202 0.000 1.865) 3.705 36.075 ( -3.739 0.000 0.003) 3.739 36.116 ( 0.897 0.000 -3.081) 3.209 36.124 ( -4.457 0.000 -5.257) 6.892 36.170 ( 4.581 0.000 -2.277) 5.116 37.431 ( -19.106 0.000 0.349) 19.110 37.727 ( 18.439 0.000 0.795) 18.456 37.872 ( -18.327 0.000 3.261) 18.615 38.198 ( 19.863 0.000 -1.733) 19.938 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -21.186 0.000 3.707) 21.508 1.385 ( -24.955 0.000 4.336) 25.329 1.927 ( -7.876 0.000 1.497) 8.017 2.017 ( -8.463 0.000 -1.281) 8.559 2.150 ( -1.614 0.000 1.313) 2.081 2.290 ( 8.221 0.000 8.710) 11.977 2.311 ( -21.290 0.000 4.024) 21.667 2.335 ( -5.840 0.000 4.681) 7.484 2.404 ( -10.720 0.000 -3.425) 11.254 2.475 ( -2.253 0.000 3.612) 4.257 2.616 ( -3.516 0.000 -3.965) 5.299 2.698 ( 9.778 0.000 1.251) 9.857 2.880 ( -5.526 0.000 1.346) 5.687 2.889 ( 9.039 0.000 0.026) 9.039 2.936 ( 1.923 0.000 -1.305) 2.324 3.016 ( 1.592 0.000 1.758) 2.372 3.045 ( -8.301 0.000 -8.289) 11.731 3.192 ( -10.242 0.000 -0.873) 10.280 3.213 ( -6.817 0.000 -0.833) 6.867 3.302 ( -10.958 0.000 -9.914) 14.777 3.317 ( 6.158 0.000 4.411) 7.575 3.434 ( 0.454 0.000 -2.173) 2.219 3.475 ( -3.917 0.000 16.641) 17.096 3.562 ( 0.249 0.000 0.398) 0.470 3.579 ( -0.239 0.000 5.192) 5.198 3.601 ( -0.464 0.000 2.191) 2.239 3.715 ( 4.023 0.000 1.989) 4.488 3.757 ( -3.219 0.000 -2.570) 4.119 3.872 ( -0.766 0.000 -0.734) 1.061 3.991 ( 0.926 0.000 -2.328) 2.506 4.010 ( -3.623 0.000 0.504) 3.657 4.124 ( -7.013 0.000 4.679) 8.430 4.274 ( -5.243 0.000 -4.967) 7.222 4.314 ( -1.365 0.000 2.266) 2.646 4.362 ( 2.236 0.000 -5.645) 6.072 4.476 ( 3.496 0.000 -1.035) 3.646 4.587 ( -0.906 0.000 -4.791) 4.876 4.594 ( -6.850 0.000 5.463) 8.762 4.633 ( -5.796 0.000 2.919) 6.490 4.804 ( 5.047 0.000 0.762) 5.104 4.807 ( 0.241 0.000 -1.559) 1.577 4.867 ( -0.600 0.000 -1.293) 1.426 4.927 ( 2.874 0.000 0.705) 2.960 4.934 ( 2.779 0.000 2.525) 3.755 5.010 ( -0.170 0.000 5.734) 5.737 5.196 ( 6.664 0.000 0.440) 6.679 5.261 ( 2.853 0.000 -3.161) 4.258 5.376 ( -0.718 0.000 -5.491) 5.537 5.408 ( 2.746 0.000 -2.914) 4.004 5.417 ( 0.635 0.000 3.380) 3.440 5.598 ( -3.797 0.000 -2.704) 4.661 5.636 ( -0.485 0.000 -0.512) 0.706 5.700 ( 2.184 0.000 -6.586) 6.938 5.715 ( 2.163 0.000 3.780) 4.355 5.790 ( -4.329 0.000 0.720) 4.388 5.946 ( -5.643 0.000 1.425) 5.820 6.029 ( 5.673 0.000 2.767) 6.312 6.108 ( -0.128 0.000 -2.916) 2.918 6.200 ( 3.622 0.000 -4.191) 5.539 6.356 ( -0.002 0.000 -0.800) 0.800 6.382 ( -1.888 0.000 -2.309) 2.983 6.432 ( 1.529 0.000 -0.973) 1.812 6.458 ( -2.020 0.000 1.339) 2.423 6.593 ( 6.272 0.000 -6.432) 8.984 6.685 ( -2.213 0.000 1.116) 2.478 6.771 ( -4.639 0.000 3.181) 5.625 6.776 ( -0.962 0.000 3.566) 3.694 6.846 ( 4.275 0.000 3.936) 5.811 6.994 ( -2.131 0.000 1.821) 2.803 7.099 ( -1.982 0.000 4.755) 5.151 7.243 ( -1.917 0.000 -0.753) 2.060 7.322 ( -3.303 0.000 -3.356) 4.709 7.377 ( 1.671 0.000 -1.005) 1.950 7.429 ( -2.243 0.000 -1.133) 2.512 7.436 ( 2.380 0.000 0.505) 2.433 7.724 ( 3.865 0.000 1.702) 4.223 7.955 ( 12.846 0.000 -4.437) 13.590 8.030 ( 14.415 0.000 0.109) 14.416 8.350 ( 10.685 0.000 -4.441) 11.572 8.480 ( 9.843 0.000 2.231) 10.092 8.912 ( 0.125 0.000 -0.300) 0.325 8.946 ( 1.330 0.000 0.872) 1.591 9.265 ( -2.886 0.000 3.507) 4.542 9.298 ( -0.777 0.000 -0.620) 0.994 9.412 ( -3.841 0.000 -3.743) 5.364 9.463 ( -5.204 0.000 -0.024) 5.204 9.529 ( -7.057 0.000 1.060) 7.136 9.572 ( -3.208 0.000 -0.147) 3.211 9.605 ( -1.847 0.000 0.341) 1.878 9.617 ( -5.987 0.000 1.179) 6.102 9.787 ( 4.333 0.000 -2.636) 5.071 9.821 ( 2.660 0.000 2.294) 3.513 9.878 ( -2.785 0.000 -0.059) 2.786 10.004 ( 13.828 0.000 0.045) 13.828 10.042 ( 10.560 0.000 -2.460) 10.843 10.067 ( 3.352 0.000 0.660) 3.416 10.135 ( 5.991 0.000 2.293) 6.415 10.294 ( 8.890 0.000 0.248) 8.893 10.450 ( 5.592 0.000 -2.982) 6.337 10.569 ( 5.308 0.000 0.619) 5.344 10.678 ( 6.391 0.000 2.252) 6.776 10.682 ( 7.965 0.000 -0.805) 8.006 10.961 ( 0.948 0.000 -0.197) 0.969 11.023 ( 4.253 0.000 -0.984) 4.365 11.764 ( -3.173 0.000 0.272) 3.185 11.770 ( -3.429 0.000 0.369) 3.449 11.788 ( -10.079 0.000 0.038) 10.079 11.790 ( -9.370 0.000 -0.458) 9.381 12.118 ( -1.659 0.000 -0.621) 1.772 12.179 ( 0.215 0.000 0.176) 0.278 12.197 ( 0.596 0.000 1.310) 1.439 12.267 ( 2.371 0.000 0.786) 2.498 12.450 ( -0.195 0.000 -0.535) 0.569 12.470 ( 0.199 0.000 2.059) 2.069 12.559 ( -4.354 0.000 -2.293) 4.921 12.590 ( -4.239 0.000 -1.716) 4.573 12.657 ( -3.010 0.000 2.480) 3.900 12.740 ( -2.161 0.000 -0.421) 2.202 12.962 ( 4.136 0.000 -0.028) 4.136 13.011 ( 2.224 0.000 -0.482) 2.275 13.336 ( -3.914 0.000 -0.894) 4.014 13.353 ( -5.427 0.000 0.858) 5.494 13.708 ( 8.406 0.000 0.031) 8.406 13.728 ( 8.148 0.000 0.212) 8.151 14.066 ( -14.142 0.000 -0.329) 14.146 14.212 ( -2.587 0.000 1.678) 3.084 14.315 ( 0.481 0.000 0.712) 0.859 14.327 ( 3.400 0.000 0.124) 3.402 14.375 ( -4.611 0.000 1.016) 4.722 14.390 ( -7.263 0.000 -3.149) 7.916 14.705 ( 4.175 0.000 0.025) 4.175 14.817 ( 2.736 0.000 0.177) 2.742 15.121 ( -7.958 0.000 0.723) 7.991 15.213 ( -6.967 0.000 -2.094) 7.275 15.437 ( -4.009 0.000 1.730) 4.366 15.442 ( -4.352 0.000 0.535) 4.385 15.572 ( 2.505 0.000 0.407) 2.538 15.610 ( 0.693 0.000 -0.471) 0.838 15.650 ( 0.029 0.000 -0.389) 0.390 15.667 ( -4.000 0.000 0.091) 4.001 15.914 ( -6.756 0.000 -0.113) 6.757 16.023 ( -7.680 0.000 -0.895) 7.732 16.115 ( 6.181 0.000 -0.042) 6.182 16.273 ( -0.206 0.000 -3.258) 3.264 16.651 ( -0.813 0.000 -0.338) 0.880 16.684 ( -3.195 0.000 1.447) 3.507 16.776 ( -0.065 0.000 -1.631) 1.633 16.849 ( 8.836 0.000 -1.287) 8.929 17.349 ( -0.517 0.000 -0.136) 0.534 17.351 ( -1.474 0.000 1.577) 2.159 17.424 ( -1.069 0.000 -0.153) 1.080 17.453 ( 0.384 0.000 -1.257) 1.315 19.870 ( -6.220 0.000 0.387) 6.232 20.055 ( -2.224 0.000 -1.006) 2.441 20.136 ( -3.035 0.000 -1.227) 3.273 20.288 ( -1.720 0.000 -0.191) 1.730 20.444 ( 1.177 0.000 3.973) 4.144 20.492 ( 2.904 0.000 -0.615) 2.969 20.789 ( 2.273 0.000 0.266) 2.289 20.790 ( 2.779 0.000 -2.844) 3.976 22.168 ( -8.461 0.000 0.111) 8.461 22.190 ( -10.049 0.000 -0.486) 10.061 22.391 ( -6.376 0.000 0.284) 6.383 22.413 ( -8.566 0.000 -0.194) 8.568 22.830 ( 9.645 0.000 -2.078) 9.867 22.890 ( 10.017 0.000 2.219) 10.260 23.069 ( 9.271 0.000 1.775) 9.440 23.092 ( 10.039 0.000 -1.342) 10.128 27.052 ( -19.019 0.000 0.523) 19.026 27.213 ( -19.840 0.000 -1.535) 19.899 27.267 ( -25.376 0.000 1.510) 25.421 28.241 ( 4.169 0.000 -3.216) 5.266 28.285 ( 20.750 0.000 0.479) 20.755 28.420 ( 18.503 0.000 -2.262) 18.640 28.700 ( 13.281 0.000 -3.847) 13.827 28.970 ( 14.281 0.000 -0.550) 14.292 30.296 ( -11.947 0.000 -0.307) 11.951 30.410 ( -10.099 0.000 1.401) 10.196 30.623 ( -5.536 0.000 0.122) 5.537 30.779 ( 0.408 0.000 -0.126) 0.427 30.972 ( -9.296 0.000 -1.002) 9.350 31.127 ( -6.266 0.000 1.364) 6.413 31.404 ( -4.507 0.000 -0.638) 4.551 31.487 ( 1.957 0.000 -0.987) 2.192 31.547 ( 6.271 0.000 1.320) 6.408 31.662 ( 4.646 0.000 -2.476) 5.264 31.882 ( 1.240 0.000 -1.108) 1.663 31.897 ( 7.446 0.000 0.916) 7.502 31.959 ( -3.177 0.000 -0.231) 3.185 32.218 ( 3.826 0.000 -10.529) 11.202 32.478 ( -10.295 0.000 -1.242) 10.370 32.917 ( -7.492 0.000 -0.435) 7.505 32.991 ( -9.623 0.000 3.373) 10.197 33.133 ( 1.970 0.000 3.015) 3.602 33.327 ( -10.732 0.000 -0.585) 10.748 33.335 ( 0.317 0.000 -4.638) 4.649 33.560 ( 0.718 0.000 0.020) 0.718 33.968 ( 14.436 0.000 -4.881) 15.239 34.014 ( 9.201 0.000 -2.654) 9.576 34.066 ( 11.212 0.000 -1.568) 11.321 34.973 ( -2.191 0.000 -6.658) 7.009 34.991 ( -2.257 0.000 -6.137) 6.539 35.055 ( -2.127 0.000 5.451) 5.851 35.099 ( -1.662 0.000 5.890) 6.120 35.765 ( -3.071 0.000 -3.902) 4.965 35.846 ( -1.463 0.000 -6.879) 7.033 35.892 ( -4.537 0.000 -1.785) 4.875 36.005 ( -2.337 0.000 -5.145) 5.651 36.024 ( -3.894 0.000 3.461) 5.210 36.080 ( -1.793 0.000 2.178) 2.821 36.190 ( 2.653 0.000 12.477) 12.756 36.328 ( 6.806 0.000 13.646) 15.249 37.152 ( -17.199 0.000 1.821) 17.295 37.689 ( -11.821 0.000 9.902) 15.420 37.992 ( 15.988 0.000 -2.349) 16.160 38.491 ( 20.376 0.000 -2.870) 20.577 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -24.278 0.000 11.257) 26.761 1.151 ( -18.931 0.000 17.744) 25.947 1.721 ( -40.975 0.000 8.900) 41.931 1.899 ( -4.662 0.000 5.646) 7.321 1.925 ( -5.364 0.000 7.404) 9.143 2.256 ( 3.150 0.000 5.005) 5.913 2.273 ( -8.932 0.000 -1.128) 9.003 2.291 ( -11.691 0.000 -2.428) 11.941 2.435 ( 7.342 0.000 2.930) 7.905 2.594 ( 1.789 0.000 11.531) 11.669 2.674 ( 6.900 0.000 4.380) 8.173 2.709 ( 2.336 0.000 -1.546) 2.802 2.823 ( -9.774 0.000 3.986) 10.556 2.876 ( -3.912 0.000 -2.240) 4.508 2.958 ( -7.219 0.000 -5.337) 8.978 3.012 ( 9.953 0.000 1.520) 10.068 3.056 ( 2.336 0.000 -1.309) 2.678 3.110 ( 0.897 0.000 4.677) 4.762 3.111 ( 2.567 0.000 1.541) 2.994 3.169 ( -2.352 0.000 1.055) 2.578 3.333 ( -7.542 0.000 -4.735) 8.905 3.416 ( 1.949 0.000 -0.099) 1.952 3.493 ( -0.855 0.000 2.606) 2.742 3.497 ( -3.211 0.000 1.898) 3.730 3.613 ( -4.076 0.000 -0.023) 4.076 3.683 ( -3.803 0.000 4.458) 5.860 3.709 ( -3.257 0.000 6.782) 7.523 3.801 ( 2.364 0.000 -0.493) 2.415 3.803 ( -6.458 0.000 0.697) 6.495 3.852 ( -7.265 0.000 -7.290) 10.292 3.979 ( 1.693 0.000 -3.990) 4.334 4.078 ( -8.023 0.000 -0.239) 8.027 4.212 ( 0.128 0.000 6.719) 6.720 4.233 ( -6.963 0.000 -8.583) 11.052 4.265 ( -4.922 0.000 2.322) 5.442 4.441 ( -3.195 0.000 -1.055) 3.365 4.538 ( 3.390 0.000 -12.585) 13.034 4.590 ( -5.098 0.000 6.542) 8.294 4.677 ( 1.776 0.000 10.373) 10.524 4.765 ( -0.656 0.000 -5.212) 5.253 4.767 ( 1.135 0.000 -6.289) 6.391 4.955 ( 0.103 0.000 1.831) 1.833 4.982 ( 0.589 0.000 0.931) 1.102 5.040 ( 4.227 0.000 4.558) 6.216 5.140 ( 6.128 0.000 12.525) 13.944 5.157 ( -1.675 0.000 -5.166) 5.431 5.274 ( -2.319 0.000 -2.624) 3.502 5.337 ( 5.032 0.000 -4.690) 6.878 5.358 ( -3.023 0.000 -6.609) 7.268 5.427 ( -1.669 0.000 1.918) 2.542 5.571 ( 0.423 0.000 3.040) 3.069 5.624 ( 1.049 0.000 -2.469) 2.683 5.634 ( -0.189 0.000 -8.424) 8.427 5.735 ( -2.632 0.000 3.711) 4.550 5.766 ( -3.927 0.000 -7.623) 8.575 5.839 ( 1.831 0.000 -1.230) 2.206 6.064 ( 4.389 0.000 -6.415) 7.773 6.172 ( 0.415 0.000 -5.131) 5.148 6.219 ( 7.655 0.000 6.079) 9.775 6.318 ( 0.846 0.000 -5.706) 5.768 6.372 ( 0.830 0.000 3.918) 4.005 6.403 ( -6.038 0.000 1.534) 6.229 6.493 ( 5.340 0.000 -0.024) 5.340 6.570 ( -0.776 0.000 -3.084) 3.180 6.670 ( -6.849 0.000 2.489) 7.287 6.775 ( 4.647 0.000 3.659) 5.915 6.827 ( 2.649 0.000 2.172) 3.426 6.920 ( 1.300 0.000 -0.271) 1.328 7.000 ( -2.692 0.000 3.335) 4.286 7.133 ( -1.461 0.000 4.323) 4.563 7.192 ( -0.988 0.000 -2.440) 2.633 7.254 ( -3.250 0.000 1.967) 3.799 7.368 ( -0.999 0.000 -1.291) 1.632 7.437 ( 5.597 0.000 2.283) 6.045 7.478 ( 2.805 0.000 0.416) 2.835 7.754 ( -0.931 0.000 0.726) 1.181 8.177 ( 19.261 0.000 -2.488) 19.421 8.297 ( 19.646 0.000 -1.092) 19.677 8.546 ( 17.439 0.000 -2.098) 17.565 8.660 ( 10.233 0.000 0.627) 10.252 8.925 ( 1.830 0.000 0.545) 1.909 8.979 ( 2.024 0.000 0.254) 2.040 9.249 ( -3.454 0.000 1.690) 3.845 9.280 ( -0.340 0.000 -1.704) 1.738 9.335 ( -2.380 0.000 -1.105) 2.624 9.379 ( -4.372 0.000 -1.564) 4.643 9.427 ( -5.914 0.000 0.413) 5.929 9.518 ( -2.857 0.000 -1.350) 3.160 9.519 ( -5.501 0.000 -0.524) 5.526 9.568 ( -3.215 0.000 0.049) 3.215 9.789 ( -0.594 0.000 -2.985) 3.043 9.801 ( -7.808 0.000 2.217) 8.116 9.882 ( -0.071 0.000 5.373) 5.373 10.126 ( 4.816 0.000 -1.396) 5.014 10.202 ( 7.685 0.000 2.870) 8.204 10.205 ( 11.967 0.000 -2.676) 12.263 10.288 ( 10.074 0.000 1.998) 10.270 10.450 ( 9.740 0.000 -0.060) 9.740 10.553 ( 12.759 0.000 -3.166) 13.146 10.673 ( 8.472 0.000 -0.510) 8.487 10.785 ( 5.524 0.000 -0.805) 5.582 10.808 ( 7.347 0.000 0.695) 7.380 10.985 ( 2.369 0.000 0.154) 2.374 11.104 ( 7.086 0.000 -0.479) 7.102 11.592 ( -14.187 0.000 0.029) 14.187 11.600 ( -13.577 0.000 -0.601) 13.590 11.708 ( -3.646 0.000 -0.088) 3.647 11.740 ( -2.142 0.000 0.512) 2.202 12.075 ( -3.985 0.000 1.263) 4.180 12.155 ( -1.795 0.000 -1.828) 2.562 12.263 ( 4.985 0.000 1.764) 5.288 12.310 ( 2.168 0.000 0.724) 2.286 12.451 ( -0.292 0.000 0.962) 1.006 12.470 ( -2.065 0.000 0.210) 2.075 12.478 ( -2.761 0.000 -1.824) 3.309 12.494 ( -4.116 0.000 -2.033) 4.591 12.648 ( -2.847 0.000 2.133) 3.558 12.685 ( -3.732 0.000 -1.060) 3.880 13.008 ( -1.019 0.000 -0.414) 1.100 13.020 ( 2.353 0.000 0.671) 2.447 13.301 ( 0.841 0.000 -1.337) 1.580 13.303 ( -2.598 0.000 1.096) 2.820 13.819 ( -16.890 0.000 0.867) 16.912 13.847 ( 9.347 0.000 0.158) 9.349 13.864 ( 9.282 0.000 0.097) 9.282 14.141 ( -9.454 0.000 -5.334) 10.855 14.236 ( -3.544 0.000 -0.016) 3.544 14.306 ( -5.311 0.000 0.309) 5.320 14.383 ( 3.897 0.000 0.635) 3.948 14.401 ( 5.789 0.000 -0.866) 5.853 14.741 ( -0.516 0.000 0.074) 0.521 14.782 ( -6.002 0.000 -0.042) 6.002 15.019 ( -7.222 0.000 1.108) 7.307 15.040 ( -10.788 0.000 -3.524) 11.349 15.319 ( -11.410 0.000 0.524) 11.422 15.332 ( -10.603 0.000 0.620) 10.622 15.521 ( -8.566 0.000 -3.832) 9.384 15.551 ( -9.927 0.000 -0.064) 9.927 15.676 ( 3.779 0.000 0.657) 3.835 15.679 ( 5.561 0.000 0.176) 5.564 15.860 ( -1.157 0.000 1.334) 1.766 15.948 ( 0.185 0.000 0.349) 0.395 16.147 ( -7.120 0.000 -9.259) 11.681 16.224 ( 7.657 0.000 -1.635) 7.830 16.627 ( -2.103 0.000 0.494) 2.160 16.645 ( -3.633 0.000 0.699) 3.699 16.739 ( -1.760 0.000 -1.799) 2.517 16.894 ( 0.883 0.000 -7.891) 7.940 17.345 ( 0.255 0.000 -0.122) 0.283 17.349 ( -1.162 0.000 1.813) 2.153 17.408 ( -0.666 0.000 -0.067) 0.670 17.435 ( -0.720 0.000 -1.635) 1.787 19.811 ( -2.850 0.000 1.937) 3.446 19.980 ( -3.749 0.000 -3.636) 5.223 20.092 ( -1.527 0.000 0.704) 1.682 20.207 ( -5.567 0.000 -2.595) 6.142 20.516 ( 1.883 0.000 3.413) 3.897 20.533 ( 3.358 0.000 -1.165) 3.554 20.799 ( 2.638 0.000 -2.882) 3.907 20.808 ( 0.425 0.000 -0.544) 0.691 22.049 ( -7.762 0.000 1.194) 7.853 22.078 ( -3.562 0.000 2.564) 4.389 22.291 ( -6.943 0.000 -0.027) 6.943 22.310 ( -4.647 0.000 0.271) 4.655 22.964 ( 10.666 0.000 -2.905) 11.054 23.064 ( 8.960 0.000 1.734) 9.126 23.222 ( 8.562 0.000 -1.210) 8.647 23.239 ( 9.238 0.000 2.294) 9.518 26.787 ( -15.643 0.000 0.801) 15.664 26.877 ( -19.456 0.000 -1.675) 19.528 26.923 ( -21.701 0.000 2.372) 21.830 27.890 ( -23.632 0.000 -33.605) 41.082 28.627 ( 21.118 0.000 1.270) 21.156 28.717 ( 20.816 0.000 -0.411) 20.820 28.945 ( 15.956 0.000 1.430) 16.020 29.194 ( 15.730 0.000 -1.831) 15.836 30.087 ( -15.026 0.000 0.910) 15.053 30.211 ( -15.383 0.000 -0.837) 15.406 30.535 ( -7.490 0.000 3.171) 8.133 30.772 ( -0.401 0.000 -0.776) 0.873 30.864 ( -4.587 0.000 0.891) 4.673 31.042 ( -5.637 0.000 -0.675) 5.677 31.272 ( -8.643 0.000 -0.299) 8.648 31.467 ( -5.631 0.000 -10.829) 12.206 31.532 ( 1.141 0.000 -0.410) 1.213 31.759 ( -0.346 0.000 -8.393) 8.400 31.887 ( -0.292 0.000 1.977) 1.999 31.938 ( 2.090 0.000 -0.356) 2.120 31.992 ( 5.094 0.000 -4.359) 6.705 32.078 ( 5.291 0.000 -4.872) 7.192 32.380 ( -0.393 0.000 -1.805) 1.847 32.776 ( -8.138 0.000 -3.460) 8.844 32.865 ( -12.063 0.000 4.992) 13.055 33.018 ( -13.834 0.000 0.622) 13.848 33.110 ( -13.076 0.000 -2.936) 13.402 33.394 ( 9.959 0.000 -8.103) 12.839 33.632 ( 3.990 0.000 3.671) 5.422 34.026 ( 10.437 0.000 -21.192) 23.623 34.094 ( 7.227 0.000 -6.301) 9.588 34.181 ( 7.914 0.000 -4.862) 9.288 34.909 ( 0.817 0.000 -0.566) 0.994 34.926 ( -0.841 0.000 1.108) 1.391 35.074 ( -3.142 0.000 5.011) 5.915 35.133 ( -2.607 0.000 6.098) 6.632 35.678 ( -1.838 0.000 -4.176) 4.563 35.724 ( -5.750 0.000 -2.566) 6.296 35.811 ( -4.014 0.000 -0.858) 4.104 35.892 ( -5.688 0.000 -2.577) 6.245 36.037 ( -3.046 0.000 8.039) 8.596 36.099 ( -0.917 0.000 5.349) 5.427 36.431 ( 5.652 0.000 15.131) 16.152 36.579 ( 6.100 0.000 5.292) 8.075 36.980 ( -12.085 0.000 10.623) 16.090 37.896 ( 14.033 0.000 30.225) 33.324 38.149 ( 11.183 0.000 -7.963) 13.728 38.746 ( 17.475 0.000 -4.683) 18.092 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -35.659 0.000 15.269) 38.790 0.926 ( -17.427 0.000 22.699) 28.617 1.564 ( -2.994 0.000 33.469) 33.603 1.788 ( -23.642 0.000 -15.940) 28.513 1.867 ( -2.278 0.000 -7.267) 7.616 2.076 ( 7.328 0.000 11.259) 13.433 2.307 ( 10.096 0.000 -8.077) 12.930 2.368 ( -4.279 0.000 12.970) 13.658 2.594 ( 1.935 0.000 14.975) 15.100 2.710 ( -1.579 0.000 -1.549) 2.212 2.749 ( 2.062 0.000 5.643) 6.008 2.750 ( 0.647 0.000 12.712) 12.728 2.849 ( 6.393 0.000 1.105) 6.488 2.873 ( -5.639 0.000 3.286) 6.526 2.926 ( -1.135 0.000 3.479) 3.659 2.980 ( -0.340 0.000 -4.208) 4.222 3.091 ( -5.192 0.000 5.845) 7.818 3.110 ( 3.490 0.000 -1.634) 3.854 3.154 ( -0.645 0.000 -6.455) 6.487 3.248 ( 3.849 0.000 -0.317) 3.862 3.279 ( 6.631 0.000 3.512) 7.504 3.393 ( -13.299 0.000 -0.122) 13.300 3.397 ( -7.060 0.000 -0.554) 7.081 3.513 ( 0.971 0.000 -2.973) 3.128 3.528 ( -2.398 0.000 1.363) 2.759 3.648 ( -4.990 0.000 -0.071) 4.990 3.658 ( -3.756 0.000 -4.417) 5.798 3.690 ( 0.679 0.000 1.079) 1.275 3.795 ( -2.153 0.000 -0.814) 2.302 3.823 ( 0.978 0.000 6.485) 6.558 3.912 ( 1.381 0.000 -4.561) 4.765 4.007 ( -8.580 0.000 -5.930) 10.430 4.053 ( 0.903 0.000 1.149) 1.462 4.227 ( -4.139 0.000 -2.295) 4.732 4.287 ( -1.149 0.000 7.432) 7.520 4.354 ( -1.412 0.000 -5.132) 5.323 4.498 ( 1.449 0.000 0.283) 1.477 4.606 ( -6.990 0.000 -4.276) 8.194 4.651 ( -3.486 0.000 8.187) 8.899 4.731 ( 1.898 0.000 -4.481) 4.866 4.767 ( 1.485 0.000 -3.277) 3.598 4.979 ( 0.014 0.000 1.783) 1.783 4.997 ( 1.093 0.000 0.729) 1.314 5.028 ( -1.969 0.000 -2.195) 2.948 5.115 ( -3.159 0.000 4.998) 5.912 5.204 ( -1.631 0.000 -6.518) 6.719 5.214 ( 1.444 0.000 -4.667) 4.885 5.302 ( -0.170 0.000 -2.897) 2.902 5.391 ( 5.244 0.000 -2.235) 5.701 5.479 ( -7.093 0.000 -4.742) 8.532 5.499 ( 2.212 0.000 -4.411) 4.934 5.550 ( -3.377 0.000 0.293) 3.390 5.606 ( 4.227 0.000 1.811) 4.598 5.642 ( 1.146 0.000 -1.591) 1.960 5.869 ( 7.684 0.000 5.896) 9.685 5.869 ( -0.067 0.000 1.644) 1.646 5.993 ( -2.180 0.000 -11.862) 12.061 6.118 ( -0.072 0.000 -4.723) 4.724 6.242 ( 2.140 0.000 -12.014) 12.203 6.279 ( -7.771 0.000 0.306) 7.777 6.342 ( 2.574 0.000 3.926) 4.694 6.529 ( -2.010 0.000 0.148) 2.015 6.554 ( 3.829 0.000 0.971) 3.950 6.577 ( 3.555 0.000 1.362) 3.807 6.667 ( 5.582 0.000 4.671) 7.279 6.861 ( -3.433 0.000 -4.056) 5.314 6.902 ( 3.461 0.000 1.606) 3.815 6.915 ( 7.484 0.000 4.668) 8.821 7.004 ( -0.778 0.000 3.912) 3.989 7.127 ( 2.640 0.000 -4.683) 5.376 7.200 ( -0.619 0.000 2.992) 3.056 7.210 ( -4.907 0.000 0.508) 4.933 7.463 ( 10.515 0.000 3.004) 10.936 7.562 ( 5.196 0.000 2.684) 5.848 7.579 ( 6.988 0.000 4.846) 8.504 7.736 ( -2.953 0.000 1.848) 3.483 8.455 ( 17.334 0.000 0.681) 17.347 8.581 ( 18.071 0.000 -2.346) 18.223 8.766 ( 10.626 0.000 -0.363) 10.632 8.775 ( 3.935 0.000 0.105) 3.937 9.005 ( 6.091 0.000 1.202) 6.209 9.016 ( 1.166 0.000 0.451) 1.250 9.186 ( -2.094 0.000 -2.528) 3.283 9.235 ( 1.746 0.000 -5.278) 5.559 9.293 ( -4.928 0.000 2.159) 5.381 9.311 ( -2.861 0.000 -0.352) 2.883 9.369 ( -4.168 0.000 -0.164) 4.171 9.452 ( -2.072 0.000 -1.418) 2.510 9.464 ( -0.556 0.000 -2.204) 2.273 9.508 ( -4.687 0.000 -0.140) 4.689 9.694 ( -9.643 0.000 3.340) 10.206 9.709 ( -3.572 0.000 -3.529) 5.021 9.952 ( -0.433 0.000 7.556) 7.568 10.169 ( 3.977 0.000 -3.042) 5.007 10.299 ( 0.797 0.000 2.937) 3.043 10.317 ( 6.089 0.000 -2.786) 6.696 10.467 ( 8.838 0.000 1.891) 9.038 10.563 ( 7.113 0.000 -3.325) 7.851 10.752 ( 13.142 0.000 -0.864) 13.170 10.804 ( 7.516 0.000 -0.225) 7.519 10.848 ( 5.245 0.000 -1.381) 5.423 10.902 ( 4.516 0.000 -0.524) 4.546 11.038 ( 3.306 0.000 1.073) 3.476 11.186 ( 2.308 0.000 -0.828) 2.452 11.361 ( -14.553 0.000 -1.280) 14.609 11.365 ( -14.096 0.000 0.100) 14.096 11.680 ( 1.069 0.000 -0.326) 1.118 11.723 ( -0.922 0.000 0.447) 1.024 12.027 ( -5.054 0.000 2.838) 5.796 12.098 ( -1.109 0.000 -3.405) 3.581 12.352 ( 1.755 0.000 1.078) 2.060 12.364 ( 4.040 0.000 1.263) 4.233 12.420 ( -1.874 0.000 -1.388) 2.332 12.431 ( -1.698 0.000 -0.633) 1.812 12.447 ( 0.105 0.000 0.021) 0.107 12.458 ( -0.247 0.000 0.823) 0.859 12.598 ( -5.169 0.000 -0.021) 5.170 12.609 ( -3.686 0.000 -1.548) 3.998 12.995 ( -0.237 0.000 0.621) 0.665 13.047 ( 0.526 0.000 0.333) 0.623 13.287 ( -1.576 0.000 1.281) 2.031 13.314 ( 2.566 0.000 -1.954) 3.225 13.588 ( -13.443 0.000 0.769) 13.465 13.725 ( -28.215 0.000 -11.428) 30.442 13.986 ( 6.781 0.000 0.553) 6.804 14.015 ( 9.181 0.000 -0.173) 9.182 14.216 ( -4.388 0.000 -0.361) 4.403 14.222 ( -0.091 0.000 1.147) 1.151 14.455 ( 3.300 0.000 0.740) 3.382 14.487 ( 5.810 0.000 -1.128) 5.918 14.644 ( -8.385 0.000 -0.834) 8.426 14.661 ( -9.842 0.000 1.767) 9.999 14.908 ( -2.227 0.000 1.357) 2.608 14.936 ( -2.733 0.000 -0.862) 2.865 15.139 ( -11.334 0.000 0.834) 11.365 15.152 ( -10.996 0.000 -0.507) 11.008 15.230 ( -16.779 0.000 -4.295) 17.320 15.354 ( -13.046 0.000 -0.710) 13.065 15.747 ( 3.930 0.000 0.629) 3.980 15.782 ( 5.922 0.000 0.846) 5.983 15.890 ( 1.688 0.000 1.397) 2.191 15.937 ( -5.431 0.000 -4.418) 7.001 16.012 ( 3.265 0.000 4.135) 5.269 16.284 ( 3.848 0.000 -3.958) 5.520 16.584 ( -3.368 0.000 -0.055) 3.369 16.616 ( -1.158 0.000 1.761) 2.107 16.697 ( -1.298 0.000 -2.349) 2.683 16.729 ( -8.469 0.000 -3.595) 9.200 17.354 ( 0.823 0.000 0.116) 0.831 17.358 ( -0.306 0.000 1.681) 1.708 17.400 ( -0.593 0.000 0.238) 0.639 17.413 ( 0.138 0.000 -0.791) 0.803 19.799 ( -2.328 0.000 1.032) 2.547 19.882 ( -2.333 0.000 -4.252) 4.850 20.099 ( 0.322 0.000 1.405) 1.441 20.128 ( -0.723 0.000 -0.498) 0.878 20.565 ( -0.386 0.000 2.828) 2.854 20.569 ( 2.664 0.000 -0.703) 2.755 20.807 ( 0.079 0.000 0.136) 0.157 20.808 ( 2.490 0.000 -2.526) 3.547 21.987 ( -3.307 0.000 3.020) 4.478 22.094 ( 0.534 0.000 0.088) 0.541 22.214 ( -2.345 0.000 0.842) 2.492 22.254 ( -2.572 0.000 -0.212) 2.581 23.075 ( 7.505 0.000 -2.941) 8.060 23.157 ( 2.491 0.000 -2.335) 3.414 23.354 ( 7.839 0.000 1.425) 7.967 23.388 ( 6.050 0.000 1.767) 6.303 26.596 ( -9.510 0.000 0.290) 9.515 26.611 ( -11.780 0.000 -0.778) 11.806 26.662 ( -14.370 0.000 1.875) 14.492 26.944 ( -40.484 0.000 -19.314) 44.855 28.945 ( 16.574 0.000 1.968) 16.690 29.031 ( 19.744 0.000 -1.234) 19.783 29.163 ( 7.629 0.000 3.544) 8.412 29.384 ( 11.419 0.000 -3.763) 12.023 29.862 ( -15.246 0.000 1.557) 15.325 29.942 ( -15.079 0.000 -2.769) 15.331 30.497 ( -5.007 0.000 8.282) 9.678 30.751 ( -0.384 0.000 -1.865) 1.904 30.836 ( -1.700 0.000 1.890) 2.542 30.928 ( -4.787 0.000 -3.478) 5.917 31.155 ( -5.610 0.000 -0.157) 5.612 31.193 ( -10.164 0.000 -4.962) 11.311 31.510 ( -1.870 0.000 -0.692) 1.994 31.567 ( -7.935 0.000 -0.290) 7.940 31.923 ( -0.875 0.000 7.992) 8.040 32.048 ( 8.899 0.000 1.948) 9.110 32.137 ( 11.285 0.000 -1.649) 11.405 32.205 ( 9.450 0.000 0.944) 9.497 32.386 ( 2.063 0.000 -1.148) 2.361 32.604 ( -5.775 0.000 -6.668) 8.821 32.746 ( -10.405 0.000 5.132) 11.602 32.806 ( -13.518 0.000 1.237) 13.575 32.885 ( -9.634 0.000 -3.917) 10.400 33.325 ( 3.679 0.000 -25.211) 25.478 33.738 ( 2.450 0.000 5.454) 5.979 33.890 ( 1.768 0.000 -13.235) 13.353 34.097 ( 3.551 0.000 -7.287) 8.106 34.201 ( 3.933 0.000 -7.563) 8.525 34.971 ( 4.319 0.000 1.466) 4.561 34.996 ( 4.677 0.000 4.663) 6.604 35.069 ( -3.979 0.000 3.940) 5.600 35.155 ( -2.706 0.000 4.713) 5.435 35.622 ( 0.411 0.000 -3.567) 3.590 35.629 ( -4.982 0.000 0.521) 5.009 35.752 ( -1.937 0.000 -1.080) 2.217 35.789 ( -4.658 0.000 -0.817) 4.729 36.106 ( -1.540 0.000 10.234) 10.349 36.177 ( 0.112 0.000 9.290) 9.290 36.547 ( 0.259 0.000 -4.628) 4.635 36.613 ( 1.563 0.000 -6.119) 6.316 37.109 ( -2.239 0.000 30.910) 30.991 38.151 ( 5.366 0.000 -14.400) 15.368 38.586 ( 25.733 0.000 15.797) 30.195 38.916 ( 11.380 0.000 -5.335) 12.568 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.906 18.073 18.293) 25.878 1.420 ( 2.240 18.619 -10.525) 21.505 1.475 ( -0.627 20.067 6.609) 21.137 1.822 ( 3.988 10.287 -13.846) 17.705 1.947 ( -2.939 -14.521 6.633) 16.233 2.137 ( 3.146 -13.792 0.107) 14.147 2.178 ( 0.618 -0.682 15.462) 15.489 2.377 ( -1.899 -10.468 8.681) 13.732 2.493 ( -0.759 -1.783 11.030) 11.199 2.766 ( 3.789 -7.498 9.110) 12.392 2.819 ( 0.483 -1.248 7.579) 7.697 2.858 ( -4.704 0.437 -1.494) 4.954 2.883 ( -3.272 0.503 5.078) 6.062 2.942 ( 3.716 0.910 0.674) 3.885 2.975 ( -2.182 2.429 -1.858) 3.756 3.009 ( -0.458 1.525 -1.659) 2.300 3.112 ( -1.296 0.700 2.852) 3.210 3.125 ( 0.029 4.869 3.704) 6.118 3.185 ( -3.446 0.339 -2.896) 4.514 3.246 ( 3.252 6.419 -0.090) 7.196 3.256 ( 1.517 5.076 -8.867) 10.329 3.340 ( 2.546 -0.744 -0.030) 2.653 3.432 ( 3.726 1.625 -3.099) 5.112 3.501 ( -1.797 -0.670 -7.717) 7.952 3.579 ( -1.067 1.960 3.754) 4.367 3.608 ( -3.623 3.068 2.952) 5.590 3.637 ( 0.609 0.964 -0.699) 1.337 3.692 ( -1.320 5.111 -3.230) 6.188 3.792 ( 1.317 1.071 2.146) 2.736 3.858 ( 3.288 -4.324 -2.942) 6.178 3.918 ( -2.504 2.763 4.205) 5.621 3.978 ( -0.581 -0.081 2.298) 2.372 4.042 ( -3.000 -0.298 0.369) 3.038 4.145 ( 3.440 3.013 -6.183) 7.691 4.227 ( -3.127 -4.218 2.531) 5.829 4.312 ( -0.568 -4.090 -3.551) 5.446 4.441 ( 2.260 0.772 4.032) 4.686 4.571 ( -2.905 3.983 -6.237) 7.950 4.625 ( -0.495 -0.964 7.695) 7.771 4.765 ( 0.393 1.825 3.589) 4.045 4.815 ( 2.024 1.533 -0.435) 2.576 4.887 ( -1.979 -2.488 -1.828) 3.667 5.049 ( 0.764 0.324 0.095) 0.835 5.123 ( -0.376 2.676 -0.188) 2.709 5.134 ( -1.919 6.318 -4.954) 8.255 5.154 ( -0.228 0.793 4.076) 4.158 5.178 ( 2.918 2.428 -3.298) 5.028 5.316 ( 0.178 3.121 -4.617) 5.575 5.328 ( -1.887 -1.277 -0.429) 2.318 5.418 ( 3.424 -1.686 -7.408) 8.334 5.501 ( 2.570 -2.019 1.336) 3.531 5.567 ( 0.179 3.806 -3.451) 5.140 5.650 ( 2.247 5.186 4.546) 7.253 5.721 ( -0.215 -4.332 6.280) 7.632 5.774 ( -5.423 -2.017 -9.973) 11.530 5.873 ( -0.092 -3.899 0.605) 3.946 5.967 ( 2.379 -3.176 -4.380) 5.910 6.026 ( 0.233 1.028 -5.794) 5.890 6.082 ( 4.840 -6.449 2.263) 8.375 6.178 ( -6.386 -0.947 -3.634) 7.409 6.369 ( 3.477 -6.348 2.419) 7.631 6.432 ( -4.786 -4.473 -1.577) 6.738 6.466 ( 2.115 -10.470 2.962) 11.084 6.539 ( -0.855 -8.037 -3.395) 8.766 6.644 ( 0.032 -3.507 3.545) 4.987 6.727 ( -1.418 -5.029 -4.934) 7.186 6.926 ( -3.561 -3.659 1.308) 5.271 6.948 ( 1.551 -2.573 -0.417) 3.034 7.074 ( -1.141 2.954 4.109) 5.188 7.137 ( 0.569 0.965 -0.665) 1.303 7.177 ( 1.355 0.634 1.309) 1.987 7.220 ( 1.558 0.864 -1.461) 2.304 7.580 ( 2.463 -0.909 2.292) 3.485 7.600 ( 0.705 -1.722 0.865) 2.052 7.668 ( -1.820 -2.051 2.639) 3.806 7.694 ( 0.607 -1.993 0.308) 2.107 8.692 ( -0.686 3.896 2.224) 4.538 8.750 ( 0.797 3.237 -3.302) 4.692 8.841 ( -1.273 -0.043 0.803) 1.506 8.872 ( 2.212 1.531 -1.922) 3.306 9.006 ( 4.315 2.101 1.440) 5.011 9.040 ( -3.134 1.746 -1.914) 4.066 9.153 ( -4.297 -3.715 2.089) 6.052 9.196 ( 3.930 -3.771 -0.885) 5.518 9.228 ( -2.268 -1.801 0.397) 2.923 9.254 ( 2.064 -1.629 -1.432) 2.994 9.293 ( 0.138 -2.808 -0.465) 2.849 9.315 ( -1.596 -4.584 -2.249) 5.350 9.456 ( -2.343 1.846 1.256) 3.236 9.496 ( 2.438 1.762 -2.101) 3.669 9.583 ( -4.664 -1.734 2.704) 5.663 9.640 ( 4.247 -3.003 -2.621) 5.824 10.025 ( -2.304 0.770 6.957) 7.369 10.142 ( 2.416 -4.141 -3.170) 5.748 10.402 ( -2.328 6.983 -0.248) 7.365 10.418 ( 2.204 4.586 -1.562) 5.323 10.554 ( -0.681 1.759 2.439) 3.083 10.616 ( 0.687 4.178 -3.327) 5.385 10.807 ( 1.191 -4.826 1.422) 5.170 10.835 ( -1.381 -3.623 -1.219) 4.065 10.914 ( -1.210 2.543 0.680) 2.897 10.937 ( 0.951 3.056 -1.267) 3.442 11.095 ( 1.363 -2.370 1.748) 3.245 11.139 ( -1.433 -2.053 -2.292) 3.395 11.257 ( -0.385 3.592 0.036) 3.613 11.260 ( 0.659 3.471 -0.234) 3.541 11.583 ( 0.389 -10.337 0.580) 10.360 11.596 ( -0.382 -10.172 -0.725) 10.205 12.040 ( -2.496 4.577 3.062) 6.046 12.107 ( 2.626 3.326 -3.330) 5.390 12.316 ( -1.586 -3.580 2.129) 4.457 12.359 ( 1.188 -3.649 -1.825) 4.249 12.467 ( -0.629 3.499 0.191) 3.560 12.475 ( -0.895 4.609 -0.492) 4.720 12.510 ( 0.246 4.469 0.686) 4.528 12.530 ( 0.263 5.491 -1.102) 5.606 12.667 ( -1.396 9.482 2.655) 9.945 12.726 ( 2.027 9.283 -2.969) 9.955 12.976 ( -1.978 -5.059 1.162) 5.555 12.992 ( 2.481 -4.888 -0.406) 5.497 13.299 ( 0.063 2.525 0.498) 2.575 13.316 ( 0.304 0.506 -1.073) 1.224 13.417 ( -0.524 -1.107 1.420) 1.875 13.439 ( 0.005 -1.596 -0.701) 1.743 14.192 ( 2.812 9.643 1.923) 10.227 14.230 ( -2.500 4.305 -0.994) 5.077 14.287 ( -1.975 6.899 -0.495) 7.193 14.304 ( 0.754 7.557 -2.171) 7.899 14.480 ( -3.542 1.249 1.867) 4.194 14.526 ( 3.558 4.466 -2.510) 6.237 14.616 ( 3.805 2.397 1.107) 4.631 14.644 ( -0.356 2.915 -1.394) 3.250 14.850 ( -3.837 -2.384 1.157) 4.663 14.885 ( 3.800 -0.900 -2.564) 4.672 15.026 ( -0.015 -6.034 1.896) 6.325 15.072 ( 1.138 -3.307 -2.424) 4.255 15.234 ( -5.092 11.956 2.420) 13.218 15.306 ( 4.316 19.369 -5.168) 20.506 15.792 ( 1.041 -2.158 2.100) 3.186 15.817 ( -1.895 0.415 -0.628) 2.039 15.888 ( -2.930 -0.959 1.037) 3.253 15.904 ( 2.540 -0.668 -0.334) 2.648 16.035 ( 1.784 -6.783 4.925) 8.570 16.174 ( -1.401 -8.176 -7.670) 11.298 16.576 ( 0.520 0.949 0.403) 1.154 16.588 ( -2.183 0.032 -0.769) 2.315 16.632 ( 0.602 -0.542 1.649) 1.837 16.663 ( -0.274 -1.442 -1.203) 1.897 17.372 ( 0.202 0.408 0.493) 0.671 17.376 ( 0.065 0.489 0.456) 0.671 17.395 ( -0.625 0.201 0.407) 0.773 17.412 ( 0.782 -0.333 -0.751) 1.134 19.785 ( -0.940 1.351 1.623) 2.311 19.835 ( 0.892 0.513 -3.241) 3.401 20.060 ( -0.124 -4.831 1.072) 4.950 20.075 ( -0.079 -4.934 -0.369) 4.949 20.576 ( -2.336 0.799 2.119) 3.254 20.599 ( 0.881 -0.072 0.210) 0.909 20.799 ( -0.421 -0.031 -0.527) 0.675 20.815 ( 1.642 -0.511 -1.840) 2.519 22.023 ( 0.716 1.697 2.920) 3.452 22.076 ( 0.385 0.425 -1.970) 2.052 22.188 ( -0.345 -2.499 1.059) 2.736 22.204 ( -0.388 -1.965 -0.630) 2.100 23.097 ( -1.274 -1.726 -0.668) 2.247 23.109 ( 1.688 -1.589 -1.975) 3.045 23.431 ( 0.007 -0.491 1.021) 1.133 23.434 ( -1.085 -0.589 0.774) 1.457 26.516 ( 0.255 0.132 -0.118) 0.310 26.516 ( -0.164 0.170 -0.176) 0.294 26.556 ( 0.422 0.167 0.300) 0.544 26.560 ( -0.073 -0.012 -0.028) 0.079 29.143 ( 0.089 1.749 2.834) 3.331 29.192 ( -1.625 0.969 -1.102) 2.190 29.287 ( 3.024 -0.774 3.150) 4.434 29.382 ( -0.580 -3.230 -5.029) 6.005 29.892 ( -1.008 15.932 6.758) 17.335 30.085 ( -0.472 21.906 -12.058) 25.010 30.525 ( -0.050 -2.926 8.516) 9.005 30.688 ( -0.372 -2.875 -5.645) 6.346 30.852 ( 0.025 1.032 1.454) 1.784 30.880 ( 0.870 0.335 -1.503) 1.769 31.074 ( -1.437 -1.667 1.142) 2.479 31.089 ( 0.784 -1.944 -0.292) 2.116 31.571 ( -1.278 7.749 1.831) 8.065 31.651 ( 0.348 15.663 -7.164) 17.227 31.990 ( 1.115 -6.273 12.524) 14.051 32.194 ( 1.303 1.871 0.951) 2.470 32.219 ( -3.995 2.046 -1.406) 4.703 32.291 ( 5.388 -2.600 -6.515) 8.845 32.357 ( -0.649 -4.039 0.854) 4.179 32.440 ( 2.518 -7.335 -10.538) 13.084 32.648 ( -5.589 0.658 3.067) 6.408 32.667 ( -3.322 -0.217 1.724) 3.749 32.823 ( 3.372 1.655 -2.314) 4.412 32.962 ( 0.805 -4.986 -20.107) 20.732 33.814 ( -0.036 -0.007 3.467) 3.467 33.828 ( -0.486 -0.274 0.962) 1.113 34.067 ( 0.122 0.675 -4.145) 4.201 34.124 ( 0.049 -1.569 -7.634) 7.794 35.045 ( -2.922 0.603 2.232) 3.726 35.058 ( 3.290 0.091 1.204) 3.504 35.125 ( 4.006 0.353 2.268) 4.617 35.141 ( -2.255 -0.243 1.201) 2.566 35.599 ( -2.202 2.201 0.425) 3.143 35.630 ( 2.590 1.575 -2.319) 3.817 35.712 ( -0.400 -2.184 -0.421) 2.260 35.719 ( 0.785 -1.771 -1.117) 2.237 36.225 ( 0.463 0.648 11.253) 11.282 36.280 ( 0.618 -1.826 11.013) 11.180 36.460 ( -0.262 0.917 -9.782) 9.828 36.510 ( -0.494 -1.312 -9.613) 9.715 37.594 ( -0.601 13.006 29.425) 32.177 38.052 ( -0.234 3.487 -13.212) 13.666 38.656 ( -1.518 -15.541 8.753) 17.901 38.835 ( 0.869 -11.934 -7.684) 14.220 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 18.944 7.071 5.612) 20.985 1.461 ( 18.967 8.865 -2.781) 21.120 1.683 ( 4.523 18.019 -8.994) 20.640 1.702 ( 10.136 18.123 3.531) 21.063 1.965 ( -6.126 -12.226 8.745) 16.232 2.057 ( 0.963 -11.259 -8.310) 14.026 2.298 ( -2.048 -0.879 -9.135) 9.403 2.405 ( 3.201 -7.822 7.214) 11.112 2.584 ( -4.586 -5.704 -9.183) 11.743 2.714 ( -1.937 -2.612 6.777) 7.517 2.799 ( -8.100 -1.238 2.513) 8.571 2.870 ( -1.370 -1.082 -0.989) 2.006 2.903 ( -0.043 1.473 3.420) 3.724 2.992 ( 3.506 -0.309 -0.418) 3.545 3.005 ( -1.132 -1.248 -7.243) 7.437 3.073 ( 6.540 -0.000 5.065) 8.272 3.119 ( 2.997 3.134 0.123) 4.338 3.177 ( 2.321 6.065 4.071) 7.665 3.205 ( -0.802 4.659 2.431) 5.316 3.225 ( 2.673 1.449 -5.187) 6.013 3.246 ( 1.882 0.833 -1.547) 2.575 3.302 ( -0.984 4.089 -2.535) 4.911 3.378 ( 2.489 -3.144 -0.507) 4.042 3.520 ( 4.762 1.159 2.494) 5.499 3.615 ( 0.093 4.117 1.149) 4.275 3.621 ( 1.132 5.043 -0.720) 5.219 3.682 ( 5.497 5.695 3.037) 8.478 3.725 ( 5.678 -0.523 0.582) 5.732 3.833 ( 2.927 2.574 1.920) 4.345 3.857 ( 3.476 -1.632 -5.836) 6.986 3.956 ( 0.749 4.485 1.416) 4.763 3.988 ( -2.576 0.390 0.339) 2.627 4.015 ( 3.195 -2.625 1.447) 4.381 4.140 ( -2.135 -2.661 0.424) 3.438 4.241 ( 4.000 -0.602 -0.894) 4.142 4.336 ( 3.769 -7.306 4.139) 9.204 4.436 ( -2.420 0.765 -5.745) 6.280 4.541 ( 0.665 3.926 5.930) 7.143 4.702 ( 0.139 1.434 2.158) 2.595 4.780 ( 4.697 2.434 -4.034) 6.653 4.832 ( -1.341 2.344 -5.194) 5.854 4.887 ( 2.097 -2.478 5.945) 6.774 5.034 ( -3.064 0.993 -2.007) 3.795 5.078 ( 0.025 2.131 4.291) 4.791 5.090 ( -3.527 -1.142 1.856) 4.146 5.134 ( -0.998 6.448 -2.849) 7.119 5.200 ( -1.817 1.443 1.021) 2.535 5.323 ( 3.608 2.476 0.867) 4.462 5.366 ( 3.540 1.907 2.223) 4.594 5.401 ( 2.715 -2.467 -5.644) 6.732 5.479 ( -1.786 -1.846 -6.226) 6.735 5.572 ( -0.084 0.557 3.404) 3.450 5.606 ( 1.124 4.104 -0.705) 4.313 5.768 ( -2.179 -6.090 -3.017) 7.137 5.808 ( 1.613 -6.872 6.541) 9.623 5.870 ( 3.262 1.159 1.239) 3.677 5.930 ( -1.046 -0.347 -6.325) 6.421 5.992 ( -0.902 1.771 0.271) 2.006 6.028 ( -4.506 -5.152 -0.651) 6.876 6.200 ( 3.138 -5.800 3.982) 7.703 6.334 ( -4.345 -6.209 -1.479) 7.721 6.414 ( -3.074 -6.660 0.525) 7.354 6.478 ( 0.110 -6.762 -0.234) 6.767 6.492 ( -3.550 -9.543 2.021) 10.380 6.683 ( 1.713 -1.524 -0.709) 2.400 6.739 ( 5.066 -2.796 2.888) 6.468 6.883 ( -2.778 -0.742 2.925) 4.102 6.960 ( -0.138 -2.234 -0.011) 2.239 7.070 ( -2.774 3.605 0.973) 4.651 7.139 ( -1.759 3.344 -3.187) 4.943 7.183 ( 3.205 -1.382 1.395) 3.758 7.239 ( 2.004 -0.408 -2.134) 2.956 7.528 ( -6.687 0.755 -2.417) 7.150 7.605 ( -0.895 -0.922 -1.986) 2.365 7.615 ( -4.982 -1.314 -0.466) 5.173 7.724 ( 0.381 -2.532 1.058) 2.771 8.540 ( -18.823 4.950 -1.639) 19.531 8.576 ( -14.771 4.661 1.593) 15.571 8.739 ( -12.245 -2.928 -0.794) 12.615 8.818 ( -9.341 -1.744 -0.675) 9.526 8.976 ( -2.619 -1.632 -1.798) 3.571 9.055 ( -1.698 2.469 -0.036) 2.997 9.117 ( 2.215 -0.912 1.271) 2.712 9.170 ( -1.234 3.470 3.191) 4.873 9.274 ( 3.540 -2.536 -0.924) 4.452 9.298 ( 3.862 -3.599 -1.322) 5.442 9.320 ( 6.478 -3.574 0.185) 7.401 9.365 ( 3.198 -3.329 1.332) 4.805 9.463 ( 1.181 1.871 0.982) 2.421 9.547 ( 5.349 2.084 -1.533) 5.941 9.597 ( 2.097 -3.174 3.234) 4.993 9.715 ( 7.480 -4.266 -2.399) 8.939 10.065 ( -1.322 0.516 4.589) 4.803 10.125 ( 1.603 -1.317 -5.518) 5.895 10.328 ( -7.238 4.923 0.964) 8.806 10.385 ( -5.071 2.600 -0.795) 5.753 10.510 ( -7.987 1.524 0.963) 8.188 10.551 ( -4.804 4.881 -0.601) 6.875 10.721 ( -9.802 -2.526 -1.078) 10.180 10.756 ( -7.575 -4.569 1.227) 8.931 10.840 ( -8.421 4.241 1.046) 9.486 10.900 ( -4.119 2.090 -0.665) 4.666 11.065 ( -3.412 -1.131 -0.952) 3.719 11.129 ( -2.132 -3.600 1.145) 4.338 11.361 ( 11.957 1.543 -0.297) 12.060 11.384 ( 12.707 1.517 0.024) 12.798 11.583 ( 2.056 -7.316 -0.056) 7.600 11.634 ( 4.142 -8.226 0.186) 9.212 12.070 ( 1.720 4.400 2.913) 5.550 12.129 ( 4.011 3.638 -3.309) 6.346 12.339 ( 0.709 -4.309 2.684) 5.126 12.366 ( 1.388 -3.722 -2.171) 4.526 12.422 ( -4.273 3.626 0.102) 5.605 12.433 ( -3.987 4.938 1.619) 6.550 12.495 ( -1.498 2.857 -0.494) 3.263 12.534 ( -0.320 3.547 -0.510) 3.598 12.676 ( 0.892 8.148 1.517) 8.336 12.746 ( 3.289 8.107 -1.838) 8.940 12.959 ( -0.074 -4.811 0.551) 4.843 13.014 ( 0.493 -3.913 -0.836) 4.032 13.300 ( 0.197 3.606 0.318) 3.625 13.324 ( 2.625 2.219 -0.468) 3.469 13.518 ( 10.214 -4.940 0.587) 11.362 13.556 ( 12.122 -5.152 -0.140) 13.172 14.140 ( -5.946 9.008 -1.233) 10.864 14.211 ( -7.092 7.362 0.591) 10.239 14.259 ( -1.058 8.124 1.085) 8.264 14.342 ( 8.732 10.472 0.774) 13.657 14.408 ( -4.217 -3.853 0.021) 5.713 14.484 ( -2.185 3.210 -0.531) 3.919 14.687 ( 5.748 2.046 -0.725) 6.144 14.778 ( 8.357 4.111 -1.238) 9.395 14.901 ( 10.761 0.892 -1.272) 10.872 14.929 ( 3.852 0.189 -0.452) 3.883 15.124 ( 9.295 -4.399 0.241) 10.286 15.143 ( 9.924 -4.197 -0.648) 10.795 15.273 ( 6.476 12.056 2.346) 13.885 15.394 ( 11.201 8.682 -1.845) 14.291 15.733 ( -5.495 -2.454 0.349) 6.028 15.798 ( -7.697 -0.730 -0.236) 7.735 15.865 ( 2.848 -0.287 0.680) 2.942 15.921 ( -0.185 1.142 0.711) 1.358 16.045 ( -2.724 -8.705 -5.627) 10.717 16.114 ( -1.261 -6.590 5.193) 8.485 16.590 ( 2.827 0.459 0.201) 2.871 16.632 ( 3.034 -0.855 0.294) 3.166 16.653 ( 2.100 0.328 0.194) 2.134 16.690 ( 3.734 -0.412 1.027) 3.894 17.366 ( -0.689 0.596 -0.315) 0.965 17.379 ( -0.040 0.255 -0.047) 0.262 17.395 ( -0.245 0.205 0.740) 0.806 17.415 ( 0.895 -0.407 -1.029) 1.423 19.812 ( 1.647 0.900 2.304) 2.971 19.834 ( 2.722 0.003 -2.273) 3.547 20.064 ( 0.389 -3.980 0.020) 3.999 20.080 ( 1.024 -3.925 0.378) 4.074 20.551 ( -3.846 1.445 2.032) 4.584 20.601 ( -1.048 -0.637 0.036) 1.226 20.780 ( -1.287 0.703 -0.145) 1.473 20.817 ( 0.772 -0.882 -1.445) 1.861 22.070 ( 2.943 1.365 -2.963) 4.394 22.082 ( 3.098 0.891 1.118) 3.412 22.201 ( 1.769 -1.709 0.507) 2.512 22.226 ( 2.759 -1.903 0.678) 3.420 23.038 ( -5.514 -0.331 -0.030) 5.524 23.091 ( -2.204 -2.812 -0.406) 3.596 23.360 ( -8.842 -0.357 0.378) 8.857 23.382 ( -7.118 -1.336 0.805) 7.287 26.603 ( 11.040 0.703 0.166) 11.063 26.617 ( 11.944 1.002 0.051) 11.986 26.698 ( 17.644 -1.889 -0.753) 17.761 26.718 ( 18.743 -1.627 0.421) 18.818 29.011 ( -16.311 4.018 0.278) 16.801 29.066 ( -14.735 4.467 -0.025) 15.398 29.225 ( -10.563 -3.727 -4.061) 11.915 29.254 ( -10.825 -3.672 3.000) 11.818 30.043 ( 10.618 15.791 -0.377) 19.032 30.122 ( 12.684 17.060 2.231) 21.376 30.609 ( 0.756 -4.374 -2.926) 5.317 30.643 ( 2.052 -2.755 3.283) 4.751 30.884 ( 2.490 0.914 -0.750) 2.756 30.897 ( 3.838 1.271 0.034) 4.043 31.098 ( 2.972 -2.633 0.806) 4.051 31.145 ( 6.001 -2.463 -0.364) 6.497 31.594 ( 1.082 9.792 1.749) 10.006 31.668 ( 6.481 10.793 0.034) 12.589 32.059 ( -7.697 -1.724 -1.860) 8.104 32.100 ( -7.361 0.116 1.949) 7.615 32.146 ( -5.838 -4.157 -5.068) 8.777 32.242 ( -1.400 -0.794 -4.832) 5.093 32.306 ( -1.535 -8.200 7.134) 10.977 32.340 ( -4.498 -4.330 -1.150) 6.348 32.754 ( 8.937 -0.051 6.843) 11.256 32.784 ( 10.882 -0.866 3.909) 11.595 32.902 ( 9.331 0.761 -6.886) 11.621 32.924 ( 9.472 -0.269 0.650) 9.498 33.815 ( -2.323 0.260 -0.131) 2.341 33.824 ( -1.775 -0.039 0.225) 1.790 34.034 ( -3.301 -0.544 -2.516) 4.186 34.042 ( -3.050 -0.822 3.496) 4.712 34.995 ( -4.164 1.314 -0.022) 4.367 35.058 ( -3.140 -1.526 -1.759) 3.909 35.150 ( 3.665 1.650 -1.215) 4.199 35.201 ( 3.713 -0.669 -0.303) 3.785 35.589 ( -0.027 2.681 1.060) 2.883 35.669 ( 4.871 1.232 -1.430) 5.224 35.717 ( 2.110 -2.078 -0.279) 2.974 35.759 ( 4.501 -2.022 -0.203) 4.938 36.336 ( 1.263 -0.143 -9.739) 9.822 36.354 ( 0.903 -1.032 1.179) 1.808 36.400 ( 0.596 0.363 -0.280) 0.752 36.427 ( 0.800 -0.621 7.940) 8.004 37.810 ( -4.109 10.085 -21.149) 23.788 37.845 ( -4.651 8.951 20.927) 23.231 38.636 ( -13.555 -12.411 9.744) 20.802 38.656 ( -11.452 -13.298 -9.053) 19.747 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 13.367 7.826 -15.075) 21.614 1.627 ( 7.681 15.378 -12.896) 21.489 1.826 ( 18.104 3.761 8.917) 20.528 1.910 ( 2.344 -9.154 -1.433) 9.557 2.013 ( 9.333 -0.649 -0.082) 9.356 2.100 ( 13.240 1.558 7.548) 15.320 2.258 ( 6.542 5.586 -1.583) 8.747 2.421 ( 1.775 -4.133 -10.153) 11.104 2.496 ( 0.747 -5.717 -1.149) 5.879 2.628 ( -5.148 -6.571 0.172) 8.350 2.750 ( -4.064 -3.251 -1.681) 5.469 2.791 ( -3.388 -1.333 -10.441) 11.057 2.863 ( -1.326 -1.689 -2.991) 3.682 2.912 ( 1.285 -0.719 -3.564) 3.856 3.042 ( 5.745 1.334 -5.120) 7.810 3.049 ( -2.989 6.678 -0.614) 7.342 3.157 ( -0.075 -0.536 -5.553) 5.579 3.161 ( 2.316 4.915 -3.224) 6.318 3.232 ( 2.156 1.281 -0.549) 2.567 3.265 ( 5.542 1.254 -1.411) 5.855 3.313 ( -1.538 -3.470 5.999) 7.099 3.330 ( 3.899 5.658 -1.799) 7.104 3.529 ( 5.124 2.493 3.036) 6.456 3.596 ( 0.879 5.220 -3.481) 6.335 3.648 ( 6.225 3.901 1.702) 7.541 3.695 ( 1.870 3.554 8.000) 8.952 3.714 ( 2.437 2.367 0.857) 3.504 3.829 ( 5.765 0.339 -6.686) 8.835 3.843 ( 3.910 3.659 0.064) 5.355 3.943 ( 1.481 2.815 -4.964) 5.896 3.957 ( 7.554 2.996 1.532) 8.270 4.064 ( 3.755 -0.789 -1.436) 4.097 4.079 ( 6.799 3.544 7.720) 10.880 4.143 ( -1.895 -7.960 7.100) 10.833 4.303 ( 3.441 -1.704 0.229) 3.847 4.396 ( 3.347 3.411 -2.369) 5.333 4.451 ( 0.883 -9.808 4.690) 10.907 4.562 ( -2.855 3.944 1.316) 5.044 4.675 ( 1.012 0.381 -4.351) 4.483 4.756 ( -2.008 4.068 1.167) 4.684 4.827 ( 3.390 -0.775 -4.472) 5.665 4.972 ( -0.360 -4.751 -0.759) 4.824 4.990 ( -0.270 -1.094 1.788) 2.114 5.076 ( 2.221 1.324 3.532) 4.377 5.100 ( -1.363 -0.694 1.372) 2.054 5.131 ( -0.934 1.617 -0.255) 1.885 5.233 ( 2.480 3.009 5.711) 6.915 5.314 ( -5.112 2.272 1.486) 5.788 5.393 ( 1.777 -7.608 -3.148) 8.423 5.409 ( -1.660 7.516 -1.374) 7.818 5.490 ( 2.193 1.126 2.782) 3.717 5.539 ( -1.586 -1.895 1.254) 2.771 5.670 ( 1.179 4.236 -2.039) 4.846 5.708 ( 1.469 0.952 1.171) 2.107 5.791 ( -3.244 -1.814 -4.331) 5.707 5.842 ( -1.313 -6.271 -0.335) 6.416 5.908 ( -2.153 -4.532 7.285) 8.846 6.030 ( -0.800 6.168 5.868) 8.551 6.065 ( 0.804 -8.247 3.803) 9.118 6.188 ( -3.818 -8.737 -1.167) 9.606 6.335 ( -1.530 -7.448 0.933) 7.661 6.369 ( 3.632 -4.191 -0.158) 5.548 6.409 ( -7.447 -6.698 1.188) 10.086 6.511 ( -0.504 -3.741 2.232) 4.385 6.729 ( 4.232 4.077 0.553) 5.902 6.813 ( 0.606 -1.127 0.822) 1.521 6.920 ( 1.594 2.033 -1.064) 2.794 6.969 ( 2.689 2.764 -1.703) 4.216 7.044 ( 0.352 0.691 -0.229) 0.808 7.087 ( 0.041 0.721 1.528) 1.690 7.227 ( 0.281 -0.647 -2.347) 2.451 7.266 ( 5.169 -2.922 0.159) 5.940 7.385 ( -6.430 2.394 -2.188) 7.201 7.487 ( -6.630 -2.930 -4.035) 8.297 7.553 ( -2.467 3.431 -2.153) 4.743 7.722 ( -1.601 -3.196 0.657) 3.634 8.213 ( -20.587 5.941 -0.265) 21.429 8.324 ( -17.553 5.225 0.178) 18.315 8.473 ( -19.108 -4.679 0.323) 19.675 8.620 ( -13.559 -6.863 -0.947) 15.227 8.955 ( 1.751 2.855 -1.143) 3.539 9.025 ( -0.325 2.556 -0.245) 2.588 9.182 ( 0.191 1.043 4.744) 4.861 9.232 ( 4.096 -1.672 0.480) 4.450 9.335 ( 4.679 -0.726 0.094) 4.736 9.353 ( 3.885 -2.341 0.299) 4.546 9.400 ( 4.024 -2.696 0.417) 4.862 9.446 ( 4.503 -2.185 2.076) 5.419 9.498 ( 2.866 1.078 -0.113) 3.064 9.608 ( 4.119 2.442 -0.568) 4.822 9.673 ( 2.476 -5.441 1.932) 6.282 9.788 ( 4.607 -5.267 -1.490) 7.155 10.056 ( -0.888 1.620 -3.971) 4.379 10.084 ( -2.483 0.032 -0.684) 