----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:35:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741776640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): *1 Cs 0.88122116676854 0.25000000000000 0.54474391637707 132.905 *2 Cs 0.19340201718180 0.25000000000000 0.18243820585620 132.905 3 Cs 0.11877883323146 0.75000000000000 0.45525608362293 132.905 *4 Cs 0.42341083372296 0.75000000000000 0.27674177967711 132.905 5 Cs 0.92341083372296 0.75000000000000 0.22325822032289 132.905 6 Cs 0.30659798281820 0.75000000000000 0.68243820585620 132.905 7 Cs 0.57658916627704 0.25000000000000 0.72325822032289 132.905 8 Cs 0.38122116676854 0.25000000000000 0.95525608362293 132.905 9 Cs 0.69340201718179 0.25000000000000 0.31756179414380 132.905 10 Cs 0.61877883323146 0.75000000000000 0.04474391637707 132.905 11 Cs 0.07658916627704 0.25000000000000 0.77674177967711 132.905 12 Cs 0.80659798281821 0.75000000000000 0.81756179414380 132.905 *13 Al 0.73818163245507 0.25000000000000 0.92540900970002 26.982 *14 Al 0.19828812736973 0.75000000000000 0.87217209006208 26.982 15 Al 0.76181836754493 0.75000000000000 0.42540900970002 26.982 16 Al 0.30171187263027 0.25000000000000 0.37217209006209 26.982 17 Al 0.23818163245507 0.25000000000000 0.57459099029998 26.982 18 Al 0.26181836754493 0.75000000000000 0.07459099029998 26.982 19 Al 0.80171187263027 0.25000000000000 0.12782790993792 26.982 *20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 21 Al 0.69828812736973 0.75000000000000 0.62782790993792 26.982 22 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 23 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *25 F 0.91392887367068 0.43887923623552 0.08456733271301 18.998 26 F 0.58607112632932 0.93887923623552 0.58456733271301 18.998 *27 F 0.13337310893254 0.93902616998125 0.05798560864353 18.998 *28 F 0.79058466972966 0.55104533111910 0.66106432437902 18.998 *29 F 0.62884086127109 0.44490428592407 0.91644005023657 18.998 *30 F 0.21461842741654 0.75000000000000 0.17183118638962 18.998 31 F 0.20941533027034 0.05104533111910 0.33893567562098 18.998 32 F 0.86662689106746 0.43902616998125 0.94201439135647 18.998 *33 F 0.90375784844819 0.25000000000000 0.20869665003104 18.998 *34 F 0.77784074383275 0.75000000000000 0.53245058904522 18.998 35 F 0.78538157258346 0.25000000000000 0.82816881361038 18.998 36 F 0.91392887367068 0.06112076376448 0.08456733271301 18.998 37 F 0.20941533027034 0.44895466888090 0.33893567562098 18.998 38 F 0.72215925616725 0.25000000000000 0.03245058904522 18.998 39 F 0.63337310893254 0.56097383001875 0.44201439135647 18.998 *40 F 0.06142277329605 0.25000000000000 0.99262781305221 18.998 41 F 0.28538157258346 0.25000000000000 0.67183118638962 18.998 42 F 0.87115913872891 0.94490428592407 0.41644005023657 18.998 43 F 0.36662689106746 0.06097383001875 0.55798560864353 18.998 44 F 0.37115913872891 0.94490428592407 0.08355994976343 18.998 45 F 0.12884086127109 0.44490428592407 0.58355994976343 18.998 46 F 0.41392887367068 0.06112076376448 0.41543266728699 18.998 47 F 0.63337310893254 0.93902616998125 0.44201439135647 18.998 48 F 0.29058466972966 0.55104533111910 0.83893567562098 18.998 49 F 0.27784074383275 0.75000000000000 0.96754941095478 18.998 50 F 0.58607112632932 0.56112076376448 0.58456733271301 18.998 51 F 0.12884086127109 0.05509571407593 0.58355994976343 18.998 52 F 0.86662689106746 0.06097383001875 0.94201439135647 18.998 53 F 0.08607112632932 0.93887923623552 0.91543266728699 18.998 54 F 0.87115913872891 0.55509571407593 0.41644005023657 18.998 55 F 0.37115913872891 0.55509571407593 0.08355994976343 18.998 56 F 0.40375784844819 0.25000000000000 0.29130334996896 18.998 57 F 0.93857722670395 0.75000000000000 0.00737218694779 18.998 58 F 0.41392887367068 0.43887923623552 0.41543266728699 18.998 59 F 0.08607112632932 0.56112076376448 0.91543266728699 18.998 60 F 0.36662689106746 0.43902616998125 0.55798560864353 18.998 61 F 0.09624215155181 0.75000000000000 0.79130334996896 18.998 62 F 0.70941533027034 0.05104533111910 0.16106432437902 18.998 63 F 0.22215925616725 0.25000000000000 0.46754941095478 18.998 64 F 0.62884086127109 0.05509571407593 0.91644005023657 18.998 65 F 0.59624215155181 0.75000000000000 0.70869665003104 18.998 66 F 0.71461842741654 0.75000000000000 0.32816881361038 18.998 67 F 0.56142277329605 0.25000000000000 0.50737218694779 18.998 68 F 0.13337310893254 0.56097383001875 0.05798560864353 18.998 69 F 0.70941533027034 0.44895466888090 0.16106432437902 18.998 70 F 0.79058466972966 0.94895466888090 0.66106432437902 18.998 71 F 0.43857722670395 0.75000000000000 0.49262781305221 18.998 72 F 0.29058466972966 0.94895466888090 0.83893567562098 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741776640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): *1 Cs 0.88122116676854 0.25000000000000 0.54474391637707 132.905 > 1 *2 Cs 0.19340201718180 0.25000000000000 0.18243820585620 132.905 > 2 3 Cs 0.11877883323146 0.75000000000000 0.45525608362293 132.905 > 3 *4 Cs 0.42341083372296 0.75000000000000 0.27674177967711 132.905 > 4 5 Cs 0.92341083372296 0.75000000000000 0.22325822032289 132.905 > 5 6 Cs 0.30659798281820 0.75000000000000 0.68243820585620 132.905 > 6 7 Cs 0.57658916627704 0.25000000000000 0.72325822032289 132.905 > 7 8 Cs 0.38122116676854 0.25000000000000 0.95525608362293 132.905 > 8 9 Cs 0.69340201718179 0.25000000000000 0.31756179414380 132.905 > 9 10 Cs 0.61877883323146 0.75000000000000 0.04474391637707 132.905 > 10 11 Cs 0.07658916627704 0.25000000000000 0.77674177967711 132.905 > 11 12 Cs 0.80659798281821 0.75000000000000 0.81756179414380 132.905 > 12 *13 Al 0.73818163245507 0.25000000000000 0.92540900970002 26.982 > 13 *14 Al 0.19828812736973 0.75000000000000 0.87217209006208 26.982 > 14 15 Al 0.76181836754493 0.75000000000000 0.42540900970002 26.982 > 15 16 Al 0.30171187263027 0.25000000000000 0.37217209006209 26.982 > 16 17 Al 0.23818163245507 0.25000000000000 0.57459099029998 26.982 > 17 18 Al 0.26181836754493 0.75000000000000 0.07459099029998 26.982 > 18 19 Al 0.80171187263027 0.25000000000000 0.12782790993792 26.982 > 19 *20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 20 21 Al 0.69828812736973 0.75000000000000 0.62782790993792 26.982 > 21 22 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 22 23 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 23 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 24 *25 F 0.91392887367068 0.43887923623552 0.08456733271301 18.998 > 25 26 F 0.58607112632932 0.93887923623552 0.58456733271301 18.998 > 26 *27 F 0.13337310893254 0.93902616998125 0.05798560864353 18.998 > 27 *28 F 0.79058466972966 0.55104533111910 0.66106432437902 18.998 > 28 *29 F 0.62884086127109 0.44490428592407 0.91644005023657 18.998 > 29 *30 F 0.21461842741654 0.75000000000000 0.17183118638962 18.998 > 30 31 F 0.20941533027034 0.05104533111910 0.33893567562098 18.998 > 31 32 F 0.86662689106746 0.43902616998125 0.94201439135647 18.998 > 32 *33 F 0.90375784844819 0.25000000000000 0.20869665003104 18.998 > 33 *34 F 0.77784074383275 0.75000000000000 0.53245058904522 18.998 > 34 35 F 0.78538157258346 0.25000000000000 0.82816881361038 18.998 > 35 36 F 0.91392887367068 0.06112076376448 0.08456733271301 18.998 > 36 37 F 0.20941533027034 0.44895466888090 0.33893567562098 18.998 > 37 38 F 0.72215925616725 0.25000000000000 0.03245058904522 18.998 > 38 39 F 0.63337310893254 0.56097383001875 0.44201439135647 18.998 > 39 *40 F 0.06142277329605 0.25000000000000 0.99262781305221 18.998 > 40 41 F 0.28538157258346 0.25000000000000 0.67183118638962 18.998 > 41 42 F 0.87115913872891 0.94490428592407 0.41644005023657 18.998 > 42 43 F 0.36662689106746 0.06097383001875 0.55798560864353 18.998 > 43 44 F 0.37115913872891 0.94490428592407 0.08355994976343 18.998 > 44 45 F 0.12884086127109 0.44490428592407 0.58355994976343 18.998 > 45 46 F 0.41392887367068 0.06112076376448 0.41543266728699 18.998 > 46 47 F 0.63337310893254 0.93902616998125 0.44201439135647 18.998 > 47 48 F 0.29058466972966 0.55104533111910 0.83893567562098 18.998 > 48 49 F 0.27784074383275 0.75000000000000 0.96754941095478 18.998 > 49 50 F 0.58607112632932 0.56112076376448 0.58456733271301 18.998 > 50 51 F 0.12884086127109 0.05509571407593 0.58355994976343 18.998 > 51 52 F 0.86662689106746 0.06097383001875 0.94201439135647 18.998 > 52 53 F 0.08607112632932 0.93887923623552 0.91543266728699 18.998 > 53 54 F 0.87115913872891 0.55509571407593 0.41644005023657 18.998 > 54 55 F 0.37115913872891 0.55509571407593 0.08355994976343 18.998 > 55 56 F 0.40375784844819 0.25000000000000 0.29130334996896 18.998 > 56 57 F 0.93857722670395 0.75000000000000 0.00737218694779 18.998 > 57 58 F 0.41392887367068 0.43887923623552 0.41543266728699 18.998 > 58 59 F 0.08607112632932 0.56112076376448 0.91543266728699 18.998 > 59 60 F 0.36662689106746 0.43902616998125 0.55798560864353 18.998 > 60 61 F 0.09624215155181 0.75000000000000 0.79130334996896 18.998 > 61 62 F 0.70941533027034 0.05104533111910 0.16106432437902 18.998 > 62 63 F 0.22215925616725 0.25000000000000 0.46754941095478 18.998 > 63 64 F 0.62884086127109 0.05509571407593 0.91644005023657 18.998 > 64 65 F 0.59624215155181 0.75000000000000 0.70869665003104 18.998 > 65 66 F 0.71461842741654 0.75000000000000 0.32816881361038 18.998 > 66 67 F 0.56142277329605 0.25000000000000 0.50737218694779 18.998 > 67 68 F 0.13337310893254 0.56097383001875 0.05798560864353 18.998 > 68 69 F 0.70941533027034 0.44895466888090 0.16106432437902 18.998 > 69 70 F 0.79058466972966 0.94895466888090 0.66106432437902 18.998 > 70 71 F 0.43857722670395 0.75000000000000 0.49262781305221 18.998 > 71 72 F 0.29058466972966 0.94895466888090 0.83893567562098 18.998 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.483553280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): *1 Cs 0.88122116676854 0.12500000000000 0.54474391637707 132.905 > 1 2 Cs 0.88122116676854 0.62500000000000 0.54474391637707 132.905 > 1 *3 Cs 0.19340201718180 0.12500000000000 0.18243820585620 132.905 > 2 4 Cs 0.19340201718180 0.62500000000000 0.18243820585620 132.905 > 2 5 Cs 0.11877883323146 0.37500000000000 0.45525608362293 132.905 > 3 6 Cs 0.11877883323146 0.87500000000000 0.45525608362293 132.905 > 3 *7 Cs 0.42341083372296 0.37500000000000 0.27674177967711 132.905 > 4 8 Cs 0.42341083372296 0.87500000000000 0.27674177967711 132.905 > 4 9 Cs 0.92341083372296 0.37500000000000 0.22325822032289 132.905 > 5 10 Cs 0.92341083372296 0.87500000000000 0.22325822032289 132.905 > 5 11 Cs 0.30659798281820 0.37500000000000 0.68243820585620 132.905 > 6 12 Cs 0.30659798281820 0.87500000000000 0.68243820585620 132.905 > 6 13 Cs 0.57658916627704 0.12500000000000 0.72325822032289 132.905 > 7 14 Cs 0.57658916627704 0.62500000000000 0.72325822032289 132.905 > 7 15 Cs 0.38122116676854 0.12500000000000 0.95525608362293 132.905 > 8 16 Cs 0.38122116676854 0.62500000000000 0.95525608362293 132.905 > 8 17 Cs 0.69340201718179 0.12500000000000 0.31756179414380 132.905 > 9 18 Cs 0.69340201718179 0.62500000000000 0.31756179414380 132.905 > 9 19 Cs 0.61877883323146 0.37500000000000 0.04474391637707 132.905 > 10 20 Cs 0.61877883323146 0.87500000000000 0.04474391637707 132.905 > 10 21 Cs 0.07658916627704 0.12500000000000 0.77674177967711 132.905 > 11 22 Cs 0.07658916627704 0.62500000000000 0.77674177967711 132.905 > 11 23 Cs 0.80659798281821 0.37500000000000 0.81756179414380 132.905 > 12 24 Cs 0.80659798281821 0.87500000000000 0.81756179414380 132.905 > 12 *25 Al 0.73818163245507 0.12500000000000 0.92540900970002 26.982 > 13 26 Al 0.73818163245507 0.62500000000000 0.92540900970002 26.982 > 13 *27 Al 0.19828812736973 0.37500000000000 0.87217209006208 26.982 > 14 28 Al 0.19828812736973 0.87500000000000 0.87217209006208 26.982 > 14 29 Al 0.76181836754493 0.37500000000000 0.42540900970002 26.982 > 15 30 Al 0.76181836754493 0.87500000000000 0.42540900970002 26.982 > 15 31 Al 0.30171187263027 0.12500000000000 0.37217209006209 26.982 > 16 32 Al 0.30171187263027 0.62500000000000 0.37217209006209 26.982 > 16 33 Al 0.23818163245507 0.12500000000000 0.57459099029998 26.982 > 17 34 Al 0.23818163245507 0.62500000000000 0.57459099029998 26.982 > 17 35 Al 0.26181836754493 0.37500000000000 0.07459099029998 26.982 > 18 36 Al 0.26181836754493 0.87500000000000 0.07459099029998 26.982 > 18 37 Al 0.80171187263027 0.12500000000000 0.12782790993792 26.982 > 19 38 Al 0.80171187263027 0.62500000000000 0.12782790993792 26.982 > 19 *39 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 20 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 20 41 Al 0.69828812736973 0.37500000000000 0.62782790993792 26.982 > 21 42 Al 0.69828812736973 0.87500000000000 0.62782790993792 26.982 > 21 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 22 44 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 22 45 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 23 46 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 23 47 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 24 48 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 24 *49 F 0.91392887367068 0.21943961811776 0.08456733271301 18.998 > 25 50 F 0.91392887367068 0.71943961811776 0.08456733271301 18.998 > 25 51 F 0.58607112632932 0.46943961811776 0.58456733271301 18.998 > 26 52 F 0.58607112632932 0.96943961811776 0.58456733271301 18.998 > 26 *53 F 0.13337310893254 0.46951308499062 0.05798560864353 18.998 > 27 54 F 0.13337310893254 0.96951308499063 0.05798560864353 18.998 > 27 *55 F 0.79058466972966 0.27552266555955 0.66106432437902 18.998 > 28 56 F 0.79058466972966 0.77552266555955 0.66106432437902 18.998 > 28 *57 F 0.62884086127109 0.22245214296204 0.91644005023657 18.998 > 29 58 F 0.62884086127109 0.72245214296204 0.91644005023657 18.998 > 29 *59 F 0.21461842741654 0.37500000000000 0.17183118638962 18.998 > 30 60 F 0.21461842741654 0.87500000000000 0.17183118638962 18.998 > 30 61 F 0.20941533027034 0.02552266555955 0.33893567562098 18.998 > 31 62 F 0.20941533027034 0.52552266555955 0.33893567562098 18.998 > 31 63 F 0.86662689106746 0.21951308499062 0.94201439135647 18.998 > 32 64 F 0.86662689106746 0.71951308499063 0.94201439135647 18.998 > 32 *65 F 0.90375784844819 0.12500000000000 0.20869665003104 18.998 > 33 66 F 0.90375784844819 0.62500000000000 0.20869665003104 18.998 > 33 *67 F 0.77784074383275 0.37500000000000 0.53245058904522 18.998 > 34 68 F 0.77784074383275 0.87500000000000 0.53245058904522 18.998 > 34 69 F 0.78538157258346 0.12500000000000 0.82816881361038 18.998 > 35 70 F 0.78538157258346 0.62500000000000 0.82816881361038 18.998 > 35 71 F 0.91392887367068 0.03056038188224 0.08456733271301 18.998 > 36 72 F 0.91392887367068 0.53056038188224 0.08456733271301 18.998 > 36 73 F 0.20941533027034 0.22447733444045 0.33893567562098 18.998 > 37 74 F 0.20941533027034 0.72447733444045 0.33893567562098 18.998 > 37 75 F 0.72215925616725 0.12500000000000 0.03245058904522 18.998 > 38 76 F 0.72215925616725 0.62500000000000 0.03245058904522 18.998 > 38 77 F 0.63337310893254 0.28048691500938 0.44201439135647 18.998 > 39 78 F 0.63337310893254 0.78048691500937 0.44201439135647 18.998 > 39 *79 F 0.06142277329605 0.12500000000000 0.99262781305221 18.998 > 40 80 F 0.06142277329605 0.62500000000000 0.99262781305221 18.998 > 40 81 F 0.28538157258346 0.12500000000000 0.67183118638962 18.998 > 41 82 F 0.28538157258346 0.62500000000000 0.67183118638962 18.998 > 41 83 F 0.87115913872891 0.47245214296204 0.41644005023657 18.998 > 42 84 F 0.87115913872891 0.97245214296204 0.41644005023657 18.998 > 42 85 F 0.36662689106746 0.03048691500938 0.55798560864353 18.998 > 43 86 F 0.36662689106746 0.53048691500937 0.55798560864353 18.998 > 43 87 F 0.37115913872891 0.47245214296204 0.08355994976343 18.998 > 44 88 F 0.37115913872891 0.97245214296204 0.08355994976343 18.998 > 44 89 F 0.12884086127109 0.22245214296204 0.58355994976343 18.998 > 45 90 F 0.12884086127109 0.72245214296204 0.58355994976343 18.998 > 45 91 F 0.41392887367068 0.03056038188224 0.41543266728699 18.998 > 46 92 F 0.41392887367068 0.53056038188224 0.41543266728699 18.998 > 46 93 F 0.63337310893254 0.46951308499062 0.44201439135647 18.998 > 47 94 F 0.63337310893254 0.96951308499063 0.44201439135647 18.998 > 47 95 F 0.29058466972966 0.27552266555955 0.83893567562098 18.998 > 48 96 F 0.29058466972966 0.77552266555955 0.83893567562098 18.998 > 48 97 F 0.27784074383275 0.37500000000000 0.96754941095478 18.998 > 49 98 F 0.27784074383275 0.87500000000000 0.96754941095478 18.998 > 49 99 F 0.58607112632932 0.28056038188224 0.58456733271301 18.998 > 50 100 F 0.58607112632932 0.78056038188224 0.58456733271301 18.998 > 50 101 F 0.12884086127109 0.02754785703796 0.58355994976343 18.998 > 51 102 F 0.12884086127109 0.52754785703796 0.58355994976343 18.998 > 51 103 F 0.86662689106746 0.03048691500938 0.94201439135647 18.998 > 52 104 F 0.86662689106746 0.53048691500937 0.94201439135647 18.998 > 52 105 F 0.08607112632932 0.46943961811776 0.91543266728699 18.998 > 53 106 F 0.08607112632932 0.96943961811776 0.91543266728699 18.998 > 53 107 F 0.87115913872891 0.27754785703796 0.41644005023657 18.998 > 54 108 F 0.87115913872891 0.77754785703796 0.41644005023657 18.998 > 54 109 F 0.37115913872891 0.27754785703796 0.08355994976343 18.998 > 55 110 F 0.37115913872891 0.77754785703796 0.08355994976343 18.998 > 55 111 F 0.40375784844819 0.12500000000000 0.29130334996896 18.998 > 56 112 F 0.40375784844819 0.62500000000000 0.29130334996896 18.998 > 56 113 F 0.93857722670395 0.37500000000000 0.00737218694779 18.998 > 57 114 F 0.93857722670395 0.87500000000000 0.00737218694779 18.998 > 57 115 F 0.41392887367068 0.21943961811776 0.41543266728699 18.998 > 58 116 F 0.41392887367068 0.71943961811776 0.41543266728699 18.998 > 58 117 F 0.08607112632932 0.28056038188224 0.91543266728699 18.998 > 59 118 F 0.08607112632932 0.78056038188224 0.91543266728699 18.998 > 59 119 F 0.36662689106746 0.21951308499062 0.55798560864353 18.998 > 60 120 F 0.36662689106746 0.71951308499063 0.55798560864353 18.998 > 60 121 F 0.09624215155181 0.37500000000000 0.79130334996896 18.998 > 61 122 F 0.09624215155181 0.87500000000000 0.79130334996896 18.998 > 61 123 F 0.70941533027034 0.02552266555955 0.16106432437902 18.998 > 62 124 F 0.70941533027034 0.52552266555955 0.16106432437902 18.998 > 62 125 F 0.22215925616725 0.12500000000000 0.46754941095478 18.998 > 63 126 F 0.22215925616725 0.62500000000000 0.46754941095478 18.998 > 63 127 F 0.62884086127109 0.02754785703796 0.91644005023657 18.998 > 64 128 F 0.62884086127109 0.52754785703796 0.91644005023657 18.998 > 64 129 F 0.59624215155181 0.37500000000000 0.70869665003104 18.998 > 65 130 F 0.59624215155181 0.87500000000000 0.70869665003104 18.998 > 65 131 F 0.71461842741654 0.37500000000000 0.32816881361038 18.998 > 66 132 F 0.71461842741654 0.87500000000000 0.32816881361038 18.998 > 66 133 F 0.56142277329605 0.12500000000000 0.50737218694779 18.998 > 67 134 F 0.56142277329605 0.62500000000000 0.50737218694779 18.998 > 67 135 F 0.13337310893254 0.28048691500938 0.05798560864353 18.998 > 68 136 F 0.13337310893254 0.78048691500937 0.05798560864353 18.998 > 68 137 F 0.70941533027034 0.22447733444045 0.16106432437902 18.998 > 69 138 F 0.70941533027034 0.72447733444045 0.16106432437902 18.998 > 69 139 F 0.79058466972966 0.47447733444045 0.66106432437902 18.998 > 70 140 F 0.79058466972966 0.97447733444045 0.66106432437902 18.998 > 70 141 F 0.43857722670395 0.37500000000000 0.49262781305221 18.998 > 71 142 F 0.43857722670395 0.87500000000000 0.49262781305221 18.998 > 71 143 F 0.29058466972966 0.47447733444045 0.83893567562098 18.998 > 72 144 F 0.29058466972966 0.97447733444045 0.83893567562098 18.998 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0341183 0.0000000 0.0000000 0.0000000 2.0578616 0.0000000 0.0000000 0.0000000 2.0531946 -------------------------- Born effective charges -------------------------- 1 Cs 1.3400068 -0.0000000 0.0146259 0.0000000 1.3849353 -0.0000000 0.0081290 0.0000000 1.2044655 2 Cs 1.2360220 -0.0000000 0.1403097 0.0000000 1.2929743 -0.0000000 0.1398634 0.0000000 1.4328551 3 Cs 1.3400068 -0.0000000 0.0146259 0.0000000 1.3849353 -0.0000000 0.0081290 0.0000000 1.2044655 4 Cs 1.3171550 -0.0000000 0.1479557 0.0000000 1.2972982 -0.0000000 0.1534979 0.0000000 1.3007319 5 Cs 1.3171550 -0.0000000 -0.1479557 0.0000000 1.2972982 -0.0000000 -0.1534979 0.0000000 1.3007319 6 Cs 1.2360220 -0.0000000 -0.1403097 0.0000000 1.2929743 -0.0000000 -0.1398634 0.0000000 1.4328551 7 Cs 1.3171550 -0.0000000 0.1479557 0.0000000 1.2972982 -0.0000000 0.1534979 0.0000000 1.3007319 8 Cs 1.3400068 -0.0000000 -0.0146259 0.0000000 1.3849353 -0.0000000 -0.0081290 0.0000000 1.2044655 9 Cs 1.2360220 -0.0000000 -0.1403097 0.0000000 1.2929743 -0.0000000 -0.1398634 0.0000000 1.4328551 10 Cs 1.3400068 -0.0000000 -0.0146259 0.0000000 1.3849353 -0.0000000 -0.0081290 0.0000000 1.2044655 11 Cs 1.3171550 -0.0000000 -0.1479557 0.0000000 1.2972982 -0.0000000 -0.1534979 0.0000000 1.3007319 12 Cs 1.2360220 -0.0000000 0.1403097 0.0000000 1.2929743 -0.0000000 0.1398634 0.0000000 1.4328551 13 Al 2.7410414 -0.0000000 0.1372294 0.0000000 2.7152163 -0.0000000 0.0119360 0.0000000 2.7781890 14 Al 2.5501040 -0.0000000 -0.0991452 0.0000000 2.7776778 -0.0000000 -0.0875672 0.0000000 2.8955195 15 Al 2.7410414 -0.0000000 -0.1372294 0.0000000 2.7152163 -0.0000000 -0.0119360 0.0000000 2.7781890 16 Al 2.5501040 -0.0000000 0.0991452 0.0000000 2.7776778 -0.0000000 0.0875672 0.0000000 2.8955195 17 Al 2.7410414 -0.0000000 -0.1372294 0.0000000 2.7152163 -0.0000000 -0.0119360 0.0000000 2.7781890 18 Al 2.7410414 -0.0000000 0.1372294 0.0000000 2.7152163 -0.0000000 0.0119360 0.0000000 2.7781890 19 Al 2.5501040 -0.0000000 -0.0991452 0.0000000 2.7776778 -0.0000000 -0.0875672 0.0000000 2.8955195 20 Al 2.8350683 -0.1204201 -0.0007701 -0.1150536 2.9654236 -0.0439858 -0.0146395 -0.0521958 2.7788577 21 Al 2.5501040 -0.0000000 0.0991452 0.0000000 2.7776778 -0.0000000 0.0875672 0.0000000 2.8955195 22 Al 2.8350683 -0.1204201 0.0007701 -0.1150536 2.9654236 0.0439858 0.0146395 0.0521958 2.7788577 23 Al 2.8350683 0.1204201 0.0007701 0.1150536 2.9654236 -0.0439858 0.0146395 -0.0521958 2.7788577 24 Al 2.8350683 0.1204201 -0.0007701 0.1150536 2.9654236 0.0439858 -0.0146395 0.0521958 2.7788577 25 F -0.9725003 -0.2140846 0.2720319 -0.2344171 -0.9713290 0.1567777 0.2593962 0.1339957 -1.1016008 26 F -0.9725003 0.2140846 -0.2720319 0.2344171 -0.9713290 0.1567777 -0.2593962 0.1339957 -1.1016008 27 F -1.1766100 0.2515670 -0.2544708 0.2887035 -0.9899973 0.0401888 -0.2323347 0.0242159 -0.9074553 28 F -0.8872396 0.1661955 -0.0295492 0.1653916 -1.1403907 -0.0403911 -0.0484894 -0.0113922 -1.0444598 29 F -1.0817035 0.0705729 0.0572643 0.0486452 -1.0897811 -0.0485979 0.0599829 -0.0396351 -0.8938022 30 F -1.0134005 -0.0000000 -0.0372635 0.0000000 -0.9059935 -0.0000000 0.0128539 0.0000000 -1.2252533 31 F -0.8872396 -0.1661955 -0.0295492 -0.1653916 -1.1403907 0.0403911 -0.0484894 0.0113922 -1.0444598 32 F -1.1766100 -0.2515670 -0.2544708 -0.2887035 -0.9899973 -0.0401888 -0.2323347 -0.0242159 -0.9074553 33 F -1.1230191 -0.0000000 0.0221267 0.0000000 -0.9276553 -0.0000000 -0.0304483 0.0000000 -1.0600054 34 F -0.7976918 -0.0000000 0.1763179 0.0000000 -0.7726855 -0.0000000 0.1619548 0.0000000 -1.4780799 35 F -1.0134005 -0.0000000 -0.0372635 0.0000000 -0.9059935 -0.0000000 0.0128539 0.0000000 -1.2252533 36 F -0.9725003 0.2140846 0.2720319 0.2344171 -0.9713290 -0.1567777 0.2593962 -0.1339957 -1.1016008 37 F -0.8872396 0.1661955 -0.0295492 0.1653916 -1.1403907 -0.0403911 -0.0484894 -0.0113922 -1.0444598 38 F -0.7976918 -0.0000000 -0.1763179 0.0000000 -0.7726855 -0.0000000 -0.1619548 0.0000000 -1.4780799 39 F -1.1766100 -0.2515670 0.2544708 -0.2887035 -0.9899973 0.0401888 0.2323347 0.0242159 -0.9074553 40 F -0.8491792 -0.0000000 0.0213632 0.0000000 -1.4441950 -0.0000000 0.0160041 0.0000000 -0.7326439 41 F -1.0134005 -0.0000000 0.0372635 0.0000000 -0.9059935 -0.0000000 -0.0128539 0.0000000 -1.2252533 42 F -1.0817035 -0.0705729 -0.0572643 -0.0486452 -1.0897811 -0.0485979 -0.0599829 -0.0396351 -0.8938022 43 F -1.1766100 0.2515670 0.2544708 0.2887035 -0.9899973 -0.0401888 0.2323347 -0.0242159 -0.9074553 44 F -1.0817035 -0.0705729 0.0572643 -0.0486452 -1.0897811 0.0485979 0.0599829 0.0396351 -0.8938022 45 F -1.0817035 0.0705729 -0.0572643 0.0486452 -1.0897811 0.0485979 -0.0599829 0.0396351 -0.8938022 46 F -0.9725003 0.2140846 -0.2720319 0.2344171 -0.9713290 0.1567777 -0.2593962 0.1339957 -1.1016008 47 F -1.1766100 0.2515670 0.2544708 0.2887035 -0.9899973 -0.0401888 0.2323347 -0.0242159 -0.9074553 48 F -0.8872396 0.1661955 0.0295492 0.1653916 -1.1403907 0.0403911 0.0484894 0.0113922 -1.0444598 49 F -0.7976918 -0.0000000 -0.1763179 0.0000000 -0.7726855 -0.0000000 -0.1619548 0.0000000 -1.4780799 50 F -0.9725003 -0.2140846 -0.2720319 -0.2344171 -0.9713290 -0.1567777 -0.2593962 -0.1339957 -1.1016008 51 F -1.0817035 -0.0705729 -0.0572643 -0.0486452 -1.0897811 -0.0485979 -0.0599829 -0.0396351 -0.8938022 52 F -1.1766100 0.2515670 -0.2544708 0.2887035 -0.9899973 0.0401888 -0.2323347 0.0242159 -0.9074553 53 F -0.9725003 0.2140846 0.2720319 0.2344171 -0.9713290 -0.1567777 0.2593962 -0.1339957 -1.1016008 54 F -1.0817035 0.0705729 -0.0572643 0.0486452 -1.0897811 0.0485979 -0.0599829 0.0396351 -0.8938022 55 F -1.0817035 0.0705729 0.0572643 0.0486452 -1.0897811 -0.0485979 0.0599829 -0.0396351 -0.8938022 56 F -1.1230191 -0.0000000 -0.0221267 0.0000000 -0.9276553 -0.0000000 0.0304483 0.0000000 -1.0600054 57 F -0.8491792 -0.0000000 0.0213632 0.0000000 -1.4441950 -0.0000000 0.0160041 0.0000000 -0.7326439 58 F -0.9725003 -0.2140846 -0.2720319 -0.2344171 -0.9713290 -0.1567777 -0.2593962 -0.1339957 -1.1016008 59 F -0.9725003 -0.2140846 0.2720319 -0.2344171 -0.9713290 0.1567777 0.2593962 0.1339957 -1.1016008 60 F -1.1766100 -0.2515670 0.2544708 -0.2887035 -0.9899973 0.0401888 0.2323347 0.0242159 -0.9074553 61 F -1.1230191 -0.0000000 0.0221267 0.0000000 -0.9276553 -0.0000000 -0.0304483 0.0000000 -1.0600054 62 F -0.8872396 -0.1661955 0.0295492 -0.1653916 -1.1403907 -0.0403911 0.0484894 -0.0113922 -1.0444598 63 F -0.7976918 -0.0000000 0.1763179 0.0000000 -0.7726855 -0.0000000 0.1619548 0.0000000 -1.4780799 64 F -1.0817035 -0.0705729 0.0572643 -0.0486452 -1.0897811 0.0485979 0.0599829 0.0396351 -0.8938022 65 F -1.1230191 -0.0000000 -0.0221267 0.0000000 -0.9276553 -0.0000000 0.0304483 0.0000000 -1.0600054 66 F -1.0134005 -0.0000000 0.0372635 0.0000000 -0.9059935 -0.0000000 -0.0128539 0.0000000 -1.2252533 67 F -0.8491792 -0.0000000 -0.0213632 0.0000000 -1.4441950 -0.0000000 -0.0160041 0.0000000 -0.7326439 68 F -1.1766100 -0.2515670 -0.2544708 -0.2887035 -0.9899973 -0.0401888 -0.2323347 -0.0242159 -0.9074553 69 F -0.8872396 0.1661955 0.0295492 0.1653916 -1.1403907 0.0403911 0.0484894 0.0113922 -1.0444598 70 F -0.8872396 -0.1661955 -0.0295492 -0.1653916 -1.1403907 0.0403911 -0.0484894 0.0113922 -1.0444598 71 F -0.8491792 -0.0000000 -0.0213632 0.0000000 -1.4441950 -0.0000000 -0.0160041 0.0000000 -0.7326439 72 F -0.8872396 -0.1661955 0.0295492 -0.1653916 -1.1403907 -0.0403911 0.0484894 -0.0113922 -1.0444598 ---------------------------------------------------------------------------- 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: 6084 Number of blocks in projector: 6084 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: 1460 Use submatrix version of eigh solver. (1) Block: 500 / 1460 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1460 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 222 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: 1460 / 1460 (1) 436 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1136 / 1136 (1) 128 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1136 / 1136 (1) 128 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6084, 5994), data: False |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1136, 1126), data: False |-- (1136, 18), data: (1136, 28) @ (28, 18) |-- (136, 128), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1136, 1126), data: False |-- (1136, 16), data: (1136, 26) @ (26, 16) |-- (136, 128), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1460, 1432), data: False |-- (1460, 52), data: (1460, 80) @ (80, 52) |-- (460, 436), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 222), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.945 Solver_block: 200 / 1120 - Time: 1.730 Solver_block: 300 / 1120 - Time: 1.728 Solver_block: 400 / 1120 - Time: 1.722 Solver_block: 500 / 1120 - Time: 1.726 Solver_block: 600 / 1120 - Time: 1.724 Solver_block: 700 / 1120 - Time: 1.727 Solver_block: 800 / 1120 - Time: 1.724 Solver_block: 900 / 1120 - Time: 1.725 Solver_block: 1000 / 1120 - Time: 1.726 Solver_block: 1100 / 1120 - Time: 1.725 Solver_block: 1120 / 1120 - Time: 0.582 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.291 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 6084 Number of blocks in projector: 6084 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: 1460 Use submatrix version of eigh solver. (1) Block: 500 / 1460 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1460 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 222 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: 1460 / 1460 (1) 436 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1136 / 1136 (1) 128 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1136 / 1136 (1) 128 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6084, 5994), data: False |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1136, 1126), data: False |-- (1136, 18), data: (1136, 28) @ (28, 18) |-- (136, 128), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1136, 1126), data: False |-- (1136, 16), data: (1136, 26) @ (26, 16) |-- (136, 128), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1460, 1432), data: False |-- (1460, 52), data: (1460, 80) @ (80, 52) |-- (460, 436), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 222), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:36:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:36:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741776640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): 1 Cs 0.88122116676854 0.25000000000000 0.54474391637707 132.905 2 Cs 0.19340201718180 0.25000000000000 0.18243820585620 132.905 3 Cs 0.11877883323146 0.75000000000000 0.45525608362293 132.905 4 Cs 0.42341083372296 0.75000000000000 0.27674177967711 132.905 5 Cs 0.92341083372296 0.75000000000000 0.22325822032289 132.905 6 Cs 0.30659798281820 0.75000000000000 0.68243820585620 132.905 7 Cs 0.57658916627704 0.25000000000000 0.72325822032289 132.905 8 Cs 0.38122116676854 0.25000000000000 0.95525608362293 132.905 9 Cs 0.69340201718179 0.25000000000000 0.31756179414380 132.905 10 Cs 0.61877883323146 0.75000000000000 0.04474391637707 132.905 11 Cs 0.07658916627704 0.25000000000000 0.77674177967711 132.905 12 Cs 0.80659798281821 0.75000000000000 0.81756179414380 132.905 13 Al 0.73818163245507 0.25000000000000 0.92540900970002 26.982 14 Al 0.19828812736973 0.75000000000000 0.87217209006208 26.982 15 Al 0.76181836754493 0.75000000000000 0.42540900970002 26.982 16 Al 0.30171187263027 0.25000000000000 0.37217209006209 26.982 17 Al 0.23818163245507 0.25000000000000 0.57459099029998 26.982 18 Al 0.26181836754493 0.75000000000000 0.07459099029998 26.982 19 Al 0.80171187263027 0.25000000000000 0.12782790993792 26.982 20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 21 Al 0.69828812736973 0.75000000000000 0.62782790993792 26.982 22 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 23 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 25 F 0.91392887367068 0.43887923623552 0.08456733271301 18.998 26 F 0.58607112632932 0.93887923623552 0.58456733271301 18.998 27 F 0.13337310893254 0.93902616998125 0.05798560864353 18.998 28 F 0.79058466972966 0.55104533111910 0.66106432437902 18.998 29 F 0.62884086127109 0.44490428592407 0.91644005023657 18.998 30 F 0.21461842741654 0.75000000000000 0.17183118638962 18.998 31 F 0.20941533027034 0.05104533111910 0.33893567562098 18.998 32 F 0.86662689106746 0.43902616998125 