----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:32:33]------------------------- 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: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.425964790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): *1 F 0.53186505422088 0.01211700532577 0.99701663111590 18.998 2 F 0.46813494577912 0.98788299467423 0.49701663111590 18.998 3 F 0.03186505422088 0.48788299467423 0.99701663111590 18.998 4 F 0.96813494577912 0.51211700532577 0.49701663111590 18.998 *5 F 0.53642275069354 0.45018916126803 0.67579209809690 18.998 6 F 0.46357724930646 0.54981083873197 0.17579209809690 18.998 7 F 0.03642275069354 0.04981083873197 0.67579209809690 18.998 8 F 0.96357724930646 0.95018916126803 0.17579209809690 18.998 *9 F 0.55509833144227 0.21385677385068 0.22662334539165 18.998 10 F 0.44490166855773 0.78614322614932 0.72662334539165 18.998 11 F 0.05509833144227 0.28614322614932 0.22662334539165 18.998 12 F 0.94490166855773 0.71385677385068 0.72662334539165 18.998 *13 F 0.55812848199168 0.46847350850952 0.00250305489867 18.998 14 F 0.44187151800832 0.53152649149048 0.50250305489867 18.998 15 F 0.05812848199168 0.03152649149048 0.00250305489867 18.998 16 F 0.94187151800832 0.96847350850952 0.50250305489867 18.998 *17 F 0.57595468879827 0.92632374583860 0.65668228242067 18.998 18 F 0.42404531120173 0.07367625416140 0.15668228242067 18.998 *19 F 0.30673656969309 0.03999363667444 0.52326284897908 18.998 20 F 0.92404531120173 0.42632374583860 0.15668228242067 18.998 *21 F 0.56961417262528 0.66307791016188 0.45060218873576 18.998 22 F 0.43038582737472 0.33692208983812 0.95060218873576 18.998 23 F 0.06961417262528 0.83692208983812 0.45060218873576 18.998 24 F 0.93038582737472 0.16307791016188 0.95060218873576 18.998 *25 F 0.69352671269627 0.70210757388118 0.80017694366671 18.998 26 F 0.30647328730372 0.29789242611882 0.30017694366671 18.998 27 F 0.19352671269627 0.79789242611882 0.80017694366671 18.998 28 F 0.80647328730373 0.20210757388118 0.30017694366671 18.998 29 F 0.69326343030691 0.96000636332556 0.02326284897908 18.998 *30 F 0.78412366175773 0.99854563192274 0.52954058936977 18.998 31 F 0.19326343030691 0.53999363667444 0.02326284897908 18.998 32 F 0.80673656969309 0.46000636332556 0.52326284897908 18.998 *33 F 0.67651697678088 0.04882928912221 0.36985545136937 18.998 34 F 0.32348302321912 0.95117071087779 0.86985545136938 18.998 35 F 0.17651697678088 0.45117071087779 0.36985545136937 18.998 36 F 0.82348302321912 0.54882928912221 0.86985545136938 18.998 *37 F 0.68067475289020 0.31323961843018 0.57611763566395 18.998 38 F 0.31932524710980 0.68676038156982 0.07611763566395 18.998 39 F 0.18067475289020 0.18676038156982 0.57611763566395 18.998 40 F 0.81932524710980 0.81323961843018 0.07611763566395 18.998 *41 F 0.71171361702748 0.52691037196025 0.34968731016052 18.998 42 F 0.28828638297252 0.47308962803975 0.84968731016052 18.998 43 F 0.21171361702748 0.97308962803975 0.34968731016052 18.998 44 F 0.78828638297252 0.02691037196025 0.84968731016052 18.998 45 F 0.71587633824227 0.49854563192274 0.02954058936977 18.998 46 F 0.28412366175773 0.50145436807726 0.52954058936977 18.998 47 F 0.21587633824227 0.00145436807726 0.02954058936977 18.998 48 F 0.07595468879827 0.57367625416140 0.65668228242067 18.998 *49 Na 0.81402681037383 0.24256583146430 0.06426444389798 22.990 *50 Na 0.56661548592009 0.23508778227011 0.46277900393465 22.990 51 Na 0.43338451407991 0.76491221772989 0.96277900393465 22.990 52 Na 0.06661548592009 0.26491221772989 0.46277900393465 22.990 53 Na 0.93338451407991 0.73508778227011 0.96277900393465 22.990 54 Na 0.68597318962617 0.74256583146430 0.56426444389798 22.990 55 Na 0.31402681037383 0.25743416853570 0.06426444389798 22.990 56 Na 0.18597318962617 0.75743416853570 0.56426444389798 22.990 *57 Al 0.74351997229775 0.25306221857806 0.43736630035098 26.982 *58 Al 0.50712621599074 0.72874672788308 0.58892813844154 26.982 59 Al 0.49287378400926 0.27125327211692 0.08892813844154 26.982 60 Al 0.00712621599074 0.77125327211692 0.58892813844154 26.982 61 Al 0.99287378400926 0.22874672788308 0.08892813844154 26.982 62 Al 0.25648002770225 0.74693778142194 0.93736630035098 26.982 63 Al 0.24351997229775 0.24693778142194 0.43736630035098 26.982 64 Al 0.75648002770225 0.75306221857806 0.93736630035098 26.982 *65 Ba 0.86135146712906 0.73501212350105 0.32965563897688 137.327 66 Ba 0.13864853287094 0.26498787649895 0.82965563897688 137.327 67 Ba 0.36135146712907 0.76498787649895 0.32965563897688 137.327 68 Ba 0.63864853287094 0.23501212350105 0.82965563897688 137.327 *69 Ba 0.88945132868888 0.24013612281565 0.69769608452906 137.327 70 Ba 0.61054867131112 0.74013612281565 0.19769608452906 137.327 71 Ba 0.38945132868888 0.25986387718435 0.69769608452906 137.327 72 Ba 0.11054867131112 0.75986387718435 0.19769608452906 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.425964790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): *1 F 0.53186505422088 0.01211700532577 0.99701663111590 18.998 > 1 2 F 0.46813494577912 0.98788299467423 0.49701663111590 18.998 > 2 3 F 0.03186505422088 0.48788299467423 0.99701663111590 18.998 > 3 4 F 0.96813494577912 0.51211700532577 0.49701663111590 18.998 > 4 *5 F 0.53642275069354 0.45018916126803 0.67579209809690 18.998 > 5 6 F 0.46357724930646 0.54981083873197 0.17579209809690 18.998 > 6 7 F 0.03642275069354 0.04981083873197 0.67579209809690 18.998 > 7 8 F 0.96357724930646 0.95018916126803 0.17579209809690 18.998 > 8 *9 F 0.55509833144227 0.21385677385068 0.22662334539165 18.998 > 9 10 F 0.44490166855773 0.78614322614932 0.72662334539165 18.998 > 10 11 F 0.05509833144227 0.28614322614932 0.22662334539165 18.998 > 11 12 F 0.94490166855773 0.71385677385068 0.72662334539165 18.998 > 12 *13 F 0.55812848199168 0.46847350850952 0.00250305489867 18.998 > 13 14 F 0.44187151800832 0.53152649149048 0.50250305489867 18.998 > 14 15 F 0.05812848199168 0.03152649149048 0.00250305489867 18.998 > 15 16 F 0.94187151800832 0.96847350850952 0.50250305489867 18.998 > 16 *17 F 0.57595468879827 0.92632374583860 0.65668228242067 18.998 > 17 18 F 0.42404531120173 0.07367625416140 0.15668228242067 18.998 > 18 *19 F 0.30673656969309 0.03999363667444 0.52326284897908 18.998 > 19 20 F 0.92404531120173 0.42632374583860 0.15668228242067 18.998 > 20 *21 F 0.56961417262528 0.66307791016188 0.45060218873576 18.998 > 21 22 F 0.43038582737472 0.33692208983812 0.95060218873576 18.998 > 22 23 F 0.06961417262528 0.83692208983812 0.45060218873576 18.998 > 23 24 F 0.93038582737472 0.16307791016188 0.95060218873576 18.998 > 24 *25 F 0.69352671269627 0.70210757388118 0.80017694366671 18.998 > 25 26 F 0.30647328730372 0.29789242611882 0.30017694366671 18.998 > 26 27 F 0.19352671269627 0.79789242611882 0.80017694366671 18.998 > 27 28 F 0.80647328730373 0.20210757388118 0.30017694366671 18.998 > 28 29 F 0.69326343030691 0.96000636332556 0.02326284897908 18.998 > 29 *30 F 0.78412366175773 0.99854563192274 0.52954058936977 18.998 > 30 31 F 0.19326343030691 0.53999363667444 0.02326284897908 18.998 > 31 32 F 0.80673656969309 0.46000636332556 0.52326284897908 18.998 > 32 *33 F 0.67651697678088 0.04882928912221 0.36985545136937 18.998 > 33 34 F 0.32348302321912 0.95117071087779 0.86985545136938 18.998 > 34 35 F 0.17651697678088 0.45117071087779 0.36985545136937 18.998 > 35 36 F 0.82348302321912 0.54882928912221 0.86985545136938 18.998 > 36 *37 F 0.68067475289020 0.31323961843018 0.57611763566395 18.998 > 37 38 F 0.31932524710980 0.68676038156982 0.07611763566395 18.998 > 38 39 F 0.18067475289020 0.18676038156982 0.57611763566395 18.998 > 39 40 F 0.81932524710980 0.81323961843018 0.07611763566395 18.998 > 40 *41 F 0.71171361702748 0.52691037196025 0.34968731016052 18.998 > 41 42 F 0.28828638297252 0.47308962803975 0.84968731016052 18.998 > 42 43 F 0.21171361702748 0.97308962803975 0.34968731016052 18.998 > 43 44 F 0.78828638297252 0.02691037196025 0.84968731016052 18.998 > 44 45 F 0.71587633824227 0.49854563192274 0.02954058936977 18.998 > 45 46 F 0.28412366175773 0.50145436807726 0.52954058936977 18.998 > 46 47 F 0.21587633824227 0.00145436807726 0.02954058936977 18.998 > 47 48 F 0.07595468879827 0.57367625416140 0.65668228242067 18.998 > 48 *49 Na 0.81402681037383 0.24256583146430 0.06426444389798 22.990 > 49 *50 Na 0.56661548592009 0.23508778227011 0.46277900393465 22.990 > 50 51 Na 0.43338451407991 0.76491221772989 0.96277900393465 22.990 > 51 52 Na 0.06661548592009 0.26491221772989 0.46277900393465 22.990 > 52 53 Na 0.93338451407991 0.73508778227011 0.96277900393465 22.990 > 53 54 Na 0.68597318962617 0.74256583146430 0.56426444389798 22.990 > 54 55 Na 0.31402681037383 0.25743416853570 0.06426444389798 22.990 > 55 56 Na 0.18597318962617 0.75743416853570 0.56426444389798 22.990 > 56 *57 Al 0.74351997229775 0.25306221857806 0.43736630035098 26.982 > 57 *58 Al 0.50712621599074 0.72874672788308 0.58892813844154 26.982 > 58 59 Al 0.49287378400926 0.27125327211692 0.08892813844154 26.982 > 59 60 Al 0.00712621599074 0.77125327211692 0.58892813844154 26.982 > 60 61 Al 0.99287378400926 0.22874672788308 0.08892813844154 26.982 > 61 62 Al 0.25648002770225 0.74693778142194 0.93736630035098 26.982 > 62 63 Al 0.24351997229775 0.24693778142194 0.43736630035098 26.982 > 63 64 Al 0.75648002770225 0.75306221857806 0.93736630035098 26.982 > 64 *65 Ba 0.86135146712906 0.73501212350105 0.32965563897688 137.327 > 65 66 Ba 0.13864853287094 0.26498787649895 0.82965563897688 137.327 > 66 67 Ba 0.36135146712907 0.76498787649895 0.32965563897688 137.327 > 67 68 Ba 0.63864853287094 0.23501212350105 0.82965563897688 137.327 > 68 *69 Ba 0.88945132868888 0.24013612281565 0.69769608452906 137.327 > 69 70 Ba 0.61054867131112 0.74013612281565 0.19769608452906 137.327 > 70 71 Ba 0.38945132868888 0.25986387718435 0.69769608452906 137.327 > 71 72 Ba 0.11054867131112 0.75986387718435 0.19769608452906 137.327 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.851929580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): *1 F 0.53186505422088 0.00605850266289 0.99701663111590 18.998 > 1 2 F 0.53186505422088 0.50605850266289 0.99701663111590 18.998 > 1 3 F 0.46813494577912 0.49394149733711 0.49701663111590 18.998 > 2 4 F 0.46813494577912 0.99394149733711 0.49701663111590 18.998 > 2 5 F 0.03186505422088 0.24394149733711 0.99701663111590 18.998 > 3 6 F 0.03186505422088 0.74394149733711 0.99701663111590 18.998 > 3 7 F 0.96813494577912 0.25605850266289 0.49701663111590 18.998 > 4 8 F 0.96813494577912 0.75605850266289 0.49701663111590 18.998 > 4 *9 F 0.53642275069354 0.22509458063402 0.67579209809690 18.998 > 5 10 F 0.53642275069354 0.72509458063402 0.67579209809690 18.998 > 5 11 F 0.46357724930646 0.27490541936598 0.17579209809690 18.998 > 6 12 F 0.46357724930646 0.77490541936598 0.17579209809690 18.998 > 6 13 F 0.03642275069354 0.02490541936598 0.67579209809690 18.998 > 7 14 F 0.03642275069354 0.52490541936598 0.67579209809690 18.998 > 7 15 F 0.96357724930646 0.47509458063402 0.17579209809690 18.998 > 8 16 F 0.96357724930646 0.97509458063402 0.17579209809690 18.998 > 8 *17 F 0.55509833144227 0.10692838692534 0.22662334539165 18.998 > 9 18 F 0.55509833144227 0.60692838692534 0.22662334539165 18.998 > 9 19 F 0.44490166855773 0.39307161307466 0.72662334539165 18.998 > 10 20 F 0.44490166855773 0.89307161307466 0.72662334539165 18.998 > 10 21 F 0.05509833144227 0.14307161307466 0.22662334539165 18.998 > 11 22 F 0.05509833144227 0.64307161307466 0.22662334539165 18.998 > 11 23 F 0.94490166855773 0.35692838692534 0.72662334539165 18.998 > 12 24 F 0.94490166855773 0.85692838692534 0.72662334539165 18.998 > 12 *25 F 0.55812848199168 0.23423675425476 0.00250305489867 18.998 > 13 26 F 0.55812848199168 0.73423675425476 0.00250305489867 18.998 > 13 27 F 0.44187151800832 0.26576324574524 0.50250305489867 18.998 > 14 28 F 0.44187151800832 0.76576324574524 0.50250305489867 18.998 > 14 29 F 0.05812848199168 0.01576324574524 0.00250305489867 18.998 > 15 30 F 0.05812848199168 0.51576324574524 0.00250305489867 18.998 > 15 31 F 0.94187151800832 0.48423675425476 0.50250305489867 18.998 > 16 32 F 0.94187151800832 0.98423675425476 0.50250305489867 18.998 > 16 *33 F 0.57595468879827 0.46316187291930 0.65668228242067 18.998 > 17 34 F 0.57595468879827 0.96316187291930 0.65668228242067 18.998 > 17 35 F 0.42404531120173 0.03683812708070 0.15668228242067 18.998 > 18 36 F 0.42404531120173 0.53683812708070 0.15668228242067 18.998 > 18 *37 F 0.30673656969309 0.01999681833722 0.52326284897908 18.998 > 19 38 F 0.30673656969309 0.51999681833722 0.52326284897908 18.998 > 19 39 F 0.92404531120173 0.21316187291930 0.15668228242067 18.998 > 20 40 F 0.92404531120173 0.71316187291930 0.15668228242067 18.998 > 20 *41 F 0.56961417262528 0.33153895508094 0.45060218873576 18.998 > 21 42 F 0.56961417262528 0.83153895508094 0.45060218873576 18.998 > 21 43 F 0.43038582737472 0.16846104491906 0.95060218873576 18.998 > 22 44 F 0.43038582737472 0.66846104491906 0.95060218873576 18.998 > 22 45 F 0.06961417262528 0.41846104491906 0.45060218873576 18.998 > 23 46 F 0.06961417262528 0.91846104491906 0.45060218873576 18.998 > 23 47 F 0.93038582737472 0.08153895508094 0.95060218873576 18.998 > 24 48 F 0.93038582737472 0.58153895508094 0.95060218873576 18.998 > 24 *49 F 0.69352671269627 0.35105378694059 0.80017694366671 18.998 > 25 50 F 0.69352671269627 0.85105378694059 0.80017694366671 18.998 > 25 51 F 0.30647328730372 0.14894621305941 0.30017694366671 18.998 > 26 52 F 0.30647328730372 0.64894621305941 0.30017694366671 18.998 > 26 53 F 0.19352671269627 0.39894621305941 0.80017694366671 18.998 > 27 54 F 0.19352671269627 0.89894621305941 0.80017694366671 18.998 > 27 55 F 0.80647328730373 0.10105378694059 0.30017694366671 18.998 > 28 56 F 0.80647328730373 0.60105378694059 0.30017694366671 18.998 > 28 57 F 0.69326343030691 0.48000318166278 0.02326284897908 18.998 > 29 58 F 0.69326343030691 0.98000318166278 0.02326284897908 18.998 > 29 *59 F 0.78412366175773 0.49927281596137 0.52954058936977 18.998 > 30 60 F 0.78412366175773 0.99927281596137 0.52954058936977 18.998 > 30 61 F 0.19326343030691 0.26999681833722 0.02326284897908 18.998 > 31 62 F 0.19326343030691 0.76999681833722 0.02326284897908 18.998 > 31 63 F 0.80673656969309 0.23000318166278 0.52326284897908 18.998 > 32 64 F 0.80673656969309 0.73000318166278 0.52326284897908 18.998 > 32 *65 F 0.67651697678088 0.02441464456111 0.36985545136937 18.998 > 33 66 F 0.67651697678088 0.52441464456111 0.36985545136937 18.998 > 33 67 F 0.32348302321912 0.47558535543889 0.86985545136938 18.998 > 34 68 F 0.32348302321912 0.97558535543889 0.86985545136938 18.998 > 34 69 F 0.17651697678088 0.22558535543889 0.36985545136937 18.998 > 35 70 F 0.17651697678088 0.72558535543889 0.36985545136937 18.998 > 35 71 F 0.82348302321912 0.27441464456111 0.86985545136938 18.998 > 36 72 F 0.82348302321912 0.77441464456111 0.86985545136938 18.998 > 36 *73 F 0.68067475289020 0.15661980921509 0.57611763566395 18.998 > 37 74 F 0.68067475289020 0.65661980921509 0.57611763566395 18.998 > 37 75 F 0.31932524710980 0.34338019078491 0.07611763566395 18.998 > 38 76 F 0.31932524710980 0.84338019078491 0.07611763566395 18.998 > 38 77 F 0.18067475289020 0.09338019078491 0.57611763566395 18.998 > 39 78 F 0.18067475289020 0.59338019078491 0.57611763566395 18.998 > 39 79 F 0.81932524710980 0.40661980921509 0.07611763566395 18.998 > 40 80 F 0.81932524710980 0.90661980921509 0.07611763566395 18.998 > 40 *81 F 0.71171361702748 0.26345518598012 0.34968731016052 18.998 > 41 82 F 0.71171361702748 0.76345518598012 0.34968731016052 18.998 > 41 83 F 0.28828638297252 0.23654481401988 0.84968731016052 18.998 > 42 84 F 0.28828638297252 0.73654481401988 0.84968731016052 18.998 > 42 85 F 0.21171361702748 0.48654481401988 0.34968731016052 18.998 > 43 86 F 0.21171361702748 0.98654481401988 0.34968731016052 18.998 > 43 87 F 0.78828638297252 0.01345518598012 0.84968731016052 18.998 > 44 88 F 0.78828638297252 0.51345518598012 0.84968731016052 18.998 > 44 89 F 0.71587633824227 0.24927281596137 0.02954058936977 18.998 > 45 90 F 0.71587633824227 0.74927281596137 0.02954058936977 18.998 > 45 91 F 0.28412366175773 0.25072718403863 0.52954058936977 18.998 > 46 92 F 0.28412366175773 0.75072718403863 0.52954058936977 18.998 > 46 93 F 0.21587633824227 0.00072718403863 0.02954058936977 18.998 > 47 94 F 0.21587633824227 0.50072718403863 0.02954058936977 18.998 > 47 95 F 0.07595468879827 0.28683812708070 0.65668228242067 18.998 > 48 96 F 0.07595468879827 0.78683812708070 0.65668228242067 18.998 > 48 *97 Na 0.81402681037383 0.12128291573215 0.06426444389798 22.990 > 49 98 Na 0.81402681037383 0.62128291573215 0.06426444389798 22.990 > 49 *99 Na 0.56661548592009 0.11754389113506 0.46277900393465 22.990 > 50 100 Na 0.56661548592009 0.61754389113506 0.46277900393465 22.990 > 50 101 Na 0.43338451407991 0.38245610886494 0.96277900393465 22.990 > 51 102 Na 0.43338451407991 0.88245610886494 0.96277900393465 22.990 > 51 103 Na 0.06661548592009 0.13245610886494 0.46277900393465 22.990 > 52 104 Na 0.06661548592009 0.63245610886494 0.46277900393465 22.990 > 52 105 Na 0.93338451407991 0.36754389113506 0.96277900393465 22.990 > 53 106 Na 0.93338451407991 0.86754389113506 0.96277900393465 22.990 > 53 107 Na 0.68597318962617 0.37128291573215 0.56426444389798 22.990 > 54 108 Na 0.68597318962617 0.87128291573215 0.56426444389798 22.990 > 54 109 Na 0.31402681037383 0.12871708426785 0.06426444389798 22.990 > 55 110 Na 0.31402681037383 0.62871708426785 0.06426444389798 22.990 > 55 111 Na 0.18597318962617 0.37871708426785 0.56426444389798 22.990 > 56 112 Na 0.18597318962617 0.87871708426785 0.56426444389798 22.990 > 56 *113 Al 0.74351997229775 0.12653110928903 0.43736630035098 26.982 > 57 114 Al 0.74351997229775 0.62653110928903 0.43736630035098 26.982 > 57 *115 Al 0.50712621599074 0.36437336394154 0.58892813844154 26.982 > 58 116 Al 0.50712621599074 0.86437336394154 0.58892813844154 26.982 > 58 117 Al 0.49287378400926 0.13562663605846 0.08892813844154 26.982 > 59 118 Al 0.49287378400926 0.63562663605846 0.08892813844154 26.982 > 59 119 Al 0.00712621599074 0.38562663605846 0.58892813844154 26.982 > 60 120 Al 0.00712621599074 0.88562663605846 0.58892813844154 26.982 > 60 121 Al 0.99287378400926 0.11437336394154 0.08892813844154 26.982 > 61 122 Al 0.99287378400926 0.61437336394154 0.08892813844154 26.982 > 61 123 Al 0.25648002770225 0.37346889071097 0.93736630035098 26.982 > 62 124 Al 0.25648002770225 0.87346889071097 0.93736630035098 26.982 > 62 125 Al 0.24351997229775 0.12346889071097 0.43736630035098 26.982 > 63 126 Al 0.24351997229775 0.62346889071097 0.43736630035098 26.982 > 63 127 Al 0.75648002770225 0.37653110928903 0.93736630035098 26.982 > 64 128 Al 0.75648002770225 0.87653110928903 0.93736630035098 26.982 > 64 *129 Ba 0.86135146712906 0.36750606175052 0.32965563897688 137.327 > 65 130 Ba 0.86135146712906 0.86750606175052 0.32965563897688 137.327 > 65 131 Ba 0.13864853287094 0.13249393824948 0.82965563897688 137.327 > 66 132 Ba 0.13864853287094 0.63249393824948 0.82965563897688 137.327 > 66 133 Ba 0.36135146712907 0.38249393824948 0.32965563897688 137.327 > 67 134 Ba 0.36135146712907 0.88249393824948 0.32965563897688 137.327 > 67 135 Ba 0.63864853287094 0.11750606175052 0.82965563897688 137.327 > 68 136 Ba 0.63864853287094 0.61750606175052 0.82965563897688 137.327 > 68 *137 Ba 0.88945132868888 0.12006806140782 0.69769608452906 137.327 > 69 138 Ba 0.88945132868888 0.62006806140782 0.69769608452906 137.327 > 69 139 Ba 0.61054867131112 0.37006806140782 0.19769608452906 137.327 > 70 140 Ba 0.61054867131112 0.87006806140782 0.19769608452906 137.327 > 70 141 Ba 0.38945132868888 0.12993193859218 0.69769608452906 137.327 > 71 142 Ba 0.38945132868888 0.62993193859218 0.69769608452906 137.327 > 71 143 Ba 0.11054867131112 0.37993193859218 0.19769608452906 137.327 > 72 144 Ba 0.11054867131112 0.87993193859218 0.19769608452906 137.327 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1330384 0.0000000 0.0000000 0.0000000 2.1488659 0.0000000 0.0000000 0.0000000 2.1623390 -------------------------- Born effective charges -------------------------- 1 F -1.0416873 0.1032998 0.0924747 0.0771206 -1.0934806 0.0242623 0.0870723 0.0114813 -1.0145089 2 F -1.0416873 0.1032998 -0.0924747 0.0771206 -1.0934806 -0.0242623 -0.0870723 -0.0114813 -1.0145089 3 F -1.0416873 -0.1032998 0.0924747 -0.0771206 -1.0934806 -0.0242623 0.0870723 -0.0114813 -1.0145089 4 F -1.0416873 -0.1032998 -0.0924747 -0.0771206 -1.0934806 0.0242623 -0.0870723 0.0114813 -1.0145089 5 F -1.1677497 0.1469730 -0.1749403 0.1727766 -1.1597402 0.2635981 -0.1863596 0.2645624 -0.9931734 6 F -1.1677497 0.1469730 0.1749403 0.1727766 -1.1597402 -0.2635981 0.1863596 -0.2645624 -0.9931734 7 F -1.1677497 -0.1469730 -0.1749403 -0.1727766 -1.1597402 -0.2635981 -0.1863596 -0.2645624 -0.9931734 8 F -1.1677497 -0.1469730 0.1749403 -0.1727766 -1.1597402 0.2635981 0.1863596 0.2645624 -0.9931734 9 F -0.9455469 0.1041602 -0.1914567 0.0928087 -1.1792376 0.0511090 -0.1710770 0.0326004 -1.0180078 10 F -0.9455469 0.1041602 0.1914567 0.0928087 -1.1792376 -0.0511090 0.1710770 -0.0326004 -1.0180078 11 F -0.9455469 -0.1041602 -0.1914567 -0.0928087 -1.1792376 -0.0511090 -0.1710770 -0.0326004 -1.0180078 12 F -0.9455469 -0.1041602 0.1914567 -0.0928087 -1.1792376 0.0511090 0.1710770 0.0326004 -1.0180078 13 F -1.1157884 -0.1286483 0.1994937 -0.1090977 -1.0670820 -0.2148430 0.1740510 -0.2133336 -1.1556725 14 F -1.1157884 -0.1286483 -0.1994937 -0.1090977 -1.0670820 0.2148430 -0.1740510 0.2133336 -1.1556725 15 F -1.1157884 0.1286483 0.1994937 0.1090977 -1.0670820 0.2148430 0.1740510 0.2133336 -1.1556725 16 F -1.1157884 0.1286483 -0.1994937 0.1090977 -1.0670820 -0.2148430 -0.1740510 -0.2133336 -1.1556725 17 F -1.1174621 -0.2619105 -0.2115177 -0.2710686 -1.0914217 -0.2437232 -0.2373729 -0.2584070 -1.0014811 18 F -1.1174621 -0.2619105 0.2115177 -0.2710686 -1.0914217 0.2437232 0.2373729 0.2584070 -1.0014811 19 F -1.1210804 0.1365457 -0.2037341 0.1172626 -1.0772390 -0.1975383 -0.1780794 -0.1925197 -1.1488259 20 F -1.1174621 0.2619105 0.2115177 0.2710686 -1.0914217 -0.2437232 0.2373729 -0.2584070 -1.0014811 21 F -1.0365449 0.0289895 0.3236935 0.0242073 -0.8492145 -0.0116241 0.3207200 -0.0216085 -1.3784900 22 F -1.0365449 0.0289895 -0.3236935 0.0242073 -0.8492145 0.0116241 -0.3207200 0.0216085 -1.3784900 23 F -1.0365449 -0.0289895 0.3236935 -0.0242073 -0.8492145 