2.576 10.200 ( -10.496 2.865 1.014) 10.927 10.240 ( -11.135 0.765 -1.534) 11.266 10.350 ( -11.015 1.357 -1.518) 11.202 10.474 ( -7.855 4.377 4.133) 9.897 10.523 ( -11.580 -0.263 -2.585) 11.867 10.676 ( -5.620 -4.772 1.776) 7.583 10.720 ( -7.770 5.373 2.186) 9.697 10.818 ( -4.637 0.998 -0.775) 4.806 10.998 ( -3.679 -1.324 -1.092) 4.059 11.051 ( -8.255 -4.326 1.019) 9.375 11.566 ( 12.630 -0.808 0.258) 12.658 11.583 ( 12.165 -1.704 -0.295) 12.287 11.671 ( 8.171 -1.622 0.185) 8.333 11.721 ( 6.425 -3.026 0.101) 7.103 12.138 ( 1.670 4.056 -1.624) 4.677 12.143 ( 3.415 3.351 1.402) 4.986 12.317 ( -5.870 2.320 0.386) 6.324 12.332 ( -1.394 -2.144 -2.051) 3.278 12.398 ( -0.956 1.371 1.887) 2.521 12.439 ( 2.470 -3.884 1.178) 4.751 12.469 ( -1.086 0.075 0.336) 1.139 12.512 ( -0.817 0.793 -0.770) 1.375 12.722 ( 2.613 5.745 0.091) 6.312 12.779 ( 2.631 5.997 -0.565) 6.573 12.973 ( -0.113 -4.214 0.575) 4.255 12.993 ( -1.333 -3.438 -1.139) 3.860 13.327 ( 3.262 6.360 0.100) 7.148 13.380 ( 4.853 6.015 -0.340) 7.736 13.683 ( 7.371 -8.511 0.959) 11.300 13.723 ( 7.123 -8.337 -0.149) 10.967 14.053 ( -1.678 10.614 -0.432) 10.754 14.143 ( -0.870 7.423 0.943) 7.534 14.277 ( 1.868 0.607 -0.253) 1.980 14.319 ( -3.144 -3.735 -0.156) 4.884 14.434 ( 2.171 9.251 -2.983) 9.960 14.526 ( 0.766 12.918 4.448) 13.684 14.760 ( 2.852 0.150 -0.259) 2.867 14.828 ( 1.466 0.376 -0.816) 1.720 15.004 ( 8.047 4.636 -0.468) 9.299 15.081 ( 10.122 2.401 -0.525) 10.416 15.279 ( 9.402 -4.549 -0.086) 10.445 15.311 ( 10.421 -3.111 0.330) 10.881 15.458 ( 11.884 1.299 0.439) 11.962 15.547 ( 7.482 0.624 0.841) 7.555 15.653 ( -5.135 -2.933 0.785) 5.965 15.669 ( -7.120 -2.164 -0.865) 7.491 15.885 ( 3.550 -0.090 -1.757) 3.962 15.942 ( 0.644 -3.301 -3.363) 4.756 16.028 ( 5.203 1.779 4.682) 7.222 16.133 ( -3.451 -3.265 4.668) 6.661 16.639 ( 1.887 -0.336 -0.126) 1.920 16.652 ( 2.107 -0.780 -0.620) 2.330 16.710 ( 2.388 1.959 1.334) 3.365 16.778 ( 3.021 -0.909 2.868) 4.264 17.355 ( 0.155 0.688 -0.441) 0.832 17.379 ( 0.774 -0.157 -0.521) 0.947 17.404 ( 0.310 0.109 0.854) 0.915 17.416 ( 0.601 -0.163 -0.864) 1.065 19.850 ( 3.510 -0.333 -2.295) 4.207 19.894 ( 3.952 -0.916 3.016) 5.056 20.089 ( 2.854 -1.159 -0.058) 3.080 20.136 ( 4.872 -2.047 2.030) 5.661 20.506 ( -4.971 1.601 2.379) 5.739 20.563 ( -3.603 -0.646 -0.256) 3.670 20.759 ( -1.850 0.925 0.680) 2.177 20.804 ( -0.572 -0.992 -1.002) 1.521 22.110 ( 6.311 1.751 -2.330) 6.952 22.134 ( 4.536 0.767 -1.530) 4.848 22.273 ( 6.024 -0.755 1.046) 6.160 22.296 ( 5.131 -1.376 0.473) 5.333 22.931 ( -8.319 0.635 0.373) 8.352 23.031 ( -5.712 -3.663 0.349) 6.795 23.193 ( -11.844 -0.475 -0.094) 11.853 23.245 ( -10.457 -2.047 -0.143) 10.657 26.829 ( 17.616 1.928 -1.437) 17.779 26.874 ( 19.532 3.198 1.871) 19.880 26.982 ( 23.096 -2.398 -4.824) 23.716 27.191 ( 29.063 -9.699 12.549) 33.109 28.718 ( -20.628 5.730 -0.211) 21.410 28.774 ( -20.910 6.435 0.100) 21.878 28.963 ( -17.496 -4.471 -3.583) 18.411 29.067 ( -16.827 -6.472 3.102) 18.293 30.209 ( 12.839 9.868 -2.466) 16.380 30.375 ( 10.608 14.969 6.112) 19.338 30.585 ( 3.961 -4.046 -5.378) 7.809 30.722 ( 1.169 -1.330 3.655) 4.061 30.919 ( 4.612 2.631 -1.352) 5.479 31.021 ( 8.538 2.196 3.333) 9.425 31.173 ( 5.218 -5.602 1.119) 7.737 31.248 ( 7.305 -3.550 -0.223) 8.125 31.619 ( -0.874 6.716 0.916) 6.835 31.800 ( 0.188 11.639 5.772) 12.993 31.930 ( -7.132 1.204 -0.004) 7.233 31.950 ( -4.607 -7.230 -7.798) 11.589 31.992 ( -3.534 5.348 1.984) 6.710 32.129 ( -3.904 2.755 -2.816) 5.546 32.287 ( -1.847 -3.671 2.278) 4.698 32.515 ( 3.021 -9.285 16.506) 19.178 32.972 ( 10.604 0.077 1.408) 10.697 33.021 ( 13.475 -1.183 2.376) 13.734 33.031 ( 10.444 1.546 2.680) 10.892 33.092 ( 7.596 -1.268 3.481) 8.451 33.738 ( -4.155 0.552 -4.020) 5.808 33.783 ( -3.075 -1.237 0.569) 3.363 33.977 ( -5.918 0.878 4.645) 7.574 34.034 ( -6.279 -1.438 6.716) 9.306 34.931 ( -2.826 1.105 -1.038) 3.207 34.980 ( -2.165 -0.957 -3.234) 4.008 35.182 ( 3.555 1.184 -3.528) 5.147 35.231 ( 2.858 -0.813 -3.339) 4.469 35.623 ( 1.486 3.070 2.877) 4.462 35.740 ( 5.545 1.292 -0.737) 5.741 35.766 ( 3.703 -2.277 0.675) 4.399 35.842 ( 5.584 -2.341 0.515) 6.077 36.245 ( 2.450 -0.419 -10.677) 10.963 36.262 ( 2.364 -1.042 -11.787) 12.067 36.511 ( 1.060 0.405 6.278) 6.380 36.521 ( -1.342 -0.198 6.576) 6.714 37.492 ( -1.811 10.879 -22.658) 25.200 37.917 ( -8.926 -0.043 8.491) 12.320 38.286 ( -16.359 -6.419 -11.320) 20.903 38.511 ( -17.974 -8.533 10.533) 22.512 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 10.903 3.436 -7.488) 13.665 1.682 ( 12.120 16.273 -7.323) 21.571 1.874 ( 4.842 -9.365 -4.149) 11.330 2.063 ( 5.487 3.541 -0.110) 6.532 2.234 ( 1.081 -1.164 0.492) 1.663 2.272 ( 1.248 -0.643 2.580) 2.937 2.410 ( 10.670 -2.567 -8.153) 13.671 2.416 ( 9.958 3.797 -1.195) 10.724 2.520 ( 1.458 -5.618 -2.511) 6.324 2.572 ( 4.117 0.096 -1.830) 4.507 2.606 ( -3.323 -1.199 -1.899) 4.011 2.699 ( 1.980 -2.739 -5.320) 6.302 2.831 ( 0.613 0.238 0.792) 1.029 2.936 ( 6.639 -4.812 -4.272) 9.245 2.977 ( -3.674 3.471 -4.797) 6.968 3.088 ( -0.128 1.143 -5.626) 5.742 3.131 ( 1.530 3.037 -3.151) 4.636 3.164 ( 9.796 0.859 -5.300) 11.171 3.185 ( 2.279 2.693 -1.782) 3.952 3.299 ( 2.345 -3.894 -1.915) 4.932 3.377 ( 3.307 5.196 -1.267) 6.288 3.438 ( 6.082 3.057 3.814) 7.803 3.477 ( -4.385 3.430 0.299) 5.575 3.577 ( 2.833 2.914 -2.821) 4.947 3.666 ( -5.385 1.142 -1.323) 5.662 3.804 ( 8.464 5.550 -0.607) 10.139 3.816 ( 2.755 -0.254 -5.973) 6.582 3.871 ( 3.572 2.054 -1.237) 4.302 3.885 ( 0.526 3.513 -5.819) 6.818 3.942 ( 4.898 3.203 6.944) 9.081 4.067 ( 5.997 3.591 -1.274) 7.105 4.132 ( -6.215 -4.280 9.506) 12.137 4.181 ( 6.836 -0.006 3.065) 7.492 4.280 ( 3.390 1.365 -3.143) 4.820 4.342 ( 2.819 0.377 3.804) 4.749 4.437 ( 2.274 3.473 2.498) 4.845 4.447 ( 0.372 -2.044 0.593) 2.160 4.586 ( 0.509 -4.476 4.504) 6.370 4.701 ( 4.225 -0.708 0.457) 4.308 4.728 ( -1.022 0.683 -1.681) 2.082 4.819 ( 0.704 -0.494 -0.163) 0.876 4.903 ( -3.477 -2.244 -3.516) 5.430 4.982 ( -1.447 1.227 -5.780) 6.083 5.064 ( -0.670 1.602 -1.633) 2.384 5.125 ( -4.380 -3.783 -1.633) 6.013 5.155 ( 1.838 0.433 0.097) 1.891 5.219 ( -6.584 1.809 -1.247) 6.941 5.269 ( -2.042 1.823 1.894) 3.329 5.364 ( 1.334 -2.311 3.804) 4.646 5.426 ( 2.330 -1.749 1.934) 3.497 5.494 ( -3.034 3.794 1.649) 5.130 5.577 ( -2.253 0.754 -0.561) 2.441 5.649 ( 1.787 -0.755 6.441) 6.727 5.753 ( 0.845 -2.786 -4.433) 5.303 5.821 ( 2.739 2.517 7.570) 8.434 5.861 ( 0.442 2.737 4.633) 5.399 5.941 ( -3.207 -5.461 5.772) 8.569 6.059 ( -1.465 -2.568 4.523) 5.404 6.083 ( -0.916 -5.003 2.701) 5.759 6.190 ( 2.312 -3.264 2.191) 4.561 6.292 ( -2.666 -5.650 -1.541) 6.435 6.332 ( -3.031 -4.183 1.512) 5.383 6.420 ( -3.481 -4.427 4.599) 7.271 6.503 ( -0.531 -4.667 -1.238) 4.857 6.788 ( -0.132 1.639 -4.105) 4.422 6.812 ( 5.529 0.918 -1.968) 5.940 6.896 ( 0.280 1.887 -2.836) 3.418 6.939 ( -0.747 1.255 -4.581) 4.808 7.057 ( 1.689 1.173 -2.151) 2.976 7.182 ( 3.571 -0.840 2.829) 4.633 7.215 ( 2.434 1.778 -2.165) 3.711 7.290 ( -1.823 1.793 0.847) 2.694 7.348 ( -1.622 -3.037 -1.505) 3.757 7.373 ( 0.577 -2.383 1.670) 2.966 7.516 ( -0.598 4.999 -0.534) 5.063 7.696 ( -3.289 -3.481 0.848) 4.864 7.939 ( -14.029 6.003 2.148) 15.410 8.075 ( -13.646 5.384 0.003) 14.669 8.220 ( -13.088 -4.817 2.079) 14.100 8.415 ( -11.157 -8.400 -0.458) 13.974 8.977 ( 2.349 4.601 -1.486) 5.375 9.026 ( 0.797 3.793 -0.976) 3.997 9.229 ( -0.520 -0.930 3.843) 3.988 9.276 ( 2.167 -3.662 -1.041) 4.380 9.390 ( 3.276 1.094 0.075) 3.455 9.441 ( 4.680 -0.510 2.334) 5.254 9.484 ( 5.564 -3.053 0.936) 6.415 9.529 ( 3.485 -1.266 1.796) 4.120 9.561 ( 4.611 -0.876 0.452) 4.715 9.661 ( 3.745 0.547 -0.919) 3.895 9.705 ( 0.462 -3.422 0.326) 3.468 9.835 ( 1.921 -5.669 0.316) 5.994 9.944 ( -10.840 1.942 -0.587) 11.028 9.977 ( -10.709 0.795 0.462) 10.749 10.043 ( -9.318 3.750 -1.795) 10.204 10.086 ( -2.686 -0.677 -2.792) 3.933 10.176 ( -6.373 -0.391 -2.685) 6.927 10.319 ( -9.695 -1.311 -2.052) 9.996 10.422 ( -5.464 4.706 3.216) 7.897 10.583 ( -6.962 -3.152 -0.580) 7.664 10.664 ( -3.797 5.973 2.433) 7.484 10.753 ( -2.940 1.949 -0.778) 3.612 10.920 ( -3.816 -3.507 -0.330) 5.193 10.970 ( -3.793 -3.320 1.719) 5.326 11.711 ( 6.752 -1.957 0.198) 7.033 11.766 ( 9.966 -2.538 -0.292) 10.288 11.784 ( 5.619 0.707 0.069) 5.664 11.817 ( 5.375 0.889 -0.237) 5.454 12.134 ( 0.526 2.589 -0.611) 2.712 12.214 ( 2.561 4.028 0.703) 4.825 12.243 ( -3.252 2.442 -0.047) 4.067 12.282 ( -1.947 -1.310 -1.926) 3.036 12.400 ( -1.072 -0.790 0.910) 1.613 12.450 ( 0.133 -3.771 0.109) 3.775 12.499 ( -0.021 -1.828 1.724) 2.513 12.529 ( 4.873 -4.802 -0.140) 6.843 12.739 ( 0.994 3.802 -1.373) 4.163 12.811 ( 1.464 4.708 0.164) 4.933 12.930 ( -3.724 -3.581 -0.810) 5.229 12.975 ( -1.791 -2.661 0.339) 3.225 13.406 ( 6.517 8.734 0.065) 10.898 13.461 ( 5.948 8.443 -0.397) 10.336 13.730 ( -1.816 -1.750 0.509) 2.573 13.744 ( -2.233 -0.309 -0.652) 2.347 14.107 ( 7.018 5.278 0.096) 8.781 14.200 ( 4.872 -1.422 0.450) 5.096 14.299 ( 3.444 -2.148 -0.627) 4.107 14.320 ( 1.290 0.200 0.433) 1.375 14.444 ( 3.570 8.414 -1.648) 9.288 14.523 ( -3.824 11.607 1.291) 12.288 14.728 ( -5.042 0.634 -0.333) 5.092 14.826 ( -2.727 -0.395 -0.188) 2.762 15.120 ( 6.421 -0.254 -0.779) 6.474 15.200 ( 5.937 1.702 0.525) 6.198 15.389 ( 3.133 -5.807 0.521) 6.619 15.408 ( 0.971 -6.658 -1.246) 6.842 15.557 ( 3.440 -2.279 -1.337) 4.338 15.573 ( -2.404 -2.307 -1.033) 3.489 15.630 ( 0.692 -0.640 0.577) 1.105 15.660 ( 5.098 -0.904 0.982) 5.270 15.937 ( 5.788 0.713 -1.470) 6.014 15.990 ( 6.573 -1.685 0.067) 6.786 16.115 ( -1.629 2.210 2.453) 3.682 16.177 ( 2.916 -0.151 4.554) 5.410 16.649 ( 0.229 0.165 0.202) 0.347 16.685 ( 1.142 -1.595 1.132) 2.265 16.747 ( 1.105 1.647 0.159) 1.989 16.804 ( -3.021 -0.834 1.444) 3.450 17.361 ( 1.052 0.783 -0.610) 1.447 17.391 ( 1.786 -0.422 -1.813) 2.580 17.416 ( 0.442 0.082 0.486) 0.662 17.421 ( -0.066 -0.150 1.214) 1.225 19.900 ( 5.770 0.725 -1.441) 5.992 19.992 ( 4.919 -2.745 1.649) 5.870 20.143 ( 2.776 2.026 0.636) 3.495 20.243 ( 3.900 -1.989 1.890) 4.768 20.457 ( -4.903 1.150 3.009) 5.867 20.495 ( -4.167 -0.323 -0.043) 4.180 20.739 ( -2.075 0.566 1.387) 2.559 20.779 ( -1.525 -1.044 -0.193) 1.858 22.212 ( 8.577 1.997 -1.314) 8.904 22.218 ( 8.699 2.146 -0.606) 8.981 22.384 ( 5.892 -1.442 -0.370) 6.077 22.391 ( 7.349 -1.374 0.492) 7.493 22.804 ( -8.024 0.971 0.605) 8.105 22.916 ( -8.866 -2.183 -0.578) 9.149 23.022 ( -10.022 -1.673 0.756) 10.189 23.075 ( -10.370 -1.999 -0.490) 10.572 27.104 ( 19.979 3.038 -1.778) 20.287 27.227 ( 21.821 4.150 1.949) 22.297 27.302 ( 23.450 -0.937 -2.968) 23.656 27.760 ( 21.036 -16.270 12.843) 29.532 28.380 ( -21.563 5.764 -0.444) 22.325 28.460 ( -19.791 6.962 1.170) 21.012 28.619 ( -21.210 -4.925 -1.883) 21.856 28.834 ( -16.710 -8.656 3.114) 19.075 30.370 ( 10.084 6.636 -1.042) 12.116 30.552 ( 6.080 9.777 0.589) 11.528 30.612 ( 4.818 -2.716 -0.945) 5.611 30.760 ( 0.316 -0.646 1.215) 1.412 31.006 ( 7.329 4.116 0.214) 8.408 31.174 ( 7.291 3.366 0.059) 8.031 31.283 ( 4.184 -8.253 3.486) 9.888 31.363 ( 7.072 -4.022 0.477) 8.149 31.566 ( -6.015 2.665 -0.097) 6.580 31.688 ( -11.122 2.916 1.168) 11.557 31.819 ( -4.545 -1.417 -0.867) 4.839 31.870 ( -4.035 -1.654 0.542) 4.395 32.089 ( 1.153 6.783 -0.046) 6.880 32.131 ( 2.617 14.624 11.940) 19.060 32.354 ( 5.766 -4.527 5.307) 9.050 32.717 ( -0.360 -8.653 14.459) 16.854 33.098 ( 7.844 1.303 -3.827) 8.824 33.152 ( -2.185 -0.625 1.571) 2.763 33.235 ( 11.929 0.294 1.443) 12.019 33.280 ( 12.399 -1.034 2.662) 12.724 33.627 ( -3.647 2.276 -2.843) 5.154 33.759 ( -4.101 -3.198 4.635) 6.967 33.931 ( -8.052 1.077 5.597) 9.865 33.983 ( -9.254 -1.181 5.244) 10.702 34.903 ( 0.013 0.872 0.800) 1.183 34.943 ( 0.706 -0.796 -0.858) 1.367 35.178 ( 2.466 0.859 -5.247) 5.861 35.219 ( 2.104 -0.803 -5.452) 5.899 35.696 ( 2.314 3.083 4.561) 5.972 35.814 ( 4.255 2.012 -0.039) 4.707 35.839 ( 3.666 -2.764 1.784) 4.926 35.933 ( 4.523 -2.523 1.441) 5.376 36.168 ( 2.719 -0.639 -9.671) 10.066 36.195 ( 5.770 -0.993 -11.782) 13.157 36.454 ( -6.466 1.773 -6.437) 9.295 36.517 ( -5.027 -1.092 -3.480) 6.211 37.347 ( 9.379 8.454 -10.556) 16.458 37.783 ( -2.416 -9.370 -7.311) 12.128 38.021 ( -12.461 5.721 1.664) 13.812 38.322 ( -19.575 -6.268 7.591) 21.911 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 11.787 4.035 -0.537) 12.470 1.845 ( 12.744 9.455 -0.169) 15.869 1.903 ( -4.160 2.619 -0.273) 4.923 2.022 ( -4.107 -2.892 -3.851) 6.329 2.193 ( -2.448 -0.024 -2.247) 3.322 2.257 ( -1.781 -7.107 -5.251) 9.014 2.351 ( 0.618 -5.994 -1.586) 6.231 2.427 ( 3.453 -1.444 -3.728) 5.283 2.531 ( 7.470 2.819 -1.113) 8.061 2.656 ( -1.158 6.069 0.100) 6.179 2.676 ( 2.115 3.893 1.188) 4.587 2.800 ( 1.989 -2.611 -5.621) 6.509 2.824 ( -0.952 -3.657 -3.426) 5.100 2.875 ( 3.665 -4.919 -0.939) 6.206 2.918 ( 4.457 2.670 -7.097) 8.796 3.000 ( -3.141 1.830 0.146) 3.638 3.122 ( -1.347 -1.658 -0.845) 2.297 3.197 ( 2.030 1.123 -0.536) 2.381 3.271 ( 4.720 -1.198 -3.872) 6.222 3.342 ( -1.505 5.341 0.626) 5.584 3.420 ( 4.915 -1.569 -1.490) 5.370 3.445 ( -3.959 -1.653 1.847) 4.671 3.512 ( 6.520 1.963 -1.538) 6.981 3.582 ( -5.792 1.639 -2.322) 6.452 3.657 ( 8.863 1.310 1.848) 9.147 3.721 ( -1.350 3.703 -3.637) 5.364 3.809 ( -0.945 2.961 -7.125) 7.773 3.841 ( -1.199 1.748 -3.711) 4.274 3.952 ( 5.804 7.024 0.676) 9.137 4.017 ( -1.432 4.201 -0.212) 4.444 4.062 ( -7.993 0.379 6.189) 10.117 4.152 ( 1.969 4.459 -1.318) 5.049 4.252 ( 0.494 2.606 2.761) 3.829 4.315 ( 4.938 0.324 -0.645) 4.990 4.420 ( 2.537 2.771 1.881) 4.202 4.481 ( 1.353 1.383 0.803) 2.095 4.537 ( 2.560 -2.557 5.551) 6.626 4.622 ( -1.631 -3.636 0.773) 4.059 4.739 ( 1.354 2.254 -0.063) 2.630 4.751 ( 1.590 -2.145 -0.485) 2.714 4.805 ( -0.982 -1.142 -2.536) 2.949 4.830 ( -1.420 0.175 0.432) 1.494 4.909 ( 1.555 -0.090 -3.531) 3.859 4.961 ( -2.546 -2.570 -5.386) 6.488 5.045 ( -3.101 2.064 -2.131) 4.292 5.094 ( -4.508 -0.650 -2.225) 5.069 5.212 ( 3.384 2.342 2.713) 4.929 5.283 ( -3.096 0.405 2.738) 4.152 5.407 ( 0.115 -0.890 3.703) 3.810 5.444 ( -1.163 -1.722 -0.350) 2.107 5.473 ( 0.158 -3.027 1.408) 3.342 5.619 ( 1.393 -1.201 0.516) 1.910 5.677 ( -4.825 -0.278 4.409) 6.542 5.736 ( 2.518 0.398 0.175) 2.556 5.859 ( -0.337 2.046 2.226) 3.042 5.939 ( -0.906 -1.762 -0.981) 2.211 6.000 ( 2.383 -0.007 8.376) 8.709 6.065 ( -5.046 -1.855 5.677) 7.818 6.172 ( 6.126 -1.788 3.064) 7.079 6.229 ( -1.215 -6.590 2.553) 7.171 6.282 ( -2.657 -2.503 0.705) 3.718 6.304 ( 1.895 -6.281 0.895) 6.621 6.406 ( -0.819 -5.282 2.285) 5.813 6.471 ( -2.054 -3.824 -1.325) 4.538 6.740 ( 0.928 1.279 -3.121) 3.498 6.826 ( 0.034 -2.217 -5.089) 5.551 6.829 ( -1.525 -0.524 -5.486) 5.718 6.875 ( -1.105 -1.674 -5.379) 5.741 7.082 ( 5.657 3.642 -0.039) 6.728 7.218 ( -3.159 1.802 -1.223) 3.837 7.245 ( 3.480 3.867 1.070) 5.311 7.285 ( -2.246 1.811 2.142) 3.593 7.343 ( 0.419 -1.119 2.759) 3.007 7.411 ( 1.198 0.851 -1.109) 1.841 7.506 ( 0.640 -0.224 1.794) 1.917 7.619 ( -6.497 -2.896 -0.518) 7.132 7.861 ( -2.087 5.540 3.768) 7.018 7.934 ( -3.615 6.464 -0.178) 7.409 8.155 ( -0.631 -6.136 4.074) 7.393 8.279 ( -5.133 -8.520 -0.797) 9.978 8.988 ( 1.260 5.871 -1.130) 6.110 9.020 ( 0.416 5.081 -1.937) 5.453 9.250 ( -1.084 -1.845 2.251) 3.106 9.285 ( 0.833 -3.342 -1.226) 3.656 9.466 ( 4.597 1.149 2.093) 5.180 9.523 ( 3.362 -3.204 0.715) 4.699 9.550 ( -0.557 -3.962 1.579) 4.301 9.586 ( 0.807 -2.117 0.511) 2.323 9.648 ( 6.906 1.044 -0.798) 7.030 9.697 ( 0.181 0.131 -0.441) 0.495 9.712 ( 0.302 -0.341 -0.693) 0.829 9.754 ( -7.318 -0.648 0.206) 7.349 9.815 ( -5.646 0.608 1.526) 5.880 9.834 ( -6.828 1.098 1.254) 7.028 9.971 ( 0.193 -1.823 0.129) 1.838 10.019 ( -2.151 -2.392 -1.653) 3.617 10.125 ( 3.475 1.148 -3.434) 5.019 10.179 ( -5.639 0.891 -1.577) 5.923 10.387 ( -1.692 0.675 1.499) 2.360 10.466 ( -5.262 -4.278 -2.113) 7.103 10.646 ( -2.376 8.091 2.671) 8.846 10.704 ( -0.699 5.177 -1.817) 5.531 10.908 ( 0.319 -4.239 1.587) 4.537 10.943 ( -1.616 -3.438 0.581) 3.843 11.787 ( 2.613 0.310 0.368) 2.657 11.821 ( 0.602 1.115 -0.493) 1.360 11.876 ( 3.571 -1.982 -0.010) 4.084 11.889 ( 3.280 -1.605 0.270) 3.661 12.145 ( 0.708 2.179 0.824) 2.435 12.209 ( -0.793 1.453 -1.416) 2.179 12.221 ( -1.243 2.802 -0.061) 3.066 12.242 ( -0.878 1.235 -0.812) 1.719 12.400 ( -0.325 -1.055 1.026) 1.507 12.442 ( -0.142 -3.543 -1.365) 3.800 12.535 ( 0.474 -4.869 2.213) 5.369 12.584 ( 2.685 -6.730 -1.619) 7.424 12.756 ( 2.410 3.449 0.657) 4.259 12.828 ( 0.644 3.566 -0.813) 3.714 12.872 ( -1.976 -2.326 0.509) 3.094 12.932 ( -3.215 -2.293 -0.477) 3.978 13.514 ( 6.491 8.440 0.003) 10.647 13.541 ( 3.702 7.873 -0.147) 8.702 13.677 ( -4.284 4.940 0.232) 6.543 13.685 ( -3.097 5.833 -0.824) 6.655 14.206 ( 4.192 1.713 0.875) 4.613 14.263 ( 3.125 -0.137 -0.779) 3.223 14.319 ( -1.328 3.540 0.591) 3.827 14.349 ( 0.509 2.267 -0.679) 2.420 14.515 ( 4.377 2.787 0.084) 5.190 14.528 ( 7.485 2.471 -0.146) 7.884 14.625 ( -7.060 1.108 0.367) 7.156 14.727 ( -8.180 -0.881 -1.262) 8.324 15.205 ( 5.933 -3.462 0.023) 6.869 15.286 ( 4.349 -1.981 0.266) 4.786 15.338 ( -5.500 -6.806 -1.262) 8.841 15.370 ( -4.654 -5.489 0.287) 7.202 15.577 ( 3.114 -1.271 -1.007) 3.511 15.594 ( 0.825 -1.527 -0.561) 1.824 15.658 ( 2.681 1.125 0.098) 2.909 15.699 ( -0.503 -0.596 -0.273) 0.826 16.024 ( 4.729 1.193 0.290) 4.886 16.065 ( 1.197 -0.004 0.354) 1.249 16.145 ( 4.083 1.049 0.952) 4.322 16.216 ( -2.588 -1.233 1.707) 3.337 16.661 ( 0.856 0.555 1.051) 1.465 16.709 ( -0.743 -1.587 2.005) 2.663 16.738 ( -3.211 0.507 -0.386) 3.274 16.761 ( 0.486 -0.031 -1.303) 1.391 17.366 ( 0.301 0.609 -0.483) 0.834 17.383 ( 0.045 -0.077 -1.513) 1.515 17.433 ( -0.079 0.034 1.084) 1.087 17.439 ( 1.342 -0.229 0.204) 1.377 19.988 ( 6.355 1.041 -0.488) 6.459 20.059 ( 0.964 -1.323 -0.637) 1.756 20.174 ( 1.571 1.004 1.017) 2.124 20.254 ( -2.994 -1.808 -0.432) 3.524 20.435 ( -2.993 0.848 3.436) 4.635 20.458 ( -1.158 -0.039 0.873) 1.451 20.731 ( -0.960 0.364 1.611) 1.911 20.764 ( 0.086 -0.930 -0.356) 1.000 22.326 ( 6.113 2.920 -0.711) 6.812 22.339 ( 3.994 3.069 0.256) 5.043 22.469 ( 6.519 -2.835 0.102) 7.110 22.507 ( 5.702 -3.142 0.680) 6.546 22.708 ( -4.749 0.513 -0.012) 4.777 22.761 ( -8.121 -0.114 -1.618) 8.282 22.914 ( -4.885 -1.563 1.409) 5.319 22.937 ( -5.436 -1.488 -0.169) 5.638 27.391 ( 17.429 4.425 -0.615) 17.993 27.522 ( 7.374 7.746 0.968) 10.738 27.625 ( 22.225 -4.882 -1.345) 22.794 27.951 ( -9.639 -8.990 -0.338) 13.185 28.102 ( -10.679 4.496 -0.006) 11.586 28.193 ( -15.547 6.967 0.730) 17.052 28.439 ( 2.429 -10.137 5.998) 12.027 28.638 ( -12.524 -11.071 2.672) 16.927 30.488 ( 5.372 4.805 0.293) 7.213 30.574 ( -0.415 3.333 -2.102) 3.963 30.701 ( 4.386 1.405 1.146) 4.746 30.759 ( -1.573 0.212 0.277) 1.611 31.147 ( 9.131 2.565 1.710) 9.637 31.261 ( 4.656 0.150 -0.785) 4.724 31.307 ( -3.292 -0.407 0.067) 3.317 31.379 ( -7.723 -1.144 -1.867) 8.027 31.524 ( 4.094 -1.326 1.248) 4.481 31.602 ( -3.516 -3.865 1.689) 5.491 31.784 ( 0.636 0.014 0.633) 0.897 31.816 ( -4.478 -0.810 1.845) 4.910 32.157 ( 4.413 9.893 3.879) 11.506 32.232 ( -4.349 13.521 8.209) 16.405 32.577 ( 12.016 -5.251 7.918) 15.318 32.794 ( -9.291 -7.919 10.050) 15.813 33.086 ( -1.212 1.155 -3.896) 4.240 33.120 ( 0.836 -0.259 -4.716) 4.796 33.392 ( 5.955 0.125 0.011) 5.957 33.427 ( 3.976 -1.016 -1.489) 4.365 33.639 ( 6.700 2.012 2.757) 7.519 33.749 ( -3.354 -2.604 3.719) 5.644 33.858 ( -6.955 0.416 3.574) 7.830 33.877 ( -8.306 -0.512 2.473) 8.681 34.947 ( 1.067 0.594 4.547) 4.708 34.978 ( 1.674 -0.738 2.962) 3.482 35.143 ( 1.210 0.542 -5.883) 6.030 35.172 ( 0.588 -0.636 -6.557) 6.614 35.792 ( 2.620 2.493 5.240) 6.367 35.865 ( 1.557 2.487 0.874) 3.062 35.914 ( 2.787 -2.590 2.468) 4.535 36.011 ( 2.621 -2.111 2.659) 4.289 36.106 ( 2.423 -0.756 -9.413) 9.749 36.161 ( 5.659 -1.419 -10.197) 11.748 36.246 ( -6.019 2.135 -9.212) 11.210 36.314 ( -7.368 -1.203 -10.852) 13.172 37.504 ( 16.574 6.480 -0.885) 17.818 37.728 ( -10.511 1.079 2.368) 10.828 37.918 ( 7.307 -2.295 -2.981) 8.218 38.082 ( -19.490 -5.149 4.088) 20.569 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -16.299 7.107 -0.715) 17.795 1.814 ( -9.860 6.862 0.998) 12.054 1.917 ( 8.288 6.624 -0.901) 10.648 1.979 ( 0.747 -4.878 -1.318) 5.108 2.152 ( -1.970 1.114 2.148) 3.120 2.257 ( -1.088 -4.315 -4.608) 6.406 2.355 ( 2.140 -5.635 3.765) 7.107 2.411 ( -5.325 -5.733 -6.551) 10.205 2.524 ( -8.031 4.654 -0.870) 9.322 2.637 ( -5.804 0.184 -1.522) 6.003 2.657 ( 2.321 1.680 -0.034) 2.865 2.684 ( 2.600 -5.174 3.483) 6.757 2.811 ( -2.559 1.539 -1.309) 3.260 2.898 ( 2.883 7.437 -3.259) 8.617 2.934 ( -3.501 -2.101 -5.037) 6.484 3.027 ( 10.459 -2.194 3.103) 11.128 3.139 ( -1.546 -0.884 3.550) 3.972 3.186 ( -2.296 0.381 -6.104) 6.533 3.231 ( -5.161 -2.036 -0.808) 5.606 3.319 ( 5.064 -4.466 0.533) 6.773 3.369 ( -8.502 -1.095 1.548) 8.711 3.454 ( -7.267 -1.709 2.531) 7.883 3.498 ( 2.463 2.123 0.094) 3.253 3.570 ( -2.451 7.566 3.529) 8.701 3.657 ( 0.353 4.730 -3.269) 5.761 3.717 ( -7.016 5.369 -4.401) 9.870 3.737 ( 0.946 1.741 -1.407) 2.430 3.811 ( 3.905 0.752 0.083) 3.978 3.952 ( -9.596 4.038 0.713) 10.435 4.002 ( -1.018 4.614 2.287) 5.249 4.048 ( 1.225 4.735 3.659) 6.108 4.217 ( 10.857 2.544 -3.551) 11.702 4.265 ( -4.640 1.083 