0.94201439135647 18.998 33 F 0.90375784844819 0.25000000000000 0.20869665003104 18.998 34 F 0.77784074383275 0.75000000000000 0.53245058904522 18.998 35 F 0.78538157258346 0.25000000000000 0.82816881361038 18.998 36 F 0.91392887367068 0.06112076376448 0.08456733271301 18.998 37 F 0.20941533027034 0.44895466888090 0.33893567562098 18.998 38 F 0.72215925616725 0.25000000000000 0.03245058904522 18.998 39 F 0.63337310893254 0.56097383001875 0.44201439135647 18.998 40 F 0.06142277329605 0.25000000000000 0.99262781305221 18.998 41 F 0.28538157258346 0.25000000000000 0.67183118638962 18.998 42 F 0.87115913872891 0.94490428592407 0.41644005023657 18.998 43 F 0.36662689106746 0.06097383001875 0.55798560864353 18.998 44 F 0.37115913872891 0.94490428592407 0.08355994976343 18.998 45 F 0.12884086127109 0.44490428592407 0.58355994976343 18.998 46 F 0.41392887367068 0.06112076376448 0.41543266728699 18.998 47 F 0.63337310893254 0.93902616998125 0.44201439135647 18.998 48 F 0.29058466972966 0.55104533111910 0.83893567562098 18.998 49 F 0.27784074383275 0.75000000000000 0.96754941095478 18.998 50 F 0.58607112632932 0.56112076376448 0.58456733271301 18.998 51 F 0.12884086127109 0.05509571407593 0.58355994976343 18.998 52 F 0.86662689106746 0.06097383001875 0.94201439135647 18.998 53 F 0.08607112632932 0.93887923623552 0.91543266728699 18.998 54 F 0.87115913872891 0.55509571407593 0.41644005023657 18.998 55 F 0.37115913872891 0.55509571407593 0.08355994976343 18.998 56 F 0.40375784844819 0.25000000000000 0.29130334996896 18.998 57 F 0.93857722670395 0.75000000000000 0.00737218694779 18.998 58 F 0.41392887367068 0.43887923623552 0.41543266728699 18.998 59 F 0.08607112632932 0.56112076376448 0.91543266728699 18.998 60 F 0.36662689106746 0.43902616998125 0.55798560864353 18.998 61 F 0.09624215155181 0.75000000000000 0.79130334996896 18.998 62 F 0.70941533027034 0.05104533111910 0.16106432437902 18.998 63 F 0.22215925616725 0.25000000000000 0.46754941095478 18.998 64 F 0.62884086127109 0.05509571407593 0.91644005023657 18.998 65 F 0.59624215155181 0.75000000000000 0.70869665003104 18.998 66 F 0.71461842741654 0.75000000000000 0.32816881361038 18.998 67 F 0.56142277329605 0.25000000000000 0.50737218694779 18.998 68 F 0.13337310893254 0.56097383001875 0.05798560864353 18.998 69 F 0.70941533027034 0.44895466888090 0.16106432437902 18.998 70 F 0.79058466972966 0.94895466888090 0.66106432437902 18.998 71 F 0.43857722670395 0.75000000000000 0.49262781305221 18.998 72 F 0.29058466972966 0.94895466888090 0.83893567562098 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.483553280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): 1 Cs 0.88122116676854 0.12500000000000 0.54474391637707 132.905 > 1 2 Cs 0.88122116676854 0.62500000000000 0.54474391637707 132.905 > 1 3 Cs 0.19340201718180 0.12500000000000 0.18243820585620 132.905 > 3 4 Cs 0.19340201718180 0.62500000000000 0.18243820585620 132.905 > 3 5 Cs 0.11877883323146 0.37500000000000 0.45525608362293 132.905 > 5 6 Cs 0.11877883323146 0.87500000000000 0.45525608362293 132.905 > 5 7 Cs 0.42341083372296 0.37500000000000 0.27674177967711 132.905 > 7 8 Cs 0.42341083372296 0.87500000000000 0.27674177967711 132.905 > 7 9 Cs 0.92341083372296 0.37500000000000 0.22325822032289 132.905 > 9 10 Cs 0.92341083372296 0.87500000000000 0.22325822032289 132.905 > 9 11 Cs 0.30659798281820 0.37500000000000 0.68243820585620 132.905 > 11 12 Cs 0.30659798281820 0.87500000000000 0.68243820585620 132.905 > 11 13 Cs 0.57658916627704 0.12500000000000 0.72325822032289 132.905 > 13 14 Cs 0.57658916627704 0.62500000000000 0.72325822032289 132.905 > 13 15 Cs 0.38122116676854 0.12500000000000 0.95525608362293 132.905 > 15 16 Cs 0.38122116676854 0.62500000000000 0.95525608362293 132.905 > 15 17 Cs 0.69340201718179 0.12500000000000 0.31756179414380 132.905 > 17 18 Cs 0.69340201718179 0.62500000000000 0.31756179414380 132.905 > 17 19 Cs 0.61877883323146 0.37500000000000 0.04474391637707 132.905 > 19 20 Cs 0.61877883323146 0.87500000000000 0.04474391637707 132.905 > 19 21 Cs 0.07658916627704 0.12500000000000 0.77674177967711 132.905 > 21 22 Cs 0.07658916627704 0.62500000000000 0.77674177967711 132.905 > 21 23 Cs 0.80659798281821 0.37500000000000 0.81756179414380 132.905 > 23 24 Cs 0.80659798281821 0.87500000000000 0.81756179414380 132.905 > 23 25 Al 0.73818163245507 0.12500000000000 0.92540900970002 26.982 > 25 26 Al 0.73818163245507 0.62500000000000 0.92540900970002 26.982 > 25 27 Al 0.19828812736973 0.37500000000000 0.87217209006208 26.982 > 27 28 Al 0.19828812736973 0.87500000000000 0.87217209006208 26.982 > 27 29 Al 0.76181836754493 0.37500000000000 0.42540900970002 26.982 > 29 30 Al 0.76181836754493 0.87500000000000 0.42540900970002 26.982 > 29 31 Al 0.30171187263027 0.12500000000000 0.37217209006209 26.982 > 31 32 Al 0.30171187263027 0.62500000000000 0.37217209006209 26.982 > 31 33 Al 0.23818163245507 0.12500000000000 0.57459099029998 26.982 > 33 34 Al 0.23818163245507 0.62500000000000 0.57459099029998 26.982 > 33 35 Al 0.26181836754493 0.37500000000000 0.07459099029998 26.982 > 35 36 Al 0.26181836754493 0.87500000000000 0.07459099029998 26.982 > 35 37 Al 0.80171187263027 0.12500000000000 0.12782790993792 26.982 > 37 38 Al 0.80171187263027 0.62500000000000 0.12782790993792 26.982 > 37 39 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 39 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 39 41 Al 0.69828812736973 0.37500000000000 0.62782790993792 26.982 > 41 42 Al 0.69828812736973 0.87500000000000 0.62782790993792 26.982 > 41 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 43 44 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 43 45 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 45 46 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 45 47 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 47 48 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 47 49 F 0.91392887367068 0.21943961811776 0.08456733271301 18.998 > 49 50 F 0.91392887367068 0.71943961811776 0.08456733271301 18.998 > 49 51 F 0.58607112632932 0.46943961811776 0.58456733271301 18.998 > 51 52 F 0.58607112632932 0.96943961811776 0.58456733271301 18.998 > 51 53 F 0.13337310893254 0.46951308499062 0.05798560864353 18.998 > 53 54 F 0.13337310893254 0.96951308499063 0.05798560864353 18.998 > 53 55 F 0.79058466972966 0.27552266555955 0.66106432437902 18.998 > 55 56 F 0.79058466972966 0.77552266555955 0.66106432437902 18.998 > 55 57 F 0.62884086127109 0.22245214296204 0.91644005023657 18.998 > 57 58 F 0.62884086127109 0.72245214296204 0.91644005023657 18.998 > 57 59 F 0.21461842741654 0.37500000000000 0.17183118638962 18.998 > 59 60 F 0.21461842741654 0.87500000000000 0.17183118638962 18.998 > 59 61 F 0.20941533027034 0.02552266555955 0.33893567562098 18.998 > 61 62 F 0.20941533027034 0.52552266555955 0.33893567562098 18.998 > 61 63 F 0.86662689106746 0.21951308499062 0.94201439135647 18.998 > 63 64 F 0.86662689106746 0.71951308499063 0.94201439135647 18.998 > 63 65 F 0.90375784844819 0.12500000000000 0.20869665003104 18.998 > 65 66 F 0.90375784844819 0.62500000000000 0.20869665003104 18.998 > 65 67 F 0.77784074383275 0.37500000000000 0.53245058904522 18.998 > 67 68 F 0.77784074383275 0.87500000000000 0.53245058904522 18.998 > 67 69 F 0.78538157258346 0.12500000000000 0.82816881361038 18.998 > 69 70 F 0.78538157258346 0.62500000000000 0.82816881361038 18.998 > 69 71 F 0.91392887367068 0.03056038188224 0.08456733271301 18.998 > 71 72 F 0.91392887367068 0.53056038188224 0.08456733271301 18.998 > 71 73 F 0.20941533027034 0.22447733444045 0.33893567562098 18.998 > 73 74 F 0.20941533027034 0.72447733444045 0.33893567562098 18.998 > 73 75 F 0.72215925616725 0.12500000000000 0.03245058904522 18.998 > 75 76 F 0.72215925616725 0.62500000000000 0.03245058904522 18.998 > 75 77 F 0.63337310893254 0.28048691500938 0.44201439135647 18.998 > 77 78 F 0.63337310893254 0.78048691500937 0.44201439135647 18.998 > 77 79 F 0.06142277329605 0.12500000000000 0.99262781305221 18.998 > 79 80 F 0.06142277329605 0.62500000000000 0.99262781305221 18.998 > 79 81 F 0.28538157258346 0.12500000000000 0.67183118638962 18.998 > 81 82 F 0.28538157258346 0.62500000000000 0.67183118638962 18.998 > 81 83 F 0.87115913872891 0.47245214296204 0.41644005023657 18.998 > 83 84 F 0.87115913872891 0.97245214296204 0.41644005023657 18.998 > 83 85 F 0.36662689106746 0.03048691500938 0.55798560864353 18.998 > 85 86 F 0.36662689106746 0.53048691500937 0.55798560864353 18.998 > 85 87 F 0.37115913872891 0.47245214296204 0.08355994976343 18.998 > 87 88 F 0.37115913872891 0.97245214296204 0.08355994976343 18.998 > 87 89 F 0.12884086127109 0.22245214296204 0.58355994976343 18.998 > 89 90 F 0.12884086127109 0.72245214296204 0.58355994976343 18.998 > 89 91 F 0.41392887367068 0.03056038188224 0.41543266728699 18.998 > 91 92 F 0.41392887367068 0.53056038188224 0.41543266728699 18.998 > 91 93 F 0.63337310893254 0.46951308499062 0.44201439135647 18.998 > 93 94 F 0.63337310893254 0.96951308499063 0.44201439135647 18.998 > 93 95 F 0.29058466972966 0.27552266555955 0.83893567562098 18.998 > 95 96 F 0.29058466972966 0.77552266555955 0.83893567562098 18.998 > 95 97 F 0.27784074383275 0.37500000000000 0.96754941095478 18.998 > 97 98 F 0.27784074383275 0.87500000000000 0.96754941095478 18.998 > 97 99 F 0.58607112632932 0.28056038188224 0.58456733271301 18.998 > 99 100 F 0.58607112632932 0.78056038188224 0.58456733271301 18.998 > 99 101 F 0.12884086127109 0.02754785703796 0.58355994976343 18.998 > 101 102 F 0.12884086127109 0.52754785703796 0.58355994976343 18.998 > 101 103 F 0.86662689106746 0.03048691500938 0.94201439135647 18.998 > 103 104 F 0.86662689106746 0.53048691500937 0.94201439135647 18.998 > 103 105 F 0.08607112632932 0.46943961811776 0.91543266728699 18.998 > 105 106 F 0.08607112632932 0.96943961811776 0.91543266728699 18.998 > 105 107 F 0.87115913872891 0.27754785703796 0.41644005023657 18.998 > 107 108 F 0.87115913872891 0.77754785703796 0.41644005023657 18.998 > 107 109 F 0.37115913872891 0.27754785703796 0.08355994976343 18.998 > 109 110 F 0.37115913872891 0.77754785703796 0.08355994976343 18.998 > 109 111 F 0.40375784844819 0.12500000000000 0.29130334996896 18.998 > 111 112 F 0.40375784844819 0.62500000000000 0.29130334996896 18.998 > 111 113 F 0.93857722670395 0.37500000000000 0.00737218694779 18.998 > 113 114 F 0.93857722670395 0.87500000000000 0.00737218694779 18.998 > 113 115 F 0.41392887367068 0.21943961811776 0.41543266728699 18.998 > 115 116 F 0.41392887367068 0.71943961811776 0.41543266728699 18.998 > 115 117 F 0.08607112632932 0.28056038188224 0.91543266728699 18.998 > 117 118 F 0.08607112632932 0.78056038188224 0.91543266728699 18.998 > 117 119 F 0.36662689106746 0.21951308499062 0.55798560864353 18.998 > 119 120 F 0.36662689106746 0.71951308499063 0.55798560864353 18.998 > 119 121 F 0.09624215155181 0.37500000000000 0.79130334996896 18.998 > 121 122 F 0.09624215155181 0.87500000000000 0.79130334996896 18.998 > 121 123 F 0.70941533027034 0.02552266555955 0.16106432437902 18.998 > 123 124 F 0.70941533027034 0.52552266555955 0.16106432437902 18.998 > 123 125 F 0.22215925616725 0.12500000000000 0.46754941095478 18.998 > 125 126 F 0.22215925616725 0.62500000000000 0.46754941095478 18.998 > 125 127 F 0.62884086127109 0.02754785703796 0.91644005023657 18.998 > 127 128 F 0.62884086127109 0.52754785703796 0.91644005023657 18.998 > 127 129 F 0.59624215155181 0.37500000000000 0.70869665003104 18.998 > 129 130 F 0.59624215155181 0.87500000000000 0.70869665003104 18.998 > 129 131 F 0.71461842741654 0.37500000000000 0.32816881361038 18.998 > 131 132 F 0.71461842741654 0.87500000000000 0.32816881361038 18.998 > 131 133 F 0.56142277329605 0.12500000000000 0.50737218694779 18.998 > 133 134 F 0.56142277329605 0.62500000000000 0.50737218694779 18.998 > 133 135 F 0.13337310893254 0.28048691500938 0.05798560864353 18.998 > 135 136 F 0.13337310893254 0.78048691500937 0.05798560864353 18.998 > 135 137 F 0.70941533027034 0.22447733444045 0.16106432437902 18.998 > 137 138 F 0.70941533027034 0.72447733444045 0.16106432437902 18.998 > 137 139 F 0.79058466972966 0.47447733444045 0.66106432437902 18.998 > 139 140 F 0.79058466972966 0.97447733444045 0.66106432437902 18.998 > 139 141 F 0.43857722670395 0.37500000000000 0.49262781305221 18.998 > 141 142 F 0.43857722670395 0.87500000000000 0.49262781305221 18.998 > 141 143 F 0.29058466972966 0.47447733444045 0.83893567562098 18.998 > 143 144 F 0.29058466972966 0.97447733444045 0.83893567562098 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0341183 0.0000000 0.0000000 0.0000000 2.0578616 0.0000000 0.0000000 0.0000000 2.0531946 -------------------------- Born effective charges -------------------------- 1 Cs 1.3400068 -0.0000000 0.0146259 0.0000000 1.3849353 -0.0000000 0.0081290 0.0000000 1.2044655 2 Cs 1.2360220 -0.0000000 0.1403097 0.0000000 1.2929743 -0.0000000 0.1398634 0.0000000 1.4328551 3 Cs 1.3400068 -0.0000000 0.0146259 0.0000000 1.3849353 -0.0000000 0.0081290 0.0000000 1.2044655 4 Cs 1.3171550 -0.0000000 0.1479557 0.0000000 1.2972982 -0.0000000 0.1534979 0.0000000 1.3007319 5 Cs 1.3171550 -0.0000000 -0.1479557 0.0000000 1.2972982 -0.0000000 -0.1534979 0.0000000 1.3007319 6 Cs 1.2360220 -0.0000000 -0.1403097 0.0000000 1.2929743 -0.0000000 -0.1398634 0.0000000 1.4328551 7 Cs 1.3171550 -0.0000000 0.1479557 0.0000000 1.2972982 -0.0000000 0.1534979 0.0000000 1.3007319 8 Cs 1.3400068 -0.0000000 -0.0146259 0.0000000 1.3849353 -0.0000000 -0.0081290 0.0000000 1.2044655 9 Cs 1.2360220 -0.0000000 -0.1403097 0.0000000 1.2929743 -0.0000000 -0.1398634 0.0000000 1.4328551 10 Cs 1.3400068 -0.0000000 -0.0146259 0.0000000 1.3849353 -0.0000000 -0.0081290 0.0000000 1.2044655 11 Cs 1.3171550 -0.0000000 -0.1479557 0.0000000 1.2972982 -0.0000000 -0.1534979 0.0000000 1.3007319 12 Cs 1.2360220 -0.0000000 0.1403097 0.0000000 1.2929743 -0.0000000 0.1398634 0.0000000 1.4328551 13 Al 2.7410414 -0.0000000 0.1372294 0.0000000 2.7152163 -0.0000000 0.0119360 0.0000000 2.7781890 14 Al 2.5501040 -0.0000000 -0.0991452 0.0000000 2.7776778 -0.0000000 -0.0875672 0.0000000 2.8955195 15 Al 2.7410414 -0.0000000 -0.1372294 0.0000000 2.7152163 -0.0000000 -0.0119360 0.0000000 2.7781890 16 Al 2.5501040 -0.0000000 0.0991452 0.0000000 2.7776778 -0.0000000 0.0875672 0.0000000 2.8955195 17 Al 2.7410414 -0.0000000 -0.1372294 0.0000000 2.7152163 -0.0000000 -0.0119360 0.0000000 2.7781890 18 Al 2.7410414 -0.0000000 0.1372294 0.0000000 2.7152163 -0.0000000 0.0119360 0.0000000 2.7781890 19 Al 2.5501040 -0.0000000 -0.0991452 0.0000000 2.7776778 -0.0000000 -0.0875672 0.0000000 2.8955195 20 Al 2.8350683 -0.1204201 -0.0007701 -0.1150536 2.9654236 -0.0439858 -0.0146395 -0.0521958 2.7788577 21 Al 2.5501040 -0.0000000 0.0991452 0.0000000 2.7776778 -0.0000000 0.0875672 0.0000000 2.8955195 22 Al 2.8350683 -0.1204201 0.0007701 -0.1150536 2.9654236 0.0439858 0.0146395 0.0521958 2.7788577 23 Al 2.8350683 0.1204201 0.0007701 0.1150536 2.9654236 -0.0439858 0.0146395 -0.0521958 2.7788577 24 Al 2.8350683 0.1204201 -0.0007701 0.1150536 2.9654236 0.0439858 -0.0146395 0.0521958 2.7788577 25 F -0.9725003 -0.2140846 0.2720319 -0.2344171 -0.9713290 0.1567777 0.2593962 0.1339957 -1.1016008 26 F -0.9725003 0.2140846 -0.2720319 0.2344171 -0.9713290 0.1567777 -0.2593962 0.1339957 -1.1016008 27 F -1.1766100 0.2515670 -0.2544708 0.2887035 -0.9899973 0.0401888 -0.2323347 0.0242159 -0.9074553 28 F -0.8872396 0.1661955 -0.0295492 0.1653916 -1.1403907 -0.0403911 -0.0484894 -0.0113922 -1.0444598 29 F -1.0817035 0.0705729 0.0572643 0.0486452 -1.0897811 -0.0485979 0.0599829 -0.0396351 -0.8938022 30 F -1.0134005 -0.0000000 -0.0372635 0.0000000 -0.9059935 -0.0000000 0.0128539 0.0000000 -1.2252533 31 F -0.8872396 -0.1661955 -0.0295492 -0.1653916 -1.1403907 0.0403911 -0.0484894 0.0113922 -1.0444598 32 F -1.1766100 -0.2515670 -0.2544708 -0.2887035 -0.9899973 -0.0401888 -0.2323347 -0.0242159 -0.9074553 33 F -1.1230191 -0.0000000 0.0221267 0.0000000 -0.9276553 -0.0000000 -0.0304483 0.0000000 -1.0600054 34 F -0.7976918 -0.0000000 0.1763179 0.0000000 -0.7726855 -0.0000000 0.1619548 0.0000000 -1.4780799 35 F -1.0134005 -0.0000000 -0.0372635 0.0000000 -0.9059935 -0.0000000 0.0128539 0.0000000 -1.2252533 36 F -0.9725003 0.2140846 0.2720319 0.2344171 -0.9713290 -0.1567777 0.2593962 -0.1339957 -1.1016008 37 F -0.8872396 0.1661955 -0.0295492 0.1653916 -1.1403907 -0.0403911 -0.0484894 -0.0113922 -1.0444598 38 F -0.7976918 -0.0000000 -0.1763179 0.0000000 -0.7726855 -0.0000000 -0.1619548 0.0000000 -1.4780799 39 F -1.1766100 -0.2515670 0.2544708 -0.2887035 -0.9899973 0.0401888 0.2323347 0.0242159 -0.9074553 40 F -0.8491792 -0.0000000 0.0213632 0.0000000 -1.4441950 -0.0000000 0.0160041 0.0000000 -0.7326439 41 F -1.0134005 -0.0000000 0.0372635 0.0000000 -0.9059935 -0.0000000 -0.0128539 0.0000000 -1.2252533 42 F -1.0817035 -0.0705729 -0.0572643 -0.0486452 -1.0897811 -0.0485979 -0.0599829 -0.0396351 -0.8938022 43 F -1.1766100 0.2515670 0.2544708 0.2887035 -0.9899973 -0.0401888 0.2323347 -0.0242159 -0.9074553 44 F -1.0817035 -0.0705729 0.0572643 -0.0486452 -1.0897811 0.0485979 0.0599829 0.0396351 -0.8938022 45 F -1.0817035 0.0705729 -0.0572643 0.0486452 -1.0897811 0.0485979 -0.0599829 0.0396351 -0.8938022 46 F -0.9725003 0.2140846 -0.2720319 0.2344171 -0.9713290 0.1567777 -0.2593962 0.1339957 -1.1016008 47 F -1.1766100 0.2515670 0.2544708 0.2887035 -0.9899973 -0.0401888 0.2323347 -0.0242159 -0.9074553 48 F -0.8872396 0.1661955 0.0295492 0.1653916 -1.1403907 0.0403911 0.0484894 0.0113922 -1.0444598 49 F -0.7976918 -0.0000000 -0.1763179 0.0000000 -0.7726855 -0.0000000 -0.1619548 0.0000000 -1.4780799 50 F -0.9725003 -0.2140846 -0.2720319 -0.2344171 -0.9713290 -0.1567777 -0.2593962 -0.1339957 -1.1016008 51 F -1.0817035 -0.0705729 -0.0572643 -0.0486452 -1.0897811 -0.0485979 -0.0599829 -0.0396351 -0.8938022 52 F -1.1766100 0.2515670 -0.2544708 0.2887035 -0.9899973 0.0401888 -0.2323347 0.0242159 -0.9074553 53 F -0.9725003 0.2140846 0.2720319 0.2344171 -0.9713290 -0.1567777 0.2593962 -0.1339957 -1.1016008 54 F -1.0817035 0.0705729 -0.0572643 0.0486452 -1.0897811 0.0485979 -0.0599829 0.0396351 -0.8938022 55 F -1.0817035 0.0705729 0.0572643 0.0486452 -1.0897811 -0.0485979 0.0599829 -0.0396351 -0.8938022 56 F -1.1230191 -0.0000000 -0.0221267 0.0000000 -0.9276553 -0.0000000 0.0304483 0.0000000 -1.0600054 57 F -0.8491792 -0.0000000 0.0213632 0.0000000 -1.4441950 -0.0000000 0.0160041 0.0000000 -0.7326439 58 F -0.9725003 -0.2140846 -0.2720319 -0.2344171 -0.9713290 -0.1567777 -0.2593962 -0.1339957 -1.1016008 59 F -0.9725003 -0.2140846 0.2720319 -0.2344171 -0.9713290 0.1567777 0.2593962 0.1339957 -1.1016008 60 F -1.1766100 -0.2515670 0.2544708 -0.2887035 -0.9899973 0.0401888 0.2323347 0.0242159 -0.9074553 61 F -1.1230191 -0.0000000 0.0221267 0.0000000 -0.9276553 -0.0000000 -0.0304483 0.0000000 -1.0600054 62 F -0.8872396 -0.1661955 0.0295492 -0.1653916 -1.1403907 -0.0403911 0.0484894 -0.0113922 -1.0444598 63 F -0.7976918 -0.0000000 0.1763179 0.0000000 -0.7726855 -0.0000000 0.1619548 0.0000000 -1.4780799 64 F -1.0817035 -0.0705729 0.0572643 -0.0486452 -1.0897811 0.0485979 0.0599829 0.0396351 -0.8938022 65 F -1.1230191 -0.0000000 -0.0221267 0.0000000 -0.9276553 -0.0000000 0.0304483 0.0000000 -1.0600054 66 F -1.0134005 -0.0000000 0.0372635 0.0000000 -0.9059935 -0.0000000 -0.0128539 0.0000000 -1.2252533 67 F -0.8491792 -0.0000000 -0.0213632 0.0000000 -1.4441950 -0.0000000 -0.0160041 0.0000000 -0.7326439 68 F -1.1766100 -0.2515670 -0.2544708 -0.2887035 -0.9899973 -0.0401888 -0.2323347 -0.0242159 -0.9074553 69 F -0.8872396 0.1661955 0.0295492 0.1653916 -1.1403907 0.0403911 0.0484894 0.0113922 -1.0444598 70 F -0.8872396 -0.1661955 -0.0295492 -0.1653916 -1.1403907 0.0403911 -0.0484894 0.0113922 -1.0444598 71 F -0.8491792 -0.0000000 -0.0213632 0.0000000 -1.4441950 -0.0000000 -0.0160041 0.0000000 -0.7326439 72 F -0.8872396 -0.1661955 0.0295492 -0.1653916 -1.1403907 -0.0403911 0.0484894 -0.0113922 -1.0444598 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 19:38:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:38:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741776640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): 1 Cs 0.88122116676854 0.25000000000000 0.54474391637707 132.905 2 Cs 0.19340201718180 0.25000000000000 0.18243820585620 132.905 3 Cs 0.11877883323146 0.75000000000000 0.45525608362293 132.905 4 Cs 0.42341083372296 0.75000000000000 0.27674177967711 132.905 5 Cs 0.92341083372296 0.75000000000000 0.22325822032289 132.905 6 Cs 0.30659798281820 0.75000000000000 0.68243820585620 132.905 7 Cs 0.57658916627704 0.25000000000000 0.72325822032289 132.905 8 Cs 0.38122116676854 0.25000000000000 0.95525608362293 132.905 9 Cs 0.69340201718179 0.25000000000000 0.31756179414380 132.905 10 Cs 0.61877883323146 0.75000000000000 0.04474391637707 132.905 11 Cs 0.07658916627704 0.25000000000000 0.77674177967711 132.905 12 Cs 0.80659798281821 0.75000000000000 0.81756179414380 132.905 13 Al 0.73818163245507 0.25000000000000 0.92540900970002 26.982 14 Al 0.19828812736973 0.75000000000000 0.87217209006208 26.982 15 Al 0.76181836754493 0.75000000000000 0.42540900970002 26.982 16 Al 0.30171187263027 0.25000000000000 0.37217209006209 26.982 17 Al 0.23818163245507 0.25000000000000 0.57459099029998 26.982 18 Al 0.26181836754493 0.75000000000000 0.07459099029998 26.982 19 Al 0.80171187263027 0.25000000000000 0.12782790993792 26.982 20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 21 Al 0.69828812736973 0.75000000000000 0.62782790993792 26.982 22 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 23 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 25 F 0.91392887367068 0.43887923623552 0.08456733271301 18.998 26 F 0.58607112632932 0.93887923623552 0.58456733271301 18.998 27 F 0.13337310893254 0.93902616998125 0.05798560864353 18.998 28 F 0.79058466972966 0.55104533111910 0.66106432437902 18.998 29 F 0.62884086127109 0.44490428592407 0.91644005023657 18.998 30 F 0.21461842741654 0.75000000000000 0.17183118638962 18.998 31 F 0.20941533027034 0.05104533111910 0.33893567562098 18.998 32 F 0.86662689106746 0.43902616998125 0.94201439135647 18.998 33 F 0.90375784844819 0.25000000000000 0.20869665003104 18.998 34 F 0.77784074383275 0.75000000000000 0.53245058904522 18.998 35 F 0.78538157258346 0.25000000000000 0.82816881361038 18.998 36 F 0.91392887367068 0.06112076376448 0.08456733271301 18.998 37 F 0.20941533027034 0.44895466888090 0.33893567562098 18.998 38 F 0.72215925616725 0.25000000000000 0.03245058904522 18.998 39 F 0.63337310893254 0.56097383001875 0.44201439135647 18.998 40 F 0.06142277329605 0.25000000000000 0.99262781305221 18.998 41 F 0.28538157258346 0.25000000000000 0.67183118638962 18.998 42 F 0.87115913872891 0.94490428592407 0.41644005023657 18.998 43 F 0.36662689106746 0.06097383001875 0.55798560864353 18.998 44 F 0.37115913872891 0.94490428592407 0.08355994976343 18.998 45 F 0.12884086127109 0.44490428592407 0.58355994976343 18.998 46 F 0.41392887367068 0.06112076376448 0.41543266728699 18.998 47 F 0.63337310893254 0.93902616998125 0.44201439135647 18.998 48 F 0.29058466972966 0.55104533111910 0.83893567562098 18.998 49 F 0.27784074383275 0.75000000000000 0.96754941095478 18.998 50 F 0.58607112632932 0.56112076376448 0.58456733271301 18.998 51 F 0.12884086127109 0.05509571407593 0.58355994976343 18.998 52 F 0.86662689106746 0.06097383001875 0.94201439135647 18.998 53 F 0.08607112632932 0.93887923623552 0.91543266728699 18.998 54 F 0.87115913872891 0.55509571407593 0.41644005023657 18.998 55 F 0.37115913872891 0.55509571407593 0.08355994976343 18.998 56 F 0.40375784844819 0.25000000000000 0.29130334996896 18.998 57 F 0.93857722670395 0.75000000000000 0.00737218694779 18.998 58 F 0.41392887367068 0.43887923623552 0.41543266728699 18.998 59 F 0.08607112632932 0.56112076376448 0.91543266728699 18.998 60 F 0.36662689106746 0.43902616998125 0.55798560864353 18.998 61 F 0.09624215155181 0.75000000000000 0.79130334996896 18.998 62 F 0.70941533027034 0.05104533111910 0.16106432437902 18.998 63 F 0.22215925616725 0.25000000000000 0.46754941095478 18.998 64 F 0.62884086127109 0.05509571407593 0.91644005023657 18.998 65 F 0.59624215155181 0.75000000000000 0.70869665003104 18.998 66 F 0.71461842741654 0.75000000000000 0.32816881361038 18.998 67 F 0.56142277329605 0.25000000000000 0.50737218694779 18.998 68 F 0.13337310893254 0.56097383001875 0.05798560864353 18.998 69 F 0.70941533027034 0.44895466888090 0.16106432437902 18.998 70 F 0.79058466972966 0.94895466888090 0.66106432437902 18.998 71 F 0.43857722670395 0.75000000000000 0.49262781305221 18.998 72 F 0.29058466972966 0.94895466888090 0.83893567562098 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.614294189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.483553280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.560446339999999 Atomic positions (fractional): 1 Cs 0.88122116676854 0.12500000000000 0.54474391637707 132.905 > 1 2 Cs 0.88122116676854 0.62500000000000 0.54474391637707 132.905 > 1 3 Cs 0.19340201718180 0.12500000000000 0.18243820585620 132.905 > 3 4 Cs 0.19340201718180 0.62500000000000 0.18243820585620 132.905 > 3 5 Cs 0.11877883323146 0.37500000000000 0.45525608362293 132.905 > 5 6 Cs 0.11877883323146 0.87500000000000 0.45525608362293 132.905 > 5 7 Cs 0.42341083372296 0.37500000000000 0.27674177967711 132.905 > 7 8 Cs 0.42341083372296 0.87500000000000 0.27674177967711 132.905 > 7 9 Cs 0.92341083372296 0.37500000000000 0.22325822032289 132.905 > 9 10 Cs 0.92341083372296 0.87500000000000 0.22325822032289 132.905 > 9 11 Cs 0.30659798281820 0.37500000000000 0.68243820585620 132.905 > 11 12 Cs 0.30659798281820 0.87500000000000 0.68243820585620 132.905 > 11 13 Cs 0.57658916627704 0.12500000000000 0.72325822032289 132.905 > 13 14 Cs 0.57658916627704 0.62500000000000 0.72325822032289 132.905 > 13 15 Cs 0.38122116676854 0.12500000000000 0.95525608362293 132.905 > 15 16 Cs 0.38122116676854 0.62500000000000 0.95525608362293 132.905 > 15 17 Cs 0.69340201718179 0.12500000000000 0.31756179414380 132.905 > 17 18 Cs 0.69340201718179 0.62500000000000 0.31756179414380 132.905 > 17 19 Cs 0.61877883323146 0.37500000000000 0.04474391637707 132.905 > 19 20 Cs 0.61877883323146 0.87500000000000 0.04474391637707 132.905 > 19 21 Cs 0.07658916627704 0.12500000000000 0.77674177967711 132.905 > 21 22 Cs 0.07658916627704 0.62500000000000 0.77674177967711 132.905 > 21 23 Cs 0.80659798281821 0.37500000000000 0.81756179414380 132.905 > 23 24 Cs 0.80659798281821 0.87500000000000 0.81756179414380 132.905 > 23 25 Al 0.73818163245507 0.12500000000000 0.92540900970002 26.982 > 25 26 Al 0.73818163245507 0.62500000000000 0.92540900970002 26.982 > 25 27 Al 0.19828812736973 0.37500000000000 0.87217209006208 26.982 > 27 28 Al 0.19828812736973 0.87500000000000 0.87217209006208 26.982 > 27 29 Al 0.76181836754493 0.37500000000000 0.42540900970002 26.982 > 29 30 Al 0.76181836754493 0.87500000000000 0.42540900970002 26.982 > 29 31 Al 0.30171187263027 0.12500000000000 0.37217209006209 26.982 > 31 32 Al 0.30171187263027 0.62500000000000 0.37217209006209 26.982 > 31 33 Al 0.23818163245507 0.12500000000000 0.57459099029998 26.982 > 33 34 Al 0.23818163245507 0.62500000000000 0.57459099029998 26.982 > 33 35 Al 0.26181836754493 0.37500000000000 0.07459099029998 26.982 > 35 36 Al 0.26181836754493 0.87500000000000 0.07459099029998 26.982 > 35 37 Al 0.80171187263027 0.12500000000000 0.12782790993792 26.982 > 37 38 Al 0.80171187263027 0.62500000000000 0.12782790993792 26.982 > 37 39 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 39 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 39 41 Al 0.69828812736973 0.37500000000000 0.62782790993792 26.982 > 41 42 Al 0.69828812736973 0.87500000000000 0.62782790993792 26.982 > 41 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 43 44 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 43 45 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 45 46 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 45 47 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 47 48 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 47 49 F 0.91392887367068 0.21943961811776 0.08456733271301 18.998 > 49 50 F 0.91392887367068 0.71943961811776 0.08456733271301 18.998 > 49 51 F 0.58607112632932 0.46943961811776 0.58456733271301 18.998 > 51 52 F 0.58607112632932 0.96943961811776 0.58456733271301 18.998 > 51 53 F 0.13337310893254 0.46951308499062 0.05798560864353 18.998 > 53 54 F 0.13337310893254 0.96951308499063 0.05798560864353 18.998 > 53 55 F 0.79058466972966 0.27552266555955 0.66106432437902 18.998 > 55 56 F 0.79058466972966 0.77552266555955 0.66106432437902 18.998 > 55 57 F 0.62884086127109 0.22245214296204 0.91644005023657 18.998 > 57 58 F 0.62884086127109 0.72245214296204 0.91644005023657 18.998 > 57 59 F 0.21461842741654 0.37500000000000 0.17183118638962 18.998 > 59 60 F 0.21461842741654 0.87500000000000 0.17183118638962 18.998 > 59 61 F 0.20941533027034 0.02552266555955 0.33893567562098 18.998 > 61 62 F 0.20941533027034 0.52552266555955 0.33893567562098 18.998 > 61 63 F 0.86662689106746 0.21951308499062 0.94201439135647 18.998 > 63 64 F 0.86662689106746 0.71951308499063 0.94201439135647 18.998 > 63 65 F 0.90375784844819 0.12500000000000 0.20869665003104 18.998 > 65 66 F 0.90375784844819 0.62500000000000 0.20869665003104 18.998 > 65 67 F 0.77784074383275 0.37500000000000 0.53245058904522 18.998 > 67 68 F 0.77784074383275 0.87500000000000 0.53245058904522 18.998 > 67 69 F 0.78538157258346 0.12500000000000 0.82816881361038 18.998 > 69 70 F 0.78538157258346 0.62500000000000 0.82816881361038 18.998 > 69 71 F 0.91392887367068 0.03056038188224 0.08456733271301 18.998 > 71 72 F 0.91392887367068 0.53056038188224 0.08456733271301 18.998 > 71 73 F 0.20941533027034 0.22447733444045 0.33893567562098 18.998 > 73 74 F 0.20941533027034 0.72447733444045 0.33893567562098 18.998 > 73 75 F 0.72215925616725 0.12500000000000 0.03245058904522 18.998 > 75 76 F 0.72215925616725 0.62500000000000 0.03245058904522 18.998 > 75 77 F 0.63337310893254 0.28048691500938 0.44201439135647 18.998 > 77 78 F 0.63337310893254 0.78048691500937 0.44201439135647 18.998 > 77 79 F 0.06142277329605 0.12500000000000 0.99262781305221 18.998 > 79 80 F 0.06142277329605 0.62500000000000 0.99262781305221 18.998 > 79 81 F 0.28538157258346 0.12500000000000 0.67183118638962 18.998 > 81 82 F 0.28538157258346 0.62500000000000 0.67183118638962 18.998 > 81 83 F 0.87115913872891 0.47245214296204 0.41644005023657 18.998 > 83 84 F 0.87115913872891 0.97245214296204 0.41644005023657 18.998 > 83 85 F 0.36662689106746 0.03048691500938 0.55798560864353 18.998 > 85 86 F 0.36662689106746 0.53048691500937 0.55798560864353 18.998 > 85 87 F 0.37115913872891 0.47245214296204 0.08355994976343 18.998 > 87 88 F 0.37115913872891 0.97245214296204 0.08355994976343 18.998 > 87 89 F 0.12884086127109 0.22245214296204 0.58355994976343 18.998 > 89 90 F 0.12884086127109 0.72245214296204 0.58355994976343 18.998 > 89 91 F 0.41392887367068 0.03056038188224 0.41543266728699 18.998 > 91 92 F 0.41392887367068 0.53056038188224 0.41543266728699 18.998 > 91 93 F 0.63337310893254 0.46951308499062 0.44201439135647 18.998 > 93 94 F 0.63337310893254 0.96951308499063 0.44201439135647 18.998 > 93 95 F 0.29058466972966 0.27552266555955 0.83893567562098 18.998 > 95 96 F 0.29058466972966 0.77552266555955 0.83893567562098 18.998 > 95 97 F 0.27784074383275 0.37500000000000 0.96754941095478 18.998 > 97 98 F 0.27784074383275 0.87500000000000 0.96754941095478 18.998 > 97 99 F 0.58607112632932 0.28056038188224 0.58456733271301 18.998 > 99 100 F 0.58607112632932 0.78056038188224 0.58456733271301 18.998 > 99 101 F 0.12884086127109 0.02754785703796 0.58355994976343 18.998 > 101 102 F 0.12884086127109 0.52754785703796 0.58355994976343 18.998 > 101 103 F 0.86662689106746 0.03048691500938 0.94201439135647 18.998 > 103 104 F 0.86662689106746 0.53048691500937 0.94201439135647 18.998 > 103 105 F 0.08607112632932 0.46943961811776 0.91543266728699 18.998 > 105 106 F 0.08607112632932 