0.0116241 0.3207200 0.0216085 -1.3784900 24 F -1.0365449 -0.0289895 -0.3236935 -0.0242073 -0.8492145 -0.0116241 -0.3207200 -0.0216085 -1.3784900 25 F -0.9502934 -0.1033351 -0.1901137 -0.1139151 -1.1811128 -0.0445960 -0.1675979 -0.0213103 -1.0129695 26 F -0.9502934 -0.1033351 0.1901137 -0.1139151 -1.1811128 0.0445960 0.1675979 0.0213103 -1.0129695 27 F -0.9502934 0.1033351 -0.1901137 0.1139151 -1.1811128 0.0445960 -0.1675979 0.0213103 -1.0129695 28 F -0.9502934 0.1033351 0.1901137 0.1139151 -1.1811128 -0.0445960 0.1675979 -0.0213103 -1.0129695 29 F -1.1210804 0.1365457 0.2037341 0.1172626 -1.0772390 0.1975383 0.1780794 0.1925197 -1.1488259 30 F -1.0385147 0.1095568 -0.0796199 0.0826438 -1.0925758 -0.0284415 -0.0722622 -0.0244109 -1.0148064 31 F -1.1210804 -0.1365457 0.2037341 -0.1172626 -1.0772390 -0.1975383 0.1780794 -0.1925197 -1.1488259 32 F -1.1210804 -0.1365457 -0.2037341 -0.1172626 -1.0772390 0.1975383 -0.1780794 0.1925197 -1.1488259 33 F -1.1136319 -0.2582328 -0.2036537 -0.2678073 -1.0957688 -0.2343577 -0.2272190 -0.2510273 -0.9893175 34 F -1.1136319 -0.2582328 0.2036537 -0.2678073 -1.0957688 0.2343577 0.2272190 0.2510273 -0.9893175 35 F -1.1136319 0.2582328 -0.2036537 0.2678073 -1.0957688 0.2343577 -0.2272190 0.2510273 -0.9893175 36 F -1.1136319 0.2582328 0.2036537 0.2678073 -1.0957688 -0.2343577 0.2272190 -0.2510273 -0.9893175 37 F -1.0406972 0.0190438 0.3192010 0.0175957 -0.8473588 -0.0079727 0.3215521 -0.0145577 -1.3694814 38 F -1.0406972 0.0190438 -0.3192010 0.0175957 -0.8473588 0.0079727 -0.3215521 0.0145577 -1.3694814 39 F -1.0406972 -0.0190438 0.3192010 -0.0175957 -0.8473588 0.0079727 0.3215521 0.0145577 -1.3694814 40 F -1.0406972 -0.0190438 -0.3192010 -0.0175957 -0.8473588 -0.0079727 -0.3215521 -0.0145577 -1.3694814 41 F -1.1622330 0.1686422 -0.1961851 0.1900934 -1.1554955 0.2678103 -0.2043849 0.2671514 -1.0052618 42 F -1.1622330 0.1686422 0.1961851 0.1900934 -1.1554955 -0.2678103 0.2043849 -0.2671514 -1.0052618 43 F -1.1622330 -0.1686422 -0.1961851 -0.1900934 -1.1554955 -0.2678103 -0.2043849 -0.2671514 -1.0052618 44 F -1.1622330 -0.1686422 0.1961851 -0.1900934 -1.1554955 0.2678103 0.2043849 0.2671514 -1.0052618 45 F -1.0385147 -0.1095568 0.0796199 -0.0826438 -1.0925758 -0.0284415 0.0722622 -0.0244109 -1.0148064 46 F -1.0385147 -0.1095568 -0.0796199 -0.0826438 -1.0925758 0.0284415 -0.0722622 0.0244109 -1.0148064 47 F -1.0385147 0.1095568 0.0796199 0.0826438 -1.0925758 0.0284415 0.0722622 0.0244109 -1.0148064 48 F -1.1174621 0.2619105 -0.2115177 0.2710686 -1.0914217 0.2437232 -0.2373729 0.2584070 -1.0014811 49 Na 1.0986051 0.0058536 0.0377580 0.0109886 1.0991385 -0.0033774 0.0308535 -0.0061476 1.1037786 50 Na 1.0955428 -0.0043996 -0.0384352 -0.0096856 1.0953510 0.0076101 -0.0280566 -0.0005675 1.1017317 51 Na 1.0955428 -0.0043996 0.0384352 -0.0096856 1.0953510 -0.0076101 0.0280566 0.0005675 1.1017317 52 Na 1.0955428 0.0043996 -0.0384352 0.0096856 1.0953510 -0.0076101 -0.0280566 0.0005675 1.1017317 53 Na 1.0955428 0.0043996 0.0384352 0.0096856 1.0953510 0.0076101 0.0280566 -0.0005675 1.1017317 54 Na 1.0986051 -0.0058536 -0.0377580 -0.0109886 1.0991385 -0.0033774 -0.0308535 -0.0061476 1.1037786 55 Na 1.0986051 -0.0058536 0.0377580 -0.0109886 1.0991385 0.0033774 0.0308535 0.0061476 1.1037786 56 Na 1.0986051 0.0058536 -0.0377580 0.0109886 1.0991385 0.0033774 -0.0308535 0.0061476 1.1037786 57 Al 2.8724806 -0.0006180 0.0170806 0.0212864 2.7889640 0.0082585 -0.0352731 0.0173344 2.6675917 58 Al 2.8704163 0.0033719 0.0127093 0.0314186 2.7836837 0.0071508 -0.0307918 0.0133572 2.6773372 59 Al 2.8704163 0.0033719 -0.0127093 0.0314186 2.7836837 -0.0071508 0.0307918 -0.0133572 2.6773372 60 Al 2.8704163 -0.0033719 0.0127093 -0.0314186 2.7836837 -0.0071508 -0.0307918 -0.0133572 2.6773372 61 Al 2.8704163 -0.0033719 -0.0127093 -0.0314186 2.7836837 0.0071508 0.0307918 0.0133572 2.6773372 62 Al 2.8724806 -0.0006180 -0.0170806 0.0212864 2.7889640 -0.0082585 0.0352731 -0.0173344 2.6675917 63 Al 2.8724806 0.0006180 0.0170806 -0.0212864 2.7889640 -0.0082585 -0.0352731 -0.0173344 2.6675917 64 Al 2.8724806 0.0006180 -0.0170806 -0.0212864 2.7889640 0.0082585 0.0352731 0.0173344 2.6675917 65 Ba 2.4440529 0.0261082 -0.0749619 0.0628989 2.5724664 -0.0015531 -0.0513449 0.0047148 2.7726989 66 Ba 2.4440529 0.0261082 0.0749619 0.0628989 2.5724664 0.0015531 0.0513449 -0.0047148 2.7726989 67 Ba 2.4440529 -0.0261082 -0.0749619 -0.0628989 2.5724664 0.0015531 -0.0513449 -0.0047148 2.7726989 68 Ba 2.4440529 -0.0261082 0.0749619 -0.0628989 2.5724664 -0.0015531 0.0513449 0.0047148 2.7726989 69 Ba 2.4701322 -0.0748377 -0.0735652 -0.0598571 2.5501235 0.0319634 -0.0565089 0.0089625 2.7788582 70 Ba 2.4701322 0.0748377 0.0735652 0.0598571 2.5501235 0.0319634 0.0565089 0.0089625 2.7788582 71 Ba 2.4701322 0.0748377 -0.0735652 0.0598571 2.5501235 -0.0319634 -0.0565089 -0.0089625 2.7788582 72 Ba 2.4701322 -0.0748377 0.0735652 -0.0598571 2.5501235 -0.0319634 0.0565089 -0.0089625 2.7788582 ---------------------------------------------------------------------------- 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: 11826 Number of blocks in projector: 11826 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 234 eigenvectors found. (2) Block: 500 / 592 (2) 220 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 69 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 220 eigenvectors found. (2) Block: 500 / 592 (2) 222 eigenvectors found. (2) Block: 592 / 592 (2) 70 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 48 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 152 (1) Compute compressed projector. (1) Use standard solver. (1) 116 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 228 eigenvectors found. (2) Block: 500 / 592 (2) 234 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 570), data: False |-- (592, 24), data: (592, 46) @ (46, 24) |-- (92, 84), data: True |-- (250, 234), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (2592, 2556), data: False |-- (2592, 116), data: (2592, 152) @ (152, 116) |-- (592, 560), data: False |-- (592, 48), data: (592, 80) @ (80, 48) |-- (92, 70), data: True |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 33), data: (500, 69) @ (69, 33) |-- (250, 214), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 562), data: False |-- (592, 30), data: (592, 60) @ (60, 30) |-- (92, 78), data: True |-- (250, 220), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 6.245 Solver_block: 200 / 2160 - Time: 5.235 Solver_block: 300 / 2160 - Time: 6.087 Solver_block: 400 / 2160 - Time: 5.427 Solver_block: 500 / 2160 - Time: 5.541 Solver_block: 600 / 2160 - Time: 4.652 Solver_block: 700 / 2160 - Time: 5.555 Solver_block: 800 / 2160 - Time: 5.647 Solver_block: 900 / 2160 - Time: 5.060 Solver_block: 1000 / 2160 - Time: 5.347 Solver_block: 1100 / 2160 - Time: 5.174 Solver_block: 1200 / 2160 - Time: 7.687 Solver_block: 1300 / 2160 - Time: 7.838 Solver_block: 1400 / 2160 - Time: 6.795 Solver_block: 1500 / 2160 - Time: 6.873 Solver_block: 1600 / 2160 - Time: 6.863 Solver_block: 1700 / 2160 - Time: 9.095 Solver_block: 1800 / 2160 - Time: 8.855 Solver_block: 1900 / 2160 - Time: 8.616 Solver_block: 2000 / 2160 - Time: 7.761 Solver_block: 2100 / 2160 - Time: 7.152 Solver_block: 2160 / 2160 - Time: 5.179 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 149.707 --------------------------------- 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: 11826 Number of blocks in projector: 11826 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 234 eigenvectors found. (2) Block: 500 / 592 (2) 220 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 69 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 220 eigenvectors found. (2) Block: 500 / 592 (2) 222 eigenvectors found. (2) Block: 592 / 592 (2) 70 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 48 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 152 (1) Compute compressed projector. (1) Use standard solver. (1) 116 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 228 eigenvectors found. (2) Block: 500 / 592 (2) 234 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 570), data: False |-- (592, 24), data: (592, 46) @ (46, 24) |-- (92, 84), data: True |-- (250, 234), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (2592, 2556), data: False |-- (2592, 116), data: (2592, 152) @ (152, 116) |-- (592, 560), data: False |-- (592, 48), data: (592, 80) @ (80, 48) |-- (92, 70), data: True |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 33), data: (500, 69) @ (69, 33) |-- (250, 214), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 562), data: False |-- (592, 30), data: (592, 60) @ (60, 30) |-- (92, 78), data: True |-- (250, 220), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 01:38:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:38:23]------------------------- 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.425964790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): 1 F 0.53186505422088 0.01211700532577 0.99701663111590 18.998 2 F 0.46813494577912 0.98788299467423 0.49701663111590 18.998 3 F 0.03186505422088 0.48788299467423 0.99701663111590 18.998 4 F 0.96813494577912 0.51211700532577 0.49701663111590 18.998 5 F 0.53642275069354 0.45018916126803 0.67579209809690 18.998 6 F 0.46357724930646 0.54981083873197 0.17579209809690 18.998 7 F 0.03642275069354 0.04981083873197 0.67579209809690 18.998 8 F 0.96357724930646 0.95018916126803 0.17579209809690 18.998 9 F 0.55509833144227 0.21385677385068 0.22662334539165 18.998 10 F 0.44490166855773 0.78614322614932 0.72662334539165 18.998 11 F 0.05509833144227 0.28614322614932 0.22662334539165 18.998 12 F 0.94490166855773 0.71385677385068 0.72662334539165 18.998 13 F 0.55812848199168 0.46847350850952 0.00250305489867 18.998 14 F 0.44187151800832 0.53152649149048 0.50250305489867 18.998 15 F 0.05812848199168 0.03152649149048 0.00250305489867 18.998 16 F 0.94187151800832 0.96847350850952 0.50250305489867 18.998 17 F 0.57595468879827 0.92632374583860 0.65668228242067 18.998 18 F 0.42404531120173 0.07367625416140 0.15668228242067 18.998 19 F 0.30673656969309 0.03999363667444 0.52326284897908 18.998 20 F 0.92404531120173 0.42632374583860 0.15668228242067 18.998 21 F 0.56961417262528 0.66307791016188 0.45060218873576 18.998 22 F 0.43038582737472 0.33692208983812 0.95060218873576 18.998 23 F 0.06961417262528 0.83692208983812 0.45060218873576 18.998 24 F 0.93038582737472 0.16307791016188 0.95060218873576 18.998 25 F 0.69352671269627 0.70210757388118 0.80017694366671 18.998 26 F 0.30647328730372 0.29789242611882 0.30017694366671 18.998 27 F 0.19352671269627 0.79789242611882 0.80017694366671 18.998 28 F 0.80647328730373 0.20210757388118 0.30017694366671 18.998 29 F 0.69326343030691 0.96000636332556 0.02326284897908 18.998 30 F 0.78412366175773 0.99854563192274 0.52954058936977 18.998 31 F 0.19326343030691 0.53999363667444 0.02326284897908 18.998 32 F 0.80673656969309 0.46000636332556 0.52326284897908 18.998 33 F 0.67651697678088 0.04882928912221 0.36985545136937 18.998 34 F 0.32348302321912 0.95117071087779 0.86985545136938 18.998 35 F 0.17651697678088 0.45117071087779 0.36985545136937 18.998 36 F 0.82348302321912 0.54882928912221 0.86985545136938 18.998 37 F 0.68067475289020 0.31323961843018 0.57611763566395 18.998 38 F 0.31932524710980 0.68676038156982 0.07611763566395 18.998 39 F 0.18067475289020 0.18676038156982 0.57611763566395 18.998 40 F 0.81932524710980 0.81323961843018 0.07611763566395 18.998 41 F 0.71171361702748 0.52691037196025 0.34968731016052 18.998 42 F 0.28828638297252 0.47308962803975 0.84968731016052 18.998 43 F 0.21171361702748 0.97308962803975 0.34968731016052 18.998 44 F 0.78828638297252 0.02691037196025 0.84968731016052 18.998 45 F 0.71587633824227 0.49854563192274 0.02954058936977 18.998 46 F 0.28412366175773 0.50145436807726 0.52954058936977 18.998 47 F 0.21587633824227 0.00145436807726 0.02954058936977 18.998 48 F 0.07595468879827 0.57367625416140 0.65668228242067 18.998 49 Na 0.81402681037383 0.24256583146430 0.06426444389798 22.990 50 Na 0.56661548592009 0.23508778227011 0.46277900393465 22.990 51 Na 0.43338451407991 0.76491221772989 0.96277900393465 22.990 52 Na 0.06661548592009 0.26491221772989 0.46277900393465 22.990 53 Na 0.93338451407991 0.73508778227011 0.96277900393465 22.990 54 Na 0.68597318962617 0.74256583146430 0.56426444389798 22.990 55 Na 0.31402681037383 0.25743416853570 0.06426444389798 22.990 56 Na 0.18597318962617 0.75743416853570 0.56426444389798 22.990 57 Al 0.74351997229775 0.25306221857806 0.43736630035098 26.982 58 Al 0.50712621599074 0.72874672788308 0.58892813844154 26.982 59 Al 0.49287378400926 0.27125327211692 0.08892813844154 26.982 60 Al 0.00712621599074 0.77125327211692 0.58892813844154 26.982 61 Al 0.99287378400926 0.22874672788308 0.08892813844154 26.982 62 Al 0.25648002770225 0.74693778142194 0.93736630035098 26.982 63 Al 0.24351997229775 0.24693778142194 0.43736630035098 26.982 64 Al 0.75648002770225 0.75306221857806 0.93736630035098 26.982 65 Ba 0.86135146712906 0.73501212350105 0.32965563897688 137.327 66 Ba 0.13864853287094 0.26498787649895 0.82965563897688 137.327 67 Ba 0.36135146712907 0.76498787649895 0.32965563897688 137.327 68 Ba 0.63864853287094 0.23501212350105 0.82965563897688 137.327 69 Ba 0.88945132868888 0.24013612281565 0.69769608452906 137.327 70 Ba 0.61054867131112 0.74013612281565 0.19769608452906 137.327 71 Ba 0.38945132868888 0.25986387718435 0.69769608452906 137.327 72 Ba 0.11054867131112 0.75986387718435 0.19769608452906 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.851929580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): 1 F 0.53186505422088 0.00605850266289 0.99701663111590 18.998 > 1 2 F 0.53186505422088 0.50605850266289 0.99701663111590 18.998 > 1 3 F 0.46813494577912 0.49394149733711 0.49701663111590 18.998 > 3 4 F 0.46813494577912 0.99394149733711 0.49701663111590 18.998 > 3 5 F 0.03186505422088 0.24394149733711 0.99701663111590 18.998 > 5 6 F 0.03186505422088 0.74394149733711 0.99701663111590 18.998 > 5 7 F 0.96813494577912 0.25605850266289 0.49701663111590 18.998 > 7 8 F 0.96813494577912 0.75605850266289 0.49701663111590 18.998 > 7 9 F 0.53642275069354 0.22509458063402 0.67579209809690 18.998 > 9 10 F 0.53642275069354 0.72509458063402 0.67579209809690 18.998 > 9 11 F 0.46357724930646 0.27490541936598 0.17579209809690 18.998 > 11 12 F 0.46357724930646 0.77490541936598 0.17579209809690 18.998 > 11 13 F 0.03642275069354 0.02490541936598 0.67579209809690 18.998 > 13 14 F 0.03642275069354 0.52490541936598 0.67579209809690 18.998 > 13 15 F 0.96357724930646 0.47509458063402 0.17579209809690 18.998 > 15 16 F 0.96357724930646 0.97509458063402 0.17579209809690 18.998 > 15 17 F 0.55509833144227 0.10692838692534 0.22662334539165 18.998 > 17 18 F 0.55509833144227 0.60692838692534 0.22662334539165 18.998 > 17 19 F 0.44490166855773 0.39307161307466 0.72662334539165 18.998 > 19 20 F 0.44490166855773 0.89307161307466 0.72662334539165 18.998 > 19 21 F 0.05509833144227 0.14307161307466 0.22662334539165 18.998 > 21 22 F 0.05509833144227 0.64307161307466 0.22662334539165 18.998 > 21 23 F 0.94490166855773 0.35692838692534 0.72662334539165 18.998 > 23 24 F 0.94490166855773 0.85692838692534 0.72662334539165 18.998 > 23 25 F 0.55812848199168 0.23423675425476 0.00250305489867 18.998 > 25 26 F 0.55812848199168 0.73423675425476 0.00250305489867 18.998 > 25 27 F 0.44187151800832 0.26576324574524 0.50250305489867 18.998 > 27 28 F 0.44187151800832 0.76576324574524 0.50250305489867 18.998 > 27 29 F 0.05812848199168 0.01576324574524 0.00250305489867 18.998 > 29 30 F 0.05812848199168 0.51576324574524 0.00250305489867 18.998 > 29 31 F 0.94187151800832 0.48423675425476 0.50250305489867 18.998 > 31 32 F 0.94187151800832 0.98423675425476 0.50250305489867 18.998 > 31 33 F 0.57595468879827 0.46316187291930 0.65668228242067 18.998 > 33 34 F 0.57595468879827 0.96316187291930 0.65668228242067 18.998 > 33 35 F 0.42404531120173 0.03683812708070 0.15668228242067 18.998 > 35 36 F 0.42404531120173 0.53683812708070 0.15668228242067 18.998 > 35 37 F 0.30673656969309 0.01999681833722 0.52326284897908 18.998 > 37 38 F 0.30673656969309 0.51999681833722 0.52326284897908 18.998 > 37 39 F 0.92404531120173 0.21316187291930 0.15668228242067 18.998 > 39 40 F 0.92404531120173 0.71316187291930 0.15668228242067 18.998 > 39 41 F 0.56961417262528 0.33153895508094 0.45060218873576 18.998 > 41 42 F 0.56961417262528 0.83153895508094 0.45060218873576 18.998 > 41 43 F 0.43038582737472 0.16846104491906 0.95060218873576 18.998 > 43 44 F 0.43038582737472 0.66846104491906 0.95060218873576 18.998 > 43 45 F 0.06961417262528 0.41846104491906 0.45060218873576 18.998 > 45 46 F 0.06961417262528 0.91846104491906 0.45060218873576 18.998 > 45 47 F 0.93038582737472 0.08153895508094 0.95060218873576 18.998 > 47 48 F 0.93038582737472 0.58153895508094 0.95060218873576 18.998 > 47 49 F 0.69352671269627 0.35105378694059 0.80017694366671 18.998 > 49 50 F 0.69352671269627 0.85105378694059 0.80017694366671 18.998 > 49 51 F 0.30647328730372 0.14894621305941 0.30017694366671 18.998 > 51 52 F 0.30647328730372 0.64894621305941 0.30017694366671 18.998 > 51 53 F 0.19352671269627 0.39894621305941 0.80017694366671 18.998 > 53 54 F 0.19352671269627 0.89894621305941 0.80017694366671 18.998 > 53 55 F 0.80647328730373 0.10105378694059 0.30017694366671 18.998 > 55 56 F 0.80647328730373 0.60105378694059 0.30017694366671 18.998 > 55 57 F 0.69326343030691 0.48000318166278 0.02326284897908 18.998 > 57 58 F 0.69326343030691 0.98000318166278 0.02326284897908 18.998 > 57 59 F 0.78412366175773 0.49927281596137 0.52954058936977 18.998 > 59 60 F 0.78412366175773 0.99927281596137 0.52954058936977 18.998 > 59 61 F 0.19326343030691 0.26999681833722 0.02326284897908 18.998 > 61 62 F 0.19326343030691 0.76999681833722 0.02326284897908 18.998 > 61 63 F 0.80673656969309 0.23000318166278 0.52326284897908 18.998 > 63 64 F 0.80673656969309 0.73000318166278 0.52326284897908 18.998 > 63 65 F 0.67651697678088 0.02441464456111 0.36985545136937 18.998 > 65 66 F 0.67651697678088 0.52441464456111 0.36985545136937 18.998 > 65 67 F 0.32348302321912 0.47558535543889 0.86985545136938 18.998 > 67 68 F 0.32348302321912 0.97558535543889 0.86985545136938 18.998 > 67 69 F 0.17651697678088 0.22558535543889 0.36985545136937 18.998 > 69 70 F 0.17651697678088 0.72558535543889 0.36985545136937 18.998 > 69 71 F 0.82348302321912 0.27441464456111 0.86985545136938 18.998 > 71 72 F 0.82348302321912 0.77441464456111 0.86985545136938 18.998 > 71 73 F 0.68067475289020 0.15661980921509 0.57611763566395 18.998 > 73 74 F 0.68067475289020 0.65661980921509 0.57611763566395 18.998 > 73 75 F 0.31932524710980 0.34338019078491 0.07611763566395 18.998 > 75 76 F 0.31932524710980 0.84338019078491 0.07611763566395 18.998 > 75 77 F 0.18067475289020 0.09338019078491 0.57611763566395 18.998 > 77 78 F 0.18067475289020 0.59338019078491 0.57611763566395 18.998 > 77 79 F 0.81932524710980 0.40661980921509 0.07611763566395 18.998 > 79 80 F 0.81932524710980 0.90661980921509 0.07611763566395 18.998 > 79 81 F 0.71171361702748 0.26345518598012 0.34968731016052 18.998 > 81 82 F 0.71171361702748 0.76345518598012 0.34968731016052 18.998 > 81 83 F 0.28828638297252 0.23654481401988 0.84968731016052 18.998 > 83 84 F 0.28828638297252 0.73654481401988 0.84968731016052 18.998 > 83 85 F 0.21171361702748 0.48654481401988 0.34968731016052 18.998 > 85 86 F 0.21171361702748 0.98654481401988 0.34968731016052 18.998 > 85 87 F 0.78828638297252 0.01345518598012 0.84968731016052 18.998 > 87 88 F 0.78828638297252 0.51345518598012 0.84968731016052 18.998 > 87 89 F 0.71587633824227 0.24927281596137 0.02954058936977 18.998 > 89 90 F 0.71587633824227 0.74927281596137 0.02954058936977 18.998 > 89 91 F 0.28412366175773 0.25072718403863 0.52954058936977 18.998 > 91 92 F 0.28412366175773 0.75072718403863 0.52954058936977 18.998 > 91 93 F 0.21587633824227 0.00072718403863 0.02954058936977 18.998 > 93 94 F 0.21587633824227 0.50072718403863 0.02954058936977 18.998 > 93 95 F 0.07595468879827 0.28683812708070 0.65668228242067 18.998 > 95 96 F 0.07595468879827 0.78683812708070 0.65668228242067 18.998 > 95 97 Na 0.81402681037383 0.12128291573215 0.06426444389798 22.990 > 97 98 Na 0.81402681037383 0.62128291573215 0.06426444389798 22.990 > 97 99 Na 0.56661548592009 0.11754389113506 0.46277900393465 22.990 > 99 100 Na 0.56661548592009 0.61754389113506 0.46277900393465 22.990 > 99 101 Na 0.43338451407991 0.38245610886494 0.96277900393465 22.990 > 101 102 Na 0.43338451407991 0.88245610886494 0.96277900393465 22.990 > 101 103 Na 0.06661548592009 0.13245610886494 0.46277900393465 22.990 > 103 104 Na 0.06661548592009 0.63245610886494 0.46277900393465 22.990 > 103 105 Na 0.93338451407991 0.36754389113506 0.96277900393465 22.990 > 105 106 Na 0.93338451407991 0.86754389113506 0.96277900393465 22.990 > 105 107 Na 0.68597318962617 0.37128291573215 0.56426444389798 22.990 > 107 108 Na 0.68597318962617 0.87128291573215 0.56426444389798 22.990 > 107 109 Na 0.31402681037383 0.12871708426785 0.06426444389798 22.990 > 109 110 Na 0.31402681037383 0.62871708426785 0.06426444389798 22.990 > 109 111 Na 0.18597318962617 0.37871708426785 0.56426444389798 22.990 > 111 112 Na 0.18597318962617 0.87871708426785 0.56426444389798 22.990 > 111 113 Al 0.74351997229775 0.12653110928903 0.43736630035098 26.982 > 113 114 Al 0.74351997229775 0.62653110928903 0.43736630035098 26.982 > 113 115 Al 0.50712621599074 0.36437336394154 0.58892813844154 26.982 > 115 116 Al 0.50712621599074 0.86437336394154 0.58892813844154 26.982 > 115 117 Al 0.49287378400926 0.13562663605846 0.08892813844154 26.982 > 117 118 Al 0.49287378400926 0.63562663605846 0.08892813844154 26.982 > 117 119 Al 0.00712621599074 0.38562663605846 0.58892813844154 26.982 > 119 120 Al 0.00712621599074 0.88562663605846 0.58892813844154 26.982 > 119 121 Al 0.99287378400926 0.11437336394154 0.08892813844154 26.982 > 121 122 Al 0.99287378400926 0.61437336394154 0.08892813844154 26.982 > 121 123 Al 0.25648002770225 0.37346889071097 0.93736630035098 26.982 > 123 124 Al 0.25648002770225 0.87346889071097 0.93736630035098 26.982 > 123 125 Al 0.24351997229775 0.12346889071097 0.43736630035098 26.982 > 125 126 Al 0.24351997229775 0.62346889071097 0.43736630035098 26.982 > 125 127 Al 0.75648002770225 0.37653110928903 0.93736630035098 26.982 > 127 128 Al 0.75648002770225 0.87653110928903 