1.303) 4.939 4.329 ( 0.769 0.796 -1.779) 2.096 4.441 ( -3.582 4.467 -0.798) 5.781 4.486 ( 1.176 4.288 0.406) 4.464 4.581 ( -3.185 -2.352 1.110) 4.112 4.638 ( 4.143 -4.641 0.105) 6.222 4.714 ( -4.257 0.241 1.047) 4.390 4.761 ( -3.398 0.214 0.097) 3.406 4.782 ( 2.602 0.731 -0.905) 2.850 4.823 ( 1.217 -3.761 -1.098) 4.103 4.864 ( -2.753 -3.935 0.693) 4.853 4.949 ( 1.398 -1.269 -2.395) 3.050 5.021 ( -0.204 0.743 1.044) 1.297 5.045 ( 2.616 2.253 0.619) 3.507 5.255 ( -0.788 -0.120 -0.379) 0.882 5.315 ( 5.781 0.875 0.366) 5.858 5.417 ( -0.888 -0.967 0.159) 1.323 5.453 ( 2.031 2.864 -0.263) 3.521 5.529 ( 0.979 -5.372 5.664) 7.868 5.565 ( -0.545 -6.319 -4.408) 7.724 5.719 ( 0.738 1.895 2.778) 3.443 5.768 ( 2.404 2.078 -2.289) 3.916 5.873 ( -2.048 -2.927 1.515) 3.881 5.911 ( 0.625 2.180 0.380) 2.299 6.012 ( -7.526 1.638 6.206) 9.891 6.135 ( 5.223 -1.020 0.913) 5.400 6.175 ( -4.754 0.592 0.255) 4.798 6.259 ( -1.103 -8.511 2.813) 9.031 6.286 ( 2.206 -4.733 -0.696) 5.268 6.347 ( 2.184 -7.793 -1.454) 8.222 6.430 ( 0.352 -3.402 -0.411) 3.445 6.483 ( 7.498 -3.933 -0.709) 8.496 6.742 ( -1.386 -0.272 -3.528) 3.801 6.752 ( 2.565 0.236 -0.244) 2.587 6.780 ( -2.493 -1.141 -0.415) 2.773 6.813 ( 0.374 -0.863 -0.983) 1.360 7.094 ( -8.013 3.755 -0.774) 8.883 7.169 ( -1.282 3.480 2.707) 4.591 7.258 ( -1.447 2.720 -0.195) 3.087 7.309 ( 4.042 0.426 -0.200) 4.069 7.381 ( 1.793 0.777 1.538) 2.487 7.413 ( 0.506 0.489 -3.142) 3.220 7.517 ( -4.409 -1.003 0.965) 4.623 7.590 ( 5.131 -2.575 2.032) 6.090 7.903 ( 3.561 4.802 1.324) 6.123 7.945 ( 5.884 6.612 -2.197) 9.119 8.220 ( 1.838 -8.186 -0.106) 8.390 8.253 ( 5.579 -6.622 0.056) 8.659 8.992 ( -0.420 6.155 -0.843) 6.227 9.001 ( 0.603 5.879 -0.912) 5.980 9.249 ( -2.127 -1.868 2.129) 3.542 9.282 ( 0.379 -2.914 -0.857) 3.061 9.511 ( -4.537 -1.442 -0.340) 4.773 9.518 ( -3.962 -1.864 0.300) 4.388 9.551 ( -0.891 -3.132 2.015) 3.829 9.577 ( 1.344 -1.682 0.065) 2.154 9.618 ( -6.727 0.135 1.004) 6.803 9.690 ( -2.284 0.779 0.959) 2.597 9.698 ( -0.383 -0.822 0.028) 0.907 9.763 ( 6.156 -1.595 -0.557) 6.384 9.841 ( 7.352 2.678 0.085) 7.825 9.870 ( 8.416 1.618 -1.487) 8.698 9.979 ( 0.916 -3.707 1.792) 4.218 10.002 ( 1.721 -3.177 -2.506) 4.397 10.079 ( -4.873 3.024 0.097) 5.736 10.184 ( 6.354 0.454 -1.951) 6.662 10.402 ( 0.858 -2.587 -0.250) 2.737 10.438 ( 5.575 -2.646 0.557) 6.196 10.649 ( -0.817 7.107 2.443) 7.560 10.707 ( 3.704 7.097 -1.915) 8.232 10.913 ( -1.565 -4.139 0.841) 4.504 10.956 ( 3.013 -3.551 -0.364) 4.671 11.797 ( -2.635 0.668 -0.572) 2.777 11.808 ( -0.691 1.127 0.685) 1.489 11.876 ( -4.360 -2.129 0.024) 4.852 11.894 ( -2.509 -1.896 -0.148) 3.148 12.165 ( -1.103 1.182 -0.255) 1.636 12.180 ( 1.112 1.984 0.118) 2.277 12.216 ( -0.241 2.087 0.617) 2.189 12.240 ( 1.796 2.599 -0.548) 3.207 12.409 ( -0.265 -2.009 1.148) 2.329 12.423 ( -0.202 -2.507 -0.758) 2.627 12.543 ( -2.062 -6.158 1.789) 6.736 12.581 ( -0.179 -5.983 -1.699) 6.222 12.774 ( -3.850 3.498 -0.793) 5.262 12.810 ( 1.542 3.666 0.549) 4.014 12.892 ( 0.414 -2.394 -1.203) 2.711 12.919 ( 4.455 -2.330 0.818) 5.094 13.519 ( -5.675 8.288 -0.399) 10.053 13.538 ( -4.492 8.029 0.138) 9.202 13.670 ( 3.545 5.878 0.538) 6.886 13.684 ( 3.731 4.987 -0.442) 6.244 14.230 ( -4.879 1.418 -1.265) 5.236 14.238 ( -2.235 0.693 1.442) 2.748 14.333 ( 0.628 3.202 0.473) 3.298 14.338 ( 0.369 2.918 -0.694) 3.022 14.480 ( -7.815 2.267 1.530) 8.280 14.571 ( -4.846 1.389 -2.199) 5.500 14.640 ( 6.848 1.871 -1.063) 7.178 14.695 ( 8.694 -0.526 1.562) 8.848 15.214 ( -6.964 -3.706 -0.800) 7.930 15.295 ( -2.861 -2.754 -0.654) 4.025 15.307 ( 4.229 -6.697 1.475) 8.057 15.377 ( 5.601 -4.552 -0.294) 7.223 15.564 ( -3.284 -0.816 0.105) 3.385 15.594 ( -0.906 -2.406 -0.609) 2.642 15.661 ( -2.810 0.826 -0.114) 2.931 15.694 ( 0.770 -0.337 0.123) 0.849 16.035 ( -4.521 1.439 -0.543) 4.776 16.067 ( 0.324 0.687 0.114) 0.768 16.155 ( -5.022 0.474 0.015) 5.045 16.229 ( 4.107 -1.922 0.600) 4.574 16.682 ( -1.615 0.891 -0.518) 1.915 16.703 ( 0.232 -0.426 1.417) 1.498 16.724 ( 1.792 0.288 1.707) 2.492 16.767 ( 1.822 -1.533 -1.761) 2.962 17.361 ( -0.765 0.392 0.482) 0.986 17.365 ( -0.731 0.178 -0.469) 0.887 17.438 ( -0.365 0.224 0.269) 0.506 17.452 ( 0.745 -0.343 -0.739) 1.104 19.993 ( -6.142 1.482 -0.825) 6.372 20.056 ( 1.194 -0.615 -0.403) 1.403 20.194 ( -1.845 -0.180 -0.885) 2.054 20.241 ( 3.882 -1.716 0.770) 4.314 20.428 ( -2.516 1.252 3.453) 4.452 20.464 ( 0.218 -0.221 1.052) 1.097 20.748 ( 1.278 0.159 0.898) 1.570 20.771 ( 2.094 -0.715 -1.703) 2.792 22.317 ( -5.627 3.183 0.083) 6.466 22.346 ( -3.469 3.106 -0.431) 4.676 22.478 ( -7.755 -3.532 -0.537) 8.538 22.516 ( -5.311 -3.674 -0.102) 6.459 22.714 ( 6.256 1.000 -0.603) 6.364 22.738 ( 8.206 1.000 0.362) 8.275 22.919 ( 3.831 -1.416 1.185) 4.253 22.936 ( 4.927 -2.352 -0.259) 5.466 27.389 ( -18.319 4.639 -0.357) 18.901 27.527 ( -4.705 7.485 0.450) 8.853 27.621 ( -24.991 -4.958 -0.967) 25.496 27.926 ( 12.140 -8.246 1.902) 14.799 28.105 ( 9.006 5.975 -0.200) 10.810 28.198 ( 16.854 5.950 0.101) 17.874 28.520 ( -2.591 -12.263 -0.947) 12.570 28.642 ( 13.079 -11.213 2.351) 17.387 30.503 ( -6.168 4.310 -0.993) 7.590 30.539 ( -0.252 3.998 1.209) 4.184 30.715 ( -4.103 1.183 -0.249) 4.277 30.757 ( 1.657 -0.094 0.407) 1.709 31.180 ( -9.550 2.054 -1.249) 9.848 31.238 ( -7.081 2.066 1.239) 7.479 31.305 ( 6.697 -2.357 1.089) 7.182 31.350 ( 5.635 -1.095 -0.032) 5.741 31.543 ( -3.638 -1.784 -0.351) 4.068 31.624 ( 6.066 -4.127 -0.566) 7.359 31.779 ( -1.393 0.347 1.223) 1.886 31.839 ( 4.484 -1.311 -0.531) 4.702 32.182 ( -7.302 12.172 2.902) 14.488 32.313 ( 7.936 12.906 2.859) 15.418 32.652 ( -13.892 -4.003 1.671) 14.554 32.869 ( 13.709 -6.500 4.019) 15.695 33.040 ( -4.714 -0.006 -1.414) 4.922 33.055 ( -2.457 -0.598 0.754) 2.639 33.413 ( -1.751 -0.154 -0.787) 1.926 33.418 ( -2.200 -0.478 -2.195) 3.144 33.673 ( -7.991 1.617 0.012) 8.153 33.769 ( 3.831 -2.355 3.148) 5.490 33.889 ( 8.799 -0.205 1.270) 8.893 33.892 ( 7.319 -0.241 0.798) 7.367 35.015 ( -0.467 0.374 5.830) 5.860 35.041 ( 0.085 -0.712 4.896) 4.948 35.080 ( -0.205 0.191 -6.927) 6.933 35.090 ( -1.013 -0.205 -6.856) 6.934 35.856 ( -1.408 2.007 0.637) 2.533 35.891 ( 2.126 2.322 -0.142) 3.152 35.975 ( 0.288 -2.299 2.966) 3.764 36.002 ( -2.925 -1.443 -6.344) 7.133 36.089 ( 1.645 0.703 4.620) 4.955 36.097 ( -2.627 -0.631 -5.482) 6.112 36.121 ( -2.772 -0.478 -5.834) 6.476 36.160 ( 3.950 -1.061 -2.577) 4.834 37.487 ( -19.073 5.448 0.935) 19.858 37.729 ( -0.441 -2.408 1.820) 3.051 37.876 ( 0.394 2.950 1.459) 3.314 38.139 ( 19.517 -5.785 -1.417) 20.405 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -20.904 6.864 4.340) 22.426 1.589 ( -17.718 19.309 1.036) 26.226 1.838 ( -10.947 -9.404 0.545) 14.442 2.014 ( -9.949 0.116 1.975) 10.144 2.152 ( -3.714 -1.275 4.450) 5.935 2.216 ( 1.319 -2.043 3.450) 4.221 2.281 ( -3.542 -2.871 1.070) 4.683 2.355 ( -1.630 -0.468 5.574) 5.826 2.472 ( -3.628 4.408 0.820) 5.768 2.561 ( -5.202 7.007 2.752) 9.150 2.623 ( -7.807 3.098 -5.375) 9.973 2.672 ( -3.811 -5.029 -2.291) 6.713 2.861 ( 4.368 0.151 6.206) 7.591 2.885 ( 4.103 -1.591 0.969) 4.506 2.911 ( 2.968 -3.900 -2.768) 5.628 3.004 ( -6.293 -3.629 -5.892) 9.353 3.086 ( 3.410 5.193 1.116) 6.312 3.108 ( -8.612 -0.804 -0.894) 8.696 3.252 ( -1.180 -3.876 -1.882) 4.467 3.285 ( -3.867 -3.529 -0.086) 5.236 3.349 ( -4.695 8.317 1.030) 9.606 3.459 ( 2.354 1.264 3.094) 4.088 3.506 ( -0.431 -0.597 3.628) 3.702 3.546 ( 0.322 -3.205 -0.194) 3.227 3.610 ( -2.957 1.343 -0.744) 3.332 3.639 ( -7.418 12.454 8.911) 17.015 3.729 ( -3.261 -1.783 1.663) 4.072 3.820 ( -3.087 5.306 1.155) 6.247 3.866 ( 0.328 -0.549 -0.020) 0.640 4.012 ( -1.497 -0.485 -0.523) 1.658 4.080 ( -1.660 6.028 0.004) 6.253 4.147 ( -8.156 4.227 3.247) 9.744 4.252 ( -5.936 -0.669 -2.380) 6.430 4.348 ( 3.964 -3.242 -4.895) 7.085 4.384 ( 0.173 5.003 -3.240) 5.963 4.475 ( -1.958 0.274 -1.015) 2.223 4.501 ( -4.277 0.260 -0.674) 4.338 4.636 ( -5.642 1.133 3.181) 6.575 4.679 ( -0.670 1.571 -1.209) 2.093 4.700 ( -3.394 -5.896 -1.493) 6.965 4.841 ( 2.643 -0.276 3.832) 4.663 4.848 ( 3.112 -2.042 -0.259) 3.731 4.887 ( 2.175 -2.122 -1.493) 3.386 4.946 ( 1.966 -0.046 6.271) 6.572 5.039 ( 0.551 0.293 1.915) 2.014 5.178 ( 7.695 -0.731 3.405) 8.447 5.235 ( 0.880 -0.910 -4.175) 4.362 5.340 ( -0.618 -0.973 -2.668) 2.907 5.440 ( 3.907 -0.800 -2.064) 4.491 5.479 ( 0.537 0.368 0.399) 0.763 5.517 ( 2.943 -2.721 -3.891) 5.586 5.595 ( -1.439 0.221 0.750) 1.638 5.700 ( -2.608 1.247 -0.153) 2.895 5.753 ( -0.926 0.833 -2.997) 3.245 5.861 ( -0.858 4.338 -0.192) 4.426 5.957 ( 2.116 -2.636 1.948) 3.901 5.994 ( 0.925 1.618 -0.265) 1.882 6.118 ( -0.964 0.828 -0.320) 1.311 6.150 ( -1.776 -8.957 -3.330) 9.720 6.261 ( 1.638 -0.643 -3.412) 3.839 6.306 ( 3.072 -4.769 -1.744) 5.935 6.348 ( 0.771 -7.044 -1.105) 7.172 6.470 ( 2.187 -2.603 1.749) 3.823 6.550 ( 5.021 -4.038 -5.755) 8.639 6.708 ( -1.186 1.631 1.290) 2.393 6.746 ( -3.204 -0.282 3.031) 4.419 6.819 ( 1.447 1.397 3.282) 3.849 6.852 ( 2.430 0.403 3.617) 4.376 7.018 ( -1.875 3.050 1.289) 3.805 7.144 ( -4.738 2.542 4.551) 7.044 7.213 ( -2.125 -1.439 -0.747) 2.673 7.336 ( -5.341 -1.306 -0.740) 5.549 7.342 ( 1.356 0.307 -2.660) 3.001 7.416 ( 1.270 -1.405 -2.457) 3.102 7.508 ( 1.242 5.209 0.328) 5.365 7.687 ( 3.379 -3.491 1.446) 5.070 8.006 ( 12.513 4.889 -3.365) 13.849 8.080 ( 13.511 4.931 -0.321) 14.386 8.282 ( 11.421 -5.976 -3.485) 13.353 8.400 ( 10.967 -7.400 1.167) 13.281 8.966 ( -1.197 5.585 -0.607) 5.744 9.014 ( 0.943 5.046 0.164) 5.136 9.240 ( -2.301 -2.129 2.376) 3.934 9.273 ( -0.559 -2.492 -0.447) 2.592 9.423 ( -3.531 1.404 -2.541) 4.571 9.460 ( -4.145 -1.149 0.548) 4.336 9.497 ( -6.085 -2.536 -0.070) 6.592 9.535 ( -4.639 -0.620 0.887) 4.763 9.579 ( -3.139 -2.865 -0.689) 4.305 9.638 ( -4.477 0.247 1.660) 4.781 9.720 ( 2.496 -2.503 -1.523) 3.849 9.830 ( -1.288 -3.752 1.134) 4.126 9.943 ( -0.280 4.474 -1.123) 4.621 9.999 ( 10.116 0.364 0.496) 10.135 10.006 ( 7.150 -1.573 -0.487) 7.337 10.061 ( 9.224 -0.707 0.282) 9.256 10.128 ( 9.517 1.045 0.956) 9.621 10.292 ( 9.587 -1.820 0.221) 9.761 10.461 ( 6.140 1.729 -0.444) 6.394 10.565 ( 8.523 -2.690 0.961) 8.989 10.682 ( 2.864 5.979 0.772) 6.674 10.763 ( 5.259 4.489 -1.473) 7.070 10.912 ( 1.313 -3.890 0.450) 4.130 11.004 ( 4.255 -3.455 -1.185) 5.608 11.719 ( -6.756 -1.749 -0.554) 7.001 11.765 ( -8.647 -2.285 -0.277) 8.948 11.777 ( -5.986 0.464 0.758) 6.052 11.809 ( -6.739 0.622 0.321) 6.776 12.129 ( -2.508 1.356 -0.091) 2.853 12.211 ( 0.812 2.997 0.686) 3.181 12.240 ( 2.376 3.388 0.728) 4.201 12.263 ( 1.513 0.515 -0.256) 1.619 12.403 ( 0.106 -2.910 -0.012) 2.912 12.445 ( 1.479 -1.165 1.105) 2.183 12.510 ( -3.121 -4.972 -0.320) 5.879 12.554 ( -1.005 -4.252 -1.313) 4.562 12.714 ( -2.891 5.124 0.715) 5.926 12.817 ( -0.493 4.969 -0.390) 5.008 12.920 ( 2.944 -3.757 0.070) 4.773 12.982 ( 2.585 -3.015 -0.254) 3.980 13.414 ( -5.993 8.452 -0.716) 10.385 13.450 ( -6.285 8.916 0.639) 10.927 13.728 ( 1.973 -0.689 0.752) 2.221 13.739 ( 2.488 -1.170 -0.351) 2.772 14.114 ( -7.585 5.821 -0.628) 9.582 14.196 ( -3.972 -1.265 0.878) 4.261 14.293 ( -4.217 -2.909 -0.069) 5.123 14.331 ( -0.477 0.245 -0.629) 0.827 14.408 ( -4.170 7.336 1.499) 8.571 14.547 ( 3.956 10.854 -0.816) 11.581 14.730 ( 4.944 1.833 -0.593) 5.306 14.816 ( 3.766 -1.402 0.724) 4.083 15.104 ( -7.117 -0.124 0.485) 7.135 15.227 ( -4.141 1.640 -1.563) 4.720 15.369 ( -0.940 -7.446 1.590) 7.671 15.404 ( -3.641 -4.082 -0.306) 5.479 15.537 ( -3.815 -2.657 0.423) 4.668 15.558 ( 3.052 -3.599 0.217) 4.724 15.635 ( -0.267 -0.351 -0.023) 0.442 15.673 ( -3.108 -0.602 -0.338) 3.183 15.930 ( -6.862 1.538 -0.449) 7.046 16.003 ( -6.939 -1.730 -0.960) 7.216 16.142 ( 3.305 2.641 -0.064) 4.231 16.257 ( 0.176 -1.744 -2.355) 2.936 16.660 ( -0.891 0.889 -0.779) 1.480 16.689 ( -1.975 0.383 0.705) 2.132 16.762 ( -0.440 -0.992 -0.844) 1.375 16.820 ( 6.166 -2.547 0.168) 6.674 17.352 ( -0.642 0.335 0.105) 0.732 17.356 ( -1.133 0.309 1.176) 1.662 17.427 ( -0.810 0.371 -0.394) 0.974 17.448 ( 0.095 -0.501 -1.156) 1.264 19.888 ( -5.966 1.965 -0.139) 6.283 20.020 ( -3.100 -3.331 -1.070) 4.675 20.162 ( -2.605 2.438 -0.964) 3.696 20.267 ( -1.791 -2.033 -0.223) 2.719 20.457 ( 1.532 1.189 3.304) 3.831 20.492 ( 2.705 -0.155 0.128) 2.713 20.783 ( 2.278 -0.442 -0.262) 2.335 20.785 ( 2.684 -0.437 -2.454) 3.663 22.196 ( -8.779 2.748 -0.092) 9.199 22.220 ( -9.794 2.513 -0.680) 10.134 22.373 ( -5.763 -1.611 0.514) 6.006 22.396 ( -7.917 -1.841 0.059) 8.129 22.831 ( 9.643 0.573 -1.857) 9.837 22.898 ( 9.823 0.077 1.076) 9.882 23.031 ( 8.429 -3.630 0.095) 9.178 23.054 ( 8.995 -2.267 1.136) 9.346 27.080 ( -19.952 2.817 0.515) 20.157 27.226 ( -24.374 -2.892 0.520) 24.551 27.301 ( -20.480 8.082 -0.831) 22.033 27.945 ( -11.149 -22.065 -3.264) 24.936 28.377 ( 21.487 5.178 0.211) 22.103 28.486 ( 19.328 6.800 -1.134) 20.521 28.618 ( 17.307 -6.292 -1.457) 18.473 28.874 ( 15.741 -9.179 -0.598) 18.231 30.361 ( -11.024 6.001 -0.110) 12.552 30.519 ( -4.232 4.898 2.147) 6.820 30.628 ( -6.197 2.177 -0.952) 6.637 30.767 ( -0.405 -1.348 0.155) 1.416 31.024 ( -8.066 5.118 -1.253) 9.635 31.153 ( -6.136 2.496 1.554) 6.804 31.339 ( -1.328 -8.554 -1.386) 8.766 31.364 ( -6.941 -4.590 0.601) 8.343 31.560 ( 5.996 1.951 0.284) 6.312 31.719 ( 8.857 -2.133 -1.477) 9.229 31.811 ( 4.152 0.055 0.106) 4.154 31.885 ( 2.416 -0.736 -1.015) 2.722 32.108 ( -2.348 9.586 -0.550) 9.884 32.396 ( -0.089 3.240 -3.699) 4.918 32.480 ( -1.104 11.172 -9.024) 14.403 32.894 ( -6.016 -2.685 -2.809) 7.162 33.006 ( -7.465 1.387 4.458) 8.804 33.105 ( 2.551 -2.761 3.785) 5.334 33.317 ( -6.581 -0.395 -2.261) 6.970 33.336 ( -3.140 -0.445 -3.202) 4.507 33.610 ( 1.672 5.193 -0.581) 5.486 33.901 ( 12.285 -6.289 -4.347) 14.470 34.025 ( 9.951 0.712 -2.432) 10.269 34.058 ( 10.928 -0.792 -1.664) 11.083 34.975 ( -2.182 0.231 -6.475) 6.837 34.988 ( -2.212 -0.315 -6.092) 6.489 35.061 ( -2.003 0.578 5.407) 5.795 35.092 ( -1.687 -0.702 5.786) 6.067 35.789 ( -3.232 2.356 -3.962) 5.630 35.864 ( -1.693 1.779 -5.787) 6.287 35.883 ( -4.354 -1.010 -3.016) 5.392 35.991 ( -3.558 -2.487 -2.820) 5.177 36.014 ( -1.729 -0.608 2.052) 2.751 36.038 ( -3.117 -1.983 1.824) 4.120 36.227 ( 3.685 2.575 12.234) 13.034 36.312 ( 6.406 -1.575 13.466) 14.995 37.213 ( -17.599 6.137 2.923) 18.866 37.573 ( -14.134 -9.760 8.110) 18.994 38.094 ( 16.848 8.539 -2.047) 18.999 38.430 ( 19.967 -6.145 -2.817) 21.081 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -17.308 7.944 14.973) 24.225 1.362 ( -17.722 22.496 10.603) 30.539 1.730 ( -7.668 -9.738 7.650) 14.565 1.904 ( -28.089 11.035 8.708) 31.410 1.912 ( -8.836 -2.591 5.149) 10.550 2.214 ( -12.231 -0.300 4.068) 12.893 2.265 ( -4.258 -2.655 -3.655) 6.208 2.329 ( 2.572 4.860 -3.001) 6.265 2.488 ( 1.802 3.077 2.151) 4.165 2.570 ( 4.813 -2.097 3.496) 6.307 2.598 ( -1.388 -8.679 2.655) 9.181 2.680 ( 4.455 2.609 6.804) 8.541 2.817 ( -2.182 0.348 -0.598) 2.289 2.903 ( 0.896 -0.738 -4.256) 4.412 2.964 ( -2.709 -7.568 0.086) 8.038 3.028 ( 4.471 0.250 6.159) 7.615 3.035 ( -3.597 -0.174 0.733) 3.675 3.050 ( -4.596 2.577 0.766) 5.324 3.196 ( 6.401 4.989 0.954) 8.172 3.234 ( -4.469 1.602 1.474) 4.970 3.358 ( -4.020 3.516 -2.229) 5.787 3.440 ( 1.032 -2.120 -3.518) 4.235 3.500 ( -1.068 5.894 2.764) 6.597 3.544 ( 0.129 0.917 0.471) 1.039 3.611 ( -6.892 1.552 5.030) 8.672 3.656 ( -2.225 -0.337 5.825) 6.244 3.701 ( -3.649 0.460 6.421) 7.400 3.815 ( -4.212 2.924 3.427) 6.167 3.855 ( -3.319 0.996 -0.086) 3.466 3.911 ( -3.121 4.648 -6.537) 8.607 4.019 ( -4.582 1.890 -3.476) 6.054 4.048 ( -4.712 0.351 -0.125) 4.727 4.168 ( -6.564 -2.745 1.914) 7.368 4.280 ( -1.363 0.534 -5.061) 5.269 4.310 ( -4.381 2.750 -0.905) 5.251 4.424 ( -1.782 0.175 -3.725) 4.133 4.462 ( -0.310 -3.376 -1.835) 3.855 4.585 ( -7.697 -2.611 1.648) 8.293 4.634 ( -3.514 -2.886 5.307) 6.989 4.683 ( 3.005 -0.722 -1.071) 3.271 4.852 ( 2.320 2.531 -3.584) 4.963 4.911 ( 1.107 -4.639 3.096) 5.686 4.962 ( 1.218 0.555 3.634) 3.872 5.068 ( 2.859 -0.172 2.385) 3.727 5.104 ( 1.466 -4.018 6.126) 7.471 5.194 ( 1.329 0.671 -4.194) 4.450 5.277 ( 1.902 1.186 -0.541) 2.306 5.330 ( 2.893 0.233 4.242) 5.140 5.383 ( -3.057 1.719 -7.785) 8.539 5.458 ( 1.706 -2.722 -7.274) 7.951 5.515 ( -1.200 3.923 -1.676) 4.431 5.623 ( 0.159 3.012 3.046) 4.287 5.665 ( -1.895 -0.325 -5.647) 5.965 5.694 ( 3.588 -0.792 2.040) 4.203 5.816 ( -3.464 0.574 -4.751) 5.907 5.912 ( -0.027 3.617 -6.531) 7.466 6.059 ( 2.877 -3.865 -4.768) 6.779 6.083 ( 1.725 -9.779 0.550) 9.946 6.167 ( 3.161 -1.686 1.885) 4.048 6.216 ( 2.088 0.410 -7.776) 8.062 6.311 ( 1.138 -5.026 -0.138) 5.155 6.382 ( -1.010 -4.688 0.255) 4.803 6.461 ( 1.154 -3.135 -3.567) 4.887 6.552 ( 1.479 -2.095 -2.073) 3.297 6.705 ( -5.437 2.682 3.708) 7.106 6.784 ( 4.095 0.047 3.152) 5.168 6.854 ( 0.384 2.456 2.888) 3.810 6.927 ( 0.986 0.117 1.653) 1.928 7.023 ( -0.982 2.628 1.476) 3.170 7.134 ( -2.259 -0.613 1.915) 3.024 7.172 ( -1.889 -0.230 -0.083) 1.905 7.253 ( -5.164 -1.540 1.145) 5.509 7.360 ( 3.177 0.477 0.204) 3.219 7.427 ( 4.405 -2.311 0.522) 5.002 7.525 ( 1.836 5.078 0.315) 5.409 7.718 ( -0.228 -3.666 0.637) 3.728 8.231 ( 19.101 5.529 -1.878) 19.974 8.333 ( 18.626 3.554 -0.445) 18.968 8.496 ( 18.340 -4.668 -1.836) 19.014 8.605 ( 13.689 -6.330 0.549) 15.092 8.944 ( -1.055 4.218 -0.099) 4.349 9.029 ( 1.257 3.493 -0.468) 3.742 9.222 ( -3.262 -2.378 1.238) 4.223 9.257 ( -0.602 -2.320 -0.687) 2.493 9.347 ( -3.193 1.813 -2.474) 4.428 9.381 ( -5.830 -0.726 -1.716) 6.121 9.406 ( -4.030 -1.358 0.043) 4.253 9.488 ( -2.446 -0.984 0.681) 2.723 9.492 ( -5.130 -2.532 -1.736) 5.978 9.591 ( -4.108 0.508 1.264) 4.328 9.717 ( -0.889 -4.964 -2.260) 5.526 9.764 ( -6.014 -3.387 0.746) 6.943 9.941 ( -2.361 3.227 4.611) 6.103 10.084 ( 3.749 -3.848 0.384) 5.386 10.194 ( 11.105 1.212 1.721) 11.303 10.240 ( 12.634 1.848 -1.383) 12.843 10.318 ( 11.473 2.919 1.077) 11.887 10.478 ( 11.626 0.389 1.453) 11.723 10.556 ( 8.600 1.668 -2.632) 9.147 10.696 ( 7.151 -2.076 -0.237) 7.450 10.754 ( 6.161 3.362 -0.738) 7.057 10.825 ( 5.614 1.420 -1.618) 6.012 10.972 ( 4.095 -1.418 1.262) 4.514 11.076 ( 7.001 -3.564 -1.061) 7.927 11.577 ( -11.912 -0.883 -0.639) 11.962 11.579 ( -12.482 -1.562 -0.024) 12.580 11.672 ( -7.549 -2.461 0.124) 7.941 11.715 ( -6.551 -2.623 0.645) 7.086 12.093 ( -3.309 2.804 1.728) 4.669 12.190 ( -1.813 3.947 -1.948) 4.760 12.292 ( 1.070 -2.396 1.318) 2.937 12.316 ( 6.154 4.462 0.651) 7.629 12.417 ( 1.061 -0.597 0.260) 1.245 12.454 ( -2.926 -3.900 -0.951) 4.967 12.474 ( 1.099 0.218 0.277) 1.154 12.527 ( 0.451 1.012 -1.875) 2.178 12.697 ( -2.147 5.310 2.020) 6.073 12.789 ( -1.988 6.435 -1.011) 6.811 12.965 ( 1.677 -4.877 1.086) 5.271 12.991 ( -0.301 -2.729 -0.820) 2.865 13.335 ( -2.728 5.316 -0.708) 6.017 13.370 ( -4.840 6.897 0.601) 8.447 13.691 ( -8.377 -6.879 0.397) 10.847 13.728 ( -4.574 -10.370 -0.687) 11.355 14.052 ( 1.838 11.899 -0.297) 12.044 14.155 ( -0.091 2.939 -0.224) 2.949 14.261 ( -1.100 0.078 0.948) 1.454 14.328 ( 2.380 -2.750 -0.867) 3.738 14.381 ( -2.189 7.371 1.975) 7.939 14.596 ( 2.324 11.355 -1.567) 11.696 14.766 ( -0.867 1.200 -0.663) 1.622 14.810 ( -3.934 -0.325 0.553) 3.986 14.985 ( -9.583 2.212 0.792) 9.866 15.116 ( -6.826 4.995 -2.909) 8.944 15.280 ( -9.931 -4.577 -0.188) 10.936 15.309 ( -8.323 -3.591 0.503) 9.079 15.470 ( -5.453 -0.445 -0.830) 5.533 15.572 ( -7.282 -0.642 -0.928) 7.369 15.649 ( 3.898 -1.429 0.421) 4.173 15.673 ( 6.071 -1.083 -0.707) 6.207 15.859 ( -2.154 -0.005 0.912) 2.340 15.908 ( -2.387 -2.716 -0.127) 3.618 16.167 ( -4.826 1.192 -7.387) 8.904 16.207 ( 5.702 -1.450 -2.354) 6.337 16.632 ( -1.985 0.479 0.160) 2.048 16.654 ( -2.917 0.558 -0.451) 3.003 16.733 ( -2.213 0.219 -0.416) 2.263 16.856 ( -0.367 -3.564 -4.636) 5.859 17.349 ( 0.056 0.373 0.138) 0.402 17.354 ( -0.725 0.325 1.273) 1.500 17.411 ( -0.618 0.338 -0.278) 0.757 17.429 ( -0.701 -0.509 -1.245) 1.516 19.817 ( -3.495 1.359 0.941) 3.866 19.957 ( -2.396 -3.084 -2.678) 4.736 20.094 ( -3.922 1.048 -0.519) 4.093 20.186 ( -5.567 -2.085 -2.458) 6.433 20.527 ( 2.362 0.898 2.378) 3.470 20.540 ( 3.016 0.442 -0.125) 3.051 20.798 ( 2.586 -0.166 -2.508) 3.606 20.802 ( 0.898 -0.461 -0.738) 1.250 22.074 ( -7.376 2.156 0.725) 7.719 22.097 ( -4.877 1.535 1.742) 5.401 22.284 ( -6.440 -0.648 0.077) 6.473 22.298 ( -4.679 -1.218 0.249) 4.841 22.963 ( 10.148 0.140 -2.700) 10.501 23.040 ( 6.938 -2.928 -0.056) 7.531 23.177 ( 9.789 -1.999 1.133) 10.055 23.220 ( 9.469 -1.876 2.179) 9.896 26.803 ( -16.416 1.589 0.877) 16.516 26.886 ( -20.419 -1.270 1.054) 20.485 26.949 ( -21.554 5.159 -1.285) 22.200 27.507 ( -30.177 -25.563 -15.527) 42.487 28.714 ( 20.607 5.607 -0.089) 21.357 28.781 ( 20.132 6.249 -0.420) 21.084 28.908 ( 17.061 -3.518 1.515) 17.486 29.117 ( 16.772 -7.434 -1.626) 18.417 30.169 ( -14.170 7.986 1.264) 16.315 30.478 ( -4.331 4.060 3.087) 6.692 30.499 ( -7.207 8.186 -3.439) 11.436 30.759 ( -0.470 -1.491 -0.255) 1.584 30.910 ( -5.272 4.861 -0.491) 7.188 31.071 ( -6.043 2.963 -0.371) 6.740 31.224 ( -8.077 -6.850 -2.590) 10.903 31.254 ( -6.549 -8.061 -1.451) 10.487 31.621 ( 0.171 3.112 0.448) 3.148 31.825 ( 1.622 -5.527 2.077) 6.123 31.907 ( 8.232 3.296 -1.131) 8.939 31.949 ( 11.048 2.096 -1.167) 11.305 32.118 ( 3.831 