0.96943961811776 0.91543266728699 18.998 > 105 107 F 0.87115913872891 0.27754785703796 0.41644005023657 18.998 > 107 108 F 0.87115913872891 0.77754785703796 0.41644005023657 18.998 > 107 109 F 0.37115913872891 0.27754785703796 0.08355994976343 18.998 > 109 110 F 0.37115913872891 0.77754785703796 0.08355994976343 18.998 > 109 111 F 0.40375784844819 0.12500000000000 0.29130334996896 18.998 > 111 112 F 0.40375784844819 0.62500000000000 0.29130334996896 18.998 > 111 113 F 0.93857722670395 0.37500000000000 0.00737218694779 18.998 > 113 114 F 0.93857722670395 0.87500000000000 0.00737218694779 18.998 > 113 115 F 0.41392887367068 0.21943961811776 0.41543266728699 18.998 > 115 116 F 0.41392887367068 0.71943961811776 0.41543266728699 18.998 > 115 117 F 0.08607112632932 0.28056038188224 0.91543266728699 18.998 > 117 118 F 0.08607112632932 0.78056038188224 0.91543266728699 18.998 > 117 119 F 0.36662689106746 0.21951308499062 0.55798560864353 18.998 > 119 120 F 0.36662689106746 0.71951308499063 0.55798560864353 18.998 > 119 121 F 0.09624215155181 0.37500000000000 0.79130334996896 18.998 > 121 122 F 0.09624215155181 0.87500000000000 0.79130334996896 18.998 > 121 123 F 0.70941533027034 0.02552266555955 0.16106432437902 18.998 > 123 124 F 0.70941533027034 0.52552266555955 0.16106432437902 18.998 > 123 125 F 0.22215925616725 0.12500000000000 0.46754941095478 18.998 > 125 126 F 0.22215925616725 0.62500000000000 0.46754941095478 18.998 > 125 127 F 0.62884086127109 0.02754785703796 0.91644005023657 18.998 > 127 128 F 0.62884086127109 0.52754785703796 0.91644005023657 18.998 > 127 129 F 0.59624215155181 0.37500000000000 0.70869665003104 18.998 > 129 130 F 0.59624215155181 0.87500000000000 0.70869665003104 18.998 > 129 131 F 0.71461842741654 0.37500000000000 0.32816881361038 18.998 > 131 132 F 0.71461842741654 0.87500000000000 0.32816881361038 18.998 > 131 133 F 0.56142277329605 0.12500000000000 0.50737218694779 18.998 > 133 134 F 0.56142277329605 0.62500000000000 0.50737218694779 18.998 > 133 135 F 0.13337310893254 0.28048691500938 0.05798560864353 18.998 > 135 136 F 0.13337310893254 0.78048691500937 0.05798560864353 18.998 > 135 137 F 0.70941533027034 0.22447733444045 0.16106432437902 18.998 > 137 138 F 0.70941533027034 0.72447733444045 0.16106432437902 18.998 > 137 139 F 0.79058466972966 0.47447733444045 0.66106432437902 18.998 > 139 140 F 0.79058466972966 0.97447733444045 0.66106432437902 18.998 > 139 141 F 0.43857722670395 0.37500000000000 0.49262781305221 18.998 > 141 142 F 0.43857722670395 0.87500000000000 0.49262781305221 18.998 > 141 143 F 0.29058466972966 0.47447733444045 0.83893567562098 18.998 > 143 144 F 0.29058466972966 0.97447733444045 0.83893567562098 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0341183 0.0000000 0.0000000 0.0000000 2.0578616 0.0000000 0.0000000 0.0000000 2.0531946 -------------------------- Born effective charges -------------------------- 1 Cs 1.3400068 -0.0000000 0.0146259 0.0000000 1.3849353 -0.0000000 0.0081290 0.0000000 1.2044655 2 Cs 1.2360220 -0.0000000 0.1403097 0.0000000 1.2929743 -0.0000000 0.1398634 0.0000000 1.4328551 3 Cs 1.3400068 -0.0000000 0.0146259 0.0000000 1.3849353 -0.0000000 0.0081290 0.0000000 1.2044655 4 Cs 1.3171550 -0.0000000 0.1479557 0.0000000 1.2972982 -0.0000000 0.1534979 0.0000000 1.3007319 5 Cs 1.3171550 -0.0000000 -0.1479557 0.0000000 1.2972982 -0.0000000 -0.1534979 0.0000000 1.3007319 6 Cs 1.2360220 -0.0000000 -0.1403097 0.0000000 1.2929743 -0.0000000 -0.1398634 0.0000000 1.4328551 7 Cs 1.3171550 -0.0000000 0.1479557 0.0000000 1.2972982 -0.0000000 0.1534979 0.0000000 1.3007319 8 Cs 1.3400068 -0.0000000 -0.0146259 0.0000000 1.3849353 -0.0000000 -0.0081290 0.0000000 1.2044655 9 Cs 1.2360220 -0.0000000 -0.1403097 0.0000000 1.2929743 -0.0000000 -0.1398634 0.0000000 1.4328551 10 Cs 1.3400068 -0.0000000 -0.0146259 0.0000000 1.3849353 -0.0000000 -0.0081290 0.0000000 1.2044655 11 Cs 1.3171550 -0.0000000 -0.1479557 0.0000000 1.2972982 -0.0000000 -0.1534979 0.0000000 1.3007319 12 Cs 1.2360220 -0.0000000 0.1403097 0.0000000 1.2929743 -0.0000000 0.1398634 0.0000000 1.4328551 13 Al 2.7410414 -0.0000000 0.1372294 0.0000000 2.7152163 -0.0000000 0.0119360 0.0000000 2.7781890 14 Al 2.5501040 -0.0000000 -0.0991452 0.0000000 2.7776778 -0.0000000 -0.0875672 0.0000000 2.8955195 15 Al 2.7410414 -0.0000000 -0.1372294 0.0000000 2.7152163 -0.0000000 -0.0119360 0.0000000 2.7781890 16 Al 2.5501040 -0.0000000 0.0991452 0.0000000 2.7776778 -0.0000000 0.0875672 0.0000000 2.8955195 17 Al 2.7410414 -0.0000000 -0.1372294 0.0000000 2.7152163 -0.0000000 -0.0119360 0.0000000 2.7781890 18 Al 2.7410414 -0.0000000 0.1372294 0.0000000 2.7152163 -0.0000000 0.0119360 0.0000000 2.7781890 19 Al 2.5501040 -0.0000000 -0.0991452 0.0000000 2.7776778 -0.0000000 -0.0875672 0.0000000 2.8955195 20 Al 2.8350683 -0.1204201 -0.0007701 -0.1150536 2.9654236 -0.0439858 -0.0146395 -0.0521958 2.7788577 21 Al 2.5501040 -0.0000000 0.0991452 0.0000000 2.7776778 -0.0000000 0.0875672 0.0000000 2.8955195 22 Al 2.8350683 -0.1204201 0.0007701 -0.1150536 2.9654236 0.0439858 0.0146395 0.0521958 2.7788577 23 Al 2.8350683 0.1204201 0.0007701 0.1150536 2.9654236 -0.0439858 0.0146395 -0.0521958 2.7788577 24 Al 2.8350683 0.1204201 -0.0007701 0.1150536 2.9654236 0.0439858 -0.0146395 0.0521958 2.7788577 25 F -0.9725003 -0.2140846 0.2720319 -0.2344171 -0.9713290 0.1567777 0.2593962 0.1339957 -1.1016008 26 F -0.9725003 0.2140846 -0.2720319 0.2344171 -0.9713290 0.1567777 -0.2593962 0.1339957 -1.1016008 27 F -1.1766100 0.2515670 -0.2544708 0.2887035 -0.9899973 0.0401888 -0.2323347 0.0242159 -0.9074553 28 F -0.8872396 0.1661955 -0.0295492 0.1653916 -1.1403907 -0.0403911 -0.0484894 -0.0113922 -1.0444598 29 F -1.0817035 0.0705729 0.0572643 0.0486452 -1.0897811 -0.0485979 0.0599829 -0.0396351 -0.8938022 30 F -1.0134005 -0.0000000 -0.0372635 0.0000000 -0.9059935 -0.0000000 0.0128539 0.0000000 -1.2252533 31 F -0.8872396 -0.1661955 -0.0295492 -0.1653916 -1.1403907 0.0403911 -0.0484894 0.0113922 -1.0444598 32 F -1.1766100 -0.2515670 -0.2544708 -0.2887035 -0.9899973 -0.0401888 -0.2323347 -0.0242159 -0.9074553 33 F -1.1230191 -0.0000000 0.0221267 0.0000000 -0.9276553 -0.0000000 -0.0304483 0.0000000 -1.0600054 34 F -0.7976918 -0.0000000 0.1763179 0.0000000 -0.7726855 -0.0000000 0.1619548 0.0000000 -1.4780799 35 F -1.0134005 -0.0000000 -0.0372635 0.0000000 -0.9059935 -0.0000000 0.0128539 0.0000000 -1.2252533 36 F -0.9725003 0.2140846 0.2720319 0.2344171 -0.9713290 -0.1567777 0.2593962 -0.1339957 -1.1016008 37 F -0.8872396 0.1661955 -0.0295492 0.1653916 -1.1403907 -0.0403911 -0.0484894 -0.0113922 -1.0444598 38 F -0.7976918 -0.0000000 -0.1763179 0.0000000 -0.7726855 -0.0000000 -0.1619548 0.0000000 -1.4780799 39 F -1.1766100 -0.2515670 0.2544708 -0.2887035 -0.9899973 0.0401888 0.2323347 0.0242159 -0.9074553 40 F -0.8491792 -0.0000000 0.0213632 0.0000000 -1.4441950 -0.0000000 0.0160041 0.0000000 -0.7326439 41 F -1.0134005 -0.0000000 0.0372635 0.0000000 -0.9059935 -0.0000000 -0.0128539 0.0000000 -1.2252533 42 F -1.0817035 -0.0705729 -0.0572643 -0.0486452 -1.0897811 -0.0485979 -0.0599829 -0.0396351 -0.8938022 43 F -1.1766100 0.2515670 0.2544708 0.2887035 -0.9899973 -0.0401888 0.2323347 -0.0242159 -0.9074553 44 F -1.0817035 -0.0705729 0.0572643 -0.0486452 -1.0897811 0.0485979 0.0599829 0.0396351 -0.8938022 45 F -1.0817035 0.0705729 -0.0572643 0.0486452 -1.0897811 0.0485979 -0.0599829 0.0396351 -0.8938022 46 F -0.9725003 0.2140846 -0.2720319 0.2344171 -0.9713290 0.1567777 -0.2593962 0.1339957 -1.1016008 47 F -1.1766100 0.2515670 0.2544708 0.2887035 -0.9899973 -0.0401888 0.2323347 -0.0242159 -0.9074553 48 F -0.8872396 0.1661955 0.0295492 0.1653916 -1.1403907 0.0403911 0.0484894 0.0113922 -1.0444598 49 F -0.7976918 -0.0000000 -0.1763179 0.0000000 -0.7726855 -0.0000000 -0.1619548 0.0000000 -1.4780799 50 F -0.9725003 -0.2140846 -0.2720319 -0.2344171 -0.9713290 -0.1567777 -0.2593962 -0.1339957 -1.1016008 51 F -1.0817035 -0.0705729 -0.0572643 -0.0486452 -1.0897811 -0.0485979 -0.0599829 -0.0396351 -0.8938022 52 F -1.1766100 0.2515670 -0.2544708 0.2887035 -0.9899973 0.0401888 -0.2323347 0.0242159 -0.9074553 53 F -0.9725003 0.2140846 0.2720319 0.2344171 -0.9713290 -0.1567777 0.2593962 -0.1339957 -1.1016008 54 F -1.0817035 0.0705729 -0.0572643 0.0486452 -1.0897811 0.0485979 -0.0599829 0.0396351 -0.8938022 55 F -1.0817035 0.0705729 0.0572643 0.0486452 -1.0897811 -0.0485979 0.0599829 -0.0396351 -0.8938022 56 F -1.1230191 -0.0000000 -0.0221267 0.0000000 -0.9276553 -0.0000000 0.0304483 0.0000000 -1.0600054 57 F -0.8491792 -0.0000000 0.0213632 0.0000000 -1.4441950 -0.0000000 0.0160041 0.0000000 -0.7326439 58 F -0.9725003 -0.2140846 -0.2720319 -0.2344171 -0.9713290 -0.1567777 -0.2593962 -0.1339957 -1.1016008 59 F -0.9725003 -0.2140846 0.2720319 -0.2344171 -0.9713290 0.1567777 0.2593962 0.1339957 -1.1016008 60 F -1.1766100 -0.2515670 0.2544708 -0.2887035 -0.9899973 0.0401888 0.2323347 0.0242159 -0.9074553 61 F -1.1230191 -0.0000000 0.0221267 0.0000000 -0.9276553 -0.0000000 -0.0304483 0.0000000 -1.0600054 62 F -0.8872396 -0.1661955 0.0295492 -0.1653916 -1.1403907 -0.0403911 0.0484894 -0.0113922 -1.0444598 63 F -0.7976918 -0.0000000 0.1763179 0.0000000 -0.7726855 -0.0000000 0.1619548 0.0000000 -1.4780799 64 F -1.0817035 -0.0705729 0.0572643 -0.0486452 -1.0897811 0.0485979 0.0599829 0.0396351 -0.8938022 65 F -1.1230191 -0.0000000 -0.0221267 0.0000000 -0.9276553 -0.0000000 0.0304483 0.0000000 -1.0600054 66 F -1.0134005 -0.0000000 0.0372635 0.0000000 -0.9059935 -0.0000000 -0.0128539 0.0000000 -1.2252533 67 F -0.8491792 -0.0000000 -0.0213632 0.0000000 -1.4441950 -0.0000000 -0.0160041 0.0000000 -0.7326439 68 F -1.1766100 -0.2515670 -0.2544708 -0.2887035 -0.9899973 -0.0401888 -0.2323347 -0.0242159 -0.9074553 69 F -0.8872396 0.1661955 0.0295492 0.1653916 -1.1403907 0.0403911 0.0484894 0.0113922 -1.0444598 70 F -0.8872396 -0.1661955 -0.0295492 -0.1653916 -1.1403907 0.0403911 -0.0484894 0.0113922 -1.0444598 71 F -0.8491792 -0.0000000 -0.0213632 0.0000000 -1.4441950 -0.0000000 -0.0160041 0.0000000 -0.7326439 72 F -0.8872396 -0.1661955 0.0295492 -0.1653916 -1.1403907 -0.0403911 0.0484894 -0.0113922 -1.0444598 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 3 ] 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: 0.38, Number of G-points: 301, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.530 ( 0.000 0.000 0.000) 0.000 0.538 ( 0.000 0.000 0.000) 0.000 0.609 ( 0.000 0.000 0.000) 0.000 0.699 ( 0.000 0.000 0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 0.833 ( 0.000 0.000 0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 0.880 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.225 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.816 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 10.655 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 10.917 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.498 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 12.993 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 14.469 ( 0.000 0.000 0.000) 0.000 14.471 ( 0.000 0.000 0.000) 0.000 14.568 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 15.128 ( 0.000 0.000 0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 16.550 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 16.876 ( 0.000 0.000 0.000) 0.000 17.030 ( 0.000 0.000 0.000) 0.000 17.051 ( 0.000 0.000 0.000) 0.000 17.577 ( 0.000 0.000 0.000) 0.000 17.648 ( 0.000 0.000 0.000) 0.000 17.748 ( 0.000 0.000 0.000) 0.000 17.835 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 0.000) 0.000 17.962 ( 0.000 0.000 0.000) 0.000 17.994 ( 0.000 0.000 0.000) 0.000 18.107 ( 0.000 0.000 0.000) 0.000 18.124 ( 0.000 0.000 0.000) 0.000 18.129 ( 0.000 0.000 0.000) 0.000 18.258 ( 0.000 0.000 0.000) 0.000 18.297 ( 0.000 0.000 0.000) 0.000 18.407 ( 0.000 0.000 0.000) 0.000 18.444 ( 0.000 0.000 0.000) 0.000 18.447 ( 0.000 0.000 0.000) 0.000 18.492 ( 0.000 0.000 0.000) 0.000 18.519 ( 0.000 0.000 0.000) 0.000 18.595 ( 0.000 0.000 0.000) 0.000 18.600 ( 0.000 0.000 0.000) 0.000 18.773 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 18.817 ( 0.000 0.000 0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 18.975 ( 0.000 0.000 0.000) 0.000 18.976 ( 0.000 0.000 0.000) 0.000 19.057 ( 0.000 0.000 0.000) 0.000 19.061 ( 0.000 0.000 0.000) 0.000 19.307 ( 0.000 0.000 0.000) 0.000 19.308 ( 0.000 0.000 0.000) 0.000 19.750 ( 0.000 0.000 0.000) 0.000 19.994 ( 0.000 0.000 0.000) 0.000 20.048 ( 0.000 0.000 0.000) 0.000 20.050 ( 0.000 0.000 0.000) 0.000 20.644 ( 0.000 0.000 0.000) 0.000 20.911 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 21.444 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( 11.908 0.000 0.000) 11.908 0.273 ( 8.562 0.000 0.000) 8.562 0.329 ( 15.170 0.000 0.000) 15.170 0.508 ( -1.455 0.000 0.000) 1.455 0.557 ( 0.951 0.000 0.000) 0.951 0.666 ( 5.439 0.000 0.000) 5.439 0.711 ( 1.425 0.000 0.000) 1.425 0.827 ( 3.817 0.000 0.000) 3.817 0.848 ( -2.475 0.000 0.000) 2.475 0.853 ( 3.342 0.000 0.000) 3.342 0.881 ( 0.497 0.000 0.000) 0.497 0.946 ( 2.472 0.000 0.000) 2.472 1.005 ( 0.234 0.000 0.000) 0.234 1.113 ( 0.732 0.000 0.000) 0.732 1.152 ( -2.542 0.000 0.000) 2.542 1.221 ( -0.943 0.000 0.000) 0.943 1.223 ( -1.446 0.000 0.000) 1.446 1.245 ( -1.077 0.000 0.000) 1.077 1.356 ( 0.653 0.000 0.000) 0.653 1.368 ( 0.835 0.000 0.000) 0.835 1.374 ( 3.189 0.000 0.000) 3.189 1.412 ( -0.428 0.000 0.000) 0.428 1.433 ( 7.396 0.000 0.000) 7.396 1.436 ( -3.181 0.000 0.000) 3.181 1.440 ( -1.859 0.000 0.000) 1.859 1.479 ( -1.881 0.000 0.000) 1.881 1.528 ( 1.244 0.000 0.000) 1.244 1.582 ( 0.979 0.000 0.000) 0.979 1.596 ( 3.108 0.000 0.000) 3.108 1.607 ( 1.369 0.000 0.000) 1.369 1.635 ( 2.069 0.000 0.000) 2.069 1.645 ( 1.467 0.000 0.000) 1.467 1.660 ( -0.433 0.000 0.000) 0.433 1.736 ( -1.027 0.000 0.000) 1.027 1.822 ( -4.692 0.000 0.000) 4.692 1.887 ( -1.472 0.000 0.000) 1.472 1.985 ( -1.753 0.000 0.000) 1.753 2.012 ( -5.060 0.000 0.000) 5.060 2.017 ( -5.334 0.000 0.000) 5.334 2.030 ( -0.579 0.000 0.000) 0.579 2.244 ( -5.880 0.000 0.000) 5.880 2.250 ( -3.681 0.000 0.000) 3.681 2.349 ( 1.962 0.000 0.000) 1.962 2.389 ( -1.966 0.000 0.000) 1.966 2.392 ( 1.372 0.000 0.000) 1.372 2.532 ( -3.639 0.000 0.000) 3.639 2.617 ( 1.530 0.000 0.000) 1.530 2.627 ( 0.806 0.000 0.000) 0.806 2.777 ( 2.667 0.000 0.000) 2.667 2.797 ( 0.129 0.000 0.000) 0.129 2.856 ( -0.449 0.000 0.000) 0.449 2.911 ( -3.318 0.000 0.000) 3.318 3.040 ( -6.322 0.000 0.000) 6.322 3.059 ( 2.970 0.000 0.000) 2.970 3.094 ( 1.928 0.000 0.000) 1.928 3.115 ( -2.317 0.000 0.000) 2.317 3.349 ( -0.586 0.000 0.000) 0.586 3.372 ( -1.823 0.000 0.000) 1.823 3.390 ( -2.404 0.000 0.000) 2.404 3.407 ( -1.651 0.000 0.000) 1.651 3.500 ( 1.604 0.000 0.000) 1.604 3.504 ( 1.867 0.000 0.000) 1.867 3.513 ( 1.443 0.000 0.000) 1.443 3.545 ( 0.260 0.000 0.000) 0.260 4.158 ( 2.444 0.000 0.000) 2.444 4.188 ( -2.783 0.000 0.000) 2.783 4.318 ( -1.054 0.000 0.000) 1.054 4.320 ( 1.001 0.000 0.000) 1.001 4.328 ( 2.137 0.000 0.000) 2.137 4.334 ( -1.655 0.000 0.000) 1.655 5.028 ( 2.593 0.000 0.000) 2.593 5.045 ( 2.198 0.000 0.000) 2.198 5.187 ( 0.688 0.000 0.000) 0.688 5.205 ( 0.461 0.000 0.000) 0.461 5.341 ( -0.781 0.000 0.000) 0.781 5.358 ( -0.863 0.000 0.000) 0.863 5.377 ( 0.836 0.000 0.000) 0.836 5.378 ( 0.996 0.000 0.000) 0.996 5.396 ( 0.662 0.000 0.000) 0.662 5.404 ( 1.484 0.000 0.000) 1.484 5.425 ( 1.010 0.000 0.000) 1.010 5.469 ( 0.100 0.000 0.000) 0.100 5.494 ( 5.253 0.000 0.000) 5.253 5.520 ( 1.993 0.000 0.000) 1.993 5.743 ( 0.646 0.000 0.000) 0.646 5.757 ( 0.367 0.000 0.000) 0.367 6.018 ( -0.901 0.000 0.000) 0.901 6.041 ( -1.296 0.000 0.000) 1.296 6.175 ( 0.420 0.000 0.000) 0.420 6.182 ( 0.267 0.000 0.000) 0.267 6.305 ( -1.168 0.000 0.000) 1.168 6.316 ( -1.835 0.000 0.000) 1.835 6.572 ( 1.219 0.000 0.000) 1.219 6.712 ( 4.127 0.000 0.000) 4.127 6.726 ( -2.159 0.000 0.000) 2.159 6.768 ( 1.786 0.000 0.000) 1.786 6.792 ( -0.431 0.000 0.000) 0.431 6.794 ( -0.543 0.000 0.000) 0.543 6.815 ( 0.445 0.000 0.000) 0.445 6.817 ( 0.887 0.000 0.000) 0.887 6.856 ( -0.625 0.000 0.000) 0.625 7.012 ( -2.049 0.000 0.000) 2.049 7.357 ( 0.167 0.000 0.000) 0.167 7.401 ( -0.916 0.000 0.000) 0.916 7.453 ( -3.189 0.000 0.000) 3.189 7.499 ( -3.825 0.000 0.000) 3.825 7.567 ( 0.848 0.000 0.000) 0.848 7.623 ( -0.486 0.000 0.000) 0.486 7.635 ( 0.630 0.000 0.000) 0.630 7.680 ( -0.541 0.000 0.000) 0.541 7.688 ( 0.172 0.000 0.000) 0.172 7.726 ( -1.083 0.000 0.000) 1.083 7.906 ( 2.502 0.000 0.000) 2.502 7.951 ( 0.762 0.000 0.000) 0.762 7.997 ( 0.638 0.000 0.000) 0.638 8.023 ( 0.810 0.000 0.000) 0.810 8.331 ( 0.530 0.000 0.000) 0.530 8.353 ( -0.011 0.000 0.000) 0.011 8.711 ( -0.286 0.000 0.000) 0.286 8.795 ( -1.241 0.000 0.000) 1.241 8.816 ( -0.070 0.000 0.000) 0.070 8.834 ( -1.471 0.000 0.000) 1.471 9.150 ( -0.604 0.000 0.000) 0.604 9.165 ( -0.999 0.000 0.000) 0.999 9.439 ( 1.475 0.000 0.000) 1.475 9.451 ( 1.172 0.000 0.000) 1.172 9.511 ( 0.939 0.000 0.000) 0.939 9.518 ( 0.745 0.000 0.000) 0.745 9.578 ( 0.321 0.000 0.000) 0.321 9.596 ( -0.014 0.000 0.000) 0.014 9.734 ( 0.456 0.000 0.000) 0.456 9.736 ( 0.387 0.000 0.000) 0.387 9.799 ( 0.619 0.000 0.000) 0.619 9.806 ( -0.053 0.000 0.000) 0.053 10.217 ( -2.438 0.000 0.000) 2.438 10.219 ( -2.517 0.000 0.000) 2.517 10.253 ( 1.037 0.000 0.000) 1.037 10.370 ( -1.932 0.000 0.000) 1.932 10.374 ( 2.040 0.000 0.000) 2.040 10.458 ( -0.799 0.000 0.000) 0.799 10.496 ( 1.529 0.000 0.000) 1.529 10.598 ( -0.228 0.000 0.000) 0.228 10.615 ( 0.164 0.000 0.000) 0.164 10.653 ( -0.126 0.000 0.000) 0.126 10.656 ( -0.198 0.000 0.000) 0.198 10.726 ( 4.525 0.000 0.000) 4.525 10.772 ( -6.757 0.000 0.000) 6.757 10.960 ( 1.603 0.000 0.000) 1.603 11.018 ( 0.383 0.000 0.000) 0.383 11.087 ( -6.867 0.000 0.000) 6.867 11.211 ( 0.897 0.000 0.000) 0.897 11.215 ( 0.807 0.000 0.000) 0.807 11.382 ( 6.785 0.000 0.000) 6.785 11.500 ( -0.034 0.000 0.000) 0.034 11.520 ( -0.672 0.000 0.000) 0.672 11.562 ( -1.547 0.000 0.000) 1.547 11.634 ( 1.497 0.000 0.000) 1.497 11.649 ( 0.455 0.000 0.000) 0.455 12.181 ( 0.094 0.000 0.000) 0.094 12.188 ( -0.062 0.000 0.000) 0.062 12.289 ( -0.143 0.000 0.000) 0.143 12.292 ( -0.218 0.000 0.000) 0.218 12.912 ( -1.935 0.000 0.000) 1.935 12.946 ( -4.334 0.000 0.000) 4.334 13.528 ( 0.120 0.000 0.000) 0.120 13.530 ( 0.188 0.000 0.000) 0.188 13.565 ( 0.467 0.000 0.000) 0.467 13.572 ( 0.251 0.000 0.000) 0.251 14.470 ( 0.100 0.000 0.000) 0.100 14.472 ( 0.056 0.000 0.000) 0.056 14.567 ( -0.059 0.000 0.000) 0.059 14.569 ( -0.088 0.000 0.000) 0.088 15.134 ( 0.544 0.000 0.000) 0.544 15.190 ( -0.772 0.000 0.000) 0.772 16.584 ( 3.092 0.000 0.000) 3.092 16.743 ( -3.751 0.000 0.000) 3.751 16.960 ( 3.887 0.000 0.000) 3.887 17.029 ( -0.173 0.000 0.000) 0.173 17.112 ( 7.240 0.000 0.000) 7.240 17.597 ( -4.601 0.000 0.000) 4.601 17.755 ( -9.305 0.000 0.000) 9.305 17.769 ( 1.393 0.000 0.000) 1.393 17.812 ( -2.663 0.000 0.000) 2.663 17.846 ( -0.504 0.000 0.000) 0.504 17.984 ( 0.889 0.000 0.000) 0.889 18.007 ( 0.213 0.000 0.000) 0.213 18.101 ( -1.990 0.000 0.000) 1.990 18.105 ( -2.101 0.000 0.000) 2.101 18.157 ( 2.458 0.000 0.000) 2.458 18.291 ( -1.303 0.000 0.000) 1.303 18.401 ( 6.263 0.000 0.000) 6.263 18.456 ( 1.000 0.000 0.000) 1.000 18.458 ( 0.910 0.000 0.000) 0.910 18.459 ( -2.289 0.000 0.000) 2.289 18.547 ( 3.745 0.000 0.000) 3.745 18.608 ( 1.224 0.000 0.000) 1.224 18.612 ( 1.154 0.000 0.000) 1.154 18.745 ( -2.899 0.000 0.000) 2.899 18.808 ( -0.788 0.000 0.000) 0.788 18.809 ( -0.782 0.000 0.000) 0.782 18.927 ( 7.548 0.000 0.000) 7.548 18.996 ( 1.905 0.000 0.000) 1.905 18.997 ( 1.911 0.000 0.000) 1.911 19.055 ( -0.216 0.000 0.000) 0.216 19.058 ( -0.278 0.000 0.000) 0.278 19.307 ( 0.003 0.000 0.000) 0.003 19.308 ( -0.018 0.000 0.000) 0.018 19.536 ( -6.391 0.000 0.000) 6.391 19.801 ( 4.178 0.000 0.000) 4.178 19.982 ( -1.209 0.000 0.000) 1.209 20.038 ( -0.936 0.000 0.000) 0.936 20.039 ( -0.981 0.000 0.000) 0.981 20.671 ( 3.072 0.000 0.000) 3.072 21.051 ( 9.479 0.000 0.000) 9.479 21.284 ( -13.933 0.000 0.000) 13.933 21.491 ( -3.160 0.000 0.000) 3.160 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 0.454 0.000 0.000) 0.454 0.377 ( -4.600 0.000 0.000) 4.600 0.431 ( 7.721 0.000 0.000) 7.721 0.536 ( -3.426 0.000 0.000) 3.426 0.659 ( 11.974 0.000 0.000) 11.974 0.751 ( 2.598 0.000 0.000) 2.598 0.758 ( 1.967 0.000 0.000) 1.967 0.801 ( -2.559 0.000 0.000) 2.559 0.897 ( 1.628 0.000 0.000) 1.628 0.935 ( 7.267 0.000 0.000) 7.267 0.938 ( 2.321 0.000 0.000) 2.321 1.013 ( 0.185 0.000 0.000) 0.185 1.029 ( 4.539 0.000 0.000) 4.539 1.034 ( -6.299 0.000 0.000) 6.299 1.078 ( -3.292 0.000 0.000) 3.292 1.164 ( -5.314 0.000 0.000) 5.314 1.239 ( 2.431 0.000 0.000) 2.431 1.266 ( 1.362 0.000 0.000) 1.362 1.337 ( -1.086 0.000 0.000) 1.086 1.380 ( -2.865 0.000 0.000) 2.865 1.387 ( 1.006 0.000 0.000) 1.006 1.402 ( -0.608 0.000 0.000) 0.608 1.423 ( 0.304 0.000 0.000) 0.304 1.443 ( -1.593 0.000 0.000) 1.593 1.454 ( 4.073 0.000 0.000) 4.073 1.516 ( -1.479 0.000 0.000) 1.479 1.602 ( 8.424 0.000 0.000) 8.424 1.609 ( 1.655 0.000 0.000) 1.655 1.630 ( 0.011 0.000 0.000) 0.011 1.651 ( 2.287 0.000 0.000) 2.287 1.655 ( 0.869 0.000 0.000) 0.869 1.668 ( 0.721 0.000 0.000) 0.721 1.671 ( 0.508 0.000 0.000) 0.508 1.720 ( -1.953 0.000 0.000) 1.953 1.765 ( -0.396 0.000 0.000) 0.396 1.811 ( -5.390 0.000 0.000) 5.390 1.926 ( -2.913 0.000 0.000) 2.913 1.927 ( -2.995 0.000 0.000) 2.995 1.957 ( -0.145 0.000 0.000) 0.145 1.997 ( -3.071 0.000 0.000) 3.071 2.149 ( -2.294 0.000 0.000) 2.294 2.175 ( -3.760 0.000 0.000) 3.760 2.348 ( -0.891 0.000 0.000) 0.891 2.395 ( 2.324 0.000 0.000) 2.324 2.400 ( -6.503 0.000 0.000) 6.503 2.415 ( 0.426 0.000 0.000) 0.426 2.657 ( 1.993 0.000 0.000) 1.993 2.672 ( 1.348 0.000 0.000) 1.348 2.796 ( 0.462 0.000 0.000) 0.462 2.827 ( 2.168 0.000 0.000) 2.168 2.837 ( -3.677 0.000 0.000) 3.677 2.851 ( -0.455 0.000 0.000) 0.455 2.988 ( 1.399 0.000 0.000) 1.399 3.054 ( -4.085 0.000 0.000) 4.085 3.113 ( 1.969 0.000 0.000) 1.969 3.123 ( 0.748 0.000 0.000) 0.748 3.340 ( 0.076 0.000 0.000) 0.076 3.347 ( -0.593 0.000 0.000) 0.593 3.357 ( -0.970 0.000 0.000) 0.970 3.368 ( -2.037 0.000 0.000) 2.037 3.527 ( 0.939 0.000 0.000) 0.939 3.529 ( 0.485 0.000 0.000) 0.485 3.529 ( 0.672 0.000 0.000) 0.672 3.539 ( -0.640 0.000 0.000) 0.640 4.164 ( 0.165 0.000 0.000) 0.165 4.176 ( -0.445 0.000 0.000) 0.445 4.300 ( -0.526 0.000 0.000) 0.526 4.305 ( -1.060 0.000 0.000) 1.060 4.346 ( 1.256 0.000 0.000) 1.256 4.354 ( 0.509 0.000 0.000) 0.509 5.074 ( 1.780 0.000 0.000) 1.780 5.081 ( 1.090 0.000 0.000) 1.090 5.202 ( 0.773 0.000 0.000) 0.773 5.211 ( -0.030 0.000 0.000) 0.030 5.331 ( -0.086 0.000 0.000) 0.086 5.339 ( -0.895 0.000 0.000) 0.895 5.397 ( 0.812 0.000 0.000) 0.812 5.401 ( 0.519 0.000 0.000) 0.519 5.417 ( 2.020 0.000 0.000) 2.020 5.431 ( 1.121 0.000 0.000) 1.121 5.439 ( 0.288 0.000 0.000) 0.288 5.454 ( -1.558 0.000 0.000) 1.558 5.569 ( 2.196 0.000 0.000) 2.196 5.572 ( 2.220 0.000 0.000) 2.220 5.756 ( 0.584 0.000 0.000) 0.584 5.762 ( 0.034 0.000 0.000) 0.034 6.004 ( -0.339 0.000 0.000) 0.339 6.013 ( -1.275 0.000 0.000) 1.275 6.183 ( 0.342 0.000 0.000) 0.342 6.186 ( 0.084 0.000 0.000) 0.084 6.289 ( -0.395 0.000 0.000) 0.395 6.291 ( -0.662 0.000 0.000) 0.662 6.610 ( 2.854 0.000 0.000) 2.854 6.672 ( -3.376 0.000 0.000) 3.376 6.785 ( -0.246 0.000 0.000) 0.246 6.785 ( -0.298 0.000 0.000) 0.298 6.804 ( 2.810 0.000 0.000) 2.810 6.814 ( 5.290 0.000 0.000) 5.290 6.825 ( 0.717 0.000 0.000) 0.717 6.826 ( -0.218 0.000 0.000) 0.218 6.841 ( -0.888 0.000 0.000) 0.888 6.933 ( -6.020 0.000 0.000) 6.020 7.364 ( 0.623 0.000 0.000) 0.623 7.381 ( -1.096 0.000 0.000) 1.096 7.412 ( -0.512 0.000 0.000) 0.512 7.434 ( -2.601 0.000 0.000) 2.601 7.588 ( 1.254 0.000 0.000) 1.254 7.609 ( -0.976 0.000 0.000) 0.976 7.649 ( 0.856 0.000 0.000) 0.856 7.666 ( -0.854 0.000 0.000) 0.854 7.691 ( 0.318 0.000 0.000) 0.318 7.704 ( -1.095 0.000 0.000) 1.095 7.948 ( 1.625 0.000 0.000) 1.625 7.963 ( 0.033 0.000 0.000) 0.033 8.015 ( 1.309 0.000 0.000) 1.309 8.032 ( -0.135 0.000 0.000) 0.135 8.342 ( 0.579 0.000 0.000) 0.579 8.351 ( -0.256 0.000 0.000) 0.256 8.716 ( 1.079 0.000 0.000) 1.079 8.754 ( -2.643 0.000 0.000) 2.643 8.814 ( -0.046 0.000 0.000) 0.046 8.817 ( -0.387 0.000 0.000) 0.387 9.141 ( -0.180 0.000 0.000) 0.180 9.147 ( -0.752 0.000 0.000) 0.752 9.467 ( 1.173 0.000 0.000) 1.173 9.472 ( 0.665 0.000 0.000) 0.665 9.528 ( 0.573 0.000 0.000) 0.573 9.530 ( 0.343 0.000 0.000) 0.343 9.586 ( 0.463 0.000 0.000) 0.463 9.593 ( -0.313 0.000 0.000) 0.313 9.743 ( 0.336 0.000 0.000) 0.336 9.743 ( 0.297 0.000 0.000) 0.297 9.805 ( 0.027 0.000 0.000) 0.027 9.806 ( 0.071 0.000 0.000) 0.071 10.173 ( -1.607 0.000 0.000) 1.607 10.173 ( -1.650 0.000 0.000) 1.650 10.279 ( 1.864 0.000 0.000) 1.864 10.323 ( -2.691 0.000 0.000) 2.691 10.416 ( 1.949 0.000 0.000) 1.949 10.442 ( -0.965 0.000 0.000) 0.965 10.543 ( 3.674 0.000 0.000) 3.674 10.602 ( 0.646 0.000 0.000) 0.646 10.611 ( -0.776 0.000 0.000) 0.776 10.643 ( -6.157 0.000 0.000) 6.157 10.651 ( -0.033 0.000 0.000) 0.033 10.653 ( -0.165 0.000 0.000) 0.165 10.822 ( 5.286 0.000 0.000) 5.286 10.921 ( -5.085 0.000 0.000) 5.085 11.026 ( 0.283 0.000 0.000) 0.283 11.027 ( -0.056 0.000 0.000) 0.056 11.227 ( 0.572 0.000 0.000) 0.572 11.228 ( 0.425 0.000 0.000) 0.425 11.480 ( 2.931 0.000 0.000) 2.931 11.494 ( -0.316 0.000 0.000) 0.316 11.509 ( 0.264 0.000 0.000) 0.264 11.538 ( -1.388 0.000 0.000) 1.388 11.655 ( 0.643 0.000 0.000) 0.643 11.657 ( 0.321 0.000 0.000) 0.321 12.184 ( 0.161 0.000 0.000) 0.161 12.187 ( -0.124 0.000 0.000) 0.124 12.286 ( -0.050 0.000 0.000) 0.050 12.288 ( -0.173 0.000 0.000) 0.173 12.873 ( -1.535 0.000 0.000) 1.535 12.876 ( -2.189 0.000 0.000) 2.189 13.534 ( 0.457 0.000 0.000) 0.457 13.538 ( 0.255 0.000 0.000) 0.255 13.568 ( 0.076 0.000 0.000) 0.076 13.572 ( -0.251 0.000 0.000) 0.251 14.472 ( 0.080 0.000 0.000) 0.080 14.473 ( 0.014 0.000 0.000) 0.014 14.567 ( -0.018 0.000 0.000) 0.018 14.567 ( -0.071 0.000 0.000) 0.071 15.149 ( 1.033 0.000 0.000) 1.033 15.171 ( -1.167 0.000 0.000) 1.167 16.644 ( 2.816 0.000 0.000) 2.816 16.689 ( -2.275 0.000 0.000) 2.275 17.003 ( 1.393 0.000 0.000) 1.393 17.022 ( -0.629 0.000 0.000) 0.629 17.300 ( 11.154 0.000 0.000) 11.154 17.484 ( -7.712 0.000 0.000) 7.712 17.657 ( -0.699 0.000 0.000) 0.699 17.713 ( -5.421 0.000 0.000) 5.421 17.813 ( 1.658 0.000 0.000) 1.658 17.837 ( -0.792 0.000 0.000) 0.792 18.005 ( 1.039 0.000 0.000) 1.039 18.013 ( 0.194 0.000 0.000) 0.194 18.069 ( -1.052 0.000 0.000) 1.052 18.070 ( -1.159 0.000 0.000) 1.159 18.199 ( 2.105 0.000 0.000) 2.105 18.244 ( -2.832 0.000 0.000) 2.832 18.438 ( -0.140 0.000 0.000) 0.140 18.438 ( 0.077 0.000 0.000) 0.077 18.471 ( 0.499 0.000 0.000) 0.499 18.472 ( 0.410 0.000 0.000) 0.410 18.616 ( 2.883 0.000 0.000) 2.883 18.632 ( 0.993 0.000 0.000) 0.993 18.634 ( 0.816 0.000 0.000) 0.816 18.677 ( -3.802 0.000 0.000) 3.802 18.792 ( -0.638 0.000 0.000) 0.638 18.793 ( -0.713 0.000 0.000) 0.713 19.028 ( 0.930 0.000 0.000) 0.930 19.028 ( 0.897 0.000 0.000) 0.897 19.054 ( 0.217 0.000 0.000) 0.217 19.055 ( 0.070 0.000 0.000) 0.070 19.145 ( 13.461 0.000 0.000) 13.461 19.307 ( 0.014 0.000 0.000) 0.014 19.308 ( -0.022 0.000 0.000) 0.022 19.376 ( -10.519 0.000 0.000) 10.519 19.882 ( 4.099 0.000 0.000) 4.099 19.946 ( -2.651 0.000 0.000) 2.651 20.021 ( -0.595 0.000 0.000) 0.595 20.021 ( -0.656 0.000 0.000) 0.656 20.774 ( 8.357 0.000 0.000) 8.357 20.994 ( -14.672 0.000 0.000) 14.672 21.248 ( 10.082 0.000 0.000) 10.082 21.404 ( -6.342 0.000 0.000) 6.342 ======================= Grid point 5 (4/24) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 0.000 16.341 0.000) 16.341 0.335 ( 0.000 15.120 0.000) 15.120 0.598 ( 0.000 7.348 0.000) 7.348 0.669 ( 0.000 6.114 0.000) 6.114 0.729 ( 0.000 1.909 0.000) 1.909 0.766 ( 0.000 3.579 0.000) 3.579 0.779 ( 0.000 23.350 0.000) 23.350 0.891 ( 0.000 1.604 0.000) 1.604 0.891 ( 0.000 4.642 0.000) 4.642 0.896 ( 0.000 7.022 0.000) 7.022 0.943 ( 0.000 3.407 0.000) 3.407 0.947 ( 0.000 2.094 0.000) 2.094 1.013 ( 0.000 2.077 0.000) 2.077 1.149 ( 0.000 -0.607 0.000) 0.607 1.216 ( 0.000 -0.370 0.000) 0.370 1.221 ( 0.000 2.480 0.000) 2.480 1.274 ( 0.000 -3.241 0.000) 3.241 1.281 ( 0.000 1.225 0.000) 1.225 1.322 ( 0.000 2.883 0.000) 2.883 1.356 ( 0.000 0.922 0.000) 0.922 1.373 ( 0.000 1.149 0.000) 1.149 1.381 ( 0.000 0.936 0.000) 0.936 1.444 ( 0.000 1.536 0.000) 1.536 1.485 ( 0.000 1.022 0.000) 1.022 1.487 ( 0.000 -1.064 0.000) 1.064 1.501 ( 0.000 -2.704 0.000) 2.704 1.554 ( 0.000 -1.295 0.000) 1.295 1.606 ( 0.000 0.496 0.000) 0.496 1.608 ( 0.000 -0.796 0.000) 0.796 1.638 ( 0.000 2.147 0.000) 2.147 1.643 ( 0.000 -1.709 0.000) 1.709 1.697 ( 0.000 -0.572 0.000) 0.572 1.772 ( 0.000 2.433 0.000) 2.433 1.842 ( 0.000 31.537 0.000) 31.537 1.871 ( 0.000 -1.779 0.000) 1.779 1.935 ( 0.000 20.157 0.000) 20.157 2.001 ( 0.000 0.425 0.000) 0.425 2.018 ( 0.000 0.492 0.000) 0.492 2.143 ( 0.000 -12.290 0.000) 12.290 2.159 ( 0.000 -2.790 0.000) 2.790 2.177 ( 0.000 6.275 0.000) 6.275 2.204 ( 0.000 -8.855 0.000) 8.855 2.311 ( 0.000 -2.655 0.000) 2.655 2.357 ( 0.000 -5.466 0.000) 5.466 2.361 ( 0.000 -1.411 0.000) 1.411 2.423 ( 0.000 0.096 0.000) 0.096 2.555 ( 0.000 -9.864 0.000) 9.864 2.645 ( 0.000 -4.653 0.000) 4.653 2.780 ( 0.000 11.659 0.000) 11.659 2.788 ( 0.000 -2.182 0.000) 2.182 2.907 ( 0.000 0.766 0.000) 0.766 2.926 ( 0.000 -2.175 0.000) 2.175 3.143 ( 0.000 12.935 0.000) 12.935 3.144 ( 0.000 10.188 0.000) 10.188 3.214 ( 0.000 11.648 0.000) 11.648 3.341 ( 0.000 11.456 0.000) 11.456 3.358 ( 0.000 0.093 0.000) 0.093 3.365 ( 0.000 -2.340 0.000) 2.340 3.457 ( 0.000 4.214 0.000) 4.214 3.475 ( 0.000 5.726 0.000) 5.726 3.504 ( 0.000 9.811 0.000) 9.811 3.612 ( 0.000 1.085 0.000) 1.085 3.709 ( 0.000 9.958 0.000) 9.958 3.722 ( 0.000 11.197 0.000) 11.197 4.090 ( 0.000 -2.628 0.000) 2.628 4.143 ( 0.000 -1.855 0.000) 1.855 4.196 ( 0.000 -2.558 0.000) 2.558 4.201 ( 0.000 -7.626 0.000) 7.626 4.370 ( 0.000 2.535 0.000) 2.535 4.377 ( 0.000 1.851 0.000) 1.851 4.849 ( 0.000 -11.091 0.000) 11.091 4.855 ( 0.000 -11.886 0.000) 11.886 5.135 ( 0.000 -4.135 0.000) 4.135 5.146 ( 0.000 -4.407 0.000) 4.407 5.152 ( 0.000 -12.629 0.000) 12.629 5.164 ( 0.000 -11.868 0.000) 11.868 5.191 ( 0.000 -13.568 0.000) 13.568 5.283 ( 0.000 -15.033 0.000) 15.033 5.404 ( 0.000 3.254 0.000) 3.254 5.424 ( 0.000 3.101 0.000) 3.101 5.482 ( 0.000 5.279 0.000) 5.279 5.505 ( 0.000 0.820 0.000) 0.820 5.522 ( 0.000 5.762 0.000) 5.762 5.536 ( 0.000 0.153 0.000) 0.153 5.876 ( 0.000 8.688 0.000) 8.688 5.888 ( 0.000 9.127 0.000) 9.127 6.105 ( 0.000 -3.773 0.000) 3.773 6.107 ( 0.000 5.924 0.000) 5.924 6.123 ( 0.000 5.065 0.000) 5.065 6.132 ( 0.000 -2.496 0.000) 2.496 6.205 ( 0.000 -5.417 0.000) 5.417 6.222 ( 0.000 -5.937 0.000) 5.937 6.490 ( 0.000 -5.613 0.000) 5.613 6.643 ( 0.000 -6.934 0.000) 6.934 6.671 ( 0.000 0.260 0.000) 0.260 6.697 ( 0.000 -4.650 0.000) 4.650 6.784 ( 0.000 0.052 0.000) 0.052 6.839 ( 0.000 1.393 0.000) 1.393 6.867 ( 0.000 1.351 0.000) 1.351 6.908 ( 0.000 -5.140 0.000) 5.140 6.978 ( 0.000 12.377 0.000) 12.377 7.051 ( 0.000 8.987 0.000) 8.987 7.373 ( 0.000 0.914 0.000) 0.914 7.390 ( 0.000 -1.934 0.000) 1.934 7.468 ( 0.000 -1.565 0.000) 1.565 7.504 ( 0.000 -2.492 0.000) 2.492 7.560 ( 0.000 -0.275 0.000) 0.275 7.586 ( 0.000 -5.703 0.000) 5.703 7.629 ( 0.000 -3.951 0.000) 3.951 7.631 ( 0.000 -8.093 0.000) 8.093 7.644 ( 0.000 1.049 0.000) 1.049 7.697 ( 0.000 0.793 0.000) 0.793 7.832 ( 0.000 1.582 0.000) 1.582 7.910 ( 0.000 1.164 0.000) 1.164 8.018 ( 0.000 0.878 0.000) 0.878 8.024 ( 0.000 2.497 0.000) 2.497 8.597 ( 0.000 17.794 0.000) 17.794 8.624 ( 0.000 18.980 0.000) 18.980 8.751 ( 0.000 3.155 0.000) 3.155 8.792 ( 0.000 -0.456 0.000) 0.456 8.811 ( 0.000 -0.272 0.000) 0.272 8.885 ( 0.000 2.908 0.000) 2.908 9.183 ( 0.000 0.537 0.000) 0.537 9.197 ( 0.000 3.273 0.000) 3.273 9.398 ( 0.000 -5.870 0.000) 5.870 9.425 ( 0.000 -4.800 0.000) 4.800 9.494 ( 0.000 4.155 0.000) 4.155 9.679 ( 0.000 5.693 0.000) 5.693 9.703 ( 0.000 5.015 0.000) 5.015 9.747 ( 0.000 -2.958 0.000) 2.958 9.762 ( 0.000 -0.463 0.000) 0.463 9.813 ( 0.000 10.929 0.000) 10.929 9.916 ( 0.000 15.351 0.000) 15.351 10.003 ( 0.000 -2.610 0.000) 2.610 10.053 ( 0.000 -7.540 0.000) 7.540 10.249 ( 0.000 -3.856 0.000) 3.856 10.266 ( 0.000 0.687 0.000) 0.687 10.406 ( 0.000 1.152 0.000) 1.152 10.408 ( 0.000 10.014 0.000) 10.014 10.418 ( 0.000 -6.537 0.000) 6.537 10.480 ( 0.000 -4.631 0.000) 4.631 10.528 ( 0.000 -3.721 0.000) 3.721 10.531 ( 0.000 -7.308 0.000) 7.308 10.552 ( 0.000 -4.500 0.000) 4.500 10.613 ( 0.000 8.570 0.000) 8.570 10.791 ( 0.000 -6.405 0.000) 6.405 10.810 ( 0.000 6.981 0.000) 6.981 10.840 ( 0.000 4.543 0.000) 4.543 10.870 ( 0.000 -2.571 0.000) 2.571 10.926 ( 0.000 -7.656 0.000) 7.656 11.273 ( 0.000 3.715 0.000) 3.715 11.455 ( 0.000 3.707 0.000) 3.707 11.504 ( 0.000 -1.887 0.000) 1.887 11.505 ( 0.000 12.882 0.000) 12.882 11.612 ( 0.000 0.301 0.000) 0.301 11.633 ( 0.000 0.076 0.000) 0.076 11.648 ( 0.000 9.254 0.000) 9.254 11.758 ( 0.000 18.119 0.000) 18.119 12.213 ( 0.000 3.597 0.000) 3.597 12.226 ( 0.000 4.123 0.000) 4.123 12.354 ( 0.000 5.188 0.000) 5.188 12.358 ( 0.000 5.585 0.000) 5.585 12.899 ( 0.000 -2.840 0.000) 2.840 12.936 ( 0.000 -4.754 0.000) 4.754 13.443 ( 0.000 -10.025 0.000) 10.025 13.452 ( 0.000 -9.396 0.000) 9.396 13.556 ( 0.000 2.760 0.000) 2.760 13.567 ( 0.000 3.279 0.000) 3.279 14.386 ( 0.000 -7.300 0.000) 7.300 14.396 ( 0.000 -6.663 0.000) 6.663 14.591 ( 0.000 1.844 0.000) 1.844 14.593 ( 0.000 1.902 0.000) 1.902 15.234 ( 0.000 9.137 0.000) 9.137 15.302 ( 0.000 8.961 0.000) 8.961 16.507 ( 0.000 -4.385 0.000) 4.385 16.723 ( 0.000 -8.359 0.000) 8.359 16.874 ( 0.000 -0.164 0.000) 0.164 17.008 ( 0.000 -1.626 0.000) 1.626 17.029 ( 0.000 -1.960 0.000) 1.960 17.340 ( 0.000 -28.464 0.000) 28.464 17.404 ( 0.000 -37.028 0.000) 37.028 17.543 ( 0.000 -9.095 0.000) 9.095 17.623 ( 0.000 -23.773 0.000) 23.773 17.650 ( 0.000 -9.183 0.000) 9.183 17.746 ( 0.000 -4.289 0.000) 4.289 17.834 ( 0.000 -0.710 0.000) 0.710 18.053 ( 0.000 -3.598 0.000) 3.598 18.141 ( 0.000 -5.522 0.000) 5.522 18.198 ( 0.000 -7.972 0.000) 7.972 18.232 ( 0.000 -10.728 0.000) 10.728 18.306 ( 0.000 -10.624 0.000) 10.624 18.329 ( 0.000 5.148 0.000) 5.148 18.346 ( 0.000 7.578 0.000) 7.578 18.457 ( 0.000 5.600 0.000) 5.600 18.501 ( 0.000 -16.119 0.000) 16.119 18.516 ( 0.000 3.023 0.000) 3.023 18.647 ( 0.000 4.118 0.000) 4.118 18.775 ( 0.000 9.046 0.000) 9.046 18.833 ( 0.000 -7.127 0.000) 7.127 18.846 ( 0.000 2.662 0.000) 2.662 18.869 ( 0.000 -5.866 0.000) 5.866 18.917 ( 0.000 -13.857 0.000) 13.857 19.162 ( 0.000 10.441 0.000) 10.441 19.189 ( 0.000 11.278 0.000) 11.278 19.196 ( 0.000 16.026 0.000) 16.026 19.287 ( 0.000 12.696 0.000) 12.696 19.333 ( 0.000 10.509 0.000) 10.509 19.788 ( 0.000 0.055 0.000) 0.055 20.262 ( 0.000 22.017 0.000) 22.017 20.353 ( 0.000 22.974 0.000) 22.974 20.355 ( 0.000 23.039 0.000) 23.039 20.571 ( 0.000 -6.527 0.000) 6.527 20.840 ( 0.000 -6.578 0.000) 6.578 20.847 ( 0.000 12.665 0.000) 12.665 20.872 ( 0.000 -7.214 0.000) 7.214 21.236 ( 0.000 -17.630 0.000) 17.630 ======================= Grid point 6 (5/24) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 6.325 9.581 0.000) 11.480 0.422 ( 5.234 11.191 0.000) 12.355 0.573 ( -2.722 8.113 0.000) 8.557 0.663 ( 1.645 3.894 0.000) 4.227 0.745 ( -1.412 9.240 0.000) 9.347 0.762 ( 1.035 1.255 0.000) 1.627 0.821 ( 1.300 10.296 0.000) 10.378 0.865 ( -1.976 0.620 0.000) 2.071 0.888 ( 0.676 5.160 0.000) 5.204 0.892 ( 1.121 4.689 0.000) 4.821 0.947 ( 3.098 4.634 0.000) 5.575 1.027 ( 2.748 5.441 0.000) 6.095 1.028 ( 7.010 7.243 0.000) 10.079 1.151 ( -1.777 0.386 0.000) 1.819 1.195 ( -0.361 -1.937 0.000) 1.971 1.236 ( -1.053 1.231 0.000) 1.620 1.286 ( 0.078 2.423 0.000) 2.424 1.311 ( 4.161 -1.809 0.000) 4.537 1.348 ( 0.132 0.676 0.000) 0.689 1.350 ( -0.717 -0.112 0.000) 0.725 1.381 ( 1.380 0.722 0.000) 1.557 1.405 ( 3.760 -2.032 0.000) 4.274 1.447 ( -2.735 1.602 0.000) 3.170 1.452 ( -0.744 2.173 0.000) 2.297 1.490 ( -1.544 -1.125 0.000) 1.911 1.507 ( 1.324 -1.619 0.000) 2.091 1.563 ( 1.448 -0.720 0.000) 1.617 1.575 ( -0.494 2.097 0.000) 2.155 1.616 ( -0.874 2.385 0.000) 2.541 1.626 ( 0.631 1.464 0.000) 1.595 1.653 ( 0.696 0.159 0.000) 0.714 1.707 ( 0.259 -1.865 0.000) 1.883 1.753 ( -1.794 2.664 0.000) 3.211 1.868 ( -0.560 2.704 0.000) 2.761 1.881 ( 2.287 22.340 0.000) 22.457 1.951 ( 1.024 18.840 0.000) 18.868 1.982 ( -2.007 0.416 0.000) 2.050 1.991 ( -1.085 1.702 0.000) 2.018 2.104 ( -5.988 11.897 0.000) 13.319 2.136 ( -3.438 -8.163 0.000) 8.857 2.149 ( -1.918 -6.833 0.000) 7.097 2.173 ( -3.000 -2.295 0.000) 3.777 2.296 ( -0.666 -3.820 0.000) 3.878 2.340 ( 0.141 -2.530 0.000) 2.534 2.408 ( -1.260 -0.094 0.000) 1.264 2.410 ( 0.290 -1.203 0.000) 1.237 2.457 ( -13.585 2.848 0.000) 13.881 2.553 ( -0.168 -9.246 0.000) 9.247 2.665 ( 1.893 -5.528 0.000) 5.843 2.806 ( 0.660 -2.203 0.000) 2.299 2.884 ( -2.132 0.759 0.000) 2.263 2.893 ( -3.685 -1.794 0.000) 4.098 3.170 ( 1.919 13.242 0.000) 13.380 3.192 ( 4.036 10.959 0.000) 11.678 3.313 ( -1.664 9.315 0.000) 9.462 3.317 ( 3.338 10.747 0.000) 11.253 3.366 ( 0.001 -1.240 0.000) 1.240 3.370 ( 0.335 3.266 0.000) 3.283 3.427 ( -1.807 5.809 0.000) 6.083 3.460 ( -3.461 8.376 0.000) 9.063 3.495 ( 0.742 4.158 0.000) 4.224 3.571 ( -3.169 6.927 0.000) 7.618 3.725 ( 1.040 11.508 0.000) 11.555 3.730 ( 0.632 11.228 0.000) 11.246 4.106 ( 2.153 -4.044 0.000) 4.581 4.143 ( -2.347 -4.180 0.000) 4.793 4.216 ( 3.486 -4.632 0.000) 5.797 4.239 ( 1.302 -4.513 0.000) 4.697 4.375 ( -0.105 1.841 0.000) 1.844 4.376 ( 0.446 2.174 0.000) 2.219 4.870 ( 2.014 -11.381 0.000) 11.558 4.876 ( 1.963 -12.068 0.000) 12.227 5.132 ( -0.644 -5.093 0.000) 5.134 5.135 ( -0.657 -6.595 0.000) 6.628 5.152 ( 0.238 -11.698 0.000) 11.701 5.164 ( 0.661 -11.169 0.000) 11.188 5.221 ( 1.732 -13.820 0.000) 13.928 5.271 ( -0.987 -14.406 0.000) 14.439 5.413 ( 0.806 3.054 0.000) 3.158 5.429 ( 0.410 2.911 0.000) 2.940 5.498 ( 1.678 4.598 0.000) 4.895 5.532 ( 0.893 4.910 0.000) 4.990 5.535 ( 2.616 0.617 0.000) 2.688 5.563 ( 2.311 0.158 0.000) 2.317 5.878 ( 0.164 8.626 0.000) 8.628 5.893 ( 0.383 9.002 0.000) 9.010 6.104 ( -0.337 6.555 0.000) 6.564 6.109 ( 0.274 -2.649 0.000) 2.663 6.120 ( -0.252 5.039 0.000) 5.046 6.133 ( 0.054 -2.436 0.000) 2.436 6.188 ( -1.091 -5.686 0.000) 5.789 6.205 ( -1.389 -5.836 0.000) 5.999 6.506 ( 1.715 -5.358 0.000) 5.626 6.634 ( -1.109 -6.509 0.000) 6.603 6.695 ( 2.181 -1.906 0.000) 2.897 6.711 ( 1.833 -3.142 0.000) 3.637 6.787 ( 0.171 -0.226 0.000) 0.283 6.838 ( -0.028 1.404 0.000) 1.404 6.851 ( -1.358 -0.305 0.000) 1.392 6.907 ( -0.619 -4.372 0.000) 4.415 6.977 ( 0.046 11.976 0.000) 11.976 7.030 ( -1.934 9.327 0.000) 9.525 7.375 ( 0.197 0.927 0.000) 0.947 7.381 ( -0.815 -1.810 0.000) 1.985 7.437 ( -2.572 -1.295 0.000) 2.880 7.470 ( -3.136 -2.144 0.000) 3.799 7.569 ( 0.800 -0.786 0.000) 1.122 7.587 ( 0.023 -5.156 0.000) 5.156 7.631 ( 0.192 -3.719 0.000) 3.724 7.639 ( 0.859 -5.054 0.000) 5.127 7.644 ( -0.197 -0.405 0.000) 0.450 7.688 ( -0.782 0.804 0.000) 1.122 7.870 ( 3.239 0.451 0.000) 3.270 7.927 ( 1.537 0.399 0.000) 1.588 8.016 ( -0.866 2.391 0.000) 2.542 8.018 ( -0.195 0.557 0.000) 0.590 8.591 ( -0.301 18.114 0.000) 18.117 8.614 ( -0.845 18.534 0.000) 18.553 8.748 ( -0.160 3.250 0.000) 3.254 8.790 ( -0.275 -0.194 0.000) 0.337 8.809 ( -0.220 -0.309 0.000) 0.379 8.861 ( -2.300 2.795 0.000) 3.620 9.175 ( -0.675 0.746 0.000) 1.006 9.187 ( -0.893 3.013 0.000) 3.143 9.406 ( 0.719 -5.884 0.000) 5.928 9.427 ( 0.171 -5.029 0.000) 5.032 9.506 ( 1.237 4.049 0.000) 4.234 9.648 ( -6.389 7.420 0.000) 9.791 9.702 ( -1.549 8.293 0.000) 8.437 9.707 ( 0.314 5.227 0.000) 5.236 9.747 ( -0.624 -2.091 0.000) 2.182 9.757 ( -0.600 -1.441 0.000) 1.561 9.920 ( 0.433 15.259 0.000) 15.265 9.935 ( -1.135 14.011 0.000) 14.057 10.073 ( 1.786 -6.328 0.000) 6.575 10.209 ( -2.545 -3.485 0.000) 4.315 10.271 ( 0.616 0.785 0.000) 0.998 10.365 ( -1.441 0.107 0.000) 1.445 10.426 ( 0.594 -7.612 0.000) 7.635 10.444 ( -1.017 -1.873 0.000) 2.131 10.487 ( 1.201 -2.511 0.000) 2.784 10.495 ( 0.756 -3.350 0.000) 3.434 10.562 ( 2.955 -3.350 0.000) 4.467 10.590 ( -2.169 7.009 0.000) 7.337 10.665 ( 1.679 -1.892 0.000) 2.529 10.724 ( -5.249 -4.110 0.000) 6.666 10.822 ( 1.299 5.608 0.000) 5.757 10.888 ( 1.097 -5.555 0.000) 5.662 10.933 ( 4.444 -1.262 0.000) 4.620 10.936 ( 0.916 -6.850 0.000) 6.911 11.352 ( 6.950 2.000 0.000) 7.232 11.461 ( 0.499 0.682 0.000) 0.845 11.497 ( -0.651 -1.584 0.000) 1.713 11.506 ( 0.097 15.132 0.000) 15.132 11.598 ( -1.078 3.717 0.000) 3.870 11.614 ( -2.133 7.067 0.000) 7.382 11.661 ( 1.022 6.275 0.000) 6.358 11.704 ( -2.635 16.438 0.000) 16.648 12.216 ( 0.244 3.755 0.000) 3.763 12.226 ( -0.002 4.132 0.000) 4.132 12.353 ( -0.059 5.338 0.000) 5.338 12.356 ( -0.132 5.818 0.000) 5.819 12.884 ( -1.523 -2.482 0.000) 2.912 12.902 ( -3.025 -3.671 0.000) 4.757 13.442 ( -0.096 -10.186 0.000) 10.186 13.452 ( -0.012 -9.726 0.000) 9.726 13.562 ( 0.399 2.357 0.000) 2.391 13.566 ( -0.089 3.000 0.000) 3.001 14.387 ( 0.071 -7.343 0.000) 7.343 14.395 ( -0.093 -6.803 0.000) 6.803 14.593 ( -0.023 1.987 0.000) 1.987 14.594 ( 0.113 2.006 0.000) 2.009 15.241 ( 0.662 9.182 0.000) 9.205 15.295 ( -0.629 9.070 0.000) 9.092 16.538 ( 2.911 -4.633 0.000) 5.472 16.683 ( -2.701 -6.184 0.000) 6.748 16.926 ( 3.347 -2.315 0.000) 4.069 17.004 ( -0.388 -1.807 0.000) 1.848 17.079 ( 5.735 -2.815 0.000) 6.389 17.396 ( -0.354 -32.608 0.000) 32.610 17.398 ( 1.532 -31.285 0.000) 31.323 17.545 ( -1.619 -11.262 0.000) 11.378 17.605 ( -1.104 -21.670 0.000) 21.698 17.632 ( -0.245 -11.972 0.000) 11.975 17.779 ( 2.423 -3.553 0.000) 4.300 17.840 ( 0.500 -1.034 0.000) 1.148 18.091 ( 2.448 -4.493 0.000) 5.116 18.161 ( -1.609 -8.257 0.000) 8.413 18.199 ( 4.872 -10.804 0.000) 11.852 18.298 ( 2.541 -11.668 0.000) 11.941 18.311 ( 0.518 -0.886 0.000) 1.026 18.319 ( -0.861 4.099 0.000) 4.188 18.332 ( -0.564 -0.304 0.000) 0.640 18.419 ( -3.330 4.470 0.000) 5.575 18.505 ( -0.489 0.691 0.000) 0.846 18.534 ( 3.210 -13.033 0.000) 13.423 18.659 ( 1.204 4.120 0.000) 4.292 18.757 ( -1.081 6.580 0.000) 6.668 18.845 ( -0.135 3.017 0.000) 3.020 18.853 ( 0.664 2.609 0.000) 2.693 18.869 ( 1.130 -14.308 0.000) 14.352 18.950 ( 3.271 -12.935 0.000) 13.342 19.140 ( -4.621 11.482 0.000) 12.377 19.169 ( 0.330 10.133 0.000) 10.138 19.188 ( -0.192 11.192 0.000) 11.193 19.278 ( -0.971 10.968 0.000) 11.011 19.330 ( -0.378 10.647 0.000) 10.654 19.526 ( -18.913 4.047 0.000) 19.341 20.248 ( -0.908 23.771 0.000) 23.788 20.271 ( -3.777 27.657 0.000) 27.914 20.400 ( 3.408 23.700 0.000) 23.944 20.544 ( -4.653 22.844 0.000) 23.313 20.593 ( 2.597 -6.977 0.000) 7.444 20.960 ( 8.437 -8.182 0.000) 11.753 21.113 ( -11.499 -14.873 0.000) 18.800 21.232 ( 8.683 -14.122 0.000) 16.577 ======================= Grid point 7 (6/24) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.936 11.266 0.000) 11.305 0.494 ( -0.890 10.262 0.000) 10.300 0.572 ( 8.513 0.083 0.000) 8.513 0.702 ( -0.694 -1.967 0.000) 2.086 0.726 ( -0.375 5.791 0.000) 5.803 0.738 ( -2.960 3.740 0.000) 4.769 0.840 ( 0.054 3.310 0.000) 3.310 0.842 ( 0.569 6.593 0.000) 6.617 0.905 ( 1.416 1.195 0.000) 1.853 0.929 ( 1.327 1.589 0.000) 2.071 1.012 ( 1.539 0.531 0.000) 1.628 1.039 ( -3.932 1.387 0.000) 4.170 1.135 ( 7.648 11.540 0.000) 13.844 1.190 ( 5.935 6.078 0.000) 8.495 1.231 ( 1.906 0.275 0.000) 1.926 1.243 ( 1.059 1.874 0.000) 2.153 1.269 ( -1.383 3.987 0.000) 4.220 1.314 ( -3.326 -1.322 0.000) 3.579 1.331 ( -1.108 0.469 0.000) 1.203 1.339 ( -0.962 1.110 0.000) 1.469 1.414 ( -0.170 2.250 0.000) 2.256 1.426 ( 2.061 -0.785 0.000) 2.206 1.428 ( -1.116 0.918 0.000) 1.445 1.440 ( -1.215 -1.282 0.000) 1.766 1.451 ( -0.825 0.083 0.000) 0.829 1.492 ( -2.388 -1.892 0.000) 3.047 1.615 ( 2.737 0.732 0.000) 2.833 1.626 ( 1.312 0.545 0.000) 1.420 1.630 ( 5.536 2.398 0.000) 6.033 1.641 ( 1.534 1.878 0.000) 2.425 1.656 ( -1.039 1.034 0.000) 1.466 1.716 ( -1.811 2.311 0.000) 2.937 1.721 ( 1.726 -0.865 0.000) 1.931 1.797 ( -5.894 -0.229 0.000) 5.898 1.919 ( 0.418 12.370 0.000) 12.377 1.941 ( -1.910 9.162 0.000) 9.359 1.947 ( -0.185 0.621 0.000) 0.648 1.978 ( -2.037 1.818 0.000) 2.730 2.019 ( -1.562 19.129 0.000) 19.193 2.050 ( -5.244 15.454 0.000) 16.320 2.080 ( -1.029 2.645 0.000) 2.838 2.104 ( -2.377 -2.806 0.000) 3.678 2.286 ( -0.794 -5.430 0.000) 5.488 2.286 ( -1.772 -7.549 0.000) 7.754 2.375 ( 1.268 -3.049 0.000) 3.302 2.389 ( -0.498 -0.883 0.000) 1.014 2.485 ( 3.435 -9.322 0.000) 9.934 2.539 ( -1.874 -10.242 0.000) 10.412 2.714 ( 3.517 -4.866 0.000) 6.004 2.793 ( -3.934 -4.720 0.000) 6.145 2.831 ( -0.336 1.490 0.000) 1.527 2.846 ( -1.511 1.026 0.000) 1.827 3.214 ( 2.416 12.923 0.000) 13.147 3.242 ( 0.200 11.034 0.000) 11.036 3.300 ( 0.881 10.716 0.000) 10.752 3.328 ( -1.136 13.692 0.000) 13.739 3.355 ( -0.667 -0.102 0.000) 0.675 3.365 ( -1.053 4.912 0.000) 5.023 3.415 ( 0.934 7.214 0.000) 7.275 3.427 ( -0.096 7.600 0.000) 7.601 3.495 ( -0.335 3.008 0.000) 3.026 3.514 ( -2.532 5.753 0.000) 6.286 3.739 ( 0.377 11.715 0.000) 11.721 3.740 ( 0.279 11.487 0.000) 11.490 4.122 ( 0.057 -3.748 0.000) 3.748 4.128 ( 0.018 -4.097 0.000) 4.097 4.251 ( 0.605 -3.343 0.000) 3.397 4.252 ( 0.242 -3.170 0.000) 3.180 4.377 ( 0.318 1.623 0.000) 1.654 4.381 ( 0.015 1.556 0.000) 1.556 4.907 ( 1.385 -11.988 0.000) 12.068 4.910 ( 1.114 -12.214 0.000) 12.265 5.123 ( -0.175 -7.229 0.000) 7.231 5.125 ( -0.364 -7.111 0.000) 7.120 5.164 ( 0.692 -11.492 0.000) 11.513 5.171 ( 0.017 -12.073 0.000) 12.073 5.244 ( 0.714 -13.203 0.000) 13.222 5.255 ( -0.650 -13.170 0.000) 13.186 5.428 ( 0.689 2.760 0.000) 2.845 5.435 ( 0.037 2.704 0.000) 2.704 5.533 ( 1.559 4.243 0.000) 4.520 5.545 ( 0.225 4.344 0.000) 4.350 5.584 ( 2.121 -0.772 0.000) 2.257 5.598 ( 0.830 -0.933 0.000) 1.249 5.884 ( 0.557 8.856 0.000) 8.873 5.895 ( -0.346 8.919 0.000) 8.926 6.098 ( -0.163 7.319 0.000) 7.320 6.103 ( -0.662 6.247 0.000) 6.282 6.124 ( 0.510 -2.330 0.000) 2.385 6.132 ( -0.247 -2.720 0.000) 2.731 6.178 ( -0.029 -5.866 0.000) 5.867 6.184 ( -0.678 -5.728 0.000) 5.768 6.550 ( 2.743 -5.053 0.000) 5.749 6.600 ( -2.360 -5.547 0.000) 6.028 6.743 ( 2.866 -5.369 0.000) 6.086 6.763 ( 3.090 -1.005 0.000) 3.250 6.782 ( -0.965 -1.355 0.000) 1.664 6.818 ( -2.369 -3.154 0.000) 3.944 6.843 ( 0.788 1.038 0.000) 1.303 6.875 ( -2.416 -2.120 0.000) 3.215 6.980 ( 0.279 11.329 0.000) 11.333 6.994 ( -1.420 10.842 0.000) 10.935 7.370 ( 0.032 -1.608 0.000) 1.608 7.377 ( -0.128 0.145 0.000) 0.193 7.403 ( -0.758 -0.276 0.000) 0.807 7.414 ( -2.168 -1.149 0.000) 2.454 7.583 ( 0.526 -1.959 0.000) 2.029 7.587 ( -0.023 -3.907 0.000) 3.907 7.633 ( 0.021 -2.855 0.000) 2.855 7.636 ( -0.382 -2.730 0.000) 2.756 7.658 ( 0.917 -0.920 0.000) 1.299 7.673 ( -0.760 0.193 0.000) 0.785 7.930 ( 2.777 -0.731 0.000) 2.872 7.955 ( 0.768 -1.535 0.000) 1.716 7.997 ( -0.690 2.479 0.000) 2.573 8.007 ( -0.979 0.735 0.000) 1.224 8.591 ( 0.291 17.728 0.000) 17.731 8.600 ( -0.620 17.825 0.000) 17.836 8.753 ( 0.970 3.238 0.000) 3.380 8.779 ( -1.142 1.476 0.000) 1.866 8.805 ( -0.055 -0.265 0.000) 0.271 8.816 ( -1.692 1.376 0.000) 2.180 9.166 ( -0.164 1.464 0.000) 1.473 9.171 ( -0.687 2.350 0.000) 2.448 9.420 ( 0.666 -5.944 0.000) 5.981 9.428 ( -0.155 -5.655 0.000) 5.657 9.534 ( 1.545 4.650 0.000) 4.900 9.565 ( -2.209 6.513 0.000) 6.878 9.705 ( 0.490 6.866 0.000) 6.883 9.711 ( -0.012 5.921 0.000) 5.921 9.739 ( -0.212 -3.352 0.000) 3.358 9.743 ( -0.618 -2.887 0.000) 2.952 9.929 ( 0.412 15.340 0.000) 15.345 9.932 ( 0.102 15.395 0.000) 15.395 10.110 ( 2.085 -4.154 0.000) 4.648 10.156 ( -2.841 -3.139 0.000) 4.233 10.291 ( 1.555 0.881 0.000) 1.787 10.328 ( -2.226 0.645 0.000) 2.317 10.434 ( 0.190 -8.431 0.000) 8.433 10.434 ( -0.004 -6.336 0.000) 6.336 10.512 ( 1.028 0.121 0.000) 1.036 10.529 ( 2.225 2.786 0.000) 3.566 10.548 ( -0.926 0.650 0.000) 1.131 10.618 ( 2.740 -2.035 0.000) 3.414 10.619 ( -5.186 -1.864 0.000) 5.511 10.660 ( -1.615 -0.535 0.000) 1.702 10.855 ( 1.951 1.546 0.000) 2.489 10.887 ( -1.138 -3.336 0.000) 3.525 10.956 ( 1.100 -4.678 0.000) 4.805 10.968 ( 0.149 -2.331 0.000) 2.336 11.458 ( 2.538 0.494 0.000) 2.585 11.467 ( 0.064 -2.755 0.000) 2.756 11.491 ( 0.943 2.045 0.000) 2.252 11.509 ( 0.008 15.076 0.000) 15.076 11.576 ( -1.193 15.023 0.000) 15.070 11.578 ( -1.015 7.661 0.000) 7.728 11.677 ( 0.617 5.215 0.000) 5.251 11.684 ( -0.278 7.321 0.000) 7.326 12.221 ( 0.291 4.053 0.000) 4.064 12.225 ( -0.103 4.184 0.000) 4.185 12.353 ( 0.036 5.706 0.000) 5.706 12.354 ( -0.069 5.931 0.000) 5.932 12.853 ( -1.525 -2.066 0.000) 2.568 12.853 ( -1.309 -1.829 0.000) 2.249 13.443 ( 0.289 -10.458 0.000) 10.462 13.450 ( -0.277 -10.467 0.000) 10.470 13.565 ( 0.015 2.685 0.000) 2.685 13.566 ( 0.040 2.287 0.000) 2.287 14.389 ( 0.154 -7.329 0.000) 7.330 14.392 ( -0.163 -7.107 0.000) 7.109 14.593 ( 0.019 2.157 0.000) 2.157 14.594 ( -0.060 2.224 0.000) 2.225 15.258 ( 1.096 9.283 0.000) 9.347 15.279 ( -1.072 9.250 0.000) 9.312 16.596 ( 2.802 -4.873 0.000) 5.621 16.640 ( -2.061 -5.090 0.000) 5.492 16.970 ( 1.567 -2.558 0.000) 3.000 16.992 ( -0.870 -2.214 0.000) 2.379 17.229 ( 8.841 -6.806 0.000) 11.157 17.364 ( -4.759 -17.363 0.000) 18.003 17.412 ( 2.347 -27.043 0.000) 27.145 17.480 ( -4.310 -21.411 0.000) 21.841 17.598 ( 0.406 -19.062 0.000) 19.066 17.619 ( -1.496 -14.730 0.000) 14.805 17.822 ( 1.927 -3.117 0.000) 3.665 17.844 ( -0.348 -2.155 0.000) 2.183 18.123 ( 0.948 -5.368 0.000) 5.451 18.137 ( -0.887 -7.101 0.000) 7.156 18.257 ( 1.506 -8.361 0.000) 8.495 18.289 ( -2.093 0.273 0.000) 2.111 18.313 ( 1.016 4.791 0.000) 4.898 18.326 ( 1.338 -6.840 0.000) 6.970 18.346 ( -0.050 -5.950 0.000) 5.951 18.357 ( -2.979 0.485 0.000) 3.018 18.536 ( 3.809 -6.718 0.000) 7.723 18.580 ( 0.456 -8.905 0.000) 8.916 18.685 ( 1.340 4.299 0.000) 4.503 18.721 ( -2.633 4.701 0.000) 5.388 18.844 ( 0.146 4.111 0.000) 4.114 18.852 ( -0.454 5.070 0.000) 5.090 18.937 ( 5.321 -13.268 0.000) 14.295 19.026 ( 0.697 -12.058 0.000) 12.078 19.055 ( 0.207 0.855 0.000) 0.879 19.171 ( -3.746 2.474 0.000) 4.489 19.180 ( 0.682 10.901 0.000) 10.922 19.209 ( -5.561 3.717 0.000) 6.689 19.316 ( -2.004 13.727 0.000) 13.872 19.318 ( -0.850 11.909 0.000) 11.939 20.237 ( -0.201 25.890 0.000) 25.891 20.240 ( -0.493 27.272 0.000) 27.276 20.456 ( 2.427 24.385 0.000) 24.505 20.495 ( -1.900 23.952 0.000) 24.027 20.682 ( 7.231 -8.329 0.000) 11.030 20.871 ( -12.431 -10.906 0.000) 16.537 21.136 ( 8.929 -9.386 0.000) 12.955 21.261 ( -3.593 -10.960 0.000) 11.534 ======================= Grid point 10 (7/24) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 8.350 0.000) 8.350 0.633 ( 0.000 10.262 0.000) 10.262 0.722 ( 0.000 -1.121 0.000) 1.121 0.762 ( 0.000 7.227 0.000) 7.227 0.798 ( 0.000 4.599 0.000) 4.599 0.825 ( 0.000 3.059 0.000) 3.059 0.921 ( 0.000 0.500 0.000) 0.500 0.939 ( 0.000 -0.979 0.000) 0.979 1.023 ( 0.000 6.601 0.000) 6.601 1.030 ( 0.000 4.211 0.000) 4.211 1.032 ( 0.000 11.981 0.000) 11.981 1.132 ( 0.000 4.158 0.000) 4.158 1.148 ( 0.000 1.196 0.000) 1.196 1.148 ( 0.000 -7.581 0.000) 7.581 1.177 ( 0.000 2.413 0.000) 2.413 1.187 ( 0.000 9.080 0.000) 9.080 1.284 ( 0.000 2.164 0.000) 2.164 1.305 ( 0.000 0.374 0.000) 0.374 1.315 ( 0.000 -4.627 0.000) 4.627 1.370 ( 0.000 0.333 0.000) 0.333 1.408 ( 0.000 2.122 0.000) 2.122 1.417 ( 0.000 -1.709 0.000) 1.709 1.436 ( 0.000 4.682 0.000) 4.682 1.473 ( 0.000 -0.995 0.000) 0.995 1.481 ( 0.000 1.890 0.000) 1.890 1.500 ( 0.000 -2.839 0.000) 2.839 1.546 ( 0.000 4.890 0.000) 4.890 1.597 ( 0.000 -2.209 0.000) 2.209 1.621 ( 0.000 2.129 0.000) 2.129 1.655 ( 0.000 -2.891 0.000) 2.891 1.676 ( 0.000 1.502 0.000) 1.502 1.679 ( 0.000 7.249 0.000) 7.249 1.812 ( 0.000 -3.334 0.000) 3.334 1.830 ( 0.000 1.226 0.000) 1.226 1.912 ( 0.000 -9.055 0.000) 9.055 1.942 ( 0.000 -5.773 0.000) 5.773 2.000 ( 0.000 -5.506 0.000) 5.506 2.021 ( 0.000 -1.389 0.000) 1.389 2.022 ( 0.000 1.092 0.000) 1.092 2.128 ( 0.000 1.460 0.000) 1.460 2.188 ( 0.000 -5.815 0.000) 5.815 2.264 ( 0.000 3.293 0.000) 3.293 2.278 ( 0.000 -13.142 0.000) 13.142 2.279 ( 0.000 -3.084 0.000) 3.084 2.329 ( 0.000 -1.262 0.000) 1.262 2.406 ( 0.000 -0.441 0.000) 0.441 2.585 ( 0.000 -2.587 0.000) 2.587 2.649 ( 0.000 -9.789 0.000) 9.789 2.776 ( 0.000 25.743 0.000) 25.743 2.939 ( 0.000 2.046 0.000) 2.046 2.942 ( 0.000 3.126 0.000) 3.126 3.148 ( 0.000 12.740 0.000) 12.740 3.362 ( 0.000 7.435 0.000) 7.435 3.379 ( 0.000 9.600 0.000) 9.600 3.391 ( 0.000 4.942 0.000) 4.942 3.405 ( 0.000 4.060 0.000) 4.060 3.478 ( 0.000 12.455 0.000) 12.455 3.497 ( 0.000 5.559 0.000) 5.559 3.625 ( 0.000 11.134 0.000) 11.134 3.669 ( 0.000 8.312 0.000) 8.312 3.717 ( 0.000 14.738 0.000) 14.738 3.769 ( 0.000 13.863 0.000) 13.863 3.888 ( 0.000 4.068 0.000) 4.068 3.942 ( 0.000 5.121 0.000) 5.121 4.042 ( 0.000 -1.174 0.000) 1.174 4.067 ( 0.000 3.419 0.000) 3.419 4.113 ( 0.000 -0.693 0.000) 0.693 4.162 ( 0.000 -0.300 0.000) 0.300 4.410 ( 0.000 0.993 0.000) 0.993 4.411 ( 0.000 1.071 0.000) 1.071 4.607 ( 0.000 -10.559 0.000) 10.559 4.609 ( 0.000 -10.657 0.000) 10.657 4.856 ( 0.000 -15.944 0.000) 15.944 4.869 ( 0.000 -13.676 0.000) 13.676 4.891 ( 0.000 -13.591 0.000) 13.591 4.920 ( 0.000 -17.796 0.000) 17.796 5.069 ( 0.000 -2.345 0.000) 2.345 5.075 ( 0.000 -1.928 0.000) 1.928 5.395 ( 0.000 -8.877 0.000) 8.877 5.410 ( 0.000 -8.872 0.000) 8.872 5.499 ( 0.000 3.519 0.000) 3.519 5.512 ( 0.000 3.835 0.000) 3.835 5.540 ( 0.000 0.453 0.000) 0.453 5.585 ( 0.000 -0.097 0.000) 0.097 6.034 ( 0.000 5.711 0.000) 5.711 6.065 ( 0.000 6.688 0.000) 6.688 6.095 ( 0.000 2.455 0.000) 2.455 6.129 ( 0.000 1.670 0.000) 1.670 6.161 ( 0.000 4.759 0.000) 4.759 6.167 ( 0.000 4.944 0.000) 4.944 6.288 ( 0.000 7.408 0.000) 7.408 6.315 ( 0.000 9.455 0.000) 9.455 6.362 ( 0.000 -5.647 0.000) 5.647 6.499 ( 0.000 -6.060 0.000) 6.060 6.570 ( 0.000 -6.446 0.000) 6.446 6.665 ( 0.000 -1.231 0.000) 1.231 6.747 ( 0.000 -7.994 0.000) 7.994 6.771 ( 0.000 -1.651 0.000) 1.651 6.822 ( 0.000 -3.656 0.000) 3.656 6.836 ( 0.000 -4.554 0.000) 4.554 7.222 ( 0.000 9.273 0.000) 9.273 7.245 ( 0.000 6.680 0.000) 6.680 7.339 ( 0.000 -2.439 0.000) 2.439 7.367 ( 0.000 -1.729 0.000) 1.729 7.435 ( 0.000 -1.351 0.000) 1.351 7.440 ( 0.000 -5.131 0.000) 5.131 7.450 ( 0.000 -1.881 0.000) 1.881 7.484 ( 0.000 -4.156 0.000) 4.156 7.558 ( 0.000 -0.189 0.000) 0.189 7.589 ( 0.000 -0.876 0.000) 0.876 7.660 ( 0.000 0.243 0.000) 0.243 7.702 ( 0.000 -0.578 0.000) 0.578 7.910 ( 0.000 4.307 0.000) 4.307 7.970 ( 0.000 3.364 0.000) 3.364 8.032 ( 0.000 0.200 0.000) 0.200 8.063 ( 0.000 0.800 0.000) 0.800 8.794 ( 0.000 1.829 0.000) 1.829 8.811 ( 0.000 0.962 0.000) 0.962 8.832 ( 0.000 3.772 0.000) 3.772 8.952 ( 0.000 2.398 0.000) 2.398 9.013 ( 0.000 19.727 0.000) 19.727 9.072 ( 0.000 21.170 0.000) 21.170 9.197 ( 0.000 1.196 0.000) 1.196 9.274 ( 0.000 4.081 0.000) 4.081 9.280 ( 0.000 -5.019 0.000) 5.019 9.336 ( 0.000 -3.185 0.000) 3.185 9.581 ( 0.000 3.624 0.000) 3.624 9.673 ( 0.000 -2.124 0.000) 2.124 9.674 ( 0.000 -0.135 0.000) 0.135 9.865 ( 0.000 8.457 0.000) 8.457 9.913 ( 0.000 9.273 0.000) 9.273 9.950 ( 0.000 -2.538 0.000) 2.538 9.953 ( 0.000 -2.769 0.000) 2.769 9.966 ( 0.000 -1.163 0.000) 1.163 10.254 ( 0.000 -7.698 0.000) 7.698 10.255 ( 0.000 6.619 0.000) 6.619 10.257 ( 0.000 -4.545 0.000) 4.545 10.270 ( 0.000 16.352 0.000) 16.352 10.350 ( 0.000 -2.636 0.000) 2.636 10.368 ( 0.000 -6.705 0.000) 6.705 10.415 ( 0.000 -0.268 0.000) 0.268 10.460 ( 0.000 -3.491 0.000) 3.491 10.480 ( 0.000 -1.411 0.000) 1.411 10.594 ( 0.000 6.031 0.000) 6.031 10.619 ( 0.000 -8.613 0.000) 8.613 10.720 ( 0.000 -11.007 0.000) 11.007 10.749 ( 0.000 -5.732 0.000) 5.732 10.770 ( 0.000 3.890 0.000) 3.890 10.976 ( 0.000 8.291 0.000) 8.291 10.988 ( 0.000 6.823 0.000) 6.823 11.330 ( 0.000 -0.430 0.000) 0.430 11.385 ( 0.000 -4.881 0.000) 4.881 11.484 ( 0.000 1.651 0.000) 1.651 11.621 ( 0.000 0.609 0.000) 0.609 11.630 ( 0.000 -0.484 0.000) 0.484 11.650 ( 0.000 2.578 0.000) 2.578 12.140 ( 0.000 20.482 0.000) 20.482 12.149 ( 0.000 13.566 0.000) 13.566 12.423 ( 0.000 17.865 0.000) 17.865 12.432 ( 0.000 12.334 0.000) 12.334 12.512 ( 0.000 15.324 0.000) 15.324 12.570 ( 0.000 21.588 0.000) 21.588 12.819 ( 0.000 -4.549 0.000) 4.549 12.820 ( 0.000 -5.724 0.000) 5.724 13.155 ( 0.000 -16.418 0.000) 16.418 13.178 ( 0.000 -15.809 0.000) 15.809 13.646 ( 0.000 5.751 0.000) 5.751 13.671 ( 0.000 6.409 0.000) 6.409 14.197 ( 0.000 -9.858 0.000) 9.858 14.222 ( 0.000 -9.192 0.000) 9.192 14.565 ( 0.000 -7.862 0.000) 7.862 14.572 ( 0.000 -7.468 0.000) 7.468 15.479 ( 0.000 13.305 0.000) 13.305 15.541 ( 0.000 13.113 0.000) 13.113 16.352 ( 0.000 -10.194 0.000) 10.194 16.483 ( 0.000 -13.628 0.000) 13.628 16.645 ( 0.000 -28.787 0.000) 28.787 16.669 ( 0.000 -26.009 0.000) 26.009 16.873 ( 0.000 0.166 0.000) 0.166 16.976 ( 0.000 -2.828 0.000) 2.828 16.991 ( 0.000 0.571 0.000) 0.571 17.126 ( 0.000 -22.694 0.000) 22.694 17.342 ( 0.000 -20.335 0.000) 20.335 17.344 ( 0.000 -9.366 0.000) 9.366 17.745 ( 0.000 2.179 0.000) 2.179 17.828 ( 0.000 0.276 0.000) 0.276 17.967 ( 0.000 -3.800 0.000) 3.800 18.006 ( 0.000 -9.390 0.000) 9.390 18.018 ( 0.000 -8.474 0.000) 8.474 18.019 ( 0.000 -6.686 0.000) 6.686 18.119 ( 0.000 -5.495 0.000) 5.495 18.170 ( 0.000 -12.748 0.000) 12.748 18.316 ( 0.000 -2.613 0.000) 2.613 18.341 ( 0.000 -3.974 0.000) 3.974 18.512 ( 0.000 -12.774 0.000) 12.774 18.534 ( 0.000 -18.077 0.000) 18.077 18.747 ( 0.000 17.006 0.000) 17.006 18.748 ( 0.000 9.607 0.000) 9.607 18.763 ( 0.000 11.277 0.000) 11.277 18.900 ( 0.000 1.851 0.000) 1.851 18.925 ( 0.000 3.308 0.000) 3.308 18.928 ( 0.000 5.391 0.000) 5.391 19.376 ( 0.000 2.301 0.000) 2.301 19.436 ( 0.000 13.829 0.000) 13.829 19.491 ( 0.000 16.045 0.000) 16.045 19.565 ( 0.000 6.501 0.000) 6.501 19.651 ( 0.000 16.997 0.000) 16.997 19.766 ( 0.000 3.731 0.000) 3.731 20.365 ( 0.000 -11.839 0.000) 11.839 20.638 ( 0.000 -11.395 0.000) 11.395 20.659 ( 0.000 -12.468 0.000) 12.468 20.751 ( 0.000 -10.898 0.000) 10.898 20.762 ( 0.000 21.555 0.000) 21.555 20.837 ( 0.000 19.063 0.000) 19.063 20.882 ( 0.000 8.321 0.000) 8.321 21.113 ( 0.000 10.577 0.000) 10.577 ======================= Grid point 11 (8/24) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.670 10.016 0.000) 10.039 0.622 ( 1.785 5.686 0.000) 5.960 0.734 ( 0.996 -0.820 0.000) 1.290 0.768 ( -0.268 8.111 0.000) 8.115 0.817 ( 1.125 5.966 0.000) 6.071 0.825 ( -0.261 2.504 0.000) 2.517 0.903 ( -0.973 2.906 0.000) 3.064 0.940 ( -0.858 1.331 0.000) 1.584 0.984 ( -1.309 4.284 0.000) 4.479 1.012 ( -1.089 2.743 0.000) 2.952 1.015 ( -0.667 9.036 0.000) 9.061 1.140 ( -2.020 -0.379 0.000) 2.055 1.162 ( 1.000 1.025 0.000) 1.432 1.171 ( 2.457 -2.970 0.000) 3.855 1.206 ( 4.445 6.905 0.000) 8.212 1.233 ( 3.228 5.229 0.000) 6.145 1.293 ( -0.035 -4.202 0.000) 4.202 1.316 ( 0.064 -0.942 0.000) 0.944 1.337 ( -1.339 0.539 0.000) 1.444 1.363 ( 3.920 2.303 0.000) 4.546 1.389 ( 0.059 0.762 0.000) 0.764 1.400 ( -0.971 1.451 0.000) 1.746 1.456 ( -1.057 0.735 0.000) 1.287 1.459 ( -3.018 -1.677 0.000) 3.453 1.474 ( -0.691 0.139 0.000) 0.705 1.481 ( 0.948 0.895 0.000) 1.304 1.588 ( 3.153 3.716 0.000) 4.873 1.618 ( 0.740 2.675 0.000) 2.775 1.621 ( 1.842 -0.252 0.000) 1.859 1.664 ( 1.406 -1.286 0.000) 1.906 1.677 ( 0.285 1.171 0.000) 1.205 1.691 ( 1.470 4.986 0.000) 5.198 1.802 ( -1.468 -0.670 0.000) 1.614 1.831 ( -0.092 -0.731 0.000) 0.737 1.923 ( 0.731 -5.980 0.000) 6.024 1.964 ( 1.513 -8.140 0.000) 8.280 1.988 ( -1.269 -4.932 0.000) 5.093 2.003 ( -1.750 0.815 0.000) 1.930 2.008 ( -0.495 -1.724 0.000) 1.793 2.065 ( -5.989 -0.519 0.000) 6.012 2.165 ( -2.205 -7.206 0.000) 7.536 2.185 ( -8.074 0.685 0.000) 8.103 2.285 ( 0.942 -2.458 0.000) 2.633 2.291 ( 1.223 -11.197 0.000) 11.264 2.340 ( 0.854 -2.149 0.000) 2.313 2.403 ( -0.256 0.384 0.000) 0.461 2.591 ( 0.421 -2.815 0.000) 2.847 2.657 ( 0.395 -8.741 0.000) 8.750 2.754 ( -1.278 24.960 0.000) 24.993 2.914 ( -2.752 3.177 0.000) 4.203 2.920 ( -1.779 2.749 0.000) 3.274 2.956 ( -11.571 20.005 0.000) 23.110 3.375 ( 0.872 6.200 0.000) 6.261 3.388 ( 0.241 5.864 0.000) 5.869 3.393 ( 0.761 4.330 0.000) 4.397 3.423 ( 0.727 5.288 0.000) 5.337 3.521 ( 3.559 8.411 0.000) 9.133 3.587 ( 4.661 13.408 0.000) 14.195 3.630 ( 0.394 11.684 0.000) 11.691 3.669 ( -0.575 8.375 0.000) 8.395 3.710 ( -0.804 14.820 0.000) 14.842 3.743 ( -1.716 13.413 0.000) 13.523 3.926 ( 3.106 3.847 0.000) 4.944 3.949 ( 0.745 4.519 0.000) 4.580 4.042 ( 0.121 0.973 0.000) 0.980 4.057 ( -0.269 3.343 0.000) 3.354 4.154 ( 2.946 -1.203 0.000) 3.182 4.179 ( 1.476 -0.792 0.000) 1.676 4.408 ( -0.256 1.064 0.000) 1.095 4.410 ( -0.072 0.877 0.000) 0.880 4.624 ( 1.639 -10.749 0.000) 10.874 4.626 ( 1.588 -10.755 0.000) 10.872 4.847 ( -0.478 -15.546 0.000) 15.554 4.877 ( 0.777 -13.670 0.000) 13.692 4.904 ( -1.523 -17.413 0.000) 17.480 4.907 ( 1.016 -14.717 0.000) 14.752 5.058 ( -1.325 -2.142 0.000) 2.519 5.060 ( -0.769 -2.915 0.000) 3.014 5.406 ( 0.986 -8.966 0.000) 9.020 5.420 ( 0.816 -8.814 0.000) 8.852 5.509 ( 0.962 2.850 0.000) 3.008 5.521 ( 0.810 3.325 0.000) 3.422 5.549 ( 0.826 -0.028 0.000) 0.827 5.586 ( 0.028 -0.505 0.000) 0.506 6.034 ( 0.119 5.739 0.000) 5.741 6.064 ( -0.207 6.310 0.000) 6.313 6.100 ( 0.481 2.430 0.000) 2.477 6.130 ( -0.042 2.125 0.000) 2.126 6.167 ( 0.545 4.589 0.000) 4.621 6.169 ( 0.192 5.233 0.000) 5.237 6.288 ( 0.189 8.094 0.000) 8.096 6.309 ( -0.503 9.893 0.000) 9.906 6.383 ( 1.976 -5.426 0.000) 5.775 6.492 ( -0.767 -6.108 0.000) 6.156 6.575 ( 0.657 -6.617 0.000) 6.650 6.690 ( 2.358 -1.503 0.000) 2.797 6.722 ( -2.461 -7.661 0.000) 8.046 6.774 ( 0.184 -1.955 0.000) 1.964 6.820 ( -0.160 -3.702 0.000) 3.706 6.832 ( -0.378 -4.727 0.000) 4.743 7.214 ( -0.685 8.838 0.000) 8.865 7.231 ( -1.213 7.139 0.000) 7.242 7.333 ( -0.760 -2.389 0.000) 2.507 7.359 ( -1.016 -2.610 0.000) 2.801 7.407 ( -1.343 -0.975 0.000) 1.660 7.432 ( -0.278 -1.332 0.000) 1.361 7.465 ( 0.852 -3.289 0.000) 3.398 7.513 ( 1.224 -2.997 0.000) 3.237 7.555 ( 0.436 -1.671 0.000) 1.727 7.578 ( -0.529 -1.731 0.000) 1.810 7.658 ( -0.328 0.073 0.000) 0.337 7.693 ( -1.034 -0.694 0.000) 1.245 7.926 ( 1.497 3.638 0.000) 3.933 7.972 ( 0.172 2.961 0.000) 2.966 8.032 ( -0.012 0.367 0.000) 0.367 8.056 ( -0.695 0.965 0.000) 1.189 8.793 ( -0.127 1.883 0.000) 1.888 8.805 ( -0.537 1.324 0.000) 1.429 8.834 ( 0.269 3.673 0.000) 3.682 8.931 ( -2.051 2.823 0.000) 3.489 9.008 ( -0.474 19.286 0.000) 19.292 9.053 ( -1.694 20.418 0.000) 20.488 9.194 ( -0.072 1.526 0.000) 1.528 9.259 ( -1.494 3.879 0.000) 4.157 9.287 ( 0.620 -5.000 0.000) 5.039 9.329 ( -0.679 -3.778 0.000) 3.839 9.594 ( 1.360 3.653 0.000) 3.898 9.662 ( -1.120 0.246 0.000) 1.147 9.673 ( 0.052 -1.613 0.000) 1.614 9.833 ( -4.941 3.895 0.000) 6.292 9.881 ( -0.708 8.671 0.000) 8.700 9.907 ( -0.607 9.090 0.000) 9.110 9.969 ( 1.669 -3.370 0.000) 3.761 10.019 ( 1.274 -7.202 0.000) 7.314 10.243 ( -0.180 -7.420 0.000) 7.422 10.258 ( 0.208 1.879 0.000) 1.890 10.276 ( 1.099 5.262 0.000) 5.375 10.278 ( 0.935 8.068 0.000) 8.122 10.313 ( -2.469 5.340 0.000) 5.883 10.394 ( 4.045 -3.267 0.000) 5.199 10.400 ( -2.376 -1.144 0.000) 2.637 10.478 ( 1.724 -3.762 0.000) 4.139 10.501 ( 1.072 -2.801 0.000) 2.999 10.601 ( -1.517 -6.708 0.000) 6.878 10.644 ( 2.937 2.134 0.000) 3.630 10.717 ( -0.561 -7.036 0.000) 7.058 10.746 ( -0.349 -6.674 0.000) 6.683 10.753 ( -1.425 0.638 0.000) 1.561 10.980 ( 0.598 7.518 0.000) 7.542 11.001 ( 1.076 5.641 0.000) 5.742 11.354 ( 1.962 -2.907 0.000) 3.507 11.384 ( -0.129 -4.910 0.000) 4.912 11.500 ( 1.800 2.733 0.000) 3.272 11.615 ( -0.600 1.217 0.000) 1.357 11.634 ( 0.481 -0.308 0.000) 0.571 11.654 ( 0.278 1.716 0.000) 1.739 12.137 ( -0.279 20.371 0.000) 20.373 12.143 ( -0.577 15.065 0.000) 15.076 12.427 ( 0.349 16.993 0.000) 16.996 12.434 ( 0.227 12.959 0.000) 12.961 12.519 ( 0.721 16.261 0.000) 16.277 12.565 ( -0.475 21.011 0.000) 21.016 12.810 ( -0.938 -4.727 0.000) 4.819 12.813 ( -0.621 -4.091 0.000) 4.138 13.155 ( -0.012 -16.124 0.000) 16.125 13.172 ( -0.535 -15.867 0.000) 15.876 13.646 ( 0.039 5.592 0.000) 5.592 13.665 ( -0.527 6.220 0.000) 6.242 14.197 ( 0.019 -9.891 0.000) 9.891 14.218 ( -0.402 -9.326 0.000) 9.335 14.569 ( 0.346 -7.907 0.000) 7.914 14.573 ( 0.105 -7.476 0.000) 7.477 15.486 ( 0.759 13.363 0.000) 13.385 15.538 ( -0.427 13.207 0.000) 13.214 16.376 ( 2.244 -10.641 0.000) 10.875 16.473 ( -0.803 -13.086 0.000) 13.111 16.657 ( 0.986 -28.806 0.000) 28.823 16.677 ( 0.658 -27.400 0.000) 27.408 16.894 ( 1.856 -0.518 0.000) 1.927 16.983 ( -0.803 0.383 0.000) 0.890 17.014 ( 4.058 -3.671 0.000) 5.472 17.143 ( 1.824 -22.038 0.000) 22.113 17.305 ( -3.451 -19.664 0.000) 19.965 17.332 ( -1.684 -10.292 0.000) 10.429 17.766 ( 1.719 1.452 0.000) 2.250 17.829 ( -0.053 0.087 0.000) 0.102 