0.93736630035098 26.982 > 127 129 Ba 0.86135146712906 0.36750606175052 0.32965563897688 137.327 > 129 130 Ba 0.86135146712906 0.86750606175052 0.32965563897688 137.327 > 129 131 Ba 0.13864853287094 0.13249393824948 0.82965563897688 137.327 > 131 132 Ba 0.13864853287094 0.63249393824948 0.82965563897688 137.327 > 131 133 Ba 0.36135146712907 0.38249393824948 0.32965563897688 137.327 > 133 134 Ba 0.36135146712907 0.88249393824948 0.32965563897688 137.327 > 133 135 Ba 0.63864853287094 0.11750606175052 0.82965563897688 137.327 > 135 136 Ba 0.63864853287094 0.61750606175052 0.82965563897688 137.327 > 135 137 Ba 0.88945132868888 0.12006806140782 0.69769608452906 137.327 > 137 138 Ba 0.88945132868888 0.62006806140782 0.69769608452906 137.327 > 137 139 Ba 0.61054867131112 0.37006806140782 0.19769608452906 137.327 > 139 140 Ba 0.61054867131112 0.87006806140782 0.19769608452906 137.327 > 139 141 Ba 0.38945132868888 0.12993193859218 0.69769608452906 137.327 > 141 142 Ba 0.38945132868888 0.62993193859218 0.69769608452906 137.327 > 141 143 Ba 0.11054867131112 0.37993193859218 0.19769608452906 137.327 > 143 144 Ba 0.11054867131112 0.87993193859218 0.19769608452906 137.327 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1330384 0.0000000 0.0000000 0.0000000 2.1488659 0.0000000 0.0000000 0.0000000 2.1623390 -------------------------- Born effective charges -------------------------- 1 F -1.0416873 0.1032998 0.0924747 0.0771206 -1.0934806 0.0242623 0.0870723 0.0114813 -1.0145089 2 F -1.0416873 0.1032998 -0.0924747 0.0771206 -1.0934806 -0.0242623 -0.0870723 -0.0114813 -1.0145089 3 F -1.0416873 -0.1032998 0.0924747 -0.0771206 -1.0934806 -0.0242623 0.0870723 -0.0114813 -1.0145089 4 F -1.0416873 -0.1032998 -0.0924747 -0.0771206 -1.0934806 0.0242623 -0.0870723 0.0114813 -1.0145089 5 F -1.1677497 0.1469730 -0.1749403 0.1727766 -1.1597402 0.2635981 -0.1863596 0.2645624 -0.9931734 6 F -1.1677497 0.1469730 0.1749403 0.1727766 -1.1597402 -0.2635981 0.1863596 -0.2645624 -0.9931734 7 F -1.1677497 -0.1469730 -0.1749403 -0.1727766 -1.1597402 -0.2635981 -0.1863596 -0.2645624 -0.9931734 8 F -1.1677497 -0.1469730 0.1749403 -0.1727766 -1.1597402 0.2635981 0.1863596 0.2645624 -0.9931734 9 F -0.9455469 0.1041602 -0.1914567 0.0928087 -1.1792376 0.0511090 -0.1710770 0.0326004 -1.0180078 10 F -0.9455469 0.1041602 0.1914567 0.0928087 -1.1792376 -0.0511090 0.1710770 -0.0326004 -1.0180078 11 F -0.9455469 -0.1041602 -0.1914567 -0.0928087 -1.1792376 -0.0511090 -0.1710770 -0.0326004 -1.0180078 12 F -0.9455469 -0.1041602 0.1914567 -0.0928087 -1.1792376 0.0511090 0.1710770 0.0326004 -1.0180078 13 F -1.1157884 -0.1286483 0.1994937 -0.1090977 -1.0670820 -0.2148430 0.1740510 -0.2133336 -1.1556725 14 F -1.1157884 -0.1286483 -0.1994937 -0.1090977 -1.0670820 0.2148430 -0.1740510 0.2133336 -1.1556725 15 F -1.1157884 0.1286483 0.1994937 0.1090977 -1.0670820 0.2148430 0.1740510 0.2133336 -1.1556725 16 F -1.1157884 0.1286483 -0.1994937 0.1090977 -1.0670820 -0.2148430 -0.1740510 -0.2133336 -1.1556725 17 F -1.1174621 -0.2619105 -0.2115177 -0.2710686 -1.0914217 -0.2437232 -0.2373729 -0.2584070 -1.0014811 18 F -1.1174621 -0.2619105 0.2115177 -0.2710686 -1.0914217 0.2437232 0.2373729 0.2584070 -1.0014811 19 F -1.1210804 0.1365457 -0.2037341 0.1172626 -1.0772390 -0.1975383 -0.1780794 -0.1925197 -1.1488259 20 F -1.1174621 0.2619105 0.2115177 0.2710686 -1.0914217 -0.2437232 0.2373729 -0.2584070 -1.0014811 21 F -1.0365449 0.0289895 0.3236935 0.0242073 -0.8492145 -0.0116241 0.3207200 -0.0216085 -1.3784900 22 F -1.0365449 0.0289895 -0.3236935 0.0242073 -0.8492145 0.0116241 -0.3207200 0.0216085 -1.3784900 23 F -1.0365449 -0.0289895 0.3236935 -0.0242073 -0.8492145 0.0116241 0.3207200 0.0216085 -1.3784900 24 F -1.0365449 -0.0289895 -0.3236935 -0.0242073 -0.8492145 -0.0116241 -0.3207200 -0.0216085 -1.3784900 25 F -0.9502934 -0.1033351 -0.1901137 -0.1139151 -1.1811128 -0.0445960 -0.1675979 -0.0213103 -1.0129695 26 F -0.9502934 -0.1033351 0.1901137 -0.1139151 -1.1811128 0.0445960 0.1675979 0.0213103 -1.0129695 27 F -0.9502934 0.1033351 -0.1901137 0.1139151 -1.1811128 0.0445960 -0.1675979 0.0213103 -1.0129695 28 F -0.9502934 0.1033351 0.1901137 0.1139151 -1.1811128 -0.0445960 0.1675979 -0.0213103 -1.0129695 29 F -1.1210804 0.1365457 0.2037341 0.1172626 -1.0772390 0.1975383 0.1780794 0.1925197 -1.1488259 30 F -1.0385147 0.1095568 -0.0796199 0.0826438 -1.0925758 -0.0284415 -0.0722622 -0.0244109 -1.0148064 31 F -1.1210804 -0.1365457 0.2037341 -0.1172626 -1.0772390 -0.1975383 0.1780794 -0.1925197 -1.1488259 32 F -1.1210804 -0.1365457 -0.2037341 -0.1172626 -1.0772390 0.1975383 -0.1780794 0.1925197 -1.1488259 33 F -1.1136319 -0.2582328 -0.2036537 -0.2678073 -1.0957688 -0.2343577 -0.2272190 -0.2510273 -0.9893175 34 F -1.1136319 -0.2582328 0.2036537 -0.2678073 -1.0957688 0.2343577 0.2272190 0.2510273 -0.9893175 35 F -1.1136319 0.2582328 -0.2036537 0.2678073 -1.0957688 0.2343577 -0.2272190 0.2510273 -0.9893175 36 F -1.1136319 0.2582328 0.2036537 0.2678073 -1.0957688 -0.2343577 0.2272190 -0.2510273 -0.9893175 37 F -1.0406972 0.0190438 0.3192010 0.0175957 -0.8473588 -0.0079727 0.3215521 -0.0145577 -1.3694814 38 F -1.0406972 0.0190438 -0.3192010 0.0175957 -0.8473588 0.0079727 -0.3215521 0.0145577 -1.3694814 39 F -1.0406972 -0.0190438 0.3192010 -0.0175957 -0.8473588 0.0079727 0.3215521 0.0145577 -1.3694814 40 F -1.0406972 -0.0190438 -0.3192010 -0.0175957 -0.8473588 -0.0079727 -0.3215521 -0.0145577 -1.3694814 41 F -1.1622330 0.1686422 -0.1961851 0.1900934 -1.1554955 0.2678103 -0.2043849 0.2671514 -1.0052618 42 F -1.1622330 0.1686422 0.1961851 0.1900934 -1.1554955 -0.2678103 0.2043849 -0.2671514 -1.0052618 43 F -1.1622330 -0.1686422 -0.1961851 -0.1900934 -1.1554955 -0.2678103 -0.2043849 -0.2671514 -1.0052618 44 F -1.1622330 -0.1686422 0.1961851 -0.1900934 -1.1554955 0.2678103 0.2043849 0.2671514 -1.0052618 45 F -1.0385147 -0.1095568 0.0796199 -0.0826438 -1.0925758 -0.0284415 0.0722622 -0.0244109 -1.0148064 46 F -1.0385147 -0.1095568 -0.0796199 -0.0826438 -1.0925758 0.0284415 -0.0722622 0.0244109 -1.0148064 47 F -1.0385147 0.1095568 0.0796199 0.0826438 -1.0925758 0.0284415 0.0722622 0.0244109 -1.0148064 48 F -1.1174621 0.2619105 -0.2115177 0.2710686 -1.0914217 0.2437232 -0.2373729 0.2584070 -1.0014811 49 Na 1.0986051 0.0058536 0.0377580 0.0109886 1.0991385 -0.0033774 0.0308535 -0.0061476 1.1037786 50 Na 1.0955428 -0.0043996 -0.0384352 -0.0096856 1.0953510 0.0076101 -0.0280566 -0.0005675 1.1017317 51 Na 1.0955428 -0.0043996 0.0384352 -0.0096856 1.0953510 -0.0076101 0.0280566 0.0005675 1.1017317 52 Na 1.0955428 0.0043996 -0.0384352 0.0096856 1.0953510 -0.0076101 -0.0280566 0.0005675 1.1017317 53 Na 1.0955428 0.0043996 0.0384352 0.0096856 1.0953510 0.0076101 0.0280566 -0.0005675 1.1017317 54 Na 1.0986051 -0.0058536 -0.0377580 -0.0109886 1.0991385 -0.0033774 -0.0308535 -0.0061476 1.1037786 55 Na 1.0986051 -0.0058536 0.0377580 -0.0109886 1.0991385 0.0033774 0.0308535 0.0061476 1.1037786 56 Na 1.0986051 0.0058536 -0.0377580 0.0109886 1.0991385 0.0033774 -0.0308535 0.0061476 1.1037786 57 Al 2.8724806 -0.0006180 0.0170806 0.0212864 2.7889640 0.0082585 -0.0352731 0.0173344 2.6675917 58 Al 2.8704163 0.0033719 0.0127093 0.0314186 2.7836837 0.0071508 -0.0307918 0.0133572 2.6773372 59 Al 2.8704163 0.0033719 -0.0127093 0.0314186 2.7836837 -0.0071508 0.0307918 -0.0133572 2.6773372 60 Al 2.8704163 -0.0033719 0.0127093 -0.0314186 2.7836837 -0.0071508 -0.0307918 -0.0133572 2.6773372 61 Al 2.8704163 -0.0033719 -0.0127093 -0.0314186 2.7836837 0.0071508 0.0307918 0.0133572 2.6773372 62 Al 2.8724806 -0.0006180 -0.0170806 0.0212864 2.7889640 -0.0082585 0.0352731 -0.0173344 2.6675917 63 Al 2.8724806 0.0006180 0.0170806 -0.0212864 2.7889640 -0.0082585 -0.0352731 -0.0173344 2.6675917 64 Al 2.8724806 0.0006180 -0.0170806 -0.0212864 2.7889640 0.0082585 0.0352731 0.0173344 2.6675917 65 Ba 2.4440529 0.0261082 -0.0749619 0.0628989 2.5724664 -0.0015531 -0.0513449 0.0047148 2.7726989 66 Ba 2.4440529 0.0261082 0.0749619 0.0628989 2.5724664 0.0015531 0.0513449 -0.0047148 2.7726989 67 Ba 2.4440529 -0.0261082 -0.0749619 -0.0628989 2.5724664 0.0015531 -0.0513449 -0.0047148 2.7726989 68 Ba 2.4440529 -0.0261082 0.0749619 -0.0628989 2.5724664 -0.0015531 0.0513449 0.0047148 2.7726989 69 Ba 2.4701322 -0.0748377 -0.0735652 -0.0598571 2.5501235 0.0319634 -0.0565089 0.0089625 2.7788582 70 Ba 2.4701322 0.0748377 0.0735652 0.0598571 2.5501235 0.0319634 0.0565089 0.0089625 2.7788582 71 Ba 2.4701322 0.0748377 -0.0735652 0.0598571 2.5501235 -0.0319634 -0.0565089 -0.0089625 2.7788582 72 Ba 2.4701322 -0.0748377 0.0735652 -0.0598571 2.5501235 -0.0319634 0.0565089 -0.0089625 2.7788582 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 99, 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[ 113, 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[ 115, 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[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 137, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) 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 01:40:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:32]------------------------- 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.425964790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): 1 F 0.53186505422088 0.01211700532577 0.99701663111590 18.998 2 F 0.46813494577912 0.98788299467423 0.49701663111590 18.998 3 F 0.03186505422088 0.48788299467423 0.99701663111590 18.998 4 F 0.96813494577912 0.51211700532577 0.49701663111590 18.998 5 F 0.53642275069354 0.45018916126803 0.67579209809690 18.998 6 F 0.46357724930646 0.54981083873197 0.17579209809690 18.998 7 F 0.03642275069354 0.04981083873197 0.67579209809690 18.998 8 F 0.96357724930646 0.95018916126803 0.17579209809690 18.998 9 F 0.55509833144227 0.21385677385068 0.22662334539165 18.998 10 F 0.44490166855773 0.78614322614932 0.72662334539165 18.998 11 F 0.05509833144227 0.28614322614932 0.22662334539165 18.998 12 F 0.94490166855773 0.71385677385068 0.72662334539165 18.998 13 F 0.55812848199168 0.46847350850952 0.00250305489867 18.998 14 F 0.44187151800832 0.53152649149048 0.50250305489867 18.998 15 F 0.05812848199168 0.03152649149048 0.00250305489867 18.998 16 F 0.94187151800832 0.96847350850952 0.50250305489867 18.998 17 F 0.57595468879827 0.92632374583860 0.65668228242067 18.998 18 F 0.42404531120173 0.07367625416140 0.15668228242067 18.998 19 F 0.30673656969309 0.03999363667444 0.52326284897908 18.998 20 F 0.92404531120173 0.42632374583860 0.15668228242067 18.998 21 F 0.56961417262528 0.66307791016188 0.45060218873576 18.998 22 F 0.43038582737472 0.33692208983812 0.95060218873576 18.998 23 F 0.06961417262528 0.83692208983812 0.45060218873576 18.998 24 F 0.93038582737472 0.16307791016188 0.95060218873576 18.998 25 F 0.69352671269627 0.70210757388118 0.80017694366671 18.998 26 F 0.30647328730372 0.29789242611882 0.30017694366671 18.998 27 F 0.19352671269627 0.79789242611882 0.80017694366671 18.998 28 F 0.80647328730373 0.20210757388118 0.30017694366671 18.998 29 F 0.69326343030691 0.96000636332556 0.02326284897908 18.998 30 F 0.78412366175773 0.99854563192274 0.52954058936977 18.998 31 F 0.19326343030691 0.53999363667444 0.02326284897908 18.998 32 F 0.80673656969309 0.46000636332556 0.52326284897908 18.998 33 F 0.67651697678088 0.04882928912221 0.36985545136937 18.998 34 F 0.32348302321912 0.95117071087779 0.86985545136938 18.998 35 F 0.17651697678088 0.45117071087779 0.36985545136937 18.998 36 F 0.82348302321912 0.54882928912221 0.86985545136938 18.998 37 F 0.68067475289020 0.31323961843018 0.57611763566395 18.998 38 F 0.31932524710980 0.68676038156982 0.07611763566395 18.998 39 F 0.18067475289020 0.18676038156982 0.57611763566395 18.998 40 F 0.81932524710980 0.81323961843018 0.07611763566395 18.998 41 F 0.71171361702748 0.52691037196025 0.34968731016052 18.998 42 F 0.28828638297252 0.47308962803975 0.84968731016052 18.998 43 F 0.21171361702748 0.97308962803975 0.34968731016052 18.998 44 F 0.78828638297252 0.02691037196025 0.84968731016052 18.998 45 F 0.71587633824227 0.49854563192274 0.02954058936977 18.998 46 F 0.28412366175773 0.50145436807726 0.52954058936977 18.998 47 F 0.21587633824227 0.00145436807726 0.02954058936977 18.998 48 F 0.07595468879827 0.57367625416140 0.65668228242067 18.998 49 Na 0.81402681037383 0.24256583146430 0.06426444389798 22.990 50 Na 0.56661548592009 0.23508778227011 0.46277900393465 22.990 51 Na 0.43338451407991 0.76491221772989 0.96277900393465 22.990 52 Na 0.06661548592009 0.26491221772989 0.46277900393465 22.990 53 Na 0.93338451407991 0.73508778227011 0.96277900393465 22.990 54 Na 0.68597318962617 0.74256583146430 0.56426444389798 22.990 55 Na 0.31402681037383 0.25743416853570 0.06426444389798 22.990 56 Na 0.18597318962617 0.75743416853570 0.56426444389798 22.990 57 Al 0.74351997229775 0.25306221857806 0.43736630035098 26.982 58 Al 0.50712621599074 0.72874672788308 0.58892813844154 26.982 59 Al 0.49287378400926 0.27125327211692 0.08892813844154 26.982 60 Al 0.00712621599074 0.77125327211692 0.58892813844154 26.982 61 Al 0.99287378400926 0.22874672788308 0.08892813844154 26.982 62 Al 0.25648002770225 0.74693778142194 0.93736630035098 26.982 63 Al 0.24351997229775 0.24693778142194 0.43736630035098 26.982 64 Al 0.75648002770225 0.75306221857806 0.93736630035098 26.982 65 Ba 0.86135146712906 0.73501212350105 0.32965563897688 137.327 66 Ba 0.13864853287094 0.26498787649895 0.82965563897688 137.327 67 Ba 0.36135146712907 0.76498787649895 0.32965563897688 137.327 68 Ba 0.63864853287094 0.23501212350105 0.82965563897688 137.327 69 Ba 0.88945132868888 0.24013612281565 0.69769608452906 137.327 70 Ba 0.61054867131112 0.74013612281565 0.19769608452906 137.327 71 Ba 0.38945132868888 0.25986387718435 0.69769608452906 137.327 72 Ba 0.11054867131112 0.75986387718435 0.19769608452906 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.608864340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.851929580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.885910779999998 Atomic positions (fractional): 1 F 0.53186505422088 0.00605850266289 0.99701663111590 18.998 > 1 2 F 0.53186505422088 0.50605850266289 0.99701663111590 18.998 > 1 3 F 0.46813494577912 0.49394149733711 0.49701663111590 18.998 > 3 4 F 0.46813494577912 0.99394149733711 0.49701663111590 18.998 > 3 5 F 0.03186505422088 0.24394149733711 0.99701663111590 18.998 > 5 6 F 0.03186505422088 0.74394149733711 0.99701663111590 18.998 > 5 7 F 0.96813494577912 0.25605850266289 0.49701663111590 18.998 > 7 8 F 0.96813494577912 0.75605850266289 0.49701663111590 18.998 > 7 9 F 0.53642275069354 0.22509458063402 0.67579209809690 18.998 > 9 10 F 0.53642275069354 0.72509458063402 0.67579209809690 18.998 > 9 11 F 0.46357724930646 0.27490541936598 0.17579209809690 18.998 > 11 12 F 0.46357724930646 0.77490541936598 0.17579209809690 18.998 > 11 13 F 0.03642275069354 0.02490541936598 0.67579209809690 18.998 > 13 14 F 0.03642275069354 0.52490541936598 0.67579209809690 18.998 > 13 15 F 0.96357724930646 0.47509458063402 0.17579209809690 18.998 > 15 16 F 0.96357724930646 0.97509458063402 0.17579209809690 18.998 > 15 17 F 0.55509833144227 0.10692838692534 0.22662334539165 18.998 > 17 18 F 0.55509833144227 0.60692838692534 0.22662334539165 18.998 > 17 19 F 0.44490166855773 0.39307161307466 0.72662334539165 18.998 > 19 20 F 0.44490166855773 0.89307161307466 0.72662334539165 18.998 > 19 21 F 0.05509833144227 0.14307161307466 0.22662334539165 18.998 > 21 22 F 0.05509833144227 0.64307161307466 0.22662334539165 18.998 > 21 23 F 0.94490166855773 0.35692838692534 0.72662334539165 18.998 > 23 24 F 0.94490166855773 0.85692838692534 0.72662334539165 18.998 > 23 25 F 0.55812848199168 0.23423675425476 0.00250305489867 18.998 > 25 26 F 0.55812848199168 0.73423675425476 0.00250305489867 18.998 > 25 27 F 0.44187151800832 0.26576324574524 0.50250305489867 18.998 > 27 28 F 0.44187151800832 0.76576324574524 0.50250305489867 18.998 > 27 29 F 0.05812848199168 0.01576324574524 0.00250305489867 18.998 > 29 30 F 0.05812848199168 0.51576324574524 0.00250305489867 18.998 > 29 31 F 0.94187151800832 0.48423675425476 0.50250305489867 18.998 > 31 32 F 0.94187151800832 0.98423675425476 0.50250305489867 18.998 > 31 33 F 0.57595468879827 0.46316187291930 0.65668228242067 18.998 > 33 34 F 0.57595468879827 0.96316187291930 0.65668228242067 18.998 > 33 35 F 0.42404531120173 0.03683812708070 0.15668228242067 18.998 > 35 36 F 0.42404531120173 0.53683812708070 0.15668228242067 18.998 > 35 37 F 0.30673656969309 0.01999681833722 0.52326284897908 18.998 > 37 38 F 0.30673656969309 0.51999681833722 0.52326284897908 18.998 > 37 39 F 0.92404531120173 0.21316187291930 0.15668228242067 18.998 > 39 40 F 0.92404531120173 0.71316187291930 0.15668228242067 18.998 > 39 41 F 0.56961417262528 0.33153895508094 0.45060218873576 18.998 > 41 42 F 0.56961417262528 0.83153895508094 0.45060218873576 18.998 > 41 43 F 0.43038582737472 0.16846104491906 0.95060218873576 18.998 > 43 44 F 0.43038582737472 0.66846104491906 0.95060218873576 18.998 > 43 45 F 0.06961417262528 0.41846104491906 0.45060218873576 18.998 > 45 46 F 0.06961417262528 0.91846104491906 0.45060218873576 18.998 > 45 47 F 0.93038582737472 0.08153895508094 0.95060218873576 18.998 > 47 48 F 0.93038582737472 0.58153895508094 0.95060218873576 18.998 > 47 49 F 0.69352671269627 0.35105378694059 0.80017694366671 18.998 > 49 50 F 0.69352671269627 0.85105378694059 0.80017694366671 18.998 > 49 51 F 0.30647328730372 0.14894621305941 0.30017694366671 18.998 > 51 52 F 0.30647328730372 0.64894621305941 0.30017694366671 18.998 > 51 53 F 0.19352671269627 0.39894621305941 0.80017694366671 18.998 > 53 54 F 0.19352671269627 0.89894621305941 0.80017694366671 18.998 > 53 55 F 0.80647328730373 0.10105378694059 0.30017694366671 18.998 > 55 56 F 0.80647328730373 0.60105378694059 0.30017694366671 18.998 > 55 57 F 0.69326343030691 0.48000318166278 0.02326284897908 18.998 > 57 58 F 0.69326343030691 0.98000318166278 0.02326284897908 18.998 > 57 59 F 0.78412366175773 0.49927281596137 0.52954058936977 18.998 > 59 60 F 0.78412366175773 0.99927281596137 0.52954058936977 18.998 > 59 61 F 0.19326343030691 0.26999681833722 0.02326284897908 18.998 > 61 62 F 0.19326343030691 0.76999681833722 0.02326284897908 18.998 > 61 63 F 0.80673656969309 0.23000318166278 0.52326284897908 18.998 > 63 64 F 0.80673656969309 0.73000318166278 0.52326284897908 18.998 > 63 65 F 0.67651697678088 0.02441464456111 0.36985545136937 18.998 > 65 66 F 0.67651697678088 0.52441464456111 0.36985545136937 18.998 > 65 67 F 0.32348302321912 0.47558535543889 0.86985545136938 18.998 > 67 68 F 0.32348302321912 0.97558535543889 0.86985545136938 18.998 > 67 69 F 0.17651697678088 0.22558535543889 0.36985545136937 18.998 > 69 70 F 0.17651697678088 0.72558535543889 0.36985545136937 18.998 > 69 71 F 0.82348302321912 0.27441464456111 0.86985545136938 18.998 > 71 72 F 0.82348302321912 0.77441464456111 0.86985545136938 18.998 > 71 73 F 0.68067475289020 0.15661980921509 0.57611763566395 18.998 > 73 74 F 0.68067475289020 0.65661980921509 0.57611763566395 18.998 > 73 75 F 0.31932524710980 0.34338019078491 0.07611763566395 18.998 > 75 76 F 0.31932524710980 0.84338019078491 0.07611763566395 18.998 > 75 77 F 0.18067475289020 0.09338019078491 0.57611763566395 18.998 > 77 78 F 0.18067475289020 0.59338019078491 0.57611763566395 18.998 > 77 79 F 0.81932524710980 0.40661980921509 0.07611763566395 18.998 > 79 80 F 0.81932524710980 0.90661980921509 0.07611763566395 18.998 > 79 81 F 0.71171361702748 0.26345518598012 0.34968731016052 18.998 > 81 82 F 0.71171361702748 0.76345518598012 0.34968731016052 18.998 > 81 83 F 0.28828638297252 0.23654481401988 0.84968731016052 18.998 > 83 84 F 0.28828638297252 0.73654481401988 0.84968731016052 18.998 > 83 85 F 0.21171361702748 0.48654481401988 0.34968731016052 18.998 > 85 86 F 0.21171361702748 0.98654481401988 0.34968731016052 18.998 > 85 87 F 0.78828638297252 0.01345518598012 0.84968731016052 18.998 > 87 88 F 0.78828638297252 0.51345518598012 0.84968731016052 18.998 > 87 89 F 0.71587633824227 0.24927281596137 0.02954058936977 18.998 > 89 90 F 0.71587633824227 0.74927281596137 0.02954058936977 18.998 > 89 91 F 0.28412366175773 0.25072718403863 0.52954058936977 18.998 > 91 92 F 0.28412366175773 0.75072718403863 0.52954058936977 18.998 > 91 93 F 0.21587633824227 0.00072718403863 0.02954058936977 18.998 > 93 94 F 0.21587633824227 0.50072718403863 0.02954058936977 18.998 > 93 95 F 0.07595468879827 0.28683812708070 0.65668228242067 18.998 > 95 96 F 0.07595468879827 0.78683812708070 0.65668228242067 18.998 > 95 97 Na 0.81402681037383 0.12128291573215 0.06426444389798 22.990 > 97 98 Na 0.81402681037383 0.62128291573215 0.06426444389798 22.990 > 97 99 Na 0.56661548592009 0.11754389113506 0.46277900393465 22.990 > 99 100 Na 0.56661548592009 0.61754389113506 0.46277900393465 22.990 > 99 101 Na 0.43338451407991 0.38245610886494 0.96277900393465 22.990 > 101 102 Na 0.43338451407991 0.88245610886494 0.96277900393465 22.990 > 101 103 Na 0.06661548592009 0.13245610886494 0.46277900393465 22.990 > 103 104 Na 0.06661548592009 0.63245610886494 0.46277900393465 22.990 > 103 105 Na 0.93338451407991 0.36754389113506 0.96277900393465 22.990 > 105 106 Na 0.93338451407991 0.86754389113506 0.96277900393465 22.990 > 105 107 Na 0.68597318962617 0.37128291573215 0.56426444389798 22.990 > 107 108 Na 0.68597318962617 0.87128291573215 0.56426444389798 22.990 > 107 109 Na 0.31402681037383 0.12871708426785 0.06426444389798 22.990 > 109 110 Na 0.31402681037383 0.62871708426785 0.06426444389798 22.990 > 109 111 Na 0.18597318962617 0.37871708426785 0.56426444389798 22.990 > 111 112 Na 0.18597318962617 0.87871708426785 0.56426444389798 22.990 > 111 113 Al 0.74351997229775 0.12653110928903 0.43736630035098 26.982 > 113 114 Al 0.74351997229775 0.62653110928903 0.43736630035098 26.982 > 113 115 Al 0.50712621599074 0.36437336394154 0.58892813844154 26.982 > 115 116 Al 0.50712621599074 0.86437336394154 0.58892813844154 26.982 > 115 117 Al 0.49287378400926 0.13562663605846 0.08892813844154 26.982 > 117 118 Al 0.49287378400926 0.63562663605846 0.08892813844154 26.982 > 117 119 Al 0.00712621599074 0.38562663605846 0.58892813844154 26.982 > 119 120 Al 0.00712621599074 0.88562663605846 0.58892813844154 26.982 > 119 121 Al 0.99287378400926 0.11437336394154 0.08892813844154 26.982 > 121 122 Al 0.99287378400926 0.61437336394154 0.08892813844154 26.982 > 121 123 Al 0.25648002770225 0.37346889071097 