5.625 -0.485) 6.823 32.265 ( -3.405 22.717 -25.708) 34.476 32.341 ( 0.733 -2.376 -2.840) 3.774 32.748 ( -7.048 -2.919 -4.838) 9.033 32.908 ( -11.079 3.847 3.122) 12.136 33.009 ( -13.445 -0.900 0.821) 13.500 33.135 ( -9.972 3.070 -5.752) 11.915 33.358 ( 9.050 -3.866 -10.015) 14.040 33.672 ( 4.507 4.263 0.708) 6.244 33.954 ( 9.426 -6.629 -18.202) 21.543 34.113 ( 7.674 1.313 -6.992) 10.464 34.168 ( 7.882 -1.226 -5.162) 9.502 34.912 ( 0.513 0.285 -0.250) 0.637 34.924 ( -0.621 -0.223 0.925) 1.136 35.083 ( -2.968 0.891 5.263) 6.107 35.124 ( -2.612 -0.823 6.034) 6.627 35.698 ( -2.443 1.998 -3.725) 4.882 35.748 ( -5.472 2.473 -2.700) 6.584 35.793 ( -3.905 -1.820 -1.524) 4.570 35.872 ( -5.810 -2.201 -2.845) 6.833 36.035 ( -2.733 -0.149 7.899) 8.360 36.066 ( -0.874 -2.388 6.648) 7.118 36.468 ( 6.147 2.982 12.714) 14.433 36.562 ( 6.230 -1.602 6.208) 8.940 37.059 ( -11.978 8.275 14.063) 20.241 37.645 ( 1.918 -18.974 26.551) 32.690 38.292 ( 14.465 10.153 -5.675) 18.562 38.674 ( 16.903 -7.109 -5.226) 19.067 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -22.988 16.090 13.899) 31.313 1.366 ( -9.030 29.365 14.482) 33.965 1.647 ( -6.393 8.791 24.519) 26.820 1.764 ( -12.096 0.737 -13.270) 17.971 1.912 ( 2.256 -8.801 11.378) 14.561 2.024 ( -3.663 0.591 0.830) 3.802 2.199 ( -3.282 -10.173 1.242) 10.761 2.288 ( -2.536 -1.431 -1.034) 3.090 2.498 ( -0.137 -1.719 -0.795) 1.898 2.650 ( 0.704 -6.228 4.710) 7.840 2.704 ( 1.668 -2.015 9.620) 9.969 2.816 ( 3.606 0.967 2.940) 4.752 2.867 ( 1.991 -2.022 4.033) 4.931 2.908 ( -0.700 0.840 2.158) 2.420 2.939 ( 1.695 0.069 1.277) 2.124 3.002 ( -0.544 2.672 7.457) 7.940 3.062 ( -2.174 1.270 3.574) 4.372 3.132 ( 0.090 0.598 2.080) 2.166 3.217 ( 0.698 0.275 2.245) 2.367 3.260 ( -0.218 5.135 -3.180) 6.044 3.301 ( 3.320 -0.827 -0.225) 3.429 3.380 ( -7.130 -0.614 -3.166) 7.825 3.488 ( -1.487 7.761 -5.031) 9.368 3.548 ( -2.291 2.176 5.638) 6.464 3.572 ( -2.584 1.337 -1.811) 3.427 3.633 ( -4.905 -0.256 0.603) 4.949 3.690 ( -2.968 -1.206 2.304) 3.946 3.725 ( -0.923 5.536 -0.440) 5.630 3.793 ( -5.256 2.898 -0.613) 6.033 3.867 ( -2.597 3.931 -0.637) 4.754 3.926 ( 0.902 1.991 0.925) 2.374 4.014 ( -4.504 -1.192 -2.158) 5.134 4.045 ( -1.262 1.620 -2.654) 3.356 4.236 ( -2.743 -0.283 -3.280) 4.285 4.248 ( -0.856 -3.801 -1.283) 4.102 4.347 ( -1.902 2.130 -1.457) 3.205 4.455 ( -3.683 -7.812 -1.017) 8.696 4.528 ( -2.021 -0.925 7.749) 8.061 4.646 ( -0.320 0.962 1.179) 1.556 4.726 ( -1.218 -0.924 5.101) 5.325 4.817 ( 0.318 2.273 -5.594) 6.047 4.949 ( -1.903 -4.360 -0.652) 4.801 4.996 ( 2.407 0.640 3.106) 3.982 5.100 ( 1.447 3.931 -2.574) 4.916 5.130 ( 2.450 -0.267 2.162) 3.279 5.160 ( 0.878 -2.434 -5.334) 5.928 5.254 ( -2.066 3.826 -6.772) 8.048 5.353 ( -0.216 -4.364 0.996) 4.481 5.399 ( -1.997 7.745 -2.211) 8.298 5.434 ( 2.037 0.389 -2.835) 3.512 5.492 ( 1.491 -0.684 6.469) 6.674 5.554 ( -2.026 -0.001 -5.832) 6.174 5.609 ( 0.738 3.462 -1.537) 3.859 5.695 ( -1.406 2.840 -2.456) 4.009 5.846 ( 3.011 -1.218 -2.071) 3.852 5.895 ( 6.306 -2.443 2.661) 7.267 5.980 ( -1.538 -8.112 -6.571) 10.552 6.079 ( -3.767 2.485 -8.398) 9.534 6.125 ( 1.267 -6.662 -7.290) 9.956 6.263 ( -1.420 -4.261 4.245) 6.180 6.295 ( 3.319 -4.636 -5.229) 7.736 6.381 ( 3.576 -9.334 3.384) 10.553 6.500 ( -0.172 -4.278 0.150) 4.284 6.542 ( 3.046 -3.868 -3.387) 5.976 6.641 ( -4.840 1.182 2.722) 5.678 6.827 ( -1.842 -4.651 -4.498) 6.727 6.909 ( 1.790 0.404 1.275) 2.234 6.929 ( 0.870 1.255 2.470) 2.904 7.033 ( 0.532 2.195 2.878) 3.658 7.136 ( 2.944 0.923 -2.162) 3.768 7.153 ( -4.447 -2.247 3.294) 5.973 7.212 ( -0.854 -0.414 1.372) 1.669 7.465 ( 6.668 0.447 3.464) 7.527 7.531 ( 3.659 -2.862 3.865) 6.043 7.597 ( 5.355 2.405 1.452) 6.047 7.711 ( -2.189 -2.629 1.639) 3.793 8.516 ( 17.312 5.964 0.619) 18.321 8.611 ( 16.988 2.974 -1.503) 17.312 8.739 ( 12.388 -2.017 -0.815) 12.577 8.811 ( 10.881 -1.697 -0.045) 11.012 8.948 ( 1.835 0.430 0.775) 2.038 9.053 ( 2.579 2.320 -0.202) 3.475 9.153 ( -4.327 -2.076 -1.497) 5.027 9.240 ( -0.596 -2.097 -0.724) 2.297 9.262 ( -3.633 0.765 -1.949) 4.193 9.286 ( -4.557 -2.442 -0.646) 5.211 9.342 ( -3.799 -2.601 -1.497) 4.841 9.399 ( -4.138 -3.646 -1.545) 5.727 9.474 ( -0.408 0.630 -0.006) 0.750 9.533 ( -4.413 1.125 0.218) 4.559 9.649 ( -4.751 -3.656 -0.200) 5.998 9.676 ( -5.523 -2.851 -0.433) 6.230 9.977 ( -1.619 2.147 6.733) 7.250 10.128 ( 2.221 -4.588 -0.617) 5.134 10.351 ( 7.241 3.782 -0.029) 8.169 10.385 ( 6.521 4.765 -0.973) 8.135 10.479 ( 6.686 2.765 2.084) 7.530 10.597 ( 5.963 4.030 -3.035) 7.811 10.709 ( 9.977 -4.191 -0.021) 10.822 10.782 ( 6.474 -3.351 -1.274) 7.400 10.856 ( 6.945 3.142 -0.286) 7.628 10.901 ( 5.232 1.711 -1.038) 5.601 11.042 ( 3.101 -0.092 1.018) 3.265 11.159 ( 3.176 -3.101 -1.239) 4.609 11.363 ( -11.971 1.586 -0.556) 12.088 11.386 ( -12.632 1.488 -0.098) 12.720 11.585 ( -2.548 -7.650 -0.135) 8.065 11.634 ( -3.809 -8.108 0.064) 8.958 12.062 ( -4.106 4.167 2.962) 6.557 12.135 ( -0.961 3.803 -3.262) 5.102 12.316 ( -0.885 -3.555 2.260) 4.305 12.391 ( -2.094 -3.134 -1.944) 4.241 12.425 ( 6.109 4.238 0.010) 7.435 12.453 ( 2.757 2.314 -0.073) 3.599 12.492 ( 1.108 3.297 0.070) 3.479 12.528 ( 1.132 4.689 -0.371) 4.838 12.675 ( -2.785 6.598 1.238) 7.268 12.746 ( -1.126 8.093 -1.515) 8.310 12.969 ( -0.833 -2.900 -0.194) 3.023 12.991 ( -0.185 -5.602 1.011) 5.696 13.309 ( -1.230 2.915 -0.268) 3.176 13.319 ( -1.073 2.346 -0.180) 2.586 13.532 ( -10.396 -4.954 -0.446) 11.524 13.559 ( -13.390 -7.644 -0.745) 15.437 14.125 ( 5.191 9.896 0.198) 11.176 14.213 ( 5.978 6.770 0.381) 9.039 14.253 ( -0.280 3.356 0.769) 3.454 14.374 ( -1.834 4.953 0.127) 5.283 14.405 ( 8.226 -0.033 -0.838) 8.269 14.530 ( -5.286 7.026 -4.862) 10.047 14.672 ( -6.506 0.560 0.446) 6.545 14.754 ( -7.796 4.964 0.883) 9.284 14.873 ( -3.270 -0.007 1.118) 3.456 14.958 ( -8.088 2.239 -2.776) 8.840 15.125 ( -9.044 -5.407 -0.330) 10.543 15.153 ( -10.074 -2.830 -1.068) 10.519 15.340 ( -6.194 14.944 -3.290) 16.508 15.395 ( -9.421 7.289 -3.429) 12.395 15.721 ( 3.851 -3.389 1.529) 5.353 15.787 ( 7.318 -0.036 0.530) 7.337 15.867 ( 0.383 -1.692 0.608) 1.839 15.917 ( 0.070 -3.840 1.360) 4.075 16.003 ( -3.183 1.868 -3.756) 5.266 16.237 ( 3.201 -5.024 -5.370) 8.020 16.596 ( -2.861 1.059 -0.277) 3.063 16.615 ( -1.226 -0.094 1.023) 1.600 16.689 ( -2.532 -0.591 -1.662) 3.086 16.717 ( -8.086 -1.177 -2.649) 8.590 17.358 ( 0.704 0.431 0.307) 0.881 17.364 ( -0.024 0.416 1.294) 1.359 17.402 ( -0.506 0.162 0.027) 0.532 17.411 ( 0.075 -0.205 -0.636) 0.673 19.794 ( -1.873 0.429 1.358) 2.353 19.883 ( -1.696 -0.547 -3.925) 4.310 20.055 ( -1.197 -3.073 0.705) 3.372 20.094 ( -2.341 -2.977 -1.108) 3.946 20.570 ( 0.644 0.564 1.391) 1.633 20.577 ( 1.139 0.489 0.745) 1.446 20.803 ( 0.589 -0.171 -0.739) 0.960 20.810 ( 1.927 -0.163 -1.832) 2.664 22.009 ( -3.267 2.048 2.547) 4.621 22.085 ( -0.351 -1.024 0.981) 1.461 22.204 ( -3.425 -0.540 0.192) 3.472 22.238 ( -2.899 -1.569 -0.327) 3.312 23.066 ( 6.718 -0.712 -2.765) 7.300 23.103 ( 2.540 -3.704 -1.287) 4.672 23.347 ( 8.484 -0.150 1.640) 8.643 23.375 ( 6.644 -1.138 1.617) 6.932 26.601 ( -10.169 0.613 0.237) 10.190 26.625 ( -12.684 0.701 -0.402) 12.710 26.661 ( -13.979 0.526 0.928) 14.020 26.826 ( -30.131 -8.012 -8.629) 32.351 28.994 ( 14.122 3.883 1.209) 14.696 29.081 ( 17.694 4.740 -0.537) 18.326 29.136 ( 8.495 -2.565 3.070) 9.390 29.328 ( 12.441 -5.432 -3.175) 13.941 29.970 ( -13.644 11.135 3.286) 17.915 30.310 ( -7.998 16.002 -9.838) 20.416 30.468 ( -2.050 2.875 4.237) 5.515 30.741 ( -0.406 -1.327 -2.282) 2.671 30.853 ( -2.429 2.000 1.141) 3.347 30.940 ( -5.711 0.765 -3.744) 6.872 31.105 ( -4.127 -3.921 -0.252) 5.698 31.142 ( -6.087 -3.456 -0.005) 7.000 31.594 ( -3.144 4.951 0.724) 5.909 31.838 ( -6.190 17.177 -13.337) 22.611 31.879 ( -0.373 5.204 1.090) 5.330 32.071 ( 9.468 2.703 1.053) 9.902 32.153 ( 12.471 0.276 -1.441) 12.557 32.208 ( 5.854 1.293 0.776) 6.045 32.348 ( 1.941 -3.485 -1.215) 4.170 32.574 ( -4.494 -3.915 -9.404) 11.134 32.765 ( -11.437 1.601 3.776) 12.150 32.802 ( -13.396 -0.397 1.182) 13.454 32.912 ( -8.046 3.351 -6.096) 10.636 33.247 ( 2.484 -8.110 -26.413) 27.741 33.750 ( 2.242 1.329 3.763) 4.578 33.855 ( 1.722 -3.141 -9.019) 9.705 34.112 ( 3.627 1.457 -7.876) 8.793 34.184 ( 3.904 -1.587 -7.785) 8.852 34.973 ( 4.131 0.267 2.002) 4.598 34.990 ( 3.979 -0.473 4.248) 5.839 35.088 ( -3.108 1.647 4.157) 5.446 35.147 ( -2.624 -0.894 4.696) 5.454 35.636 ( -1.255 1.675 -2.077) 2.949 35.655 ( -3.619 2.384 -0.954) 4.438 35.731 ( -1.900 -1.985 -1.139) 2.975 35.768 ( -4.453 -2.153 -1.012) 5.049 36.108 ( -1.198 0.315 10.210) 10.284 36.153 ( 0.103 -1.936 9.743) 9.934 36.559 ( 0.227 0.970 -5.295) 5.388 36.601 ( 1.218 -1.068 -6.057) 6.270 37.237 ( -1.352 13.057 32.167) 34.742 38.042 ( 7.786 -17.449 11.033) 22.064 38.469 ( 13.801 -0.866 1.857) 13.952 38.823 ( 10.714 -9.072 -6.897) 15.642 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -4.954 -22.046 9.188) 24.393 1.432 ( -4.954 22.046 9.188) 24.393 1.778 ( 5.476 -15.649 -12.989) 21.062 1.778 ( 5.476 15.649 -12.989) 21.062 1.896 ( 1.118 -12.471 3.130) 12.906 1.896 ( 1.118 12.471 3.130) 12.906 2.264 ( -2.236 -4.494 6.018) 7.836 2.264 ( -2.236 4.494 6.018) 7.836 2.585 ( 3.210 -10.982 16.192) 19.826 2.585 ( 3.210 10.982 16.192) 19.826 2.800 ( 1.785 -1.063 6.092) 6.436 2.800 ( 1.785 1.063 6.092) 6.436 2.911 ( -3.906 -1.910 2.482) 5.006 2.911 ( -3.906 1.910 2.482) 5.006 3.036 ( -3.788 -0.631 -5.622) 6.809 3.036 ( -3.788 0.631 -5.622) 6.809 3.116 ( 1.621 -1.994 3.291) 4.175 3.116 ( 1.621 1.994 3.291) 4.175 3.251 ( -0.347 -4.567 0.776) 4.646 3.251 ( -0.347 4.567 0.776) 4.646 3.381 ( 4.341 -6.505 -3.248) 8.468 3.381 ( 4.341 6.505 -3.248) 8.468 3.440 ( -1.990 -6.420 -6.788) 9.553 3.440 ( -1.990 6.420 -6.788) 9.553 3.605 ( -2.446 -2.056 5.642) 6.484 3.605 ( -2.446 2.056 5.642) 6.484 3.674 ( -0.393 -4.636 0.879) 4.735 3.674 ( -0.393 4.636 0.879) 4.735 3.811 ( 1.244 -2.275 -4.518) 5.209 3.811 ( 1.244 2.275 -4.518) 5.209 4.015 ( 0.648 -4.013 -0.870) 4.157 4.015 ( 0.648 4.013 -0.870) 4.157 4.106 ( -1.980 -9.420 2.913) 10.057 4.106 ( -1.980 9.420 2.913) 10.057 4.202 ( -1.053 -6.524 -4.324) 7.898 4.202 ( -1.053 6.524 -4.324) 7.898 4.551 ( 0.856 -8.697 6.238) 10.737 4.551 ( 0.856 8.697 6.238) 10.737 4.693 ( 0.244 -8.789 -3.812) 9.583 4.693 ( 0.244 8.789 -3.812) 9.583 4.838 ( -0.477 -2.182 5.860) 6.271 4.838 ( -0.477 2.182 5.860) 6.271 5.123 ( -0.112 -3.947 5.273) 6.587 5.123 ( -0.112 3.947 5.273) 6.587 5.179 ( 1.290 -2.774 -5.791) 6.550 5.179 ( 1.290 2.774 -5.791) 6.550 5.284 ( 2.472 -4.124 -0.802) 4.875 5.284 ( 2.472 4.124 -0.802) 4.875 5.380 ( -0.505 -2.190 -0.723) 2.361 5.380 ( -0.505 2.190 -0.723) 2.361 5.488 ( -0.307 -10.496 -13.063) 16.761 5.488 ( -0.307 10.496 -13.063) 16.761 5.698 ( -4.454 -0.592 6.900) 8.234 5.698 ( -4.454 0.592 6.900) 8.234 5.816 ( 4.007 -8.229 -2.489) 9.485 5.816 ( 4.007 8.229 -2.489) 9.485 5.968 ( 1.288 -0.291 -1.408) 1.930 5.968 ( 1.288 0.291 -1.408) 1.930 6.075 ( -1.051 -5.073 -3.914) 6.493 6.075 ( -1.051 5.073 -3.914) 6.493 6.296 ( -0.398 -2.850 4.942) 5.719 6.296 ( -0.398 2.850 4.942) 5.719 6.430 ( -0.776 -1.974 -6.826) 7.148 6.430 ( -0.776 1.974 -6.826) 7.148 6.642 ( -0.602 -2.734 -0.512) 2.846 6.642 ( -0.602 2.734 -0.512) 2.846 6.912 ( -1.239 -1.065 -0.250) 1.653 6.912 ( -1.239 1.065 -0.250) 1.653 7.124 ( -0.602 -1.972 4.132) 4.618 7.124 ( -0.602 1.972 4.132) 4.618 7.212 ( 1.644 -1.743 -1.149) 2.657 7.212 ( 1.644 1.743 -1.149) 2.657 7.575 ( 1.866 -0.542 1.993) 2.783 7.575 ( 1.866 0.542 1.993) 2.783 7.660 ( -0.655 -1.012 0.472) 1.294 7.660 ( -0.655 1.012 0.472) 1.294 8.781 ( -1.224 -4.239 1.020) 4.528 8.781 ( -1.224 4.239 1.020) 4.528 8.836 ( 1.777 -3.842 -2.549) 4.941 8.836 ( 1.777 3.842 -2.549) 4.941 9.095 ( 3.141 -3.665 0.855) 4.902 9.095 ( 3.141 3.665 0.855) 4.902 9.108 ( -2.976 -5.015 -0.311) 5.839 9.108 ( -2.976 5.015 -0.311) 5.839 9.230 ( 0.538 -2.134 -0.542) 2.266 9.230 ( 0.538 2.134 -0.542) 2.266 9.242 ( -0.963 -0.370 -1.354) 1.702 9.242 ( -0.963 0.370 -1.354) 1.702 9.494 ( -1.537 -1.798 1.309) 2.704 9.494 ( -1.537 1.798 1.309) 2.704 9.583 ( 1.195 -2.179 -1.265) 2.789 9.583 ( 1.195 2.179 -1.265) 2.789 10.061 ( -0.169 -3.276 2.672) 4.231 10.061 ( -0.169 3.276 2.672) 4.231 10.455 ( 0.769 -0.487 -2.648) 2.800 10.455 ( 0.769 0.487 -2.648) 2.800 10.672 ( -1.468 -6.158 2.121) 6.676 10.672 ( -1.468 6.158 2.121) 6.676 10.749 ( 1.043 -4.436 -1.402) 4.767 10.749 ( 1.043 4.436 -1.402) 4.767 10.976 ( 0.248 -2.071 0.707) 2.202 10.976 ( 0.248 2.071 0.707) 2.202 11.076 ( -0.630 -2.926 -1.330) 3.275 11.076 ( -0.630 2.926 -1.330) 3.275 11.341 ( 0.157 -0.421 -0.491) 0.665 11.341 ( 0.157 0.421 -0.491) 0.665 11.426 ( 0.077 -1.027 0.170) 1.044 11.426 ( 0.077 1.027 0.170) 1.044 12.131 ( -0.586 -2.979 0.587) 3.092 12.131 ( -0.586 2.979 0.587) 3.092 12.286 ( 0.311 -2.304 -0.723) 2.435 12.286 ( 0.311 2.304 -0.723) 2.435 12.532 ( -0.753 -2.150 1.195) 2.573 12.532 ( -0.753 2.150 1.195) 2.573 12.560 ( 0.370 -2.645 -1.359) 2.996 12.560 ( 0.370 2.645 -1.359) 2.996 12.829 ( -0.362 -5.536 0.851) 5.613 12.829 ( -0.362 5.536 0.851) 5.613 12.882 ( 0.995 -3.908 -0.390) 4.052 12.882 ( 0.995 3.908 -0.390) 4.052 13.338 ( 0.236 -0.246 -0.015) 0.341 13.338 ( 0.236 0.246 -0.015) 0.341 13.406 ( -0.286 -1.013 0.340) 1.106 13.406 ( -0.286 1.013 0.340) 1.106 14.296 ( -0.264 -1.598 0.301) 1.648 14.296 ( -0.264 1.598 0.301) 1.648 14.323 ( 0.985 -2.480 -0.603) 2.736 14.323 ( 0.985 2.480 -0.603) 2.736 14.577 ( -2.926 -3.229 0.971) 4.464 14.577 ( -2.926 3.229 0.971) 4.464 14.666 ( 2.463 -1.600 0.061) 2.937 14.666 ( 2.463 1.600 0.061) 2.937 14.874 ( 0.240 -5.926 2.347) 6.378 14.874 ( 0.240 5.926 2.347) 6.378 14.956 ( 0.380 -6.328 -4.243) 7.628 14.956 ( 0.380 6.328 -4.243) 7.628 15.536 ( -1.324 -12.732 4.260) 13.491 15.536 ( -1.324 12.732 4.260) 13.491 15.772 ( 1.892 -8.599 -5.025) 10.138 15.772 ( 1.892 8.599 -5.025) 10.138 15.875 ( 2.428 -1.224 -0.833) 2.844 15.875 ( 2.428 1.224 -0.833) 2.844 15.991 ( -3.258 -5.119 -2.923) 6.736 15.991 ( -3.258 5.119 -2.923) 6.736 16.591 ( -0.854 -0.116 0.197) 0.884 16.591 ( -0.854 0.116 0.197) 0.884 16.633 ( 0.168 -1.144 -0.067) 1.158 16.633 ( 0.168 1.144 -0.067) 1.158 17.380 ( 0.049 -0.207 0.648) 0.682 17.380 ( 0.049 0.207 0.648) 0.682 17.402 ( 0.198 -0.568 -0.440) 0.745 17.402 ( 0.198 0.568 -0.440) 0.745 19.825 ( 0.236 -2.021 -0.534) 2.104 19.825 ( 0.236 2.021 -0.534) 2.104 20.005 ( -0.286 -0.784 -0.243) 0.869 20.005 ( -0.286 0.784 -0.243) 0.869 20.592 ( -0.872 -0.692 1.319) 1.726 20.592 ( -0.872 0.692 1.319) 1.726 20.804 ( 0.711 -0.532 -1.274) 1.553 20.804 ( 0.711 0.532 -1.274) 1.553 22.063 ( 0.846 -1.959 1.237) 2.467 22.063 ( 0.846 1.959 1.237) 2.467 22.169 ( -0.727 -1.048 -0.373) 1.329 22.169 ( -0.727 1.048 -0.373) 1.329 23.084 ( 0.440 -0.534 -1.382) 1.546 23.084 ( 0.440 0.534 -1.382) 1.546 23.427 ( -0.578 -0.115 0.791) 0.986 23.427 ( -0.578 0.115 0.791) 0.986 26.517 ( 0.020 -0.028 -0.140) 0.144 26.517 ( 0.020 0.028 -0.140) 0.144 26.559 ( 0.154 -0.094 0.111) 0.212 26.559 ( 0.154 0.094 0.111) 0.212 29.185 ( -0.362 -2.064 2.522) 3.279 29.185 ( -0.362 2.064 2.522) 3.279 29.310 ( 0.782 -3.404 -2.590) 4.348 29.310 ( 0.782 3.404 -2.590) 4.348 30.191 ( -0.992 -11.121 7.108) 13.235 30.191 ( -0.992 11.121 7.108) 13.235 30.585 ( -0.226 -7.923 -7.806) 11.125 30.585 ( -0.226 7.923 -7.806) 11.125 30.875 ( 0.489 -1.001 -0.006) 1.114 30.875 ( 0.489 1.001 -0.006) 1.114 31.058 ( -0.019 -0.587 0.199) 0.620 31.058 ( -0.019 0.587 0.199) 0.620 31.761 ( -0.036 -10.065 5.938) 11.686 31.761 ( -0.036 10.065 5.938) 11.686 32.083 ( -0.128 -17.639 -17.576) 24.901 32.083 ( -0.128 17.639 -17.576) 24.901 32.261 ( -0.295 -2.013 -0.387) 2.071 32.261 ( -0.295 2.013 -0.387) 2.071 32.301 ( 2.232 -2.579 -1.493) 3.723 32.301 ( 2.232 2.579 -1.493) 3.723 32.660 ( -4.116 -0.482 2.300) 4.739 32.660 ( -4.116 0.482 2.300) 4.739 32.872 ( 2.245 -3.630 -8.142) 9.193 32.872 ( 2.245 3.630 -8.142) 9.193 33.819 ( -0.266 -0.522 2.801) 2.861 33.819 ( -0.266 0.522 2.801) 2.861 34.090 ( 0.081 -1.666 -6.378) 6.592 34.090 ( 0.081 1.666 -6.378) 6.592 35.056 ( 0.263 -0.410 2.027) 2.085 35.056 ( 0.263 0.410 2.027) 2.085 35.134 ( 0.781 -0.490 1.507) 1.767 35.134 ( 0.781 0.490 1.507) 1.767 35.649 ( -0.713 -2.109 -0.418) 2.265 35.649 ( -0.713 2.109 -0.418) 2.265 35.679 ( 1.129 -1.418 -1.339) 2.254 35.679 ( 1.129 1.418 -1.339) 2.254 36.246 ( 0.655 -1.491 11.051) 11.171 36.246 ( 0.655 1.491 11.051) 11.171 36.482 ( -0.424 -1.378 -9.615) 9.722 36.482 ( -0.424 1.378 -9.615) 9.722 37.914 ( -1.103 -17.452 19.857) 26.460 37.914 ( -1.103 17.452 19.857) 26.460 38.589 ( 0.276 -9.988 -8.347) 13.019 38.589 ( 0.276 9.988 -8.347) 13.019 ======================= Grid point 110 (62/69) ======================= q-point: ( 0.11 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.880 -10.717 7.075) 14.568 1.536 ( 6.880 10.717 7.075) 14.568 1.770 ( 7.225 -8.428 -7.503) 13.399 1.770 ( 7.225 8.428 -7.503) 13.399 1.974 ( 8.511 -0.608 -1.601) 8.681 1.974 ( 8.511 0.608 -1.601) 8.681 2.288 ( -0.207 -3.211 2.063) 3.822 2.288 ( -0.207 3.211 2.063) 3.822 2.613 ( -7.598 -7.488 -5.507) 12.005 2.613 ( -7.598 7.488 -5.507) 12.005 2.811 ( -1.415 -5.894 -2.110) 6.418 2.811 ( -1.415 5.894 -2.110) 6.418 2.953 ( -2.269 -2.508 -0.159) 3.386 2.953 ( -2.269 2.508 -0.159) 3.386 3.038 ( 4.357 -3.186 10.227) 11.564 3.038 ( 4.357 3.186 10.227) 11.564 3.172 ( 3.446 -3.268 -3.154) 5.701 3.172 ( 3.446 3.268 -3.154) 5.701 3.247 ( -0.010 -3.025 -3.220) 4.418 3.247 ( -0.010 3.025 -3.220) 4.418 3.328 ( 1.162 -3.843 0.279) 4.025 3.328 ( 1.162 3.843 0.279) 4.025 3.438 ( 3.426 -8.814 3.287) 10.011 3.438 ( 3.426 8.814 3.287) 10.011 3.635 ( 1.278 -2.085 2.685) 3.632 3.635 ( 1.278 2.085 2.685) 3.632 3.753 ( 6.085 -3.189 -1.342) 7.000 3.753 ( 6.085 3.189 -1.342) 7.000 3.841 ( 7.903 -2.829 -2.292) 8.702 3.841 ( 7.903 2.829 -2.292) 8.702 4.003 ( -1.054 -0.886 -1.040) 1.726 4.003 ( -1.054 0.886 -1.040) 1.726 4.090 ( -3.163 -8.896 2.668) 9.811 4.090 ( -3.163 8.896 2.668) 9.811 4.204 ( 2.648 -4.645 2.294) 5.818 4.204 ( 2.648 4.645 2.294) 5.818 4.571 ( -1.389 -8.689 -0.953) 8.851 4.571 ( -1.389 8.689 -0.953) 8.851 4.712 ( 4.473 -7.216 -0.378) 8.498 4.712 ( 4.473 7.216 -0.378) 8.498 4.855 ( -2.669 -1.350 -0.084) 2.993 4.855 ( -2.669 1.350 -0.084) 2.993 5.104 ( -3.614 -1.559 -0.278) 3.946 5.104 ( -3.614 1.559 -0.278) 3.946 5.160 ( 0.344 -5.351 0.112) 5.363 5.160 ( 0.344 5.351 0.112) 5.363 5.315 ( -2.376 -9.848 -5.037) 11.314 5.315 ( -2.376 9.848 -5.037) 11.314 5.357 ( 5.496 -1.364 0.550) 5.690 5.357 ( 5.496 1.364 0.550) 5.690 5.461 ( 3.268 -7.773 2.535) 8.805 5.461 ( 3.268 7.773 2.535) 8.805 5.674 ( -5.080 -2.224 4.504) 7.144 5.674 ( -5.080 2.224 4.504) 7.144 5.833 ( 1.367 -4.622 -2.324) 5.352 5.833 ( 1.367 4.622 -2.324) 5.352 5.956 ( -1.816 -4.472 -5.924) 7.641 5.956 ( -1.816 4.472 -5.924) 7.641 6.032 ( -0.179 -5.085 3.643) 6.258 6.032 ( -0.179 5.085 3.643) 6.258 6.323 ( -2.765 -3.638 -0.064) 4.570 6.323 ( -2.765 3.638 -0.064) 4.570 6.378 ( 0.348 -3.867 2.180) 4.453 6.378 ( 0.348 3.867 2.180) 4.453 6.689 ( 5.705 -1.814 0.998) 6.070 6.689 ( 5.705 1.814 0.998) 6.070 6.909 ( 0.017 -2.719 1.915) 3.325 6.909 ( 0.017 2.719 1.915) 3.325 7.139 ( -1.253 -2.980 0.244) 3.242 7.139 ( -1.253 2.980 0.244) 3.242 7.207 ( 0.626 -2.784 -1.866) 3.409 7.207 ( 0.626 2.784 -1.866) 3.409 7.550 ( -4.119 -2.048 -2.473) 5.223 7.550 ( -4.119 2.048 -2.473) 5.223 7.661 ( -0.473 -3.532 0.373) 3.583 7.661 ( -0.473 3.532 0.373) 3.583 8.648 ( -16.152 -4.822 0.510) 16.864 8.648 ( -16.152 4.822 0.510) 16.864 8.702 ( -13.403 -6.654 -1.110) 15.005 8.702 ( -13.403 6.654 -1.110) 15.005 9.030 ( -1.894 -4.239 -0.499) 4.670 9.030 ( -1.894 4.239 -0.499) 4.670 9.178 ( 1.904 -4.658 0.355) 5.044 9.178 ( 1.904 4.658 0.355) 5.044 9.252 ( 4.005 -0.557 -0.012) 4.043 9.252 ( 4.005 0.557 -0.012) 4.043 9.293 ( 5.504 -3.437 0.788) 6.537 9.293 ( 5.504 3.437 0.788) 6.537 9.510 ( 1.692 -3.361 1.101) 3.921 9.510 ( 1.692 3.361 1.101) 3.921 9.626 ( 4.669 -4.307 -0.871) 6.412 9.626 ( 4.669 4.307 -0.871) 6.412 10.087 ( 1.020 -1.859 0.046) 2.121 10.087 ( 1.020 1.859 0.046) 2.121 10.385 ( -6.772 -1.865 -1.045) 7.101 10.385 ( -6.772 1.865 -1.045) 7.101 10.609 ( -9.124 -4.375 1.831) 10.282 10.609 ( -9.124 4.375 1.831) 10.282 10.677 ( -6.550 -1.928 -1.153) 6.925 10.677 ( -6.550 1.928 -1.153) 6.925 10.934 ( -5.516 -2.619 -0.114) 6.107 10.934 ( -5.516 2.619 -0.114) 6.107 11.046 ( -3.690 -2.454 0.611) 4.474 11.046 ( -3.690 2.454 0.611) 4.474 11.409 ( 8.409 -1.758 -0.334) 8.598 11.409 ( 8.409 1.758 -0.334) 8.598 11.498 ( 8.738 -2.685 0.133) 9.143 11.498 ( 8.738 2.685 0.133) 9.143 12.168 ( 3.761 -3.324 0.792) 5.082 12.168 ( 3.761 3.324 0.792) 5.082 12.283 ( -0.148 -2.349 -0.559) 2.419 12.283 ( -0.148 2.349 -0.559) 2.419 12.497 ( -4.571 -2.579 0.870) 5.320 12.497 ( -4.571 2.579 0.870) 5.320 12.531 ( -2.854 -3.329 -0.610) 4.427 12.531 ( -2.854 3.329 -0.610) 4.427 12.818 ( 0.206 -5.833 0.271) 5.843 12.818 ( 0.206 5.833 0.271) 5.843 12.906 ( 1.427 -5.520 -0.713) 5.746 12.906 ( 1.427 5.520 -0.713) 5.746 13.385 ( 5.699 -0.847 -0.326) 5.771 13.385 ( 5.699 0.847 -0.326) 5.771 13.453 ( 5.381 -2.368 0.336) 5.889 13.453 ( 5.381 2.368 0.336) 5.889 14.254 ( -2.731 -2.324 