17.984 ( 1.520 -5.154 0.000) 5.374 17.996 ( -0.710 -6.924 0.000) 6.960 18.014 ( -0.524 -6.876 0.000) 6.896 18.026 ( 0.369 -11.902 0.000) 11.907 18.136 ( 1.713 -6.610 0.000) 6.829 18.175 ( 0.285 -10.014 0.000) 10.018 18.317 ( -1.607 -4.455 0.000) 4.736 18.330 ( 1.337 -5.292 0.000) 5.458 18.539 ( 2.788 -12.021 0.000) 12.340 18.565 ( 2.212 -13.829 0.000) 14.004 18.726 ( -1.588 16.602 0.000) 16.677 18.752 ( 0.561 11.940 0.000) 11.953 18.768 ( 0.932 6.005 0.000) 6.077 18.886 ( -2.363 5.129 0.000) 5.647 18.912 ( 1.159 2.221 0.000) 2.505 18.952 ( 0.758 3.870 0.000) 3.943 19.287 ( -8.319 2.240 0.000) 8.615 19.437 ( -10.509 3.394 0.000) 11.043 19.439 ( 0.659 14.558 0.000) 14.573 19.504 ( -2.072 13.091 0.000) 13.254 19.656 ( 0.442 17.382 0.000) 17.388 19.700 ( -3.227 14.376 0.000) 14.733 20.381 ( 1.870 -12.201 0.000) 12.344 20.670 ( 2.684 -7.724 0.000) 8.177 20.696 ( 2.475 -8.821 0.000) 9.162 20.701 ( -5.500 -16.203 0.000) 17.111 20.772 ( 0.737 18.682 0.000) 18.697 20.836 ( -3.143 15.843 0.000) 16.152 20.889 ( 5.886 16.313 0.000) 17.343 21.155 ( 2.170 6.108 0.000) 6.482 ======================= Grid point 12 (9/24) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 2.332 5.294 0.000) 5.785 0.652 ( 0.939 3.172 0.000) 3.308 0.750 ( 0.472 2.213 0.000) 2.263 0.751 ( -0.714 10.709 0.000) 10.733 0.796 ( -1.985 2.237 0.000) 2.991 0.798 ( -2.441 7.392 0.000) 7.785 0.913 ( 1.557 2.176 0.000) 2.676 0.939 ( -0.579 1.008 0.000) 1.163 0.968 ( 1.602 5.148 0.000) 5.392 1.012 ( -0.793 6.981 0.000) 7.026 1.033 ( 1.977 1.587 0.000) 2.535 1.073 ( -3.479 1.702 0.000) 3.873 1.203 ( 2.805 2.291 0.000) 3.622 1.217 ( 1.678 -0.667 0.000) 1.805 1.264 ( 1.238 0.587 0.000) 1.370 1.274 ( 0.663 1.632 0.000) 1.761 1.285 ( -1.176 -2.386 0.000) 2.660 1.287 ( -0.892 -2.216 0.000) 2.389 1.376 ( 1.920 4.055 0.000) 4.487 1.394 ( -0.010 -1.664 0.000) 1.664 1.395 ( 2.321 -2.444 0.000) 3.371 1.409 ( 0.772 4.098 0.000) 4.170 1.428 ( 0.605 -0.472 0.000) 0.767 1.443 ( -0.876 0.763 0.000) 1.161 1.452 ( -1.636 1.306 0.000) 2.094 1.461 ( -2.441 0.794 0.000) 2.567 1.612 ( 1.075 -0.320 0.000) 1.122 1.638 ( -0.525 0.376 0.000) 0.646 1.669 ( 1.821 2.073 0.000) 2.759 1.684 ( -0.086 1.009 0.000) 1.013 1.720 ( 4.265 1.438 0.000) 4.501 1.750 ( 4.471 4.637 0.000) 6.442 1.767 ( -1.476 1.194 0.000) 1.898 1.818 ( -1.620 1.338 0.000) 2.101 1.922 ( -0.860 -4.073 0.000) 4.163 1.933 ( -4.067 -1.267 0.000) 4.259 1.958 ( -2.286 -3.421 0.000) 4.115 1.964 ( -0.988 -3.047 0.000) 3.204 1.987 ( -0.844 -0.999 0.000) 1.308 2.008 ( -5.766 -1.086 0.000) 5.868 2.051 ( 2.335 -7.938 0.000) 8.275 2.113 ( -3.192 -9.143 0.000) 9.684 2.318 ( 2.016 -3.912 0.000) 4.401 2.320 ( 1.406 -8.483 0.000) 8.599 2.352 ( 0.521 -1.750 0.000) 1.826 2.384 ( -2.007 0.968 0.000) 2.229 2.604 ( 1.418 -3.067 0.000) 3.379 2.643 ( -2.008 -5.766 0.000) 6.106 2.755 ( 1.413 21.740 0.000) 21.786 2.805 ( -4.325 20.798 0.000) 21.243 2.881 ( -0.867 4.636 0.000) 4.716 2.887 ( -1.326 3.925 0.000) 4.143 3.391 ( 0.808 5.095 0.000) 5.159 3.394 ( 0.454 4.948 0.000) 4.969 3.406 ( 0.248 4.513 0.000) 4.520 3.415 ( -0.917 4.813 0.000) 4.900 3.608 ( 3.843 9.792 0.000) 10.520 3.627 ( 0.521 13.721 0.000) 13.731 3.638 ( 0.638 12.625 0.000) 12.641 3.651 ( -0.457 11.781 0.000) 11.790 3.690 ( -0.866 15.768 0.000) 15.792 3.711 ( -2.194 12.882 0.000) 13.067 3.965 ( 0.720 4.412 0.000) 4.470 3.966 ( 0.870 4.835 0.000) 4.913 4.048 ( 0.515 2.831 0.000) 2.878 4.056 ( -0.159 2.650 0.000) 2.655 4.197 ( 1.341 -1.333 0.000) 1.891 4.202 ( 0.654 -1.088 0.000) 1.270 4.405 ( -0.053 0.952 0.000) 0.954 4.407 ( -0.238 0.811 0.000) 0.845 4.654 ( 1.108 -10.963 0.000) 11.019 4.655 ( 1.034 -10.931 0.000) 10.979 4.846 ( 0.527 -15.895 0.000) 15.903 4.869 ( -1.705 -16.374 0.000) 16.463 4.897 ( 1.003 -14.165 0.000) 14.201 4.913 ( -0.443 -14.880 0.000) 14.887 5.043 ( -0.148 -3.123 0.000) 3.127 5.048 ( -0.478 -3.783 0.000) 3.813 5.425 ( 0.774 -8.978 0.000) 9.011 5.431 ( 0.181 -8.744 0.000) 8.746 5.528 ( 0.824 1.710 0.000) 1.898 5.533 ( 0.305 2.016 0.000) 2.039 5.567 ( 0.957 -0.559 0.000) 1.108 5.582 ( -0.557 -0.866 0.000) 1.030 6.042 ( 0.708 5.573 0.000) 5.618 6.056 ( -0.660 5.593 0.000) 5.632 6.112 ( 0.765 2.335 0.000) 2.457 6.125 ( -0.519 2.326 0.000) 2.383 6.174 ( 0.254 5.717 0.000) 5.723 6.175 ( 0.167 5.214 0.000) 5.216 6.295 ( 0.385 9.746 0.000) 9.753 6.301 ( -0.317 10.386 0.000) 10.390 6.427 ( 2.496 -5.767 0.000) 6.284 6.469 ( -1.771 -6.090 0.000) 6.342 6.602 ( 2.378 -7.093 0.000) 7.481 6.662 ( -3.627 -7.511 0.000) 8.340 6.739 ( 2.442 -2.026 0.000) 3.173 6.770 ( -0.814 -2.135 0.000) 2.285 6.818 ( 0.031 -3.923 0.000) 3.924 6.823 ( -0.473 -4.489 0.000) 4.514 7.204 ( -0.224 8.245 0.000) 8.248 7.209 ( -0.864 7.851 0.000) 7.899 7.319 ( -0.239 -2.623 0.000) 2.634 7.332 ( -1.436 -3.059 0.000) 3.379 7.403 ( 0.758 0.422 0.000) 0.867 7.423 ( -0.946 1.269 0.000) 1.582 7.482 ( 1.173 -3.463 0.000) 3.657 7.507 ( -1.251 -2.583 0.000) 2.870 7.581 ( 1.280 -2.881 0.000) 3.153 7.583 ( 0.726 -2.564 0.000) 2.665 7.651 ( -0.074 -0.718 0.000) 0.722 7.667 ( -1.505 -1.146 0.000) 1.892 7.956 ( 1.421 2.534 0.000) 2.905 7.973 ( -0.314 2.265 0.000) 2.286 8.032 ( 0.112 0.916 0.000) 0.923 8.040 ( -0.797 1.252 0.000) 1.485 8.791 ( 0.034 1.889 0.000) 1.889 8.795 ( -0.378 1.687 0.000) 1.729 8.847 ( 1.289 3.713 0.000) 3.930 8.885 ( -2.533 3.458 0.000) 4.286 9.004 ( 0.252 18.623 0.000) 18.625 9.020 ( -1.490 19.072 0.000) 19.130 9.202 ( 0.961 2.590 0.000) 2.763 9.227 ( -1.623 3.493 0.000) 3.852 9.299 ( 0.681 -5.149 0.000) 5.194 9.314 ( -0.864 -4.843 0.000) 4.920 9.623 ( 1.276 2.868 0.000) 3.139 9.641 ( -0.959 1.327 0.000) 1.637 9.686 ( 1.897 0.612 0.000) 1.993 9.745 ( -4.003 3.537 0.000) 5.342 9.884 ( 0.459 9.147 0.000) 9.158 9.894 ( -0.640 8.908 0.000) 8.930 10.000 ( 1.432 -5.358 0.000) 5.546 10.021 ( -0.733 -7.484 0.000) 7.519 10.248 ( 0.565 -6.908 0.000) 6.931 10.257 ( -0.302 -6.364 0.000) 6.371 10.291 ( 0.476 14.982 0.000) 14.990 10.294 ( -0.095 15.044 0.000) 15.044 10.306 ( 1.881 -0.078 0.000) 1.883 10.349 ( -2.654 -0.152 0.000) 2.659 10.475 ( 3.765 -3.591 0.000) 5.203 10.509 ( -0.211 -3.520 0.000) 3.526 10.513 ( 1.889 -3.923 0.000) 4.354 10.560 ( -2.733 -3.845 0.000) 4.717 10.674 ( 0.631 2.465 0.000) 2.545 10.692 ( -1.569 3.073 0.000) 3.450 10.738 ( -0.135 -8.255 0.000) 8.256 10.739 ( -0.248 -8.173 0.000) 8.177 10.998 ( 1.110 5.823 0.000) 5.928 11.012 ( -0.134 4.834 0.000) 4.836 11.378 ( 0.501 -5.091 0.000) 5.116 11.382 ( -0.077 -5.030 0.000) 5.031 11.550 ( 3.012 2.863 0.000) 4.156 11.595 ( -1.641 1.947 0.000) 2.547 11.646 ( 0.645 0.066 0.000) 0.648 11.655 ( -0.258 0.664 0.000) 0.713 12.132 ( -0.162 19.621 0.000) 19.621 12.133 ( -0.335 17.753 0.000) 17.756 12.434 ( 0.376 15.515 0.000) 15.519 12.438 ( 0.052 14.221 0.000) 14.222 12.537 ( 1.027 17.998 0.000) 18.028 12.554 ( -0.735 19.608 0.000) 19.622 12.795 ( -0.396 -3.310 0.000) 3.334 12.799 ( -0.707 -3.239 0.000) 3.315 13.156 ( 0.120 -15.830 0.000) 15.830 13.162 ( -0.513 -15.878 0.000) 15.886 13.648 ( 0.197 5.489 0.000) 5.493 13.655 ( -0.483 5.783 0.000) 5.803 14.200 ( 0.303 -9.868 0.000) 9.873 14.208 ( -0.538 -9.636 0.000) 9.651 14.574 ( 0.146 -7.747 0.000) 7.748 14.575 ( 0.075 -7.544 0.000) 7.544 15.505 ( 1.130 13.433 0.000) 13.480 15.525 ( -0.921 13.375 0.000) 13.407 16.422 ( 2.321 -11.419 0.000) 11.652 16.456 ( -1.208 -12.142 0.000) 12.202 16.674 ( 0.776 -29.073 0.000) 29.083 16.683 ( -0.127 -28.911 0.000) 28.911 16.930 ( 1.825 -0.672 0.000) 1.944 16.962 ( -1.450 -0.122 0.000) 1.455 17.118 ( 6.222 -7.507 0.000) 9.750 17.195 ( 3.688 -19.915 0.000) 20.254 17.225 ( -4.948 -15.093 0.000) 15.884 17.275 ( -4.221 -14.441 0.000) 15.045 17.797 ( 1.502 0.536 0.000) 1.595 17.820 ( -0.902 -0.049 0.000) 0.903 17.989 ( 0.213 -6.440 0.000) 6.443 18.001 ( -0.770 -7.212 0.000) 7.253 18.010 ( 1.041 -7.890 0.000) 7.958 18.025 ( -0.471 -11.679 0.000) 11.688 18.169 ( 1.285 -8.066 0.000) 8.167 18.178 ( 0.038 -7.654 0.000) 7.654 18.310 ( 1.126 -5.054 0.000) 5.178 18.339 ( -0.946 -6.894 0.000) 6.959 18.587 ( 0.963 -6.057 0.000) 6.133 18.588 ( 0.324 -4.030 0.000) 4.043 18.732 ( 2.941 8.764 0.000) 9.244 18.768 ( 0.188 4.626 0.000) 4.630 18.807 ( 2.890 4.677 0.000) 5.497 18.845 ( -1.791 5.573 0.000) 5.853 18.937 ( 1.326 2.803 0.000) 3.101 18.955 ( -0.445 3.439 0.000) 3.468 19.140 ( -4.661 3.445 0.000) 5.796 19.201 ( -10.493 2.031 0.000) 10.687 19.458 ( 1.238 14.709 0.000) 14.761 19.482 ( -1.162 15.142 0.000) 15.187 19.664 ( 0.345 18.100 0.000) 18.103 19.671 ( -0.584 18.100 0.000) 18.110 20.443 ( 4.899 -13.601 0.000) 14.457 20.565 ( -7.675 -16.342 0.000) 18.055 20.720 ( 2.133 -5.340 0.000) 5.751 20.730 ( 1.099 -4.579 0.000) 4.709 20.777 ( -0.124 19.562 0.000) 19.563 20.791 ( -1.734 20.653 0.000) 20.726 21.031 ( 7.745 7.755 0.000) 10.960 21.144 ( -3.605 4.324 0.000) 5.630 ======================= Grid point 15 (10/24) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 0.990 0.000) 0.990 0.697 ( 0.000 -1.055 0.000) 1.055 0.784 ( 0.000 6.723 0.000) 6.723 0.855 ( 0.000 0.895 0.000) 0.895 0.868 ( 0.000 0.546 0.000) 0.546 0.890 ( 0.000 3.288 0.000) 3.288 0.924 ( 0.000 -1.108 0.000) 1.108 0.928 ( 0.000 -0.472 0.000) 0.472 1.023 ( 0.000 -2.390 0.000) 2.390 1.063 ( 0.000 -6.590 0.000) 6.590 1.131 ( 0.000 0.097 0.000) 0.097 1.133 ( 0.000 0.810 0.000) 0.810 1.145 ( 0.000 2.337 0.000) 2.337 1.151 ( 0.000 0.155 0.000) 0.155 1.260 ( 0.000 1.432 0.000) 1.432 1.285 ( 0.000 0.925 0.000) 0.925 1.307 ( 0.000 7.372 0.000) 7.372 1.314 ( 0.000 1.944 0.000) 1.944 1.350 ( 0.000 1.852 0.000) 1.852 1.401 ( 0.000 -0.224 0.000) 0.224 1.406 ( 0.000 -2.506 0.000) 2.506 1.416 ( 0.000 2.857 0.000) 2.857 1.445 ( 0.000 0.844 0.000) 0.844 1.448 ( 0.000 -2.243 0.000) 2.243 1.560 ( 0.000 2.915 0.000) 2.915 1.566 ( 0.000 0.626 0.000) 0.626 1.597 ( 0.000 -1.735 0.000) 1.735 1.603 ( 0.000 6.567 0.000) 6.567 1.644 ( 0.000 3.374 0.000) 3.374 1.659 ( 0.000 -3.525 0.000) 3.525 1.677 ( 0.000 1.633 0.000) 1.633 1.756 ( 0.000 -6.266 0.000) 6.266 1.780 ( 0.000 -0.988 0.000) 0.988 1.819 ( 0.000 7.236 0.000) 7.236 1.845 ( 0.000 -3.889 0.000) 3.889 1.921 ( 0.000 13.539 0.000) 13.539 1.978 ( 0.000 1.090 0.000) 1.090 2.027 ( 0.000 -1.566 0.000) 1.566 2.040 ( 0.000 -8.818 0.000) 8.818 2.074 ( 0.000 -4.255 0.000) 4.255 2.076 ( 0.000 -3.256 0.000) 3.256 2.079 ( 0.000 5.933 0.000) 5.933 2.184 ( 0.000 -9.280 0.000) 9.280 2.206 ( 0.000 -4.475 0.000) 4.475 2.328 ( 0.000 1.483 0.000) 1.483 2.433 ( 0.000 -8.914 0.000) 8.914 2.443 ( 0.000 3.487 0.000) 3.487 2.521 ( 0.000 -3.454 0.000) 3.454 2.992 ( 0.000 2.806 0.000) 2.806 3.026 ( 0.000 1.503 0.000) 1.503 3.035 ( 0.000 5.474 0.000) 5.474 3.162 ( 0.000 -5.564 0.000) 5.564 3.462 ( 0.000 2.210 0.000) 2.210 3.466 ( 0.000 1.569 0.000) 1.569 3.485 ( 0.000 2.531 0.000) 2.531 3.494 ( 0.000 1.920 0.000) 1.920 3.626 ( 0.000 5.672 0.000) 5.672 3.710 ( 0.000 8.697 0.000) 8.697 3.726 ( 0.000 -3.518 0.000) 3.518 3.835 ( 0.000 -2.685 0.000) 2.685 4.001 ( 0.000 11.084 0.000) 11.084 4.037 ( 0.000 14.290 0.000) 14.290 4.049 ( 0.000 10.519 0.000) 10.519 4.065 ( 0.000 13.524 0.000) 13.524 4.110 ( 0.000 -0.388 0.000) 0.388 4.174 ( 0.000 0.283 0.000) 0.283 4.201 ( 0.000 5.615 0.000) 5.615 4.215 ( 0.000 5.398 0.000) 5.398 4.409 ( 0.000 -1.467 0.000) 1.467 4.410 ( 0.000 -0.438 0.000) 0.438 4.414 ( 0.000 -7.105 0.000) 7.105 4.428 ( 0.000 -5.146 0.000) 5.146 4.568 ( 0.000 -8.280 0.000) 8.280 4.575 ( 0.000 -12.132 0.000) 12.132 4.595 ( 0.000 -11.186 0.000) 11.186 4.617 ( 0.000 -10.872 0.000) 10.872 5.077 ( 0.000 3.255 0.000) 3.255 5.083 ( 0.000 2.961 0.000) 2.961 5.202 ( 0.000 -8.021 0.000) 8.021 5.206 ( 0.000 -8.625 0.000) 8.625 5.553 ( 0.000 1.361 0.000) 1.361 5.562 ( 0.000 1.557 0.000) 1.557 5.569 ( 0.000 0.867 0.000) 0.867 5.572 ( 0.000 -0.211 0.000) 0.211 6.126 ( 0.000 3.017 0.000) 3.017 6.152 ( 0.000 1.919 0.000) 1.919 6.155 ( 0.000 1.906 0.000) 1.906 6.156 ( 0.000 0.170 0.000) 0.170 6.284 ( 0.000 -1.092 0.000) 1.092 6.293 ( 0.000 1.410 0.000) 1.410 6.324 ( 0.000 7.774 0.000) 7.774 6.408 ( 0.000 -2.445 0.000) 2.445 6.434 ( 0.000 8.326 0.000) 8.326 6.499 ( 0.000 7.137 0.000) 7.137 6.518 ( 0.000 3.901 0.000) 3.901 6.605 ( 0.000 -4.786 0.000) 4.786 6.634 ( 0.000 -0.546 0.000) 0.546 6.675 ( 0.000 -9.557 0.000) 9.557 6.677 ( 0.000 -9.471 0.000) 9.471 6.707 ( 0.000 -4.494 0.000) 4.494 7.299 ( 0.000 -0.133 0.000) 0.133 7.302 ( 0.000 -0.900 0.000) 0.900 7.311 ( 0.000 0.033 0.000) 0.033 7.322 ( 0.000 -1.596 0.000) 1.596 7.415 ( 0.000 1.461 0.000) 1.461 7.423 ( 0.000 0.298 0.000) 0.298 7.430 ( 0.000 -0.380 0.000) 0.380 7.441 ( 0.000 -1.094 0.000) 1.094 7.588 ( 0.000 2.931 0.000) 2.931 7.603 ( 0.000 2.498 0.000) 2.498 7.645 ( 0.000 -1.814 0.000) 1.814 7.667 ( 0.000 -2.717 0.000) 2.717 7.987 ( 0.000 2.716 0.000) 2.716 8.024 ( 0.000 -0.941 0.000) 0.941 8.030 ( 0.000 2.098 0.000) 2.098 8.060 ( 0.000 -0.856 0.000) 0.856 8.847 ( 0.000 2.195 0.000) 2.195 8.862 ( 0.000 4.267 0.000) 4.267 8.878 ( 0.000 0.082 0.000) 0.082 8.947 ( 0.000 -2.867 0.000) 2.867 9.182 ( 0.000 0.389 0.000) 0.389 9.201 ( 0.000 -2.100 0.000) 2.100 9.294 ( 0.000 1.559 0.000) 1.559 9.304 ( 0.000 -0.202 0.000) 0.202 9.458 ( 0.000 18.445 0.000) 18.445 9.552 ( 0.000 18.976 0.000) 18.976 9.638 ( 0.000 1.644 0.000) 1.644 9.654 ( 0.000 -0.228 0.000) 0.228 9.725 ( 0.000 3.881 0.000) 3.881 9.792 ( 0.000 -10.760 0.000) 10.760 9.856 ( 0.000 -6.607 0.000) 6.607 9.858 ( 0.000 -8.032 0.000) 8.032 10.094 ( 0.000 11.128 0.000) 11.128 10.099 ( 0.000 -3.271 0.000) 3.271 10.116 ( 0.000 -4.712 0.000) 4.712 10.147 ( 0.000 9.231 0.000) 9.231 10.280 ( 0.000 -1.138 0.000) 1.138 10.290 ( 0.000 -2.984 0.000) 2.984 10.344 ( 0.000 -9.898 0.000) 9.898 10.352 ( 0.000 -7.508 0.000) 7.508 10.383 ( 0.000 3.626 0.000) 3.626 10.500 ( 0.000 -8.051 0.000) 8.051 10.538 ( 0.000 7.740 0.000) 7.740 10.563 ( 0.000 2.984 0.000) 2.984 10.582 ( 0.000 12.064 0.000) 12.064 10.637 ( 0.000 -4.640 0.000) 4.640 10.649 ( 0.000 -1.171 0.000) 1.171 10.765 ( 0.000 -4.502 0.000) 4.502 11.130 ( 0.000 6.429 0.000) 6.429 11.136 ( 0.000 6.728 0.000) 6.728 11.255 ( 0.000 -5.274 0.000) 5.274 11.269 ( 0.000 -5.951 0.000) 5.951 11.555 ( 0.000 3.445 0.000) 3.445 11.608 ( 0.000 -1.640 0.000) 1.640 11.643 ( 0.000 1.452 0.000) 1.452 11.669 ( 0.000 -0.583 0.000) 0.583 12.408 ( 0.000 13.546 0.000) 13.546 12.450 ( 0.000 14.179 0.000) 14.179 12.606 ( 0.000 6.668 0.000) 6.668 12.609 ( 0.000 6.550 0.000) 6.550 12.688 ( 0.000 -8.402 0.000) 8.402 12.707 ( 0.000 -6.606 0.000) 6.606 12.795 ( 0.000 -15.118 0.000) 15.118 12.820 ( 0.000 -16.401 0.000) 16.401 13.277 ( 0.000 42.729 0.000) 42.729 13.296 ( 0.000 40.144 0.000) 40.144 13.798 ( 0.000 8.447 0.000) 8.447 13.833 ( 0.000 8.749 0.000) 8.749 13.982 ( 0.000 -10.955 0.000) 10.955 14.014 ( 0.000 -11.611 0.000) 11.611 14.126 ( 0.000 -32.249 0.000) 32.249 14.140 ( 0.000 -31.650 0.000) 31.650 15.780 ( 0.000 14.788 0.000) 14.788 15.842 ( 0.000 15.016 0.000) 15.016 16.090 ( 0.000 -14.029 0.000) 14.029 16.169 ( 0.000 -15.541 0.000) 15.541 16.378 ( 0.000 3.863 0.000) 3.863 16.468 ( 0.000 7.363 0.000) 7.363 16.666 ( 0.000 -19.727 0.000) 19.727 16.841 ( 0.000 -23.930 0.000) 23.930 16.886 ( 0.000 1.114 0.000) 1.114 16.922 ( 0.000 -2.266 0.000) 2.266 17.042 ( 0.000 4.092 0.000) 4.092 17.165 ( 0.000 -7.312 0.000) 7.312 17.807 ( 0.000 2.532 0.000) 2.532 17.844 ( 0.000 1.019 0.000) 1.019 17.854 ( 0.000 -4.087 0.000) 4.087 17.893 ( 0.000 -4.239 0.000) 4.239 17.902 ( 0.000 -1.089 0.000) 1.089 17.936 ( 0.000 1.889 0.000) 1.889 17.979 ( 0.000 -6.449 0.000) 6.449 18.028 ( 0.000 -4.943 0.000) 4.943 18.258 ( 0.000 -3.034 0.000) 3.034 18.264 ( 0.000 -5.686 0.000) 5.686 18.276 ( 0.000 -0.481 0.000) 0.481 18.322 ( 0.000 -5.297 0.000) 5.297 18.858 ( 0.000 3.974 0.000) 3.974 18.911 ( 0.000 -0.939 0.000) 0.939 18.981 ( 0.000 1.682 0.000) 1.682 18.985 ( 0.000 1.794 0.000) 1.794 19.074 ( 0.000 13.607 0.000) 13.607 19.123 ( 0.000 16.008 0.000) 16.008 19.306 ( 0.000 -7.712 0.000) 7.712 19.430 ( 0.000 -12.154 0.000) 12.154 19.756 ( 0.000 15.551 0.000) 15.551 19.878 ( 0.000 19.224 0.000) 19.224 20.014 ( 0.000 16.932 0.000) 16.932 20.038 ( 0.000 15.887 0.000) 15.887 20.080 ( 0.000 -14.675 0.000) 14.675 20.304 ( 0.000 -20.520 0.000) 20.520 20.359 ( 0.000 -15.469 0.000) 15.469 20.369 ( 0.000 -15.309 0.000) 15.309 21.089 ( 0.000 8.490 0.000) 8.490 21.112 ( 0.000 6.232 0.000) 6.232 21.168 ( 0.000 9.410 0.000) 9.410 21.249 ( 0.000 1.636 0.000) 1.636 ======================= Grid point 16 (11/24) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.583 1.403 0.000) 1.519 0.709 ( 1.308 -1.251 0.000) 1.810 0.774 ( -1.203 5.706 0.000) 5.831 0.829 ( -0.918 -0.137 0.000) 0.928 0.899 ( 0.819 2.650 0.000) 2.774 0.901 ( 0.803 2.320 0.000) 2.455 0.930 ( -0.227 -0.401 0.000) 0.461 0.940 ( 1.070 -0.079 0.000) 1.073 0.975 ( -2.292 -0.781 0.000) 2.422 1.095 ( 2.919 -10.409 0.000) 10.811 1.132 ( 0.089 2.285 0.000) 2.287 1.134 ( 0.470 5.419 0.000) 5.439 1.167 ( 1.219 -0.080 0.000) 1.222 1.175 ( 2.895 0.500 0.000) 2.938 1.249 ( -0.937 1.964 0.000) 2.176 1.298 ( 0.776 -2.326 0.000) 2.452 1.308 ( 0.518 1.510 0.000) 1.596 1.315 ( 0.755 8.533 0.000) 8.566 1.349 ( -1.136 -1.959 0.000) 2.264 1.378 ( -2.880 3.562 0.000) 4.581 1.404 ( 1.405 1.131 0.000) 1.804 1.427 ( 0.474 -1.210 0.000) 1.300 1.442 ( 0.105 0.574 0.000) 0.584 1.460 ( 0.383 -0.932 0.000) 1.008 1.533 ( -3.078 4.858 0.000) 5.751 1.564 ( 0.126 3.458 0.000) 3.460 1.604 ( 0.413 -1.441 0.000) 1.499 1.631 ( 1.510 -2.126 0.000) 2.608 1.650 ( -0.069 0.251 0.000) 0.260 1.680 ( 3.702 3.332 0.000) 4.980 1.703 ( 2.599 1.683 0.000) 3.096 1.754 ( -0.170 -5.080 0.000) 5.083 1.788 ( -0.218 0.256 0.000) 0.336 1.817 ( -0.041 4.274 0.000) 4.274 1.851 ( 0.144 -1.964 0.000) 1.969 1.896 ( -0.927 7.207 0.000) 7.267 1.965 ( -1.353 -0.108 0.000) 1.358 1.976 ( -5.417 -5.989 0.000) 8.075 1.999 ( -2.474 -2.086 0.000) 3.236 2.050 ( -1.371 -1.059 0.000) 1.732 2.062 ( -1.880 5.891 0.000) 6.184 2.099 ( -7.417 -7.792 0.000) 10.758 2.102 ( 1.422 -6.118 0.000) 6.281 2.199 ( -0.758 -5.818 0.000) 5.867 2.344 ( 1.641 2.557 0.000) 3.038 2.451 ( 0.383 3.541 0.000) 3.562 2.461 ( 2.153 -8.378 0.000) 8.650 2.527 ( 0.174 -3.328 0.000) 3.333 2.967 ( -2.156 3.589 0.000) 4.187 3.002 ( -2.924 4.976 0.000) 5.771 3.012 ( -1.124 0.997 0.000) 1.503 3.097 ( -5.124 -2.380 0.000) 5.650 3.463 ( 0.218 2.375 0.000) 2.385 3.472 ( 0.541 1.667 0.000) 1.753 3.481 ( -0.295 2.658 0.000) 2.675 3.494 ( -0.239 1.391 0.000) 1.411 3.671 ( 4.199 5.144 0.000) 6.640 3.755 ( 3.027 5.897 0.000) 6.628 3.756 ( 2.881 -2.611 0.000) 3.888 3.852 ( 1.240 -1.998 0.000) 2.352 4.009 ( 0.900 10.864 0.000) 10.902 4.035 ( -0.072 14.222 0.000) 14.222 4.051 ( 0.069 11.187 0.000) 11.187 4.056 ( -0.770 14.442 0.000) 14.463 4.134 ( 2.146 -0.586 0.000) 2.225 4.182 ( 0.641 -0.235 0.000) 0.683 4.218 ( 1.568 6.084 0.000) 6.283 4.232 ( 1.513 5.823 0.000) 6.017 4.412 ( 0.305 -1.130 0.000) 1.171 4.413 ( 0.280 -0.387 0.000) 0.478 4.422 ( 0.753 -7.859 0.000) 7.895 4.435 ( 0.582 -6.159 0.000) 6.186 4.560 ( -0.664 -8.148 0.000) 8.175 4.567 ( -0.678 -11.341 0.000) 11.361 4.601 ( 0.561 -11.358 0.000) 11.372 4.619 ( 0.106 -11.425 0.000) 11.426 5.066 ( -0.931 3.571 0.000) 3.690 5.069 ( -1.202 3.394 0.000) 3.601 5.201 ( -0.055 -8.757 0.000) 8.757 5.206 ( -0.024 -9.250 0.000) 9.250 5.556 ( 0.290 1.365 0.000) 1.395 5.565 ( 0.176 1.281 0.000) 1.293 5.574 ( 0.461 0.706 0.000) 0.844 5.575 ( 0.314 0.129 0.000) 0.339 6.127 ( 0.100 3.065 0.000) 3.067 6.149 ( -0.257 2.216 0.000) 2.231 6.158 ( 0.087 1.633 0.000) 1.636 6.159 ( 0.241 0.085 0.000) 0.255 6.300 ( 1.622 -1.036 0.000) 1.925 6.305 ( 1.237 1.931 0.000) 2.293 6.329 ( 0.497 7.542 0.000) 7.558 6.401 ( -0.833 -2.062 0.000) 2.224 6.442 ( 0.846 7.312 0.000) 7.361 6.496 ( -0.281 6.546 0.000) 6.552 6.521 ( 0.329 4.405 0.000) 4.417 6.614 ( -1.951 -0.049 0.000) 1.952 6.622 ( 1.565 -5.356 0.000) 5.580 6.674 ( -0.339 -9.300 0.000) 9.306 6.675 ( 0.026 -9.145 0.000) 9.145 6.706 ( -0.241 -4.690 0.000) 4.696 7.291 ( -0.689 -0.085 0.000) 0.695 7.297 ( -0.662 -0.836 0.000) 1.067 7.298 ( -1.156 0.173 0.000) 1.169 7.308 ( -1.275 -1.468 0.000) 1.944 7.419 ( 0.325 1.704 0.000) 1.735 7.432 ( 1.439 1.310 0.000) 1.946 7.451 ( 2.007 -0.157 0.000) 2.013 7.464 ( 1.881 -2.338 0.000) 3.001 7.571 ( -1.609 3.128 0.000) 3.517 7.580 ( -2.142 2.560 0.000) 3.338 7.636 ( -0.967 -2.224 0.000) 2.425 7.652 ( -1.546 -3.093 0.000) 3.458 7.994 ( 0.668 2.459 0.000) 2.549 8.027 ( -0.240 2.014 0.000) 2.028 8.028 ( 0.335 -0.807 0.000) 0.874 8.057 ( -0.389 -0.757 0.000) 0.851 8.846 ( -0.040 2.428 0.000) 2.428 8.860 ( -0.244 4.133 0.000) 4.140 8.880 ( 0.272 0.042 0.000) 0.275 8.939 ( -0.933 -2.351 0.000) 2.529 9.178 ( -0.266 0.693 0.000) 0.743 9.203 ( 0.180 -2.298 0.000) 2.305 9.267 ( -2.559 1.568 0.000) 3.001 9.282 ( -2.061 -0.750 0.000) 2.193 9.454 ( -0.241 17.984 0.000) 17.986 9.517 ( -2.624 16.527 0.000) 16.734 9.646 ( 0.958 0.850 0.000) 1.281 9.678 ( 1.755 2.202 0.000) 2.816 9.719 ( -0.586 4.112 0.000) 4.153 9.777 ( -1.491 -9.760 0.000) 9.874 9.847 ( -0.929 -8.618 0.000) 8.668 9.849 ( -0.665 -6.655 0.000) 6.688 10.097 ( 0.289 10.930 0.000) 10.934 10.110 ( 1.500 0.884 0.000) 1.742 10.142 ( -0.219 7.231 0.000) 7.234 10.164 ( 3.743 -5.305 0.000) 6.493 10.232 ( -2.420 2.047 0.000) 3.170 10.302 ( -0.550 -6.847 0.000) 6.869 10.346 ( -0.132 -7.125 0.000) 7.127 10.358 ( 0.546 -9.506 0.000) 9.521 10.419 ( 2.990 2.199 0.000) 3.712 10.519 ( 1.789 -7.012 0.000) 7.236 10.540 ( 0.325 6.284 0.000) 6.293 10.558 ( -0.287 4.455 0.000) 4.464 10.584 ( 0.197 11.221 0.000) 11.222 10.630 ( -0.808 -3.899 0.000) 3.982 10.669 ( 1.603 -1.512 0.000) 2.203 10.751 ( -1.408 -3.829 0.000) 4.079 11.131 ( 0.076 6.209 0.000) 6.209 11.133 ( -0.217 6.670 0.000) 6.673 11.257 ( 0.131 -5.575 0.000) 5.576 11.267 ( -0.208 -6.003 0.000) 6.007 11.570 ( 1.516 3.031 0.000) 3.389 11.617 ( 0.852 -1.413 0.000) 1.650 11.640 ( -0.274 1.401 0.000) 1.427 11.666 ( -0.365 -0.631 0.000) 0.729 12.415 ( 0.683 13.775 0.000) 13.792 12.449 ( -0.149 14.228 0.000) 14.229 12.610 ( 0.419 6.407 0.000) 6.420 12.612 ( 0.279 6.472 0.000) 6.478 12.694 ( 0.568 -7.556 0.000) 7.577 12.710 ( 0.178 -6.346 0.000) 6.348 12.796 ( 0.097 -15.061 0.000) 15.061 12.815 ( -0.516 -16.133 0.000) 16.141 13.281 ( 0.333 42.362 0.000) 42.363 13.297 ( 0.015 40.191 0.000) 40.191 13.796 ( -0.130 8.386 0.000) 8.387 13.825 ( -0.808 8.669 0.000) 8.707 13.982 ( 0.046 -10.726 0.000) 10.726 14.009 ( -0.480 -11.145 0.000) 11.155 14.127 ( 0.079 -32.656 0.000) 32.656 14.138 ( -0.220 -32.249 0.000) 32.249 15.789 ( 0.935 14.942 0.000) 14.971 15.840 ( -0.256 15.089 0.000) 15.092 16.105 ( 1.421 -14.381 0.000) 14.451 16.167 ( -0.226 -15.386 0.000) 15.387 16.386 ( 0.765 3.817 0.000) 3.893 16.456 ( -1.091 6.686 0.000) 6.775 16.678 ( 1.257 -20.042 0.000) 20.081 16.815 ( -2.407 -23.298 0.000) 23.422 16.905 ( 1.854 1.281 0.000) 2.254 16.949 ( 2.782 -2.789 0.000) 3.939 17.030 ( -1.296 3.944 0.000) 4.152 17.149 ( -1.759 -7.214 0.000) 7.425 17.820 ( 1.154 2.523 0.000) 2.774 17.842 ( -0.197 0.958 0.000) 0.979 17.857 ( 0.368 -3.674 0.000) 3.692 17.889 ( -0.366 -3.952 0.000) 3.969 17.897 ( -0.430 -1.087 0.000) 1.169 17.937 ( -0.095 1.132 0.000) 1.136 17.987 ( 0.781 -7.380 0.000) 7.421 18.021 ( -0.615 -5.245 0.000) 5.281 18.247 ( 0.456 -0.699 0.000) 0.834 18.280 ( 0.547 0.429 0.000) 0.695 18.316 ( 3.684 -7.417 0.000) 8.282 18.349 ( 2.385 -6.083 0.000) 6.534 18.873 ( 1.449 4.056 0.000) 4.307 18.927 ( 1.521 -0.906 0.000) 1.770 18.961 ( -1.405 3.301 0.000) 3.587 18.992 ( 0.036 0.534 0.000) 0.536 19.044 ( -2.698 12.388 0.000) 12.679 19.083 ( -3.666 14.084 0.000) 14.554 19.244 ( -5.666 -6.054 0.000) 8.292 19.339 ( -8.375 -9.240 0.000) 12.470 19.763 ( 0.766 15.625 0.000) 15.644 19.863 ( -1.528 18.540 0.000) 18.603 20.026 ( 1.197 16.369 0.000) 16.412 20.046 ( 0.694 16.826 0.000) 16.840 20.092 ( 1.269 -13.783 0.000) 13.842 20.275 ( -3.251 -20.136 0.000) 20.397 20.388 ( 2.541 -16.245 0.000) 16.442 20.392 ( 2.277 -15.574 0.000) 15.739 21.097 ( 0.861 8.975 0.000) 9.016 21.137 ( 2.417 5.258 0.000) 5.787 21.158 ( -0.828 10.209 0.000) 10.242 21.255 ( 0.170 0.877 0.000) 0.894 ======================= Grid point 17 (12/24) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 1.774 2.420 0.000) 3.001 0.742 ( -1.979 4.427 0.000) 4.850 0.746 ( 2.585 -1.184 0.000) 2.843 0.801 ( -2.773 -0.977 0.000) 2.940 0.889 ( -0.001 2.457 0.000) 2.457 0.902 ( -0.847 1.730 0.000) 1.926 0.922 ( -0.209 -0.553 0.000) 0.591 0.924 ( -0.710 -1.536 0.000) 1.692 1.031 ( 5.113 2.984 0.000) 5.920 1.115 ( -2.911 3.293 0.000) 4.395 1.154 ( 3.244 2.784 0.000) 4.274 1.167 ( 2.176 -3.040 0.000) 3.738 1.180 ( 0.175 1.434 0.000) 1.445 1.218 ( -2.575 1.576 0.000) 3.019 1.237 ( 3.357 0.052 0.000) 3.358 1.291 ( -2.133 -1.536 0.000) 2.628 1.323 ( 0.603 -0.108 0.000) 0.613 1.329 ( 0.271 4.815 0.000) 4.823 1.341 ( 0.204 -1.264 0.000) 1.281 1.341 ( -0.362 0.408 0.000) 0.545 1.410 ( 0.602 1.533 0.000) 1.647 1.447 ( 1.266 -1.112 0.000) 1.685 1.451 ( -0.382 0.276 0.000) 0.471 1.452 ( -1.458 1.762 0.000) 2.287 1.493 ( 1.426 4.142 0.000) 4.381 1.546 ( -2.455 4.739 0.000) 5.337 1.605 ( -0.483 -0.897 0.000) 1.019 1.612 ( -1.700 -4.095 0.000) 4.434 1.688 ( 2.197 1.245 0.000) 2.525 1.717 ( -1.051 3.267 0.000) 3.432 1.759 ( 1.493 -3.777 0.000) 4.061 1.765 ( 3.598 2.125 0.000) 4.179 1.791 ( 2.108 -0.528 0.000) 2.173 1.814 ( -0.940 1.659 0.000) 1.907 1.835 ( -2.536 -5.539 0.000) 6.092 1.874 ( -4.441 -3.441 0.000) 5.619 1.911 ( 2.075 1.592 0.000) 2.616 1.946 ( -1.099 1.065 0.000) 1.531 1.956 ( -1.554 -1.147 0.000) 1.931 1.971 ( -3.732 -1.582 0.000) 4.054 2.025 ( -0.898 1.151 0.000) 1.460 2.030 ( -1.461 3.558 0.000) 3.846 2.134 ( 2.033 -8.399 0.000) 8.641 2.174 ( -1.935 -8.323 0.000) 8.545 2.388 ( 2.931 3.796 0.000) 4.796 2.439 ( -1.913 3.617 0.000) 4.091 2.497 ( 1.552 -6.307 0.000) 6.495 2.519 ( -0.856 -3.872 0.000) 3.966 2.936 ( -0.612 4.289 0.000) 4.332 2.950 ( -2.054 4.505 0.000) 4.952 2.998 ( -0.052 0.225 0.000) 0.231 3.020 ( -2.594 -0.229 0.000) 2.604 3.470 ( 0.506 2.319 0.000) 2.374 3.477 ( -0.141 2.356 0.000) 2.360 3.480 ( 0.245 1.585 0.000) 1.603 3.486 ( -0.472 1.565 0.000) 1.635 3.750 ( 3.366 4.327 0.000) 5.482 3.784 ( -0.160 4.539 0.000) 4.542 3.817 ( 3.118 -1.194 0.000) 3.339 3.858 ( -0.952 -0.943 0.000) 1.340 4.030 ( 1.085 10.384 0.000) 10.440 4.036 ( 0.257 15.051 0.000) 15.054 4.043 ( -0.469 15.623 0.000) 15.630 4.046 ( -0.582 11.239 0.000) 11.254 4.172 ( 1.618 -1.123 0.000) 1.970 4.189 ( -0.147 -1.113 0.000) 1.123 4.248 ( 1.243 6.865 0.000) 6.977 4.255 ( 0.580 6.735 0.000) 6.760 4.418 ( 0.207 0.127 0.000) 0.243 4.418 ( 0.163 0.258 0.000) 0.306 4.437 ( 0.636 -9.580 0.000) 9.602 4.443 ( 0.071 -8.810 0.000) 8.810 4.552 ( 0.021 -8.068 0.000) 8.068 4.557 ( -0.368 -9.223 0.000) 9.230 4.610 ( 0.365 -11.961 0.000) 11.966 4.617 ( -0.318 -12.133 0.000) 12.137 5.050 ( -0.518 3.889 0.000) 3.923 5.051 ( -0.503 3.919 0.000) 3.951 5.201 ( 0.099 -9.839 0.000) 9.840 5.204 ( -0.169 -10.030 0.000) 10.032 5.562 ( 0.306 1.282 0.000) 1.318 5.566 ( -0.055 1.114 0.000) 1.115 5.581 ( 0.270 0.437 0.000) 0.514 5.582 ( 0.235 0.495 0.000) 0.548 6.131 ( 0.378 2.990 0.000) 3.014 6.141 ( -0.597 2.648 0.000) 2.715 6.160 ( 0.163 1.056 0.000) 1.068 6.162 ( -0.014 0.326 0.000) 0.326 6.329 ( 1.126 3.844 0.000) 4.006 6.338 ( 0.157 6.371 0.000) 6.373 6.340 ( 2.212 -1.364 0.000) 2.599 6.377 ( -1.631 -1.690 0.000) 2.349 6.464 ( 1.351 5.298 0.000) 5.468 6.486 ( -0.863 5.258 0.000) 5.328 6.535 ( 1.268 5.294 0.000) 5.444 6.570 ( -2.369 2.949 0.000) 3.783 6.650 ( 1.092 -7.835 0.000) 7.911 6.664 ( -0.617 -9.441 0.000) 9.461 6.681 ( 0.681 -7.287 0.000) 7.319 6.696 ( -0.747 -5.491 0.000) 5.542 7.279 ( -0.378 -0.325 0.000) 0.498 7.280 ( -0.525 0.046 0.000) 0.527 7.282 ( -0.648 -0.511 0.000) 0.825 7.284 ( -0.928 -1.100 0.000) 1.439 7.440 ( 1.661 2.736 0.000) 3.200 7.457 ( 0.625 1.881 0.000) 1.982 7.488 ( 1.528 1.104 0.000) 1.885 7.500 ( 1.209 -1.932 0.000) 2.279 7.539 ( -1.262 2.328 0.000) 2.648 7.542 ( -1.225 0.897 0.000) 1.519 7.613 ( -1.093 -2.946 0.000) 3.143 7.617 ( -1.649 -3.523 0.000) 3.890 8.008 ( 0.766 2.034 0.000) 2.173 8.020 ( -0.503 1.893 0.000) 1.958 8.036 ( 0.528 -0.554 0.000) 0.766 8.047 ( -0.597 -0.547 0.000) 0.809 8.847 ( 0.214 2.976 0.000) 2.984 8.854 ( -0.390 3.655 0.000) 3.675 8.891 ( 0.938 -0.232 0.000) 0.966 8.915 ( -1.472 -1.150 0.000) 1.868 9.181 ( 0.882 1.218 0.000) 1.504 9.212 ( 0.923 -2.469 0.000) 2.636 9.214 ( -2.560 1.515 0.000) 2.975 9.240 ( -2.019 -1.900 0.000) 2.772 9.456 ( 0.489 17.040 0.000) 17.047 9.476 ( -1.656 16.225 0.000) 16.309 9.674 ( 1.826 0.359 0.000) 1.861 9.703 ( -1.138 3.356 0.000) 3.544 9.708 ( 1.534 1.245 0.000) 1.976 9.742 ( -2.039 -5.382 0.000) 5.755 9.833 ( -0.339 -8.779 0.000) 8.786 9.836 ( -0.560 -7.712 0.000) 7.732 10.105 ( 0.572 10.591 0.000) 10.606 10.117 ( -0.623 9.993 0.000) 10.012 10.163 ( 1.985 0.444 0.000) 2.034 10.196 ( -1.563 1.803 0.000) 2.387 10.231 ( 3.078 -5.161 0.000) 6.009 10.278 ( -1.908 -5.728 0.000) 6.038 10.348 ( 0.250 -8.939 0.000) 8.942 10.355 ( -0.484 -9.921 0.000) 9.933 10.480 ( 3.205 1.816 0.000) 3.683 10.529 ( -1.747 1.557 0.000) 2.340 10.556 ( 1.701 -3.549 0.000) 3.936 10.565 ( 0.598 6.327 0.000) 6.355 10.589 ( 0.428 8.043 0.000) 8.055 10.608 ( -1.386 -1.380 0.000) 1.955 10.696 ( 1.263 -1.748 0.000) 2.157 10.721 ( -1.491 -2.425 0.000) 2.847 11.130 ( -0.018 6.316 0.000) 6.316 11.131 ( -0.039 6.007 0.000) 6.007 11.259 ( 0.119 -5.975 0.000) 5.976 11.262 ( -0.214 -6.070 0.000) 6.074 11.604 ( 1.760 2.078 0.000) 2.723 11.630 ( -0.940 1.455 0.000) 1.732 11.636 ( 1.093 -0.982 0.000) 1.469 11.655 ( -0.838 -0.725 0.000) 1.108 12.430 ( 0.810 14.136 0.000) 14.159 12.443 ( -0.508 14.266 0.000) 14.275 12.618 ( 0.284 6.155 0.000) 6.162 12.618 ( 0.263 6.262 0.000) 6.268 12.705 ( 0.494 -6.248 0.000) 6.268 12.711 ( -0.117 -5.934 0.000) 5.935 12.798 ( 0.203 -15.078 0.000) 15.079 12.804 ( -0.469 -15.512 0.000) 15.519 13.288 ( 0.424 41.474 0.000) 41.477 13.295 ( -0.220 40.595 0.000) 40.596 13.796 ( 0.290 8.360 0.000) 8.365 13.808 ( -0.851 8.493 0.000) 8.536 13.986 ( 0.399 -10.465 0.000) 10.472 13.997 ( -0.724 -10.559 0.000) 10.584 14.129 ( 0.203 -33.196 0.000) 33.196 14.134 ( -0.231 -33.086 0.000) 33.087 15.811 ( 1.206 15.175 0.000) 15.223 15.830 ( -0.794 15.212 0.000) 15.232 16.135 ( 1.578 -15.005 0.000) 15.088 16.158 ( -0.810 -15.288 0.000) 15.310 16.405 ( 1.226 4.254 0.000) 4.427 16.431 ( -1.478 5.342 0.000) 5.543 16.712 ( 2.317 -20.941 0.000) 21.069 16.762 ( -2.934 -22.119 0.000) 22.312 16.948 ( 2.572 2.125 0.000) 3.336 16.995 ( -2.275 3.254 0.000) 3.970 17.019 ( 4.287 -4.412 0.000) 6.152 17.097 ( -3.683 -6.258 0.000) 7.261 17.836 ( 0.363 1.957 0.000) 1.991 17.839 ( -0.078 1.171 0.000) 1.174 17.867 ( 0.613 -3.069 0.000) 3.130 17.880 ( -0.659 -3.199 0.000) 3.267 17.899 ( 0.948 -0.702 0.000) 1.179 17.924 ( -1.270 -0.081 0.000) 1.273 18.003 ( 0.684 -7.901 0.000) 7.930 18.011 ( -0.368 -6.630 0.000) 6.640 18.270 ( 1.593 1.691 0.000) 2.323 18.288 ( -0.076 1.671 0.000) 1.673 18.381 ( 2.523 -8.645 0.000) 9.005 18.391 ( 1.419 -7.767 0.000) 7.895 18.904 ( 1.614 4.222 0.000) 4.520 18.932 ( -1.543 4.499 0.000) 4.757 18.959 ( 1.677 -0.811 0.000) 1.863 18.984 ( -0.869 -0.187 0.000) 0.889 19.003 ( -0.934 10.091 0.000) 10.134 19.018 ( -2.459 10.298 0.000) 10.588 19.147 ( -2.855 -3.180 0.000) 4.274 19.183 ( -6.425 -4.335 0.000) 7.751 19.787 ( 1.748 16.008 0.000) 16.103 19.826 ( -2.225 17.087 0.000) 17.232 20.050 ( 1.036 17.544 0.000) 17.575 20.057 ( 0.302 18.124 0.000) 18.126 20.128 ( 2.744 -15.069 0.000) 15.317 20.197 ( -4.347 -17.769 0.000) 18.293 20.430 ( 1.365 -17.111 0.000) 17.165 20.431 ( 1.264 -16.842 0.000) 16.889 21.118 ( 1.222 10.059 0.000) 10.133 21.140 ( -1.095 10.743 0.000) 10.799 21.192 ( 3.117 2.974 0.000) 4.308 21.241 ( -1.774 1.016 0.000) 2.044 ======================= Grid point 35 (13/24) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 0.000 12.598) 12.598 0.265 ( 0.000 0.000 13.312) 13.312 0.459 ( 0.000 0.000 -7.769) 7.769 0.481 ( 0.000 0.000 -7.991) 7.991 0.531 ( 0.000 0.000 20.498) 20.498 0.677 ( 0.000 0.000 7.143) 7.143 0.727 ( 0.000 0.000 2.330) 2.330 0.756 ( 0.000 0.000 -7.198) 7.198 0.770 ( 0.000 0.000 -1.971) 1.971 0.823 ( 0.000 0.000 -4.207) 4.207 0.893 ( 0.000 0.000 1.099) 1.099 0.915 ( 0.000 0.000 -1.038) 1.038 1.047 ( 0.000 0.000 5.084) 5.084 1.119 ( 0.000 0.000 2.594) 2.594 1.181 ( 0.000 0.000 -3.507) 3.507 1.185 ( 0.000 0.000 -5.605) 5.605 1.213 ( 0.000 0.000 -1.838) 1.838 1.217 ( 0.000 0.000 2.157) 