0.93736630035098 26.982 > 123 124 Al 0.25648002770225 0.87346889071097 0.93736630035098 26.982 > 123 125 Al 0.24351997229775 0.12346889071097 0.43736630035098 26.982 > 125 126 Al 0.24351997229775 0.62346889071097 0.43736630035098 26.982 > 125 127 Al 0.75648002770225 0.37653110928903 0.93736630035098 26.982 > 127 128 Al 0.75648002770225 0.87653110928903 0.93736630035098 26.982 > 127 129 Ba 0.86135146712906 0.36750606175052 0.32965563897688 137.327 > 129 130 Ba 0.86135146712906 0.86750606175052 0.32965563897688 137.327 > 129 131 Ba 0.13864853287094 0.13249393824948 0.82965563897688 137.327 > 131 132 Ba 0.13864853287094 0.63249393824948 0.82965563897688 137.327 > 131 133 Ba 0.36135146712907 0.38249393824948 0.32965563897688 137.327 > 133 134 Ba 0.36135146712907 0.88249393824948 0.32965563897688 137.327 > 133 135 Ba 0.63864853287094 0.11750606175052 0.82965563897688 137.327 > 135 136 Ba 0.63864853287094 0.61750606175052 0.82965563897688 137.327 > 135 137 Ba 0.88945132868888 0.12006806140782 0.69769608452906 137.327 > 137 138 Ba 0.88945132868888 0.62006806140782 0.69769608452906 137.327 > 137 139 Ba 0.61054867131112 0.37006806140782 0.19769608452906 137.327 > 139 140 Ba 0.61054867131112 0.87006806140782 0.19769608452906 137.327 > 139 141 Ba 0.38945132868888 0.12993193859218 0.69769608452906 137.327 > 141 142 Ba 0.38945132868888 0.62993193859218 0.69769608452906 137.327 > 141 143 Ba 0.11054867131112 0.37993193859218 0.19769608452906 137.327 > 143 144 Ba 0.11054867131112 0.87993193859218 0.19769608452906 137.327 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1330384 0.0000000 0.0000000 0.0000000 2.1488659 0.0000000 0.0000000 0.0000000 2.1623390 -------------------------- Born effective charges -------------------------- 1 F -1.0416873 0.1032998 0.0924747 0.0771206 -1.0934806 0.0242623 0.0870723 0.0114813 -1.0145089 2 F -1.0416873 0.1032998 -0.0924747 0.0771206 -1.0934806 -0.0242623 -0.0870723 -0.0114813 -1.0145089 3 F -1.0416873 -0.1032998 0.0924747 -0.0771206 -1.0934806 -0.0242623 0.0870723 -0.0114813 -1.0145089 4 F -1.0416873 -0.1032998 -0.0924747 -0.0771206 -1.0934806 0.0242623 -0.0870723 0.0114813 -1.0145089 5 F -1.1677497 0.1469730 -0.1749403 0.1727766 -1.1597402 0.2635981 -0.1863596 0.2645624 -0.9931734 6 F -1.1677497 0.1469730 0.1749403 0.1727766 -1.1597402 -0.2635981 0.1863596 -0.2645624 -0.9931734 7 F -1.1677497 -0.1469730 -0.1749403 -0.1727766 -1.1597402 -0.2635981 -0.1863596 -0.2645624 -0.9931734 8 F -1.1677497 -0.1469730 0.1749403 -0.1727766 -1.1597402 0.2635981 0.1863596 0.2645624 -0.9931734 9 F -0.9455469 0.1041602 -0.1914567 0.0928087 -1.1792376 0.0511090 -0.1710770 0.0326004 -1.0180078 10 F -0.9455469 0.1041602 0.1914567 0.0928087 -1.1792376 -0.0511090 0.1710770 -0.0326004 -1.0180078 11 F -0.9455469 -0.1041602 -0.1914567 -0.0928087 -1.1792376 -0.0511090 -0.1710770 -0.0326004 -1.0180078 12 F -0.9455469 -0.1041602 0.1914567 -0.0928087 -1.1792376 0.0511090 0.1710770 0.0326004 -1.0180078 13 F -1.1157884 -0.1286483 0.1994937 -0.1090977 -1.0670820 -0.2148430 0.1740510 -0.2133336 -1.1556725 14 F -1.1157884 -0.1286483 -0.1994937 -0.1090977 -1.0670820 0.2148430 -0.1740510 0.2133336 -1.1556725 15 F -1.1157884 0.1286483 0.1994937 0.1090977 -1.0670820 0.2148430 0.1740510 0.2133336 -1.1556725 16 F -1.1157884 0.1286483 -0.1994937 0.1090977 -1.0670820 -0.2148430 -0.1740510 -0.2133336 -1.1556725 17 F -1.1174621 -0.2619105 -0.2115177 -0.2710686 -1.0914217 -0.2437232 -0.2373729 -0.2584070 -1.0014811 18 F -1.1174621 -0.2619105 0.2115177 -0.2710686 -1.0914217 0.2437232 0.2373729 0.2584070 -1.0014811 19 F -1.1210804 0.1365457 -0.2037341 0.1172626 -1.0772390 -0.1975383 -0.1780794 -0.1925197 -1.1488259 20 F -1.1174621 0.2619105 0.2115177 0.2710686 -1.0914217 -0.2437232 0.2373729 -0.2584070 -1.0014811 21 F -1.0365449 0.0289895 0.3236935 0.0242073 -0.8492145 -0.0116241 0.3207200 -0.0216085 -1.3784900 22 F -1.0365449 0.0289895 -0.3236935 0.0242073 -0.8492145 0.0116241 -0.3207200 0.0216085 -1.3784900 23 F -1.0365449 -0.0289895 0.3236935 -0.0242073 -0.8492145 0.0116241 0.3207200 0.0216085 -1.3784900 24 F -1.0365449 -0.0289895 -0.3236935 -0.0242073 -0.8492145 -0.0116241 -0.3207200 -0.0216085 -1.3784900 25 F -0.9502934 -0.1033351 -0.1901137 -0.1139151 -1.1811128 -0.0445960 -0.1675979 -0.0213103 -1.0129695 26 F -0.9502934 -0.1033351 0.1901137 -0.1139151 -1.1811128 0.0445960 0.1675979 0.0213103 -1.0129695 27 F -0.9502934 0.1033351 -0.1901137 0.1139151 -1.1811128 0.0445960 -0.1675979 0.0213103 -1.0129695 28 F -0.9502934 0.1033351 0.1901137 0.1139151 -1.1811128 -0.0445960 0.1675979 -0.0213103 -1.0129695 29 F -1.1210804 0.1365457 0.2037341 0.1172626 -1.0772390 0.1975383 0.1780794 0.1925197 -1.1488259 30 F -1.0385147 0.1095568 -0.0796199 0.0826438 -1.0925758 -0.0284415 -0.0722622 -0.0244109 -1.0148064 31 F -1.1210804 -0.1365457 0.2037341 -0.1172626 -1.0772390 -0.1975383 0.1780794 -0.1925197 -1.1488259 32 F -1.1210804 -0.1365457 -0.2037341 -0.1172626 -1.0772390 0.1975383 -0.1780794 0.1925197 -1.1488259 33 F -1.1136319 -0.2582328 -0.2036537 -0.2678073 -1.0957688 -0.2343577 -0.2272190 -0.2510273 -0.9893175 34 F -1.1136319 -0.2582328 0.2036537 -0.2678073 -1.0957688 0.2343577 0.2272190 0.2510273 -0.9893175 35 F -1.1136319 0.2582328 -0.2036537 0.2678073 -1.0957688 0.2343577 -0.2272190 0.2510273 -0.9893175 36 F -1.1136319 0.2582328 0.2036537 0.2678073 -1.0957688 -0.2343577 0.2272190 -0.2510273 -0.9893175 37 F -1.0406972 0.0190438 0.3192010 0.0175957 -0.8473588 -0.0079727 0.3215521 -0.0145577 -1.3694814 38 F -1.0406972 0.0190438 -0.3192010 0.0175957 -0.8473588 0.0079727 -0.3215521 0.0145577 -1.3694814 39 F -1.0406972 -0.0190438 0.3192010 -0.0175957 -0.8473588 0.0079727 0.3215521 0.0145577 -1.3694814 40 F -1.0406972 -0.0190438 -0.3192010 -0.0175957 -0.8473588 -0.0079727 -0.3215521 -0.0145577 -1.3694814 41 F -1.1622330 0.1686422 -0.1961851 0.1900934 -1.1554955 0.2678103 -0.2043849 0.2671514 -1.0052618 42 F -1.1622330 0.1686422 0.1961851 0.1900934 -1.1554955 -0.2678103 0.2043849 -0.2671514 -1.0052618 43 F -1.1622330 -0.1686422 -0.1961851 -0.1900934 -1.1554955 -0.2678103 -0.2043849 -0.2671514 -1.0052618 44 F -1.1622330 -0.1686422 0.1961851 -0.1900934 -1.1554955 0.2678103 0.2043849 0.2671514 -1.0052618 45 F -1.0385147 -0.1095568 0.0796199 -0.0826438 -1.0925758 -0.0284415 0.0722622 -0.0244109 -1.0148064 46 F -1.0385147 -0.1095568 -0.0796199 -0.0826438 -1.0925758 0.0284415 -0.0722622 0.0244109 -1.0148064 47 F -1.0385147 0.1095568 0.0796199 0.0826438 -1.0925758 0.0284415 0.0722622 0.0244109 -1.0148064 48 F -1.1174621 0.2619105 -0.2115177 0.2710686 -1.0914217 0.2437232 -0.2373729 0.2584070 -1.0014811 49 Na 1.0986051 0.0058536 0.0377580 0.0109886 1.0991385 -0.0033774 0.0308535 -0.0061476 1.1037786 50 Na 1.0955428 -0.0043996 -0.0384352 -0.0096856 1.0953510 0.0076101 -0.0280566 -0.0005675 1.1017317 51 Na 1.0955428 -0.0043996 0.0384352 -0.0096856 1.0953510 -0.0076101 0.0280566 0.0005675 1.1017317 52 Na 1.0955428 0.0043996 -0.0384352 0.0096856 1.0953510 -0.0076101 -0.0280566 0.0005675 1.1017317 53 Na 1.0955428 0.0043996 0.0384352 0.0096856 1.0953510 0.0076101 0.0280566 -0.0005675 1.1017317 54 Na 1.0986051 -0.0058536 -0.0377580 -0.0109886 1.0991385 -0.0033774 -0.0308535 -0.0061476 1.1037786 55 Na 1.0986051 -0.0058536 0.0377580 -0.0109886 1.0991385 0.0033774 0.0308535 0.0061476 1.1037786 56 Na 1.0986051 0.0058536 -0.0377580 0.0109886 1.0991385 0.0033774 -0.0308535 0.0061476 1.1037786 57 Al 2.8724806 -0.0006180 0.0170806 0.0212864 2.7889640 0.0082585 -0.0352731 0.0173344 2.6675917 58 Al 2.8704163 0.0033719 0.0127093 0.0314186 2.7836837 0.0071508 -0.0307918 0.0133572 2.6773372 59 Al 2.8704163 0.0033719 -0.0127093 0.0314186 2.7836837 -0.0071508 0.0307918 -0.0133572 2.6773372 60 Al 2.8704163 -0.0033719 0.0127093 -0.0314186 2.7836837 -0.0071508 -0.0307918 -0.0133572 2.6773372 61 Al 2.8704163 -0.0033719 -0.0127093 -0.0314186 2.7836837 0.0071508 0.0307918 0.0133572 2.6773372 62 Al 2.8724806 -0.0006180 -0.0170806 0.0212864 2.7889640 -0.0082585 0.0352731 -0.0173344 2.6675917 63 Al 2.8724806 0.0006180 0.0170806 -0.0212864 2.7889640 -0.0082585 -0.0352731 -0.0173344 2.6675917 64 Al 2.8724806 0.0006180 -0.0170806 -0.0212864 2.7889640 0.0082585 0.0352731 0.0173344 2.6675917 65 Ba 2.4440529 0.0261082 -0.0749619 0.0628989 2.5724664 -0.0015531 -0.0513449 0.0047148 2.7726989 66 Ba 2.4440529 0.0261082 0.0749619 0.0628989 2.5724664 0.0015531 0.0513449 -0.0047148 2.7726989 67 Ba 2.4440529 -0.0261082 -0.0749619 -0.0628989 2.5724664 0.0015531 -0.0513449 -0.0047148 2.7726989 68 Ba 2.4440529 -0.0261082 0.0749619 -0.0628989 2.5724664 -0.0015531 0.0513449 0.0047148 2.7726989 69 Ba 2.4701322 -0.0748377 -0.0735652 -0.0598571 2.5501235 0.0319634 -0.0565089 0.0089625 2.7788582 70 Ba 2.4701322 0.0748377 0.0735652 0.0598571 2.5501235 0.0319634 0.0565089 0.0089625 2.7788582 71 Ba 2.4701322 0.0748377 -0.0735652 0.0598571 2.5501235 -0.0319634 -0.0565089 -0.0089625 2.7788582 72 Ba 2.4701322 -0.0748377 0.0735652 -0.0598571 2.5501235 -0.0319634 0.0565089 -0.0089625 2.7788582 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) 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 ... [ 3 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 299, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 -0.000) 0.000 1.263 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 -0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 -0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 -0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 -0.000) 0.000 2.581 ( 0.000 0.000 -0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 -0.000) 0.000 2.950 ( 0.000 0.000 -0.000) 0.000 3.042 ( 0.000 0.000 -0.000) 0.000 3.094 ( 0.000 0.000 -0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 -0.000) 0.000 3.306 ( 0.000 0.000 -0.000) 0.000 3.316 ( 0.000 0.000 -0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 -0.000) 0.000 3.765 ( 0.000 0.000 -0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 -0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 -0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 -0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 -0.000) 0.000 4.221 ( 0.000 0.000 -0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 -0.000) 0.000 4.518 ( 0.000 0.000 -0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 -0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 -0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 -0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 -0.000) 0.000 5.253 ( 0.000 0.000 -0.000) 0.000 5.332 ( 0.000 0.000 -0.000) 0.000 5.377 ( 0.000 0.000 -0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 -0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 -0.000) 0.000 6.066 ( 0.000 0.000 -0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 -0.000) 0.000 6.336 ( 0.000 0.000 -0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 -0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 -0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 -0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 -0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 -0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 -0.000) 0.000 7.056 ( 0.000 0.000 -0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 -0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 -0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 -0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 0.000 -0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 -0.000) 0.000 9.593 ( 0.000 0.000 -0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 -0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 10.007 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 -0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.991 ( 0.000 0.000 -0.000) 0.000 11.007 ( 0.000 0.000 -0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 -0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 -0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.260 ( 0.000 0.000 -0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.417 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 -0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 -0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 11.730 ( 0.000 0.000 -0.000) 0.000 11.753 ( 0.000 0.000 -0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 12.017 ( 0.000 0.000 0.000) 0.000 12.019 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 -0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.179 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 -0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 15.977 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 -0.000) 0.000 15.998 ( 0.000 0.000 0.000) 0.000 16.033 ( 0.000 0.000 0.000) 0.000 16.037 ( 0.000 0.000 0.000) 0.000 16.072 ( 0.000 0.000 -0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.852 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 16.899 ( 0.000 0.000 -0.000) 0.000 16.903 ( 0.000 0.000 -0.000) 0.000 16.969 ( 0.000 0.000 -0.000) 0.000 17.077 ( 0.000 0.000 -0.000) 0.000 17.096 ( 0.000 0.000 -0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 -0.000) 0.000 17.297 ( 0.000 0.000 -0.000) 0.000 17.314 ( 0.000 0.000 0.000) 0.000 17.539 ( 0.000 0.000 0.000) 0.000 17.549 ( 0.000 0.000 0.000) 0.000 17.549 ( 0.000 0.000 0.000) 0.000 17.566 ( 0.000 0.000 0.000) 0.000 17.667 ( 0.000 0.000 0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 17.857 ( 0.000 0.000 -0.000) 0.000 18.533 ( 0.000 0.000 0.000) 0.000 18.533 ( 0.000 0.000 0.000) 0.000 18.966 ( 0.000 0.000 0.000) 0.000 19.713 ( 0.000 0.000 0.000) 0.000 19.716 ( 0.000 0.000 -0.000) 0.000 19.757 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.33 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 24.406 0.000 0.000) 24.406 0.487 ( 26.615 0.000 0.000) 26.615 0.796 ( 42.077 0.000 0.000) 42.077 0.878 ( -21.453 0.000 0.000) 21.453 0.954 ( -24.414 0.000 0.000) 24.414 1.529 ( -35.283 0.000 0.000) 35.283 1.575 ( 12.543 0.000 0.000) 12.543 1.627 ( 6.188 0.000 0.000) 6.188 1.755 ( 2.434 0.000 0.000) 2.434 1.809 ( -2.650 0.000 0.000) 2.650 1.883 ( 6.580 0.000 0.000) 6.580 2.018 ( -7.340 0.000 0.000) 7.340 2.059 ( -4.735 0.000 0.000) 4.735 2.070 ( -3.081 0.000 0.000) 3.081 2.114 ( 0.115 0.000 0.000) 0.115 2.124 ( 1.310 0.000 0.000) 1.310 2.131 ( -2.004 0.000 0.000) 2.004 2.182 ( 0.153 0.000 0.000) 0.153 2.210 ( 0.855 0.000 0.000) 0.855 2.254 ( -5.684 0.000 0.000) 5.684 2.296 ( 3.651 0.000 0.000) 3.651 2.340 ( -0.972 0.000 0.000) 0.972 2.401 ( 4.146 0.000 0.000) 4.146 2.454 ( -2.881 0.000 0.000) 2.881 2.470 ( 3.523 0.000 0.000) 3.523 2.522 ( 1.038 0.000 0.000) 1.038 2.523 ( 0.314 0.000 0.000) 0.314 2.582 ( -6.628 0.000 0.000) 6.628 2.675 ( 2.751 0.000 0.000) 2.751 2.687 ( 0.919 0.000 0.000) 0.919 2.720 ( 7.755 0.000 0.000) 7.755 2.775 ( 2.739 0.000 0.000) 2.739 2.800 ( -1.862 0.000 0.000) 1.862 2.879 ( 2.888 0.000 0.000) 2.888 2.882 ( -4.206 0.000 0.000) 4.206 2.916 ( -2.479 0.000 0.000) 2.479 2.978 ( -4.656 0.000 0.000) 4.656 2.983 ( -4.113 0.000 0.000) 4.113 3.107 ( 6.338 0.000 0.000) 6.338 3.118 ( 3.558 0.000 0.000) 3.558 3.277 ( 3.095 0.000 0.000) 3.095 3.296 ( -1.521 0.000 0.000) 1.521 3.332 ( 2.315 0.000 0.000) 2.315 3.370 ( 13.143 0.000 0.000) 13.143 3.416 ( 5.804 0.000 0.000) 5.804 3.443 ( -3.444 0.000 0.000) 3.444 3.541 ( -2.337 0.000 0.000) 2.337 3.637 ( -6.007 0.000 0.000) 6.007 3.647 ( 2.953 0.000 0.000) 2.953 3.737 ( -3.734 0.000 0.000) 3.734 3.760 ( -0.336 0.000 0.000) 0.336 3.764 ( -1.107 0.000 0.000) 1.107 3.817 ( 1.898 0.000 0.000) 1.898 3.881 ( -5.928 0.000 0.000) 5.928 3.911 ( 6.045 0.000 0.000) 6.045 4.011 ( -1.917 0.000 0.000) 1.917 4.073 ( -1.710 0.000 0.000) 1.710 4.088 ( -1.028 0.000 0.000) 1.028 4.189 ( 0.422 0.000 0.000) 0.422 4.209 ( -1.257 0.000 0.000) 1.257 4.250 ( 2.237 0.000 0.000) 2.237 4.300 ( -3.079 0.000 0.000) 3.079 4.372 ( 4.452 0.000 0.000) 4.452 4.400 ( 2.567 0.000 0.000) 2.567 4.476 ( -5.595 0.000 0.000) 5.595 4.477 ( -4.676 0.000 0.000) 4.676 4.514 ( 0.266 0.000 0.000) 0.266 4.560 ( -4.461 0.000 0.000) 4.461 4.708 ( 5.744 0.000 0.000) 5.744 4.779 ( 0.693 0.000 0.000) 0.693 4.800 ( 4.206 0.000 0.000) 4.206 4.830 ( -3.816 0.000 0.000) 3.816 4.880 ( -2.923 0.000 0.000) 2.923 4.899 ( -3.378 0.000 0.000) 3.378 4.996 ( 3.339 0.000 0.000) 3.339 5.029 ( 0.354 0.000 0.000) 0.354 5.146 ( 0.057 0.000 0.000) 0.057 5.159 ( -0.607 0.000 0.000) 0.607 5.211 ( 1.478 0.000 0.000) 1.478 5.234 ( -0.808 0.000 0.000) 0.808 5.270 ( 2.135 0.000 0.000) 2.135 5.320 ( -3.330 0.000 0.000) 3.330 5.410 ( 0.538 0.000 0.000) 0.538 5.411 ( 0.692 0.000 0.000) 0.692 5.432 ( 9.874 0.000 0.000) 9.874 5.612 ( -9.143 0.000 0.000) 9.143 5.839 ( 3.689 0.000 0.000) 3.689 5.883 ( -1.221 0.000 0.000) 1.221 5.929 ( 0.665 0.000 0.000) 0.665 5.942 ( -0.622 0.000 0.000) 0.622 5.997 ( -0.375 0.000 0.000) 0.375 6.002 ( -0.716 0.000 0.000) 0.716 6.043 ( 0.890 0.000 0.000) 0.890 6.059 ( -0.721 0.000 0.000) 0.721 6.260 ( 1.981 0.000 0.000) 1.981 6.287 ( -0.996 0.000 0.000) 0.996 6.338 ( 0.239 0.000 0.000) 0.239 6.343 ( -0.390 0.000 0.000) 0.390 6.424 ( 2.106 0.000 0.000) 2.106 6.447 ( 1.943 0.000 0.000) 1.943 6.468 ( -2.477 0.000 0.000) 2.477 6.488 ( -1.886 0.000 0.000) 1.886 6.565 ( 0.496 0.000 0.000) 0.496 6.568 ( 0.513 0.000 0.000) 0.513 6.617 ( 1.404 0.000 0.000) 1.404 6.684 ( -4.982 0.000 0.000) 4.982 6.771 ( 1.201 0.000 0.000) 1.201 6.788 ( -0.101 0.000 0.000) 0.101 6.804 ( 2.470 0.000 0.000) 2.470 6.850 ( -2.538 0.000 0.000) 2.538 6.884 ( 2.508 0.000 0.000) 2.508 6.926 ( -1.752 0.000 0.000) 1.752 7.020 ( -0.514 0.000 0.000) 0.514 7.021 ( -0.341 0.000 0.000) 0.341 7.067 ( 0.933 0.000 0.000) 0.933 7.071 ( 0.867 0.000 0.000) 0.867 7.146 ( 2.727 0.000 0.000) 2.727 7.190 ( -1.898 0.000 0.000) 1.898 7.216 ( 0.781 0.000 0.000) 0.781 7.244 ( -1.774 0.000 0.000) 1.774 8.980 ( 0.903 0.000 0.000) 0.903 8.997 ( -0.747 0.000 0.000) 0.747 9.067 ( -0.546 0.000 0.000) 0.546 9.074 ( -1.560 0.000 0.000) 1.560 9.151 ( 1.515 0.000 0.000) 1.515 9.179 ( -0.948 0.000 0.000) 0.948 9.213 ( 3.086 0.000 0.000) 3.086 9.283 ( -3.887 0.000 0.000) 3.887 9.335 ( 5.148 0.000 0.000) 5.148 9.412 ( -0.811 0.000 0.000) 0.811 9.471 ( -2.038 0.000 0.000) 2.038 9.488 ( -1.645 0.000 0.000) 1.645 9.576 ( 0.656 0.000 0.000) 0.656 9.589 ( -0.606 0.000 0.000) 0.606 9.615 ( 1.097 0.000 0.000) 1.097 9.622 ( 0.134 0.000 0.000) 0.134 9.891 ( 1.369 0.000 0.000) 1.369 9.914 ( -0.886 0.000 0.000) 0.886 9.957 ( 0.526 0.000 0.000) 0.526 9.971 ( -0.862 0.000 0.000) 0.862 10.010 ( 0.488 0.000 0.000) 0.488 10.025 ( -1.074 0.000 0.000) 1.074 10.052 ( 0.632 0.000 0.000) 0.632 10.059 ( -0.097 0.000 0.000) 0.097 10.970 ( -1.363 0.000 0.000) 1.363 10.970 ( -1.170 0.000 0.000) 1.170 11.077 ( 1.193 0.000 0.000) 1.193 11.093 ( 2.741 0.000 0.000) 2.741 11.107 ( -2.017 0.000 0.000) 2.017 11.129 ( 3.541 0.000 0.000) 3.541 11.144 ( -0.173 0.000 0.000) 0.173 11.184 ( 0.632 0.000 0.000) 0.632 11.271 ( -0.486 0.000 0.000) 0.486 11.301 ( -4.318 0.000 0.000) 4.318 11.330 ( 2.452 0.000 0.000) 2.452 11.373 ( -1.868 0.000 0.000) 1.868 11.410 ( 1.472 0.000 0.000) 1.472 11.446 ( -2.316 0.000 0.000) 2.316 11.518 ( 0.617 0.000 0.000) 0.617 11.538 ( -1.354 0.000 0.000) 1.354 11.583 ( 2.156 0.000 0.000) 2.156 11.585 ( 0.397 0.000 0.000) 0.397 11.605 ( -0.619 0.000 0.000) 0.619 11.653 ( -4.209 0.000 0.000) 4.209 11.723 ( 3.696 0.000 0.000) 3.696 11.724 ( 5.089 0.000 0.000) 5.089 11.792 ( -0.633 0.000 0.000) 0.633 11.796 ( -0.385 0.000 0.000) 0.385 11.814 ( 3.552 0.000 0.000) 3.552 11.863 ( 1.618 0.000 0.000) 1.618 11.888 ( -1.634 0.000 0.000) 1.634 11.914 ( -2.081 0.000 0.000) 2.081 11.936 ( -5.063 0.000 0.000) 5.063 11.941 ( -1.998 0.000 0.000) 1.998 12.051 ( 2.238 0.000 0.000) 2.238 12.087 ( -1.860 0.000 0.000) 1.860 12.120 ( 0.666 0.000 0.000) 0.666 12.139 ( -1.248 0.000 0.000) 1.248 12.227 ( 0.504 0.000 0.000) 0.504 12.235 ( -0.285 0.000 0.000) 0.285 12.351 ( 9.233 0.000 0.000) 9.233 12.519 ( -9.140 0.000 0.000) 9.140 12.786 ( 5.006 0.000 0.000) 5.006 12.852 ( -2.342 0.000 0.000) 2.342 15.971 ( 0.515 0.000 0.000) 0.515 15.983 ( 0.637 0.000 0.000) 0.637 15.985 ( -0.927 0.000 0.000) 0.927 15.996 ( -0.671 0.000 0.000) 0.671 16.044 ( 1.030 0.000 0.000) 1.030 16.050 ( 1.109 0.000 0.000) 1.109 16.063 ( -0.931 0.000 0.000) 0.931 16.069 ( -0.853 0.000 0.000) 0.853 16.857 ( 0.586 0.000 0.000) 0.586 16.867 ( -0.394 0.000 0.000) 0.394 16.899 ( 0.067 0.000 0.000) 0.067 16.902 ( -0.153 0.000 0.000) 0.153 17.055 ( 0.356 0.000 0.000) 0.356 17.098 ( -3.762 0.000 0.000) 3.762 17.145 ( 2.798 0.000 0.000) 2.798 17.180 ( -0.950 0.000 0.000) 0.950 17.267 ( 1.254 0.000 0.000) 1.254 17.288 ( -0.907 0.000 0.000) 0.907 17.475 ( 0.038 0.000 0.000) 0.038 17.489 ( -1.806 0.000 0.000) 1.806 17.559 ( 0.029 0.000 0.000) 0.029 17.578 ( -2.917 0.000 0.000) 2.917 17.664 ( 7.803 0.000 0.000) 7.803 17.798 ( -6.146 0.000 0.000) 6.146 18.004 ( 14.982 0.000 0.000) 14.982 18.280 ( -15.149 0.000 0.000) 15.149 18.733 ( 9.346 0.000 0.000) 9.346 18.862 ( -4.951 0.000 0.000) 4.951 19.707 ( 0.200 0.000 0.000) 0.200 19.712 ( -0.319 0.000 0.000) 0.319 19.768 ( 1.006 0.000 0.000) 1.006 19.787 ( -0.979 0.000 0.000) 0.979 ======================= Grid point 3 (3/30) ======================= q-point: ( 0.00 0.11 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 24.669 0.000) 24.669 0.549 ( 0.000 26.417 0.000) 26.417 0.987 ( 0.000 45.774 0.000) 45.774 1.387 ( 0.000 7.848 0.000) 7.848 1.408 ( 0.000 11.228 0.000) 11.228 1.452 ( 0.000 14.529 0.000) 14.529 1.496 ( 0.000 7.502 0.000) 7.502 1.771 ( 0.000 2.986 0.000) 2.986 1.840 ( 0.000 1.250 0.000) 1.250 1.879 ( 0.000 5.240 0.000) 5.240 2.052 ( 0.000 -2.700 0.000) 2.700 2.064 ( 0.000 3.529 0.000) 3.529 2.085 ( 0.000 -2.635 0.000) 2.635 2.111 ( 0.000 1.210 0.000) 1.210 2.147 ( 0.000 3.268 0.000) 3.268 2.156 ( 0.000 2.627 0.000) 2.627 2.187 ( 0.000 6.464 0.000) 6.464 2.219 ( 0.000 -0.344 0.000) 0.344 2.264 ( 0.000 1.880 0.000) 1.880 2.294 ( 0.000 5.158 0.000) 5.158 2.366 ( 0.000 0.775 0.000) 0.775 2.391 ( 0.000 5.665 0.000) 5.665 2.398 ( 0.000 8.164 0.000) 8.164 2.461 ( 0.000 2.160 0.000) 2.160 2.478 ( 0.000 -1.036 0.000) 1.036 2.507 ( 0.000 -2.150 0.000) 2.150 2.532 ( 0.000 -1.979 0.000) 1.979 2.569 ( 0.000 3.621 0.000) 3.621 2.688 ( 0.000 5.606 0.000) 5.606 2.725 ( 0.000 6.570 0.000) 6.570 2.781 ( 0.000 5.242 0.000) 5.242 2.831 ( 0.000 4.738 0.000) 4.738 2.905 ( 0.000 6.549 0.000) 6.549 2.942 ( 0.000 5.604 0.000) 5.604 2.949 ( 0.000 0.794 0.000) 0.794 2.993 ( 0.000 2.890 0.000) 2.890 2.997 ( 0.000 5.649 0.000) 5.649 3.101 ( 0.000 