0.007) 3.586 14.254 ( -2.731 2.324 0.007) 3.586 14.328 ( -4.757 -3.334 -0.740) 5.856 14.328 ( -4.757 3.334 -0.740) 5.856 14.545 ( 4.727 -4.432 1.201) 6.590 14.545 ( 4.727 4.432 1.201) 6.590 14.728 ( 2.361 -5.812 -0.599) 6.302 14.728 ( 2.361 5.812 -0.599) 6.302 14.988 ( 11.264 -7.614 0.067) 13.596 14.988 ( 11.264 7.614 0.067) 13.596 15.038 ( 11.531 -6.964 -1.108) 13.517 15.038 ( 11.531 6.964 -1.108) 13.517 15.545 ( -2.046 -8.977 1.832) 9.388 15.545 ( -2.046 8.977 1.832) 9.388 15.694 ( -5.059 -9.030 -2.317) 10.607 15.694 ( -5.059 9.030 -2.317) 10.607 15.885 ( 2.110 -3.488 -2.680) 4.879 15.885 ( 2.110 3.488 -2.680) 4.879 15.981 ( 0.452 -5.000 3.953) 6.390 15.981 ( 0.452 5.000 3.953) 6.390 16.607 ( 2.093 -1.275 0.276) 2.466 16.607 ( 2.093 1.275 0.276) 2.466 16.672 ( 3.999 -1.252 0.636) 4.238 16.672 ( 3.999 1.252 0.636) 4.238 17.378 ( -0.567 -0.477 -0.097) 0.747 17.378 ( -0.567 0.477 -0.097) 0.747 17.404 ( 0.500 -0.672 -0.270) 0.880 17.404 ( 0.500 0.672 -0.270) 0.880 19.830 ( 1.231 -0.645 -0.322) 1.426 19.830 ( 1.231 0.645 -0.322) 1.426 20.022 ( 2.437 -0.701 0.486) 2.582 20.022 ( 2.437 0.701 0.486) 2.582 20.581 ( -2.516 -1.453 1.194) 3.141 20.581 ( -2.516 1.453 1.194) 3.141 20.797 ( 0.010 -1.041 -0.922) 1.391 20.797 ( 0.010 1.041 -0.922) 1.391 22.093 ( 3.007 -0.386 -1.440) 3.356 22.093 ( 3.007 0.386 -1.440) 3.356 22.189 ( 2.795 -1.089 1.193) 3.228 22.189 ( 2.795 1.089 1.193) 3.228 23.046 ( -3.758 -1.402 -0.532) 4.046 23.046 ( -3.758 1.402 -0.532) 4.046 23.362 ( -8.332 -0.590 0.700) 8.382 23.362 ( -8.332 0.590 0.700) 8.382 26.621 ( 12.979 -0.843 0.209) 13.008 26.621 ( 12.979 0.843 0.209) 13.008 26.687 ( 15.359 -1.070 -0.308) 15.399 26.687 ( 15.359 1.070 -0.308) 15.399 29.106 ( -11.780 -4.028 0.370) 12.455 29.106 ( -11.780 4.028 0.370) 12.455 29.176 ( -13.701 -2.927 -0.790) 14.033 29.176 ( -13.701 2.927 -0.790) 14.033 30.307 ( 7.873 -5.297 0.459) 9.500 30.307 ( 7.873 5.297 0.459) 9.500 30.557 ( 2.468 -3.604 0.983) 4.478 30.557 ( 2.468 3.604 0.983) 4.478 30.905 ( 3.838 -0.793 -0.460) 3.946 30.905 ( 3.838 0.793 -0.460) 3.946 31.087 ( 3.503 -2.158 -0.020) 4.115 31.087 ( 3.503 2.158 -0.020) 4.115 31.826 ( 1.562 -9.114 -1.258) 9.332 31.826 ( 1.562 9.114 -1.258) 9.332 31.982 ( 0.681 -9.186 1.964) 9.418 31.982 ( 0.681 9.186 1.964) 9.418 32.166 ( -7.732 -3.872 -0.397) 8.657 32.166 ( -7.732 3.872 -0.397) 8.657 32.263 ( -4.567 -2.882 -0.232) 5.406 32.263 ( -4.567 2.882 -0.232) 5.406 32.765 ( 9.721 -0.983 4.770) 10.873 32.765 ( 9.721 0.983 4.770) 10.873 32.916 ( 9.816 -0.594 -3.104) 10.312 32.916 ( 9.816 0.594 -3.104) 10.312 33.821 ( -2.152 -0.292 -0.049) 2.173 33.821 ( -2.152 0.292 -0.049) 2.173 34.029 ( -3.081 -0.253 0.585) 3.146 34.029 ( -3.081 0.253 0.585) 3.146 35.026 ( -3.569 -1.766 -0.827) 4.067 35.026 ( -3.569 1.766 -0.827) 4.067 35.181 ( 3.523 -1.428 -0.797) 3.884 35.181 ( 3.523 1.428 -0.797) 3.884 35.652 ( 1.308 -3.376 0.301) 3.633 35.652 ( 1.308 3.376 0.301) 3.633 35.714 ( 4.427 -2.261 -0.766) 5.029 35.714 ( 4.427 2.261 -0.766) 5.029 36.338 ( 0.656 -0.471 -5.894) 5.949 36.338 ( 0.656 0.471 -5.894) 5.949 36.412 ( 1.252 -0.827 5.346) 5.553 36.412 ( 1.252 0.827 5.346) 5.553 37.976 ( -5.888 -1.276 -0.278) 6.031 37.976 ( -5.888 1.276 -0.278) 6.031 38.457 ( -9.859 -0.634 0.446) 9.890 38.457 ( -9.859 0.634 0.446) 9.890 ======================= Grid point 112 (63/69) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 8.577 -9.121 -11.904) 17.276 1.694 ( 8.577 9.121 -11.904) 17.276 1.842 ( 10.427 -3.098 2.348) 11.129 1.842 ( 10.427 3.098 2.348) 11.129 2.110 ( 6.667 -6.565 2.883) 9.791 2.110 ( 6.667 6.565 2.883) 9.791 2.302 ( 4.291 -0.830 1.317) 4.565 2.302 ( 4.291 0.830 1.317) 4.565 2.547 ( 2.400 -2.407 -0.939) 3.527 2.547 ( 2.400 2.407 -0.939) 3.527 2.692 ( -3.789 -3.815 -9.180) 10.639 2.692 ( -3.789 3.815 -9.180) 10.639 2.904 ( -1.779 -4.648 -2.896) 5.758 2.904 ( -1.779 4.648 -2.896) 5.758 3.086 ( 1.849 -5.611 -3.674) 6.957 3.086 ( 1.849 5.611 -3.674) 6.957 3.158 ( -1.269 -4.448 -3.589) 5.855 3.158 ( -1.269 4.448 -3.589) 5.855 3.240 ( 3.466 -2.745 -0.906) 4.513 3.240 ( 3.466 2.745 -0.906) 4.513 3.368 ( 4.437 -2.751 -0.922) 5.301 3.368 ( 4.437 2.751 -0.922) 5.301 3.592 ( 2.827 -4.141 0.610) 5.050 3.592 ( 2.827 4.141 0.610) 5.050 3.732 ( 6.626 -0.996 2.099) 7.022 3.732 ( 6.626 0.996 2.099) 7.022 3.788 ( 3.609 -3.696 1.483) 5.375 3.788 ( 3.609 3.696 1.483) 5.375 3.951 ( 3.037 -5.119 -1.819) 6.224 3.951 ( 3.037 5.119 -1.819) 6.224 4.015 ( 4.941 -4.192 1.161) 6.583 4.015 ( 4.941 4.192 1.161) 6.583 4.093 ( 2.974 -4.548 1.768) 5.714 4.093 ( 2.974 4.548 1.768) 5.714 4.292 ( 1.351 -3.803 5.494) 6.817 4.292 ( 1.351 3.803 5.494) 6.817 4.539 ( 0.789 -9.059 -3.749) 9.835 4.539 ( 0.789 9.059 -3.749) 9.835 4.731 ( 0.343 -6.643 -2.748) 7.197 4.731 ( 0.343 6.643 -2.748) 7.197 4.831 ( -1.715 -4.965 3.584) 6.359 4.831 ( -1.715 4.965 3.584) 6.359 5.056 ( -0.987 -2.871 -1.418) 3.351 5.056 ( -0.987 2.871 -1.418) 3.351 5.157 ( 2.415 -3.245 -4.423) 5.994 5.157 ( 2.415 3.245 -4.423) 5.994 5.275 ( -1.172 -5.843 2.009) 6.288 5.275 ( -1.172 5.843 2.009) 6.288 5.432 ( -1.859 -8.904 1.995) 9.312 5.432 ( -1.859 8.904 1.995) 9.312 5.501 ( -1.019 -1.443 5.215) 5.506 5.501 ( -1.019 1.443 5.215) 5.506 5.712 ( 3.177 -1.207 4.132) 5.350 5.712 ( 3.177 1.207 4.132) 5.350 5.775 ( -1.263 -4.144 -6.688) 7.968 5.775 ( -1.263 4.144 -6.688) 7.968 5.877 ( -4.157 -6.230 3.803) 8.399 5.877 ( -4.157 6.230 3.803) 8.399 6.107 ( 1.974 -0.978 4.604) 5.104 6.107 ( 1.974 0.978 4.604) 5.104 6.286 ( -2.354 -3.153 0.410) 3.956 6.286 ( -2.354 3.153 0.410) 3.956 6.398 ( -1.667 -5.876 2.732) 6.691 6.398 ( -1.667 5.876 2.732) 6.691 6.787 ( 3.807 -2.003 0.366) 4.317 6.787 ( 3.807 2.003 0.366) 4.317 6.965 ( 4.295 -2.402 0.383) 4.936 6.965 ( 4.295 2.402 0.383) 4.936 7.090 ( -2.101 -2.009 -1.577) 3.307 7.090 ( -2.101 2.009 -1.577) 3.307 7.218 ( 2.575 -1.027 -0.252) 2.783 7.218 ( 2.575 1.027 -0.252) 2.783 7.431 ( -6.014 -2.495 -3.294) 7.297 7.431 ( -6.014 2.495 -3.294) 7.297 7.638 ( -1.680 -4.920 -0.625) 5.236 7.638 ( -1.680 4.920 -0.625) 5.236 8.349 ( -20.290 -7.223 -0.178) 21.538 8.349 ( -20.290 7.223 -0.178) 21.538 8.460 ( -15.582 -8.109 -0.404) 17.571 8.460 ( -15.582 8.109 -0.404) 17.571 9.029 ( 1.487 -3.067 0.123) 3.411 9.029 ( 1.487 3.067 0.123) 3.411 9.199 ( 0.804 -1.367 0.666) 1.721 9.199 ( 0.804 1.367 0.666) 1.721 9.331 ( 4.398 -0.338 1.641) 4.706 9.331 ( 4.398 0.338 1.641) 4.706 9.395 ( 5.511 -2.727 1.308) 6.287 9.395 ( 5.511 2.727 1.308) 6.287 9.551 ( 2.895 -4.996 -0.475) 5.793 9.551 ( 2.895 4.996 -0.475) 5.793 9.684 ( 3.150 -4.768 0.090) 5.715 9.684 ( 3.150 4.768 0.090) 5.715 10.076 ( -1.308 -0.720 -2.263) 2.712 10.076 ( -1.308 0.720 -2.263) 2.712 10.234 ( -10.588 -1.991 -0.886) 10.810 10.234 ( -10.588 1.991 -0.886) 10.810 10.439 ( -12.407 -5.773 -0.889) 13.713 10.439 ( -12.407 5.773 -0.889) 13.713 10.582 ( -6.418 -4.448 2.350) 8.154 10.582 ( -6.418 4.448 2.350) 8.154 10.838 ( -5.546 -2.830 -0.021) 6.226 10.838 ( -5.546 2.830 -0.021) 6.226 10.966 ( -6.755 -1.144 0.614) 6.879 10.966 ( -6.755 1.144 0.614) 6.879 11.563 ( 10.857 -0.604 -0.334) 10.879 11.563 ( 10.857 0.604 -0.334) 10.879 11.666 ( 11.030 -1.572 0.282) 11.145 11.666 ( 11.030 1.572 0.282) 11.145 12.228 ( 2.632 -4.143 -1.638) 5.175 12.228 ( 2.632 4.143 -1.638) 5.175 12.274 ( -0.520 -5.657 1.592) 5.900 12.274 ( -0.520 5.657 1.592) 5.900 12.428 ( -4.117 -3.698 0.063) 5.534 12.428 ( -4.117 3.698 0.063) 5.534 12.479 ( -2.902 -3.963 0.230) 4.917 12.479 ( -2.902 3.963 0.230) 4.917 12.839 ( 1.086 -4.859 -0.171) 4.982 12.839 ( 1.086 4.859 -0.171) 4.982 12.909 ( 0.183 -3.691 -0.339) 3.711 12.909 ( 0.183 3.691 -0.339) 3.711 13.491 ( 7.577 -6.156 -0.024) 9.763 13.491 ( 7.577 6.156 -0.024) 9.763 13.557 ( 6.995 -5.900 0.088) 9.151 13.557 ( 6.995 5.900 0.088) 9.151 14.219 ( -2.608 -6.668 -0.152) 7.161 14.219 ( -2.608 6.668 -0.152) 7.161 14.244 ( -1.551 -3.560 -0.294) 3.894 14.244 ( -1.551 3.560 -0.294) 3.894 14.659 ( 6.305 -10.605 -1.740) 12.460 14.659 ( 6.305 10.605 -1.740) 12.460 14.744 ( -0.659 -7.927 1.259) 8.054 14.744 ( -0.659 7.927 1.259) 8.054 15.153 ( 8.111 -1.703 -0.005) 8.288 15.153 ( 8.111 1.703 -0.005) 8.288 15.199 ( 9.139 -5.296 -1.159) 10.626 15.199 ( 9.139 5.296 -1.159) 10.626 15.537 ( -0.595 -4.567 0.469) 4.629 15.537 ( -0.595 4.567 0.469) 4.629 15.610 ( -2.731 -1.814 0.655) 3.344 15.610 ( -2.731 1.814 0.655) 3.344 15.895 ( 3.631 -1.298 -2.589) 4.645 15.895 ( 3.631 1.298 -2.589) 4.645 16.069 ( 2.797 -2.744 5.688) 6.907 16.069 ( 2.797 2.744 5.688) 6.907 16.639 ( 1.648 -0.408 -0.088) 1.700 16.639 ( 1.648 0.408 -0.088) 1.700 16.750 ( 3.061 -1.970 1.679) 4.009 16.750 ( 3.061 1.970 1.679) 4.009 17.370 ( 0.367 -0.732 -0.510) 0.965 17.370 ( 0.367 0.732 -0.510) 0.965 17.410 ( 0.467 -0.384 0.003) 0.605 17.410 ( 0.467 0.384 0.003) 0.605 19.863 ( 3.340 -1.646 0.045) 3.724 19.863 ( 3.340 1.646 0.045) 3.724 20.094 ( 5.139 -1.707 1.639) 5.658 20.094 ( 5.139 1.707 1.639) 5.658 20.540 ( -4.397 -1.674 1.251) 4.869 20.540 ( -4.397 1.674 1.251) 4.869 20.781 ( -1.150 -1.303 -0.380) 1.779 20.781 ( -1.150 1.303 -0.380) 1.779 22.139 ( 6.022 -0.696 -1.941) 6.366 22.139 ( 6.022 0.696 -1.941) 6.366 22.270 ( 5.445 -0.768 1.049) 5.598 22.270 ( 5.445 0.768 1.049) 5.598 22.961 ( -6.621 -2.774 -0.040) 7.179 22.961 ( -6.621 2.774 -0.040) 7.179 23.206 ( -11.430 -1.612 -0.023) 11.543 23.206 ( -11.430 1.612 -0.023) 11.543 26.880 ( 19.987 -2.858 -1.923) 20.282 26.880 ( 19.987 2.858 -1.923) 20.282 27.019 ( 23.897 -7.034 4.315) 25.282 27.019 ( 23.897 7.034 4.315) 25.282 28.849 ( -19.291 -6.964 -1.547) 20.568 28.849 ( -19.291 6.964 -1.547) 20.568 28.917 ( -19.046 -8.218 1.165) 20.776 28.917 ( -19.046 8.218 1.165) 20.776 30.415 ( 8.889 -9.533 -3.460) 13.486 30.415 ( 8.889 9.533 -3.460) 13.486 30.644 ( 2.721 -7.531 4.172) 9.029 30.644 ( 2.721 7.531 4.172) 9.029 30.997 ( 7.203 -4.841 1.308) 8.777 30.997 ( 7.203 4.841 1.308) 8.777 31.158 ( 5.838 -4.490 -0.236) 7.369 31.158 ( 5.838 4.490 -0.236) 7.369 31.773 ( -2.615 -9.235 -4.862) 10.759 31.773 ( -2.615 9.235 -4.862) 10.759 31.941 ( -9.194 -1.896 1.057) 9.447 31.941 ( -9.194 1.896 1.057) 9.447 32.187 ( -0.232 -2.246 3.745) 4.373 32.187 ( -0.232 2.246 3.745) 4.373 32.255 ( 1.329 -13.495 13.455) 19.102 32.255 ( 1.329 13.495 13.455) 19.102 32.990 ( 11.057 -1.624 4.107) 11.906 32.990 ( 11.057 1.624 4.107) 11.906 33.064 ( 10.946 -1.636 -0.264) 11.070 33.064 ( 10.946 1.636 -0.264) 11.070 33.756 ( -3.686 -1.328 -2.098) 4.444 33.756 ( -3.686 1.328 -2.098) 4.444 34.002 ( -6.019 -1.636 5.941) 8.614 34.002 ( -6.019 1.636 5.941) 8.614 34.956 ( -2.475 -1.430 -2.116) 3.556 34.956 ( -2.475 1.430 -2.116) 3.556 35.208 ( 3.077 -1.411 -3.479) 4.854 35.208 ( 3.077 1.411 -3.479) 4.854 35.696 ( 2.687 -4.051 1.815) 5.189 35.696 ( 2.687 4.051 1.815) 5.189 35.788 ( 5.387 -2.846 -0.103) 6.093 35.788 ( 5.387 2.846 -0.103) 6.093 36.245 ( 2.514 -0.556 -11.324) 11.613 36.245 ( 2.514 0.556 -11.324) 11.613 36.517 ( 0.012 -0.229 6.348) 6.352 36.517 ( 0.012 0.229 6.348) 6.352 37.755 ( -5.977 -14.569 -17.265) 23.368 37.755 ( -5.977 14.569 -17.265) 23.368 38.323 ( -15.020 -9.033 9.137) 19.766 38.323 ( -15.020 9.033 9.137) 19.766 ======================= Grid point 114 (64/69) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 7.922 -9.526 -5.836) 13.695 1.675 ( 7.922 9.526 -5.836) 13.695 2.000 ( 6.339 -12.630 -2.188) 14.299 2.000 ( 6.339 12.630 -2.188) 14.299 2.222 ( 3.409 -2.053 2.249) 4.571 2.222 ( 3.409 2.053 2.249) 4.571 2.440 ( -1.696 -4.620 -6.157) 7.882 2.440 ( -1.696 4.620 -6.157) 7.882 2.499 ( 8.071 -4.983 -2.603) 9.836 2.499 ( 8.071 4.983 -2.603) 9.836 2.650 ( 4.895 -3.560 1.572) 6.254 2.650 ( 4.895 3.560 1.572) 6.254 2.840 ( 0.310 -2.180 -4.140) 4.689 2.840 ( 0.310 2.180 -4.140) 4.689 3.071 ( -1.603 -5.502 -6.965) 9.019 3.071 ( -1.603 5.502 -6.965) 9.019 3.131 ( 4.071 -1.125 -1.385) 4.445 3.131 ( 4.071 1.125 -1.385) 4.445 3.268 ( 6.661 -2.846 -3.853) 8.205 3.268 ( 6.661 2.846 -3.853) 8.205 3.436 ( 0.516 -2.854 0.487) 2.941 3.436 ( 0.516 2.854 0.487) 2.941 3.567 ( 2.804 -6.144 -2.384) 7.162 3.567 ( 2.804 6.144 -2.384) 7.162 3.757 ( -1.750 -5.162 -5.566) 7.790 3.757 ( -1.750 5.162 -5.566) 7.790 3.880 ( 1.009 -0.824 0.926) 1.598 3.880 ( 1.009 0.824 0.926) 1.598 3.974 ( 4.769 -3.584 -0.432) 5.981 3.974 ( 4.769 3.584 -0.432) 5.981 4.093 ( 2.083 -3.335 4.580) 6.036 4.093 ( 2.083 3.335 4.580) 6.036 4.238 ( 9.592 -5.456 0.424) 11.043 4.238 ( 9.592 5.456 0.424) 11.043 4.381 ( 2.343 -4.096 5.957) 7.599 4.381 ( 2.343 4.096 5.957) 7.599 4.505 ( -1.124 -3.742 -0.454) 3.934 4.505 ( -1.124 3.742 -0.454) 3.934 4.729 ( 1.340 -3.787 0.134) 4.019 4.729 ( 1.340 3.787 0.134) 4.019 4.828 ( -1.714 -4.753 1.326) 5.224 4.828 ( -1.714 4.753 1.326) 5.224 5.032 ( -1.599 -3.155 -5.566) 6.595 5.032 ( -1.599 3.155 -5.566) 6.595 5.116 ( 1.385 -4.791 -4.984) 7.051 5.116 ( 1.385 4.791 -4.984) 7.051 5.273 ( -3.844 -1.173 3.271) 5.182 5.273 ( -3.844 1.173 3.271) 5.182 5.378 ( -1.610 -7.099 -0.895) 7.334 5.378 ( -1.610 7.099 -0.895) 7.334 5.586 ( -0.925 -6.774 4.637) 8.261 5.586 ( -0.925 6.774 4.637) 8.261 5.675 ( -0.659 -4.253 0.796) 4.377 5.675 ( -0.659 4.253 0.796) 4.377 5.831 ( -0.072 -3.001 4.315) 5.256 5.831 ( -0.072 3.001 4.315) 5.256 5.911 ( 2.081 -1.688 6.512) 7.041 5.911 ( 2.081 1.688 6.512) 7.041 6.156 ( -2.110 -3.092 4.103) 5.554 6.156 ( -2.110 3.092 4.103) 5.554 6.255 ( -1.343 -2.356 0.172) 2.718 6.255 ( -1.343 2.356 0.172) 2.718 6.395 ( -2.182 -3.625 1.635) 4.536 6.395 ( -2.182 3.625 1.635) 4.536 6.814 ( 2.255 -0.866 -3.124) 3.949 6.814 ( 2.255 0.866 -3.124) 3.949 6.931 ( -2.948 -1.612 -4.648) 5.735 6.931 ( -2.948 1.612 -4.648) 5.735 7.124 ( 3.735 -4.396 -0.321) 5.777 7.124 ( 3.735 4.396 -0.321) 5.777 7.278 ( 4.026 -3.643 0.717) 5.477 7.278 ( 4.026 3.643 0.717) 5.477 7.330 ( -2.969 -1.612 0.370) 3.399 7.330 ( -2.969 1.612 0.370) 3.399 7.613 ( -1.704 -4.831 0.182) 5.126 7.613 ( -1.704 4.831 0.182) 5.126 8.076 ( -13.892 -6.974 1.497) 15.616 8.076 ( -13.892 6.974 1.497) 15.616 8.237 ( -11.909 -8.531 -0.259) 14.652 8.237 ( -11.909 8.531 -0.259) 14.652 9.060 ( 2.080 -1.999 -0.324) 2.903 9.060 ( 2.080 1.999 -0.324) 2.903 9.218 ( 0.432 -1.014 0.700) 1.306 9.218 ( 0.432 1.014 0.700) 1.306 9.418 ( 4.000 -1.202 1.854) 4.569 9.418 ( 4.000 1.202 1.854) 4.569 9.478 ( 3.203 -3.213 1.119) 4.672 9.478 ( 3.203 3.213 1.119) 4.672 9.603 ( 5.064 -4.384 -0.518) 6.718 9.603 ( 5.064 4.384 -0.518) 6.718 9.725 ( 1.559 -4.404 0.596) 4.710 9.725 ( 1.559 4.404 0.596) 4.710 9.972 ( -11.204 -1.050 0.391) 11.260 9.972 ( -11.204 1.050 0.391) 11.260 10.077 ( -5.590 -1.550 -2.729) 6.411 10.077 ( -5.590 1.550 -2.729) 6.411 10.247 ( -7.877 -5.635 -2.890) 10.107 10.247 ( -7.877 5.635 -2.890) 10.107 10.507 ( -6.706 -4.037 1.315) 7.937 10.507 ( -6.706 4.037 1.315) 7.937 10.785 ( -1.954 -1.955 1.247) 3.032 10.785 ( -1.954 1.955 1.247) 3.032 10.879 ( -4.768 -2.938 0.561) 5.628 10.879 ( -4.768 2.938 0.561) 5.628 11.714 ( 8.534 -2.077 -0.128) 8.784 11.714 ( 8.534 2.077 -0.128) 8.784 11.808 ( 6.418 -1.365 0.016) 6.561 11.808 ( 6.418 1.365 0.016) 6.561 12.210 ( -0.605 -4.816 -1.770) 5.167 12.210 ( -0.605 4.816 -1.770) 5.167 12.288 ( -1.298 -1.082 0.880) 1.905 12.288 ( -1.298 1.082 0.880) 1.905 12.410 ( 1.892 -2.944 0.473) 3.531 12.410 ( 1.892 2.944 0.473) 3.531 12.449 ( -1.509 -3.387 0.207) 3.714 12.449 ( -1.509 3.387 0.207) 3.714 12.829 ( -1.247 -4.610 -0.625) 4.817 12.829 ( -1.247 4.610 -0.625) 4.817 12.907 ( -0.591 -3.589 0.029) 3.638 12.907 ( -0.591 3.589 0.029) 3.638 13.601 ( 6.061 -7.638 0.130) 9.751 13.601 ( 6.061 7.638 0.130) 9.751 13.652 ( 4.756 -6.666 -0.163) 8.191 13.652 ( 4.756 6.666 -0.163) 8.191 14.211 ( 2.505 -1.939 0.213) 3.175 14.211 ( 2.505 1.939 0.213) 3.175 14.266 ( 3.671 -3.080 -0.305) 4.802 14.266 ( 3.671 3.080 -0.305) 4.802 14.666 ( -1.388 -5.924 -2.476) 6.569 14.666 ( -1.388 5.924 -2.476) 6.569 14.722 ( -4.524 -4.408 1.500) 6.492 14.722 ( -4.524 4.408 1.500) 6.492 15.217 ( 0.749 -7.684 -0.652) 7.748 15.217 ( 0.749 7.684 -0.652) 7.748 15.275 ( 1.827 -3.566 0.278) 4.017 15.275 ( 1.827 3.566 0.278) 4.017 15.538 ( 2.476 -0.763 -1.604) 3.048 15.538 ( 2.476 0.763 -1.604) 3.048 15.637 ( 2.995 -1.175 1.086) 3.395 15.637 ( 2.995 1.175 1.086) 3.395 15.958 ( 6.405 -1.446 -0.514) 6.586 15.958 ( 6.405 1.446 -0.514) 6.586 16.158 ( 1.256 -1.873 3.368) 4.053 16.158 ( 1.256 1.873 3.368) 4.053 16.659 ( 0.588 -0.961 0.779) 1.370 16.659 ( 0.588 0.961 0.779) 1.370 16.779 ( -0.806 -1.628 0.377) 1.855 16.779 ( -0.806 1.628 0.377) 1.855 17.378 ( 1.399 -0.873 -1.131) 2.000 17.378 ( 1.399 0.873 -1.131) 2.000 17.418 ( 0.199 -0.135 0.755) 0.793 17.418 ( 0.199 0.135 0.755) 0.793 19.934 ( 5.385 -2.754 0.172) 6.051 19.934 ( 5.385 2.754 0.172) 6.051 20.193 ( 3.732 -2.902 1.552) 4.976 20.193 ( 3.732 2.902 1.552) 4.976 20.481 ( -4.733 -1.148 1.632) 5.136 20.481 ( -4.733 1.148 1.632) 5.136 20.756 ( -1.752 -1.179 0.348) 2.140 20.756 ( -1.752 1.179 0.348) 2.140 22.245 ( 9.376 -0.371 -0.636) 9.405 22.245 ( 9.376 0.371 -0.636) 9.405 22.366 ( 5.672 -0.368 -0.000) 5.684 22.366 ( 5.672 0.368 -0.000) 5.684 22.847 ( -7.806 -3.546 0.149) 8.575 22.847 ( -7.806 3.546 0.149) 8.575 23.032 ( -10.119 -1.996 -0.238) 10.317 23.032 ( -10.119 1.996 -0.238) 10.317 27.183 ( 22.164 -4.738 -2.428) 22.794 27.183 ( 22.164 4.738 -2.428) 22.794 27.458 ( 22.504 -13.581 5.864) 26.931 27.458 ( 22.504 13.581 5.864) 26.931 28.503 ( -22.137 -6.679 -1.301) 23.159 28.503 ( -22.137 6.679 -1.301) 23.159 28.637 ( -18.609 -10.690 1.988) 21.553 28.637 ( -18.609 10.690 1.988) 21.553 30.511 ( 7.045 -6.867 -1.894) 10.019 30.511 ( 7.045 6.867 -1.894) 10.019 30.710 ( 2.169 -5.070 1.155) 5.635 30.710 ( 2.169 5.070 1.155) 5.635 31.122 ( 5.811 -7.543 1.466) 9.634 31.122 ( 5.811 7.543 1.466) 9.634 31.268 ( 7.656 -5.380 0.486) 9.370 31.268 ( 7.656 5.380 0.486) 9.370 31.642 ( -8.180 -4.880 -1.966) 9.726 31.642 ( -8.180 4.880 -1.966) 9.726 31.838 ( -5.108 -1.931 0.684) 5.503 31.838 ( -5.108 1.931 0.684) 5.503 32.230 ( 2.877 -7.214 3.521) 8.528 32.230 ( 2.877 7.214 3.521) 8.528 32.467 ( -0.747 -16.689 17.312) 24.058 32.467 ( -0.747 16.689 17.312) 24.058 33.129 ( 4.290 -1.633 -1.916) 4.974 33.129 ( 4.290 1.633 -1.916) 4.974 33.254 ( 11.171 -1.450 2.264) 11.489 33.254 ( 11.171 1.450 2.264) 11.489 33.688 ( -3.430 -3.793 0.758) 5.170 33.688 ( -3.430 3.793 0.758) 5.170 33.956 ( -8.608 -1.462 5.473) 10.305 33.956 ( -8.608 1.462 5.473) 10.305 34.924 ( 0.306 -1.129 -0.059) 1.171 34.924 ( 0.306 1.129 -0.059) 1.171 35.199 ( 2.238 -1.175 -5.411) 5.972 35.199 ( 2.238 1.175 -5.411) 5.972 35.770 ( 2.941 -4.130 3.156) 5.972 35.770 ( 2.941 4.130 3.156) 5.972 35.869 ( 4.243 -3.532 0.991) 5.609 35.869 ( 4.243 3.532 0.991) 5.609 36.173 ( 4.479 -1.009 -11.082) 11.996 36.173 ( 4.479 1.009 -11.082) 11.996 36.489 ( -5.689 -1.716 -4.860) 7.677 36.489 ( -5.689 1.716 -4.860) 7.677 37.558 ( 5.535 -12.544 -11.591) 17.954 37.558 ( 5.535 12.544 -11.591) 17.954 38.169 ( -17.092 -8.751 7.193) 20.505 38.169 ( -17.092 8.751 7.193) 20.505 ======================= Grid point 116 (65/69) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 8.822 -7.254 2.390) 11.669 1.817 ( 8.822 7.254 2.390) 11.669 2.032 ( -0.303 -6.110 0.041) 6.118 2.032 ( -0.303 6.110 0.041) 6.118 2.166 ( -3.036 -1.370 -5.614) 6.528 2.166 ( -3.036 1.370 -5.614) 6.528 2.335 ( 0.503 -6.503 -3.663) 7.481 2.335 ( 0.503 6.503 -3.663) 7.481 2.621 ( 3.439 -5.979 -5.131) 8.597 2.621 ( 3.439 5.979 -5.131) 8.597 2.735 ( 6.212 -3.636 1.255) 7.307 2.735 ( 6.212 3.636 1.255) 7.307 2.821 ( -4.534 -4.883 -0.912) 6.726 2.821 ( -4.534 4.883 -0.912) 6.726 3.001 ( 4.525 -5.186 -1.902) 7.141 3.001 ( 4.525 5.186 -1.902) 7.141 3.123 ( -0.418 -4.667 -3.616) 5.919 3.123 ( -0.418 4.667 -3.616) 5.919 3.343 ( -3.759 -3.317 -1.815) 5.332 3.343 ( -3.759 3.317 -1.815) 5.332 3.422 ( 9.180 -2.144 -3.701) 10.128 3.422 ( 9.180 2.144 -3.701) 10.128 3.565 ( -4.494 -3.726 -2.151) 6.222 3.565 ( -4.494 3.726 -2.151) 6.222 3.724 ( 4.582 -2.825 0.091) 5.384 3.724 ( 4.582 2.825 0.091) 5.384 3.845 ( -2.901 -2.254 -1.345) 3.912 3.845 ( -2.901 2.254 -1.345) 3.912 4.056 ( 1.483 -2.783 3.930) 5.039 4.056 ( 1.483 2.783 3.930) 5.039 4.129 ( 0.902 -4.401 -1.510) 4.739 4.129 ( 0.902 4.401 -1.510) 4.739 4.333 ( 1.693 -2.064 0.143) 2.673 4.333 ( 1.693 2.064 0.143) 2.673 4.486 ( 1.921 -2.706 5.115) 6.097 4.486 ( 1.921 2.706 5.115) 6.097 4.530 ( 2.582 -4.555 1.401) 5.420 4.530 ( 2.582 4.555 1.401) 5.420 4.741 ( -1.707 -2.172 2.029) 3.427 4.741 ( -1.707 2.172 2.029) 3.427 4.838 ( 0.836 -4.911 -2.397) 5.529 4.838 ( 0.836 4.911 -2.397) 5.529 4.891 ( -1.051 -2.841 -6.939) 7.571 4.891 ( -1.051 2.841 -6.939) 7.571 5.079 ( -1.672 -2.592 -2.964) 4.278 5.079 ( -1.672 2.592 -2.964) 4.278 5.259 ( -0.256 -3.704 1.866) 4.156 5.259 ( -0.256 3.704 1.866) 4.156 5.393 ( 1.339 -1.563 2.825) 3.495 5.393 ( 1.339 1.563 2.825) 3.495 5.531 ( -4.521 -5.741 -0.530) 7.327 5.531 ( -4.521 5.741 -0.530) 7.327 5.742 ( -0.927 -6.028 4.957) 7.859 5.742 ( -0.927 6.028 4.957) 7.859 5.836 ( 0.022 -4.731 -0.519) 4.759 5.836 ( 0.022 4.731 -0.519) 4.759 6.031 ( 1.135 -2.567 7.858) 8.344 6.031 ( 1.135 2.567 7.858) 8.344 6.167 ( -0.887 -3.812 2.949) 4.901 6.167 ( -0.887 3.812 2.949) 4.901 6.270 ( 2.743 -3.785 -0.223) 