2.157 1.278 ( 0.000 0.000 5.053) 5.053 1.343 ( 0.000 0.000 3.293) 3.293 1.371 ( 0.000 0.000 -0.276) 0.276 1.392 ( 0.000 0.000 2.236) 2.236 1.417 ( 0.000 0.000 -0.290) 0.290 1.468 ( 0.000 0.000 0.205) 0.205 1.472 ( 0.000 0.000 -6.738) 6.738 1.482 ( 0.000 0.000 -1.207) 1.207 1.521 ( 0.000 0.000 2.649) 2.649 1.565 ( 0.000 0.000 -1.408) 1.408 1.576 ( 0.000 0.000 1.355) 1.355 1.600 ( 0.000 0.000 -1.121) 1.121 1.622 ( 0.000 0.000 0.473) 0.473 1.661 ( 0.000 0.000 0.279) 0.279 1.662 ( 0.000 0.000 0.735) 0.735 1.685 ( 0.000 0.000 -5.875) 5.875 1.732 ( 0.000 0.000 3.638) 3.638 1.843 ( 0.000 0.000 -6.708) 6.708 2.049 ( 0.000 0.000 -0.700) 0.700 2.066 ( 0.000 0.000 -0.061) 0.061 2.070 ( 0.000 0.000 -0.411) 0.411 2.084 ( 0.000 0.000 -7.712) 7.712 2.096 ( 0.000 0.000 4.146) 4.146 2.204 ( 0.000 0.000 -6.588) 6.588 2.338 ( 0.000 0.000 0.848) 0.848 2.344 ( 0.000 0.000 2.282) 2.282 2.362 ( 0.000 0.000 0.759) 0.759 2.362 ( 0.000 0.000 -1.384) 1.384 2.768 ( 0.000 0.000 1.943) 1.943 2.799 ( 0.000 0.000 -0.488) 0.488 2.871 ( 0.000 0.000 1.633) 1.633 2.898 ( 0.000 0.000 17.275) 17.275 2.918 ( 0.000 0.000 -2.352) 2.352 3.027 ( 0.000 0.000 -2.582) 2.582 3.039 ( 0.000 0.000 0.960) 0.960 3.040 ( 0.000 0.000 6.035) 6.035 3.061 ( 0.000 0.000 -1.083) 1.083 3.288 ( 0.000 0.000 -12.677) 12.677 3.372 ( 0.000 0.000 1.609) 1.609 3.404 ( 0.000 0.000 -1.514) 1.514 3.404 ( 0.000 0.000 0.765) 0.765 3.420 ( 0.000 0.000 -0.695) 0.695 3.477 ( 0.000 0.000 0.151) 0.151 3.480 ( 0.000 0.000 -0.132) 0.132 3.512 ( 0.000 0.000 1.468) 1.468 3.532 ( 0.000 0.000 -0.669) 0.669 4.162 ( 0.000 0.000 3.791) 3.791 4.190 ( 0.000 0.000 1.934) 1.934 4.239 ( 0.000 0.000 -2.233) 2.233 4.248 ( 0.000 0.000 -3.851) 3.851 4.335 ( 0.000 0.000 0.538) 0.538 4.346 ( 0.000 0.000 -0.548) 0.548 5.003 ( 0.000 0.000 0.432) 0.432 5.014 ( 0.000 0.000 -0.581) 0.581 5.185 ( 0.000 0.000 0.488) 0.488 5.195 ( 0.000 0.000 -0.449) 0.449 5.346 ( 0.000 0.000 -0.011) 0.011 5.355 ( 0.000 0.000 -0.824) 0.824 5.370 ( 0.000 0.000 0.485) 0.485 5.382 ( 0.000 0.000 -0.622) 0.622 5.403 ( 0.000 0.000 1.047) 1.047 5.415 ( 0.000 0.000 -0.115) 0.115 5.416 ( 0.000 0.000 2.747) 2.747 5.425 ( 0.000 0.000 1.362) 1.362 5.452 ( 0.000 0.000 -1.103) 1.103 5.475 ( 0.000 0.000 -2.809) 2.809 5.740 ( 0.000 0.000 0.324) 0.324 5.748 ( 0.000 0.000 -0.442) 0.442 6.034 ( 0.000 0.000 0.597) 0.597 6.047 ( 0.000 0.000 -0.619) 0.619 6.173 ( 0.000 0.000 0.182) 0.182 6.177 ( 0.000 0.000 -0.200) 0.200 6.326 ( 0.000 0.000 0.519) 0.519 6.335 ( 0.000 0.000 -0.387) 0.387 6.605 ( 0.000 0.000 4.270) 4.270 6.686 ( 0.000 0.000 1.814) 1.814 6.688 ( 0.000 0.000 -3.862) 3.862 6.737 ( 0.000 0.000 -3.107) 3.107 6.796 ( 0.000 0.000 0.264) 0.264 6.804 ( 0.000 0.000 -0.474) 0.474 6.819 ( 0.000 0.000 1.402) 1.402 6.847 ( 0.000 0.000 -1.380) 1.380 6.879 ( 0.000 0.000 5.193) 5.193 6.979 ( 0.000 0.000 -4.553) 4.553 7.373 ( 0.000 0.000 1.536) 1.536 7.400 ( 0.000 0.000 -1.069) 1.069 7.501 ( 0.000 0.000 0.886) 0.886 7.522 ( 0.000 0.000 -1.081) 1.081 7.567 ( 0.000 0.000 0.927) 0.927 7.593 ( 0.000 0.000 -1.760) 1.760 7.657 ( 0.000 0.000 1.296) 1.296 7.677 ( 0.000 0.000 -0.781) 0.781 7.702 ( 0.000 0.000 1.528) 1.528 7.728 ( 0.000 0.000 -1.024) 1.024 7.891 ( 0.000 0.000 1.505) 1.505 7.925 ( 0.000 0.000 -1.790) 1.790 8.013 ( 0.000 0.000 0.486) 0.486 8.020 ( 0.000 0.000 -0.191) 0.191 8.333 ( 0.000 0.000 0.662) 0.662 8.346 ( 0.000 0.000 -0.622) 0.622 8.747 ( 0.000 0.000 2.898) 2.898 8.800 ( 0.000 0.000 -1.973) 1.973 8.813 ( 0.000 0.000 0.821) 0.821 8.834 ( 0.000 0.000 -1.390) 1.390 9.162 ( 0.000 0.000 0.460) 0.460 9.171 ( 0.000 0.000 -0.447) 0.447 9.427 ( 0.000 0.000 0.356) 0.356 9.435 ( 0.000 0.000 -0.396) 0.396 9.503 ( 0.000 0.000 0.219) 0.219 9.507 ( 0.000 0.000 -0.179) 0.179 9.579 ( 0.000 0.000 0.914) 0.914 9.599 ( 0.000 0.000 -1.021) 1.021 9.730 ( 0.000 0.000 0.053) 0.053 9.731 ( 0.000 0.000 -0.051) 0.051 9.800 ( 0.000 0.000 0.159) 0.159 9.803 ( 0.000 0.000 -0.116) 0.116 10.108 ( 0.000 0.000 4.030) 4.030 10.213 ( 0.000 0.000 -6.576) 6.576 10.244 ( 0.000 0.000 0.058) 0.058 10.245 ( 0.000 0.000 -0.060) 0.060 10.442 ( 0.000 0.000 2.594) 2.594 10.474 ( 0.000 0.000 -0.900) 0.900 10.610 ( 0.000 0.000 0.489) 0.489 10.615 ( 0.000 0.000 0.067) 0.067 10.656 ( 0.000 0.000 0.093) 0.093 10.658 ( 0.000 0.000 -0.097) 0.097 10.687 ( 0.000 0.000 1.977) 1.977 10.720 ( 0.000 0.000 -1.363) 1.363 10.883 ( 0.000 0.000 2.030) 2.030 10.916 ( 0.000 0.000 -0.628) 0.628 11.001 ( 0.000 0.000 -0.536) 0.536 11.032 ( 0.000 0.000 -3.792) 3.792 11.202 ( 0.000 0.000 0.111) 0.111 11.204 ( 0.000 0.000 -0.110) 0.110 11.347 ( 0.000 0.000 8.356) 8.356 11.473 ( 0.000 0.000 -3.639) 3.639 11.529 ( 0.000 0.000 0.301) 0.301 11.551 ( 0.000 0.000 -2.579) 2.579 11.620 ( 0.000 0.000 0.513) 0.513 11.629 ( 0.000 0.000 -0.333) 0.333 12.182 ( 0.000 0.000 0.195) 0.195 12.187 ( 0.000 0.000 -0.213) 0.213 12.291 ( 0.000 0.000 0.092) 0.092 12.293 ( 0.000 0.000 -0.092) 0.092 13.006 ( 0.000 0.000 1.236) 1.236 13.031 ( 0.000 0.000 -1.230) 1.230 13.527 ( 0.000 0.000 0.052) 0.052 13.530 ( 0.000 0.000 -0.196) 0.196 13.555 ( 0.000 0.000 0.087) 0.087 13.556 ( 0.000 0.000 0.033) 0.033 14.469 ( 0.000 0.000 0.052) 0.052 14.471 ( 0.000 0.000 -0.052) 0.052 14.568 ( 0.000 0.000 0.038) 0.038 14.569 ( 0.000 0.000 -0.039) 0.039 15.147 ( 0.000 0.000 1.827) 1.827 15.185 ( 0.000 0.000 -1.784) 1.784 16.611 ( 0.000 0.000 6.008) 6.008 16.745 ( 0.000 0.000 -6.701) 6.701 17.028 ( 0.000 0.000 -0.146) 0.146 17.033 ( 0.000 0.000 -0.918) 0.918 17.621 ( 0.000 0.000 3.154) 3.154 17.686 ( 0.000 0.000 -3.887) 3.887 17.699 ( 0.000 0.000 5.118) 5.118 17.796 ( 0.000 0.000 -4.079) 4.079 17.870 ( 0.000 0.000 3.946) 3.946 17.933 ( 0.000 0.000 -2.471) 2.471 17.974 ( 0.000 0.000 0.735) 0.735 17.988 ( 0.000 0.000 -0.617) 0.617 18.125 ( 0.000 0.000 0.103) 0.103 18.128 ( 0.000 0.000 -0.106) 0.106 18.265 ( 0.000 0.000 0.791) 0.791 18.285 ( 0.000 0.000 -1.073) 1.073 18.382 ( 0.000 0.000 0.829) 0.829 18.399 ( 0.000 0.000 -0.778) 0.778 18.445 ( 0.000 0.000 0.085) 0.085 18.446 ( 0.000 0.000 -0.087) 0.087 18.530 ( 0.000 0.000 3.782) 3.782 18.597 ( 0.000 0.000 0.115) 0.115 18.599 ( 0.000 0.000 -0.113) 0.113 18.614 ( 0.000 0.000 -4.295) 4.295 18.799 ( 0.000 0.000 2.349) 2.349 18.816 ( 0.000 0.000 0.031) 0.031 18.817 ( 0.000 0.000 -0.028) 0.028 18.846 ( 0.000 0.000 -2.170) 2.170 18.975 ( 0.000 0.000 0.010) 0.010 18.976 ( 0.000 0.000 -0.009) 0.009 19.058 ( 0.000 0.000 0.095) 0.095 19.060 ( 0.000 0.000 -0.094) 0.094 19.307 ( 0.000 0.000 0.027) 0.027 19.308 ( 0.000 0.000 -0.027) 0.027 19.813 ( 0.000 0.000 5.863) 5.863 19.934 ( 0.000 0.000 -5.728) 5.728 20.048 ( 0.000 0.000 0.049) 0.049 20.049 ( 0.000 0.000 -0.050) 0.050 20.921 ( 0.000 0.000 0.942) 0.942 20.941 ( 0.000 0.000 -0.931) 0.931 21.469 ( 0.000 0.000 2.290) 2.290 21.514 ( 0.000 0.000 -2.015) 2.015 ======================= Grid point 36 (14/24) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 6.744 0.000 8.104) 10.543 0.395 ( 9.840 0.000 9.304) 13.542 0.489 ( 2.280 0.000 -6.388) 6.783 0.516 ( 2.433 0.000 3.258) 4.066 0.584 ( 2.144 0.000 8.715) 8.975 0.628 ( 1.112 0.000 -0.410) 1.185 0.744 ( 1.512 0.000 2.613) 3.018 0.793 ( 1.751 0.000 -2.407) 2.977 0.797 ( 2.988 0.000 -3.117) 4.318 0.843 ( 0.735 0.000 -4.185) 4.249 0.883 ( 0.282 0.000 2.397) 2.413 0.926 ( 1.799 0.000 -1.936) 2.643 1.045 ( 0.348 0.000 5.113) 5.125 1.133 ( 0.390 0.000 2.065) 2.102 1.166 ( -3.796 0.000 -3.258) 5.002 1.183 ( -1.068 0.000 -0.337) 1.120 1.185 ( -0.308 0.000 -2.971) 2.987 1.232 ( 0.096 0.000 -6.081) 6.081 1.295 ( 0.885 0.000 4.927) 5.006 1.384 ( -0.403 0.000 -0.730) 0.834 1.391 ( -0.055 0.000 1.691) 1.692 1.415 ( -0.125 0.000 -0.520) 0.535 1.432 ( 7.243 0.000 1.481) 7.393 1.441 ( -1.970 0.000 0.932) 2.180 1.468 ( -1.496 0.000 -1.194) 1.914 1.482 ( 1.635 0.000 -0.774) 1.809 1.522 ( 2.451 0.000 0.129) 2.454 1.554 ( 0.038 0.000 -1.991) 1.992 1.585 ( -0.447 0.000 1.390) 1.460 1.607 ( 2.718 0.000 0.959) 2.882 1.626 ( 2.282 0.000 -0.895) 2.451 1.642 ( -0.858 0.000 -2.451) 2.597 1.674 ( 1.152 0.000 0.906) 1.466 1.695 ( 1.355 0.000 -2.456) 2.805 1.796 ( 1.140 0.000 1.205) 1.659 1.859 ( -0.530 0.000 -4.461) 4.493 2.004 ( -2.476 0.000 2.583) 3.578 2.010 ( -5.035 0.000 -0.042) 5.035 2.013 ( -5.086 0.000 -0.299) 5.095 2.060 ( -1.747 0.000 -2.289) 2.879 2.145 ( 1.419 0.000 -1.813) 2.302 2.199 ( -1.371 0.000 -4.587) 4.787 2.345 ( 0.215 0.000 2.194) 2.204 2.358 ( 2.042 0.000 0.970) 2.260 2.380 ( 1.736 0.000 -1.125) 2.069 2.402 ( 2.444 0.000 -4.127) 4.796 2.779 ( 0.575 0.000 1.129) 1.267 2.811 ( 0.752 0.000 -1.183) 1.402 2.832 ( -7.292 0.000 14.355) 16.101 2.857 ( -1.005 0.000 1.880) 2.132 2.898 ( -1.776 0.000 -1.575) 2.374 2.912 ( -13.078 0.000 8.154) 15.412 3.035 ( -2.649 0.000 -1.586) 3.088 3.067 ( -6.601 0.000 -4.782) 8.151 3.069 ( 2.822 0.000 0.909) 2.965 3.086 ( 2.281 0.000 -0.756) 2.403 3.361 ( -1.119 0.000 1.106) 1.573 3.374 ( -1.997 0.000 0.092) 1.999 3.387 ( -2.171 0.000 -0.194) 2.180 3.394 ( -1.526 0.000 -1.081) 1.870 3.501 ( 1.690 0.000 0.119) 1.694 3.503 ( 1.822 0.000 -0.079) 1.824 3.519 ( 0.483 0.000 0.710) 0.859 3.536 ( 0.090 0.000 -0.892) 0.896 4.122 ( 0.219 0.000 -0.786) 0.815 4.154 ( -2.788 0.000 -2.937) 4.049 4.295 ( 4.134 0.000 0.990) 4.251 4.322 ( -1.190 0.000 0.388) 1.252 4.329 ( 2.567 0.000 -1.696) 3.077 4.330 ( -1.491 0.000 -0.378) 1.538 5.028 ( 2.321 0.000 0.283) 2.338 5.038 ( 2.147 0.000 -0.603) 2.230 5.192 ( 0.642 0.000 0.454) 0.786 5.201 ( 0.529 0.000 -0.402) 0.664 5.342 ( -0.486 0.000 0.241) 0.542 5.351 ( -0.522 0.000 -0.623) 0.813 5.378 ( 0.890 0.000 0.528) 1.035 5.388 ( 0.619 0.000 -0.409) 0.742 5.411 ( 0.919 0.000 0.708) 1.160 5.413 ( 2.068 0.000 3.128) 3.750 5.423 ( 0.753 0.000 -0.358) 0.834 5.470 ( 2.582 0.000 -1.767) 3.129 5.507 ( 4.856 0.000 1.218) 5.007 5.530 ( 2.860 0.000 -0.491) 2.901 5.747 ( 0.654 0.000 0.322) 0.729 5.753 ( 0.520 0.000 -0.326) 0.613 6.024 ( -0.990 0.000 0.538) 1.127 6.035 ( -1.171 0.000 -0.510) 1.278 6.177 ( 0.375 0.000 0.143) 0.402 6.180 ( 0.299 0.000 -0.169) 0.343 6.305 ( -1.358 0.000 0.278) 1.386 6.313 ( -1.740 0.000 -0.417) 1.790 6.605 ( 0.114 0.000 3.412) 3.414 6.678 ( -1.078 0.000 -3.675) 3.830 6.724 ( 3.405 0.000 1.280) 3.638 6.758 ( 2.113 0.000 -1.845) 2.806 6.793 ( -0.241 0.000 0.379) 0.449 6.801 ( -0.347 0.000 -0.128) 0.370 6.819 ( 0.034 0.000 0.899) 0.900 6.843 ( -0.469 0.000 -1.249) 1.334 6.865 ( -0.798 0.000 4.904) 4.968 6.964 ( -1.826 0.000 -4.587) 4.938 7.369 ( -0.308 0.000 1.137) 1.178 7.391 ( -0.839 0.000 -0.969) 1.282 7.463 ( -3.313 0.000 0.975) 3.454 7.485 ( -3.470 0.000 -1.183) 3.666 7.575 ( 0.771 0.000 0.864) 1.158 7.598 ( 0.368 0.000 -1.487) 1.532 7.656 ( -0.028 0.000 1.169) 1.169 7.674 ( -0.338 0.000 -0.619) 0.706 7.700 ( -0.236 0.000 1.128) 1.152 7.720 ( -0.834 0.000 -0.761) 1.129 7.914 ( 2.299 0.000 0.997) 2.506 7.938 ( 1.398 0.000 -1.252) 1.876 8.009 ( 0.061 0.000 0.884) 0.886 8.022 ( 0.393 0.000 -0.366) 0.537 8.337 ( 0.372 0.000 0.519) 0.638 8.347 ( 0.103 0.000 -0.510) 0.520 8.739 ( -0.703 0.000 2.591) 2.685 8.789 ( -1.482 0.000 -1.929) 2.432 8.812 ( -0.126 0.000 0.554) 0.568 8.826 ( -0.559 0.000 -0.691) 0.889 9.154 ( -0.711 0.000 0.358) 0.796 9.161 ( -0.909 0.000 -0.357) 0.976 9.442 ( 1.414 0.000 0.299) 1.445 9.448 ( 1.265 0.000 -0.314) 1.303 9.513 ( 0.878 0.000 0.162) 0.893 9.516 ( 0.783 0.000 -0.138) 0.795 9.582 ( 0.281 0.000 0.550) 0.617 9.594 ( -0.223 0.000 -0.465) 0.516 9.734 ( 0.439 0.000 0.035) 0.440 9.735 ( 0.405 0.000 -0.033) 0.406 9.803 ( 0.112 0.000 0.275) 0.297 9.806 ( 0.041 0.000 -0.038) 0.056 10.163 ( 3.145 0.000 -1.059) 3.318 10.218 ( -2.459 0.000 0.036) 2.459 10.218 ( -2.498 0.000 -0.039) 2.499 10.224 ( 0.609 0.000 -6.243) 6.273 10.451 ( 0.901 0.000 2.660) 2.808 10.484 ( 0.875 0.000 -1.079) 1.389 10.587 ( -2.032 0.000 2.026) 2.869 10.600 ( -0.635 0.000 0.009) 0.635 10.654 ( -0.143 0.000 0.078) 0.162 10.656 ( -0.179 0.000 -0.080) 0.196 10.668 ( -1.820 0.000 5.071) 5.388 10.724 ( 0.637 0.000 -0.811) 1.031 10.827 ( -2.518 0.000 5.196) 5.774 10.939 ( 1.319 0.000 -4.805) 4.983 10.993 ( -1.259 0.000 0.341) 1.304 11.034 ( -1.222 0.000 -3.179) 3.406 11.212 ( 0.874 0.000 0.089) 0.879 11.214 ( 0.829 0.000 -0.089) 0.834 11.418 ( 5.146 0.000 4.165) 6.621 11.488 ( 0.725 0.000 -1.892) 2.027 11.516 ( -0.902 0.000 0.532) 1.047 11.547 ( 0.339 0.000 -2.361) 2.385 11.623 ( 0.402 0.000 0.105) 0.415 11.636 ( 0.434 0.000 -0.913) 1.011 12.183 ( 0.068 0.000 0.168) 0.182 12.187 ( -0.009 0.000 -0.169) 0.169 12.289 ( -0.162 0.000 0.075) 0.178 12.291 ( -0.199 0.000 -0.074) 0.213 12.948 ( -5.107 0.000 1.196) 5.245 12.952 ( -5.022 0.000 0.451) 5.042 13.527 ( 0.284 0.000 0.087) 0.297 13.530 ( 0.321 0.000 -0.155) 0.356 13.567 ( 0.500 0.000 0.166) 0.527 13.570 ( 0.550 0.000 -0.165) 0.575 14.470 ( 0.089 0.000 0.042) 0.098 14.471 ( 0.067 0.000 -0.041) 0.078 14.568 ( -0.066 0.000 0.031) 0.073 14.568 ( -0.081 0.000 -0.032) 0.087 15.150 ( 0.323 0.000 1.557) 1.590 15.181 ( -0.424 0.000 -1.239) 1.310 16.656 ( 4.188 0.000 7.255) 8.377 16.804 ( 3.941 0.000 -5.555) 6.812 17.027 ( -0.068 0.000 0.094) 0.116 17.041 ( 0.421 0.000 -1.233) 1.302 17.222 ( -15.932 0.000 20.015) 25.582 17.526 ( -12.764 0.000 -10.591) 16.586 17.728 ( -0.707 0.000 2.474) 2.573 17.779 ( 0.017 0.000 -1.453) 1.453 17.829 ( -1.053 0.000 0.694) 1.261 17.844 ( -2.931 0.000 -0.219) 2.939 17.991 ( 0.740 0.000 0.602) 0.954 18.002 ( 0.437 0.000 -0.482) 0.651 18.102 ( -2.017 0.000 0.073) 2.019 18.104 ( -2.072 0.000 -0.075) 2.074 18.199 ( 0.760 0.000 3.564) 3.644 18.263 ( 0.306 0.000 -2.772) 2.789 18.405 ( 0.630 0.000 1.711) 1.823 18.452 ( -1.848 0.000 -2.335) 2.978 18.456 ( 0.978 0.000 0.060) 0.980 18.458 ( 0.933 0.000 -0.062) 0.935 18.609 ( 1.206 0.000 0.100) 1.211 18.611 ( 1.171 0.000 -0.098) 1.175 18.633 ( 4.837 0.000 8.715) 9.968 18.749 ( -2.462 0.000 -1.244) 2.758 18.808 ( -0.787 0.000 0.034) 0.788 18.809 ( -0.784 0.000 -0.033) 0.785 18.935 ( 11.251 0.000 2.007) 11.428 18.996 ( 1.905 0.000 0.010) 1.905 18.997 ( 1.908 0.000 -0.010) 1.908 19.055 ( -0.230 0.000 0.080) 0.244 19.057 ( -0.262 0.000 -0.079) 0.273 19.140 ( 20.152 0.000 -22.872) 30.483 19.307 ( -0.002 0.000 0.022) 0.022 19.308 ( -0.013 0.000 -0.022) 0.025 19.807 ( 0.007 0.000 4.764) 4.764 19.921 ( -1.290 0.000 -5.794) 5.936 20.038 ( -0.947 0.000 0.039) 0.948 20.039 ( -0.970 0.000 -0.039) 0.970 20.840 ( -5.137 0.000 8.384) 9.833 20.970 ( 0.373 0.000 -6.173) 6.184 21.376 ( -5.532 0.000 6.701) 8.690 21.475 ( -2.151 0.000 -2.980) 3.676 ======================= Grid point 37 (15/24) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 4.689 0.000 2.446) 5.289 0.472 ( 0.891 0.000 11.189) 11.224 0.509 ( -0.694 0.000 -2.529) 2.623 0.518 ( -4.015 0.000 9.576) 10.383 0.654 ( 9.292 0.000 -0.665) 9.316 0.733 ( 2.480 0.000 -4.161) 4.844 0.770 ( 1.289 0.000 1.605) 2.059 0.796 ( -1.209 0.000 -0.789) 1.444 0.841 ( 1.150 0.000 -4.554) 4.697 0.847 ( -0.097 0.000 -4.973) 4.974 0.954 ( 6.574 0.000 2.041) 6.884 1.002 ( 5.364 0.000 -2.483) 5.911 1.048 ( -0.522 0.000 4.049) 4.083 1.068 ( -3.836 0.000 2.718) 4.702 1.096 ( -4.058 0.000 1.819) 4.447 1.139 ( -4.847 0.000 -2.286) 5.360 1.200 ( 2.005 0.000 -5.908) 6.239 1.230 ( -0.759 0.000 -8.876) 8.908 1.308 ( 1.182 0.000 4.442) 4.596 1.345 ( -2.528 0.000 1.203) 2.800 1.391 ( 0.183 0.000 0.489) 0.522 1.403 ( -1.128 0.000 -0.534) 1.248 1.427 ( 0.619 0.000 0.860) 1.060 1.442 ( -0.968 0.000 -0.386) 1.042 1.508 ( 2.690 0.000 2.403) 3.607 1.547 ( -0.429 0.000 2.001) 2.047 1.578 ( 2.377 0.000 -1.826) 2.997 1.601 ( 0.770 0.000 -1.392) 1.591 1.615 ( 6.275 0.000 1.353) 6.419 1.655 ( 1.855 0.000 0.362) 1.890 1.655 ( 2.873 0.000 -1.592) 3.285 1.663 ( 1.070 0.000 -0.433) 1.155 1.689 ( 0.159 0.000 1.516) 1.525 1.716 ( 0.065 0.000 -0.925) 0.927 1.785 ( -0.758 0.000 1.410) 1.601 1.809 ( -3.590 0.000 -0.856) 3.691 1.926 ( -2.732 0.000 0.097) 2.733 1.928 ( -2.891 0.000 -0.021) 2.891 1.980 ( 0.321 0.000 2.469) 2.489 2.015 ( -2.674 0.000 -0.352) 2.697 2.142 ( -0.639 0.000 0.219) 0.676 2.162 ( -2.300 0.000 -1.435) 2.711 2.340 ( -0.284 0.000 1.046) 1.084 2.383 ( -4.263 0.000 -2.487) 4.935 2.402 ( 1.978 0.000 0.612) 2.071 2.412 ( 1.008 0.000 -0.336) 1.063 2.686 ( -3.508 0.000 3.356) 4.855 2.714 ( -5.658 0.000 1.236) 5.792 2.776 ( -0.274 0.000 -0.397) 0.482 2.794 ( -2.015 0.000 -2.139) 2.939 2.861 ( 1.124 0.000 1.905) 2.212 2.876 ( -0.535 0.000 0.488) 0.724 3.012 ( 1.650 0.000 2.113) 2.681 3.046 ( -1.234 0.000 -1.067) 1.631 3.117 ( 1.664 0.000 0.372) 1.705 3.123 ( 1.049 0.000 -0.139) 1.058 3.343 ( -0.272 0.000 0.298) 0.404 3.347 ( -0.589 0.000 -0.023) 0.589 3.355 ( -1.145 0.000 -0.073) 1.147 3.360 ( -1.669 0.000 -0.609) 1.777 3.524 ( 0.152 0.000 -0.179) 0.235 3.528 ( 0.874 0.000 0.096) 0.879 3.529 ( 0.731 0.000 -0.043) 0.733 3.531 ( -0.534 0.000 -0.729) 0.904 4.128 ( 0.055 0.000 -2.513) 2.513 4.130 ( -0.192 0.000 -2.455) 2.462 4.302 ( -0.652 0.000 0.133) 0.666 4.304 ( -0.919 0.000 -0.094) 0.924 4.345 ( 1.346 0.000 0.279) 1.374 4.353 ( 0.357 0.000 -0.370) 0.514 5.069 ( 1.497 0.000 -0.156) 1.505 5.073 ( 1.103 0.000 -0.511) 1.216 5.205 ( 0.593 0.000 0.251) 0.644 5.209 ( 0.191 0.000 -0.156) 0.247 5.333 ( -0.191 0.000 0.261) 0.324 5.338 ( -0.649 0.000 -0.170) 0.671 5.395 ( 0.691 0.000 0.076) 0.695 5.399 ( 0.301 0.000 -0.265) 0.401 5.430 ( 0.816 0.000 0.037) 0.817 5.435 ( 0.318 0.000 -0.378) 0.494 5.473 ( 3.457 0.000 4.433) 5.622 5.511 ( 0.284 0.000 2.135) 2.154 5.564 ( 1.551 0.000 0.041) 1.551 5.574 ( 1.420 0.000 -0.107) 1.424 5.759 ( 0.498 0.000 0.218) 0.544 5.762 ( 0.216 0.000 -0.046) 0.221 6.006 ( -0.574 0.000 0.249) 0.625 6.011 ( -1.039 0.000 -0.197) 1.058 6.184 ( 0.274 0.000 0.041) 0.277 6.185 ( 0.144 0.000 -0.080) 0.165 6.289 ( -0.328 0.000 0.028) 0.329 6.291 ( -0.521 0.000 -0.073) 0.526 6.617 ( 1.313 0.000 1.000) 1.650 6.649 ( -1.826 0.000 -1.976) 2.690 6.790 ( -0.026 0.000 0.528) 0.528 6.793 ( -0.369 0.000 0.410) 0.552 6.799 ( 3.554 0.000 -0.166) 3.558 6.806 ( 2.959 0.000 -0.713) 3.043 6.822 ( 0.365 0.000 -0.076) 0.373 6.832 ( -0.605 0.000 -0.816) 1.016 6.848 ( -0.866 0.000 2.369) 2.522 6.903 ( -4.474 0.000 -2.823) 5.290 7.366 ( 0.094 0.000 0.283) 0.298 7.375 ( -0.771 0.000 -0.518) 0.929 7.415 ( -1.118 0.000 0.363) 1.176 7.426 ( -2.176 0.000 -0.700) 2.286 7.592 ( 0.829 0.000 0.385) 0.914 7.601 ( -0.145 0.000 -0.611) 0.628 7.658 ( 0.242 0.000 0.611) 0.657 7.665 ( -0.489 0.000 -0.140) 0.509 7.696 ( -0.049 0.000 0.452) 0.455 7.703 ( -0.780 0.000 -0.201) 0.806 7.953 ( 1.443 0.000 0.524) 1.535 7.962 ( 0.586 0.000 -0.256) 0.640 8.020 ( 0.917 0.000 0.490) 1.040 8.030 ( 0.097 0.000 -0.358) 0.371 8.344 ( 0.358 0.000 0.173) 0.397 8.348 ( -0.061 0.000 -0.213) 0.222 8.731 ( 0.173 0.000 1.316) 1.327 8.752 ( -1.920 0.000 -0.549) 1.997 8.812 ( 0.138 0.000 0.126) 0.186 8.817 ( -0.362 0.000 -0.164) 0.398 9.142 ( -0.327 0.000 0.124) 0.350 9.145 ( -0.613 0.000 -0.140) 0.629 9.469 ( 1.054 0.000 0.127) 1.061 9.471 ( 0.800 0.000 -0.111) 0.808 9.528 ( 0.509 0.000 0.051) 0.511 9.529 ( 0.394 0.000 -0.051) 0.397 9.587 ( 0.233 0.000 0.156) 0.280 9.591 ( -0.163 0.000 -0.213) 0.268 9.743 ( 0.327 0.000 0.008) 0.327 9.743 ( 0.308 0.000 -0.005) 0.308 9.802 ( -0.004 0.000 -0.069) 0.069 9.804 ( -0.193 0.000 -0.204) 0.281 10.173 ( -1.619 0.000 0.004) 1.619 10.173 ( -1.640 0.000 -0.010) 1.640 10.202 ( 1.359 0.000 -3.020) 3.312 10.222 ( -0.746 0.000 -4.831) 4.888 10.473 ( 1.312 0.000 2.177) 2.542 10.492 ( -0.416 0.000 0.248) 0.485 10.580 ( 1.997 0.000 2.833) 3.466 10.603 ( 0.856 0.000 -0.184) 0.875 10.637 ( -1.725 0.000 2.553) 3.081 10.652 ( -0.065 0.000 0.032) 0.072 10.652 ( -0.132 0.000 -0.031) 0.135 10.660 ( -4.931 0.000 0.886) 5.010 10.863 ( 4.019 0.000 4.124) 5.758 10.936 ( -3.241 0.000 0.247) 3.250 10.972 ( 1.424 0.000 -2.789) 3.131 11.006 ( -1.689 0.000 -2.733) 3.213 11.227 ( 0.535 0.000 0.034) 0.536 11.228 ( 0.462 0.000 -0.034) 0.463 11.471 ( 0.681 0.000 -0.031) 0.681 11.483 ( -0.831 0.000 -1.133) 1.404 11.533 ( 2.352 0.000 2.356) 3.329 11.558 ( -0.043 0.000 0.542) 0.544 11.634 ( 0.636 0.000 -1.218) 1.374 11.641 ( -0.006 0.000 -1.391) 1.391 12.185 ( 0.101 0.000 0.085) 0.132 12.186 ( -0.042 0.000 -0.049) 0.065 12.287 ( -0.081 0.000 0.029) 0.086 12.287 ( -0.142 0.000 -0.028) 0.145 12.874 ( -2.197 0.000 0.085) 2.199 12.876 ( -2.376 0.000 -0.064) 2.377 13.536 ( 0.518 0.000 0.209) 0.558 13.539 ( 0.351 0.000 -0.008) 0.352 13.569 ( -0.057 0.000 0.121) 0.134 13.571 ( -0.238 0.000 -0.114) 0.264 14.472 ( 0.064 0.000 0.015) 0.065 14.472 ( 0.030 0.000 -0.016) 0.034 14.567 ( -0.031 0.000 0.013) 0.033 14.567 ( -0.057 0.000 -0.013) 0.059 15.159 ( 0.573 0.000 0.818) 0.999 15.171 ( -0.604 0.000 -0.238) 0.649 16.742 ( 4.395 0.000 8.826) 9.860 16.813 ( -2.802 0.000 6.348) 6.939 17.023 ( -0.197 0.000 2.222) 2.230 17.027 ( -0.446 0.000 1.194) 1.275 17.175 ( 5.502 0.000 -6.282) 8.351 17.316 ( -9.066 0.000 -13.816) 16.525 17.729 ( 1.451 0.000 5.131) 5.332 17.779 ( -3.340 0.000 3.419) 4.779 17.798 ( 1.381 0.000 -1.918) 2.364 17.822 ( -0.942 0.000 -1.434) 1.716 18.007 ( 0.752 0.000 0.174) 0.772 18.011 ( 0.322 0.000 -0.209) 0.384 18.069 ( -1.079 0.000 0.023) 1.079 18.070 ( -1.132 0.000 -0.024) 1.132 18.226 ( 1.544 0.000 2.361) 2.821 18.254 ( -1.299 0.000 0.151) 1.308 18.405 ( 0.327 0.000 -1.135) 1.181 18.421 ( -1.326 0.000 -2.070) 2.459 18.472 ( 0.477 0.000 0.019) 0.477 18.472 ( 0.432 0.000 -0.020) 0.433 18.633 ( 0.949 0.000 0.047) 0.951 18.634 ( 0.861 0.000 -0.043) 0.862 18.661 ( 0.527 0.000 3.365) 3.406 18.692 ( -2.777 0.000 0.453) 2.814 18.792 ( -0.658 0.000 0.021) 0.658 18.793 ( -0.695 0.000 -0.022) 0.695 19.028 ( 0.920 0.000 0.006) 0.920 19.028 ( 0.904 0.000 -0.011) 0.904 19.054 ( 0.182 0.000 0.038) 0.186 19.055 ( 0.108 0.000 -0.033) 0.113 19.175 ( 11.103 0.000 3.840) 11.749 19.298 ( -0.834 0.000 -7.518) 7.564 19.307 ( 0.005 0.000 0.008) 0.010 19.308 ( -0.013 0.000 -0.008) 0.016 19.832 ( 2.574 0.000 -1.149) 2.819 19.885 ( -2.554 0.000 -5.063) 5.671 20.021 ( -0.610 0.000 0.014) 0.610 20.021 ( -0.641 0.000 -0.014) 0.641 20.799 ( 1.297 0.000 2.740) 3.032 20.886 ( -7.005 0.000 -6.549) 9.590 21.372 ( 3.587 0.000 7.386) 8.210 21.436 ( -2.594 0.000 0.753) 2.701 ======================= Grid point 40 (16/24) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 12.027 7.145) 13.990 0.493 ( 0.000 5.604 10.457) 11.864 0.549 ( 0.000 7.096 -6.492) 9.617 0.656 ( 0.000 3.768 -6.647) 7.641 0.704 ( 0.000 4.399 5.978) 7.422 0.776 ( 0.000 -0.930 -0.381) 1.005 0.815 ( 0.000 17.238 2.545) 17.425 0.869 ( 0.000 11.225 -2.848) 11.580 0.880 ( 0.000 4.372 -0.813) 4.447 0.881 ( 0.000 6.451 -0.803) 6.501 0.932 ( 0.000 3.806 -0.515) 3.841 0.935 ( 0.000 3.031 -0.587) 3.088 1.060 ( 0.000 1.402 5.147) 5.335 1.186 ( 0.000 -1.591 -6.239) 6.438 1.190 ( 0.000 -0.769 2.584) 2.695 1.212 ( 0.000 0.642 -1.083) 1.259 1.248 ( 0.000 1.449 1.720) 2.250 1.277 ( 0.000 1.018 -0.833) 1.315 1.336 ( 0.000 0.769 1.293) 1.504 1.354 ( 0.000 -0.714 -0.440) 0.838 1.385 ( 0.000 4.448 3.657) 5.759 1.424 ( 0.000 1.110 2.334) 2.585 1.445 ( 0.000 1.603 -0.289) 1.629 1.474 ( 0.000 -0.599 -1.606) 1.714 1.517 ( 0.000 1.075 1.082) 1.525 1.522 ( 0.000 -2.544 1.494) 2.951 1.552 ( 0.000 -1.298 -0.301) 1.332 1.582 ( 0.000 -0.516 -2.255) 2.313 1.611 ( 0.000 0.236 1.103) 1.128 1.645 ( 0.000 -0.428 0.028) 0.429 1.647 ( 0.000 1.416 0.798) 1.626 1.696 ( 0.000 1.537 -5.293) 5.512 1.730 ( 0.000 0.872 1.713) 1.922 1.819 ( 0.000 -1.010 -5.251) 5.348 1.865 ( 0.000 30.606 2.101) 30.678 1.906 ( 0.000 27.253 -1.969) 27.324 2.000 ( 0.000 -0.069 -0.001) 0.069 2.023 ( 0.000 -3.203 -4.133) 5.229 2.064 ( 0.000 -1.975 4.232) 4.670 2.148 ( 0.000 -4.386 -2.891) 5.253 2.185 ( 0.000 -7.221 -1.385) 7.353 2.195 ( 0.000 5.940 -2.647) 6.503 2.224 ( 0.000 -1.202 1.082) 1.617 2.306 ( 0.000 6.650 -6.519) 9.312 2.396 ( 0.000 0.674 1.283) 1.449 2.418 ( 0.000 6.769 -2.793) 7.322 2.538 ( 0.000 -13.118 5.641) 14.280 2.588 ( 0.000 -14.465 -0.477) 14.472 2.807 ( 0.000 -1.331 2.091) 2.479 2.853 ( 0.000 -1.463 -1.794) 2.315 2.952 ( 0.000 -3.697 1.740) 4.086 2.957 ( 0.000 -3.457 2.285) 4.144 3.159 ( 0.000 10.395 1.202) 10.465 3.168 ( 0.000 11.072 1.045) 11.121 3.225 ( 0.000 11.664 2.251) 11.879 3.296 ( 0.000 9.749 -3.846) 10.480 3.367 ( 0.000 -0.978 0.569) 1.132 3.370 ( 0.000 -2.077 0.207) 2.088 3.462 ( 0.000 4.455 0.454) 4.478 3.471 ( 0.000 4.659 -0.331) 4.671 3.540 ( 0.000 10.232 3.526) 10.822 3.605 ( 0.000 5.712 -2.041) 6.066 3.720 ( 0.000 11.112 0.274) 11.115 3.722 ( 0.000 11.250 -0.066) 11.250 4.108 ( 0.000 -4.066 2.294) 4.669 4.162 ( 0.000 -1.934 1.756) 2.612 4.167 ( 0.000 -6.724 -3.108) 7.407 4.196 ( 0.000 -2.544 -1.034) 2.746 4.371 ( 0.000 2.409 0.115) 2.411 4.374 ( 0.000 2.049 -0.203) 2.059 4.850 ( 0.000 -11.258 0.084) 11.259 4.853 ( 0.000 -11.660 -0.160) 11.661 5.138 ( 0.000 -4.277 0.265) 4.285 5.143 ( 0.000 -4.622 -0.267) 4.630 5.157 ( 0.000 -11.862 0.357) 11.867 5.162 ( 0.000 -11.521 -0.208) 11.523 5.211 ( 0.000 -14.422 2.048) 14.566 5.258 ( 0.000 -14.917 -2.365) 15.103 5.409 ( 0.000 3.171 0.490) 3.209 5.419 ( 0.000 3.081 -0.479) 3.118 5.491 ( 0.000 5.341 0.955) 5.426 5.511 ( 0.000 5.024 -0.702) 5.073 5.518 ( 0.000 1.333 0.780) 1.544 5.535 ( 0.000 0.384 -0.517) 0.644 5.878 ( 0.000 8.851 0.183) 8.853 5.883 ( 0.000 9.098 -0.370) 9.106 6.110 ( 0.000 1.340 0.417) 1.404 6.112 ( 0.000 0.890 0.512) 1.027 6.118 ( 0.000 4.848 -0.419) 4.866 6.124 ( 0.000 -2.412 -0.670) 2.503 6.211 ( 0.000 -5.626 0.479) 5.646 6.218 ( 0.000 -5.894 -0.316) 5.903 6.531 ( 0.000 -5.865 3.864) 7.023 6.608 ( 0.000 -6.505 -3.469) 7.372 6.677 ( 0.000 -0.484 0.592) 0.765 6.688 ( 0.000 -3.065 -0.489) 3.104 6.808 ( 0.000 -2.340 2.491) 3.417 6.840 ( 0.000 1.243 0.026) 1.243 6.857 ( 0.000 1.258 -0.646) 1.414 6.877 ( 0.000 -5.212 -2.892) 5.961 6.991 ( 0.000 12.034 1.399) 12.115 7.026 ( 0.000 10.558 -2.035) 10.752 7.383 ( 0.000 0.089 0.824) 0.829 7.393 ( 0.000 -1.458 -0.089) 1.461 7.474 ( 0.000 -1.917 0.623) 2.015 7.491 ( 0.000 -2.356 -1.037) 2.574 7.571 ( 0.000 -0.374 1.000) 1.068 7.588 ( 0.000 -2.674 -0.388) 2.702 7.617 ( 0.000 -5.729 -0.007) 5.729 7.626 ( 0.000 -7.885 -0.545) 7.904 7.669 ( 0.000 0.410 1.406) 1.465 7.690 ( 0.000 0.774 -0.761) 1.086 7.852 ( 0.000 1.659 1.890) 2.515 7.891 ( 0.000 1.393 -1.848) 2.314 8.023 ( 0.000 0.970 0.319) 1.021 8.026 ( 0.000 1.550 0.007) 1.550 8.604 ( 0.000 18.072 0.593) 18.082 8.617 ( 0.000 18.537 -0.682) 18.550 8.777 ( 0.000 2.126 2.007) 2.924 8.803 ( 0.000 -0.076 -0.837) 0.841 8.807 ( 0.000 0.685 1.800) 1.926 8.857 ( 0.000 2.772 -2.627) 3.819 9.186 ( 0.000 1.201 0.316) 1.242 9.193 ( 0.000 2.560 -0.358) 2.585 9.403 ( 0.000 -5.485 0.550) 5.513 9.417 ( 0.000 -4.980 -0.757) 5.037 9.519 ( 0.000 5.710 3.020) 6.459 9.632 ( 0.000 8.935 -8.796) 12.538 9.689 ( 0.000 5.852 1.036) 5.943 9.722 ( 0.000 7.314 -3.210) 7.988 9.751 ( 0.000 -2.660 0.413) 2.692 9.759 ( 0.000 -1.942 -0.366) 1.976 9.918 ( 0.000 15.335 0.338) 15.339 9.944 ( 0.000 15.128 -3.818) 15.603 10.019 ( 0.000 -3.355 1.437) 3.649 10.046 ( 0.000 -5.381 -1.182) 5.509 10.361 ( 0.000 -2.112 -0.241) 2.126 10.372 ( 0.000 0.526 -1.553) 1.640 10.450 ( 0.000 0.887 1.540) 1.778 10.480 ( 0.000 1.215 -1.271) 1.758 10.497 ( 0.000 -8.136 0.448) 8.148 10.513 ( 0.000 -6.508 -0.845) 6.563 10.565 ( 0.000 -2.216 2.259) 3.164 10.584 ( 0.000 2.005 1.569) 2.547 10.731 ( 0.000 -8.351 6.184) 10.391 10.818 ( 0.000 -3.552 -3.148) 4.747 10.818 ( 0.000 6.551 0.838) 6.604 10.839 ( 0.000 3.894 -1.620) 4.217 10.852 ( 0.000 -6.932 5.423) 8.801 10.918 ( 0.000 -7.034 -1.489) 7.190 11.360 ( 0.000 2.568 7.459) 7.888 11.461 ( 0.000 -1.673 -0.813) 1.860 11.492 ( 0.000 13.473 -0.974) 13.508 11.500 ( 0.000 -0.624 -0.517) 0.810 11.607 ( 0.000 9.932 -1.744) 10.084 11.611 ( 0.000 4.310 -0.530) 4.342 11.639 ( 0.000 4.729 -0.322) 4.740 11.662 ( 0.000 20.022 -4.754) 20.578 12.216 ( 0.000 3.659 0.253) 3.667 12.222 ( 0.000 3.879 -0.328) 3.893 12.353 ( 0.000 5.251 -0.033) 5.251 12.354 ( 0.000 5.486 -0.141) 5.488 12.936 ( 0.000 -5.684 1.443) 5.864 12.942 ( 0.000 -5.138 0.378) 5.151 13.445 ( 0.000 -9.840 0.210) 9.843 13.450 ( 0.000 -9.520 -0.210) 9.523 13.559 ( 0.000 2.870 0.254) 2.881 13.564 ( 0.000 3.130 -0.280) 3.143 14.389 ( 0.000 -7.136 0.263) 7.141 14.394 ( 0.000 -6.840 -0.197) 6.843 14.591 ( 0.000 1.860 0.061) 1.861 14.593 ( 0.000 1.891 -0.060) 1.892 15.252 ( 0.000 9.035 1.645) 9.184 15.285 ( 0.000 8.885 -1.584) 9.026 16.555 ( 0.000 -5.394 4.913) 7.296 16.664 ( 0.000 -7.404 -5.508) 9.228 17.004 ( 0.000 -1.944 -0.168) 1.951 17.011 ( 0.000 -2.088 -1.025) 2.326 17.203 ( 0.000 -20.424 21.037) 29.321 17.371 ( 0.000 -29.946 1.650) 29.992 17.407 ( 0.000 -36.011 0.183) 36.011 17.492 ( 0.000 -20.697 -7.052) 21.865 17.610 ( 0.000 -14.310 0.132) 14.311 17.632 ( 0.000 -9.330 -1.558) 9.459 17.768 ( 0.000 -2.476 2.170) 3.293 17.814 ( 0.000 -0.825 -2.095) 2.251 18.076 ( 0.000 -4.927 2.189) 5.391 18.122 ( 0.000 -5.964 -2.070) 6.313 18.198 ( 0.000 -8.074 0.130) 8.075 18.209 ( 0.000 -9.170 -1.170) 9.244 18.321 ( 0.000 1.516 0.657) 1.652 18.336 ( 0.000 5.728 -0.864) 5.793 18.366 ( 0.000 -6.710 3.556) 7.594 18.437 ( 0.000 -8.236 -3.877) 9.103 18.473 ( 0.000 3.726 1.688) 4.090 18.512 ( 0.000 -0.979 -1.850) 2.093 18.693 ( 0.000 2.518 3.456) 4.276 18.749 ( 0.000 4.985 -2.323) 5.500 18.844 ( 0.000 -0.355 0.588) 0.687 18.848 ( 0.000 2.760 0.023) 2.760 18.890 ( 0.000 -10.623 2.197) 10.848 18.923 ( 0.000 -12.237 -0.359) 12.243 19.173 ( 0.000 10.117 0.815) 10.150 19.185 ( 0.000 10.924 -0.467) 10.934 19.224 ( 0.000 17.482 3.971) 17.928 19.284 ( 0.000 12.883 -0.734) 12.904 19.341 ( 0.000 11.773 1.704) 11.896 19.526 ( 0.000 12.705 -19.032) 22.883 20.242 ( 0.000 24.105 -1.414) 24.146 20.257 ( 0.000 28.061 -5.398) 28.576 20.360 ( 0.000 23.337 0.501) 23.343 20.370 ( 0.000 24.019 -0.896) 24.036 20.848 ( 0.000 -6.743 0.774) 6.787 20.864 ( 0.000 -7.076 -0.761) 7.116 21.157 ( 0.000 -19.302 9.594) 21.555 21.233 ( 0.000 -18.666 -0.811) 18.683 ======================= Grid point 41 (17/24) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 5.045 6.699 5.967) 10.293 0.522 ( 0.558 5.701 4.080) 7.033 0.593 ( 5.563 4.002 -0.127) 6.854 0.650 ( -1.599 5.477 2.051) 6.063 0.727 ( 2.117 4.953 -1.740) 5.660 0.774 ( -0.321 0.622 -2.516) 2.611 0.792 ( -2.231 10.278 1.468) 10.620 0.837 ( -2.085 4.097 -2.639) 5.300 0.876 ( 0.257 6.069 -0.245) 6.079 0.887 ( 0.040 5.074 -0.747) 5.129 0.966 ( 4.243 5.006 1.739) 6.789 1.003 ( 6.030 6.969 -1.803) 9.390 1.075 ( 1.949 3.605 4.088) 5.789 1.154 ( -3.750 -0.522 -2.255) 4.407 1.186 ( 0.338 0.718 0.930) 1.223 1.217 ( 0.584 -0.003 -2.671) 2.734 1.283 ( 1.564 2.961 -0.641) 3.409 1.285 ( 0.818 1.831 -0.238) 2.020 1.353 ( 0.331 1.696 1.709) 2.431 1.371 ( 1.816 -1.662 0.466) 2.505 1.403 ( -1.275 -0.513 2.222) 2.613 1.415 ( 2.689 0.273 2.448) 3.647 1.441 ( -0.195 0.444 -0.732) 0.878 1.480 ( -1.584 0.180 -1.169) 1.977 1.504 ( -0.831 -0.661 2.077) 2.333 1.515 ( 2.142 -0.792 0.670) 2.380 1.554 ( 0.698 0.925 -1.275) 1.723 1.568 ( -1.052 0.637 -1.179) 1.704 1.604 ( -0.165 3.879 0.199) 3.888 1.621 ( -0.762 2.375 -0.129) 2.498 1.655 ( 0.933 -0.142 0.420) 1.033 1.706 ( 0.409 2.413 -4.206) 4.866 1.751 ( 0.644 -0.877 3.541) 3.704 1.832 ( -0.345 -1.650 -3.954) 4.298 1.895 ( 2.569 26.824 1.443) 26.986 1.926 ( 1.597 24.250 -1.672) 24.360 1.975 ( -1.984 0.253 0.046) 2.000 1.995 ( -2.106 -1.478 -1.356) 2.908 2.064 ( -3.072 1.117 0.953) 3.405 2.115 ( -3.943 -2.580 -2.644) 5.403 2.158 ( -3.119 2.765 1.212) 4.341 2.175 ( -0.609 3.677 -0.489) 3.759 2.240 ( 1.192 -4.273 -1.782) 4.780 2.275 ( -2.843 1.916 -5.401) 6.397 2.389 ( -0.961 0.370 0.782) 1.292 2.407 ( 1.182 -0.570 -0.982) 1.639 2.512 ( -2.043 -12.389 4.961) 13.500 2.564 ( -2.446 -13.877 -0.807) 14.114 2.777 ( -3.647 -4.534 4.783) 7.533 2.810 ( -0.772 -2.754 0.090) 2.861 2.885 ( -3.461 0.046 0.798) 3.552 2.901 ( -4.499 -2.403 0.018) 5.100 3.202 ( 0.994 12.033 2.789) 12.392 3.216 ( 3.915 10.711 1.958) 11.571 3.284 ( -0.253 11.206 -2.317) 11.446 3.291 ( 4.090 11.063 -2.305) 12.018 3.368 ( 0.177 1.128 0.009) 1.142 3.369 ( -0.104 -0.662 0.105) 0.678 3.439 ( -1.674 5.343 1.133) 5.713 3.459 ( -2.173 6.105 -0.635) 6.511 3.514 ( -1.374 7.393 2.388) 7.890 3.561 ( -3.304 8.116 -1.582) 8.905 3.723 ( 0.536 11.331 0.064) 11.344 3.729 ( 0.430 11.325 -0.372) 11.339 4.084 ( -0.180 -3.108 -0.414) 3.140 4.112 ( -2.331 -3.826 -2.583) 5.172 4.225 ( 2.991 -3.943 1.130) 5.076 4.244 ( 1.637 -4.395 -0.400) 4.707 4.373 ( 0.005 2.172 -0.062) 2.173 4.374 ( 0.353 2.093 -0.170) 2.129 4.871 ( 1.921 -11.487 0.096) 11.647 4.874 ( 1.901 -11.836 -0.199) 11.990 5.132 ( -0.594 -5.562 0.053) 5.594 5.134 ( -0.576 -6.429 -0.092) 6.455 5.161 ( 0.458 -11.022 0.573) 11.047 5.165 ( 0.659 -10.947 0.008) 10.967 5.238 ( 1.873 -14.611 1.759) 14.835 5.270 ( 0.767 -15.497 -0.919) 15.543 5.417 ( 0.676 2.969 0.374) 3.067 5.425 ( 0.454 2.950 -0.404) 3.012 5.505 ( 1.416 4.658 0.784) 4.931 5.523 ( 1.035 4.811 -0.860) 4.995 5.544 ( 2.406 0.562 0.795) 2.596 5.558 ( 2.188 0.349 -0.545) 2.282 5.884 ( 0.582 8.646 0.517) 8.681 5.892 ( 0.690 8.890 -0.207) 8.919 6.109 ( -0.239 6.220 0.398) 6.237 6.114 ( -0.013 0.254 0.360) 0.441 6.117 ( 0.013 2.670 -0.201) 2.677 6.126 ( 0.139 -2.808 -0.615) 2.878 6.193 ( -1.261 -5.618 0.442) 5.775 6.202 ( -1.388 -5.763 -0.350) 5.938 6.538 ( 0.680 -5.505 3.092) 6.350 6.602 ( -0.664 -6.074 -3.013) 6.812 6.700 ( 2.148 -2.088 0.445) 3.028 6.707 ( 2.060 -2.586 -0.257) 3.316 6.805 ( -0.366 -2.029 1.867) 2.782 6.836 ( -0.642 0.038 -0.648) 0.913 6.847 ( -0.548 0.158 0.219) 0.610 6.877 ( -0.394 -3.354 -2.607) 4.266 6.987 ( -0.378 11.702 0.995) 11.751 7.012 ( -1.292 10.531 -1.509) 10.717 7.380 ( -0.255 0.156 0.387) 0.489 7.384 ( -0.721 -1.160 0.077) 1.368 7.444 ( -2.670 -1.437 0.711) 3.115 7.461 ( -2.953 -1.904 -0.864) 3.618 7.573 ( 0.299 -1.271 0.562) 1.422 7.586 ( -0.106 -2.734 -0.450) 2.773 7.623 ( 0.654 -4.791 0.127) 4.837 7.633 ( 0.691 -6.046 -0.580) 6.113 7.664 ( -0.480 0.125 1.175) 1.276 7.682 ( -0.713 0.638 -0.628) 1.145 7.885 ( 2.942 0.698 1.461) 3.358 7.914 ( 2.102 0.566 -1.278) 2.524 8.018 ( -0.736 1.642 0.165) 1.807 8.020 ( -0.471 0.828 0.058) 0.955 8.596 ( -0.446 18.098 0.528) 18.111 8.608 ( -0.699 18.265 -0.598) 18.289 8.772 ( -0.431 2.555 2.061) 3.311 8.800 ( -0.246 -0.362 -0.093) 0.448 8.802 ( -0.540 0.728 0.472) 1.022 8.838 ( -1.813 2.554 -2.133) 3.789 9.179 ( -0.604 1.358 0.388) 1.536 9.186 ( -0.683 2.436 -0.225) 2.540 9.410 ( 0.636 -5.622 0.434) 5.675 9.421 ( 0.341 -5.203 -0.580) 5.247 9.526 ( 0.793 5.477 2.257) 5.977 9.596 ( -2.604 8.957 -4.671) 10.432 9.694 ( 0.404 5.514 0.344) 5.540 9.706 ( -0.525 5.561 -0.590) 5.616 9.746 ( -0.462 -2.423 0.211) 2.476 9.753 ( -0.622 -2.059 -0.347) 2.179 9.922 ( 0.432 15.393 0.293) 15.402 9.931 ( -0.189 15.438 -0.506) 15.448 10.063 ( 1.966 -5.194 -0.753) 5.605 10.078 ( 2.557 -3.534 -3.070) 5.334 10.346 ( -2.119 2.286 0.338) 3.135 10.351 ( -1.791 2.010 -0.790) 2.806 10.433 ( -0.690 -5.032 1.189) 5.216 10.453 ( -1.741 -4.146 -0.791) 4.566 10.499 ( 0.466 -4.920 1.293) 5.109 10.524 ( 1.060 -2.580 -0.430) 2.822 10.578 ( 0.261 0.237 2.046) 2.076 10.587 ( 0.695 -2.131 0.533) 2.304 10.705 ( -1.728 -1.911 3.481) 4.331 10.752 ( -4.062 -1.366 0.570) 4.323 10.831 ( 1.283 2.794 1.141) 3.280 10.866 ( 1.431 -5.643 -2.045) 6.170 10.915 ( 2.352 -1.492 -0.128) 2.788 10.932 ( 1.473 -5.096 -1.098) 5.417 11.407 ( 3.746 1.794 4.492) 6.118 11.465 ( 0.210 -2.479 -0.740) 2.595 11.492 ( 0.189 5.185 0.301) 5.197 11.506 ( 0.454 8.587 -0.299) 8.604 11.592 ( -0.916 12.705 -0.137) 12.738 11.624 ( -0.710 3.529 1.008) 3.738 11.626 ( 0.474 12.585 -3.206) 12.996 11.657 ( -0.107 10.003 -2.770) 10.380 12.218 ( 0.202 3.804 0.214) 3.815 12.223 ( 0.096 3.976 -0.257) 3.985 12.353 ( 0.004 5.449 0.024) 5.449 12.354 ( 0.017 5.658 -0.077) 5.659 12.901 ( -2.979 -3.687 0.821) 4.811 12.905 ( -3.243 -3.825 0.156) 5.017 13.445 ( -0.033 -10.053 0.271) 10.057 13.450 ( 0.003 -9.828 -0.221) 9.831 13.563 ( 0.294 2.490 0.134) 2.510 13.566 ( 0.054 2.783 -0.110) 2.786 14.390 ( 0.032 -7.198 0.226) 7.202 14.394 ( -0.059 -6.936 -0.153) 6.938 14.592 ( 0.021 1.985 -0.029) 1.985 14.593 ( 0.033 2.009 -0.050) 2.010 15.256 ( 0.423 9.088 1.407) 9.206 15.283 ( -0.216 8.970 -1.234) 9.057 16.594 ( 3.612 -5.965 5.557) 8.917 16.700 ( 2.389 -9.015 -3.339) 9.906 17.003 ( -0.188 -2.047 0.338) 2.084 17.015 ( -0.359 -2.333 0.443) 2.401 17.094 ( -3.474 -8.171 11.169) 14.268 17.321 ( -5.869 -20.461 -8.498) 22.920 17.448 ( 2.381 -33.153 3.265) 33.399 17.500 ( 0.186 -27.290 -2.643) 27.419 17.631 ( 1.150 -14.152 1.284) 14.256 17.640 ( -0.028 -12.834 0.368) 12.840 17.789 ( 1.776 -2.582 1.162) 3.343 17.821 ( 0.703 -1.275 -1.781) 2.301 18.106 ( 2.268 -5.492 1.494) 6.127 18.139 ( 1.238 -7.328 -1.760) 7.637 18.222 ( 2.757 -10.596 1.817) 11.099 18.259 ( 2.262 -9.992 -2.023) 10.442 18.317 ( -0.786 3.828 0.022) 3.908 18.323 ( -1.105 5.610 -0.475) 5.737 18.373 ( 0.779 -7.612 3.524) 8.425 18.418 ( -3.064 2.816 -0.707) 4.221 18.481 ( 2.044 -4.093 -0.432) 4.595 18.512 ( 1.825 -7.992 -2.392) 8.540 18.695 ( 0.132 3.749 2.727) 4.638 18.739 ( -0.760 5.088 -1.759) 5.437 18.848 ( 0.286 1.458 0.298) 1.515 18.853 ( 0.281 3.165 -0.176) 3.182 18.898 ( 1.152 -12.826 2.650) 13.148 18.942 ( 2.085 -12.183 -1.344) 12.433 19.163 ( -4.458 11.567 2.230) 12.596 19.175 ( -0.213 10.811 0.529) 10.826 19.189 ( -0.387 10.862 1.044) 10.919 19.262 ( -2.676 10.281 -2.621) 10.942 19.332 ( -0.806 11.374 0.498) 11.414 19.399 ( -8.661 10.494 -8.425) 16.004 20.238 ( 0.279 26.069 0.130) 26.071 20.264 ( 0.131 27.293 -1.871) 27.357 20.375 ( 1.759 22.488 -0.982) 22.578 20.400 ( 1.528 22.779 -3.100) 23.040 20.768 ( -4.661 -5.705 7.111) 10.240 20.882 ( -0.648 -8.077 -5.606) 9.854 21.188 ( -1.727 -15.069 4.897) 15.938 21.243 ( 4.744 -15.541 -0.469) 16.255 ======================= Grid point 42 (18/24) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 2.075 6.459 6.051) 9.090 0.584 ( 7.314 0.063 3.003) 7.907 0.595 ( -2.451 6.485 5.290) 8.721 0.680 ( 1.061 -0.859 -1.770) 2.235 0.729 ( -1.224 5.800 -0.008) 5.928 0.752 ( -2.236 4.571 1.512) 5.308 0.789 ( 1.368 4.525 -5.263) 7.074 0.807 ( -0.814 2.782 -3.641) 4.654 0.880 ( -0.013 3.088 -1.338) 3.365 0.885 ( 0.195 3.692 -2.263) 4.335 1.036 ( 1.178 0.010 2.565) 2.822 1.063 ( -2.829 -0.346 1.219) 3.100 1.128 ( 5.933 7.066 -0.318) 9.232 1.153 ( 4.626 5.320 -2.457) 7.466 1.230 ( 1.731 4.167 -1.639) 4.800 1.232 ( 2.839 3.298 -0.701) 4.408 1.272 ( -2.059 3.203 -0.033) 3.807 1.292 ( -0.933 3.609 -1.784) 4.132 1.345 ( -0.706 2.635 2.887) 3.972 1.367 ( -2.680 2.514 2.690) 4.554 1.398 ( 1.031 -1.549 -1.020) 2.122 1.419 ( 0.099 1.013 -0.020) 1.018 1.437 ( -2.436 -0.295 -0.001) 2.454 1.446 ( -2.224 0.817 0.866) 2.523 1.516 ( 1.966 -4.171 3.586) 5.841 1.531 ( -0.019 -2.209 2.206) 3.122 1.587 ( 2.501 2.888 -2.120) 4.369 1.608 ( 2.013 -0.665 -2.683) 3.419 1.621 ( 1.608 2.461 -0.045) 2.940 1.629 ( 1.843 2.968 -0.564) 3.539 1.670 ( 1.029 1.522 1.937) 2.670 1.708 ( -0.592 2.802 -1.282) 3.138 1.746 ( -0.123 -0.692 2.132) 2.245 1.786 ( -3.721 -0.471 -1.530) 4.051 1.924 ( -0.502 10.884 0.518) 10.907 1.935 ( -2.193 4.219 -0.612) 4.794 1.941 ( 0.480 8.318 0.085) 8.333 1.964 ( -0.714 0.227 -1.448) 1.631 1.995 ( -1.459 17.358 -0.148) 17.420 2.029 ( -3.898 11.429 -2.225) 12.278 2.101 ( -1.495 -1.358 1.997) 2.840 2.125 ( -3.390 2.056 0.049) 3.965 2.256 ( 0.957 -3.856 -0.825) 4.058 2.265 ( 0.194 -5.491 -1.471) 5.688 2.403 ( 1.571 -1.384 2.161) 3.009 2.422 ( -0.220 -0.555 1.128) 1.277 2.498 ( 0.887 -10.481 1.146) 10.581 2.523 ( -1.613 -10.502 -1.351) 10.710 2.742 ( 0.004 -6.195 2.404) 6.645 2.781 ( -3.339 -5.555 -1.330) 6.617 2.835 ( -0.678 1.193 0.355) 1.417 2.843 ( -1.346 0.855 -0.383) 1.640 3.222 ( 1.139 12.360 0.855) 12.442 3.239 ( -0.606 11.438 -0.688) 11.475 3.311 ( 2.239 10.436 1.317) 10.754 3.332 ( 0.953 10.675 -0.467) 10.727 3.356 ( -1.590 2.369 0.328) 2.872 3.363 ( -1.278 5.204 -0.282) 5.366 3.428 ( 0.864 8.313 1.021) 8.419 3.434 ( 0.329 8.312 0.414) 8.329 3.494 ( -0.851 3.548 0.135) 3.652 3.507 ( -2.261 5.645 -0.781) 6.130 3.734 ( 0.385 11.447 -0.298) 11.457 3.735 ( 0.185 11.420 -0.400) 11.428 4.087 ( 0.126 -3.537 -2.283) 4.212 4.090 ( -0.322 -3.505 -2.243) 4.174 4.253 ( 0.365 -3.168 0.212) 3.196 4.255 ( 0.011 -3.128 0.061) 3.129 4.377 ( 0.311 1.685 0.071) 1.715 4.380 ( 0.084 1.549 -0.156) 1.559 4.905 ( 1.208 -11.873 -0.110) 11.935 4.906 ( 1.075 -12.001 -0.237) 12.051 5.125 ( -0.085 -6.747 0.184) 6.750 5.127 ( -0.197 -6.853 0.059) 6.856 5.173 ( 0.530 -11.632 0.460) 11.653 5.175 ( 0.257 -11.707 0.136) 11.710 5.265 ( 1.006 -14.574 1.770) 14.716 5.276 ( -0.148 -15.067 1.049) 15.105 5.429 ( 0.474 2.742 0.056) 2.783 5.432 ( 0.176 2.759 -0.243) 2.775 5.534 ( 1.204 4.254 0.192) 4.425 5.540 ( 0.526 4.277 -0.411) 4.329 5.588 ( 1.765 -0.804 0.370) 1.975 5.595 ( 1.114 -0.900 -0.314) 1.466 5.895 ( 0.481 8.783 0.780) 8.830 5.900 ( 0.052 8.834 0.280) 8.838 6.102 ( -0.310 7.602 0.306) 7.614 6.104 ( -0.570 7.247 0.055) 7.270 6.123 ( 0.371 -3.180 0.042) 3.202 6.128 ( -0.042 -3.215 -0.334) 3.233 6.179 ( -0.209 -5.748 0.110) 5.753 6.182 ( -0.543 -5.717 -0.176) 5.746 6.557 ( 1.318 -5.109 0.880) 5.350 6.583 ( -1.305 -5.383 -1.542) 5.750 6.748 ( 2.758 -4.341 0.491) 5.167 6.758 ( 2.946 -2.012 -0.479) 3.599 6.790 ( -1.421 -2.263 0.840) 2.801 6.810 ( -2.217 -3.475 -0.882) 4.215 6.845 ( 0.252 0.969 0.275) 1.038 6.859 ( -1.218 -0.511 -1.224) 1.801 6.981 ( -0.104 11.221 0.190) 11.223 6.988 ( -0.964 10.951 -0.490) 11.004 7.371 ( -0.259 -1.180 0.171) 1.220 7.376 ( -0.432 -0.498 -0.198) 0.688 7.406 ( -0.931 -0.018 0.276) 0.971 7.411 ( -1.592 -0.510 -0.242) 1.689 7.579 ( 0.248 -2.949 -0.065) 2.960 7.583 ( -0.197 -3.135 -0.401) 3.167 7.635 ( 0.603 -3.124 0.479) 3.218 7.643 ( 0.047 -3.365 -0.036) 3.365 7.658 ( 0.111 -0.168 0.326) 0.383 7.668 ( -0.712 -0.020 -0.503) 0.872 7.941 ( 2.573 -0.820 0.934) 2.857 7.955 ( 1.653 -1.390 -0.301) 2.181 7.998 ( -1.087 2.065 0.242) 2.346 8.004 ( -1.139 1.069 -0.275) 1.586 8.593 ( 0.089 17.739 0.186) 17.741 8.597 ( -0.367 17.788 -0.225) 17.793 8.768 ( 0.253 3.072 1.305) 3.347 8.785 ( -1.260 2.285 0.255) 2.622 8.798 ( 0.041 -0.401 -0.509) 0.650 8.806 ( -1.021 0.502 -0.840) 1.414 9.170 ( -0.204 1.806 0.359) 1.853 9.173 ( -0.503 2.214 0.095) 2.272 9.422 ( 0.492 -5.883 0.175) 5.906 9.426 ( 0.082 -5.738 -0.207) 5.742 9.546 ( 1.110 5.717 1.133) 5.933 9.564 ( -0.953 6.940 -0.423) 7.018 9.701 ( 0.258 4.916 -0.345) 4.935 9.703 ( -0.022 4.639 -0.493) 4.665 9.739 ( -0.244 -2.136 0.000) 2.150 9.741 ( -0.492 -2.016 -0.187) 2.084 9.931 ( 0.386 15.578 0.196) 15.584 9.933 ( 0.160 15.712 0.062) 15.713 10.090 ( 0.996 -4.132 -1.269) 4.435 10.101 ( 0.024 -3.790 -2.803) 4.714 10.306 ( -1.060 4.564 0.594) 4.723 10.315 ( -1.711 3.311 -0.680) 3.789 10.430 ( 0.106 -7.685 0.016) 7.685 10.434 ( -0.429 -7.311 -0.315) 7.331 10.518 ( 1.360 -2.734 0.538) 3.100 10.535 ( -0.167 0.153 -0.962) 0.988 10.578 ( 0.629 -1.841 2.267) 2.987 10.597 ( -0.470 -2.819 -0.055) 2.858 10.676 ( -0.746 0.542 2.971) 3.111 10.691 ( -2.077 1.164 2.180) 3.229 10.861 ( 1.609 -2.299 0.589) 2.867 10.880 ( -0.106 -6.946 -0.904) 7.005 10.936 ( 0.822 0.174 -0.954) 1.271 10.949 ( -0.160 -1.117 -1.654) 2.002 11.451 ( 0.814 -0.503 0.051) 0.958 11.461 ( -0.509 -1.612 -0.780) 1.862 11.507 ( 0.911 6.962 0.930) 7.083 11.513 ( 0.177 13.247 0.141) 13.249 11.588 ( 0.693 12.597 2.029) 12.778 11.606 ( -0.916 9.064 2.125) 9.355 11.645 ( 0.955 5.188 -2.897) 6.019 11.656 ( -0.193 5.525 -2.455) 6.049 12.222 ( 0.203 4.061 0.092) 4.067 12.224 ( 0.006 4.125 -0.094) 4.126 12.354 ( 0.044 5.821 0.075) 5.822 12.354 ( -0.006 5.931 0.020) 5.931 12.851 ( -1.671 -2.064 -0.064) 2.656 12.852 ( -1.703 -2.072 -0.112) 2.685 13.446 ( 0.155 -10.542 0.212) 10.545 13.449 ( -0.124 -10.538 -0.097) 10.539 13.566 ( 0.011 2.571 0.024) 2.571 13.566 ( 0.018 2.424 -0.002) 2.424 14.391 ( 0.076 -7.257 0.114) 7.259 14.392 ( -0.088 -7.147 -0.038) 7.148 14.592 ( 0.003 2.148 -0.021) 2.148 14.593 ( -0.027 2.182 -0.060) 2.183 15.266 ( 0.625 9.180 0.704) 9.228 15.277 ( -0.481 9.140 -0.318) 9.158 16.666 ( 3.503 -7.139 6.031) 9.980 16.712 ( -1.183 -8.803 3.494) 9.545 16.996 ( -0.120 -2.181 2.668) 3.448 17.001 ( -0.418 -2.045 1.308) 2.463 17.124 ( 4.354 -5.392 -5.298) 8.724 17.217 ( -5.184 -10.023 -10.695) 15.547 17.476 ( 1.196 -30.383 2.566) 30.515 17.495 ( -0.670 -29.941 0.187) 29.949 17.628 ( -0.175 -14.268 1.926) 14.398 17.636 ( -0.788 -12.915 1.047) 12.981 17.819 ( 1.270 -2.972 0.025) 3.232 17.831 ( 0.080 -2.426 -1.066) 2.651 18.141 ( 1.297 -5.933 1.566) 6.272 18.154 ( 0.060 -6.075 0.805) 6.129 18.255 ( 1.024 -11.231 0.170) 11.279 18.276 ( -0.789 -9.175 -1.522) 9.333 18.309 ( 1.075 4.938 -0.090) 5.054 18.314 ( 0.700 3.413 -0.504) 3.520 18.349 ( -2.768 0.934 0.184) 2.927 18.355 ( -2.990 -1.001 -0.357) 3.173 18.550 ( 4.406 -9.805 1.448) 10.846 18.576 ( 2.324 -10.490 -0.793) 10.774 18.695 ( -0.048 4.636 0.974) 4.737 18.713 ( -1.918 4.646 -0.767) 5.084 18.852 ( 0.274 4.193 0.645) 4.251 18.857 ( 0.004 4.982 0.290) 4.991 18.949 ( 4.257 -14.399 1.585) 15.099 18.996 ( 2.421 -13.823 -2.743) 14.299 19.074 ( -2.982 1.901 2.152) 4.139 19.132 ( -5.443 0.190 -3.391) 6.415 19.190 ( 0.236 10.769 0.583) 10.787 19.200 ( -1.412 9.683 -0.546) 9.800 19.314 ( -0.927 13.330 -0.006) 13.362 19.316 ( -0.931 12.658 -0.168) 12.693 20.250 ( 0.864 26.884 1.648) 26.948 20.263 ( -0.348 27.560 1.337) 27.595 20.405 ( 1.195 22.136 -4.028) 22.531 20.416 ( 0.148 22.741 -4.183) 23.123 20.726 ( 0.663 -5.534 3.080) 6.368 20.796 ( -6.095 -7.759 -4.668) 10.916 21.228 ( 4.097 -11.757 5.721) 13.702 21.280 ( -0.760 -12.269 0.317) 12.296 ======================= Grid point 45 (19/24) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 5.740 3.085) 6.516 0.661 ( 0.000 8.864 2.706) 9.268 0.728 ( 0.000 3.949 -6.312) 7.446 0.733 ( 0.000 -1.047 1.020) 1.461 0.735 ( 0.000 8.272 -3.175) 8.860 0.763 ( 0.000 2.220 -2.203) 3.127 0.973 ( 0.000 0.436 2.709) 2.744 0.980 ( 0.000 2.179 2.943) 3.662 1.010 ( 0.000 2.785 -0.934) 2.938 1.013 ( 0.000 5.275 -1.120) 5.392 1.044 ( 0.000 10.633 0.474) 10.644 1.075 ( 0.000 2.702 -3.292) 4.259 1.125 ( 0.000 3.075 0.387) 3.099 1.147 ( 0.000 -0.682 -0.919) 1.144 1.207 ( 0.000 2.152 1.583) 2.671 1.218 ( 0.000 2.326 0.612) 2.406 1.278 ( 0.000 0.885 -0.084) 0.889 1.291 ( 0.000 -0.599 -1.089) 1.243 1.355 ( 0.000 1.278 0.916) 1.572 1.362 ( 0.000 1.327 -0.407) 1.388 1.441 ( 0.000 0.704 3.097) 3.176 1.443 ( 0.000 -0.880 1.901) 2.095 1.462 ( 0.000 0.698 2.264) 2.369 1.464 ( 0.000 -0.628 -0.371) 0.729 1.478 ( 0.000 -0.326 -0.355) 0.482 1.533 ( 0.000 1.966 4.171) 4.611 1.535 ( 0.000 -0.589 -2.660) 2.724 1.593 ( 0.000 2.619 -0.436) 2.655 1.629 ( 0.000 1.949 0.725) 2.079 1.648 ( 0.000 0.661 -1.359) 1.512 1.683 ( 0.000 2.245 1.166) 2.530 1.691 ( 0.000 1.141 2.005) 2.307 1.768 ( 0.000 1.248 -4.818) 4.977 1.772 ( 0.000 -2.760 -3.437) 4.407 1.951 ( 0.000 -8.874 3.527) 9.549 1.966 ( 0.000 -2.277 1.882) 2.954 1.999 ( 0.000 -0.515 -1.479) 1.566 2.001 ( 0.000 -5.859 -0.591) 5.888 2.041 ( 0.000 -0.297 1.250) 1.285 2.097 ( 0.000 -3.646 -5.116) 6.282 2.164 ( 0.000 1.716 2.515) 3.045 2.228 ( 0.000 3.360 -3.472) 4.831 2.296 ( 0.000 -11.483 1.638) 11.599 2.314 ( 0.000 -6.116 0.856) 6.176 2.337 ( 0.000 -1.274 1.236) 1.775 2.372 ( 0.000 -1.546 -2.519) 2.956 2.592 ( 0.000 -1.705 0.520) 1.783 2.612 ( 0.000 -2.228 -1.973) 2.976 2.874 ( 0.000 17.164 7.228) 18.624 2.935 ( 0.000 3.603 -0.569) 3.647 2.953 ( 0.000 3.487 1.660) 3.862 3.064 ( 0.000 13.520 -7.583) 15.502 3.384 ( 0.000 5.274 0.679) 5.317 3.384 ( 0.000 7.508 1.851) 7.733 3.399 ( 0.000 3.828 -0.559) 3.869 3.403 ( 0.000 8.047 0.502) 8.062 3.469 ( 0.000 11.368 -0.643) 11.387 3.479 ( 0.000 7.322 -1.762) 7.531 3.634 ( 0.000 11.777 0.785) 11.804 3.650 ( 0.000 12.342 -1.021) 12.384 3.719 ( 0.000 7.613 1.260) 7.716 3.755 ( 0.000 9.713 -1.662) 9.855 3.924 ( 0.000 6.125 1.874) 6.405 3.940 ( 0.000 6.165 -0.202) 6.169 4.046 ( 0.000 0.742 0.483) 0.885 4.059 ( 0.000 2.839 -0.736) 2.933 4.131 ( 0.000 -0.659 1.724) 1.846 4.159 ( 0.000 -0.622 -0.734) 0.962 4.412 ( 0.000 1.098 0.074) 1.100 4.412 ( 0.000 1.127 0.033) 1.127 4.607 ( 0.000 -10.556 0.055) 10.556 4.609 ( 0.000 -10.595 -0.064) 10.595 4.870 ( 0.000 -15.568 1.261) 15.619 4.877 ( 0.000 -14.517 0.795) 14.538 4.886 ( 0.000 -13.626 -0.543) 13.637 4.904 ( 0.000 -17.340 -1.506) 17.406 5.070 ( 0.000 -2.153 0.081) 2.154 5.073 ( 0.000 -1.947 -0.187) 1.956 5.402 ( 0.000 -8.974 0.562) 8.991 5.410 ( 0.000 -8.984 -0.135) 8.985 5.502 ( 0.000 3.567 0.299) 3.580 5.508 ( 0.000 3.755 -0.308) 3.768 5.550 ( 0.000 0.293 1.011) 1.053 5.573 ( 0.000 0.017 -1.147) 1.148 6.041 ( 0.000 5.931 0.735) 5.977 6.057 ( 0.000 6.423 -0.778) 6.470 6.105 ( 0.000 2.332 0.905) 2.501 6.122 ( 0.000 1.924 -0.719) 2.054 6.163 ( 0.000 4.750 0.133) 4.751 6.166 ( 0.000 4.839 -0.153) 4.842 6.287 ( 0.000 7.070 0.032) 7.070 6.295 ( 0.000 6.835 -0.953) 6.901 6.410 ( 0.000 -3.646 3.648) 5.158 6.474 ( 0.000 -5.117 -2.599) 5.739 6.585 ( 0.000 -5.764 1.853) 6.055 6.635 ( 0.000 -4.079 -2.789) 4.941 6.754 ( 0.000 -4.499 0.726) 4.558 6.767 ( 0.000 -2.088 -0.488) 2.144 6.824 ( 0.000 -3.837 0.255) 3.846 6.831 ( 0.000 -4.267 -0.405) 4.286 7.227 ( 0.000 8.676 0.517) 8.692 7.239 ( 0.000 7.406 -0.586) 7.429 7.347 ( 0.000 -2.404 0.701) 2.504 7.361 ( 0.000 -2.059 -0.594) 2.143 7.435 ( 0.000 -1.462 0.198) 1.475 7.443 ( 0.000 -1.562 -0.583) 1.667 7.453 ( 0.000 -5.104 1.054) 5.211 7.473 ( 0.000 -4.710 -0.968) 4.808 7.567 ( 0.000 -0.420 0.716) 0.830 7.580 ( 0.000 -0.721 -0.659) 0.977 7.676 ( 0.000 -0.166 1.232) 1.243 7.696 ( 0.000 -0.499 -0.722) 0.877 7.926 ( 0.000 4.076 1.503) 4.344 7.956 ( 0.000 3.558 -1.357) 3.808 8.042 ( 0.000 0.524 0.853) 1.001 8.057 ( 0.000 0.789 -0.617) 1.001 8.798 ( 0.000 1.581 0.368) 1.624 8.806 ( 0.000 1.129 -0.438) 1.211 8.858 ( 0.000 3.757 2.548) 4.539 8.915 ( 0.000 3.799 -3.022) 4.855 9.033 ( 0.000 18.691 1.430) 18.745 9.059 ( 0.000 20.051 -1.196) 20.087 9.216 ( 0.000 1.892 1.777) 2.596 9.254 ( 0.000 3.186 -1.897) 3.708 9.295 ( 0.000 -4.060 1.415) 4.299 9.323 ( 0.000 -3.337 -1.273) 3.572 9.629 ( 0.000 4.054 5.121) 6.532 9.675 ( 0.000 -1.331 0.078) 1.333 9.677 ( 0.000 -0.590 0.336) 0.679 9.788 ( 0.000 3.228 -10.573) 11.055 9.879 ( 0.000 8.649 1.371) 8.757 9.910 ( 0.000 7.801 -1.643) 7.972 9.964 ( 0.000 -2.394 0.727) 2.502 9.969 ( 0.000 -1.323 0.157) 1.332 10.234 ( 0.000 -7.157 -0.403) 7.168 10.242 ( 0.000 -7.552 -1.038) 7.623 10.266 ( 0.000 12.148 0.167) 12.150 10.269 ( 0.000 15.406 -0.101) 15.407 10.331 ( 0.000 -4.965 -0.356) 4.978 10.341 ( 0.000 -6.745 -1.405) 6.889 10.482 ( 0.000 0.310 1.132) 1.174 10.484 ( 0.000 -1.185 1.062) 1.591 10.564 ( 0.000 -5.696 7.539) 9.449 10.593 ( 0.000 -1.759 0.146) 1.765 10.612 ( 0.000 -6.893 -0.119) 6.894 10.687 ( 0.000 -4.603 -3.770) 5.950 10.756 ( 0.000 -6.058 0.675) 6.096 10.767 ( 0.000 1.014 -0.362) 1.077 10.978 ( 0.000 7.965 0.215) 7.968 10.983 ( 0.000 7.232 -0.342) 7.240 11.366 ( 0.000 -3.055 2.397) 3.883 11.387 ( 0.000 -4.711 -0.098) 4.712 11.513 ( 0.000 3.015 3.426) 4.564 11.599 ( 0.000 2.405 -4.169) 4.813 11.624 ( 0.000 0.339 0.324) 0.469 11.632 ( 0.000 0.321 -0.586) 0.668 12.137 ( 0.000 19.178 -0.057) 19.178 12.142 ( 0.000 15.760 -0.519) 15.769 12.425 ( 0.000 16.457 0.226) 16.459 12.430 ( 0.000 13.635 -0.187) 13.637 12.520 ( 0.000 16.963 0.936) 16.989 12.548 ( 0.000 20.242 -1.773) 20.319 12.824 ( 0.000 -5.546 0.253) 5.552 12.824 ( 0.000 -5.018 0.262) 5.025 13.161 ( 0.000 -16.226 0.585) 16.237 13.173 ( 0.000 -15.921 -0.511) 15.929 13.652 ( 0.000 5.922 0.572) 5.949 13.664 ( 0.000 6.250 -0.602) 6.279 14.204 ( 0.000 -9.698 0.602) 9.716 14.216 ( 0.000 -9.368 -0.561) 9.385 14.567 ( 0.000 -7.772 0.155) 7.774 14.570 ( 0.000 -7.577 -0.160) 7.578 15.494 ( 0.000 13.258 1.510) 13.344 15.526 ( 0.000 13.164 -1.494) 13.248 16.380 ( 0.000 -10.977 2.828) 11.335 16.446 ( 0.000 -12.758 -3.433) 13.212 16.650 ( 0.000 -27.867 0.512) 27.872 16.661 ( 0.000 -26.406 -0.623) 26.413 16.955 ( 0.000 -6.643 6.321) 9.170 16.983 ( 0.000 -2.354 0.405) 2.388 16.995 ( 0.000 -0.784 0.836) 1.146 17.083 ( 0.000 -17.845 -4.515) 18.407 17.344 ( 0.000 -17.804 0.130) 17.804 17.345 ( 0.000 -12.245 0.004) 12.245 17.769 ( 0.000 1.478 2.184) 2.637 17.811 ( 0.000 0.546 -1.801) 1.881 17.959 ( 0.000 -6.204 0.095) 6.205 17.981 ( 0.000 -7.228 -1.965) 7.491 18.025 ( 0.000 -7.251 1.210) 7.351 18.036 ( 0.000 -7.369 0.222) 7.372 18.127 ( 0.000 -7.296 0.887) 7.350 18.152 ( 0.000 -10.983 -1.531) 11.089 18.317 ( 0.000 -3.210 0.241) 3.219 18.328 ( 0.000 -3.975 -0.890) 4.073 18.519 ( 0.000 -13.321 0.534) 13.332 18.529 ( 0.000 -16.046 -0.485) 16.053 18.748 ( 0.000 16.181 0.192) 16.183 18.754 ( 0.000 15.373 -0.339) 15.377 18.801 ( 0.000 4.470 4.256) 6.172 18.874 ( 0.000 3.138 -2.676) 4.124 18.929 ( 0.000 3.401 0.338) 3.418 18.933 ( 0.000 3.977 0.078) 3.978 19.413 ( 0.000 1.359 4.171) 4.387 19.450 ( 0.000 14.707 1.347) 14.768 19.477 ( 0.000 15.176 -1.321) 15.233 19.519 ( 0.000 2.209 -5.221) 5.669 19.656 ( 0.000 16.723 0.703) 16.738 19.695 ( 0.000 12.356 -4.088) 13.015 20.469 ( 0.000 -10.333 8.554) 13.414 20.629 ( 0.000 -6.002 -7.399) 9.528 20.644 ( 0.000 -10.584 0.094) 10.585 20.654 ( 0.000 -12.141 -0.494) 12.151 20.811 ( 0.000 16.905 1.254) 16.951 20.829 ( 0.000 18.846 -0.755) 18.861 20.950 ( 0.000 6.685 5.834) 8.873 21.060 ( 0.000 9.354 -5.031) 10.621 ======================= Grid point 46 (20/24) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.277 7.137 2.364) 7.523 0.676 ( 0.428 3.545 2.411) 4.309 0.702 ( -0.697 7.940 -4.255) 9.035 0.736 ( 0.212 -0.549 -2.029) 2.113 0.773 ( 2.829 4.598 0.881) 5.470 0.818 ( 3.803 3.868 -2.844) 6.125 0.934 ( -3.639 4.093 1.494) 5.677 0.957 ( -3.374 6.425 -0.544) 7.278 0.974 ( -1.503 1.429 0.876) 2.251 0.990 ( -0.556 5.606 -0.538) 5.659 1.035 ( 0.731 4.330 2.019) 4.833 1.106 ( 1.062 0.186 -4.532) 4.658 1.145 ( 0.758 1.579 0.953) 1.994 1.163 ( 1.330 2.008 -0.079) 2.410 1.233 ( 2.561 2.925 1.283) 4.094 1.250 ( 2.869 1.768 -0.006) 3.370 1.318 ( 2.593 -0.518 0.499) 2.691 1.320 ( 2.217 -1.851 0.357) 2.910 1.342 ( -1.108 0.814 0.575) 1.491 1.354 ( -0.007 3.002 -0.463) 3.038 1.383 ( -2.008 -0.503 1.701) 2.679 1.419 ( -2.031 1.250 -0.500) 2.437 1.446 ( -1.647 -1.601 0.445) 2.339 1.468 ( -1.925 -1.520 -0.758) 2.567 1.488 ( -1.218 1.272 1.638) 2.405 1.496 ( 0.246 0.078 1.097) 1.127 1.584 ( 1.175 2.618 -0.278) 2.883 1.599 ( 2.832 2.183 -1.617) 3.924 1.647 ( 1.683 1.827 1.565) 2.936 1.662 ( 0.906 0.821 0.210) 1.240 1.694 ( 2.410 4.129 1.705) 5.076 1.717 ( 1.459 -0.221 3.082) 3.417 1.766 ( 0.328 0.252 -3.314) 3.340 1.798 ( 1.345 -0.721 -3.562) 3.875 1.938 ( -1.126 -4.917 1.576) 5.284 1.968 ( -1.387 -5.774 0.217) 5.942 1.977 ( -1.459 -2.083 -1.077) 2.761 1.989 ( -1.496 -3.918 -0.395) 4.213 2.030 ( -0.717 -1.450 2.246) 2.767 2.090 ( -2.815 -2.821 -0.274) 3.994 2.119 ( -2.930 -2.642 -1.374) 4.177 2.162 ( -5.711 0.942 -2.584) 6.338 2.285 ( -0.701 -9.778 1.555) 9.926 2.316 ( 0.077 -6.933 -0.332) 6.941 2.342 ( 0.902 -0.984 1.476) 1.991 2.386 ( 1.503 -0.549 -1.981) 2.546 2.603 ( 0.816 -2.024 1.268) 2.524 2.632 ( 1.516 -2.315 -1.744) 3.271 2.820 ( -4.186 18.949 5.261) 20.106 2.906 ( -4.591 11.670 -2.475) 12.783 2.916 ( -2.922 2.936 0.229) 4.149 2.928 ( -6.986 10.368 -1.642) 12.610 3.389 ( 0.070 5.991 1.235) 6.117 3.392 ( 0.458 4.428 0.465) 4.476 3.399 ( 0.324 4.772 0.212) 4.787 3.415 ( 0.147 5.429 -0.906) 5.506 3.526 ( 5.232 10.257 1.298) 11.587 3.572 ( 5.897 12.111 -2.414) 13.685 3.634 ( 0.064 12.521 0.538) 12.533 3.651 ( -0.009 12.158 -1.268) 12.224 3.715 ( -0.472 9.641 1.478) 9.765 3.742 ( -1.050 10.926 -0.701) 10.998 3.930 ( 0.529 4.816 0.280) 4.853 3.940 ( 0.032 4.552 -0.774) 4.618 4.043 ( -0.101 3.121 0.243) 3.132 4.051 ( -0.325 4.096 -0.495) 4.138 4.164 ( 2.402 -1.445 0.973) 2.967 4.180 ( 1.598 -1.278 -0.366) 2.079 4.409 ( -0.240 1.099 0.076) 1.127 4.410 ( -0.156 1.023 -0.038) 1.035 4.624 ( 1.590 -10.748 0.030) 10.865 4.626 ( 1.565 -10.738 -0.069) 10.851 4.861 ( -0.328 -15.487 1.231) 15.540 4.879 ( 0.367 -14.017 -0.258) 14.025 4.901 ( -0.398 -17.191 -0.129) 17.196 4.904 ( 0.949 -15.239 -0.267) 15.271 5.058 ( -1.163 -2.233 -0.021) 2.518 5.059 ( -0.880 -2.618 -0.080) 2.763 5.411 ( 0.813 -8.980 0.435) 9.027 5.418 ( 0.716 -8.908 -0.222) 8.940 5.512 ( 0.928 2.993 0.277) 3.146 5.518 ( 0.871 3.288 -0.290) 3.414 5.557 ( 0.596 -0.220 0.819) 1.036 5.576 ( 0.209 -0.425 -0.970) 1.079 6.043 ( 0.261 5.821 0.895) 5.895 6.060 ( 0.190 6.255 -0.596) 6.287 6.105 ( 0.018 2.105 0.648) 2.203 6.121 ( -0.156 2.089 -0.841) 2.258 6.168 ( 0.442 4.782 0.028) 4.803 6.168 ( 0.261 5.088 -0.049) 5.095 6.289 ( 0.349 7.911 0.191) 7.921 6.298 ( 0.263 8.153 -0.699) 8.188 6.418 ( 0.706 -4.305 2.923) 5.251 6.471 ( -0.407 -5.261 -2.214) 5.722 6.591 ( 0.714 -6.148 1.898) 6.473 6.644 ( 0.635 -5.159 -3.269) 6.140 6.748 ( -0.401 -3.591 1.476) 3.903 6.769 ( 0.060 -2.160 -0.654) 2.258 6.822 ( -0.204 -3.868 0.207) 3.878 6.828 ( -0.321 -4.357 -0.367) 4.384 7.216 ( -0.921 8.402 0.296) 8.457 7.225 ( -1.190 7.575 -0.549) 7.687 7.340 ( -0.860 -2.456 0.646) 2.681 7.353 ( -0.981 -2.589 -0.573) 2.828 7.414 ( -0.959 -0.996 0.604) 1.509 7.426 ( -0.473 -1.105 -0.559) 1.326 7.477 ( 1.073 -3.597 1.142) 3.924 7.501 ( 1.255 -3.433 -1.178) 3.840 7.561 ( 0.079 -1.490 0.522) 1.580 7.572 ( -0.265 -1.545 -0.553) 1.663 7.669 ( -0.760 -0.279 0.962) 1.257 7.686 ( -1.018 -0.599 -0.689) 1.368 7.939 ( 1.191 3.394 1.180) 3.785 7.962 ( 0.533 3.036 -1.008) 3.243 8.039 ( -0.249 0.626 0.661) 0.943 8.051 ( -0.571 0.903 -0.490) 1.175 8.796 ( -0.182 1.674 0.291) 1.708 8.802 ( -0.383 1.306 -0.295) 1.393 8.855 ( -0.251 3.832 2.077) 4.366 8.902 ( -1.286 3.722 -2.487) 4.658 9.022 ( -0.929 18.758 1.161) 18.816 9.043 ( -1.426 19.691 -0.945) 19.766 9.211 ( -0.307 2.095 1.572) 2.637 9.243 ( -1.013 3.203 -1.491) 3.676 9.297 ( 0.200 -4.558 0.994) 4.669 9.319 ( -0.443 -3.978 -1.031) 4.133 9.638 ( 1.033 4.304 4.566) 6.360 9.668 ( -0.801 -0.074 0.532) 0.964 9.672 ( -0.227 -1.055 -0.094) 1.083 9.765 ( -1.915 4.746 -7.269) 8.890 9.875 ( -0.185 7.800 0.497) 7.818 9.893 ( -1.003 7.533 -1.018) 7.667 9.975 ( 1.133 -3.057 0.881) 3.377 9.995 ( 1.154 -2.880 -1.086) 3.287 10.235 ( 0.294 -7.241 -0.093) 7.248 10.242 ( 0.200 -7.230 -0.657) 7.263 10.276 ( 0.878 13.605 0.031) 13.633 10.277 ( 0.822 15.279 -0.077) 15.301 10.343 ( 0.431 -4.536 0.524) 4.587 10.367 ( 1.568 -4.371 -2.166) 5.124 10.457 ( -1.700 0.224 4.334) 4.661 10.485 ( 0.770 -1.035 0.594) 1.420 10.536 ( -0.337 -3.531 2.531) 4.357 10.584 ( -1.933 -5.524 -1.899) 6.153 10.651 ( 2.255 -3.571 1.126) 4.371 10.690 ( -0.079 -7.417 -2.391) 7.793 10.748 ( -0.669 -5.026 0.256) 5.077 10.753 ( -1.149 1.716 -0.127) 2.069 10.987 ( 0.931 6.985 0.602) 7.073 10.998 ( 1.158 6.120 -0.396) 6.241 11.374 ( 0.541 -4.100 1.252) 4.321 11.385 ( -0.155 -4.820 -0.052) 4.822 11.531 ( 1.889 3.120 3.390) 4.979 11.604 ( 0.370 2.314 -2.824) 3.669 11.626 ( 0.229 0.112 -0.055) 0.261 11.635 ( 0.272 0.372 -0.849) 0.966 12.134 ( -0.295 19.372 -0.100) 19.374 12.137 ( -0.444 16.754 -0.396) 16.764 12.429 ( 0.316 16.053 0.195) 16.057 12.432 ( 0.257 14.009 -0.163) 14.012 12.527 ( 0.687 17.439 0.875) 17.475 12.550 ( 0.163 19.909 -1.290) 19.951 12.812 ( -1.107 -4.674 0.147) 4.806 12.814 ( -1.029 -4.369 -0.030) 4.489 13.160 ( -0.178 -16.055 0.427) 16.062 13.168 ( -0.438 -15.924 -0.401) 15.935 13.651 ( -0.091 5.746 0.439) 5.764 13.660 ( -0.373 6.057 -0.451) 6.086 14.203 ( -0.084 -9.762 0.514) 9.776 14.213 ( -0.293 -9.483 -0.468) 9.499 14.570 ( 0.266 -7.774 0.064) 7.779 14.572 ( 0.148 -7.570 -0.105) 7.572 15.499 ( 0.505 13.306 1.264) 13.375 15.525 ( -0.088 13.226 -1.201) 13.281 16.404 ( 2.252 -11.666 2.735) 12.192 16.457 ( 0.972 -13.397 -2.089) 13.593 16.659 ( 0.762 -28.079 0.236) 28.090 16.667 ( 0.504 -27.022 -0.667) 27.035 16.946 ( -0.216 -3.906 3.821) 5.468 16.981 ( -0.728 -1.354 -0.413) 1.592 17.025 ( 3.227 -4.524 2.010) 5.910 17.101 ( 1.685 -15.610 -4.176) 16.246 17.315 ( -2.636 -18.309 0.835) 18.517 17.328 ( -1.844 -13.777 -0.419) 13.906 17.780 ( 0.944 1.088 1.407) 2.014 17.812 ( -0.016 0.307 -1.621) 1.650 17.972 ( 0.999 -6.951 0.138) 7.024 17.988 ( 0.619 -7.413 -1.199) 7.535 18.029 ( 0.229 -7.869 1.061) 7.943 18.037 ( 0.014 -8.218 0.396) 8.228 18.141 ( 1.425 -7.970 0.807) 8.136 18.164 ( 0.883 -9.365 -1.156) 9.478 18.313 ( -0.569 -4.384 0.114) 4.422 18.324 ( 0.528 -5.232 -0.745) 5.312 18.547 ( 2.605 -12.141 0.641) 12.434 18.559 ( 2.395 -13.215 -0.570) 13.442 18.726 ( -1.686 15.494 0.427) 15.591 18.742 ( -0.726 13.332 -0.999) 13.389 18.804 ( 0.353 5.156 3.193) 6.075 18.860 ( -1.273 4.602 -2.297) 5.298 18.930 ( 0.666 3.064 1.263) 3.380 18.949 ( 0.798 3.457 -0.536) 3.588 19.315 ( -8.997 1.854 3.111) 9.699 19.394 ( -10.878 1.415 -4.189) 11.742 19.454 ( 0.548 14.853 1.406) 14.930 19.485 ( -0.298 14.809 -1.627) 14.901 19.659 ( 0.316 17.285 0.456) 17.294 19.677 ( -0.860 16.282 -1.495) 16.373 20.447 ( -1.281 -11.357 6.143) 12.975 20.585 ( -3.919 -10.505 -7.789) 13.653 20.678 ( 2.776 -7.784 0.725) 8.296 20.691 ( 2.546 -7.828 -0.523) 8.248 20.804 ( -0.422 18.151 1.435) 18.212 20.829 ( -0.444 19.038 -1.078) 19.074 20.977 ( 3.458 6.768 7.140) 10.428 21.101 ( 2.724 5.769 -5.273) 8.277 ======================= Grid point 47 (21/24) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.131 4.452 1.474) 5.151 0.672 ( -0.903 1.691 0.080) 1.918 0.710 ( 1.467 6.246 -0.744) 6.458 0.738 ( -0.665 2.495 -2.483) 3.582 0.805 ( 0.765 5.334 2.894) 6.117 0.838 ( -2.170 4.978 0.285) 5.438 0.900 ( 0.863 3.857 -0.398) 3.972 0.921 ( -0.794 3.537 -2.376) 4.334 0.964 ( 1.376 6.302 1.078) 6.539 0.991 ( -0.183 6.260 -1.426) 6.423 1.050 ( 0.265 2.976 1.086) 3.179 1.073 ( -2.895 3.085 -0.812) 4.308 1.183 ( 3.180 0.218 -0.092) 3.189 1.202 ( 1.802 1.128 -1.324) 2.504 1.264 ( 0.130 0.085 0.609) 0.629 1.276 ( -0.972 -1.229 -0.340) 1.604 1.319 ( 0.645 -2.014 2.275) 3.106 1.332 ( -0.688 -2.751 3.181) 4.261 1.371 ( 2.220 -0.780 -1.758) 2.937 1.377 ( 0.552 0.476 -0.667) 0.988 1.381 ( 1.284 2.292 -0.413) 2.659 1.395 ( -0.233 -0.074 -1.375) 1.396 1.432 ( 0.408 -0.147 0.714) 0.835 1.443 ( -0.143 1.060 -0.458) 1.163 1.458 ( -1.701 1.367 0.616) 2.268 1.467 ( -2.477 0.096 -0.110) 2.482 1.621 ( 1.831 0.496 0.895) 2.098 1.640 ( 0.681 1.798 -0.697) 2.045 1.673 ( 0.878 2.064 0.777) 2.374 1.682 ( 0.354 1.998 -0.120) 2.033 1.738 ( 2.668 1.199 1.649) 3.358 1.759 ( 1.078 2.042 0.624) 2.392 1.775 ( 2.286 2.762 0.905) 3.698 1.812 ( -0.321 2.063 -1.267) 2.442 1.915 ( -1.066 -3.553 -0.244) 3.718 1.930 ( -1.976 -2.768 -1.631) 3.772 1.936 ( -3.220 -1.612 0.115) 3.603 1.946 ( -2.204 -1.789 -1.410) 3.170 1.966 ( -2.598 -5.280 -0.090) 5.885 1.990 ( -5.951 -4.187 -1.872) 7.514 2.093 ( 2.246 -4.184 3.005) 5.620 2.128 ( -1.006 -3.729 0.058) 3.863 2.286 ( 0.921 -9.327 -0.627) 9.394 2.307 ( -0.965 -7.990 -2.046) 8.304 2.380 ( 2.634 -0.043 2.872) 3.897 2.410 ( 0.143 0.092 0.518) 0.545 2.613 ( 0.639 -4.135 1.203) 4.353 2.639 ( -1.271 -5.602 -0.917) 5.817 2.769 ( -0.496 23.492 1.396) 23.539 2.797 ( -3.391 22.914 -1.053) 23.188 2.874 ( -1.083 2.873 -0.258) 3.081 2.879 ( -1.401 3.061 -0.621) 3.423 3.390 ( 0.185 5.129 0.200) 5.136 3.396 ( -0.233 4.942 -0.220) 4.952 3.407 ( 0.283 4.590 0.145) 4.601 3.411 ( -0.105 4.803 -0.260) 4.812 3.617 ( 3.363 11.491 1.139) 12.027 3.634 ( 1.074 13.095 -0.187) 13.140 3.639 ( 0.497 12.862 0.254) 12.874 3.650 ( -0.268 12.350 -0.639) 12.370 3.706 ( -0.091 13.561 1.930) 13.698 3.721 ( -1.232 12.584 0.587) 12.658 3.938 ( 0.315 2.679 -1.823) 3.256 3.941 ( 0.001 2.631 -1.997) 3.303 4.045 ( 0.227 5.614 -0.075) 5.619 4.049 ( -0.095 5.562 -0.425) 5.579 4.198 ( 1.052 -1.527 0.207) 1.866 4.202 ( 0.589 -1.396 -0.118) 1.520 4.405 ( -0.099 0.967 0.051) 0.973 4.406 ( -0.197 0.905 -0.053) 0.928 4.653 ( 1.026 -10.963 -0.073) 11.011 4.654 ( 0.980 -10.941 -0.111) 10.986 4.864 ( 0.653 -16.184 1.441) 16.261 4.881 ( -0.791 -17.222 0.366) 17.244 4.894 ( 0.486 -13.891 0.175) 13.900 4.908 ( -0.511 -15.013 -0.581) 15.033 5.044 ( -0.170 -3.319 0.129) 3.326 5.047 ( -0.347 -3.680 -0.098) 3.698 5.426 ( 0.575 -8.896 0.126) 8.916 5.429 ( 0.266 -8.799 -0.163) 8.804 5.530 ( 0.760 1.905 0.183) 2.059 5.533 ( 0.484 2.126 -0.089) 2.182 5.568 ( 0.537 -0.801 0.238) 0.993 5.576 ( -0.246 -0.889 -0.507) 1.053 6.052 ( 0.561 5.543 0.841) 5.635 6.060 ( -0.226 5.724 0.156) 5.730 6.108 ( 0.330 1.763 -0.167) 1.801 6.116 ( -0.393 1.907 -0.779) 2.097 6.173 ( 0.199 5.760 -0.010) 5.764 6.174 ( 0.154 5.515 -0.090) 5.518 6.299 ( 0.485 9.634 0.342) 9.652 6.302 ( 0.113 9.960 0.029) 9.961 6.435 ( 1.094 -5.539 0.856) 5.711 6.456 ( -1.063 -5.661 -1.154) 5.874 6.613 ( 1.564 -6.942 1.156) 7.209 6.642 ( -1.090 -7.131 -1.655) 7.401 6.750 ( 0.715 -2.060 0.888) 2.354 6.765 ( -0.564 -2.055 -0.576) 2.207 6.819 ( -0.058 -3.988 0.077) 3.990 6.821 ( -0.302 -4.256 -0.155) 4.270 7.202 ( -0.402 8.114 -0.060) 8.125 7.205 ( -0.725 7.924 -0.343) 7.965 7.322 ( -0.574 -2.649 0.301) 2.727 7.329 ( -1.166 -2.869 -0.314) 3.113 7.413 ( 0.648 0.525 0.818) 1.168 7.424 ( -0.179 1.048 -0.152) 1.074 7.483 ( 0.184 -3.249 0.392) 3.278 7.498 ( -1.053 -2.761 -0.871) 3.080 7.582 ( 1.462 -2.688 0.278) 3.072 7.586 ( 1.229 -2.740 0.004) 3.003 7.651 ( -0.761 -0.800 