0.630 0.000) 0.630 3.163 ( 0.000 4.783 0.000) 4.783 3.181 ( 0.000 2.559 0.000) 2.559 3.239 ( 0.000 0.779 0.000) 0.779 3.315 ( 0.000 -1.620 0.000) 1.620 3.332 ( 0.000 0.708 0.000) 0.708 3.359 ( 0.000 5.534 0.000) 5.534 3.393 ( 0.000 3.518 0.000) 3.518 3.521 ( 0.000 1.645 0.000) 1.645 3.577 ( 0.000 -0.615 0.000) 0.615 3.637 ( 0.000 -0.278 0.000) 0.278 3.692 ( 0.000 0.320 0.000) 0.320 3.751 ( 0.000 -2.317 0.000) 2.317 3.755 ( 0.000 -1.656 0.000) 1.656 3.802 ( 0.000 1.700 0.000) 1.700 3.804 ( 0.000 3.031 0.000) 3.031 3.869 ( 0.000 -1.769 0.000) 1.769 3.942 ( 0.000 -2.814 0.000) 2.814 3.988 ( 0.000 -2.318 0.000) 2.318 3.990 ( 0.000 -3.171 0.000) 3.171 4.043 ( 0.000 -6.283 0.000) 6.283 4.098 ( 0.000 0.059 0.000) 0.059 4.193 ( 0.000 -1.844 0.000) 1.844 4.231 ( 0.000 -2.830 0.000) 2.830 4.268 ( 0.000 -2.464 0.000) 2.464 4.334 ( 0.000 -0.900 0.000) 0.900 4.397 ( 0.000 3.835 0.000) 3.835 4.410 ( 0.000 1.173 0.000) 1.173 4.497 ( 0.000 -0.884 0.000) 0.884 4.550 ( 0.000 -1.411 0.000) 1.411 4.594 ( 0.000 -0.320 0.000) 0.320 4.595 ( 0.000 1.775 0.000) 1.775 4.640 ( 0.000 -1.391 0.000) 1.391 4.748 ( 0.000 -4.189 0.000) 4.189 4.854 ( 0.000 -0.814 0.000) 0.814 4.878 ( 0.000 -1.336 0.000) 1.336 4.911 ( 0.000 -0.667 0.000) 0.667 4.946 ( 0.000 -0.024 0.000) 0.024 4.976 ( 0.000 1.396 0.000) 1.396 4.983 ( 0.000 -2.369 0.000) 2.369 5.143 ( 0.000 -3.825 0.000) 3.825 5.177 ( 0.000 -8.995 0.000) 8.995 5.182 ( 0.000 -1.337 0.000) 1.337 5.218 ( 0.000 2.708 0.000) 2.708 5.267 ( 0.000 0.992 0.000) 0.992 5.268 ( 0.000 -3.367 0.000) 3.367 5.304 ( 0.000 1.987 0.000) 1.987 5.472 ( 0.000 4.720 0.000) 4.720 5.562 ( 0.000 1.466 0.000) 1.466 5.748 ( 0.000 -1.706 0.000) 1.706 5.810 ( 0.000 -3.128 0.000) 3.128 5.907 ( 0.000 -3.033 0.000) 3.033 5.943 ( 0.000 -4.433 0.000) 4.433 5.962 ( 0.000 -2.730 0.000) 2.730 5.981 ( 0.000 -4.860 0.000) 4.860 6.036 ( 0.000 -3.262 0.000) 3.262 6.051 ( 0.000 0.459 0.000) 0.459 6.161 ( 0.000 -3.662 0.000) 3.662 6.231 ( 0.000 -2.419 0.000) 2.419 6.284 ( 0.000 -2.700 0.000) 2.700 6.354 ( 0.000 -4.103 0.000) 4.103 6.361 ( 0.000 -0.620 0.000) 0.620 6.389 ( 0.000 -5.303 0.000) 5.303 6.444 ( 0.000 2.229 0.000) 2.229 6.503 ( 0.000 -0.091 0.000) 0.091 6.506 ( 0.000 -3.998 0.000) 3.998 6.598 ( 0.000 -1.280 0.000) 1.280 6.647 ( 0.000 -1.616 0.000) 1.616 6.684 ( 0.000 -0.501 0.000) 0.501 6.755 ( 0.000 -0.868 0.000) 0.868 6.787 ( 0.000 1.038 0.000) 1.038 6.793 ( 0.000 -0.904 0.000) 0.904 6.925 ( 0.000 0.878 0.000) 0.878 6.962 ( 0.000 0.179 0.000) 0.179 6.967 ( 0.000 7.560 0.000) 7.560 6.998 ( 0.000 -0.750 0.000) 0.750 7.033 ( 0.000 1.450 0.000) 1.450 7.087 ( 0.000 3.326 0.000) 3.326 7.135 ( 0.000 7.057 0.000) 7.057 7.183 ( 0.000 9.083 0.000) 9.083 7.204 ( 0.000 -0.798 0.000) 0.798 7.308 ( 0.000 7.568 0.000) 7.568 7.734 ( 0.000 -6.418 0.000) 6.418 8.998 ( 0.000 0.667 0.000) 0.667 9.022 ( 0.000 3.573 0.000) 3.573 9.106 ( 0.000 1.140 0.000) 1.140 9.146 ( 0.000 0.543 0.000) 0.543 9.158 ( 0.000 3.584 0.000) 3.584 9.172 ( 0.000 3.618 0.000) 3.618 9.215 ( 0.000 0.087 0.000) 0.087 9.297 ( 0.000 2.325 0.000) 2.325 9.357 ( 0.000 0.860 0.000) 0.860 9.404 ( 0.000 0.109 0.000) 0.109 9.474 ( 0.000 -1.740 0.000) 1.740 9.528 ( 0.000 0.808 0.000) 0.808 9.535 ( 0.000 -4.973 0.000) 4.973 9.576 ( 0.000 -1.121 0.000) 1.121 9.596 ( 0.000 1.857 0.000) 1.857 9.631 ( 0.000 0.255 0.000) 0.255 9.867 ( 0.000 -0.886 0.000) 0.886 9.883 ( 0.000 -3.429 0.000) 3.429 9.931 ( 0.000 -3.662 0.000) 3.662 9.937 ( 0.000 -4.475 0.000) 4.475 9.975 ( 0.000 -3.184 0.000) 3.184 9.980 ( 0.000 -3.863 0.000) 3.863 10.026 ( 0.000 -3.158 0.000) 3.158 10.034 ( 0.000 -2.346 0.000) 2.346 10.974 ( 0.000 0.011 0.000) 0.011 11.005 ( 0.000 0.385 0.000) 0.385 11.058 ( 0.000 0.145 0.000) 0.145 11.066 ( 0.000 1.435 0.000) 1.435 11.098 ( 0.000 2.605 0.000) 2.605 11.127 ( 0.000 -0.771 0.000) 0.771 11.171 ( 0.000 -1.042 0.000) 1.042 11.199 ( 0.000 -0.211 0.000) 0.211 11.239 ( 0.000 -3.348 0.000) 3.348 11.249 ( 0.000 5.243 0.000) 5.243 11.344 ( 0.000 2.429 0.000) 2.429 11.391 ( 0.000 -1.166 0.000) 1.166 11.392 ( 0.000 2.172 0.000) 2.172 11.483 ( 0.000 -1.953 0.000) 1.953 11.487 ( 0.000 2.928 0.000) 2.928 11.498 ( 0.000 3.794 0.000) 3.794 11.577 ( 0.000 -2.560 0.000) 2.560 11.606 ( 0.000 1.598 0.000) 1.598 11.623 ( 0.000 -0.528 0.000) 0.528 11.641 ( 0.000 0.975 0.000) 0.975 11.686 ( 0.000 -0.117 0.000) 0.117 11.753 ( 0.000 -1.263 0.000) 1.263 11.779 ( 0.000 2.432 0.000) 2.432 11.807 ( 0.000 1.564 0.000) 1.564 11.827 ( 0.000 1.757 0.000) 1.757 11.866 ( 0.000 0.744 0.000) 0.744 11.874 ( 0.000 -0.508 0.000) 0.508 11.970 ( 0.000 2.825 0.000) 2.825 12.077 ( 0.000 2.448 0.000) 2.448 12.079 ( 0.000 -0.430 0.000) 0.430 12.123 ( 0.000 6.156 0.000) 6.156 12.127 ( 0.000 1.514 0.000) 1.514 12.135 ( 0.000 3.713 0.000) 3.713 12.195 ( 0.000 1.267 0.000) 1.267 12.238 ( 0.000 6.235 0.000) 6.235 12.276 ( 0.000 2.969 0.000) 2.969 12.296 ( 0.000 0.757 0.000) 0.757 12.660 ( 0.000 0.492 0.000) 0.492 12.676 ( 0.000 -0.588 0.000) 0.588 12.880 ( 0.000 1.095 0.000) 1.095 15.964 ( 0.000 -0.205 0.000) 0.205 15.977 ( 0.000 -0.662 0.000) 0.662 15.990 ( 0.000 -0.637 0.000) 0.637 15.993 ( 0.000 -0.448 0.000) 0.448 16.026 ( 0.000 -1.072 0.000) 1.072 16.032 ( 0.000 -0.107 0.000) 0.107 16.060 ( 0.000 -1.146 0.000) 1.146 16.065 ( 0.000 -1.147 0.000) 1.147 16.854 ( 0.000 0.190 0.000) 0.190 16.870 ( 0.000 -0.257 0.000) 0.257 16.903 ( 0.000 0.703 0.000) 0.703 16.921 ( 0.000 1.066 0.000) 1.066 17.009 ( 0.000 3.023 0.000) 3.023 17.089 ( 0.000 -0.354 0.000) 0.354 17.162 ( 0.000 0.523 0.000) 0.523 17.251 ( 0.000 1.173 0.000) 1.173 17.361 ( 0.000 5.498 0.000) 5.498 17.397 ( 0.000 6.578 0.000) 6.578 17.488 ( 0.000 -4.641 0.000) 4.641 17.529 ( 0.000 6.284 0.000) 6.284 17.608 ( 0.000 4.518 0.000) 4.518 17.670 ( 0.000 9.304 0.000) 9.304 17.759 ( 0.000 8.553 0.000) 8.553 17.817 ( 0.000 0.376 0.000) 0.376 17.871 ( 0.000 2.627 0.000) 2.627 18.390 ( 0.000 -9.487 0.000) 9.487 18.441 ( 0.000 -8.732 0.000) 8.732 18.874 ( 0.000 -8.128 0.000) 8.128 19.420 ( 0.000 -6.761 0.000) 6.761 19.527 ( 0.000 -16.509 0.000) 16.509 19.628 ( 0.000 -12.060 0.000) 12.060 19.725 ( 0.000 -7.647 0.000) 7.647 ======================= Grid point 4 (4/30) ======================= q-point: ( 0.33 0.11 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 16.767 19.059 0.000) 25.384 0.744 ( 19.161 17.425 0.000) 25.899 1.080 ( -18.310 12.429 0.000) 22.130 1.103 ( -18.743 15.996 0.000) 24.641 1.204 ( 20.453 33.829 0.000) 39.532 1.656 ( -8.212 7.692 0.000) 11.251 1.676 ( 7.103 5.412 0.000) 8.930 1.693 ( -10.288 12.951 0.000) 16.540 1.801 ( 2.348 2.747 0.000) 3.614 1.860 ( -1.351 5.621 0.000) 5.781 1.941 ( 6.233 4.885 0.000) 7.919 2.025 ( -2.659 -0.477 0.000) 2.702 2.065 ( -3.442 0.326 0.000) 3.457 2.077 ( -4.421 1.432 0.000) 4.647 2.131 ( -1.410 1.765 0.000) 2.259 2.143 ( -1.109 1.241 0.000) 1.664 2.202 ( 1.123 3.841 0.000) 4.002 2.223 ( 0.045 2.056 0.000) 2.056 2.244 ( 1.309 4.159 0.000) 4.360 2.329 ( 0.181 1.022 0.000) 1.038 2.341 ( -2.982 8.147 0.000) 8.675 2.383 ( -2.175 5.622 0.000) 6.028 2.406 ( 1.774 0.768 0.000) 1.933 2.418 ( -0.742 -0.194 0.000) 0.767 2.487 ( 1.024 -0.540 0.000) 1.157 2.514 ( -2.027 -0.568 0.000) 2.105 2.538 ( 3.825 2.467 0.000) 4.551 2.631 ( -4.924 3.053 0.000) 5.793 2.666 ( 8.184 1.337 0.000) 8.293 2.797 ( 0.476 8.311 0.000) 8.325 2.818 ( 1.695 6.402 0.000) 6.622 2.849 ( -4.592 4.025 0.000) 6.106 2.883 ( 2.373 2.727 0.000) 3.615 2.897 ( 0.630 5.141 0.000) 5.180 2.939 ( -0.381 3.929 0.000) 3.948 2.971 ( -0.156 1.865 0.000) 1.872 3.025 ( -2.497 6.535 0.000) 6.996 3.083 ( -4.270 4.601 0.000) 6.277 3.109 ( 1.873 3.569 0.000) 4.030 3.170 ( -3.392 3.668 0.000) 4.995 3.226 ( 1.386 -1.425 0.000) 1.987 3.263 ( -2.293 1.462 0.000) 2.720 3.349 ( 8.340 1.816 0.000) 8.535 3.411 ( 3.239 2.026 0.000) 3.821 3.497 ( 6.647 4.988 0.000) 8.310 3.537 ( -1.959 4.444 0.000) 4.856 3.549 ( -0.505 1.366 0.000) 1.456 3.631 ( 0.404 -0.761 0.000) 0.861 3.651 ( -1.934 0.606 0.000) 2.026 3.739 ( -4.531 -1.710 0.000) 4.843 3.775 ( 0.186 1.147 0.000) 1.162 3.790 ( -1.240 2.553 0.000) 2.838 3.812 ( -0.685 -0.162 0.000) 0.704 3.826 ( -2.404 -2.972 0.000) 3.823 3.915 ( 4.354 -0.433 0.000) 4.375 3.985 ( 2.916 -4.567 0.000) 5.418 4.002 ( -3.829 -2.688 0.000) 4.678 4.028 ( -1.418 -5.262 0.000) 5.449 4.153 ( 1.464 -3.933 0.000) 4.197 4.174 ( -1.244 -2.615 0.000) 2.896 4.240 ( 1.143 -1.122 0.000) 1.601 4.279 ( -2.561 -0.412 0.000) 2.593 4.395 ( 3.045 0.526 0.000) 3.090 4.422 ( 4.000 -0.241 0.000) 4.007 4.459 ( -2.643 -1.295 0.000) 2.943 4.487 ( 0.731 -0.059 0.000) 0.733 4.501 ( -4.598 0.400 0.000) 4.615 4.542 ( -4.077 0.204 0.000) 4.082 4.679 ( 8.888 -6.961 0.000) 11.289 4.711 ( 4.987 -0.921 0.000) 5.071 4.772 ( 0.790 -4.362 0.000) 4.433 4.814 ( -4.034 -0.323 0.000) 4.046 4.873 ( -1.258 -0.506 0.000) 1.356 4.890 ( -2.539 -0.413 0.000) 2.572 4.962 ( 4.296 -3.691 0.000) 5.664 4.998 ( 0.354 -2.889 0.000) 2.911 5.069 ( 7.139 -5.841 0.000) 9.224 5.146 ( -1.815 -5.739 0.000) 6.019 5.180 ( 2.198 -6.078 0.000) 6.463 5.210 ( 1.880 -3.125 0.000) 3.647 5.224 ( 0.272 -1.076 0.000) 1.110 5.235 ( -2.312 -4.457 0.000) 5.021 5.276 ( 0.093 0.438 0.000) 0.448 5.291 ( -1.319 2.393 0.000) 2.733 5.524 ( 5.426 4.608 0.000) 7.119 5.604 ( 0.368 1.241 0.000) 1.294 5.714 ( 0.986 -2.570 0.000) 2.753 5.796 ( -3.415 -5.428 0.000) 6.413 5.914 ( 1.014 -2.105 0.000) 2.336 5.941 ( -1.557 -3.188 0.000) 3.548 5.948 ( 0.459 -3.356 0.000) 3.388 5.970 ( -1.545 -3.051 0.000) 3.420 6.028 ( -0.460 -2.041 0.000) 2.093 6.033 ( -0.806 -2.194 0.000) 2.338 6.185 ( 2.196 -3.376 0.000) 4.028 6.222 ( -1.519 -3.094 0.000) 3.447 6.309 ( 2.538 -2.257 0.000) 3.397 6.344 ( -0.958 -4.088 0.000) 4.199 6.374 ( 0.959 -1.618 0.000) 1.881 6.395 ( 0.167 -3.730 0.000) 3.734 6.433 ( -0.527 1.368 0.000) 1.466 6.459 ( -2.597 -1.968 0.000) 3.258 6.544 ( 2.041 -1.555 0.000) 2.566 6.582 ( -2.505 -1.217 0.000) 2.785 6.608 ( 1.418 -1.045 0.000) 1.762 6.669 ( -4.330 -1.382 0.000) 4.545 6.765 ( 3.037 -0.533 0.000) 3.083 6.798 ( -0.224 0.073 0.000) 0.235 6.848 ( 3.354 0.987 0.000) 3.496 6.900 ( -2.562 1.714 0.000) 3.083 6.940 ( -0.007 3.858 0.000) 3.858 6.956 ( -1.068 3.425 0.000) 3.588 7.024 ( 0.927 0.521 0.000) 1.063 7.036 ( -0.151 1.032 0.000) 1.043 7.109 ( 2.228 3.514 0.000) 4.161 7.148 ( -1.417 5.069 0.000) 5.263 7.194 ( 2.881 4.894 0.000) 5.679 7.213 ( 0.428 3.737 0.000) 3.762 7.328 ( 4.065 7.914 0.000) 8.897 7.514 ( -15.813 5.824 0.000) 16.852 9.008 ( 0.922 0.818 0.000) 1.232 9.023 ( -0.329 2.761 0.000) 2.780 9.083 ( -0.799 1.846 0.000) 2.011 9.100 ( -2.256 3.465 0.000) 4.135 9.177 ( 1.269 2.713 0.000) 2.995 9.189 ( -0.060 1.278 0.000) 1.279 9.240 ( 3.127 0.173 0.000) 3.132 9.304 ( -3.500 1.099 0.000) 3.668 9.342 ( 3.028 1.026 0.000) 3.197 9.405 ( -2.715 -0.086 0.000) 2.716 9.460 ( 0.720 -1.191 0.000) 1.392 9.485 ( -1.677 -1.285 0.000) 2.113 9.579 ( 1.233 -1.879 0.000) 2.247 9.583 ( 0.273 -0.910 0.000) 0.950 9.601 ( 0.913 1.481 0.000) 1.740 9.622 ( -0.935 0.234 0.000) 0.964 9.856 ( -0.186 -1.890 0.000) 1.899 9.869 ( -1.288 -3.223 0.000) 3.471 9.923 ( 0.178 -3.368 0.000) 3.373 9.931 ( -0.560 -3.546 0.000) 3.590 9.980 ( 1.017 -3.103 0.000) 3.265 9.994 ( 0.168 -3.034 0.000) 3.039 10.025 ( 0.063 -2.728 0.000) 2.728 10.035 ( -0.373 -2.862 0.000) 2.887 10.968 ( -0.232 0.907 0.000) 0.936 10.978 ( -1.468 1.378 0.000) 2.014 11.074 ( 1.927 -0.321 0.000) 1.953 11.097 ( -0.156 0.665 0.000) 0.683 11.117 ( 1.678 0.415 0.000) 1.728 11.123 ( 2.144 0.826 0.000) 2.298 11.151 ( -2.075 2.311 0.000) 3.106 11.185 ( -2.817 -1.605 0.000) 3.242 11.273 ( 3.249 1.423 0.000) 3.547 11.307 ( 2.592 -2.033 0.000) 3.294 11.356 ( -0.000 2.267 0.000) 2.267 11.367 ( -0.441 0.473 0.000) 0.647 11.409 ( 1.284 0.216 0.000) 1.302 11.443 ( -2.435 -0.098 0.000) 2.437 11.504 ( 0.172 2.179 0.000) 2.186 11.515 ( -0.149 0.770 0.000) 0.784 11.562 ( -0.024 -2.090 0.000) 2.090 11.577 ( -1.748 0.291 0.000) 1.772 11.627 ( 2.520 -1.603 0.000) 2.986 11.677 ( 3.195 1.878 0.000) 3.707 11.703 ( -2.577 -1.840 0.000) 3.166 11.738 ( 1.047 0.060 0.000) 1.049 11.775 ( -0.388 2.784 0.000) 2.811 11.822 ( -0.805 0.571 0.000) 0.987 11.830 ( 0.688 1.537 0.000) 1.684 11.859 ( -0.878 0.027 0.000) 0.879 11.887 ( 1.884 -0.479 0.000) 1.944 11.940 ( -3.676 1.585 0.000) 4.003 12.020 ( 0.260 5.342 0.000) 5.348 12.067 ( -3.707 4.506 0.000) 5.835 12.097 ( 0.701 0.251 0.000) 0.744 12.116 ( -1.149 1.174 0.000) 1.643 12.158 ( 1.400 7.819 0.000) 7.943 12.190 ( -2.274 7.317 0.000) 7.662 12.253 ( 2.528 3.196 0.000) 4.075 12.286 ( -1.119 2.698 0.000) 2.921 12.358 ( 7.930 0.808 0.000) 7.971 12.515 ( -8.985 -0.164 0.000) 8.986 12.788 ( 5.338 0.427 0.000) 5.355 12.858 ( -2.529 0.917 0.000) 2.690 15.968 ( 0.384 -0.339 0.000) 0.512 15.975 ( -0.258 -0.679 0.000) 0.726 15.986 ( -0.047 -0.124 0.000) 0.132 15.991 ( -0.386 -0.421 0.000) 0.571 16.034 ( 0.876 -1.051 0.000) 1.368 16.043 ( 0.809 -0.596 0.000) 1.005 16.052 ( -0.745 -1.061 0.000) 1.297 16.059 ( -0.645 -0.930 0.000) 1.132 16.858 ( 0.408 -0.053 0.000) 0.411 16.866 ( -0.391 -0.303 0.000) 0.495 16.901 ( -0.065 0.514 0.000) 0.518 16.906 ( -0.622 0.777 0.000) 0.995 17.060 ( 2.610 1.341 0.000) 2.934 17.117 ( -1.191 0.950 0.000) 1.523 17.158 ( 3.003 2.171 0.000) 3.705 17.241 ( -0.711 1.907 0.000) 2.035 17.309 ( -1.215 2.867 0.000) 3.113 17.374 ( -4.736 4.923 0.000) 6.831 17.514 ( 1.651 3.925 0.000) 4.258 17.525 ( 1.321 2.609 0.000) 2.925 17.620 ( 0.991 5.152 0.000) 5.246 17.675 ( -3.932 7.175 0.000) 8.182 17.739 ( 5.237 8.345 0.000) 9.853 17.834 ( -3.910 3.888 0.000) 5.514 17.972 ( 11.878 -2.150 0.000) 12.071 18.196 ( -12.408 -7.293 0.000) 14.393 18.633 ( 10.866 -9.070 0.000) 14.154 18.796 ( -7.233 -7.285 0.000) 10.265 19.479 ( 3.756 -13.451 0.000) 13.966 19.519 ( -1.025 -16.085 0.000) 16.118 19.641 ( 1.632 -11.089 0.000) 11.208 19.686 ( -3.116 -8.710 0.000) 9.251 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.00 0.22 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 23.192 0.000) 23.192 1.070 ( 0.000 23.928 0.000) 23.928 1.554 ( 0.000 6.647 0.000) 6.647 1.632 ( 0.000 10.644 0.000) 10.644 1.650 ( 0.000 10.355 0.000) 10.355 1.724 ( 0.000 12.052 0.000) 12.052 1.794 ( 0.000 0.744 0.000) 0.744 1.839 ( 0.000 21.139 0.000) 21.139 1.885 ( 0.000 1.433 0.000) 1.433 1.979 ( 0.000 4.136 0.000) 4.136 2.006 ( 0.000 -0.229 0.000) 0.229 2.014 ( 0.000 2.873 0.000) 2.873 2.116 ( 0.000 0.586 0.000) 0.586 2.149 ( 0.000 4.502 0.000) 4.502 2.196 ( 0.000 0.132 0.000) 0.132 2.228 ( 0.000 3.512 0.000) 3.512 2.272 ( 0.000 2.241 0.000) 2.241 2.314 ( 0.000 4.512 0.000) 4.512 2.323 ( 0.000 5.043 0.000) 5.043 2.378 ( 0.000 0.738 0.000) 0.738 2.397 ( 0.000 5.013 0.000) 5.013 2.428 ( 0.000 -0.705 0.000) 0.705 2.479 ( 0.000 4.246 0.000) 4.246 2.532 ( 0.000 1.558 0.000) 1.558 2.535 ( 0.000 5.153 0.000) 5.153 2.560 ( 0.000 4.757 0.000) 4.757 2.573 ( 0.000 6.272 0.000) 6.272 2.684 ( 0.000 7.015 0.000) 7.015 2.760 ( 0.000 0.150 0.000) 0.150 2.830 ( 0.000 -1.242 0.000) 1.242 2.869 ( 0.000 5.953 0.000) 5.953 2.878 ( 0.000 4.374 0.000) 4.374 2.984 ( 0.000 1.225 0.000) 1.225 3.048 ( 0.000 4.987 0.000) 4.987 3.091 ( 0.000 9.118 0.000) 9.118 3.116 ( 0.000 1.762 0.000) 1.762 3.180 ( 0.000 8.523 0.000) 8.523 3.183 ( 0.000 9.845 0.000) 9.845 3.249 ( 0.000 6.314 0.000) 6.314 3.261 ( 0.000 0.698 0.000) 0.698 3.285 ( 0.000 0.738 0.000) 0.738 3.299 ( 0.000 4.205 0.000) 4.205 3.354 ( 0.000 3.735 0.000) 3.735 3.456 ( 0.000 1.694 0.000) 1.694 3.487 ( 0.000 4.677 0.000) 4.677 3.537 ( 0.000 0.804 0.000) 0.804 3.601 ( 0.000 2.260 0.000) 2.260 3.624 ( 0.000 -1.038 0.000) 1.038 3.654 ( 0.000 -5.312 0.000) 5.312 3.710 ( 0.000 2.047 0.000) 2.047 3.762 ( 0.000 2.366 0.000) 2.366 3.797 ( 0.000 -2.224 0.000) 2.224 3.851 ( 0.000 -2.752 0.000) 2.752 3.860 ( 0.000 -6.593 0.000) 6.593 3.863 ( 0.000 0.931 0.000) 0.931 3.908 ( 0.000 2.032 0.000) 2.032 3.969 ( 0.000 4.028 0.000) 4.028 3.973 ( 0.000 -0.878 0.000) 0.878 4.103 ( 0.000 -0.604 0.000) 0.604 4.122 ( 0.000 -3.192 0.000) 3.192 4.176 ( 0.000 -1.486 0.000) 1.486 4.250 ( 0.000 -0.284 0.000) 0.284 4.291 ( 0.000 -2.952 0.000) 2.952 4.420 ( 0.000 0.793 0.000) 0.793 4.462 ( 0.000 1.603 0.000) 1.603 4.474 ( 0.000 -2.751 0.000) 2.751 4.542 ( 0.000 -3.169 0.000) 3.169 4.542 ( 0.000 1.602 0.000) 1.602 4.631 ( 0.000 -0.196 0.000) 0.196 4.645 ( 0.000 1.403 0.000) 1.403 4.681 ( 0.000 -0.197 0.000) 0.197 4.854 ( 0.000 -0.808 0.000) 0.808 4.856 ( 0.000 0.184 0.000) 0.184 4.892 ( 0.000 -2.175 0.000) 2.175 4.899 ( 0.000 -5.379 0.000) 5.379 4.946 ( 0.000 -0.115 0.000) 0.115 4.950 ( 0.000 -8.345 0.000) 8.345 5.025 ( 0.000 -3.739 0.000) 3.739 5.029 ( 0.000 1.525 0.000) 1.525 5.140 ( 0.000 -4.242 0.000) 4.242 5.204 ( 0.000 1.351 0.000) 1.351 5.254 ( 0.000 0.367 0.000) 0.367 5.324 ( 0.000 4.517 0.000) 4.517 5.438 ( 0.000 7.018 0.000) 7.018 5.540 ( 0.000 2.153 0.000) 2.153 5.617 ( 0.000 4.659 0.000) 4.659 5.692 ( 0.000 -3.147 0.000) 3.147 5.770 ( 0.000 -0.352 0.000) 0.352 5.850 ( 0.000 -4.665 0.000) 4.665 5.851 ( 0.000 -2.504 0.000) 2.504 5.873 ( 0.000 -4.235 0.000) 4.235 5.923 ( 0.000 -0.956 0.000) 0.956 5.959 ( 0.000 -2.512 0.000) 2.512 6.059 ( 0.000 -0.075 0.000) 0.075 6.094 ( 0.000 -2.476 0.000) 2.476 6.170 ( 0.000 -3.353 0.000) 3.353 6.245 ( 0.000 -1.884 0.000) 1.884 6.274 ( 0.000 -6.388 0.000) 6.388 6.280 ( 0.000 -3.199 0.000) 3.199 6.348 ( 0.000 -0.721 0.000) 0.721 6.413 ( 0.000 -4.706 0.000) 4.706 6.486 ( 0.000 -1.680 0.000) 1.680 6.489 ( 0.000 0.828 0.000) 0.828 6.569 ( 0.000 -1.330 0.000) 1.330 6.597 ( 0.000 -2.917 0.000) 2.917 6.656 ( 0.000 -2.088 0.000) 2.088 6.735 ( 0.000 -1.137 0.000) 1.137 6.739 ( 0.000 -4.118 0.000) 4.118 6.815 ( 0.000 0.800 0.000) 0.800 6.909 ( 0.000 -4.253 0.000) 4.253 6.924 ( 0.000 -0.645 0.000) 0.645 6.965 ( 0.000 -2.548 0.000) 2.548 7.119 ( 0.000 5.621 0.000) 5.621 7.121 ( 0.000 6.272 0.000) 6.272 7.183 ( 0.000 5.169 0.000) 5.169 7.212 ( 0.000 2.956 0.000) 2.956 7.264 ( 0.000 4.812 0.000) 4.812 7.370 ( 0.000 7.905 0.000) 7.905 7.440 ( 0.000 4.458 0.000) 4.458 7.574 ( 0.000 -8.121 0.000) 8.121 9.012 ( 0.000 0.988 0.000) 0.988 9.082 ( 0.000 1.427 0.000) 1.427 9.098 ( 0.000 -1.200 0.000) 1.200 9.180 ( 0.000 2.624 0.000) 2.624 9.221 ( 0.000 -0.536 0.000) 0.536 9.252 ( 0.000 2.494 0.000) 2.494 9.258 ( 0.000 3.879 0.000) 3.879 9.322 ( 0.000 -0.852 0.000) 0.852 9.365 ( 0.000 2.771 0.000) 2.771 9.381 ( 0.000 -2.650 0.000) 2.650 9.420 ( 0.000 -3.027 0.000) 3.027 9.476 ( 0.000 1.118 0.000) 1.118 9.542 ( 0.000 0.474 0.000) 0.474 9.579 ( 0.000 0.967 0.000) 0.967 9.606 ( 0.000 -1.542 0.000) 1.542 9.641 ( 0.000 0.740 0.000) 0.740 9.789 ( 0.000 -4.923 0.000) 4.923 9.840 ( 0.000 -2.136 0.000) 2.136 9.850 ( 0.000 -2.895 0.000) 2.895 9.886 ( 0.000 -1.457 0.000) 1.457 9.894 ( 0.000 -3.141 0.000) 3.141 9.907 ( 0.000 -2.691 0.000) 2.691 9.936 ( 0.000 -4.750 0.000) 4.750 9.971 ( 0.000 -3.089 0.000) 3.089 11.013 ( 0.000 2.855 0.000) 2.855 11.033 ( 0.000 2.069 0.000) 2.069 11.080 ( 0.000 1.927 0.000) 1.927 11.091 ( 0.000 1.494 0.000) 1.494 11.104 ( 0.000 -0.885 0.000) 0.885 11.129 ( 0.000 0.305 0.000) 0.305 11.164 ( 0.000 1.825 0.000) 1.825 11.217 ( 0.000 3.011 0.000) 3.011 11.287 ( 0.000 4.025 0.000) 4.025 11.348 ( 0.000 -1.832 0.000) 1.832 11.349 ( 0.000 3.830 0.000) 3.830 11.392 ( 0.000 1.119 0.000) 1.119 11.447 ( 0.000 3.251 0.000) 3.251 11.485 ( 0.000 1.519 0.000) 1.519 11.505 ( 0.000 -2.171 0.000) 2.171 11.537 ( 0.000 0.385 0.000) 0.385 11.548 ( 0.000 -0.207 0.000) 0.207 11.583 ( 0.000 -0.877 0.000) 0.877 11.666 ( 0.000 1.061 0.000) 1.061 11.682 ( 0.000 -0.376 0.000) 0.376 11.682 ( 0.000 4.742 0.000) 4.742 11.720 ( 0.000 -1.655 0.000) 1.655 11.797 ( 0.000 -0.985 0.000) 0.985 11.836 ( 0.000 2.951 0.000) 2.951 11.861 ( 0.000 0.954 0.000) 0.954 11.871 ( 0.000 -0.038 0.000) 0.038 11.898 ( 0.000 2.061 0.000) 2.061 11.960 ( 0.000 -1.930 0.000) 1.930 12.058 ( 0.000 -0.939 0.000) 0.939 12.098 ( 0.000 -0.855 0.000) 0.855 12.118 ( 0.000 -2.165 0.000) 2.165 12.144 ( 0.000 -0.117 0.000) 0.117 12.249 ( 0.000 3.449 0.000) 3.449 12.313 ( 0.000 1.923 0.000) 1.923 12.370 ( 0.000 7.649 0.000) 7.649 12.393 ( 0.000 9.567 0.000) 9.567 12.444 ( 0.000 14.419 0.000) 14.419 12.682 ( 0.000 1.483 0.000) 1.483 12.683 ( 0.000 1.683 0.000) 1.683 12.933 ( 0.000 4.244 0.000) 4.244 15.957 ( 0.000 -1.185 0.000) 1.185 15.959 ( 0.000 -0.246 0.000) 0.246 15.975 ( 0.000 -0.748 0.000) 0.748 15.983 ( 0.000 -0.441 0.000) 0.441 15.997 ( 0.000 -1.602 0.000) 1.602 16.026 ( 0.000 -0.559 0.000) 0.559 16.029 ( 0.000 -1.735 0.000) 1.735 16.035 ( 0.000 -1.592 0.000) 1.592 16.854 ( 0.000 -1.397 0.000) 1.397 16.859 ( 0.000 0.396 0.000) 0.396 16.931 ( 0.000 1.843 0.000) 1.843 16.958 ( 0.000 2.604 0.000) 2.604 17.062 ( 0.000 1.822 0.000) 1.822 17.080 ( 0.000 -0.698 0.000) 0.698 17.149 ( 0.000 -1.323 0.000) 1.323 17.272 ( 0.000 0.904 0.000) 0.904 17.367 ( 0.000 -6.529 0.000) 6.529 17.427 ( 0.000 -0.583 0.000) 0.583 17.512 ( 0.000 3.035 0.000) 3.035 17.644 ( 0.000 3.224 0.000) 3.224 17.706 ( 0.000 3.566 0.000) 3.566 17.858 ( 0.000 5.841 0.000) 5.841 17.861 ( 0.000 4.242 0.000) 4.242 17.998 ( 0.000 13.582 0.000) 13.582 18.013 ( 0.000 9.969 0.000) 9.969 18.132 ( 0.000 -13.023 0.000) 13.023 18.201 ( 0.000 -13.154 0.000) 13.154 18.716 ( 0.000 -4.193 0.000) 4.193 19.112 ( 0.000 -22.317 0.000) 22.317 19.232 ( 0.000 -10.018 0.000) 10.018 19.327 ( 0.000 -15.227 0.000) 15.227 19.579 ( 0.000 -6.343 0.000) 6.343 ======================= Grid point 7 (6/30) ======================= q-point: ( 0.33 0.22 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 10.565 18.191 0.000) 21.037 1.146 ( 7.430 20.179 0.000) 21.503 1.378 ( -11.852 14.618 0.000) 18.819 1.403 ( -14.147 14.446 0.000) 20.219 1.732 ( 1.905 1.778 0.000) 2.606 1.766 ( -2.062 2.785 0.000) 3.465 1.834 ( 6.687 10.539 0.000) 12.482 1.874 ( 2.940 7.621 0.000) 8.169 1.978 ( -0.323 5.323 0.000) 5.333 1.998 ( -1.698 7.649 0.000) 7.835 2.022 ( 7.624 6.357 0.000) 9.927 2.051 ( 4.019 4.050 0.000) 5.705 2.087 ( -0.482 1.378 0.000) 1.460 2.130 ( -2.485 3.391 0.000) 4.204 2.169 ( -2.449 3.635 0.000) 4.383 2.186 ( -3.779 5.077 0.000) 6.329 2.273 ( 1.782 5.682 0.000) 5.955 2.305 ( -1.335 6.646 0.000) 6.779 2.353 ( 0.859 2.563 0.000) 2.704 2.370 ( 0.438 3.089 0.000) 3.119 2.402 ( 0.607 1.275 0.000) 1.412 2.431 ( 1.937 1.958 0.000) 2.754 2.454 ( -3.868 3.796 0.000) 5.420 2.493 ( -4.407 2.252 0.000) 4.949 2.547 ( 0.895 4.421 0.000) 4.511 2.558 ( 0.845 4.703 0.000) 4.778 2.593 ( 2.634 3.493 0.000) 4.375 2.675 ( -5.037 1.256 0.000) 5.191 2.758 ( 6.466 6.882 0.000) 9.443 2.855 ( 1.879 -3.040 0.000) 3.574 2.880 ( -0.239 0.023 0.000) 0.241 2.903 ( -5.814 2.748 0.000) 6.431 2.936 ( 2.440 5.175 0.000) 5.722 3.005 ( -3.815 4.858 0.000) 6.176 3.079 ( -0.086 