4.680 6.270 ( 2.743 3.785 -0.223) 4.680 6.361 ( -3.339 -5.247 1.193) 6.333 6.361 ( -3.339 5.247 1.193) 6.333 6.778 ( -0.265 -2.426 -4.526) 5.142 6.778 ( -0.265 2.426 -4.526) 5.142 6.838 ( -2.177 -1.479 -4.718) 5.402 6.838 ( -2.177 1.479 -4.718) 5.402 7.172 ( 4.802 -4.814 -0.702) 6.836 7.172 ( 4.802 4.814 -0.702) 6.836 7.301 ( -1.607 -2.110 1.000) 2.834 7.301 ( -1.607 2.110 1.000) 2.834 7.376 ( 2.917 -4.020 2.594) 5.603 7.376 ( 2.917 4.020 2.594) 5.603 7.550 ( -5.146 -3.840 -0.710) 6.460 7.550 ( -5.146 3.840 -0.710) 6.460 7.995 ( -1.446 -6.884 3.595) 7.900 7.995 ( -1.446 6.884 3.595) 7.900 8.105 ( -3.952 -7.920 -0.676) 8.877 8.105 ( -3.952 7.920 -0.676) 8.877 9.079 ( 1.156 -1.152 -0.756) 1.798 9.079 ( 1.156 1.152 -0.756) 1.798 9.227 ( -0.047 -0.900 0.452) 1.008 9.227 ( -0.047 0.900 0.452) 1.008 9.480 ( 1.919 -0.292 0.643) 2.045 9.480 ( 1.919 0.292 0.643) 2.045 9.533 ( 1.921 -2.522 1.074) 3.347 9.533 ( 1.921 2.522 1.074) 3.347 9.686 ( 4.597 -2.135 -0.502) 5.093 9.686 ( 4.597 2.135 -0.502) 5.093 9.723 ( -2.144 -2.371 -0.367) 3.217 9.723 ( -2.144 2.371 -0.367) 3.217 9.824 ( -7.096 -1.164 3.204) 7.873 9.824 ( -7.096 1.164 3.204) 7.873 9.971 ( -3.873 -1.936 -1.933) 4.741 9.971 ( -3.873 1.936 -1.933) 4.741 10.173 ( 1.549 -2.165 -2.821) 3.879 10.173 ( 1.549 2.165 -2.821) 3.879 10.406 ( -5.379 -1.789 -0.781) 5.722 10.406 ( -5.379 1.789 -0.781) 5.722 10.792 ( -0.500 -4.064 2.121) 4.612 10.792 ( -0.500 4.064 2.121) 4.612 10.837 ( -1.033 -4.902 0.057) 5.010 10.837 ( -1.033 4.902 0.057) 5.010 11.814 ( 3.975 -2.092 0.275) 4.501 11.814 ( 3.975 2.092 0.275) 4.501 11.861 ( 0.828 -1.167 -0.188) 1.443 11.861 ( 0.828 1.167 -0.188) 1.443 12.189 ( -0.166 -2.324 -0.730) 2.441 12.189 ( -0.166 2.324 -0.730) 2.441 12.270 ( -0.630 -1.503 -0.304) 1.657 12.270 ( -0.630 1.503 -0.304) 1.657 12.429 ( -1.528 -2.161 0.844) 2.778 12.429 ( -1.528 2.161 0.844) 2.778 12.455 ( 2.359 -3.895 -0.860) 4.634 12.455 ( 2.359 3.895 -0.860) 4.634 12.818 ( 0.451 -3.022 0.740) 3.144 12.818 ( 0.451 3.022 0.740) 3.144 12.885 ( -1.676 -2.508 -0.687) 3.094 12.885 ( -1.676 2.508 -0.687) 3.094 13.671 ( 2.619 -4.164 -0.011) 4.919 13.671 ( 2.619 4.164 -0.011) 4.919 13.695 ( 1.090 -3.878 -0.231) 4.035 13.695 ( 1.090 3.878 -0.231) 4.035 14.281 ( 4.160 -4.095 0.827) 5.896 14.281 ( 4.160 4.095 0.827) 5.896 14.324 ( 3.132 -4.107 -0.689) 5.211 14.324 ( 3.132 4.107 -0.689) 5.211 14.595 ( -4.064 -2.194 -0.587) 4.656 14.595 ( -4.064 2.194 -0.587) 4.656 14.661 ( -2.968 -5.569 0.075) 6.311 14.661 ( -2.968 5.569 0.075) 6.311 15.199 ( -0.993 -4.332 -0.535) 4.477 15.199 ( -0.993 4.332 -0.535) 4.477 15.281 ( -0.424 -2.090 0.020) 2.133 15.281 ( -0.424 2.090 0.020) 2.133 15.571 ( 2.456 -0.621 -0.872) 2.679 15.571 ( 2.456 0.621 -0.872) 2.679 15.681 ( 1.432 -1.155 -0.126) 1.845 15.681 ( 1.432 1.155 -0.126) 1.845 16.051 ( 4.389 -1.300 0.522) 4.607 16.051 ( 4.389 1.300 0.522) 4.607 16.180 ( -1.112 -2.242 1.039) 2.710 16.180 ( -1.112 2.242 1.039) 2.710 16.679 ( 0.305 -1.323 1.581) 2.084 16.679 ( 0.305 1.323 1.581) 2.084 16.752 ( -1.422 -0.779 -0.959) 1.884 16.752 ( -1.422 0.779 -0.959) 1.884 17.378 ( 0.210 -0.503 -1.020) 1.157 17.378 ( 0.210 0.503 -1.020) 1.157 17.435 ( 0.637 -0.162 0.654) 0.927 17.435 ( 0.637 0.162 0.654) 0.927 20.021 ( 4.772 -2.212 0.003) 5.260 20.021 ( 4.772 2.212 0.003) 5.260 20.210 ( -1.850 -2.444 -0.181) 3.070 20.210 ( -1.850 2.444 -0.181) 3.070 20.451 ( -2.122 -0.680 2.384) 3.263 20.451 ( -2.122 0.680 2.384) 3.263 20.744 ( -0.278 -0.954 0.458) 1.094 20.744 ( -0.278 0.954 0.458) 1.094 22.392 ( 7.980 -2.487 0.230) 8.362 22.392 ( 7.980 2.487 0.230) 8.362 22.428 ( 2.079 -3.385 -0.256) 3.981 22.428 ( 2.079 3.385 -0.256) 3.981 22.736 ( -5.449 -2.048 -0.272) 5.827 22.736 ( -5.449 2.048 -0.272) 5.827 22.908 ( -4.877 -1.061 0.252) 4.998 22.908 ( -4.877 1.061 0.252) 4.998 27.503 ( 20.424 -6.616 -0.719) 21.481 27.503 ( 20.424 6.616 -0.719) 21.481 27.729 ( 0.966 -12.397 0.582) 12.448 27.729 ( 0.966 12.397 0.582) 12.448 28.228 ( -6.983 -7.931 1.484) 10.671 28.228 ( -6.983 7.931 1.484) 10.671 28.402 ( -13.322 -11.412 1.893) 17.643 28.402 ( -13.322 11.412 1.893) 17.643 30.576 ( 2.717 -3.196 -0.623) 4.241 30.576 ( 2.717 3.196 -0.623) 4.241 30.742 ( 0.948 -2.130 0.075) 2.332 30.742 ( 0.948 2.130 0.075) 2.332 31.213 ( 4.168 -3.822 1.268) 5.795 31.213 ( 4.168 3.822 1.268) 5.795 31.341 ( -0.017 -2.541 -1.592) 2.999 31.341 ( -0.017 2.541 -1.592) 2.999 31.536 ( -2.279 -2.458 0.508) 3.390 31.536 ( -2.279 2.458 0.508) 3.390 31.792 ( -1.920 -1.064 0.931) 2.384 31.792 ( -1.920 1.064 0.931) 2.384 32.355 ( 4.636 -7.675 6.633) 11.153 32.355 ( 4.636 7.675 6.633) 11.153 32.586 ( -4.212 -11.642 11.022) 16.576 32.586 ( -4.212 11.642 11.022) 16.576 33.109 ( -0.522 -0.977 -4.694) 4.823 33.109 ( -0.522 0.977 -4.694) 4.823 33.404 ( 5.394 -1.093 -0.531) 5.530 33.404 ( 5.394 1.093 -0.531) 5.530 33.691 ( 1.555 -3.162 3.011) 4.635 33.691 ( 1.555 3.162 3.011) 4.635 33.867 ( -7.743 -0.491 2.915) 8.288 33.867 ( -7.743 0.491 2.915) 8.288 34.962 ( 1.316 -0.877 3.722) 4.044 34.962 ( 1.316 0.877 3.722) 4.044 35.157 ( 0.920 -0.832 -6.279) 6.401 35.157 ( 0.920 0.832 -6.279) 6.401 35.852 ( 2.326 -3.370 3.660) 5.492 35.852 ( 2.326 3.370 3.660) 5.492 35.937 ( 2.094 -4.373 2.063) 5.270 35.937 ( 2.094 4.373 2.063) 5.270 36.127 ( 4.431 -1.951 -9.710) 10.850 36.127 ( 4.431 1.951 -9.710) 10.850 36.284 ( -6.659 -1.834 -10.211) 12.328 36.284 ( -6.659 1.834 -10.211) 12.328 37.654 ( 12.167 -7.782 -1.264) 14.498 37.654 ( 12.167 7.782 -1.264) 14.498 37.963 ( -15.018 -6.088 2.655) 16.422 37.963 ( -15.018 6.088 2.655) 16.422 ======================= Grid point 118 (66/69) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -11.987 -6.927 1.611) 13.938 1.830 ( -11.987 6.927 1.611) 13.938 1.993 ( 4.801 -4.702 -1.858) 6.973 1.993 ( 4.801 4.702 -1.858) 6.973 2.215 ( 0.432 -4.208 -1.501) 4.489 2.215 ( 0.432 4.208 -1.501) 4.489 2.272 ( -2.642 -4.571 -2.102) 5.682 2.272 ( -2.642 4.571 -2.102) 5.682 2.573 ( -2.975 -1.982 0.976) 3.705 2.573 ( -2.975 1.982 0.976) 3.705 2.667 ( -1.581 -2.930 1.578) 3.685 2.667 ( -1.581 2.930 1.578) 3.685 2.875 ( -5.688 -3.705 -3.312) 7.553 2.875 ( -5.688 3.705 -3.312) 7.553 2.993 ( 6.081 -2.969 -0.208) 6.771 2.993 ( 6.081 2.969 -0.208) 6.771 3.175 ( -1.490 -2.164 -4.974) 5.625 3.175 ( -1.490 2.164 -4.974) 5.625 3.231 ( 3.010 -3.589 4.584) 6.554 3.231 ( 3.010 3.589 4.584) 6.554 3.387 ( -8.848 -2.791 -2.335) 9.567 3.387 ( -8.848 2.791 -2.335) 9.567 3.568 ( 3.253 -4.285 -0.282) 5.387 3.568 ( 3.253 4.285 -0.282) 5.387 3.736 ( -3.442 -3.225 0.439) 4.737 3.736 ( -3.442 3.225 0.439) 4.737 3.817 ( -1.184 -2.897 0.555) 3.178 3.817 ( -1.184 2.897 0.555) 3.178 4.024 ( -7.590 -3.084 1.688) 8.365 4.024 ( -7.590 3.084 1.688) 8.365 4.184 ( 6.897 -5.784 -1.809) 9.181 4.184 ( 6.897 5.784 -1.809) 9.181 4.333 ( -2.614 -1.864 0.870) 3.326 4.333 ( -2.614 1.864 0.870) 3.326 4.530 ( -0.491 -4.209 1.580) 4.522 4.530 ( -0.491 4.209 1.580) 4.522 4.550 ( -0.512 -1.254 -1.529) 2.043 4.550 ( -0.512 1.254 -1.529) 2.043 4.755 ( 1.047 -3.549 -0.432) 3.725 4.755 ( 1.047 3.549 -0.432) 3.725 4.779 ( -1.892 -2.579 2.926) 4.335 4.779 ( -1.892 2.579 2.926) 4.335 4.859 ( -0.522 -6.713 -3.910) 7.786 4.859 ( -0.522 6.713 -3.910) 7.786 5.049 ( 0.865 -1.624 0.109) 1.843 5.049 ( 0.865 1.624 0.109) 1.843 5.280 ( 1.515 -2.152 -0.349) 2.655 5.280 ( 1.515 2.152 -0.349) 2.655 5.441 ( -2.368 -3.210 0.043) 3.989 5.441 ( -2.368 3.210 0.043) 3.989 5.504 ( 4.636 -2.504 1.258) 5.417 5.504 ( 4.636 2.504 1.258) 5.417 5.752 ( -2.318 -3.248 3.851) 5.546 5.752 ( -2.318 3.248 3.851) 5.546 5.859 ( 4.665 -5.328 -2.658) 7.564 5.859 ( 4.665 5.328 -2.658) 7.564 6.083 ( -4.104 -3.362 3.982) 6.633 6.083 ( -4.104 3.362 3.982) 6.633 6.189 ( 0.443 -1.169 1.009) 1.607 6.189 ( 0.443 1.169 1.009) 1.607 6.270 ( -1.031 -3.368 -0.721) 3.596 6.270 ( -1.031 3.368 -0.721) 3.596 6.387 ( 5.327 -3.104 -0.274) 6.171 6.387 ( 5.327 3.104 -0.274) 6.171 6.748 ( 0.183 -0.890 -1.735) 1.959 6.748 ( 0.183 0.890 -1.735) 1.959 6.780 ( 1.056 -1.682 -0.730) 2.116 6.780 ( 1.056 1.682 -0.730) 2.116 7.173 ( -5.619 -3.120 -0.530) 6.449 7.173 ( -5.619 3.120 -0.530) 6.449 7.302 ( 0.874 -1.430 0.706) 1.819 7.302 ( 0.874 1.430 0.706) 1.819 7.404 ( -1.299 -1.745 0.241) 2.189 7.404 ( -1.299 1.745 0.241) 2.189 7.532 ( 3.622 -2.778 0.727) 4.622 7.532 ( 3.622 2.778 0.727) 4.622 8.033 ( 2.083 -6.738 0.851) 7.104 8.033 ( 2.083 6.738 0.851) 7.104 8.110 ( 6.216 -6.324 -1.584) 9.008 8.110 ( 6.216 6.324 -1.584) 9.008 9.079 ( -0.116 -0.277 -0.705) 0.767 9.079 ( -0.116 0.277 -0.705) 0.767 9.227 ( -0.510 -1.162 0.421) 1.337 9.227 ( -0.510 1.162 0.421) 1.337 9.483 ( -2.529 -0.449 0.441) 2.607 9.483 ( -2.529 0.449 0.441) 2.607 9.543 ( -0.962 -1.692 0.085) 1.948 9.543 ( -0.962 1.692 0.085) 1.948 9.657 ( -5.807 -2.985 1.515) 6.703 9.657 ( -5.807 2.985 1.515) 6.703 9.722 ( 1.679 -2.263 0.111) 2.820 9.722 ( 1.679 2.263 0.111) 2.820 9.877 ( 8.558 -0.849 0.345) 8.607 9.877 ( 8.558 0.849 0.345) 8.607 9.947 ( 2.636 -1.380 -1.211) 3.213 9.947 ( 2.636 1.380 -1.211) 3.213 10.156 ( -0.846 -3.675 -1.584) 4.091 10.156 ( -0.846 3.675 -1.584) 4.091 10.392 ( 4.803 -1.670 0.355) 5.098 10.392 ( 4.803 1.670 0.355) 5.098 10.798 ( -1.175 -7.142 1.591) 7.410 10.798 ( -1.175 7.142 1.591) 7.410 10.848 ( 2.654 -6.746 -0.895) 7.304 10.848 ( 2.654 6.746 -0.895) 7.304 11.824 ( -3.435 -1.443 -0.554) 3.767 11.824 ( -3.435 1.443 -0.554) 3.767 11.852 ( -1.553 -1.657 0.640) 2.359 11.852 ( -1.553 1.657 0.640) 2.359 12.183 ( -0.120 -0.739 -0.172) 0.768 12.183 ( -0.120 0.739 -0.172) 0.768 12.273 ( 1.800 -1.245 -0.592) 2.267 12.273 ( 1.800 1.245 -0.592) 2.267 12.416 ( -1.876 -3.506 1.416) 4.221 12.416 ( -1.876 3.506 1.416) 4.221 12.460 ( 0.122 -4.131 -0.792) 4.208 12.460 ( 0.122 4.131 -0.792) 4.208 12.834 ( -0.579 -2.702 -0.600) 2.828 12.834 ( -0.579 2.702 -0.600) 2.828 12.872 ( 2.042 -2.264 0.354) 3.070 12.872 ( 2.042 2.264 0.354) 3.070 13.672 ( -2.422 -2.849 -0.095) 3.741 13.672 ( -2.422 2.849 -0.095) 3.741 13.691 ( -1.315 -2.317 0.057) 2.665 13.691 ( -1.315 2.317 0.057) 2.665 14.295 ( -4.218 -4.150 -0.029) 5.917 14.295 ( -4.218 4.150 -0.029) 5.917 14.312 ( -2.841 -4.826 -0.074) 5.601 14.312 ( -2.841 4.826 -0.074) 5.601 14.580 ( 2.115 -4.589 0.634) 5.092 14.580 ( 2.115 4.589 0.634) 5.092 14.672 ( 4.843 -2.168 -0.819) 5.369 14.672 ( 4.843 2.168 -0.819) 5.369 15.189 ( -0.140 -2.911 0.343) 2.934 15.189 ( -0.140 2.911 0.343) 2.934 15.286 ( 1.565 -2.705 -0.424) 3.154 15.286 ( 1.565 2.705 -0.424) 3.154 15.563 ( -2.795 -0.799 -0.220) 2.915 15.563 ( -2.795 0.799 -0.220) 2.915 15.679 ( -1.340 -1.018 0.009) 1.683 15.679 ( -1.340 1.018 0.009) 1.683 16.064 ( -3.290 -1.155 -0.623) 3.542 16.064 ( -3.290 1.155 -0.623) 3.542 16.183 ( 0.983 -2.402 0.789) 2.713 16.183 ( 0.983 2.402 0.789) 2.713 16.697 ( -0.316 -0.446 0.640) 0.841 16.697 ( -0.316 0.446 0.640) 0.841 16.736 ( 1.011 -1.255 -0.189) 1.623 16.736 ( 1.011 1.255 -0.189) 1.623 17.367 ( -0.716 -0.111 -0.015) 0.724 17.367 ( -0.716 0.111 -0.015) 0.724 17.445 ( 0.256 -0.407 -0.279) 0.556 17.445 ( 0.256 0.407 -0.279) 0.556 20.029 ( -3.615 -1.987 -0.733) 4.190 20.029 ( -3.615 1.987 -0.733) 4.190 20.207 ( 2.242 -1.495 0.113) 2.697 20.207 ( 2.242 1.495 0.113) 2.697 20.452 ( -1.268 -1.049 2.388) 2.900 20.452 ( -1.268 1.049 2.388) 2.900 20.756 ( 1.746 -0.661 -0.587) 1.958 20.756 ( 1.746 0.661 -0.587) 1.958 22.396 ( -6.411 -4.545 -0.132) 7.860 22.396 ( -6.411 4.545 -0.132) 7.860 22.427 ( -3.526 -4.881 -0.159) 6.024 22.427 ( -3.526 4.881 -0.159) 6.024 22.739 ( 6.893 -0.991 -0.528) 6.984 22.739 ( 6.893 0.991 -0.528) 6.984 22.904 ( 3.398 -0.474 0.675) 3.497 22.904 ( 3.398 0.474 0.675) 3.497 27.503 ( -21.792 -6.671 -0.731) 22.802 27.503 ( -21.792 6.671 -0.731) 22.802 27.720 ( 1.837 -11.691 1.313) 11.908 27.720 ( 1.837 11.691 1.313) 11.908 28.254 ( 6.081 -8.072 -0.761) 10.135 28.254 ( 6.081 8.072 -0.761) 10.135 28.412 ( 13.256 -9.607 1.117) 16.409 28.412 ( 13.256 9.607 1.117) 16.409 30.571 ( -3.036 -1.463 -0.054) 3.371 30.571 ( -3.036 1.463 -0.054) 3.371 30.740 ( -1.156 -1.452 0.096) 1.858 30.740 ( -1.156 1.452 0.096) 1.858 31.232 ( -4.704 -2.926 -0.336) 5.550 31.232 ( -4.704 2.926 -0.336) 5.550 31.307 ( -0.212 -2.747 1.251) 3.026 31.307 ( -0.212 2.747 1.251) 3.026 31.553 ( 3.299 -2.544 -0.884) 4.259 31.553 ( 3.299 2.544 -0.884) 4.259 31.803 ( 2.409 -1.920 -0.094) 3.082 31.803 ( 2.409 1.920 -0.094) 3.082 32.405 ( -7.532 -8.118 3.082) 11.495 32.405 ( -7.532 8.118 3.082) 11.495 32.688 ( 8.533 -10.625 3.467) 14.061 32.688 ( 8.533 10.625 3.467) 14.061 33.044 ( -3.316 -0.409 -0.280) 3.352 33.044 ( -3.316 0.409 -0.280) 3.352 33.412 ( -2.118 -0.130 -1.521) 2.611 33.412 ( -2.118 0.130 -1.521) 2.611 33.717 ( -2.322 -2.745 1.460) 3.880 33.717 ( -2.322 2.745 1.460) 3.880 33.888 ( 8.290 -0.103 1.074) 8.360 33.888 ( 8.290 0.103 1.074) 8.360 35.026 ( -0.275 -0.715 5.323) 5.378 35.026 ( -0.275 0.715 5.323) 5.378 35.085 ( -0.484 -0.299 -6.898) 6.921 35.085 ( -0.484 0.299 -6.898) 6.921 35.907 ( -0.322 -2.709 1.997) 3.381 35.907 ( -0.322 2.709 1.997) 3.381 35.958 ( -0.333 -2.637 -2.889) 3.926 35.958 ( -0.333 2.637 -2.889) 3.926 36.093 ( -2.584 -0.715 -1.598) 3.121 36.093 ( -2.584 0.715 -1.598) 3.121 36.132 ( 2.357 -1.570 -3.576) 4.562 36.132 ( 2.357 1.570 -3.576) 4.562 37.619 ( -17.172 -7.440 1.989) 18.820 37.619 ( -17.172 7.440 1.989) 18.820 37.998 ( 17.146 -8.045 -0.531) 18.947 37.998 ( 17.146 8.045 -0.531) 18.947 ======================= Grid point 120 (67/69) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -16.773 -12.143 1.295) 20.747 1.611 ( -16.773 12.143 1.295) 20.747 1.947 ( -14.998 -11.894 1.515) 19.201 1.947 ( -14.998 11.894 1.515) 19.201 2.145 ( 2.382 -4.332 4.126) 6.439 2.145 ( 2.382 4.332 4.126) 6.439 2.303 ( 0.576 -4.003 3.416) 5.293 2.303 ( 0.576 4.003 3.416) 5.293 2.539 ( -0.633 -3.889 -2.660) 4.754 2.539 ( -0.633 3.889 -2.660) 4.754 2.682 ( -5.506 -2.961 0.516) 6.273 2.682 ( -5.506 2.961 0.516) 6.273 2.838 ( 1.434 -1.455 5.664) 6.021 2.838 ( 1.434 1.455 5.664) 6.021 2.919 ( -4.131 -3.985 -6.094) 8.372 2.919 ( -4.131 3.985 -6.094) 8.372 3.146 ( -3.666 -4.062 -1.708) 5.732 3.146 ( -3.666 4.062 -1.708) 5.733 3.220 ( -1.681 -1.513 1.243) 2.580 3.220 ( -1.681 1.513 1.243) 2.580 3.416 ( 5.831 -2.047 5.273) 8.124 3.416 ( 5.831 2.047 5.273) 8.124 3.574 ( -5.808 -2.704 -1.218) 6.521 3.574 ( -5.808 2.704 -1.218) 6.521 3.631 ( -4.420 -6.158 1.682) 7.765 3.631 ( -4.420 6.158 1.682) 7.765 3.834 ( -1.180 -2.952 5.063) 5.978 3.834 ( -1.180 2.952 5.063) 5.978 3.923 ( -6.767 -7.340 1.025) 10.035 3.923 ( -6.767 7.340 1.025) 10.035 4.203 ( -4.906 -6.116 -1.344) 7.954 4.203 ( -4.906 6.116 -1.344) 7.954 4.261 ( -3.354 -4.759 -2.581) 6.369 4.261 ( -3.354 4.759 -2.581) 6.369 4.485 ( -3.355 -2.785 -3.375) 5.514 4.485 ( -3.355 2.785 -3.375) 5.514 4.533 ( 0.641 -4.118 -1.731) 4.513 4.533 ( 0.641 4.118 -1.731) 4.513 4.738 ( -3.554 -4.989 -0.402) 6.138 4.738 ( -3.554 4.989 -0.402) 6.138 4.795 ( -1.162 -4.941 1.826) 5.394 4.795 ( -1.162 4.941 1.826) 5.394 4.881 ( 5.058 -3.383 5.691) 8.332 4.881 ( 5.058 3.383 5.691) 8.332 5.088 ( 2.204 -5.341 0.115) 5.779 5.088 ( 2.204 5.341 0.115) 5.779 5.305 ( 1.864 -4.130 -0.060) 4.532 5.305 ( 1.864 4.130 -0.060) 4.532 5.414 ( 2.758 -0.539 -3.525) 4.508 5.414 ( 2.758 0.539 -3.525) 4.508 5.588 ( 2.917 -3.031 2.092) 4.697 5.588 ( 2.917 3.031 2.092) 4.697 5.743 ( -2.530 -2.222 -2.238) 4.044 5.743 ( -2.530 2.222 -2.238) 4.044 5.882 ( 1.282 -2.885 -1.784) 3.627 5.882 ( 1.282 2.885 -1.784) 3.627 6.039 ( -1.447 -1.204 -1.879) 2.660 6.039 ( -1.447 1.204 -1.879) 2.660 6.201 ( 0.661 -5.606 0.629) 5.680 6.201 ( 0.661 5.606 0.629) 5.680 6.266 ( 2.468 -2.219 -2.246) 4.008 6.266 ( 2.468 2.219 -2.246) 4.008 6.458 ( 4.898 -3.764 -2.926) 6.835 6.458 ( 4.898 3.764 -2.926) 6.835 6.736 ( -1.581 -1.061 2.244) 2.943 6.736 ( -1.581 1.061 2.244) 2.943 6.843 ( 3.008 -1.114 3.323) 4.618 6.843 ( 3.008 1.114 3.323) 4.618 7.098 ( -2.846 -4.493 1.533) 5.535 7.098 ( -2.846 4.493 1.533) 5.535 7.272 ( -5.047 -4.408 1.057) 6.783 7.272 ( -5.047 4.408 1.057) 6.783 7.379 ( 0.414 -2.269 -3.276) 4.007 7.379 ( 0.414 2.269 -3.276) 4.007 7.605 ( 2.566 -4.774 0.712) 5.466 7.605 ( 2.566 4.774 0.712) 5.466 8.119 ( 11.721 -5.597 -2.012) 13.144 8.119 ( 11.721 5.597 -2.012) 13.144 8.245 ( 12.545 -6.933 -0.923) 14.363 8.245 ( 12.545 6.933 -0.923) 14.363 9.063 ( -0.823 -2.081 -0.641) 2.328 9.063 ( -0.823 2.081 -0.641) 2.328 9.222 ( -0.742 -1.541 0.353) 1.746 9.222 ( -0.742 1.541 0.353) 1.746 9.439 ( -3.447 -0.614 0.264) 3.512 9.439 ( -3.447 0.614 0.264) 3.512 9.501 ( -3.589 -3.841 -0.947) 5.341 9.501 ( -3.589 3.841 -0.947) 5.341 9.583 ( -5.300 -4.041 1.187) 6.770 9.583 ( -5.300 4.041 1.187) 6.770 9.742 ( -0.312 -4.041 -0.693) 4.112 9.742 ( -0.312 4.041 -0.693) 4.112 9.976 ( 0.993 -1.039 0.569) 1.545 9.976 ( 0.993 1.039 0.569) 1.545 10.041 ( 11.991 -1.545 -0.272) 12.093 10.041 ( 11.991 1.545 -0.272) 12.093 10.208 ( 9.573 -5.895 0.752) 11.268 10.208 ( 9.573 5.895 0.752) 11.268 10.512 ( 8.290 -2.885 0.524) 8.793 10.512 ( 8.290 2.885 0.524) 8.793 10.803 ( 1.028 -4.654 -0.059) 4.766 10.803 ( 1.028 4.654 -0.059) 4.766 10.893 ( 4.609 -6.154 -0.776) 7.727 10.893 ( 4.609 6.154 -0.776) 7.727 11.720 ( -8.386 -1.733 -0.703) 8.592 11.720 ( -8.386 1.733 -0.703) 8.592 11.800 ( -6.720 -1.365 0.818) 6.906 11.800 ( -6.720 1.365 0.818) 6.906 12.182 ( -0.352 -3.763 0.681) 3.840 12.182 ( -0.352 3.763 0.681) 3.840 12.310 ( 3.626 -0.802 -1.031) 3.854 12.310 ( 3.626 0.802 -1.031) 3.854 12.396 ( -2.476 -4.400 1.294) 5.212 12.396 ( -2.476 4.400 1.294) 5.212 12.463 ( 1.648 -3.587 -0.631) 3.998 12.463 ( 1.648 3.587 -0.631) 3.998 12.821 ( -0.047 -5.516 -0.012) 5.516 12.821 ( -0.047 5.516 -0.012) 5.516 12.908 ( 1.459 -4.090 -0.047) 4.342 12.908 ( 1.459 4.090 -0.047) 4.342 13.606 ( -5.633 -5.870 -0.291) 8.141 13.606 ( -5.633 5.870 -0.291) 8.141 13.645 ( -4.955 -4.396 0.404) 6.636 13.645 ( -4.955 4.396 0.404) 6.636 14.218 ( -3.480 -2.530 -0.365) 4.318 14.218 ( -3.480 2.530 -0.365) 4.318 14.261 ( -2.759 -5.618 0.106) 6.260 14.261 ( -2.759 5.618 0.106) 6.260 14.622 ( 0.322 -9.024 1.513) 9.156 14.622 ( 0.322 9.024 1.513) 9.156 14.749 ( 5.068 -2.959 -1.108) 5.973 14.749 ( 5.068 2.959 -1.108) 5.973 15.190 ( -2.038 -8.833 1.314) 9.160 15.190 ( -2.038 8.833 1.314) 9.160 15.298 ( -0.255 -5.800 -1.334) 5.957 15.298 ( -0.255 5.800 -1.334) 5.957 15.513 ( -2.094 -0.639 0.602) 2.270 15.513 ( -2.094 0.639 0.602) 2.270 15.648 ( -1.949 -1.476 -0.070) 2.446 15.648 ( -1.949 1.476 -0.070) 2.446 15.966 ( -6.928 -2.025 -0.958) 7.281 15.966 ( -6.928 2.025 -0.958) 7.281 16.205 ( 0.941 -3.469 -0.746) 3.671 16.205 ( 0.941 3.469 -0.746) 3.671 16.681 ( -0.920 -1.171 -1.201) 1.913 16.681 ( -0.920 1.171 -1.201) 1.913 16.771 ( 1.527 -2.077 1.258) 2.868 16.771 ( 1.527 2.077 1.258) 2.868 17.358 ( -0.841 -0.121 0.581) 1.029 17.358 ( -0.841 0.121 0.581) 1.029 17.437 ( -0.361 -0.568 -0.835) 1.072 17.437 ( -0.361 0.568 -0.835) 1.072 19.946 ( -4.767 -3.827 -0.852) 6.172 19.946 ( -4.767 3.827 -0.852) 6.172 20.217 ( -2.110 -2.985 -0.527) 3.693 20.217 ( -2.110 2.985 -0.527) 3.693 20.481 ( 2.186 -1.051 1.787) 3.013 20.481 ( 2.186 1.051 1.787) 3.013 20.779 ( 2.452 -0.090 -1.444) 2.847 20.779 ( 2.452 0.090 -1.444) 2.847 22.246 ( -9.935 -1.090 -0.829) 10.029 22.246 ( -9.935 1.090 -0.829) 10.029 22.357 ( -5.624 -1.033 0.787) 5.772 22.357 ( -5.624 1.033 0.787) 5.772 22.864 ( 9.206 -2.734 -1.389) 9.704 22.864 ( 9.206 2.734 -1.389) 9.704 23.012 ( 8.346 -1.576 1.527) 8.630 23.012 ( 8.346 1.576 1.527) 8.630 27.151 ( -22.232 -4.240 0.609) 22.641 27.151 ( -22.232 4.240 0.609) 22.641 27.547 ( -20.240 -17.351 -1.885) 26.726 27.547 ( -20.240 17.351 -1.885) 26.726 28.491 ( 21.108 -6.490 -0.084) 22.083 28.491 ( 21.108 6.490 -0.084) 22.083 28.667 ( 17.951 -11.101 -0.703) 21.117 28.667 ( 17.951 11.101 -0.703) 21.117 30.484 ( -8.220 -5.674 0.664) 10.010 30.484 ( -8.220 5.674 0.664) 10.010 30.717 ( -1.710 -4.173 0.195) 4.515 30.717 ( -1.710 4.173 0.195) 4.515 31.144 ( -5.177 -6.073 -0.448) 7.992 31.144 ( -5.177 6.073 -0.448) 7.992 31.270 ( -6.705 -3.778 0.492) 7.711 31.270 ( -6.705 3.778 0.492) 7.711 31.628 ( 6.882 -4.829 -0.423) 8.418 31.628 ( 6.882 4.829 -0.423) 8.418 31.853 ( 4.823 -2.363 -0.894) 5.445 31.853 ( 4.823 2.363 -0.894) 5.445 32.289 ( -6.208 -8.509 -0.967) 10.577 32.289 ( -6.208 8.509 -0.967) 10.577 32.774 ( 3.090 -11.244 -9.060) 14.767 32.774 ( 3.090 11.244 -9.060) 14.767 33.045 ( -1.402 -2.780 5.506) 6.325 33.045 ( -1.402 2.780 5.506) 6.325 33.321 ( -4.556 -0.774 -2.850) 5.429 33.321 ( -4.556 0.774 -2.850) 5.429 33.749 ( 6.875 -8.559 -2.509) 11.261 33.749 ( 6.875 8.559 -2.509) 11.261 34.041 ( 10.394 -0.900 -1.988) 10.620 34.041 ( 10.394 0.900 -1.988) 10.620 34.981 ( -2.170 -0.358 -6.179) 6.559 34.981 ( -2.170 0.358 -6.179) 6.559 35.076 ( -1.797 -0.895 5.532) 5.885 35.076 ( -1.797 0.895 5.532) 5.885 35.843 ( -3.607 -2.772 -4.366) 6.306 35.843 ( -3.607 2.772 -4.366) 6.306 35.919 ( -2.505 -3.676 -2.499) 5.102 35.919 ( -2.505 3.676 -2.499) 5.102 36.018 ( -2.985 -0.667 0.877) 3.181 36.018 ( -2.985 0.667 0.877) 3.181 36.273 ( 5.307 -2.256 12.955) 14.181 36.273 ( 5.307 2.256 12.955) 14.181 37.374 ( -17.241 -10.025 5.465) 20.679 37.374 ( -17.241 10.025 5.465) 