0.223) 1.127 7.660 ( -1.464 -1.024 -0.576) 1.877 7.962 ( 0.991 2.287 0.506) 2.543 7.970 ( 0.159 2.154 -0.281) 2.179 8.034 ( -0.160 1.027 0.227) 1.064 8.038 ( -0.609 1.189 -0.179) 1.348 8.793 ( -0.036 1.768 0.145) 1.774 8.795 ( -0.264 1.620 -0.046) 1.642 8.855 ( 0.417 3.805 0.801) 3.911 8.874 ( -1.473 3.652 -0.989) 4.060 9.008 ( -0.274 18.693 0.424) 18.700 9.017 ( -1.115 18.942 -0.374) 18.978 9.211 ( 0.353 2.680 0.752) 2.805 9.223 ( -0.913 3.108 -0.452) 3.270 9.302 ( 0.292 -5.148 0.280) 5.164 9.309 ( -0.486 -4.987 -0.417) 5.028 9.654 ( 0.086 1.689 2.239) 2.806 9.656 ( -0.346 0.752 1.450) 1.669 9.683 ( 1.972 2.888 0.117) 3.499 9.726 ( -2.207 5.038 -2.303) 5.963 9.875 ( 0.121 7.051 -0.591) 7.077 9.880 ( -0.431 6.974 -0.982) 7.056 9.993 ( 0.745 -4.045 -0.284) 4.122 10.003 ( -0.177 -4.035 -1.118) 4.191 10.245 ( 0.576 -7.279 -0.036) 7.301 10.248 ( 0.232 -7.372 -0.324) 7.382 10.291 ( 0.576 15.204 0.079) 15.215 10.292 ( 0.521 15.830 -0.025) 15.839 10.339 ( -0.298 -1.581 1.291) 2.063 10.353 ( -1.773 -0.812 0.315) 1.976 10.482 ( 3.207 -1.331 1.132) 3.652 10.513 ( 1.697 -2.944 0.065) 3.399 10.533 ( -0.447 -3.715 0.658) 3.799 10.540 ( -2.680 -2.127 -1.127) 3.603 10.673 ( 0.374 -5.526 0.013) 5.539 10.681 ( -0.630 -8.214 -0.789) 8.276 10.735 ( -0.390 -0.782 -0.096) 0.879 10.737 ( -0.512 -0.967 -0.227) 1.117 11.006 ( 0.893 5.573 0.631) 5.680 11.013 ( 0.279 5.130 -0.030) 5.138 11.379 ( 0.115 -4.788 0.118) 4.791 11.382 ( -0.181 -4.920 -0.086) 4.924 11.573 ( 2.157 2.435 2.178) 3.915 11.602 ( -0.777 2.047 0.186) 2.197 11.634 ( 0.487 0.096 -1.096) 1.203 11.639 ( -0.009 0.280 -1.164) 1.197 12.129 ( -0.166 19.359 -0.149) 19.360 12.130 ( -0.256 18.462 -0.215) 18.465 12.435 ( 0.303 15.418 0.102) 15.421 12.437 ( 0.138 14.767 -0.062) 14.767 12.542 ( 0.729 18.320 0.493) 18.341 12.551 ( -0.150 19.166 -0.326) 19.169 12.792 ( -0.621 -3.375 -0.134) 3.435 12.794 ( -0.768 -3.351 -0.321) 3.453 13.157 ( -0.059 -15.902 0.118) 15.902 13.160 ( -0.381 -15.918 -0.170) 15.924 13.650 ( 0.032 5.553 0.157) 5.555 13.653 ( -0.308 5.698 -0.147) 5.708 14.202 ( 0.094 -9.831 0.226) 9.835 14.207 ( -0.327 -9.717 -0.174) 9.724 14.574 ( 0.129 -7.656 -0.020) 7.657 14.574 ( 0.090 -7.571 -0.042) 7.572 15.511 ( 0.656 13.364 0.571) 13.392 15.521 ( -0.368 13.331 -0.390) 13.342 16.448 ( 2.013 -12.903 2.117) 13.229 16.469 ( -0.079 -13.668 0.422) 13.675 16.671 ( 0.441 -28.299 -0.203) 28.303 16.674 ( 0.116 -28.208 -0.624) 28.215 16.951 ( 0.610 -2.394 1.681) 2.988 16.965 ( -0.860 -1.783 0.183) 1.988 17.095 ( 3.666 -5.411 -0.815) 6.587 17.130 ( 0.590 -9.678 -3.970) 10.477 17.266 ( -1.602 -19.784 1.916) 19.941 17.282 ( -2.576 -18.197 0.171) 18.379 17.796 ( 0.748 0.470 0.129) 0.893 17.808 ( -0.421 0.108 -0.975) 1.067 17.989 ( 0.792 -8.310 0.333) 8.354 17.997 ( 0.082 -9.625 -0.422) 9.634 18.030 ( 0.007 -6.160 1.088) 6.255 18.034 ( -0.292 -8.054 0.604) 8.082 18.168 ( 0.955 -8.275 0.072) 8.330 18.174 ( 0.170 -7.891 -0.430) 7.904 18.319 ( 1.201 -6.541 0.898) 6.711 18.335 ( -0.027 -7.788 -0.550) 7.808 18.585 ( 0.635 -4.150 -0.048) 4.199 18.587 ( 0.334 -4.084 -0.198) 4.102 18.724 ( 1.904 7.637 -0.010) 7.871 18.745 ( 0.429 5.180 -1.854) 5.518 18.821 ( 1.494 5.514 1.190) 5.836 18.840 ( -0.669 5.721 -0.613) 5.792 18.946 ( 0.734 3.027 0.691) 3.190 18.955 ( -0.192 3.206 -0.187) 3.217 19.155 ( -5.510 3.097 1.501) 6.496 19.186 ( -8.518 2.410 -1.468) 8.973 19.467 ( 0.744 14.720 0.769) 14.758 19.479 ( -0.467 14.936 -0.358) 14.947 19.665 ( 0.240 18.105 0.156) 18.107 19.669 ( -0.216 18.100 -0.193) 18.102 20.445 ( 1.364 -12.248 1.027) 12.367 20.501 ( -4.259 -12.665 -4.528) 14.108 20.724 ( 1.633 -5.410 0.297) 5.659 20.728 ( 1.157 -5.196 -0.166) 5.326 20.799 ( 0.078 20.853 1.632) 20.917 20.812 ( -1.096 20.273 0.732) 20.316 21.061 ( 4.500 4.025 2.939) 6.714 21.119 ( -1.203 3.089 -2.500) 4.152 ======================= Grid point 50 (22/24) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 0.565 0.379) 0.680 0.691 ( 0.000 -0.800 -0.492) 0.939 0.801 ( 0.000 5.110 1.042) 5.215 0.829 ( 0.000 2.935 -2.567) 3.899 0.837 ( 0.000 3.029 -0.510) 3.072 0.852 ( 0.000 1.538 -0.955) 1.810 0.983 ( 0.000 1.085 2.788) 2.992 0.984 ( 0.000 -0.213 3.821) 3.826 1.015 ( 0.000 -0.801 -0.890) 1.197 1.048 ( 0.000 0.296 -2.366) 2.385 1.139 ( 0.000 -4.009 1.420) 4.253 1.145 ( 0.000 1.272 0.211) 1.289 1.156 ( 0.000 0.788 1.720) 1.892 1.168 ( 0.000 0.503 0.662) 0.831 1.243 ( 0.000 4.232 -2.745) 5.044 1.247 ( 0.000 0.523 -1.449) 1.541 1.285 ( 0.000 -0.443 0.086) 0.452 1.302 ( 0.000 1.153 -1.247) 1.698 1.366 ( 0.000 1.306 0.163) 1.316 1.381 ( 0.000 0.112 -1.418) 1.422 1.408 ( 0.000 -2.566 0.870) 2.709 1.417 ( 0.000 -3.237 -0.272) 3.248 1.437 ( 0.000 -0.407 -0.951) 1.034 1.437 ( 0.000 -0.466 -0.723) 0.860 1.542 ( 0.000 3.722 -0.742) 3.795 1.551 ( 0.000 4.104 -1.002) 4.225 1.619 ( 0.000 -1.841 1.527) 2.392 1.623 ( 0.000 1.554 1.295) 2.023 1.663 ( 0.000 -1.044 0.991) 1.440 1.666 ( 0.000 2.692 1.108) 2.911 1.694 ( 0.000 -0.531 0.475) 0.713 1.717 ( 0.000 -4.387 -2.475) 5.037 1.792 ( 0.000 6.400 1.962) 6.694 1.846 ( 0.000 5.653 -2.490) 6.177 1.874 ( 0.000 3.578 4.781) 5.971 1.923 ( 0.000 3.250 1.665) 3.651 1.983 ( 0.000 1.252 -1.721) 2.129 2.001 ( 0.000 -0.118 -2.424) 2.427 2.057 ( 0.000 -4.101 0.339) 4.115 2.061 ( 0.000 -3.765 1.803) 4.174 2.073 ( 0.000 -2.043 -0.588) 2.126 2.085 ( 0.000 -0.905 0.018) 0.905 2.188 ( 0.000 -7.679 0.717) 7.713 2.207 ( 0.000 -5.861 -0.560) 5.887 2.345 ( 0.000 2.792 2.002) 3.436 2.401 ( 0.000 3.480 -3.311) 4.803 2.458 ( 0.000 -7.349 1.939) 7.601 2.500 ( 0.000 -5.006 -2.023) 5.400 3.003 ( 0.000 3.459 1.028) 3.608 3.024 ( 0.000 4.698 -0.940) 4.792 3.063 ( 0.000 -0.309 3.359) 3.373 3.131 ( 0.000 -4.021 -3.074) 5.061 3.470 ( 0.000 2.363 0.411) 2.399 3.477 ( 0.000 1.859 0.841) 2.040 3.481 ( 0.000 2.567 0.003) 2.567 3.496 ( 0.000 1.263 -0.170) 1.274 3.633 ( 0.000 5.836 0.883) 5.903 3.666 ( 0.000 5.490 -2.565) 6.060 3.752 ( 0.000 -0.468 1.391) 1.468 3.791 ( 0.000 -0.882 -3.011) 3.137 3.995 ( 0.000 12.889 0.349) 12.894 4.015 ( 0.000 12.828 -1.726) 12.943 4.073 ( 0.000 10.842 1.725) 10.979 4.083 ( 0.000 10.476 0.453) 10.485 4.131 ( 0.000 -0.119 1.746) 1.750 4.161 ( 0.000 -0.329 -1.295) 1.337 4.204 ( 0.000 5.562 0.292) 5.569 4.211 ( 0.000 5.463 -0.344) 5.474 4.406 ( 0.000 -2.591 0.063) 2.592 4.409 ( 0.000 -1.668 -0.126) 1.673 4.427 ( 0.000 -4.236 0.541) 4.270 4.430 ( 0.000 -4.723 0.123) 4.725 4.570 ( 0.000 -9.597 0.194) 9.599 4.574 ( 0.000 -11.418 -0.165) 11.419 4.601 ( 0.000 -10.789 0.576) 10.804 4.612 ( 0.000 -10.700 -0.500) 10.711 5.079 ( 0.000 3.232 0.167) 3.236 5.082 ( 0.000 3.087 -0.126) 3.090 5.204 ( 0.000 -8.235 0.200) 8.238 5.206 ( 0.000 -8.548 -0.002) 8.548 5.557 ( 0.000 1.002 0.388) 1.074 5.564 ( 0.000 1.369 0.151) 1.377 5.566 ( 0.000 0.205 -0.502) 0.543 5.567 ( 0.000 1.025 -0.192) 1.043 6.130 ( 0.000 2.522 0.508) 2.572 6.144 ( 0.000 1.690 -0.796) 1.868 6.154 ( 0.000 1.475 0.179) 1.486 6.157 ( 0.000 0.906 -0.107) 0.913 6.297 ( 0.000 0.721 0.857) 1.120 6.299 ( 0.000 2.518 0.409) 2.551 6.326 ( 0.000 4.914 0.667) 4.959 6.363 ( 0.000 0.694 -2.798) 2.882 6.465 ( 0.000 5.389 1.737) 5.662 6.491 ( 0.000 6.166 -0.872) 6.227 6.534 ( 0.000 3.196 1.364) 3.475 6.567 ( 0.000 0.120 -2.171) 2.175 6.667 ( 0.000 -6.904 1.315) 7.028 6.675 ( 0.000 -9.735 -0.132) 9.736 6.680 ( 0.000 -6.132 0.862) 6.192 6.702 ( 0.000 -4.054 -0.747) 4.122 7.302 ( 0.000 -0.025 0.241) 0.242 7.306 ( 0.000 -0.506 0.145) 0.526 7.309 ( 0.000 -0.514 0.032) 0.515 7.317 ( 0.000 -1.424 -0.473) 1.501 7.406 ( 0.000 -0.175 -0.104) 0.204 7.415 ( 0.000 -1.043 -0.957) 1.416 7.437 ( 0.000 1.060 0.735) 1.289 7.445 ( 0.000 0.293 -0.054) 0.298 7.588 ( 0.000 2.604 0.088) 2.606 7.595 ( 0.000 2.326 -0.547) 2.389 7.654 ( 0.000 -1.938 0.642) 2.042 7.664 ( 0.000 -2.452 -0.377) 2.481 7.998 ( 0.000 2.390 0.924) 2.562 8.014 ( 0.000 1.436 -0.725) 1.608 8.043 ( 0.000 -0.049 0.896) 0.897 8.057 ( 0.000 -0.660 -0.439) 0.793 8.850 ( 0.000 2.720 0.305) 2.737 8.857 ( 0.000 3.725 -0.418) 3.748 8.895 ( 0.000 -0.581 1.647) 1.746 8.930 ( 0.000 -2.080 -1.678) 2.672 9.207 ( 0.000 0.647 2.411) 2.497 9.221 ( 0.000 -1.275 1.900) 2.288 9.264 ( 0.000 0.969 -2.681) 2.851 9.271 ( 0.000 -0.304 -2.656) 2.674 9.489 ( 0.000 18.099 2.511) 18.273 9.533 ( 0.000 18.574 -1.852) 18.666 9.675 ( 0.000 0.877 2.008) 2.191 9.681 ( 0.000 0.837 4.396) 4.475 9.714 ( 0.000 3.478 -1.360) 3.734 9.790 ( 0.000 -2.588 -5.908) 6.450 9.815 ( 0.000 -10.880 2.098) 11.080 9.849 ( 0.000 -9.308 -1.111) 9.374 10.094 ( 0.000 -3.966 -0.038) 3.967 10.100 ( 0.000 1.110 0.061) 1.111 10.117 ( 0.000 5.789 0.610) 5.821 10.141 ( 0.000 10.505 -0.971) 10.550 10.216 ( 0.000 -1.430 -2.827) 3.168 10.220 ( 0.000 -2.890 -2.879) 4.079 10.358 ( 0.000 -11.254 1.969) 11.425 10.388 ( 0.000 -10.477 0.261) 10.481 10.484 ( 0.000 -1.409 0.452) 1.480 10.491 ( 0.000 -1.499 4.775) 5.005 10.534 ( 0.000 2.513 -1.090) 2.739 10.558 ( 0.000 9.074 1.403) 9.182 10.565 ( 0.000 7.914 -1.549) 8.064 10.610 ( 0.000 -0.305 -2.815) 2.831 10.701 ( 0.000 -2.827 3.648) 4.615 10.752 ( 0.000 -3.963 -1.585) 4.269 11.131 ( 0.000 6.460 0.168) 6.462 11.135 ( 0.000 6.558 -0.121) 6.559 11.268 ( 0.000 -5.437 0.843) 5.502 11.273 ( 0.000 -5.710 0.232) 5.715 11.577 ( 0.000 2.286 2.149) 3.138 11.608 ( 0.000 -0.778 -0.316) 0.840 11.636 ( 0.000 0.802 -0.456) 0.923 11.646 ( 0.000 0.210 -1.851) 1.863 12.415 ( 0.000 13.546 0.790) 13.569 12.436 ( 0.000 13.804 -1.198) 13.856 12.604 ( 0.000 6.334 -0.075) 6.335 12.606 ( 0.000 6.244 -0.237) 6.249 12.696 ( 0.000 -7.563 0.644) 7.591 12.705 ( 0.000 -6.731 -0.276) 6.737 12.802 ( 0.000 -15.205 0.668) 15.219 12.815 ( 0.000 -15.870 -0.548) 15.879 13.282 ( 0.000 42.064 0.411) 42.066 13.291 ( 0.000 40.770 -0.478) 40.772 13.806 ( 0.000 8.498 0.829) 8.538 13.824 ( 0.000 8.643 -0.861) 8.686 13.991 ( 0.000 -11.070 0.789) 11.098 14.007 ( 0.000 -11.398 -0.727) 11.422 14.129 ( 0.000 -32.111 0.328) 32.112 14.137 ( 0.000 -31.817 -0.357) 31.819 15.795 ( 0.000 14.815 1.479) 14.889 15.826 ( 0.000 14.923 -1.486) 14.997 16.108 ( 0.000 -14.231 1.815) 14.346 16.148 ( 0.000 -15.004 -1.966) 15.132 16.395 ( 0.000 4.255 1.756) 4.603 16.439 ( 0.000 5.844 -2.458) 6.340 16.682 ( 0.000 -18.773 1.836) 18.862 16.742 ( 0.000 -16.637 -4.601) 17.262 16.961 ( 0.000 -0.028 3.371) 3.371 17.012 ( 0.000 -3.869 3.122) 4.972 17.027 ( 0.000 -0.643 2.175) 2.268 17.130 ( 0.000 -7.462 -3.786) 8.368 17.812 ( 0.000 1.663 0.655) 1.787 17.832 ( 0.000 0.844 -1.221) 1.485 17.846 ( 0.000 -2.899 -0.010) 2.899 17.869 ( 0.000 -2.450 -2.243) 3.322 17.899 ( 0.000 -3.804 0.574) 3.847 17.915 ( 0.000 -3.160 -1.089) 3.342 18.018 ( 0.000 -2.151 2.327) 3.169 18.040 ( 0.000 -2.785 0.192) 2.792 18.256 ( 0.000 -2.251 -0.031) 2.252 18.261 ( 0.000 -1.856 -0.510) 1.924 18.284 ( 0.000 -5.216 1.202) 5.353 18.310 ( 0.000 -5.860 -1.189) 5.980 18.883 ( 0.000 2.800 2.122) 3.514 18.911 ( 0.000 0.229 -0.428) 0.486 18.981 ( 0.000 1.649 -0.101) 1.652 18.981 ( 0.000 1.910 -0.266) 1.929 19.081 ( 0.000 13.950 0.889) 13.978 19.107 ( 0.000 15.011 -1.474) 15.083 19.326 ( 0.000 -8.393 2.265) 8.693 19.388 ( 0.000 -10.577 -3.680) 11.199 19.788 ( 0.000 16.519 2.968) 16.783 19.848 ( 0.000 18.279 -2.834) 18.497 20.013 ( 0.000 16.227 -0.044) 16.227 20.017 ( 0.000 13.949 -0.687) 13.966 20.159 ( 0.000 -14.257 5.950) 15.449 20.263 ( 0.000 -19.179 -4.255) 19.645 20.360 ( 0.000 -15.137 0.101) 15.137 20.363 ( 0.000 -14.765 -0.293) 14.768 21.098 ( 0.000 7.664 0.708) 7.697 21.109 ( 0.000 6.670 -0.377) 6.680 21.185 ( 0.000 7.634 1.804) 7.844 21.227 ( 0.000 3.652 -2.089) 4.207 ======================= Grid point 51 (23/24) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.772 1.037 0.631) 1.439 0.701 ( 1.010 -0.436 -0.607) 1.256 0.789 ( -1.497 4.431 1.004) 4.784 0.815 ( -0.564 2.587 -1.861) 3.237 0.853 ( 0.675 1.721 -0.542) 1.927 0.870 ( 1.615 0.624 -1.829) 2.519 0.961 ( -2.110 0.484 0.981) 2.377 0.968 ( -3.211 -0.200 0.143) 3.220 1.016 ( 3.064 1.372 4.836) 5.887 1.094 ( 3.747 -1.217 -2.148) 4.487 1.135 ( 0.025 3.365 1.276) 3.599 1.160 ( 1.311 0.057 -0.207) 1.329 1.164 ( 0.885 1.169 2.072) 2.538 1.185 ( 1.758 0.686 -0.158) 1.893 1.234 ( -0.007 2.734 -2.431) 3.658 1.241 ( -0.246 -0.187 -1.076) 1.119 1.290 ( 0.225 -2.683 -0.085) 2.693 1.314 ( 0.429 -1.184 -1.864) 2.250 1.362 ( -1.191 1.332 0.811) 1.963 1.379 ( -0.930 0.377 -0.864) 1.324 1.399 ( 0.439 1.153 0.967) 1.567 1.421 ( -0.291 -1.306 -0.824) 1.571 1.437 ( 0.571 0.369 -0.387) 0.782 1.442 ( 0.629 -0.512 -1.025) 1.307 1.535 ( -1.094 3.616 0.307) 3.790 1.550 ( -0.362 3.436 -1.132) 3.635 1.614 ( -0.790 -1.674 0.583) 1.941 1.620 ( -0.277 -1.734 -0.365) 1.793 1.681 ( 2.944 1.904 1.854) 3.966 1.704 ( 2.121 2.029 -0.341) 2.955 1.713 ( 2.024 0.234 2.503) 3.227 1.742 ( 1.979 -3.832 -0.958) 4.418 1.794 ( 0.131 4.766 0.839) 4.841 1.831 ( -1.572 6.780 -1.921) 7.220 1.855 ( -1.028 0.834 3.081) 3.353 1.903 ( -1.478 0.109 0.426) 1.542 1.961 ( -2.102 0.050 -0.907) 2.290 1.984 ( -1.793 0.559 -1.186) 2.221 1.997 ( -5.697 -6.909 2.015) 9.179 2.037 ( -3.604 -3.217 -0.713) 4.883 2.053 ( -2.226 -0.742 -1.042) 2.567 2.073 ( 0.035 -0.055 -1.648) 1.649 2.136 ( -3.204 -6.004 2.951) 7.418 2.186 ( -1.757 -6.369 -1.748) 6.834 2.368 ( 2.221 3.381 2.483) 4.746 2.422 ( 1.789 3.223 -2.555) 4.485 2.486 ( 2.003 -6.574 1.880) 7.125 2.517 ( 1.112 -4.613 -1.094) 4.870 2.977 ( -2.301 3.640 0.902) 4.400 2.994 ( -2.678 4.443 -0.773) 5.245 3.032 ( -2.425 0.319 1.988) 3.152 3.075 ( -4.399 -1.511 -2.100) 5.104 3.472 ( 0.125 2.295 0.653) 2.389 3.476 ( -0.013 2.096 0.389) 2.131 3.482 ( 0.073 2.192 0.026) 2.194 3.490 ( -0.479 1.538 -0.421) 1.665 3.686 ( 4.683 4.742 1.641) 6.864 3.725 ( 4.558 2.847 -1.882) 5.694 3.778 ( 2.259 0.261 1.036) 2.499 3.812 ( 1.793 -0.327 -2.823) 3.360 3.999 ( 0.469 13.117 0.147) 13.127 4.017 ( 0.237 13.066 -1.602) 13.166 4.063 ( -0.737 11.042 1.265) 11.139 4.073 ( -1.004 11.411 0.268) 11.458 4.150 ( 1.636 -0.150 1.340) 2.120 4.173 ( 0.956 -0.484 -0.935) 1.422 4.222 ( 1.568 6.110 0.320) 6.316 4.229 ( 1.542 5.945 -0.333) 6.151 4.410 ( 0.446 -2.099 0.084) 2.148 4.413 ( 0.374 -1.025 -0.073) 1.093 4.430 ( 0.329 -5.715 0.420) 5.740 4.434 ( 0.391 -6.072 -0.072) 6.085 4.563 ( -0.513 -9.239 0.318) 9.259 4.568 ( -0.472 -10.735 -0.084) 10.746 4.606 ( 0.406 -11.169 0.460) 11.186 4.615 ( 0.199 -11.243 -0.398) 11.251 5.067 ( -1.008 3.556 0.078) 3.697 5.068 ( -1.142 3.469 -0.050) 3.652 5.203 ( -0.107 -8.907 0.174) 8.910 5.206 ( -0.094 -9.161 -0.071) 9.162 5.559 ( 0.225 1.052 0.305) 1.118 5.565 ( 0.095 0.906 -0.095) 0.916 5.572 ( 0.464 0.675 -0.189) 0.841 5.572 ( 0.468 0.871 -0.167) 1.003 6.130 ( 0.013 2.409 0.430) 2.447 6.144 ( -0.001 1.469 -0.885) 1.715 6.152 ( -0.227 1.628 0.250) 1.663 6.158 ( 0.002 0.949 -0.319) 1.001 6.311 ( 1.142 3.304 0.492) 3.531 6.314 ( 1.540 1.370 0.701) 2.177 6.330 ( 0.478 4.116 0.666) 4.197 6.365 ( 0.226 -0.081 -2.408) 2.420 6.466 ( 0.038 5.192 1.444) 5.390 6.487 ( -0.400 5.690 -0.797) 5.759 6.538 ( 0.455 3.780 1.396) 4.055 6.570 ( 0.126 1.187 -2.093) 2.410 6.661 ( -0.433 -7.473 1.312) 7.599 6.671 ( -0.361 -9.678 -0.208) 9.687 6.682 ( 0.130 -6.098 0.882) 6.163 6.701 ( -0.139 -4.404 -0.629) 4.451 7.292 ( -0.832 0.099 0.104) 0.844 7.295 ( -1.017 0.162 -0.170) 1.044 7.300 ( -0.842 -0.974 0.249) 1.311 7.305 ( -1.105 -1.343 -0.228) 1.754 7.415 ( 0.935 0.770 0.012) 1.212 7.424 ( 1.127 0.369 -0.745) 1.400 7.457 ( 1.939 0.116 0.588) 2.029 7.465 ( 1.797 -0.898 -0.128) 2.013 7.570 ( -1.735 2.712 0.021) 3.220 7.575 ( -1.824 2.426 -0.417) 3.064 7.642 ( -1.225 -2.274 0.491) 2.629 7.650 ( -1.432 -2.743 -0.279) 3.107 8.002 ( 0.421 2.208 0.719) 2.360 8.016 ( 0.135 1.571 -0.663) 1.711 8.041 ( -0.180 -0.223 0.753) 0.806 8.053 ( -0.373 -0.626 -0.417) 0.839 8.849 ( -0.044 2.856 0.303) 2.873 8.856 ( -0.142 3.686 -0.353) 3.706 8.895 ( -0.033 -0.480 1.389) 1.470 8.924 ( -0.630 -1.691 -1.412) 2.292 9.198 ( -0.772 0.829 1.934) 2.242 9.217 ( -0.352 -1.501 1.276) 2.001 9.244 ( -1.832 0.883 -1.928) 2.802 9.257 ( -1.315 -0.987 -2.042) 2.621 9.476 ( -1.011 17.786 1.796) 17.905 9.506 ( -2.119 17.313 -1.154) 17.480 9.687 ( 0.693 1.018 3.028) 3.269 9.691 ( 1.190 1.091 2.290) 2.802 9.713 ( -0.037 3.889 -0.750) 3.961 9.789 ( -0.026 -5.668 -4.645) 7.329 9.801 ( -1.388 -7.539 1.416) 7.796 9.836 ( -1.193 -9.090 -1.307) 9.261 10.097 ( 0.612 4.727 0.486) 4.791 10.124 ( 0.216 5.192 -1.451) 5.395 10.129 ( 1.699 2.084 0.497) 2.735 10.146 ( 1.030 3.511 -0.584) 3.705 10.215 ( 1.140 -2.575 0.289) 2.830 10.258 ( 1.978 -3.857 -3.602) 5.636 10.365 ( 0.717 -10.572 1.813) 10.750 10.387 ( -0.105 -9.953 0.978) 10.001 10.468 ( -0.546 0.608 2.983) 3.093 10.508 ( 0.585 -3.021 0.903) 3.207 10.520 ( -0.781 2.136 -2.334) 3.259 10.552 ( -0.500 4.572 -1.434) 4.818 10.580 ( 1.051 8.464 0.653) 8.554 10.609 ( -0.166 3.054 -1.693) 3.496 10.709 ( 0.701 -2.728 2.824) 3.989 10.746 ( -0.604 -3.522 -0.890) 3.683 11.133 ( 0.103 6.346 0.196) 6.349 11.135 ( 0.055 6.378 0.040) 6.378 11.266 ( -0.130 -5.606 0.643) 5.644 11.271 ( -0.282 -5.774 0.205) 5.784 11.589 ( 1.129 1.946 1.790) 2.876 11.615 ( 0.706 -0.670 -0.363) 1.039 11.636 ( -0.098 0.780 -0.305) 0.843 11.646 ( -0.065 0.085 -1.631) 1.635 12.420 ( 0.472 13.723 0.597) 13.745 12.437 ( 0.064 13.904 -1.005) 13.941 12.610 ( 0.580 6.309 0.014) 6.335 12.611 ( 0.549 6.360 -0.044) 6.383 12.696 ( 0.037 -7.299 0.297) 7.306 12.704 ( -0.097 -6.595 -0.469) 6.613 12.804 ( 0.179 -15.043 0.672) 15.059 12.813 ( -0.129 -15.599 -0.231) 15.601 13.284 ( 0.211 41.905 0.314) 41.907 13.292 ( 0.054 40.805 -0.438) 40.807 13.803 ( -0.293 8.442 0.678) 8.474 13.817 ( -0.631 8.580 -0.701) 8.632 13.989 ( -0.106 -10.812 0.665) 10.833 14.003 ( -0.368 -11.023 -0.630) 11.047 14.129 ( 0.010 -32.556 0.261) 32.557 14.135 ( -0.139 -32.358 -0.281) 32.360 15.802 ( 0.658 14.960 1.216) 15.023 15.827 ( 0.061 15.031 -1.200) 15.079 16.121 ( 1.147 -14.650 1.524) 14.773 16.152 ( 0.334 -15.210 -1.465) 15.284 16.400 ( 0.419 4.263 1.407) 4.508 16.434 ( -0.458 5.626 -1.935) 5.967 16.692 ( 1.007 -19.205 1.634) 19.301 16.745 ( 0.132 -18.004 -3.939) 18.431 16.972 ( 1.109 -0.694 2.526) 2.845 17.005 ( -0.495 -3.246 3.604) 4.876 17.020 ( -0.660 0.431 1.319) 1.537 17.114 ( -1.748 -6.829 -3.770) 7.994 17.823 ( 0.938 1.881 0.236) 2.115 17.832 ( 0.036 1.662 -0.718) 1.810 17.858 ( 1.091 -3.341 0.333) 3.530 17.875 ( 0.435 -1.791 -1.239) 2.220 17.897 ( -0.201 -3.670 0.725) 3.747 17.921 ( 0.641 -3.534 -1.735) 3.989 18.009 ( -0.924 -3.684 1.892) 4.243 18.029 ( -1.027 -4.258 0.000) 4.380 18.252 ( 0.547 -0.298 0.557) 0.836 18.268 ( 0.633 0.261 -1.017) 1.226 18.324 ( 3.370 -7.253 0.806) 8.039 18.341 ( 2.703 -6.610 -0.782) 7.184 18.895 ( 1.163 3.215 1.930) 3.926 18.924 ( 1.124 0.904 -0.696) 1.602 18.969 ( -0.681 2.314 0.824) 2.549 18.987 ( 0.068 0.964 -0.702) 1.195 19.047 ( -3.049 12.637 0.640) 13.016 19.069 ( -3.430 13.244 -1.267) 13.739 19.259 ( -6.080 -6.660 1.797) 9.195 19.308 ( -7.375 -8.255 -2.771) 11.411 19.788 ( 0.155 16.275 2.416) 16.454 19.838 ( -0.979 17.664 -2.357) 17.848 20.026 ( 1.297 16.019 0.070) 16.071 20.032 ( 1.337 15.501 -0.592) 15.570 20.147 ( -0.886 -13.614 4.495) 14.364 20.233 ( -2.841 -17.895 -3.925) 18.539 20.391 ( 2.605 -16.083 0.186) 16.293 20.393 ( 2.467 -15.981 0.002) 16.171 21.108 ( 0.986 8.284 0.911) 8.392 21.125 ( 1.440 7.074 -0.857) 7.270 21.185 ( 0.125 6.910 2.333) 7.294 21.232 ( 0.269 2.780 -2.191) 3.550 ======================= Grid point 52 (24/24) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 1.542 2.173 0.543) 2.720 0.725 ( 1.032 1.764 -0.947) 2.253 0.761 ( -0.898 1.626 0.942) 2.083 0.786 ( -2.337 0.612 -1.526) 2.858 0.874 ( 1.472 1.299 0.026) 1.963 0.891 ( 0.614 0.253 -1.311) 1.470 0.916 ( -1.867 -0.448 0.152) 1.926 0.923 ( -1.671 -0.647 -0.402) 1.837 1.092 ( 4.585 2.597 5.148) 7.367 1.154 ( 0.712 5.049 2.194) 5.551 1.164 ( 1.011 2.054 0.898) 2.459 1.169 ( 1.807 0.097 -0.143) 1.816 1.179 ( 0.235 4.559 -0.378) 4.581 1.213 ( -0.642 -0.514 -0.553) 0.991 1.238 ( 1.142 0.198 -0.393) 1.224 1.255 ( 1.498 2.241 -3.689) 4.569 1.293 ( 0.075 -2.942 0.147) 2.947 1.316 ( -0.017 -2.171 -1.115) 2.440 1.323 ( -2.066 1.559 -0.563) 2.649 1.343 ( -2.159 0.007 -1.131) 2.437 1.418 ( 1.059 1.159 0.388) 1.617 1.426 ( 1.475 1.112 -0.863) 2.038 1.454 ( 0.553 0.581 0.189) 0.824 1.457 ( -0.317 0.144 0.025) 0.349 1.500 ( -0.555 2.821 1.204) 3.117 1.527 ( -1.907 3.645 -1.384) 4.341 1.595 ( -0.623 -3.555 -0.063) 3.610 1.611 ( -1.448 -4.159 -1.277) 4.585 1.719 ( 0.910 2.240 2.417) 3.419 1.735 ( -0.015 3.366 0.719) 3.442 1.766 ( 3.323 0.919 0.432) 3.475 1.771 ( 1.766 -1.330 0.719) 2.325 1.793 ( 0.400 -0.311 0.433) 0.667 1.812 ( -0.756 2.148 -0.451) 2.321 1.851 ( -0.541 -2.303 1.222) 2.663 1.880 ( -3.592 -3.085 -0.139) 4.737 1.901 ( 0.037 -0.405 -0.079) 0.414 1.918 ( -1.549 -0.873 -1.256) 2.177 1.942 ( -2.646 0.033 -1.906) 3.262 1.946 ( -3.252 0.203 -1.227) 3.482 2.042 ( 0.623 0.390 1.746) 1.894 2.066 ( -1.297 -1.072 1.200) 2.067 2.113 ( 0.921 -6.275 -0.495) 6.362 2.148 ( -2.204 -7.069 -2.391) 7.781 2.418 ( 2.655 3.385 2.412) 4.932 2.446 ( 0.128 2.979 -0.121) 2.984 2.512 ( 0.788 -5.007 1.170) 5.202 2.524 ( -0.358 -4.118 0.067) 4.134 2.941 ( -1.022 3.987 0.393) 4.134 2.948 ( -1.715 4.156 -0.281) 4.504 2.999 ( -0.744 0.394 0.232) 0.873 3.010 ( -2.069 0.126 -0.825) 2.230 3.472 ( 0.037 2.421 0.159) 2.427 3.476 ( -0.303 2.281 -0.177) 2.308 3.482 ( 0.178 1.679 0.180) 1.698 3.485 ( -0.071 1.574 -0.085) 1.578 3.768 ( 3.198 3.524 1.729) 5.063 3.790 ( 1.313 3.046 0.108) 3.318 3.816 ( 1.771 -0.270 0.064) 1.792 3.836 ( 0.198 -0.069 -1.879) 1.891 4.016 ( 1.395 13.002 -0.215) 13.078 4.027 ( 0.820 12.814 -1.052) 12.883 4.047 ( -1.028 13.034 0.157) 13.075 4.048 ( -1.533 13.242 0.008) 13.330 4.178 ( 1.069 -0.924 0.469) 1.489 4.186 ( 0.225 -1.119 -0.324) 1.187 4.250 ( 1.100 7.133 0.185) 7.219 4.254 ( 0.766 7.027 -0.160) 7.070 4.418 ( 0.281 -0.254 0.074) 0.386 4.419 ( 0.179 0.354 0.040) 0.399 4.436 ( 0.225 -9.012 -0.012) 9.014 4.439 ( 0.020 -9.161 -0.281) 9.166 4.559 ( 0.139 -8.707 0.499) 8.723 4.562 ( -0.118 -9.252 0.267) 9.256 4.611 ( 0.148 -11.777 0.125) 11.779 4.615 ( -0.223 -11.890 -0.211) 11.894 5.051 ( -0.514 3.892 0.014) 3.926 5.051 ( -0.511 3.905 -0.001) 3.938 5.202 ( 0.007 -9.875 0.064) 9.875 5.203 ( -0.131 -9.972 -0.078) 9.973 5.564 ( 0.212 1.076 0.134) 1.104 5.566 ( 0.002 0.961 -0.044) 0.963 5.580 ( 0.296 0.651 -0.097) 0.721 5.580 ( 0.252 0.653 -0.128) 0.712 6.133 ( 0.365 2.292 0.338) 2.346 6.142 ( -0.411 2.093 0.001) 2.133 6.148 ( 0.148 1.106 -0.606) 1.269 6.155 ( -0.373 0.959 -0.670) 1.228 6.332 ( 0.847 4.649 0.283) 4.734 6.337 ( 0.425 5.731 -0.135) 5.748 6.349 ( 1.418 -1.365 0.830) 2.136 6.366 ( -0.310 -1.282 -0.897) 1.595 6.468 ( 0.321 4.992 0.377) 5.016 6.478 ( -0.577 5.182 -0.594) 5.248 6.550 ( 0.796 4.721 1.077) 4.907 6.565 ( -0.638 3.738 -0.467) 3.821 6.657 ( 0.066 -8.768 0.466) 8.780 6.663 ( -0.466 -9.447 -0.156) 9.460 6.686 ( 0.380 -6.086 0.549) 6.123 6.695 ( -0.441 -5.390 -0.233) 5.414 7.278 ( -0.421 0.031 -0.019) 0.423 7.279 ( -0.474 0.094 -0.087) 0.491 7.283 ( -0.728 -0.766 0.082) 1.060 7.284 ( -0.859 -1.016 -0.037) 1.331 7.442 ( 1.714 2.133 0.299) 2.753 7.451 ( 1.274 1.631 -0.557) 2.143 7.488 ( 0.539 0.743 0.120) 0.926 7.494 ( 0.448 -0.524 -0.431) 0.813 7.541 ( -0.421 1.222 0.341) 1.336 7.546 ( -0.596 1.042 0.011) 1.201 7.613 ( -1.392 -2.877 0.112) 3.198 7.617 ( -1.672 -3.105 -0.152) 3.530 8.011 ( 0.457 1.938 0.255) 2.007 8.017 ( -0.112 1.841 -0.314) 1.871 8.039 ( 0.071 -0.511 0.283) 0.588 8.045 ( -0.432 -0.542 -0.229) 0.730 8.849 ( 0.088 3.135 0.170) 3.140 8.852 ( -0.209 3.470 -0.125) 3.479 8.896 ( 0.324 -0.410 0.559) 0.766 8.908 ( -0.873 -0.869 -0.588) 1.365 9.189 ( 0.071 1.156 0.716) 1.361 9.205 ( -1.418 1.141 -0.809) 1.992 9.217 ( 0.001 -2.191 0.491) 2.245 9.231 ( -1.235 -2.063 -0.791) 2.531 9.464 ( -0.139 17.234 0.658) 17.247 9.473 ( -1.175 16.870 -0.278) 16.913 9.700 ( 0.572 2.780 1.210) 3.086 9.707 ( -0.089 2.856 0.204) 2.864 9.724 ( 1.811 -1.191 2.536) 3.336 9.764 ( -2.168 -6.556 2.440) 7.323 9.797 ( 0.625 -5.575 -3.749) 6.747 9.813 ( -1.078 -7.943 -2.098) 8.286 10.110 ( 0.655 8.650 0.519) 8.690 10.120 ( -0.409 9.261 -0.113) 9.270 10.155 ( 0.892 0.327 -0.805) 1.245 10.161 ( 0.240 0.360 -1.398) 1.463 10.249 ( 1.913 -4.088 1.254) 4.685 10.273 ( -0.405 -4.589 -0.686) 4.658 10.377 ( 0.383 -10.215 1.791) 10.378 10.383 ( -0.295 -9.848 1.849) 10.024 10.477 ( 1.577 1.371 0.779) 2.230 10.507 ( -1.025 0.768 -1.448) 1.933 10.518 ( 0.704 -2.002 -2.142) 3.016 10.536 ( -1.107 -0.474 -3.305) 3.517 10.598 ( 0.693 8.326 0.776) 8.391 10.606 ( -0.203 7.278 0.014) 7.281 10.722 ( 0.610 -2.500 1.567) 3.013 10.733 ( -0.648 -2.749 0.424) 2.856 11.135 ( 0.136 6.164 0.342) 6.175 11.136 ( 0.033 6.077 0.261) 6.083 11.264 ( -0.081 -5.859 0.308) 5.868 11.265 ( -0.218 -5.891 0.172) 5.898 11.613 ( 1.222 1.264 0.937) 1.992 11.630 ( -0.107 0.511 -0.185) 0.553 11.631 ( 0.320 -0.101 -0.258) 0.423 11.642 ( -0.413 -0.173 -1.085) 1.173 12.430 ( 0.476 13.987 0.102) 13.995 12.436 ( -0.168 14.037 -0.504) 14.047 12.621 ( 0.420 6.353 0.240) 6.371 12.622 ( 0.375 6.495 0.215) 6.509 12.698 ( 0.140 -6.804 -0.348) 6.814 12.701 ( -0.216 -6.505 -0.653) 6.541 12.807 ( 0.163 -14.806 0.591) 14.818 12.810 ( -0.169 -15.034 0.299) 15.038 13.288 ( 0.239 41.501 0.045) 41.501 13.292 ( -0.087 41.047 -0.264) 41.048 13.799 ( 0.009 8.393 0.263) 8.398 13.805 ( -0.561 8.460 -0.270) 8.483 13.989 ( 0.105 -10.519 0.264) 10.523 13.994 ( -0.455 -10.567 -0.273) 10.581 14.130 ( 0.098 -33.159 0.096) 33.159 14.133 ( -0.118 -33.106 -0.103) 33.107 15.816 ( 0.725 15.172 0.504) 15.198 15.826 ( -0.272 15.190 -0.429) 15.199 16.143 ( 1.066 -15.361 0.735) 15.416 16.155 ( -0.144 -15.546 -0.372) 15.551 16.410 ( 0.627 4.544 0.507) 4.615 16.423 ( -0.703 5.097 -0.734) 5.198 16.716 ( 1.409 -20.123 0.615) 20.182 16.739 ( -0.826 -20.074 -1.686) 20.162 16.990 ( 0.511 -1.011 2.804) 3.024 17.002 ( -0.673 1.108 0.516) 1.395 17.020 ( 1.983 -2.779 0.687) 3.482 17.069 ( -2.769 -4.947 -2.742) 6.297 17.835 ( 0.413 2.011 -0.018) 2.053 17.838 ( 0.338 2.928 -0.067) 2.948 17.870 ( 0.225 -2.310 0.260) 2.336 17.877 ( -0.407 -1.878 -0.447) 1.973 17.908 ( 1.600 -3.207 1.296) 3.811 17.931 ( -0.192 -2.656 -0.249) 2.674 17.992 ( -0.270 -7.104 -0.085) 7.110 18.006 ( -1.285 -6.768 -0.818) 6.938 18.273 ( 1.251 1.839 0.311) 2.246 18.282 ( 0.414 1.828 -0.553) 1.954 18.384 ( 2.262 -8.463 0.276) 8.765 18.389 ( 1.706 -8.029 -0.201) 8.210 18.918 ( 1.008 4.164 1.159) 4.438 18.933 ( -0.552 4.282 -0.189) 4.322 18.968 ( 0.920 0.791 0.883) 1.501 18.984 ( -0.259 0.154 -0.294) 0.421 18.997 ( -1.473 10.216 -0.076) 10.322 19.010 ( -2.221 9.180 -0.841) 9.482 19.152 ( -3.598 -3.714 0.647) 5.211 19.171 ( -5.441 -4.284 -1.082) 7.009 19.797 ( 0.771 16.083 0.959) 16.130 19.816 ( -1.214 16.612 -0.900) 16.681 20.051 ( 1.034 17.589 0.125) 17.620 20.055 ( 0.740 17.867 -0.200) 17.884 20.140 ( 0.515 -15.010 1.292) 15.075 20.174 ( -2.890 -16.446 -1.981) 16.816 20.432 ( 1.311 -17.177 0.137) 17.228 20.433 ( 1.271 -17.099 0.111) 17.146 21.129 ( 1.110 9.423 0.956) 9.536 21.142 ( -0.031 9.542 -0.167) 9.543 21.200 ( 1.476 3.338 1.004) 3.785 21.226 ( -0.987 2.112 -1.396) 2.717 =================== 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 3/22680 10.0 0.456 1.027 0.787 0.000 0.000 -0.000 3/22680 20.0 0.168 0.476 0.229 0.000 0.000 0.000 3/22680 30.0 0.119 0.441 0.143 0.000 0.000 0.000 3/22680 40.0 0.098 0.464 0.109 0.000 0.000 0.000 3/22680 50.0 0.084 0.494 0.090 0.000 0.000 0.000 3/22680 60.0 0.074 0.520 0.077 0.000 0.000 0.000 3/22680 70.0 0.067 0.541 0.069 0.000 0.000 0.000 3/22680 80.0 0.062 0.561 0.063 0.000 0.000 0.000 3/22680 90.0 0.058 0.579 0.058 0.000 0.000 0.000 3/22680 100.0 0.054 0.596 0.055 0.000 0.000 0.000 3/22680 110.0 0.052 0.611 0.052 0.000 0.000 0.000 3/22680 120.0 0.049 0.624 0.050 0.000 0.000 0.000 3/22680 130.0 0.047 0.635 0.048 0.000 0.000 0.000 3/22680 140.0 0.045 0.643 0.046 0.000 0.000 0.000 3/22680 150.0 0.044 0.649 0.045 0.000 0.000 0.000 3/22680 160.0 0.042 0.652 0.043 0.000 0.000 0.000 3/22680 170.0 0.041 0.654 0.042 0.000 0.000 0.000 3/22680 180.0 0.040 0.653 0.041 0.000 0.000 0.000 3/22680 190.0 0.039 0.651 0.040 0.000 0.000 0.000 3/22680 200.0 0.038 0.647 0.039 0.000 0.000 0.000 3/22680 210.0 0.037 0.642 0.038 0.000 0.000 0.000 3/22680 220.0 0.036 0.636 0.037 0.000 0.000 0.000 3/22680 230.0 0.035 0.629 0.036 0.000 0.000 0.000 3/22680 240.0 0.034 0.621 0.035 0.000 0.000 0.000 3/22680 250.0 0.034 0.613 0.035 0.000 0.000 0.000 3/22680 260.0 0.033 0.605 0.034 0.000 0.000 0.000 3/22680 270.0 0.032 0.596 0.033 0.000 0.000 0.000 3/22680 280.0 0.031 0.587 0.032 0.000 0.000 0.000 3/22680 290.0 0.031 0.578 0.032 0.000 0.000 0.000 3/22680 300.0 0.030 0.569 0.031 0.000 0.000 0.000 3/22680 310.0 0.030 0.560 0.030 0.000 0.000 0.000 3/22680 320.0 0.029 0.551 0.030 0.000 0.000 0.000 3/22680 330.0 0.028 0.542 0.029 0.000 0.000 0.000 3/22680 340.0 0.028 0.532 0.029 0.000 0.000 0.000 3/22680 350.0 0.027 0.524 0.028 0.000 0.000 0.000 3/22680 360.0 0.027 0.515 0.027 0.000 0.000 0.000 3/22680 370.0 0.026 0.506 0.027 0.000 0.000 0.000 3/22680 380.0 0.026 0.498 0.026 0.000 0.000 0.000 3/22680 390.0 0.025 0.489 0.026 0.000 0.000 0.000 3/22680 400.0 0.025 0.481 0.025 0.000 0.000 0.000 3/22680 410.0 0.024 0.473 0.025 0.000 0.000 0.000 3/22680 420.0 0.024 0.465 0.025 0.000 0.000 -0.000 3/22680 430.0 0.024 0.458 0.024 0.000 0.000 -0.000 3/22680 440.0 0.023 0.450 0.024 0.000 0.000 -0.000 3/22680 450.0 0.023 0.443 0.023 0.000 0.000 -0.000 3/22680 460.0 0.022 0.436 0.023 0.000 0.000 -0.000 3/22680 470.0 0.022 0.429 0.022 0.000 0.000 -0.000 3/22680 480.0 0.022 0.422 0.022 0.000 0.000 -0.000 3/22680 490.0 0.021 0.416 0.022 0.000 0.000 -0.000 3/22680 500.0 0.021 0.409 0.021 0.000 0.000 -0.000 3/22680 510.0 0.021 0.403 0.021 0.000 0.000 -0.000 3/22680 520.0 0.020 0.397 0.021 0.000 0.000 -0.000 3/22680 530.0 0.020 0.391 0.020 0.000 0.000 -0.000 3/22680 540.0 0.020 0.385 0.020 0.000 0.000 -0.000 3/22680 550.0 0.019 0.379 0.020 0.000 0.000 -0.000 3/22680 560.0 0.019 0.374 0.019 0.000 0.000 -0.000 3/22680 570.0 0.019 0.368 0.019 0.000 0.000 -0.000 3/22680 580.0 0.019 0.363 0.019 0.000 0.000 -0.000 3/22680 590.0 0.018 0.358 0.019 0.000 0.000 -0.000 3/22680 600.0 0.018 0.353 0.018 0.000 0.000 -0.000 3/22680 610.0 0.018 0.348 0.018 0.000 0.000 -0.000 3/22680 620.0 0.017 0.343 0.018 0.000 0.000 -0.000 3/22680 630.0 0.017 0.339 0.018 0.000 0.000 -0.000 3/22680 640.0 0.017 0.334 0.017 0.000 0.000 -0.000 3/22680 650.0 0.017 0.330 0.017 0.000 0.000 -0.000 3/22680 660.0 0.017 0.325 0.017 0.000 0.000 -0.000 3/22680 670.0 0.016 0.321 0.017 0.000 0.000 -0.000 3/22680 680.0 0.016 0.317 0.016 0.000 0.000 -0.000 3/22680 690.0 0.016 0.313 0.016 0.000 0.000 -0.000 3/22680 700.0 0.016 0.309 0.016 0.000 0.000 -0.000 3/22680 710.0 0.016 0.305 0.016 0.000 0.000 -0.000 3/22680 720.0 0.015 0.302 0.016 0.000 0.000 -0.000 3/22680 730.0 0.015 0.298 0.015 0.000 0.000 -0.000 3/22680 740.0 0.015 0.294 0.015 0.000 0.000 -0.000 3/22680 750.0 0.015 0.291 0.015 0.000 0.000 -0.000 3/22680 760.0 0.015 0.287 0.015 0.000 0.000 -0.000 3/22680 770.0 0.014 0.284 0.015 0.000 0.000 -0.000 3/22680 780.0 0.014 0.281 0.014 0.000 0.000 -0.000 3/22680 790.0 0.014 0.278 0.014 0.000 0.000 -0.000 3/22680 800.0 0.014 0.274 0.014 0.000 0.000 -0.000 3/22680 810.0 0.014 0.271 0.014 0.000 0.000 -0.000 3/22680 820.0 0.014 0.268 0.014 0.000 0.000 -0.000 3/22680 830.0 0.013 0.265 0.014 0.000 0.000 -0.000 3/22680 840.0 0.013 0.263 0.013 0.000 0.000 -0.000 3/22680 850.0 0.013 0.260 0.013 0.000 0.000 -0.000 3/22680 860.0 0.013 0.257 0.013 0.000 0.000 -0.000 3/22680 870.0 0.013 0.254 0.013 0.000 0.000 -0.000 3/22680 880.0 0.013 0.252 0.013 0.000 0.000 -0.000 3/22680 890.0 0.013 0.249 0.013 0.000 0.000 -0.000 3/22680 900.0 0.012 0.246 0.013 0.000 0.000 -0.000 3/22680 910.0 0.012 0.244 0.013 0.000 0.000 -0.000 3/22680 920.0 0.012 0.241 0.012 0.000 0.000 -0.000 3/22680 930.0 0.012 0.239 0.012 0.000 0.000 -0.000 3/22680 940.0 0.012 0.237 0.012 0.000 0.000 -0.000 3/22680 950.0 0.012 0.234 0.012 0.000 0.000 -0.000 3/22680 960.0 0.012 0.232 0.012 0.000 0.000 -0.000 3/22680 970.0 0.012 0.230 0.012 0.000 0.000 -0.000 3/22680 980.0 0.012 0.228 0.012 0.000 0.000 -0.000 3/22680 990.0 0.011 0.225 0.012 0.000 0.000 -0.000 3/22680 1000.0 0.011 0.223 0.011 0.000 0.000 -0.000 3/22680 Thermal conductivity related properties were written into "kappa-m573.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:53:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|