7.055 0.000) 7.056 3.112 ( -1.019 5.142 0.000) 5.242 3.137 ( -0.299 5.893 0.000) 5.901 3.181 ( -2.463 6.935 0.000) 7.360 3.221 ( 1.537 6.513 0.000) 6.692 3.293 ( 1.302 5.358 0.000) 5.514 3.301 ( -1.824 5.420 0.000) 5.719 3.305 ( -2.441 5.004 0.000) 5.568 3.391 ( 7.667 1.539 0.000) 7.820 3.471 ( -0.043 2.432 0.000) 2.432 3.532 ( 2.443 -1.586 0.000) 2.913 3.555 ( 1.277 -1.903 0.000) 2.292 3.588 ( -0.669 2.172 0.000) 2.273 3.632 ( -0.397 -1.035 0.000) 1.109 3.660 ( 1.227 -1.919 0.000) 2.278 3.693 ( -1.961 1.924 0.000) 2.747 3.766 ( 0.925 -0.760 0.000) 1.197 3.792 ( -1.973 -0.378 0.000) 2.008 3.806 ( -0.875 -2.324 0.000) 2.483 3.823 ( -2.070 0.701 0.000) 2.185 3.879 ( 1.542 0.525 0.000) 1.629 3.913 ( -0.765 -2.102 0.000) 2.237 3.981 ( 0.764 3.161 0.000) 3.252 3.991 ( 0.480 1.050 0.000) 1.154 4.093 ( 0.009 -2.070 0.000) 2.070 4.109 ( -1.179 -1.717 0.000) 2.083 4.211 ( 3.186 -1.636 0.000) 3.582 4.269 ( -2.499 -1.726 0.000) 3.037 4.329 ( 6.254 -3.343 0.000) 7.092 4.423 ( -3.789 -2.417 0.000) 4.495 4.440 ( 1.906 0.773 0.000) 2.056 4.478 ( -1.446 -1.146 0.000) 1.845 4.530 ( -0.061 0.540 0.000) 0.543 4.541 ( -0.331 -0.538 0.000) 0.632 4.608 ( 1.188 1.281 0.000) 1.747 4.651 ( -1.342 -2.739 0.000) 3.050 4.728 ( 4.044 0.082 0.000) 4.045 4.803 ( -4.019 -0.968 0.000) 4.134 4.873 ( 0.304 -1.189 0.000) 1.228 4.878 ( -0.585 -0.754 0.000) 0.954 4.904 ( 0.730 -3.014 0.000) 3.101 4.924 ( -0.465 -4.426 0.000) 4.450 4.981 ( 0.822 -4.082 0.000) 4.164 5.005 ( -1.464 -2.839 0.000) 3.194 5.063 ( 3.186 -1.726 0.000) 3.624 5.117 ( -2.404 -3.770 0.000) 4.471 5.214 ( 1.243 1.030 0.000) 1.614 5.240 ( -1.360 0.406 0.000) 1.420 5.351 ( 2.407 5.302 0.000) 5.823 5.399 ( -2.935 6.438 0.000) 7.076 5.581 ( 3.667 0.752 0.000) 3.743 5.647 ( -2.043 0.557 0.000) 2.117 5.679 ( 3.285 1.323 0.000) 3.542 5.749 ( -2.704 1.323 0.000) 3.010 5.840 ( 0.091 -4.265 0.000) 4.266 5.852 ( -0.801 -4.749 0.000) 4.816 5.894 ( 1.685 -2.150 0.000) 2.731 5.914 ( -0.745 -1.368 0.000) 1.557 5.960 ( 1.016 -2.778 0.000) 2.958 6.009 ( -3.878 -1.295 0.000) 4.088 6.131 ( 2.836 -1.857 0.000) 3.390 6.170 ( -1.073 -2.217 0.000) 2.464 6.254 ( 0.814 -3.469 0.000) 3.563 6.266 ( -0.624 -3.589 0.000) 3.643 6.304 ( 2.753 -4.033 0.000) 4.883 6.360 ( -1.221 -2.381 0.000) 2.676 6.399 ( 1.023 -3.064 0.000) 3.230 6.457 ( -3.190 -0.055 0.000) 3.190 6.512 ( 1.697 -1.973 0.000) 2.602 6.544 ( -2.521 -2.167 0.000) 3.324 6.573 ( 1.091 -1.675 0.000) 1.999 6.623 ( -4.078 -2.682 0.000) 4.881 6.738 ( 3.892 -1.846 0.000) 4.308 6.794 ( -1.770 -0.743 0.000) 1.920 6.834 ( 3.488 -2.089 0.000) 4.065 6.888 ( -2.704 -2.085 0.000) 3.414 6.940 ( 2.837 -2.769 0.000) 3.964 6.973 ( -0.274 -1.955 0.000) 1.974 7.118 ( 0.055 5.928 0.000) 5.928 7.121 ( -0.099 6.021 0.000) 6.021 7.187 ( 0.565 4.531 0.000) 4.566 7.202 ( -0.913 3.484 0.000) 3.602 7.302 ( 3.839 4.291 0.000) 5.757 7.360 ( -1.593 6.502 0.000) 6.694 7.444 ( 0.975 3.657 0.000) 3.785 7.506 ( -5.711 -3.152 0.000) 6.522 9.026 ( 1.534 1.196 0.000) 1.945 9.059 ( -1.836 1.103 0.000) 2.141 9.126 ( 2.201 0.519 0.000) 2.262 9.166 ( -1.910 2.220 0.000) 2.929 9.212 ( -0.345 -0.432 0.000) 0.553 9.221 ( -1.363 0.986 0.000) 1.683 9.276 ( 1.624 3.447 0.000) 3.811 9.313 ( -1.994 -0.260 0.000) 2.011 9.369 ( 0.963 1.443 0.000) 1.735 9.380 ( -0.134 -2.921 0.000) 2.924 9.425 ( 0.949 -1.196 0.000) 1.527 9.457 ( -2.017 1.712 0.000) 2.645 9.559 ( 1.195 -0.299 0.000) 1.232 9.572 ( -0.373 0.340 0.000) 0.504 9.615 ( 0.920 -0.968 0.000) 1.335 9.635 ( -0.857 0.338 0.000) 0.921 9.786 ( 0.575 -3.978 0.000) 4.019 9.817 ( -2.504 -2.328 0.000) 3.419 9.859 ( 1.368 -2.244 0.000) 2.628 9.878 ( -0.735 -1.500 0.000) 1.670 9.902 ( 1.136 -3.963 0.000) 4.123 9.918 ( 0.136 -3.613 0.000) 3.615 9.954 ( 0.855 -3.040 0.000) 3.158 9.964 ( -0.409 -3.009 0.000) 3.036 11.020 ( 0.597 3.264 0.000) 3.319 11.030 ( -0.412 2.968 0.000) 2.996 11.085 ( 0.460 1.433 0.000) 1.504 11.093 ( -0.409 -0.060 0.000) 0.414 11.115 ( 1.945 0.634 0.000) 2.045 11.139 ( -0.128 -0.622 0.000) 0.635 11.195 ( 1.970 1.852 0.000) 2.704 11.207 ( -0.498 4.167 0.000) 4.197 11.306 ( 1.821 3.189 0.000) 3.673 11.329 ( -0.751 1.417 0.000) 1.604 11.345 ( 0.048 -1.408 0.000) 1.408 11.387 ( -2.088 0.848 0.000) 2.253 11.444 ( -1.222 0.198 0.000) 1.238 11.453 ( -0.660 2.167 0.000) 2.266 11.506 ( 0.773 -2.349 0.000) 2.473 11.537 ( -1.700 -1.046 0.000) 1.996 11.555 ( 2.098 1.788 0.000) 2.757 11.602 ( 1.253 1.838 0.000) 2.225 11.618 ( -2.424 1.838 0.000) 3.042 11.662 ( -3.066 0.245 0.000) 3.075 11.710 ( 2.738 0.357 0.000) 2.761 11.743 ( 1.616 0.198 0.000) 1.628 11.808 ( -0.538 -0.433 0.000) 0.691 11.835 ( -0.770 0.415 0.000) 0.875 11.858 ( 0.730 1.951 0.000) 2.083 11.885 ( 2.449 1.273 0.000) 2.760 11.890 ( -1.124 2.356 0.000) 2.611 11.935 ( -2.456 -0.865 0.000) 2.604 12.069 ( 1.162 -0.758 0.000) 1.388 12.096 ( -0.622 -1.377 0.000) 1.511 12.099 ( -0.134 0.214 0.000) 0.252 12.128 ( -1.851 0.173 0.000) 1.859 12.301 ( 3.243 3.160 0.000) 4.528 12.330 ( 0.178 3.200 0.000) 3.205 12.380 ( 3.848 3.576 0.000) 5.253 12.413 ( 1.340 11.891 0.000) 11.966 12.439 ( -0.365 12.710 0.000) 12.715 12.522 ( -8.822 1.125 0.000) 8.894 12.818 ( 6.344 2.676 0.000) 6.886 12.904 ( -3.218 3.777 0.000) 4.962 15.957 ( 0.010 -0.949 0.000) 0.949 15.958 ( -0.127 -0.711 0.000) 0.722 15.978 ( 0.291 -0.435 0.000) 0.523 15.983 ( -0.136 -0.365 0.000) 0.389 16.005 ( 0.767 -1.665 0.000) 1.833 16.020 ( -0.742 -1.683 0.000) 1.839 16.031 ( 0.206 -0.919 0.000) 0.942 16.034 ( -0.139 -1.378 0.000) 1.385 16.850 ( -0.156 -1.201 0.000) 1.211 16.854 ( -0.478 -0.348 0.000) 0.591 16.926 ( -0.041 1.873 0.000) 1.874 16.938 ( -1.229 2.367 0.000) 2.667 17.089 ( 2.700 1.300 0.000) 2.997 17.135 ( 2.083 0.425 0.000) 2.126 17.183 ( 1.275 0.133 0.000) 1.282 17.245 ( 4.060 -0.828 0.000) 4.143 17.330 ( -6.558 -1.448 0.000) 6.716 17.400 ( -6.251 -2.101 0.000) 6.595 17.524 ( 7.699 -2.791 0.000) 8.190 17.638 ( -0.442 4.424 0.000) 4.446 17.771 ( -0.637 8.668 0.000) 8.692 17.806 ( -8.328 1.764 0.000) 8.513 17.857 ( 5.460 0.386 0.000) 5.473 17.936 ( -0.310 4.500 0.000) 4.511 18.018 ( 0.542 3.110 0.000) 3.157 18.072 ( -3.523 1.952 0.000) 4.028 18.414 ( 14.201 -8.668 0.000) 16.637 18.630 ( -9.114 -5.226 0.000) 10.506 19.133 ( 2.253 -20.362 0.000) 20.487 19.186 ( -3.399 -15.532 0.000) 15.899 19.402 ( 6.362 -10.151 0.000) 11.979 19.519 ( -5.897 -6.937 0.000) 9.105 ======================= Grid point 9 (7/30) ======================= q-point: ( 0.00 0.33 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 17.321 0.000) 17.321 1.471 ( 0.000 12.110 0.000) 12.110 1.608 ( 0.000 -1.208 0.000) 1.208 1.731 ( 0.000 1.914 0.000) 1.914 1.785 ( 0.000 -3.013 0.000) 3.013 1.806 ( 0.000 8.488 0.000) 8.488 1.877 ( 0.000 3.724 0.000) 3.724 1.949 ( 0.000 4.529 0.000) 4.529 1.962 ( 0.000 7.635 0.000) 7.635 2.061 ( 0.000 1.245 0.000) 1.245 2.068 ( 0.000 7.321 0.000) 7.321 2.152 ( 0.000 4.064 0.000) 4.064 2.175 ( 0.000 -2.033 0.000) 2.033 2.243 ( 0.000 0.639 0.000) 0.639 2.254 ( 0.000 4.994 0.000) 4.994 2.282 ( 0.000 3.891 0.000) 3.891 2.299 ( 0.000 3.163 0.000) 3.163 2.377 ( 0.000 -0.324 0.000) 0.324 2.388 ( 0.000 2.225 0.000) 2.225 2.416 ( 0.000 2.321 0.000) 2.321 2.487 ( 0.000 3.292 0.000) 3.292 2.510 ( 0.000 7.214 0.000) 7.214 2.538 ( 0.000 1.217 0.000) 1.217 2.577 ( 0.000 1.876 0.000) 1.876 2.621 ( 0.000 1.716 0.000) 1.716 2.651 ( 0.000 3.860 0.000) 3.860 2.686 ( 0.000 5.271 0.000) 5.271 2.738 ( 0.000 -1.444 0.000) 1.444 2.763 ( 0.000 2.918 0.000) 2.918 2.866 ( 0.000 3.507 0.000) 3.507 2.948 ( 0.000 1.976 0.000) 1.976 2.991 ( 0.000 3.279 0.000) 3.279 3.035 ( 0.000 4.498 0.000) 4.498 3.053 ( 0.000 -2.905 0.000) 2.905 3.114 ( 0.000 -1.473 0.000) 1.473 3.181 ( 0.000 -2.496 0.000) 2.496 3.199 ( 0.000 -0.758 0.000) 0.758 3.261 ( 0.000 -0.373 0.000) 0.373 3.322 ( 0.000 3.183 0.000) 3.183 3.323 ( 0.000 -0.910 0.000) 0.910 3.349 ( 0.000 1.545 0.000) 1.545 3.383 ( 0.000 -0.091 0.000) 0.091 3.445 ( 0.000 1.725 0.000) 1.725 3.513 ( 0.000 -3.193 0.000) 3.193 3.520 ( 0.000 -1.730 0.000) 1.730 3.550 ( 0.000 10.950 0.000) 10.950 3.569 ( 0.000 -1.284 0.000) 1.284 3.580 ( 0.000 -3.330 0.000) 3.330 3.607 ( 0.000 -1.723 0.000) 1.723 3.707 ( 0.000 -4.214 0.000) 4.214 3.722 ( 0.000 -0.126 0.000) 0.126 3.813 ( 0.000 4.814 0.000) 4.814 3.867 ( 0.000 1.875 0.000) 1.875 3.906 ( 0.000 6.069 0.000) 6.069 3.914 ( 0.000 4.269 0.000) 4.269 4.019 ( 0.000 7.866 0.000) 7.866 4.026 ( 0.000 2.608 0.000) 2.608 4.037 ( 0.000 2.183 0.000) 2.183 4.075 ( 0.000 6.234 0.000) 6.234 4.140 ( 0.000 1.772 0.000) 1.772 4.200 ( 0.000 3.187 0.000) 3.187 4.236 ( 0.000 -0.865 0.000) 0.865 4.241 ( 0.000 -1.236 0.000) 1.236 4.370 ( 0.000 -4.875 0.000) 4.875 4.454 ( 0.000 1.341 0.000) 1.341 4.481 ( 0.000 0.644 0.000) 0.644 4.513 ( 0.000 0.170 0.000) 0.170 4.573 ( 0.000 0.167 0.000) 0.167 4.628 ( 0.000 1.912 0.000) 1.912 4.690 ( 0.000 2.424 0.000) 2.424 4.698 ( 0.000 -0.358 0.000) 0.358 4.752 ( 0.000 -6.391 0.000) 6.391 4.794 ( 0.000 -3.539 0.000) 3.539 4.844 ( 0.000 -2.347 0.000) 2.347 4.854 ( 0.000 1.361 0.000) 1.361 4.907 ( 0.000 0.828 0.000) 0.828 4.940 ( 0.000 -0.587 0.000) 0.587 4.990 ( 0.000 -0.373 0.000) 0.373 5.073 ( 0.000 1.087 0.000) 1.087 5.106 ( 0.000 0.041 0.000) 0.041 5.273 ( 0.000 6.399 0.000) 6.399 5.291 ( 0.000 4.938 0.000) 4.938 5.431 ( 0.000 5.635 0.000) 5.635 5.574 ( 0.000 5.962 0.000) 5.962 5.577 ( 0.000 1.423 0.000) 1.423 5.654 ( 0.000 -0.086 0.000) 0.086 5.716 ( 0.000 0.515 0.000) 0.515 5.757 ( 0.000 -1.669 0.000) 1.669 5.758 ( 0.000 -1.306 0.000) 1.306 5.810 ( 0.000 -1.199 0.000) 1.199 5.820 ( 0.000 -1.279 0.000) 1.279 5.895 ( 0.000 -0.014 0.000) 0.014 5.995 ( 0.000 3.317 0.000) 3.317 6.030 ( 0.000 -2.578 0.000) 2.578 6.085 ( 0.000 1.735 0.000) 1.735 6.097 ( 0.000 -3.299 0.000) 3.299 6.130 ( 0.000 -6.334 0.000) 6.334 6.193 ( 0.000 -2.919 0.000) 2.919 6.220 ( 0.000 -2.536 0.000) 2.536 6.295 ( 0.000 -5.570 0.000) 5.570 6.338 ( 0.000 -1.473 0.000) 1.473 6.431 ( 0.000 -3.452 0.000) 3.452 6.477 ( 0.000 -2.032 0.000) 2.032 6.538 ( 0.000 -2.574 0.000) 2.574 6.548 ( 0.000 -0.790 0.000) 0.790 6.604 ( 0.000 -3.123 0.000) 3.123 6.636 ( 0.000 -5.347 0.000) 5.347 6.699 ( 0.000 -3.671 0.000) 3.671 6.812 ( 0.000 -0.845 0.000) 0.845 6.813 ( 0.000 -3.976 0.000) 3.976 6.900 ( 0.000 -3.180 0.000) 3.180 6.908 ( 0.000 -0.773 0.000) 0.773 7.213 ( 0.000 2.975 0.000) 2.975 7.226 ( 0.000 4.313 0.000) 4.313 7.260 ( 0.000 3.310 0.000) 3.310 7.318 ( 0.000 0.153 0.000) 0.153 7.326 ( 0.000 5.498 0.000) 5.498 7.428 ( 0.000 -2.574 0.000) 2.574 7.492 ( 0.000 1.172 0.000) 1.172 7.508 ( 0.000 2.920 0.000) 2.920 9.034 ( 0.000 1.046 0.000) 1.046 9.076 ( 0.000 -0.757 0.000) 0.757 9.113 ( 0.000 2.115 0.000) 2.115 9.173 ( 0.000 -3.085 0.000) 3.085 9.184 ( 0.000 -2.228 0.000) 2.228 9.238 ( 0.000 -1.776 0.000) 1.776 9.256 ( 0.000 -3.120 0.000) 3.120 9.299 ( 0.000 -1.610 0.000) 1.610 9.396 ( 0.000 4.838 0.000) 4.838 9.444 ( 0.000 3.395 0.000) 3.395 9.446 ( 0.000 2.038 0.000) 2.038 9.501 ( 0.000 0.754 0.000) 0.754 9.536 ( 0.000 -0.466 0.000) 0.466 9.560 ( 0.000 -2.077 0.000) 2.077 9.599 ( 0.000 0.595 0.000) 0.595 9.636 ( 0.000 -1.195 0.000) 1.195 9.714 ( 0.000 -1.839 0.000) 1.839 9.784 ( 0.000 -2.620 0.000) 2.620 9.810 ( 0.000 -3.420 0.000) 3.420 9.825 ( 0.000 -0.612 0.000) 0.612 9.855 ( 0.000 -1.230 0.000) 1.230 9.885 ( 0.000 0.688 0.000) 0.688 9.922 ( 0.000 1.633 0.000) 1.633 9.924 ( 0.000 -1.545 0.000) 1.545 11.066 ( 0.000 2.774 0.000) 2.774 11.078 ( 0.000 1.994 0.000) 1.994 11.097 ( 0.000 1.024 0.000) 1.024 11.134 ( 0.000 2.744 0.000) 2.744 11.146 ( 0.000 1.210 0.000) 1.210 11.158 ( 0.000 3.352 0.000) 3.352 11.194 ( 0.000 1.607 0.000) 1.607 11.303 ( 0.000 -1.065 0.000) 1.065 11.306 ( 0.000 3.913 0.000) 3.913 11.318 ( 0.000 -1.025 0.000) 1.025 11.398 ( 0.000 1.216 0.000) 1.216 11.408 ( 0.000 -1.117 0.000) 1.117 11.465 ( 0.000 0.060 0.000) 0.060 11.479 ( 0.000 -1.591 0.000) 1.591 11.505 ( 0.000 -1.370 0.000) 1.370 11.521 ( 0.000 -0.423 0.000) 0.423 11.586 ( 0.000 3.890 0.000) 3.890 11.587 ( 0.000 0.816 0.000) 0.816 11.662 ( 0.000 -0.702 0.000) 0.702 11.663 ( 0.000 -2.273 0.000) 2.273 11.702 ( 0.000 2.439 0.000) 2.439 11.784 ( 0.000 0.079 0.000) 0.079 11.793 ( 0.000 1.622 0.000) 1.622 11.839 ( 0.000 1.203 0.000) 1.203 11.860 ( 0.000 -0.891 0.000) 0.891 11.899 ( 0.000 0.512 0.000) 0.512 11.942 ( 0.000 2.126 0.000) 2.126 11.985 ( 0.000 4.039 0.000) 4.039 12.022 ( 0.000 -2.195 0.000) 2.195 12.045 ( 0.000 -3.112 0.000) 3.112 12.104 ( 0.000 -3.089 0.000) 3.089 12.118 ( 0.000 1.722 0.000) 1.722 12.296 ( 0.000 1.528 0.000) 1.528 12.332 ( 0.000 0.224 0.000) 0.224 12.540 ( 0.000 7.795 0.000) 7.795 12.574 ( 0.000 7.932 0.000) 7.932 12.718 ( 0.000 1.423 0.000) 1.423 12.727 ( 0.000 2.318 0.000) 2.318 12.753 ( 0.000 14.491 0.000) 14.491 13.039 ( 0.000 5.201 0.000) 5.201 15.934 ( 0.000 -0.899 0.000) 0.899 15.952 ( 0.000 -0.726 0.000) 0.726 15.962 ( 0.000 -0.467 0.000) 0.467 15.968 ( 0.000 -0.732 0.000) 0.732 15.978 ( 0.000 -0.128 0.000) 0.128 15.994 ( 0.000 -1.529 0.000) 1.529 16.002 ( 0.000 -1.377 0.000) 1.377 16.013 ( 0.000 -0.884 0.000) 0.884 16.817 ( 0.000 -1.629 0.000) 1.629 16.877 ( 0.000 1.708 0.000) 1.708 16.974 ( 0.000 2.504 0.000) 2.504 17.030 ( 0.000 4.203 0.000) 4.203 17.031 ( 0.000 -4.257 0.000) 4.257 17.099 ( 0.000 1.497 0.000) 1.497 17.132 ( 0.000 0.025 0.000) 0.025 17.250 ( 0.000 -4.103 0.000) 4.103 17.298 ( 0.000 1.314 0.000) 1.314 17.361 ( 0.000 -4.231 0.000) 4.231 17.501 ( 0.000 -3.811 0.000) 3.811 17.636 ( 0.000 -4.604 0.000) 4.604 17.653 ( 0.000 -8.854 0.000) 8.854 17.769 ( 0.000 -10.107 0.000) 10.107 17.775 ( 0.000 -13.358 0.000) 13.358 18.045 ( 0.000 6.313 0.000) 6.313 18.065 ( 0.000 1.932 0.000) 1.932 18.220 ( 0.000 2.630 0.000) 2.630 18.305 ( 0.000 14.372 0.000) 14.372 18.711 ( 0.000 -10.496 0.000) 10.496 18.773 ( 0.000 6.416 0.000) 6.416 19.055 ( 0.000 -7.282 0.000) 7.282 19.071 ( 0.000 -8.586 0.000) 8.586 19.448 ( 0.000 -6.819 0.000) 6.819 ======================= Grid point 10 (8/30) ======================= q-point: ( 0.33 0.33 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 2.034 12.833 0.000) 12.993 1.476 ( 0.103 11.459 0.000) 11.459 1.579 ( -0.229 2.873 0.000) 2.882 1.663 ( -8.068 5.743 0.000) 9.903 1.773 ( 3.026 8.106 0.000) 8.653 1.835 ( -1.432 4.953 0.000) 5.155 1.866 ( 3.759 0.464 0.000) 3.788 1.959 ( -3.020 3.500 0.000) 4.623 2.028 ( 3.050 2.124 0.000) 3.716 2.047 ( -0.497 1.761 0.000) 1.829 2.083 ( 1.946 2.657 0.000) 3.293 2.111 ( -0.456 2.687 0.000) 2.725 2.225 ( 0.783 4.926 0.000) 4.988 2.230 ( -0.569 2.486 0.000) 2.551 2.253 ( -0.765 2.505 0.000) 2.619 2.258 ( -1.786 -0.206 0.000) 1.798 2.328 ( 4.690 3.069 0.000) 5.605 2.389 ( -1.510 1.687 0.000) 2.264 2.423 ( 3.937 1.479 0.000) 4.206 2.446 ( 2.845 3.048 0.000) 4.170 2.485 ( 0.081 3.333 0.000) 3.334 2.509 ( 0.141 5.639 0.000) 5.641 2.533 ( -0.909 2.167 0.000) 2.350 2.562 ( -2.689 3.845 0.000) 4.692 2.586 ( -1.996 0.750 0.000) 2.132 2.612 ( -3.345 1.633 0.000) 3.723 2.685 ( 1.009 4.483 0.000) 4.595 2.711 ( -1.334 3.430 0.000) 3.681 2.820 ( 3.517 0.518 0.000) 3.555 2.881 ( -3.322 -0.539 0.000) 3.365 2.904 ( 2.906 5.662 0.000) 6.364 2.976 ( -3.472 4.158 0.000) 5.417 3.038 ( 0.493 1.511 0.000) 1.589 3.054 ( -0.658 -0.730 0.000) 0.982 3.130 ( 2.255 0.186 0.000) 2.263 3.158 ( -1.176 1.030 0.000) 1.563 3.239 ( 2.333 -0.532 0.000) 2.393 3.260 ( -0.485 2.921 0.000) 2.961 3.297 ( -0.978 2.330 0.000) 2.527 3.315 ( -1.090 -2.898 0.000) 3.097 3.369 ( 1.250 -1.965 0.000) 2.329 3.408 ( 0.131 -1.322 0.000) 1.328 3.419 ( 0.928 0.987 0.000) 1.354 3.474 ( -3.722 -0.808 0.000) 3.809 3.492 ( -0.792 -1.998 0.000) 2.150 3.533 ( -3.540 -1.604 0.000) 3.887 3.583 ( 2.424 1.063 0.000) 2.647 3.597 ( 0.699 1.253 0.000) 1.435 3.650 ( 4.477 0.694 0.000) 4.530 3.711 ( 0.092 1.215 0.000) 1.218 3.740 ( 0.776 -1.755 0.000) 1.919 3.786 ( -3.177 1.361 0.000) 3.456 3.854 ( -0.008 4.713 0.000) 4.713 3.877 ( -2.333 4.556 0.000) 5.119 3.955 ( 3.265 5.767 0.000) 6.627 3.998 ( -1.305 6.107 0.000) 6.245 4.055 ( 1.771 5.960 0.000) 6.218 4.065 ( 1.402 2.875 0.000) 3.198 4.084 ( 1.002 4.479 0.000) 4.589 4.121 ( -2.210 1.088 0.000) 2.463 4.184 ( 0.909 0.172 0.000) 0.925 4.219 ( -1.748 -0.859 0.000) 1.947 4.293 ( 3.490 -1.086 0.000) 3.655 4.350 ( -2.409 -3.476 0.000) 4.229 4.458 ( 0.767 1.056 0.000) 1.306 4.476 ( -0.813 0.638 0.000) 1.033 4.520 ( 1.224 0.117 0.000) 1.230 4.553 ( -1.981 -0.033 0.000) 1.981 4.644 ( 1.507 2.386 0.000) 2.822 4.670 ( -1.339 2.353 0.000) 2.707 4.717 ( 1.312 -1.764 0.000) 2.198 4.741 ( -1.158 -4.732 0.000) 4.872 4.807 ( 0.823 -3.322 0.000) 3.422 4.820 ( -1.007 -1.127 0.000) 1.511 4.877 ( 1.106 -0.317 0.000) 1.151 4.894 ( -0.880 0.203 0.000) 0.903 4.957 ( 1.252 -0.081 0.000) 1.254 4.979 ( -1.095 -0.098 0.000) 1.099 5.078 ( 0.616 0.875 0.000) 1.070 5.095 ( -1.076 0.318 0.000) 1.122 5.275 ( 0.369 6.048 0.000) 6.059 5.286 ( -0.594 5.366 0.000) 5.399 5.463 ( 3.138 5.369 0.000) 6.219 5.524 ( -3.273 5.020 0.000) 5.992 5.609 ( 1.532 2.264 0.000) 2.734 5.637 ( -1.532 0.878 0.000) 1.766 5.734 ( 1.414 -1.834 0.000) 2.316 5.752 ( -0.562 -2.620 0.000) 2.680 5.767 ( 0.634 -0.771 0.000) 0.998 5.779 ( -1.031 -1.200 0.000) 1.582 5.873 ( 3.281 -0.131 0.000) 3.284 5.915 ( 1.947 1.322 0.000) 2.353 5.949 ( -3.532 0.350 0.000) 3.549 5.979 ( -3.474 0.124 0.000) 3.476 6.118 ( 1.922 0.859 0.000) 2.105 6.128 ( 0.956 -1.992 0.000) 2.210 6.153 ( 2.428 -5.538 0.000) 6.047 6.190 ( -1.471 -3.123 0.000) 3.452 6.223 ( 2.092 -4.040 0.000) 4.549 6.275 ( -2.561 -4.954 0.000) 5.577 6.346 ( 1.728 -2.598 0.000) 3.120 6.412 ( -4.774 -4.319 0.000) 6.438 6.464 ( 2.228 -2.096 0.000) 3.059 6.510 ( -1.782 -1.423 0.000) 2.280 6.548 ( 0.159 -0.891 0.000) 0.905 6.570 ( -2.410 -2.310 0.000) 3.338 6.681 ( 4.120 -4.338 0.000) 5.983 6.735 ( -0.560 -5.743 0.000) 5.771 6.796 ( 1.099 -1.136 0.000) 1.581 6.828 ( -1.133 -2.992 0.000) 3.199 6.884 ( 1.482 -1.704 0.000) 2.259 6.918 ( -0.862 -2.645 0.000) 2.782 7.214 ( 0.153 3.196 0.000) 3.200 7.220 ( -0.476 3.726 0.000) 3.757 7.273 ( 1.210 3.477 0.000) 3.682 7.297 ( -1.383 3.108 0.000) 3.402 7.353 ( 2.240 1.835 0.000) 2.896 7.400 ( -2.614 -0.845 0.000) 2.747 7.497 ( 0.418 1.588 0.000) 1.642 7.504 ( -0.343 2.531 0.000) 2.554 9.053 ( 1.849 1.288 0.000) 2.254 9.081 ( -0.521 0.886 0.000) 1.028 9.125 ( 2.121 0.318 0.000) 2.145 9.174 ( -0.772 -1.518 0.000) 1.703 9.181 ( -0.470 -1.462 0.000) 1.536 9.216 ( -2.629 -2.123 0.000) 3.379 9.234 ( -0.039 -3.416 0.000) 3.416 9.264 ( -2.498 -3.320 0.000) 4.155 9.409 ( 1.587 4.240 0.000) 4.528 9.440 ( -1.134 3.270 0.000) 3.461 9.463 ( 1.717 2.153 0.000) 2.754 9.496 ( -1.433 1.305 0.000) 1.939 9.544 ( 1.534 -0.606 0.000) 1.649 9.569 ( -0.331 -1.307 0.000) 1.348 9.594 ( 0.818 0.204 0.000) 0.843 9.625 ( -1.503 -0.824 0.000) 1.713 9.723 ( 1.767 -2.297 0.000) 2.898 9.767 ( -2.336 -2.861 0.000) 3.694 9.817 ( 1.499 -1.662 0.000) 2.238 9.843 ( 0.276 -0.357 0.000) 0.451 9.861 ( -0.716 -0.479 0.000) 0.861 9.875 ( 0.014 -0.472 0.000) 0.472 9.922 ( 1.095 -1.090 0.000) 1.545 9.938 ( 0.130 0.222 0.000) 0.257 11.071 ( 0.429 2.225 0.000) 2.266 11.078 ( -0.245 1.741 0.000) 1.758 11.107 ( 0.931 1.584 0.000) 1.837 11.123 ( -0.801 1.810 0.000) 1.979 11.162 ( 1.091 2.698 0.000) 2.911 11.168 ( 0.513 3.063 0.000) 3.105 11.218 ( 2.707 0.721 0.000) 2.801 11.274 ( -2.828 1.015 0.000) 3.005 11.315 ( 1.215 -1.019 0.000) 1.586 11.340 ( 1.321 0.916 0.000) 1.607 11.355 ( -1.470 0.022 0.000) 1.470 11.420 ( -2.850 1.943 0.000) 3.449 11.444 ( -2.028 -1.288 0.000) 2.403 11.458 ( -0.454 -0.369 0.000) 0.585 11.476 ( -0.461 -0.741 0.000) 0.873 11.492 ( -1.802 -1.879 0.000) 2.604 11.595 ( 2.062 1.332 0.000) 2.454 11.628 ( -1.372 0.122 0.000) 1.378 11.638 ( 3.395 1.397 0.000) 3.671 11.690 ( -1.172 0.706 0.000) 1.368 11.728 ( 1.823 1.717 0.000) 2.504 11.763 ( -2.286 0.650 0.000) 2.376 11.794 ( 2.008 0.342 0.000) 2.037 11.839 ( -1.768 0.018 0.000) 1.768 11.867 ( 1.924 -0.426 0.000) 1.970 11.899 ( -0.584 -0.580 0.000) 0.824 11.955 ( 1.297 3.985 0.000) 4.191 11.978 ( -0.870 4.332 0.000) 4.419 12.032 ( 0.690 -2.754 0.000) 2.839 12.042 ( -0.457 -3.234 0.000) 3.266 12.099 ( 0.362 -0.924 0.000) 0.993 12.115 ( -0.712 0.436 0.000) 0.835 12.346 ( 4.355 1.678 0.000) 4.667 12.383 ( 5.417 1.412 0.000) 5.598 12.450 ( -4.976 3.833 0.000) 6.281 12.543 ( -9.627 1.081 0.000) 9.688 12.656 ( 4.700 10.797 0.000) 11.775 12.726 ( -2.860 13.035 0.000) 13.345 12.887 ( 7.968 3.557 0.000) 8.726 12.999 ( -4.391 4.700 0.000) 6.432 15.937 ( 0.308 -0.775 0.000) 0.834 15.945 ( -0.529 -0.586 0.000) 0.789 15.970 ( 0.633 -1.008 0.000) 1.190 15.973 ( 0.301 -0.443 0.000) 0.536 15.978 ( 0.021 -0.287 0.000) 0.288 15.986 ( -0.713 -1.433 0.000) 1.601 16.006 ( 0.295 -1.255 0.000) 1.289 16.011 ( -0.226 -1.004 0.000) 1.029 16.824 ( 1.033 -0.726 0.000) 1.263 16.855 ( -2.060 0.952 0.000) 2.270 16.975 ( 0.580 2.737 0.000) 2.798 17.001 ( -2.134 3.657 0.000) 4.234 17.100 ( 6.270 -3.628 0.000) 7.244 17.114 ( 2.748 0.061 0.000) 2.749 17.184 ( -0.898 -0.085 0.000) 0.902 17.240 ( 4.621 0.050 0.000) 4.622 17.258 ( -7.886 -4.347 0.000) 9.005 17.334 ( -1.309 -2.873 0.000) 3.157 17.446 ( -0.186 -2.775 0.000) 2.781 17.563 ( -9.510 -10.187 0.000) 13.936 17.725 ( 7.361 -6.650 0.000) 9.920 17.789 ( 4.130 -8.880 0.000) 9.793 17.821 ( 1.593 -7.334 0.000) 7.505 17.947 ( -8.419 -0.615 0.000) 8.441 18.103 ( 3.243 5.050 0.000) 6.001 18.168 ( -3.614 8.420 0.000) 9.163 18.456 ( 12.089 6.216 0.000) 13.593 18.666 ( -10.044 4.718 0.000) 11.097 18.786 ( 6.863 -8.520 0.000) 10.940 18.923 ( -7.645 -6.484 0.000) 10.025 19.232 ( 9.685 -7.229 0.000) 12.085 19.385 ( -6.651 -6.714 0.000) 9.450 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.00 0.44 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 -1.151 0.000) 1.151 1.535 ( 0.000 -1.647 0.000) 1.647 1.712 ( 0.000 7.345 0.000) 7.345 1.781 ( 0.000 -0.038 0.000) 0.038 1.823 ( 0.000 6.510 0.000) 6.510 1.942 ( 0.000 2.733 0.000) 2.733 1.949 ( 0.000 -3.706 0.000) 3.706 1.974 ( 0.000 0.459 0.000) 0.459 2.020 ( 0.000 3.733 0.000) 3.733 2.088 ( 0.000 -0.017 0.000) 0.017 2.172 ( 0.000 2.785 0.000) 2.785 2.213 ( 0.000 4.661 0.000) 4.661 2.269 ( 0.000 2.169 0.000) 2.169 2.270 ( 0.000 1.807 0.000) 1.807 2.323 ( 0.000 1.146 0.000) 1.146 2.331 ( 0.000 0.384 0.000) 0.384 2.349 ( 0.000 3.671 0.000) 3.671 2.360 ( 0.000 1.873 0.000) 1.873 2.397 ( 0.000 -0.343 0.000) 0.343 2.434 ( 0.000 -1.855 0.000) 1.855 2.537 ( 0.000 2.405 0.000) 2.405 2.560 ( 0.000 1.983 0.000) 1.983 2.583 ( 0.000 -1.207 0.000) 1.207 2.596 ( 0.000 0.488 0.000) 0.488 2.689 ( 0.000 2.488 0.000) 2.488 2.719 ( 0.000 3.689 0.000) 3.689 2.730 ( 0.000 4.653 0.000) 4.653 2.764 ( 0.000 0.844 0.000) 0.844 2.828 ( 0.000 -0.877 0.000) 0.877 2.858 ( 0.000 -3.464 0.000) 3.464 