20.679 38.274 ( 18.769 -9.416 -2.548) 21.153 38.274 ( 18.769 9.416 -2.548) 21.153 ======================= Grid point 122 (68/69) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -11.483 -14.122 10.883) 21.207 1.438 ( -11.483 14.122 10.883) 21.207 1.748 ( -15.968 -13.793 8.963) 22.925 1.748 ( -15.968 13.793 8.963) 22.925 2.183 ( -6.661 -7.417 0.473) 9.980 2.183 ( -6.661 7.417 0.473) 9.980 2.301 ( -6.868 -11.814 1.931) 13.801 2.301 ( -6.868 11.814 1.931) 13.801 2.518 ( 5.459 -3.282 -2.855) 6.980 2.518 ( 5.459 3.282 -2.855) 6.980 2.614 ( -2.178 -10.280 -0.259) 10.512 2.614 ( -2.178 10.280 -0.259) 10.512 2.819 ( 1.606 -6.445 3.792) 7.649 2.819 ( 1.606 6.445 3.792) 7.649 2.979 ( 0.104 -4.172 1.870) 4.573 2.979 ( 0.104 4.172 1.870) 4.573 3.046 ( -4.148 -3.118 4.483) 6.857 3.046 ( -4.148 3.118 4.483) 6.857 3.251 ( 0.359 -1.672 -0.470) 1.773 3.251 ( 0.359 1.672 -0.470) 1.773 3.421 ( -2.805 -1.407 -3.225) 4.500 3.421 ( -2.805 1.407 -3.225) 4.500 3.527 ( 0.977 -2.442 3.203) 4.145 3.527 ( 0.977 2.442 3.203) 4.145 3.674 ( -3.769 -3.077 5.815) 7.582 3.674 ( -3.769 3.077 5.815) 7.582 3.771 ( -9.082 -6.702 4.402) 12.115 3.771 ( -9.082 6.702 4.402) 12.115 3.910 ( -0.032 -4.169 2.887) 5.072 3.910 ( -0.032 4.169 2.887) 5.072 4.096 ( -5.518 -5.319 -0.937) 7.721 4.096 ( -5.518 5.319 -0.937) 7.721 4.156 ( -2.601 -8.313 -6.561) 10.905 4.156 ( -2.601 8.313 -6.561) 10.905 4.390 ( -3.524 -4.563 -3.194) 6.591 4.390 ( -3.524 4.563 -3.194) 6.591 4.503 ( -2.596 -5.377 -0.730) 6.015 4.503 ( -2.596 5.377 -0.730) 6.015 4.669 ( -4.360 -3.897 1.241) 5.978 4.669 ( -4.360 3.897 1.241) 5.978 4.836 ( 0.684 -1.236 5.147) 5.338 4.836 ( 0.684 1.236 5.147) 5.338 5.021 ( 2.971 -3.583 2.413) 5.243 5.021 ( 2.971 3.583 2.413) 5.243 5.099 ( 2.038 -4.598 -1.402) 5.221 5.099 ( 2.038 4.598 -1.402) 5.221 5.331 ( 1.500 -1.719 0.713) 2.390 5.331 ( 1.500 1.719 0.713) 2.390 5.431 ( 2.661 -3.252 -2.932) 5.123 5.431 ( 2.661 3.252 -2.932) 5.123 5.613 ( -2.678 -4.553 -2.225) 5.731 5.613 ( -2.678 4.553 -2.225) 5.731 5.680 ( 2.117 -1.688 0.145) 2.711 5.680 ( 2.117 1.688 0.145) 2.711 5.851 ( -1.828 -6.965 -5.607) 9.127 5.851 ( -1.828 6.965 -5.607) 9.127 5.987 ( 2.901 -2.502 -6.294) 7.368 5.987 ( 2.901 2.502 -6.294) 7.368 6.223 ( 0.050 -3.485 -3.927) 5.251 6.223 ( 0.050 3.485 -3.927) 5.251 6.272 ( 1.011 -3.233 0.792) 3.479 6.272 ( 1.011 3.233 0.792) 3.479 6.473 ( 3.631 -4.615 -4.390) 7.332 6.473 ( 3.631 4.615 -4.390) 7.332 6.759 ( -1.065 -2.499 3.396) 4.349 6.759 ( -1.065 2.499 3.396) 4.349 6.904 ( -0.385 -2.382 3.337) 4.118 6.904 ( -0.385 2.382 3.337) 4.118 7.092 ( -0.825 -3.583 0.415) 3.700 7.092 ( -0.825 3.583 0.415) 3.700 7.204 ( -4.440 -2.795 0.941) 5.330 7.204 ( -4.440 2.795 0.941) 5.330 7.383 ( 3.880 -1.750 0.448) 4.280 7.383 ( 3.880 1.750 0.448) 4.280 7.628 ( 1.000 -5.257 0.077) 5.352 7.628 ( 1.000 5.257 0.077) 5.352 8.355 ( 19.194 -5.606 -0.635) 20.006 8.355 ( 19.194 5.606 -0.635) 20.006 8.465 ( 16.397 -6.049 -0.760) 17.494 8.465 ( 16.397 6.049 -0.760) 17.494 9.042 ( -0.634 -3.637 -0.906) 3.801 9.042 ( -0.634 3.637 -0.906) 3.801 9.210 ( -1.193 -1.814 -0.117) 2.175 9.210 ( -1.193 1.814 -0.117) 2.175 9.370 ( -4.649 -0.965 -1.577) 5.003 9.370 ( -4.649 0.965 -1.577) 5.003 9.422 ( -4.988 -3.895 -1.087) 6.421 9.422 ( -4.988 3.895 -1.087) 6.421 9.530 ( -3.093 -4.820 1.268) 5.866 9.530 ( -3.093 4.820 1.268) 5.866 9.697 ( -3.442 -2.657 -1.021) 4.466 9.697 ( -3.442 2.657 -1.021) 4.466 10.004 ( -0.359 -3.790 3.580) 5.226 10.004 ( -0.359 3.790 3.580) 5.226 10.235 ( 12.728 -1.992 -0.483) 12.892 10.235 ( 12.728 1.992 -0.483) 12.892 10.412 ( 13.213 -5.644 1.270) 14.424 10.412 ( 13.213 5.644 1.270) 14.424 10.629 ( 6.747 -4.134 -1.368) 8.030 10.629 ( 6.747 4.134 -1.368) 8.030 10.840 ( 4.487 -2.580 -0.504) 5.200 10.840 ( 4.487 2.580 -0.504) 5.200 10.980 ( 7.132 -4.545 -0.389) 8.466 10.980 ( 7.132 4.545 -0.389) 8.466 11.564 ( -10.290 -0.569 -0.499) 10.318 11.564 ( -10.290 0.569 -0.499) 10.318 11.663 ( -11.245 -1.813 0.521) 11.402 11.663 ( -11.245 1.813 0.521) 11.402 12.184 ( -1.656 -5.617 1.840) 6.138 12.184 ( -1.656 5.617 1.840) 6.138 12.322 ( -0.048 -6.272 -2.292) 6.678 12.322 ( -0.048 6.272 -2.292) 6.678 12.411 ( 3.187 -2.043 1.321) 4.009 12.411 ( 3.187 2.043 1.321) 4.009 12.496 ( 3.555 -3.039 -0.966) 4.775 12.496 ( 3.555 3.039 -0.966) 4.775 12.825 ( -0.677 -6.632 0.998) 6.740 12.825 ( -0.677 6.632 0.998) 6.740 12.912 ( -0.318 -4.333 -0.545) 4.379 12.912 ( -0.318 4.333 -0.545) 4.379 13.496 ( -7.580 -5.862 -0.498) 9.595 13.496 ( -7.580 5.862 -0.498) 9.595 13.553 ( -7.166 -3.755 0.490) 8.105 13.553 ( -7.166 3.755 0.490) 8.105 14.206 ( 1.512 -4.718 0.696) 5.003 14.206 ( 1.512 4.718 0.696) 5.003 14.253 ( 2.643 -5.526 -0.810) 6.179 14.253 ( 2.643 5.526 -0.810) 6.179 14.608 ( -4.759 -12.148 2.404) 13.267 14.608 ( -4.759 12.148 2.404) 13.267 14.773 ( -1.003 -3.546 -1.095) 3.844 14.773 ( -1.003 3.546 -1.095) 3.844 15.124 ( -8.693 -9.668 1.604) 13.100 15.124 ( -8.693 9.668 1.604) 13.100 15.215 ( -7.621 -5.118 -1.591) 9.317 15.215 ( -7.621 5.118 -1.591) 9.317 15.531 ( 1.372 -3.778 0.629) 4.068 15.531 ( 1.372 3.778 0.629) 4.068 15.643 ( 3.252 -1.178 -1.788) 3.894 15.643 ( 3.252 1.178 -1.788) 3.894 15.869 ( -3.504 -1.247 0.128) 3.722 15.869 ( -3.504 1.247 0.128) 3.722 16.183 ( -0.053 -0.810 -4.484) 4.557 16.183 ( -0.053 0.810 -4.484) 4.557 16.647 ( -1.893 -0.987 -0.793) 2.277 16.647 ( -1.893 0.987 -0.793) 2.277 16.777 ( -2.241 -3.979 -0.595) 4.605 16.777 ( -2.241 3.979 -0.595) 4.605 17.355 ( -0.245 -0.200 0.662) 0.733 17.355 ( -0.245 0.200 0.662) 0.733 17.419 ( -0.626 -0.452 -0.711) 1.050 17.419 ( -0.626 0.452 -0.711) 1.050 19.875 ( -2.855 -4.391 -0.948) 5.322 19.875 ( -2.855 4.391 -0.948) 5.322 20.136 ( -5.439 -2.822 -1.975) 6.438 20.136 ( -5.439 2.822 -1.975) 6.438 20.541 ( 2.659 -0.385 1.160) 2.926 20.541 ( 2.659 0.385 1.160) 2.926 20.796 ( 1.928 -0.096 -1.551) 2.476 20.796 ( 1.928 0.096 -1.551) 2.476 22.109 ( -6.927 -0.806 0.686) 7.007 22.109 ( -6.927 0.806 0.686) 7.007 22.277 ( -5.194 -0.378 0.271) 5.214 22.277 ( -5.194 0.378 0.271) 5.214 22.981 ( 8.068 -2.077 -1.928) 8.551 22.981 ( 8.068 2.077 -1.928) 8.551 23.181 ( 10.218 -1.706 2.266) 10.604 23.181 ( 10.218 1.706 2.266) 10.604 26.844 ( -18.396 -2.478 1.224) 18.603 26.844 ( -18.396 2.478 1.224) 18.603 27.128 ( -26.498 -13.827 -5.011) 30.305 27.128 ( -26.498 13.827 -5.011) 30.305 28.817 ( 18.683 -5.042 1.171) 19.386 28.817 ( 18.683 5.042 1.171) 19.386 28.944 ( 18.884 -9.447 -1.160) 21.147 28.944 ( 18.884 9.447 -1.160) 21.147 30.346 ( -11.363 -9.147 2.552) 14.809 30.346 ( -11.363 9.147 2.552) 14.809 30.699 ( -0.104 -5.513 -0.839) 5.577 30.699 ( -0.104 5.513 -0.839) 5.577 31.048 ( -6.032 -8.868 -2.662) 11.051 31.048 ( -6.032 8.868 -2.662) 11.051 31.150 ( -7.119 -4.961 0.324) 8.683 31.150 ( -7.119 4.961 0.324) 8.683 31.708 ( 1.508 -5.825 1.414) 6.181 31.708 ( 1.508 5.825 1.414) 6.181 31.951 ( 9.414 -1.393 -0.469) 9.528 31.951 ( 9.414 1.393 -0.469) 9.528 32.232 ( 0.686 -6.037 -1.390) 6.233 32.232 ( 0.686 6.037 -1.390) 6.233 32.634 ( -2.341 -10.655 -14.507) 18.151 32.634 ( -2.341 10.655 -14.507) 18.151 32.978 ( -11.826 -2.626 1.405) 12.195 32.978 ( -11.826 2.626 1.405) 12.195 33.245 ( 2.858 -7.377 -12.894) 15.128 33.245 ( 2.858 7.377 -12.894) 15.128 33.798 ( 6.790 -8.452 -9.559) 14.454 33.798 ( 6.790 8.452 -9.559) 14.454 34.140 ( 7.807 -1.523 -5.981) 9.952 34.140 ( 7.807 1.523 -5.981) 9.952 34.918 ( -0.095 -0.345 0.403) 0.539 34.918 ( -0.095 0.345 0.403) 0.539 35.104 ( -2.708 -1.203 5.740) 6.460 35.104 ( -2.708 1.203 5.740) 6.460 35.747 ( -3.414 -2.752 -2.676) 5.137 35.747 ( -3.414 2.752 -2.676) 5.137 35.811 ( -5.438 -3.699 -2.953) 7.209 35.811 ( -5.438 3.699 -2.953) 7.209 36.037 ( -1.782 -0.544 7.605) 7.830 36.037 ( -1.782 0.544 7.605) 7.830 36.522 ( 6.436 -2.499 8.887) 11.254 36.522 ( 6.436 2.499 8.887) 11.254 37.295 ( -8.674 -15.952 21.396) 28.062 37.295 ( -8.674 15.952 21.396) 28.062 38.496 ( 15.684 -10.611 -6.085) 19.890 38.496 ( 15.684 10.611 -6.085) 19.890 ======================= Grid point 124 (69/69) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -8.362 -19.393 10.385) 23.534 1.437 ( -8.362 19.393 10.385) 23.534 1.749 ( 0.062 -6.662 13.235) 14.817 1.749 ( 0.062 6.662 13.235) 14.817 1.968 ( -10.536 -6.132 -6.570) 13.848 1.968 ( -10.536 6.132 -6.570) 13.848 2.220 ( -5.594 -15.705 5.227) 17.471 2.220 ( -5.594 15.705 5.227) 17.471 2.531 ( -0.963 -3.485 -4.142) 5.498 2.531 ( -0.963 3.485 -4.142) 5.498 2.675 ( 3.537 -2.286 7.263) 8.396 2.675 ( 3.537 2.286 7.263) 8.396 2.895 ( 0.068 -3.086 5.247) 6.087 2.895 ( 0.068 3.086 5.247) 6.087 3.029 ( 1.348 -3.058 7.219) 7.955 3.029 ( 1.348 3.058 7.219) 7.955 3.086 ( 0.740 -4.950 2.103) 5.429 3.086 ( 0.740 4.950 2.103) 5.429 3.246 ( 0.789 -3.230 -0.457) 3.356 3.246 ( 0.789 3.230 -0.457) 3.356 3.361 ( -1.003 -3.252 -2.915) 4.481 3.361 ( -1.003 3.252 -2.915) 4.481 3.560 ( -3.084 -1.528 0.609) 3.495 3.560 ( -3.084 1.528 0.609) 3.495 3.581 ( -5.085 -2.351 4.042) 6.909 3.581 ( -5.085 2.351 4.042) 6.909 3.740 ( -6.000 -4.937 0.124) 7.771 3.740 ( -6.000 4.937 0.124) 7.771 3.890 ( -4.221 -4.064 -1.205) 5.982 3.890 ( -4.221 4.064 -1.205) 5.982 4.017 ( 2.612 -5.937 -5.686) 8.625 4.017 ( 2.612 5.937 -5.686) 8.625 4.095 ( -0.284 -10.065 -0.366) 10.076 4.095 ( -0.284 10.065 -0.366) 10.076 4.300 ( -4.856 -5.997 -2.504) 8.112 4.300 ( -4.856 5.997 -2.504) 8.112 4.480 ( -0.617 -5.758 3.659) 6.850 4.480 ( -0.617 5.758 3.659) 6.850 4.673 ( -1.168 -2.951 6.732) 7.442 4.673 ( -1.168 2.951 6.732) 7.442 4.848 ( -2.280 -3.073 -2.081) 4.356 4.848 ( -2.280 3.073 -2.081) 4.356 5.060 ( 2.530 -5.363 2.195) 6.323 5.060 ( 2.530 5.363 2.195) 6.323 5.144 ( 3.647 -1.179 -0.074) 3.834 5.144 ( 3.647 1.179 -0.074) 3.834 5.317 ( -0.126 -6.025 -4.817) 7.715 5.317 ( -0.126 6.025 -4.817) 7.715 5.443 ( -2.076 -5.168 -1.162) 5.690 5.443 ( -2.076 5.168 -1.162) 5.690 5.564 ( 0.542 -2.888 0.932) 3.083 5.564 ( 0.542 2.888 0.932) 3.083 5.713 ( -2.006 -4.978 -6.568) 8.482 5.713 ( -2.006 4.978 -6.568) 8.482 5.760 ( 4.235 -6.203 0.119) 7.512 5.760 ( 4.235 6.203 0.119) 7.512 5.991 ( 3.577 -8.187 -5.745) 10.622 5.991 ( 3.577 8.187 -5.745) 10.622 6.127 ( -2.245 -3.033 -4.299) 5.720 6.127 ( -2.245 3.033 -4.299) 5.720 6.289 ( -0.854 -2.544 0.156) 2.688 6.289 ( -0.854 2.544 0.156) 2.688 6.478 ( 2.571 -3.105 -4.263) 5.867 6.478 ( 2.571 3.105 -4.263) 5.867 6.712 ( -5.218 -5.820 -1.617) 7.982 6.712 ( -5.218 5.820 -1.617) 7.982 6.929 ( -0.307 -1.194 0.985) 1.578 6.929 ( -0.307 1.194 0.985) 1.578 7.087 ( -0.999 -3.266 2.963) 4.521 7.087 ( -0.999 3.266 2.963) 4.521 7.188 ( 0.669 -2.369 1.091) 2.692 7.188 ( 0.669 2.369 1.091) 2.692 7.485 ( 4.859 -1.699 3.256) 6.091 7.485 ( 4.859 1.700 3.256) 6.091 7.651 ( 0.844 -3.159 0.893) 3.390 7.651 ( 0.844 3.159 0.893) 3.390 8.645 ( 15.990 -5.110 0.651) 16.799 8.645 ( 15.990 5.110 0.651) 16.799 8.708 ( 15.058 -4.358 -1.424) 15.741 8.708 ( 15.058 4.358 -1.424) 15.741 9.034 ( 1.518 -4.847 -0.731) 5.131 9.034 ( 1.518 4.847 -0.731) 5.131 9.179 ( -2.883 -3.793 0.027) 4.764 9.179 ( -2.883 3.793 0.027) 4.764 9.274 ( -4.423 -1.771 -1.690) 5.055 9.274 ( -4.423 1.771 -1.690) 5.055 9.323 ( -5.390 -3.498 -1.861) 6.690 9.323 ( -5.390 3.498 -1.861) 6.690 9.508 ( -1.852 -2.807 1.191) 3.567 9.508 ( -1.852 2.807 1.191) 3.567 9.626 ( -4.084 -1.661 -0.725) 4.468 9.626 ( -4.084 1.661 -0.725) 4.468 10.035 ( -1.133 -4.124 3.907) 5.793 10.035 ( -1.133 4.124 3.907) 5.793 10.402 ( 9.381 -1.595 -1.717) 9.669 10.402 ( 9.381 1.595 -1.717) 9.669 10.601 ( 7.674 -7.101 1.827) 10.614 10.601 ( 7.674 7.101 1.827) 10.614 10.699 ( 6.022 -5.223 -2.409) 8.328 10.699 ( 6.022 5.223 -2.409) 8.328 10.922 ( 4.960 -2.283 0.587) 5.492 10.922 ( 4.960 2.283 0.587) 5.492 11.073 ( 4.547 -4.728 -1.398) 6.707 11.073 ( 4.547 4.728 -1.398) 6.707 11.412 ( -7.673 -1.726 -0.583) 7.886 11.412 ( -7.673 1.726 -0.583) 7.886 11.496 ( -9.248 -2.853 0.289) 9.682 11.496 ( -9.248 2.853 0.289) 9.682 12.161 ( -3.500 -4.216 1.301) 5.632 12.161 ( -3.500 4.216 1.301) 5.632 12.296 ( 0.076 -4.409 -1.630) 4.702 12.296 ( 0.076 4.409 -1.630) 4.702 12.491 ( 4.017 -1.774 1.269) 4.572 12.491 ( 4.017 1.774 1.269) 4.572 12.542 ( 3.652 -3.212 -1.289) 5.031 12.542 ( 3.652 3.212 -1.289) 5.031 12.816 ( -0.910 -5.801 0.587) 5.901 12.816 ( -0.910 5.801 0.587) 5.901 12.896 ( -1.202 -2.721 -0.020) 2.975 12.896 ( -1.202 2.721 -0.020) 2.975 13.383 ( -5.685 -1.919 -0.110) 6.001 13.383 ( -5.685 1.919 -0.110) 6.001 13.453 ( -5.722 -1.792 0.390) 6.008 13.453 ( -5.722 1.792 0.390) 6.008 14.252 ( 3.057 -3.847 0.243) 4.920 14.252 ( 3.057 3.847 0.243) 4.920 14.319 ( 4.393 -3.863 0.013) 5.850 14.319 ( 4.393 3.863 0.013) 5.850 14.552 ( -2.745 -8.995 0.667) 9.428 14.552 ( -2.745 8.995 0.667) 9.428 14.713 ( -4.722 -6.348 0.615) 7.935 14.713 ( -4.722 6.348 0.615) 7.935 14.965 ( -12.244 -7.289 1.153) 14.296 14.965 ( -12.244 7.289 1.153) 14.296 15.070 ( -7.336 -5.620 -2.807) 9.658 15.070 ( -7.336 5.620 -2.807) 9.658 15.523 ( -2.790 -8.116 2.600) 8.967 15.523 ( -2.790 8.116 2.600) 8.967 15.721 ( 9.014 -7.639 -3.395) 12.293 15.721 ( 9.014 7.639 -3.395) 12.293 15.859 ( 0.295 -1.388 0.380) 1.469 15.859 ( 0.295 1.388 0.380) 1.469 16.102 ( -1.484 -7.779 -7.579) 10.961 16.102 ( -1.484 7.779 -7.579) 10.961 16.612 ( -1.577 -0.360 -0.297) 1.645 16.612 ( -1.577 0.360 -0.297) 1.645 16.691 ( -5.966 -1.081 -1.044) 6.152 16.691 ( -5.966 1.081 -1.044) 6.152 17.366 ( 0.443 -0.248 0.767) 0.920 17.366 ( 0.443 0.248 0.767) 0.920 17.406 ( -0.214 -0.273 -0.346) 0.490 17.406 ( -0.214 0.273 -0.346) 0.490 19.836 ( -0.886 -3.584 -0.839) 3.786 19.836 ( -0.886 3.584 -0.839) 3.786 20.041 ( -3.423 -1.808 -1.377) 4.109 20.041 ( -3.423 1.808 -1.377) 4.109 20.580 ( 0.679 -0.276 1.144) 1.359 20.580 ( 0.679 0.276 1.144) 1.359 20.804 ( 1.232 -0.288 -1.366) 1.862 20.804 ( 1.232 0.288 -1.366) 1.862 22.053 ( -2.487 -2.184 2.022) 3.878 22.053 ( -2.487 2.184 2.022) 3.878 22.208 ( -3.385 -1.087 -0.483) 3.588 22.208 ( -3.385 1.087 -0.483) 3.588 23.061 ( 4.899 -0.635 -1.989) 5.325 23.061 ( 4.899 0.635 -1.989) 5.325 23.354 ( 7.910 -0.813 1.537) 8.099 23.354 ( 7.910 0.813 1.537) 8.099 26.617 ( -11.651 -0.979 0.407) 11.699 26.617 ( -11.651 0.979 0.407) 11.699 26.708 ( -18.699 -4.228 -2.143) 19.291 26.708 ( -18.699 4.228 -2.143) 19.291 29.071 ( 10.797 -3.906 2.417) 11.733 29.071 ( 10.797 3.906 2.417) 11.733 29.201 ( 15.003 -7.099 -1.941) 16.711 29.201 ( 15.003 7.099 -1.941) 16.711 30.214 ( -10.557 -12.311 5.747) 17.206 30.214 ( -10.557 12.311 5.747) 17.206 30.675 ( 0.413 -6.879 -5.545) 8.846 30.675 ( 0.413 6.879 -5.545) 8.846 30.915 ( -5.018 -3.688 -2.258) 6.624 30.915 ( -5.018 3.688 -2.258) 6.624 31.080 ( -3.351 -2.004 0.756) 3.977 31.080 ( -3.351 2.004 0.756) 3.977 31.724 ( -1.777 -7.927 3.572) 8.874 31.724 ( -1.777 7.927 3.572) 8.874 32.119 ( 11.351 -3.100 -0.314) 11.771 32.119 ( 11.351 3.100 -0.314) 11.771 32.251 ( 3.052 -4.089 -3.042) 5.940 32.251 ( 3.052 4.089 -3.042) 5.940 32.394 ( -2.250 -16.007 -19.353) 25.215 32.394 ( -2.250 16.007 -19.353) 25.215 32.791 ( -13.010 -0.867 1.794) 13.161 32.791 ( -13.010 0.867 1.794) 13.161 33.045 ( -2.638 -10.590 -18.721) 21.670 33.045 ( -2.638 10.590 -18.721) 21.670 33.792 ( 1.864 -2.965 -1.328) 3.746 33.792 ( 1.864 2.965 -1.328) 3.746 34.147 ( 3.792 -2.048 -8.117) 9.190 34.147 ( 3.792 2.048 -8.117) 9.190 34.981 ( 3.799 -0.453 3.191) 4.982 34.981 ( 3.799 0.453 3.191) 4.982 35.122 ( -2.577 -1.654 4.517) 5.457 35.122 ( -2.577 1.654 4.517) 5.457 35.680 ( -1.928 -2.473 -1.611) 3.526 35.680 ( -1.928 2.473 -1.611) 3.526 35.715 ( -3.692 -2.946 -1.085) 4.846 35.715 ( -3.692 2.946 -1.085) 4.846 36.122 ( -0.433 -1.181 10.137) 10.215 36.122 ( -0.433 1.181 10.137) 10.215 36.579 ( 0.573 -1.134 -5.857) 5.994 36.579 ( 0.573 1.134 -5.857) 5.994 37.594 ( 2.302 -23.248 31.733) 39.405 37.594 ( 2.302 23.248 31.733) 39.405 38.611 ( 9.675 -11.490 -8.958) 17.490 38.611 ( 9.675 11.490 -8.958) 17.490 =================== 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 3/38880 10.0 179.756 155.669 120.953 0.000 -10.807 0.000 3/38880 20.0 28.411 24.627 20.581 0.000 1.019 0.000 3/38880 30.0 10.464 9.258 8.024 0.000 0.724 0.000 3/38880 40.0 5.792 5.132 4.578 0.000 0.475 0.000 3/38880 50.0 3.897 3.447 3.131 0.000 0.336 0.000 3/38880 60.0 2.924 2.581 2.370 0.000 0.255 0.000 3/38880 70.0 2.350 2.066 1.908 0.000 0.203 0.000 3/38880 80.0 1.979 1.729 1.601 0.000 0.168 0.000 3/38880 90.0 1.723 1.494 1.382 0.000 0.144 0.000 3/38880 100.0 1.538 1.322 1.218 0.000 0.125 0.000 3/38880 110.0 1.399 1.191 1.091 0.000 0.111 0.000 3/38880 120.0 1.291 1.088 0.989 0.000 0.099 0.000 3/38880 130.0 1.205 1.005 0.906 0.000 0.090 0.000 3/38880 140.0 1.135 0.937 0.837 0.000 0.082 0.000 3/38880 150.0 1.077 0.880 0.778 0.000 0.076 0.000 3/38880 160.0 1.028 0.831 0.728 0.000 0.070 0.000 3/38880 170.0 0.986 0.789 0.685 0.000 0.065 0.000 3/38880 180.0 0.950 0.752 0.648 0.000 0.061 0.000 3/38880 190.0 0.919 0.720 0.616 0.000 0.057 0.000 3/38880 200.0 0.891 0.691 0.587 0.000 0.054 0.000 3/38880 210.0 0.867 0.665 0.562 0.000 0.051 0.000 3/38880 220.0 0.846 0.641 0.540 0.000 0.048 0.000 3/38880 230.0 0.826 0.620 0.520 0.000 0.046 0.000 3/38880 240.0 0.809 0.600 0.503 0.000 0.044 0.000 3/38880 250.0 0.794 0.582 0.487 0.000 0.042 0.000 3/38880 260.0 0.779 0.566 0.473 0.000 0.040 0.000 3/38880 270.0 0.766 0.551 0.460 0.000 0.038 0.000 3/38880 280.0 0.754 0.536 0.449 0.000 0.037 0.000 3/38880 290.0 0.743 0.523 0.439 0.000 0.035 0.000 3/38880 300.0 0.732 0.511 0.430 0.000 0.034 0.000 3/38880 310.0 0.722 0.499 0.421 0.000 0.032 0.000 3/38880 320.0 0.713 0.488 0.414 0.000 0.031 0.000 3/38880 330.0 0.704 0.478 0.407 0.000 0.030 0.000 3/38880 340.0 0.695 0.468 0.400 0.000 0.029 0.000 3/38880 350.0 0.687 0.459 0.394 0.000 0.028 0.000 3/38880 360.0 0.679 0.450 0.389 0.000 0.027 0.000 3/38880 370.0 0.671 0.442 0.384 0.000 0.026 0.000 3/38880 380.0 0.664 0.434 0.379 0.000 0.025 0.000 3/38880 390.0 0.656 0.426 0.374 0.000 0.024 0.000 3/38880 400.0 0.649 0.419 0.370 0.000 0.024 0.000 3/38880 410.0 0.642 0.412 0.365 0.000 0.023 0.000 3/38880 420.0 0.635 0.405 0.361 0.000 0.022 0.000 3/38880 430.0 0.629 0.399 0.358 0.000 0.021 0.000 3/38880 440.0 0.622 0.392 0.354 0.000 0.021 0.000 3/38880 450.0 0.615 0.386 0.350 0.000 0.020 0.000 3/38880 460.0 0.609 0.380 0.347 0.000 0.020 0.000 3/38880 470.0 0.602 0.375 0.343 0.000 0.019 0.000 3/38880 480.0 0.596 0.369 0.340 0.000 0.018 0.000 3/38880 490.0 0.590 0.364 0.337 0.000 0.018 0.000 3/38880 500.0 0.584 0.359 0.334 0.000 0.017 0.000 3/38880 510.0 0.578 0.354 0.331 0.000 0.017 0.000 3/38880 520.0 0.572 0.349 0.328 0.000 0.016 0.000 3/38880 530.0 0.566 0.344 0.325 0.000 0.016 0.000 3/38880 540.0 0.560 0.339 0.322 0.000 0.016 0.000 3/38880 550.0 0.554 0.335 0.319 0.000 0.015 0.000 3/38880 560.0 0.549 0.330 0.316 0.000 0.015 0.000 3/38880 570.0 0.543 0.326 0.313 0.000 0.014 0.000 3/38880 580.0 0.537 0.322 0.310 0.000 0.014 0.000 3/38880 590.0 0.532 0.318 0.307 0.000 0.014 0.000 3/38880 600.0 0.527 0.314 0.305 0.000 0.013 0.000 3/38880 610.0 0.521 0.310 0.302 0.000 0.013 0.000 3/38880 620.0 0.516 0.306 0.299 0.000 0.013 0.000 3/38880 630.0 0.511 0.302 0.297 0.000 0.013 0.000 3/38880 640.0 0.506 0.299 0.294 0.000 0.012 0.000 3/38880 650.0 0.501 0.295 0.292 0.000 0.012 0.000 3/38880 660.0 0.496 0.292 0.289 0.000 0.012 0.000 3/38880 670.0 0.491 0.288 0.287 0.000 0.012 0.000 3/38880 680.0 0.486 0.285 0.284 0.000 0.011 0.000 3/38880 690.0 0.481 0.282 0.282 0.000 0.011 0.000 3/38880 700.0 0.477 0.278 0.279 0.000 0.011 0.000 3/38880 710.0 0.472 0.275 0.277 0.000 0.011 0.000 3/38880 720.0 0.468 0.272 0.274 0.000 0.010 0.000 3/38880 730.0 0.463 0.269 0.272 0.000 0.010 0.000 3/38880 740.0 0.459 0.266 0.270 0.000 0.010 0.000 3/38880 750.0 0.454 0.263 0.268 0.000 0.010 0.000 3/38880 760.0 0.450 0.261 0.265 0.000 0.010 0.000 3/38880 770.0 0.446 0.258 0.263 0.000 0.009 0.000 3/38880 780.0 0.442 0.255 0.261 0.000 0.009 0.000 3/38880 790.0 0.438 0.252 0.259 0.000 0.009 0.000 3/38880 800.0 0.434 0.250 0.257 0.000 0.009 0.000 3/38880 810.0 0.430 0.247 0.254 0.000 0.009 0.000 3/38880 820.0 0.426 0.245 0.252 0.000 0.009 0.000 3/38880 830.0 0.422 0.242 0.250 0.000 0.009 0.000 3/38880 840.0 0.418 0.240 0.248 0.000 0.008 0.000 3/38880 850.0 0.414 0.237 0.246 0.000 0.008 0.000 3/38880 860.0 0.411 0.235 0.244 0.000 0.008 0.000 3/38880 870.0 0.407 0.233 0.242 0.000 0.008 0.000 3/38880 880.0 0.404 0.231 0.240 0.000 0.008 0.000 3/38880 890.0 0.400 0.228 0.238 0.000 0.008 0.000 3/38880 900.0 0.397 0.226 0.236 0.000 0.008 0.000 3/38880 910.0 0.393 0.224 0.235 0.000 0.007 0.000 3/38880 920.0 0.390 0.222 0.233 0.000 0.007 0.000 3/38880 930.0 0.386 0.220 0.231 0.000 0.007 0.000 3/38880 940.0 0.383 0.218 0.229 0.000 0.007 0.000 3/38880 950.0 0.380 0.216 0.227 0.000 0.007 0.000 3/38880 960.0 0.377 0.214 0.226 0.000 0.007 0.000 3/38880 970.0 0.374 0.212 0.224 0.000 0.007 0.000 3/38880 980.0 0.371 0.210 0.222 0.000 0.007 0.000 3/38880 990.0 0.368 0.208 0.220 0.000 0.007 0.000 3/38880 1000.0 0.365 0.207 0.219 0.000 0.007 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m945.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:59:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|