2.954 ( 0.000 -0.804 0.000) 0.804 2.958 ( 0.000 -5.223 0.000) 5.223 2.998 ( 0.000 -0.647 0.000) 0.647 3.030 ( 0.000 -1.605 0.000) 1.605 3.123 ( 0.000 3.316 0.000) 3.316 3.150 ( 0.000 0.130 0.000) 0.130 3.214 ( 0.000 -1.894 0.000) 1.894 3.243 ( 0.000 2.821 0.000) 2.821 3.279 ( 0.000 -2.198 0.000) 2.198 3.289 ( 0.000 -1.677 0.000) 1.677 3.336 ( 0.000 -7.516 0.000) 7.516 3.366 ( 0.000 -3.378 0.000) 3.378 3.420 ( 0.000 0.603 0.000) 0.603 3.433 ( 0.000 -1.718 0.000) 1.718 3.469 ( 0.000 -0.152 0.000) 0.152 3.495 ( 0.000 -2.946 0.000) 2.946 3.607 ( 0.000 4.069 0.000) 4.069 3.630 ( 0.000 2.258 0.000) 2.258 3.663 ( 0.000 -1.173 0.000) 1.173 3.693 ( 0.000 -1.114 0.000) 1.114 3.754 ( 0.000 2.080 0.000) 2.080 3.801 ( 0.000 -3.302 0.000) 3.302 3.950 ( 0.000 7.533 0.000) 7.533 4.020 ( 0.000 5.163 0.000) 5.163 4.041 ( 0.000 2.034 0.000) 2.034 4.050 ( 0.000 1.392 0.000) 1.392 4.123 ( 0.000 3.173 0.000) 3.173 4.134 ( 0.000 -1.003 0.000) 1.003 4.152 ( 0.000 0.767 0.000) 0.767 4.187 ( 0.000 6.268 0.000) 6.268 4.234 ( 0.000 -0.484 0.000) 0.484 4.253 ( 0.000 2.117 0.000) 2.117 4.293 ( 0.000 2.633 0.000) 2.633 4.304 ( 0.000 -1.978 0.000) 1.978 4.473 ( 0.000 1.093 0.000) 1.093 4.489 ( 0.000 0.147 0.000) 0.147 4.525 ( 0.000 0.391 0.000) 0.391 4.550 ( 0.000 -2.279 0.000) 2.279 4.675 ( 0.000 1.745 0.000) 1.745 4.691 ( 0.000 1.098 0.000) 1.098 4.709 ( 0.000 2.676 0.000) 2.676 4.714 ( 0.000 -0.860 0.000) 0.860 4.734 ( 0.000 -2.320 0.000) 2.320 4.778 ( 0.000 -3.577 0.000) 3.577 4.897 ( 0.000 1.954 0.000) 1.954 4.925 ( 0.000 -0.995 0.000) 0.995 4.946 ( 0.000 2.700 0.000) 2.700 4.990 ( 0.000 -0.795 0.000) 0.795 5.077 ( 0.000 0.280 0.000) 0.280 5.097 ( 0.000 -1.154 0.000) 1.154 5.445 ( 0.000 8.535 0.000) 8.535 5.448 ( 0.000 9.035 0.000) 9.035 5.551 ( 0.000 5.965 0.000) 5.965 5.582 ( 0.000 -1.804 0.000) 1.804 5.605 ( 0.000 -4.653 0.000) 4.653 5.659 ( 0.000 -2.999 0.000) 2.999 5.670 ( 0.000 -0.010 0.000) 0.010 5.701 ( 0.000 -3.050 0.000) 3.050 5.761 ( 0.000 2.242 0.000) 2.242 5.801 ( 0.000 -0.356 0.000) 0.356 5.845 ( 0.000 2.227 0.000) 2.227 5.910 ( 0.000 -3.300 0.000) 3.300 5.937 ( 0.000 0.479 0.000) 0.479 5.995 ( 0.000 -4.382 0.000) 4.382 6.060 ( 0.000 0.230 0.000) 0.230 6.085 ( 0.000 1.863 0.000) 1.863 6.124 ( 0.000 -2.103 0.000) 2.103 6.181 ( 0.000 -4.779 0.000) 4.779 6.219 ( 0.000 2.782 0.000) 2.782 6.219 ( 0.000 6.725 0.000) 6.725 6.319 ( 0.000 0.228 0.000) 0.228 6.360 ( 0.000 -3.223 0.000) 3.223 6.412 ( 0.000 -2.413 0.000) 2.413 6.508 ( 0.000 -0.057 0.000) 0.057 6.516 ( 0.000 -6.601 0.000) 6.601 6.539 ( 0.000 -0.502 0.000) 0.502 6.554 ( 0.000 -6.583 0.000) 6.583 6.554 ( 0.000 -2.148 0.000) 2.148 6.783 ( 0.000 0.188 0.000) 0.188 6.794 ( 0.000 -0.730 0.000) 0.730 6.870 ( 0.000 0.239 0.000) 0.239 6.889 ( 0.000 -1.140 0.000) 1.140 7.257 ( 0.000 1.584 0.000) 1.584 7.282 ( 0.000 0.189 0.000) 0.189 7.298 ( 0.000 -0.050 0.000) 0.050 7.303 ( 0.000 0.715 0.000) 0.715 7.400 ( 0.000 1.553 0.000) 1.553 7.410 ( 0.000 -0.033 0.000) 0.033 7.517 ( 0.000 1.592 0.000) 1.592 7.540 ( 0.000 -0.059 0.000) 0.059 9.055 ( 0.000 1.069 0.000) 1.069 9.070 ( 0.000 -0.091 0.000) 0.091 9.120 ( 0.000 -1.612 0.000) 1.612 9.128 ( 0.000 -1.964 0.000) 1.964 9.168 ( 0.000 2.170 0.000) 2.170 9.201 ( 0.000 -1.686 0.000) 1.686 9.224 ( 0.000 0.488 0.000) 0.488 9.262 ( 0.000 -2.425 0.000) 2.425 9.452 ( 0.000 0.885 0.000) 0.885 9.465 ( 0.000 -0.316 0.000) 0.316 9.492 ( 0.000 1.657 0.000) 1.657 9.505 ( 0.000 0.126 0.000) 0.126 9.543 ( 0.000 0.633 0.000) 0.633 9.544 ( 0.000 0.175 0.000) 0.175 9.595 ( 0.000 -0.577 0.000) 0.577 9.604 ( 0.000 -1.453 0.000) 1.453 9.706 ( 0.000 0.573 0.000) 0.573 9.735 ( 0.000 -2.084 0.000) 2.084 9.789 ( 0.000 1.111 0.000) 1.111 9.813 ( 0.000 -0.792 0.000) 0.792 9.858 ( 0.000 1.144 0.000) 1.144 9.890 ( 0.000 -1.584 0.000) 1.584 9.921 ( 0.000 1.733 0.000) 1.733 9.943 ( 0.000 -0.012 0.000) 0.012 11.109 ( 0.000 1.256 0.000) 1.256 11.115 ( 0.000 1.192 0.000) 1.192 11.138 ( 0.000 2.096 0.000) 2.096 11.161 ( 0.000 0.164 0.000) 0.164 11.178 ( 0.000 1.187 0.000) 1.187 11.192 ( 0.000 -0.203 0.000) 0.203 11.240 ( 0.000 3.006 0.000) 3.006 11.290 ( 0.000 -1.119 0.000) 1.119 11.312 ( 0.000 1.136 0.000) 1.136 11.342 ( 0.000 -0.674 0.000) 0.674 11.381 ( 0.000 -0.275 0.000) 0.275 11.400 ( 0.000 -0.722 0.000) 0.722 11.440 ( 0.000 -1.318 0.000) 1.318 11.449 ( 0.000 -1.538 0.000) 1.538 11.485 ( 0.000 -0.026 0.000) 0.026 11.501 ( 0.000 -1.422 0.000) 1.422 11.596 ( 0.000 0.956 0.000) 0.956 11.625 ( 0.000 -0.919 0.000) 0.919 11.672 ( 0.000 2.556 0.000) 2.556 11.683 ( 0.000 3.219 0.000) 3.219 11.720 ( 0.000 -1.008 0.000) 1.008 11.756 ( 0.000 -3.140 0.000) 3.140 11.829 ( 0.000 3.247 0.000) 3.247 11.843 ( 0.000 0.442 0.000) 0.442 11.876 ( 0.000 -1.055 0.000) 1.055 11.880 ( 0.000 -1.530 0.000) 1.530 11.986 ( 0.000 1.755 0.000) 1.755 11.990 ( 0.000 -0.717 0.000) 0.717 11.995 ( 0.000 -0.193 0.000) 0.193 12.029 ( 0.000 -1.790 0.000) 1.790 12.100 ( 0.000 3.181 0.000) 3.181 12.140 ( 0.000 -0.293 0.000) 0.293 12.317 ( 0.000 0.645 0.000) 0.645 12.328 ( 0.000 -0.452 0.000) 0.452 12.670 ( 0.000 4.599 0.000) 4.599 12.703 ( 0.000 4.034 0.000) 4.034 12.728 ( 0.000 -0.471 0.000) 0.471 12.753 ( 0.000 -0.216 0.000) 0.216 13.001 ( 0.000 8.937 0.000) 8.937 13.098 ( 0.000 -0.453 0.000) 0.453 15.925 ( 0.000 -0.012 0.000) 0.012 15.933 ( 0.000 -0.789 0.000) 0.789 15.958 ( 0.000 0.084 0.000) 0.084 15.964 ( 0.000 -0.201 0.000) 0.201 15.972 ( 0.000 -0.347 0.000) 0.347 15.979 ( 0.000 -0.783 0.000) 0.783 15.981 ( 0.000 0.409 0.000) 0.409 15.995 ( 0.000 -0.834 0.000) 0.834 16.818 ( 0.000 2.253 0.000) 2.253 16.909 ( 0.000 -5.691 0.000) 5.691 16.947 ( 0.000 4.527 0.000) 4.527 17.037 ( 0.000 1.645 0.000) 1.645 17.073 ( 0.000 -0.043 0.000) 0.043 17.131 ( 0.000 1.341 0.000) 1.341 17.161 ( 0.000 1.049 0.000) 1.049 17.177 ( 0.000 -4.560 0.000) 4.560 17.273 ( 0.000 2.243 0.000) 2.243 17.364 ( 0.000 2.464 0.000) 2.464 17.405 ( 0.000 -3.683 0.000) 3.683 17.448 ( 0.000 -10.055 0.000) 10.055 17.490 ( 0.000 -5.002 0.000) 5.002 17.517 ( 0.000 -8.400 0.000) 8.400 17.746 ( 0.000 6.371 0.000) 6.371 17.977 ( 0.000 -13.836 0.000) 13.836 18.150 ( 0.000 3.061 0.000) 3.061 18.166 ( 0.000 0.692 0.000) 0.692 18.579 ( 0.000 11.891 0.000) 11.891 18.745 ( 0.000 7.381 0.000) 7.381 18.784 ( 0.000 -6.442 0.000) 6.442 18.912 ( 0.000 -7.251 0.000) 7.251 19.090 ( 0.000 9.291 0.000) 9.291 19.288 ( 0.000 -8.954 0.000) 8.954 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.33 0.44 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.692 0.473 0.000) 1.757 1.562 ( 0.656 -1.768 0.000) 1.886 1.678 ( -1.330 5.437 0.000) 5.597 1.718 ( -4.540 1.247 0.000) 4.708 1.865 ( 3.326 3.641 0.000) 4.931 1.914 ( -1.542 0.189 0.000) 1.553 1.960 ( 0.112 2.572 0.000) 2.575 1.979 ( -1.307 -0.401 0.000) 1.367 2.073 ( 3.949 0.402 0.000) 3.969 2.094 ( 1.906 1.800 0.000) 2.621 2.182 ( 0.421 4.848 0.000) 4.866 2.208 ( -3.324 5.180 0.000) 6.155 2.256 ( 2.951 4.360 0.000) 5.265 2.273 ( 0.002 0.369 0.000) 0.369 2.300 ( -2.809 4.278 0.000) 5.118 2.330 ( -3.030 4.222 0.000) 5.196 2.346 ( 3.290 -2.116 0.000) 3.911 2.394 ( 2.286 -1.904 0.000) 2.975 2.411 ( -0.150 -1.473 0.000) 1.480 2.452 ( 1.655 -2.584 0.000) 3.068 2.518 ( -1.772 -1.070 0.000) 2.070 2.522 ( -1.446 0.141 0.000) 1.453 2.564 ( -0.475 2.153 0.000) 2.205 2.591 ( -2.187 0.317 0.000) 2.210 2.669 ( -0.308 3.143 0.000) 3.158 2.685 ( -1.799 4.355 0.000) 4.712 2.778 ( 1.805 4.008 0.000) 4.396 2.787 ( 1.387 1.535 0.000) 2.069 2.833 ( 0.878 0.093 0.000) 0.882 2.855 ( -0.691 -0.405 0.000) 0.801 2.951 ( 0.664 -2.039 0.000) 2.145 2.963 ( -0.391 -3.498 0.000) 3.520 3.023 ( 3.104 1.905 0.000) 3.642 3.078 ( -1.402 2.951 0.000) 3.267 3.097 ( 3.506 -2.493 0.000) 4.302 3.164 ( -0.970 -3.190 0.000) 3.334 3.213 ( -0.151 0.721 0.000) 0.736 3.244 ( 0.235 -1.927 0.000) 1.942 3.254 ( -0.947 -1.588 0.000) 1.849 3.296 ( -1.635 -4.985 0.000) 5.246 3.318 ( 0.158 -0.637 0.000) 0.656 3.368 ( -3.847 -0.937 0.000) 3.959 3.369 ( 0.004 -3.641 0.000) 3.641 3.390 ( -1.515 -3.204 0.000) 3.544 3.469 ( 0.492 0.776 0.000) 0.919 3.498 ( -2.104 -1.850 0.000) 2.801 3.582 ( 1.165 1.257 0.000) 1.713 3.620 ( -1.993 -1.907 0.000) 2.758 3.715 ( 4.308 3.477 0.000) 5.537 3.744 ( 2.834 1.573 0.000) 3.241 3.762 ( 0.369 1.006 0.000) 1.072 3.797 ( -1.221 -1.634 0.000) 2.040 3.976 ( 2.005 6.746 0.000) 7.038 4.005 ( -1.255 5.892 0.000) 6.024 4.052 ( 0.695 0.271 0.000) 0.746 4.061 ( 1.522 2.423 0.000) 2.861 4.093 ( -1.375 3.086 0.000) 3.378 4.124 ( -2.040 1.087 0.000) 2.312 4.156 ( 1.016 -0.296 0.000) 1.058 4.186 ( -2.089 1.298 0.000) 2.460 4.238 ( 2.561 3.483 0.000) 4.323 4.274 ( 1.447 -0.271 0.000) 1.473 4.282 ( -0.922 3.410 0.000) 3.533 4.310 ( -0.665 0.094 0.000) 0.671 4.468 ( 0.099 0.079 0.000) 0.126 4.480 ( -0.829 -0.600 0.000) 1.024 4.517 ( -0.290 -0.348 0.000) 0.453 4.531 ( -1.516 -1.626 0.000) 2.223 4.688 ( 1.096 1.637 0.000) 1.970 4.695 ( 0.283 1.276 0.000) 1.307 4.707 ( -0.012 2.191 0.000) 2.191 4.714 ( -0.348 0.544 0.000) 0.646 4.750 ( 1.398 -2.821 0.000) 3.148 4.771 ( -0.802 -3.430 0.000) 3.522 4.898 ( 0.182 1.510 0.000) 1.521 4.908 ( -0.992 0.636 0.000) 1.178 4.964 ( 1.210 0.764 0.000) 1.431 4.982 ( -0.775 -0.330 0.000) 0.842 5.081 ( 0.429 0.020 0.000) 0.429 5.091 ( -0.572 -0.693 0.000) 0.899 5.444 ( 0.037 8.776 0.000) 8.776 5.447 ( -0.206 8.906 0.000) 8.908 5.563 ( 0.987 2.861 0.000) 3.026 5.577 ( -0.548 -0.926 0.000) 1.076 5.624 ( 2.138 -2.214 0.000) 3.078 5.660 ( -0.325 -0.614 0.000) 0.694 5.673 ( 0.162 -0.849 0.000) 0.864 5.683 ( -1.978 -3.195 0.000) 3.757 5.750 ( 0.488 0.680 0.000) 0.837 5.778 ( -2.126 -0.633 0.000) 2.218 5.865 ( 1.647 -0.198 0.000) 1.659 5.896 ( -1.572 -3.150 0.000) 3.521 5.972 ( 3.910 3.632 0.000) 5.337 6.037 ( -2.621 3.004 0.000) 3.986 6.054 ( 4.804 -4.121 0.000) 6.329 6.099 ( 1.388 -0.446 0.000) 1.458 6.118 ( -1.028 -3.155 0.000) 3.318 6.139 ( -3.535 -2.358 0.000) 4.250 6.219 ( -0.119 1.122 0.000) 1.129 6.221 ( -0.068 3.671 0.000) 3.672 6.309 ( -0.537 0.331 0.000) 0.631 6.326 ( -2.687 -2.062 0.000) 3.387 6.416 ( 1.643 -2.587 0.000) 3.065 6.463 ( -3.186 -4.448 0.000) 5.471 6.534 ( 0.442 -0.395 0.000) 0.593 6.539 ( 0.128 -0.204 0.000) 0.241 6.572 ( 2.602 -4.280 0.000) 5.009 6.591 ( 0.785 -5.836 0.000) 5.888 6.786 ( 0.352 0.009 0.000) 0.352 6.793 ( -0.245 -0.726 0.000) 0.766 6.871 ( 0.427 0.211 0.000) 0.477 6.884 ( -0.647 -0.944 0.000) 1.144 7.261 ( 0.488 1.681 0.000) 1.750 7.274 ( -0.874 1.687 0.000) 1.900 7.294 ( 0.334 -1.089 0.000) 1.139 7.303 ( -0.432 -0.640 0.000) 0.773 7.403 ( 0.482 1.745 0.000) 1.810 7.411 ( -0.143 1.045 0.000) 1.054 7.521 ( 0.524 0.964 0.000) 1.097 7.533 ( -0.649 0.167 0.000) 0.670 9.076 ( 2.091 1.018 0.000) 2.326 9.090 ( 1.625 -0.003 0.000) 1.625 9.136 ( 1.198 -1.096 0.000) 1.624 9.143 ( -0.422 -0.825 0.000) 0.926 9.149 ( 0.326 0.314 0.000) 0.453 9.176 ( -1.485 -2.023 0.000) 2.510 9.192 ( -2.528 0.524 0.000) 2.581 9.221 ( -3.602 -1.800 0.000) 4.027 9.462 ( 0.141 0.932 0.000) 0.943 9.471 ( 0.179 -0.346 0.000) 0.390 9.484 ( 0.701 1.452 0.000) 1.613 9.505 ( -0.266 -0.411 0.000) 0.489 9.550 ( 0.670 0.690 0.000) 0.962 9.560 ( 0.374 -0.126 0.000) 0.394 9.597 ( 0.623 0.133 0.000) 0.637 9.608 ( -0.047 -0.827 0.000) 0.828 9.695 ( 0.053 -0.066 0.000) 0.085 9.716 ( -1.752 -1.869 0.000) 2.562 9.824 ( 2.729 1.745 0.000) 3.239 9.847 ( 2.371 -0.276 0.000) 2.387 9.862 ( -0.688 0.827 0.000) 1.076 9.892 ( 1.525 -0.373 0.000) 1.569 9.899 ( -1.870 0.736 0.000) 2.009 9.933 ( -1.445 -1.026 0.000) 1.772 11.110 ( 0.125 1.358 0.000) 1.364 11.113 ( -0.152 1.327 0.000) 1.335 11.148 ( 0.759 1.868 0.000) 2.016 11.157 ( -0.311 1.131 0.000) 1.173 11.202 ( 1.745 0.579 0.000) 1.839 11.202 ( 1.101 0.115 0.000) 1.107 11.231 ( -0.248 1.109 0.000) 1.137 11.266 ( -2.804 -1.465 0.000) 3.164 11.314 ( 0.900 1.440 0.000) 1.698 11.344 ( -2.276 0.825 0.000) 2.421 11.353 ( 1.150 -1.105 0.000) 1.595 11.395 ( -2.441 -2.948 0.000) 3.827 11.434 ( 0.907 0.342 0.000) 0.969 11.452 ( 0.452 -0.970 0.000) 1.070 11.466 ( -1.782 0.070 0.000) 1.783 11.472 ( -1.827 -0.387 0.000) 1.867 11.620 ( 2.316 1.660 0.000) 2.849 11.651 ( 1.929 -0.345 0.000) 1.960 11.656 ( -0.897 2.292 0.000) 2.461 11.695 ( -1.911 -0.585 0.000) 1.998 11.736 ( 2.758 -0.085 0.000) 2.760 11.756 ( 0.041 -1.263 0.000) 1.264 11.825 ( -0.263 1.996 0.000) 2.013 11.836 ( -1.000 0.194 0.000) 1.019 11.866 ( -0.164 -0.168 0.000) 0.235 11.874 ( -0.554 -1.871 0.000) 1.951 11.982 ( 0.085 -1.134 0.000) 1.137 11.986 ( -0.339 -1.303 0.000) 1.346 12.029 ( 2.584 2.585 0.000) 3.655 12.054 ( 1.038 1.142 0.000) 1.543 12.093 ( 0.166 1.334 0.000) 1.344 12.123 ( -1.796 -0.473 0.000) 1.857 12.375 ( 6.154 1.158 0.000) 6.262 12.391 ( 6.762 -0.381 0.000) 6.773 12.519 ( -9.153 2.562 0.000) 9.505 12.550 ( -10.184 -0.475 0.000) 10.195 12.836 ( 7.020 6.269 0.000) 9.412 12.895 ( 4.461 1.213 0.000) 4.623 12.979 ( -0.216 6.421 0.000) 6.424 13.055 ( -4.612 -0.178 0.000) 4.616 15.929 ( 0.426 0.007 0.000) 0.426 15.935 ( -0.023 -0.441 0.000) 0.441 15.952 ( -0.100 -0.275 0.000) 0.293 15.959 ( -0.602 -0.813 0.000) 1.012 15.975 ( 0.362 0.223 0.000) 0.425 15.980 ( -0.161 0.281 0.000) 0.324 15.985 ( 0.419 -0.697 0.000) 0.813 15.992 ( -0.288 -0.784 0.000) 0.835 16.847 ( 3.171 3.491 0.000) 4.716 16.915 ( -3.496 4.933 0.000) 6.046 16.965 ( 5.659 -6.282 0.000) 8.455 17.046 ( 0.575 1.831 0.000) 1.919 17.059 ( -1.093 -4.375 0.000) 4.510 17.080 ( -4.649 1.663 0.000) 4.938 17.136 ( -1.088 -3.540 0.000) 3.704 17.164 ( -2.128 -3.093 0.000) 3.755 17.296 ( 3.230 5.171 0.000) 6.097 17.343 ( -1.745 3.541 0.000) 3.948 17.411 ( 0.107 -2.715 0.000) 2.717 17.435 ( -2.439 -1.801 0.000) 3.031 17.522 ( 4.797 -7.943 0.000) 9.279 17.558 ( 1.239 -9.562 0.000) 9.642 17.741 ( 1.535 0.202 0.000) 1.548 17.846 ( -9.114 -8.014 0.000) 12.136 18.222 ( 6.401 4.860 0.000) 8.037 18.274 ( 4.401 0.475 0.000) 4.426 18.508 ( -1.378 4.122 0.000) 4.346 18.624 ( -10.724 -5.876 0.000) 12.228 18.871 ( 9.348 10.215 0.000) 13.847 19.011 ( -3.366 7.677 0.000) 8.383 19.083 ( 7.150 -5.806 0.000) 9.210 19.228 ( -6.419 -8.816 0.000) 10.905 ======================= Grid point 27 (11/30) ======================= q-point: ( 0.00 0.00 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 0.000 26.205) 26.205 0.543 ( 0.000 0.000 26.310) 26.310 0.899 ( 0.000 0.000 41.990) 41.990 1.353 ( 0.000 0.000 4.742) 4.742 1.358 ( 0.000 0.000 9.048) 9.048 1.361 ( 0.000 0.000 8.872) 8.872 1.412 ( 0.000 0.000 1.878) 1.878 1.741 ( 0.000 0.000 0.824) 0.824 1.813 ( 0.000 0.000 -0.579) 0.579 1.849 ( 0.000 0.000 1.485) 1.485 1.894 ( 0.000 0.000 -13.450) 13.450 1.930 ( 0.000 0.000 -15.417) 15.417 2.039 ( 0.000 0.000 -5.391) 5.391 2.051 ( 0.000 0.000 1.462) 1.462 2.076 ( 0.000 0.000 -3.478) 3.478 2.091 ( 0.000 0.000 -7.677) 7.677 2.122 ( 0.000 0.000 -4.907) 4.907 2.162 ( 0.000 0.000 0.016) 0.016 2.205 ( 0.000 0.000 1.767) 1.767 2.238 ( 0.000 0.000 2.905) 2.905 2.270 ( 0.000 0.000 -5.061) 5.061 2.283 ( 0.000 0.000 -1.236) 1.236 2.369 ( 0.000 0.000 -1.612) 1.612 2.449 ( 0.000 0.000 -6.054) 6.054 2.463 ( 0.000 0.000 -3.389) 3.389 2.484 ( 0.000 0.000 4.324) 4.324 2.494 ( 0.000 0.000 -2.258) 2.258 2.541 ( 0.000 0.000 -1.453) 1.453 2.692 ( 0.000 0.000 2.729) 2.729 2.704 ( 0.000 0.000 0.278) 0.278 2.758 ( 0.000 0.000 7.225) 7.225 2.790 ( 0.000 0.000 0.327) 0.327 2.791 ( 0.000 0.000 0.199) 0.199 2.873 ( 0.000 0.000 2.550) 2.550 2.925 ( 0.000 0.000 -2.308) 2.308 2.955 ( 0.000 0.000 2.989) 2.989 2.964 ( 0.000 0.000 2.055) 2.055 3.036 ( 0.000 0.000 -3.328) 3.328 3.069 ( 0.000 0.000 0.033) 0.033 3.170 ( 0.000 0.000 -0.161) 0.161 3.193 ( 0.000 0.000 -1.469) 1.469 3.214 ( 0.000 0.000 1.337) 1.337 3.292 ( 0.000 0.000 -1.318) 1.318 3.386 ( 0.000 0.000 3.723) 3.723 3.457 ( 0.000 0.000 -1.665) 1.665 3.464 ( 0.000 0.000 -0.075) 0.075 3.481 ( 0.000 0.000 -6.860) 6.860 3.650 ( 0.000 0.000 -14.307) 14.307 3.657 ( 0.000 0.000 3.317) 3.317 3.716 ( 0.000 0.000 1.121) 1.121 3.771 ( 0.000 0.000 0.258) 0.258 3.817 ( 0.000 0.000 3.398) 3.398 3.822 ( 0.000 0.000 -3.454) 3.454 3.874 ( 0.000 0.000 4.912) 4.912 3.898 ( 0.000 0.000 1.985) 1.985 3.974 ( 0.000 0.000 -2.124) 2.124 4.036 ( 0.000 0.000 -0.693) 0.693 4.110 ( 0.000 0.000 1.150) 1.150 4.163 ( 0.000 0.000 3.581) 3.581 4.197 ( 0.000 0.000 -1.395) 1.395 4.251 ( 0.000 0.000 1.453) 1.453 4.356 ( 0.000 0.000 0.959) 0.959 4.356 ( 0.000 0.000 2.904) 2.904 4.364 ( 0.000 0.000 -0.417) 0.417 4.368 ( 0.000 0.000 0.662) 0.662 4.460 ( 0.000 0.000 -3.594) 3.594 4.566 ( 0.000 0.000 -1.676) 1.676 4.571 ( 0.000 0.000 -2.296) 2.296 4.578 ( 0.000 0.000 -1.436) 1.436 4.644 ( 0.000 0.000 1.313) 1.313 4.697 ( 0.000 0.000 -0.091) 0.091 4.788 ( 0.000 0.000 -5.614) 5.614 4.923 ( 0.000 0.000 0.467) 0.467 4.926 ( 0.000 0.000 0.398) 0.398 4.926 ( 0.000 0.000 -4.968) 4.968 4.930 ( 0.000 0.000 -1.383) 1.383 5.089 ( 0.000 0.000 -6.884) 6.884 5.108 ( 0.000 0.000 -3.673) 3.673 5.157 ( 0.000 0.000 -3.181) 3.181 5.165 ( 0.000 0.000 -4.804) 4.804 5.337 ( 0.000 0.000 7.280) 7.280 5.340 ( 0.000 0.000 5.258) 5.258 5.410 ( 0.000 0.000 3.924) 3.924 5.436 ( 0.000 0.000 5.063) 5.063 5.614 ( 0.000 0.000 7.420) 7.420 5.781 ( 0.000 0.000 3.009) 3.009 5.802 ( 0.000 0.000 2.794) 2.794 5.943 ( 0.000 0.000 2.285) 2.285 5.960 ( 0.000 0.000 0.078) 0.078 5.996 ( 0.000 0.000 0.445) 0.445 6.002 ( 0.000 0.000 0.141) 0.141 6.019 ( 0.000 0.000 1.133) 1.133 6.037 ( 0.000 0.000 0.290) 0.290 6.146 ( 0.000 0.000 -0.173) 0.173 6.209 ( 0.000 0.000 -2.621) 2.621 6.228 ( 0.000 0.000 -0.571) 0.571 6.359 ( 0.000 0.000 0.773) 0.773 6.361 ( 0.000 0.000 -0.283) 0.283 6.384 ( 0.000 0.000 0.442) 0.442 6.396 ( 0.000 0.000 -0.431) 0.431 6.441 ( 0.000 0.000 0.897) 0.897 6.503 ( 0.000 0.000 0.348) 0.348 6.528 ( 0.000 0.000 -2.425) 2.425 6.583 ( 0.000 0.000 -1.247) 1.247 6.646 ( 0.000 0.000 -0.753) 0.753 6.742 ( 0.000 0.000 -1.400) 1.400 6.779 ( 0.000 0.000 -0.496) 0.496 6.783 ( 0.000 0.000 1.035) 1.035 6.820 ( 0.000 0.000 -0.160) 0.160 6.840 ( 0.000 0.000 -2.238) 2.238 6.866 ( 0.000 0.000 -5.015) 5.015 6.895 ( 0.000 0.000 1.951) 1.951 6.921 ( 0.000 0.000 -1.306) 1.306 7.027 ( 0.000 0.000 -0.741) 0.741 7.037 ( 0.000 0.000 -1.662) 1.662 7.041 ( 0.000 0.000 -0.897) 0.897 7.082 ( 0.000 0.000 -0.707) 0.707 7.173 ( 0.000 0.000 -1.638) 1.638 7.180 ( 0.000 0.000 -2.516) 2.516 7.202 ( 0.000 0.000 -1.261) 1.261 8.999 ( 0.000 0.000 2.447) 2.447 9.023 ( 0.000 0.000 2.484) 2.484 9.106 ( 0.000 0.000 1.069) 1.069 9.107 ( 0.000 0.000 -0.296) 0.296 9.130 ( 0.000 0.000 1.041) 1.041 9.147 ( 0.000 0.000 0.420) 0.420 9.217 ( 0.000 0.000 0.076) 0.076 9.297 ( 0.000 0.000 1.637) 1.637 9.321 ( 0.000 0.000 -0.794) 0.794 9.375 ( 0.000 0.000 -2.442) 2.442 9.434 ( 0.000 0.000 -6.622) 6.622 9.476 ( 0.000 0.000 -8.629) 8.629 9.508 ( 0.000 0.000 -6.276) 6.276 9.528 ( 0.000 0.000 0.709) 0.709 9.565 ( 0.000 0.000 -3.580) 3.580 9.572 ( 0.000 0.000 -0.362) 0.362 9.918 ( 0.000 0.000 2.663) 2.663 9.939 ( 0.000 0.000 1.333) 1.333 9.964 ( 0.000 0.000 0.805) 0.805 9.976 ( 0.000 0.000 -0.144) 0.144 10.036 ( 0.000 0.000 -0.173) 0.173 10.037 ( 0.000 0.000 2.139) 2.139 10.051 ( 0.000 0.000 0.638) 0.638 10.053 ( 0.000 0.000 -0.372) 0.372 10.983 ( 0.000 0.000 0.184) 0.184 11.039 ( 0.000 0.000 -0.858) 0.858 11.049 ( 0.000 0.000 0.107) 0.107 11.065 ( 0.000 0.000 -0.505) 0.505 11.118 ( 0.000 0.000 4.159) 4.159 11.189 ( 0.000 0.000 2.221) 2.221 11.240 ( 0.000 0.000 6.234) 6.234 11.247 ( 0.000 0.000 5.270) 5.270 11.260 ( 0.000 0.000 -0.157) 0.157 11.338 ( 0.000 0.000 -1.165) 1.165 11.362 ( 0.000 0.000 0.989) 0.989 11.368 ( 0.000 0.000 -0.972) 0.972 11.430 ( 0.000 0.000 1.714) 1.714 11.434 ( 0.000 0.000 1.450) 1.450 11.468 ( 0.000 0.000 -0.439) 0.439 11.514 ( 0.000 0.000 -0.677) 0.677 11.566 ( 0.000 0.000 0.577) 0.577 11.589 ( 0.000 0.000 0.773) 0.773 11.622 ( 0.000 0.000 -0.538) 0.538 11.625 ( 0.000 0.000 -0.545) 0.545 11.716 ( 0.000 0.000 0.256) 0.256 11.730 ( 0.000 0.000 -0.930) 0.930 11.740 ( 0.000 0.000 -0.270) 0.270 11.741 ( 0.000 0.000 -1.371) 1.371 11.864 ( 0.000 0.000 4.880) 4.880 11.882 ( 0.000 0.000 3.216) 3.216 11.886 ( 0.000 0.000 -0.668) 0.668 11.980 ( 0.000 0.000 0.700) 0.700 12.008 ( 0.000 0.000 -0.448) 0.448 12.013 ( 0.000 0.000 -0.522) 0.522 12.083 ( 0.000 0.000 -0.375) 0.375 12.087 ( 0.000 0.000 -2.459) 2.459 12.202 ( 0.000 0.000 1.250) 1.250 12.204 ( 0.000 0.000 4.604) 4.604 12.227 ( 0.000 0.000 1.649) 1.649 12.257 ( 0.000 0.000 3.173) 3.173 12.275 ( 0.000 0.000 5.565) 5.565 12.637 ( 0.000 0.000 -1.903) 1.903 12.657 ( 0.000 0.000 -2.565) 2.565 12.802 ( 0.000 0.000 -7.013) 7.013 15.973 ( 0.000 0.000 0.530) 0.530 15.982 ( 0.000 0.000 0.419) 0.419 15.998 ( 0.000 0.000 -0.073) 0.073 16.006 ( 0.000 0.000 -0.566) 0.566 16.044 ( 0.000 0.000 0.590) 0.590 16.052 ( 0.000 0.000 0.693) 0.693 16.075 ( 0.000 0.000 0.251) 0.251 16.078 ( 0.000 0.000 0.130) 0.130 16.941 ( 0.000 0.000 4.246) 4.246 16.942 ( 0.000 0.000 7.659) 7.659 16.969 ( 0.000 0.000 0.016) 0.016 16.981 ( 0.000 0.000 6.031) 6.031 17.108 ( 0.000 0.000 -0.892) 0.892 17.122 ( 0.000 0.000 2.399) 2.399 17.129 ( 0.000 0.000 5.206) 5.206 17.268 ( 0.000 0.000 1.323) 1.323 17.307 ( 0.000 0.000 1.690) 1.690 17.312 ( 0.000 0.000 -0.119) 0.119 17.509 ( 0.000 0.000 -2.932) 2.932 17.513 ( 0.000 0.000 -3.683) 3.683 17.530 ( 0.000 0.000 -0.878) 0.878 17.572 ( 0.000 0.000 -0.588) 0.588 17.653 ( 0.000 0.000 -1.114) 1.114 17.677 ( 0.000 0.000 -3.839) 3.839 18.144 ( 0.000 0.000 20.161) 20.161 18.576 ( 0.000 0.000 4.470) 4.470 18.582 ( 0.000 0.000 5.028) 5.028 18.993 ( 0.000 0.000 2.483) 2.483 19.373 ( 0.000 0.000 -4.428) 4.428 19.545 ( 0.000 0.000 -15.086) 15.086 19.567 ( 0.000 0.000 -13.819) 13.819 19.584 ( 0.000 0.000 -15.410) 15.410 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.33 0.00 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 14.894 0.000 18.357) 23.639 0.695 ( 14.782 0.000 19.974) 24.849 1.011 ( -21.246 0.000 7.744) 22.613 1.020 ( -18.935 0.000 13.136) 23.046 1.205 ( 27.318 0.000 29.208) 39.992 1.639 ( 11.305 0.000 6.340) 12.962 1.646 ( 5.587 0.000 4.020) 6.883 1.718 ( -15.411 0.000 9.414) 18.059 1.769 ( -4.725 0.000 3.556) 5.914 1.816 ( -3.593 0.000 0.960) 3.719 1.833 ( 1.082 0.000 -4.022) 4.165 1.888 ( -3.704 0.000 -11.804) 12.371 1.934 ( 2.548 0.000 -12.658) 12.912 1.996 ( -4.133 0.000 -9.020) 9.922 2.058 ( -1.678 0.000 -5.150) 5.416 2.083 ( -2.721 0.000 -3.054) 4.090 2.133 ( 0.909 0.000 -1.143) 1.461 2.148 ( -1.217 0.000 -1.309) 1.787 2.197 ( 1.723 0.000 -0.607) 1.826 2.251 ( -1.320 0.000 -2.387) 2.727 2.262 ( 2.264 0.000 0.748) 2.384 2.316 ( -2.301 0.000 1.259) 2.623 2.427 ( 4.780 0.000 -0.964) 4.876 2.444 ( 1.641 0.000 -3.852) 4.187 2.469 ( 1.520 0.000 -0.194) 1.532 2.502 ( 1.455 0.000 -2.125) 2.576 2.504 ( 0.410 0.000 -2.213) 2.250 2.567 ( 2.870 0.000 -7.086) 7.646 2.602 ( -7.888 0.000 1.951) 8.125 2.667 ( -4.618 0.000 -4.368) 6.356 2.732 ( 0.953 0.000 3.757) 3.876 2.750 ( -2.932 0.000 1.723) 3.401 2.831 ( 0.422 0.000 1.257) 1.326 2.835 ( -1.638 0.000 -1.031) 1.935 2.915 ( 6.253 0.000 2.019) 6.571 2.952 ( -1.555 0.000 -0.944) 1.819 2.960 ( -1.837 0.000 1.705) 2.506 3.062 ( -8.299 0.000 3.398) 8.967 3.118 ( 5.164 0.000 0.538) 5.192 3.127 ( 3.167 0.000 0.105) 3.169 3.268 ( 2.623 0.000 -0.501) 2.671 3.279 ( 4.604 0.000 -1.834) 4.956 3.354 ( 2.498 0.000 -0.284) 2.514 3.376 ( 0.941 0.000 -0.546) 1.088 3.416 ( -1.757 0.000 -1.076) 2.061 3.425 ( 0.036 0.000 -1.233) 1.234 3.538 ( 4.115 0.000 -3.069) 5.133 3.615 ( -3.895 0.000 -8.143) 9.026 3.673 ( 1.973 0.000 2.738) 3.374 3.707 ( -1.210 0.000 0.412) 1.278 3.762 ( -0.699 0.000 1.493) 1.648 3.767 ( -0.515 0.000 0.649) 0.829 3.862 ( 0.827 0.000 5.631) 5.692 3.881 ( 0.749 0.000 0.924) 1.189 3.913 ( 0.924 0.000 -0.343) 0.986 3.966 ( -2.657 0.000 -0.195) 2.664 4.082 ( -1.193 0.000 -2.998) 3.227 4.096 ( -1.371 0.000 -1.140) 1.783 4.182 ( 3.528 0.000 -0.608) 3.580 4.209 ( 0.594 0.000 0.703) 0.920 4.240 ( 0.665 0.000 1.570) 1.705 4.288 ( -4.446 0.000 -0.994) 4.556 4.391 ( 2.671 0.000 1.894) 3.275 4.406 ( 1.028 0.000 -0.527) 1.155 4.414 ( 1.443 0.000 -3.569) 3.850 4.471 ( -5.361 0.000 -0.917) 5.439 4.518 ( 1.520 0.000 0.950) 1.792 4.558 ( -2.918 0.000 2.678) 3.961 4.654 ( 10.406 0.000 -5.751) 11.889 4.697 ( 3.967 0.000 -3.046) 5.002 4.768 ( 5.579 0.000 -0.630) 5.614 4.784 ( -0.598 0.000 -6.538) 6.565 4.834 ( -5.307 0.000 -3.286) 6.242 4.867 ( -4.637 0.000 -0.306) 4.647 4.975 ( 1.693 0.000 -1.827) 2.491 4.977 ( 0.954 0.000 -2.431) 2.611 5.045 ( -0.501 0.000 -4.093) 4.123 5.079 ( -1.242 0.000 -8.087) 8.182 5.158 ( -0.783 0.000 -5.022) 5.083 5.163 ( -1.136 0.000 -4.846) 4.978 5.335 ( 0.122 0.000 8.139) 8.140 5.355 ( -2.607 0.000 6.918) 7.393 5.422 ( 6.019 0.000 2.573) 6.546 5.474 ( 0.648 0.000 3.083) 3.150 5.621 ( 1.339 0.000 8.358) 8.464 5.687 ( -5.697 0.000 5.632) 8.011 5.877 ( 4.135 0.000 1.714) 4.476 5.937 ( -2.393 0.000 0.347) 2.418 5.953 ( 1.072 0.000 2.795) 2.993 5.976 ( -1.318 0.000 3.022) 3.296 6.005 ( -0.361 0.000 0.404) 0.542 6.006 ( -0.691 0.000 0.821) 1.073 6.048 ( 1.004 0.000 0.329) 1.057 6.080 ( -3.171 0.000 1.593) 3.549 6.228 ( 1.467 0.000 -2.875) 3.228 6.244 ( -0.076 0.000 -2.882) 2.883 6.356 ( -0.083 0.000 0.971) 0.975 6.357 ( -0.093 0.000 0.973) 0.977 6.413 ( 1.378 0.000 -0.944) 1.670 6.422 ( 1.249 0.000 -2.117) 2.458 6.457 ( 2.038 0.000 1.094) 2.313 6.494 ( -0.962 0.000 0.903) 1.319 6.543 ( 1.540 0.000 -1.529) 2.170 6.585 ( -3.802 0.000 0.077) 3.803 6.601 ( 1.782 0.000 -1.210) 2.154 6.667 ( -5.161 0.000 -1.583) 5.399 6.781 ( 0.998 0.000 0.290) 1.040 6.808 ( -0.155 0.000 1.223) 1.232 6.813 ( 0.394 0.000 -0.294) 0.491 6.821 ( -1.084 0.000 -2.737) 2.944 6.891 ( 2.207 0.000 0.426) 2.248 6.919 ( -0.641 0.000 -0.679) 0.934 6.970 ( 3.593 0.000 -4.613) 5.847 7.012 ( -1.948 0.000 -1.410) 2.405 7.036 ( 0.841 0.000 -1.058) 1.351 7.044 ( 0.248 0.000 -2.353) 2.366 7.114 ( 2.340 0.000 -1.395) 2.725 7.153 ( -1.891 0.000 -2.158) 2.870 7.178 ( 0.151 0.000 -2.426) 2.431 7.192 ( -1.095 0.000 -1.807) 2.113 9.008 ( 0.917 0.000 2.464) 2.629 9.022 ( -0.338 0.000 2.425) 2.449 9.079 ( -1.142 0.000 1.228) 1.677 9.081 ( -1.279 0.000 0.833) 1.527 9.158 ( 1.560 0.000 0.437) 1.620 9.172 ( 0.551 0.000 -0.943) 1.092 9.224 ( 1.812 0.000 1.366) 2.269 9.279 ( -3.540 0.000 -0.156) 3.543 9.337 ( 3.632 0.000 -0.590) 3.680 9.378 ( -0.263 0.000 -3.263) 3.274 9.426 ( -0.515 0.000 -5.226) 5.252 9.446 ( -2.667 0.000 -3.708) 4.567 9.512 ( 0.271 0.000 -5.749) 5.756 9.521 ( -0.949 0.000 -3.136) 3.276 9.555 ( -0.056 0.000 -2.330) 2.331 9.561 ( -0.395 0.000 -3.594) 3.616 9.926 ( 0.712 0.000 2.301) 2.409 9.936 ( -0.342 0.000 1.573) 1.610 9.968 ( 0.370 0.000 0.698) 0.790 9.974 ( -0.237 0.000 0.113) 0.262 10.027 ( -0.478 0.000 0.289) 0.558 10.028 ( -0.548 0.000 1.431) 1.532 10.058 ( 0.385 0.000 0.606) 0.718 10.059 ( 0.287 0.000 0.002) 0.287 10.974 ( -0.356 0.000 0.585) 0.684 10.991 ( -2.623 0.000 1.002) 2.808 11.052 ( 0.897 0.000 -1.698) 1.921 11.064 ( -0.578 0.000 -1.874) 1.961 11.133 ( 1.892 0.000 4.737) 5.101 11.180 ( -3.212 0.000 5.472) 6.345 11.224 ( 3.911 0.000 2.748) 4.780 11.285 ( -1.303 0.000 3.022) 3.291 11.324 ( 0.105 0.000 2.907) 2.909 11.328 ( 1.914 0.000 -0.269) 1.933 11.356 ( 1.699 0.000 3.220) 3.640 11.376 ( -0.787 0.000 1.277) 1.500 11.401 ( 0.165 0.000 0.436) 0.466 11.440 ( -2.586 0.000 -0.711) 2.682 11.481 ( 1.941 0.000 -1.460) 2.429 11.503 ( -0.922 0.000 -0.722) 1.171 11.590 ( 1.132 0.000 0.415) 1.205 11.592 ( 2.420 0.000 0.493) 2.469 11.620 ( -0.932 0.000 0.425) 1.024 11.657 ( -3.149 0.000 0.311) 3.164 11.695 ( 3.349 0.000 -1.479) 3.661 11.715 ( 1.225 0.000 -0.529) 1.334 11.775 ( 2.705 0.000 -1.170) 2.947 11.798 ( 1.142 0.000 -1.499) 1.885 11.842 ( 0.305 0.000 2.771) 2.788 11.875 ( -1.307 0.000 -0.549) 1.418 11.906 ( -0.862 0.000 2.982) 3.104 11.933 ( -5.594 0.000 0.231) 5.599 11.951 ( 1.502 0.000 1.433) 2.076 12.015 ( -4.502 0.000 2.682) 5.241 12.059 ( 2.675 0.000 0.320) 2.694 12.092 ( -0.837 0.000 -0.006) 0.837 12.171 ( -0.194 0.000 4.128) 4.133 12.188 ( -1.398 0.000 4.428) 4.643 12.265 ( 0.580 0.000 3.270) 3.321 12.265 ( 0.941 0.000 2.272) 2.459 12.365 ( 7.896 0.000 1.820) 8.104 12.515 ( -8.198 0.000 -0.225) 8.201 12.737 ( 3.696 0.000 -4.606) 5.906 12.785 ( -1.784 0.000 -6.340) 6.586 15.975 ( 0.362 0.000 0.378) 0.523 15.986 ( -0.762 0.000 0.118) 0.771 15.990 ( 0.765 0.000 0.415) 0.871 16.005 ( -0.687 0.000 -0.028) 0.687 16.047 ( 0.629 0.000 0.645) 0.900 16.056 ( 0.826 0.000 0.475) 0.953 16.064 ( -0.984 0.000 0.235) 1.011 16.072 ( -0.725 0.000 0.262) 0.771 16.911 ( -0.841 0.000 3.765) 3.858 16.917 ( -1.346 0.000 5.109) 5.283 17.002 ( 1.089 0.000 3.014) 3.205 17.003 ( 0.938 0.000 6.360) 6.429 17.074 ( -1.044 0.000 2.431) 2.646 17.085 ( -1.698 0.000 0.683) 1.830 17.196 ( 3.634 0.000 5.269) 6.400 17.254 ( -2.965 0.000 4.112) 5.070 17.289 ( 2.271 0.000 1.771) 2.880 17.334 ( -1.410 0.000 2.866) 3.194 17.473 ( -1.839 0.000 -0.828) 2.016 17.477 ( -1.501 0.000 -1.289) 1.979 17.543 ( 0.392 0.000 -1.261) 1.320 17.570 ( -3.603 0.000 -0.142) 3.606 17.642 ( 5.879 0.000 -2.529) 6.400 17.710 ( -0.295 0.000 -5.574) 5.582 18.199 ( 6.521 0.000 16.598) 17.833 18.370 ( -11.491 0.000 9.132) 14.678 18.767 ( 9.332 0.000 3.292) 9.895 18.910 ( -6.673 0.000 3.815) 7.686 19.477 ( 4.946 0.000 -15.403) 16.178 19.527 ( -1.660 0.000 -15.849) 15.936 19.582 ( 1.330 0.000 -14.228) 14.290 19.592 ( 0.324 0.000 -14.964) 14.968 ======================= Grid point 30 (13/30) ======================= q-point: ( 0.00 0.11 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 16.406 18.462) 24.698 0.790 ( 0.000 17.915 18.618) 25.837 1.283 ( 0.000 29.567 24.271) 38.253 1.416 ( 0.000 6.065 3.733) 7.122 1.479 ( 0.000 9.377 6.641) 11.491 1.484 ( 0.000 8.238 1.520) 8.377 1.533 ( 0.000 13.461 7.372) 15.348 1.785 ( 0.000 1.919 0.766) 2.066 1.870 ( 0.000 3.474 2.353) 4.196 1.870 ( 0.000 4.583 -2.194) 5.081 1.958 ( 0.000 2.506 -11.728) 11.993 1.959 ( 0.000 4.777 -12.445) 13.330 2.025 ( 0.000 0.347 -1.969) 2.000 2.073 ( 0.000 0.573 -2.831) 2.888 2.112 ( 0.000 1.290 -4.843) 5.011 2.133 ( 0.000 3.443 -0.501) 3.480 2.153 ( 0.000 2.382 -6.060) 6.511 2.185 ( 0.000 2.365 1.412) 2.755 2.254 ( 0.000 -0.210 -3.389) 3.395 2.289 ( 0.000 1.896 -2.198) 2.903 2.291 ( 0.000 5.107 -1.417) 5.299 2.357 ( 0.000 6.999 -4.032) 8.077 2.371 ( 0.000 4.602 -0.968) 4.702 2.436 ( 0.000 -1.021 -4.039) 4.166 2.477 ( 0.000 1.750 0.282) 1.773 2.506 ( 0.000 2.016 2.703) 3.372 2.529 ( 0.000 1.512 -2.062) 2.557 2.572 ( 0.000 3.730 0.088) 3.731 2.726 ( 0.000 3.643 3.391) 4.977 2.743 ( 0.000 2.704 -1.467) 3.077 2.762 ( 0.000 4.081 2.140) 4.608 2.856 ( 0.000 1.776 -0.932) 2.006 2.882 ( 0.000 4.642 2.185) 5.130 2.907 ( 0.000 2.408 -2.651) 3.582 2.987 ( 0.000 5.989 0.688) 6.029 2.988 ( 0.000 5.261 1.082) 5.371 3.020 ( 0.000 4.566 1.240) 4.732 3.084 ( 0.000 6.123 -2.061) 6.461 3.107 ( 0.000 3.557 -1.407) 3.825 3.174 ( 0.000 2.405 -0.563) 2.470 3.247 ( 0.000 3.564 0.650) 3.623 3.252 ( 0.000 3.022 1.187) 3.247 3.330 ( 0.000 -1.596 0.554) 1.689 3.340 ( 0.000 5.250 -1.657) 5.505 3.462 ( 0.000 0.353 -2.329) 2.356 3.491 ( 0.000 2.503 -3.828) 4.574 3.581 ( 0.000 0.976 0.612) 1.152 3.621 ( 0.000 -2.615 -7.676) 8.109 3.653 ( 0.000 1.212 0.567) 1.338 3.726 ( 0.000 0.755 2.005) 2.142 3.781 ( 0.000 0.577 -0.850) 1.027 3.816 ( 0.000 -0.397 2.965) 2.991 3.819 ( 0.000 -0.184 -3.470) 3.475 3.878 ( 0.000 0.503 2.823) 2.867 3.918 ( 0.000 1.179 0.486) 1.276 3.952 ( 0.000 -5.183 -0.406) 5.199 3.954 ( 0.000 -1.965 -0.367) 1.999 4.087 ( 0.000 -3.974 2.950) 4.949 4.095 ( 0.000 -1.840 0.579) 1.929 4.175 ( 0.000 -4.959 -1.575) 5.203 4.239 ( 0.000 -1.492 0.476) 1.567 4.335 ( 0.000 -0.359 2.488) 2.514 4.336 ( 0.000 -0.511 -0.345) 0.617 4.400 ( 0.000 0.863 -0.951) 1.284 4.418 ( 0.000 3.226 1.721) 3.656 4.469 ( 0.000 0.577 -0.519) 0.776 4.524 ( 0.000 -1.281 -0.667) 1.444 4.559 ( 0.000 -1.413 -2.911) 3.236 4.634 ( 0.000 2.663 0.968) 2.834 4.651 ( 0.000 0.829 1.574) 1.779 4.701 ( 0.000 -0.152 -2.084) 2.089 4.790 ( 0.000 0.302 -5.414) 5.423 4.845 ( 0.000 -4.081 -0.600) 4.125 4.888 ( 0.000 -2.434 -2.886) 3.775 4.949 ( 0.000 -0.180 0.669) 0.693 4.960 ( 0.000 0.677 -3.217) 3.288 5.024 ( 0.000 -3.344 -3.687) 4.977 5.080 ( 0.000 -4.452 -5.255) 6.888 5.156 ( 0.000 -2.630 -1.514) 3.034 5.160 ( 0.000 -0.731 -3.392) 3.470 5.281 ( 0.000 -7.386 6.266) 9.686 5.302 ( 0.000 -3.655 1.956) 4.146 5.347 ( 0.000 -1.760 6.055) 6.305 5.417 ( 0.000 1.290 7.685) 7.792 5.547 ( 0.000 -3.436 7.173) 7.953 5.617 ( 0.000 -0.772 4.833) 4.895 5.787 ( 0.000 -1.692 3.311) 3.718 5.873 ( 0.000 -3.664 4.698) 5.958 5.928 ( 0.000 -2.966 2.094) 3.631 5.951 ( 0.000 -3.837 0.898) 3.941 5.961 ( 0.000 -2.288 0.056) 2.289 5.993 ( 0.000 -4.341 1.043) 4.464 6.038 ( 0.000 -2.514 -0.030) 2.514 6.099 ( 0.000 -1.790 3.043) 3.530 6.157 ( 0.000 -3.408 -0.777) 3.496 6.203 ( 0.000 -2.649 -2.358) 3.546 6.302 ( 0.000 -2.929 1.711) 3.392 6.353 ( 0.000 -0.202 -0.550) 0.586 6.356 ( 0.000 -3.302 0.118) 3.304 6.391 ( 0.000 -5.243 -0.315) 5.252 6.446 ( 0.000 2.245 0.602) 2.324 6.477 ( 0.000 1.339 -1.858) 2.290 6.495 ( 0.000 -2.812 -0.320) 2.830 6.594 ( 0.000 -0.654 -0.243) 0.698 6.646 ( 0.000 -0.966 -0.236) 0.994 6.679 ( 0.000 -1.031 -0.964) 1.412 6.764 ( 0.000 -1.260 -2.231) 2.562 6.767 ( 0.000 -1.098 1.122) 1.570 6.801 ( 0.000 0.605 0.872) 1.062 6.907 ( 0.000 1.593 -1.498) 2.187 6.935 ( 0.000 -0.538 -2.171) 2.236 6.987 ( 0.000 6.918 1.538) 7.087 7.003 ( 0.000 2.067 -2.503) 3.246 7.032 ( 0.000 1.117 -0.247) 1.144 7.085 ( 0.000 3.935 -0.092) 3.936 7.094 ( 0.000 5.503 -1.749) 5.774 7.146 ( 0.000 8.725 -2.723) 9.140 7.186 ( 0.000 -0.695 -1.566) 1.714 7.264 ( 0.000 6.968 -3.555) 7.823 7.425 ( 0.000 9.021 -16.843) 19.107 9.005 ( 0.000 -0.144 1.009) 1.019 9.053 ( 0.000 3.202 2.505) 4.065 9.101 ( 0.000 0.419 -0.158) 0.448 9.131 ( 0.000 0.210 -0.281) 0.351 9.168 ( 0.000 3.704 -0.533) 3.742 9.183 ( 0.000 3.545 1.422) 3.820 9.210 ( 0.000 -0.041 -0.268) 0.271 9.314 ( 0.000 1.832 1.050) 2.112 9.349 ( 0.000 1.027 -0.543) 1.162 9.362 ( 0.000 -1.545 -4.409) 4.672 9.414 ( 0.000 -1.589 -6.218) 6.418 9.463 ( 0.000 -0.135 -4.415) 4.417 9.512 ( 0.000 0.927 -3.314) 3.441 9.538 ( 0.000 1.200 -0.001) 1.200 9.565 ( 0.000 -0.480 -0.794) 0.927 9.619 ( 0.000 3.057 -1.845) 3.571 9.865 ( 0.000 -2.414 1.005) 2.615 9.895 ( 0.000 -3.872 0.932) 3.982 9.929 ( 0.000 -3.811 -0.097) 3.813 9.938 ( 0.000 -4.000 0.514) 4.033 9.973 ( 0.000 -3.964 -0.580) 4.006 9.988 ( 0.000 -3.987 0.471) 4.015 10.031 ( 0.000 -2.845 0.751) 2.942 10.040 ( 0.000 -2.378 0.437) 2.418 10.978 ( 0.000 0.647 0.693) 0.948 11.027 ( 0.000 0.272 0.245) 0.366 11.070 ( 0.000 0.283 0.674) 0.731 11.079 ( 0.000 1.864 0.206) 1.876 11.143 ( 0.000 2.362 3.667) 4.362 11.177 ( 0.000 0.166 3.253) 3.257 11.195 ( 0.000 -2.362 1.241) 2.669 11.252 ( 0.000 0.150 5.060) 5.062 11.281 ( 0.000 2.398 3.307) 4.085 11.345 ( 0.000 2.068 0.480) 2.123 11.345 ( 0.000 -4.487 5.177) 6.851 11.381 ( 0.000 -0.842 -0.880) 1.218 11.392 ( 0.000 2.122 0.281) 2.141 11.450 ( 0.000 0.104 -1.663) 1.666 11.490 ( 0.000 1.767 0.174) 1.775 11.516 ( 0.000 0.473 0.033) 0.474 11.577 ( 0.000 -1.550 0.201) 1.563 11.578 ( 0.000 -1.478 -1.514) 2.116 11.617 ( 0.000 1.174 -0.131) 1.181 11.637 ( 0.000 -0.314 -0.381) 0.494 11.685 ( 0.000 0.909 -0.299) 0.957 11.714 ( 0.000 3.621 -2.781) 4.565 11.792 ( 0.000 1.171 0.519) 1.281 11.825 ( 0.000 -1.082 3.917) 4.064 11.865 ( 0.000 -0.355 -0.120) 0.375 11.902 ( 0.000 2.421 4.507) 5.116 11.902 ( 0.000 4.458 1.522) 4.711 11.998 ( 0.000 0.102 1.093) 1.098 12.057 ( 0.000 2.408 -1.104) 2.649 12.087 ( 0.000 2.082 0.132) 2.086 12.127 ( 0.000 4.010 -0.069) 4.010 12.127 ( 0.000 6.752 0.484) 6.769 12.191 ( 0.000 0.334 3.384) 3.400 12.210 ( 0.000 1.538 -0.021) 1.538 12.247 ( 0.000 2.440 -0.743) 2.551 12.273 ( 0.000 1.555 4.908) 5.148 12.303 ( 0.000 3.453 2.430) 4.223 12.637 ( 0.000 0.342 -2.062) 2.090 12.648 ( 0.000 -0.413 -2.707) 2.738 12.811 ( 0.000 1.168 -6.530) 6.634 15.971 ( 0.000 -0.217 0.547) 0.588 15.980 ( 0.000 -0.362 0.366) 0.515 15.992 ( 0.000 -0.473 -0.086) 0.481 16.000 ( 0.000 -0.629 -0.059) 0.632 16.032 ( 0.000 -1.118 0.520) 1.233 16.034 ( 0.000 -1.005 0.553) 1.147 16.062 ( 0.000 -1.222 0.161) 1.233 16.065 ( 0.000 -1.233 0.025) 1.233 16.886 ( 0.000 -3.285 4.002) 5.178 16.928 ( 0.000 -0.703 6.005) 6.046 16.977 ( 0.000 -0.138 5.892) 5.893 17.014 ( 0.000 2.812 0.827) 2.931 17.094 ( 0.000 0.070 6.440) 6.441 17.110 ( 0.000 -0.648 1.790) 1.904 17.132 ( 0.000 0.884 0.592) 1.064 17.294 ( 0.000 1.027 1.777) 2.052 17.376 ( 0.000 2.811 -2.359) 3.670 17.400 ( 0.000 4.759 3.909) 6.159 17.466 ( 0.000 -0.688 -1.624) 1.764 17.552 ( 0.000 5.121 1.054) 5.229 17.584 ( 0.000 4.157 -2.566) 4.885 17.659 ( 0.000 8.598 -1.332) 8.700 17.733 ( 0.000 4.756 -3.220) 5.744 17.736 ( 0.000 7.505 -1.822) 7.723 18.109 ( 0.000 -3.935 17.679) 18.112 18.473 ( 0.000 -8.935 7.527) 11.683 18.496 ( 0.000 -7.351 5.510) 9.186 18.902 ( 0.000 -7.799 2.739) 8.266 19.285 ( 0.000 -6.681 -10.542) 12.481 19.381 ( 0.000 -15.556 -13.583) 20.651 19.482 ( 0.000 -10.457 -13.266) 16.892 19.523 ( 0.000 -3.641 -14.905) 15.343 ======================= Grid point 31 (14/30) ======================= q-point: ( 0.33 0.11 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 11.600 14.628 13.110) 22.813 0.934 ( 11.707 16.186 14.099) 24.451 1.123 ( -17.050 10.461 6.319) 20.977 1.213 ( -15.098 14.032 10.433) 23.102 1.469 ( 16.720 23.589 20.866) 35.657 1.658 ( 5.638 2.113 1.597) 6.229 1.737 ( 5.094 6.442 3.917) 9.099 1.798 ( -0.827 6.089 3.616) 7.130 1.831 ( -3.591 4.771 3.253) 6.800 1.871 ( -3.217 5.900 -1.499) 6.886 1.905 ( -2.708 5.850 -0.098) 6.447 1.936 ( -3.662 6.442 -6.921) 10.139 1.994 ( 0.168 3.995 -9.811) 10.595 2.010 ( -2.004 0.333 -3.805) 4.313 2.090 ( -2.430 2.725 -6.340) 7.317 2.135 ( -0.854 -0.234 -2.363) 2.523 2.151 ( 0.557 3.179 -0.570) 3.278 2.181 ( 2.196 2.529 -4.382) 5.516 2.220 ( -0.879 4.076 -1.131) 4.320 2.278 ( -0.155 3.292 -2.917) 4.402 2.296 ( -0.317 3.914 -0.958) 4.042 2.366 ( -2.564 1.254 -0.064) 2.855 2.411 ( 2.829 1.361 -0.848) 3.252 2.437 ( -0.849 -0.639 -1.729) 2.030 2.473 ( 2.172 2.094 -0.585) 3.073 2.494 ( 1.002 2.009 -0.580) 2.318 2.561 ( 0.296 3.427 -1.099) 3.611 2.589 ( 3.860 1.868 -3.955) 5.834 2.656 ( -6.301 3.759 -0.755) 7.376 2.713 ( -4.989 2.093 -5.184) 7.493 2.793 ( 2.133 4.898 -0.065) 5.343 2.818 ( -1.257 5.102 0.645) 5.294 2.864 ( -1.704 6.017 0.082) 6.254 2.913 ( 1.164 4.005 0.998) 4.288 2.949 ( 0.741 4.541 0.923) 4.693 2.974 ( -1.160 4.214 -0.777) 4.439 3.044 ( -0.503 5.763 -0.210) 5.788 3.112 ( 2.442 2.398 0.892) 3.537 3.149 ( 2.449 1.440 2.089) 3.526 3.167 ( -3.924 4.003 0.163) 5.608 3.222 ( 1.124 0.935 0.434) 1.525 3.278 ( -0.933 1.115 0.863) 1.691 3.345 ( 2.679 2.337 -0.366) 3.574 3.401 ( 5.559 3.666 -2.069) 6.973 3.467 ( 1.352 2.145 -2.970) 3.905 3.512 ( -1.025 1.909 -4.782) 5.250 3.576 ( -0.779 1.991 -1.590) 2.665 3.600 ( 0.124 0.304 -0.687) 0.761 3.653 ( 0.248 -1.267 -0.295) 1.324 3.710 ( -0.834 -0.166 1.421) 1.656 3.780 ( 0.552 1.186 0.395) 1.366 3.785 ( -0.078 1.148 -0.273) 1.182 3.856 ( -0.499 -0.718 2.831) 2.963 3.863 ( -1.943 -1.269 4.133) 4.740 3.928 ( 1.188 1.709 -0.573) 2.159 3.940 ( 0.825 -2.830 -0.913) 3.086 4.007 ( -0.536 -4.239 -0.415) 4.293 4.050 ( 0.988 -6.189 -0.102) 6.268 4.121 ( 0.897 -4.592 0.033) 4.679 4.163 ( -1.967 -0.514 -1.817) 2.726 4.234 ( 0.194 -1.922 0.537) 2.005 4.298 ( -2.271 -0.812 0.740) 2.523 4.374 ( 1.598 0.037 -1.224) 2.014 4.413 ( 1.036 0.952 0.133) 1.413 4.445 ( -0.577 0.183 -0.469) 0.765 4.488 ( -1.865 -0.059 -0.897) 2.070 4.518 ( 1.742 1.369 2.333) 3.218 4.568 ( 0.215 0.586 0.680) 0.923 4.614 ( 5.357 -2.596 -2.130) 6.323 4.709 ( 2.139 -0.221 -4.087) 4.618 4.734 ( 2.852 -1.861 0.291) 3.418 4.790 ( -0.446 -0.283 -4.018) 4.052 4.810 ( -2.441 -1.460 -2.487) 3.778 4.852 ( -4.418 -0.825 -2.296) 5.047 4.928 ( -0.514 -3.360 -2.479) 4.208 4.986 ( 0.817 -0.892 -2.161) 2.477 5.015 ( 0.293 -1.511 -2.424) 2.871 5.043 ( -2.471 -3.933 -5.469) 7.176 5.141 ( 1.704 -1.389 -3.325) 3.986 5.178 ( -1.524 0.467 -3.992) 4.298 5.306 ( 1.802 -4.180 5.096) 6.833 5.327 ( 1.167 -4.302 4.295) 6.190 5.348 ( -0.595 -4.439 6.097) 7.565 5.413 ( 0.209 -1.444 6.465) 6.628 5.564 ( 1.767 -0.259 5.377) 5.666 5.671 ( 3.748 -1.260 4.978) 6.358 5.751 ( -2.398 -3.280 2.752) 4.907 5.869 ( -0.990 -5.269 5.045) 7.362 5.927 ( 0.080 -3.143 1.273) 3.392 5.944 ( -0.686 -3.293 0.492) 3.399 5.967 ( 1.070 -3.039 1.620) 3.607 5.993 ( -0.312 -3.508 1.405) 3.792 6.036 ( 0.093 -2.160 0.515) 2.223 6.059 ( -2.714 -1.390 2.432) 3.901 6.181 ( 1.546 -3.047 -0.812) 3.511 6.209 ( -0.178 -3.079 -1.696) 3.520 6.311 ( 1.442 -1.968 0.648) 2.524 6.343 ( -1.189 -3.145 -0.029) 3.362 6.366 ( 0.637 -1.246 -0.864) 1.645 6.390 ( -0.186 -4.315 -0.242) 4.326 6.445 ( 0.538 0.650 1.441) 1.670 6.467 ( -0.977 -0.831 0.731) 1.477 6.525 ( 2.315 -0.572 -1.383) 2.757 6.574 ( -3.244 -0.926 -0.501) 3.411 6.605 ( 1.019 -0.387 -0.216) 1.111 6.659 ( -3.960 -1.186 -0.768) 4.205 6.762 ( 2.942 -0.496 -0.632) 3.050 6.805 ( -0.354 -0.163 -0.556) 0.679 6.831 ( 2.155 0.724 -0.115) 2.276 6.899 ( -0.746 1.642 -0.861) 1.998 6.926 ( -1.002 1.179 -1.406) 2.090 6.960 ( 0.012 3.326 -0.529) 3.368 7.029 ( 0.363 1.463 0.184) 1.519 7.039 ( -0.079 3.403 0.170) 3.408 7.101 ( 1.436 4.249 -4.741) 6.526 7.114 ( 2.331 5.049 -1.233) 5.696 7.140 ( -0.531 5.716 -1.777) 6.010 7.183 ( -0.464 2.034 -2.415) 3.192 7.256 ( -0.543 6.715 -4.152) 7.914 7.359 ( -4.602 9.255 -10.328) 14.611 9.010 ( 0.405 -0.130 0.972) 1.061 9.060 ( 0.368 3.128 2.718) 4.160 9.070 ( -1.303 0.421 -0.067) 1.371 9.133 ( -1.071 3.426 1.502) 3.891 9.175 ( 1.189 1.744 -0.688) 2.220 9.186 ( -0.100 2.063 0.369) 2.098 9.239 ( 3.193 0.100 0.130) 3.198 9.306 ( -3.503 1.448 0.098) 3.792 9.334 ( 1.648 0.142 -1.360) 2.141 9.362 ( -0.767 -1.559 -4.465) 4.791 9.403 ( -0.959 -0.596 -4.368) 4.512 9.451 ( -0.521 -0.998 -3.694) 3.862 9.516 ( 0.073 0.929 -3.002) 3.143 9.529 ( -0.547 1.280 -2.352) 2.733 9.569 ( 0.480 1.545 -1.723) 2.364 9.612 ( -0.524 3.266 -1.558) 3.656 9.868 ( 0.399 -3.389 1.231) 3.628 9.885 ( -0.805 -4.022 1.366) 4.323 9.920 ( -0.231 -4.031 -0.107) 4.039 9.939 ( -0.195 -3.425 0.438) 3.459 9.980 ( 0.638 -3.904 0.029) 3.955 10.003 ( 1.093 -3.197 0.452) 3.409 10.025 ( -0.812 -3.060 0.025) 3.166 10.039 ( 0.043 -2.466 0.666) 2.554 10.982 ( 0.476 1.449 1.064) 1.860 11.003 ( -1.851 1.451 1.324) 2.699 11.059 ( 0.899 1.341 -0.740) 1.776 11.085 ( -1.292 1.209 -1.306) 2.200 11.156 ( 1.500 2.070 4.031) 4.773 11.184 ( 1.006 -0.010 4.072) 4.195 11.209 ( -0.323 0.473 4.616) 4.651 11.258 ( -0.395 -2.440 2.766) 3.710 11.296 ( 2.057 -0.788 1.779) 2.832 11.336 ( -1.205 0.105 1.159) 1.675 11.364 ( 1.499 -0.766 3.429) 3.820 11.380 ( 0.586 0.472 0.774) 1.080 11.401 ( 0.766 1.147 -0.811) 1.600 11.429 ( -1.886 -0.032 -1.122) 2.195 11.497 ( 0.382 1.638 -0.814) 1.869 11.522 ( -1.026 1.367 0.303) 1.736 11.561 ( -0.766 -2.265 0.480) 2.439 11.578 ( -0.080 -2.033 -0.028) 2.035 11.606 ( 2.463 0.018 -2.377) 3.423 11.663 ( 0.404 0.759 0.675) 1.093 11.699 ( 1.077 -0.015 -1.529) 1.870 11.752 ( 1.197 -1.429 0.102) 1.867 11.765 ( -1.067 1.503 0.849) 2.029 11.806 ( -0.925 4.016 0.867) 4.211 11.853 ( -1.353 -0.244 0.682) 1.535 11.911 ( 1.703 1.594 4.118) 4.733 11.930 ( 0.051 2.500 -1.174) 2.763 11.959 ( -2.254 0.168 4.376) 4.925 12.019 ( -1.275 4.355 -0.122) 4.540 12.080 ( -1.192 3.412 0.668) 3.676 12.122 ( 0.958 4.583 0.658) 4.728 12.143 ( 0.035 5.671 0.491) 5.693 12.178 ( -0.344 1.229 3.922) 4.124 12.200 ( -1.821 3.639 1.289) 4.269 12.265 ( 2.132 1.522 1.752) 3.151 12.302 ( 0.878 2.028 1.476) 2.658 12.362 ( 6.037 0.602 1.115) 6.168 12.514 ( -7.434 0.053 -0.076) 7.435 12.735 ( 3.600 0.514 -5.010) 6.190 12.796 ( -1.458 1.114 -5.777) 6.062 15.973 ( 0.285 -0.261 0.410) 0.564 15.980 ( -0.275 -0.520 0.325) 0.672 15.989 ( 0.205 -0.200 0.213) 0.356 15.998 ( -0.465 -0.673 0.218) 0.846 16.037 ( 0.637 -0.976 0.343) 1.215 16.043 ( 0.764 -1.060 0.219) 1.325 16.054 ( -0.708 -1.043 0.165) 1.271 16.059 ( -0.625 -1.158 0.091) 1.319 16.884 ( 0.232 -2.129 3.693) 4.269 16.901 ( -1.670 -1.020 4.404) 4.819 16.997 ( 0.962 0.058 6.383) 6.455 17.028 ( 0.424 1.597 3.026) 3.448 17.076 ( 0.007 0.237 2.688) 2.699 17.107 ( -1.602 1.730 1.035) 2.576 17.182 ( 5.563 -0.500 4.356) 7.083 17.294 ( -4.999 2.460 1.656) 5.813 17.321 ( 2.111 1.286 3.117) 3.978 17.401 ( -3.520 3.752 0.907) 5.224 17.472 ( 0.996 0.674 -3.426) 3.631 17.537 ( 1.036 5.612 0.483) 5.728 17.612 ( 0.598 5.550 -0.791) 5.638 17.660 ( -3.813 6.546 -0.920) 7.631 17.702 ( 4.462 6.721 -2.734) 8.518 17.766 ( -0.823 5.506 -4.673) 7.268 18.155 ( 5.115 -4.045 15.485) 16.802 18.307 ( -8.881 -5.666 10.336) 14.758 18.675 ( 10.062 -8.221 4.104) 13.626 18.831 ( -6.959 -7.320 3.309) 10.628 19.300 ( 0.728 -12.534 -13.886) 18.720 19.400 ( 1.391 -12.663 -11.827) 17.383 19.481 ( 0.060 -8.667 -13.804) 16.299 19.513 ( -0.880 -6.758 -14.336) 15.874 ======================= Grid point 33 (15/30) ======================= q-point: ( 0.00 0.22 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 20.045 10.759) 22.750 1.179 ( 0.000 18.840 9.767) 21.222 1.546 ( 0.000 4.704 0.335) 4.716 1.615 ( 0.000 8.190 0.437) 8.201 1.661 ( 0.000 6.551 2.361) 6.964 1.743 ( 0.000 10.043 2.044) 10.249 1.802 ( 0.000 2.851 -0.094) 2.853 1.900 ( 0.000 3.041 -1.463) 3.375 1.928 ( 0.000 -0.644 1.801) 1.912 1.974 ( 0.000 8.200 -0.634) 8.224 2.004 ( 0.000 8.795 0.647) 8.819 2.022 ( 0.000 -1.490 0.743) 1.665 2.061 ( 0.000 6.210 -6.281) 8.833 2.111 ( 0.000 3.312 -6.771) 7.537 2.144 ( 0.000 7.578 -5.654) 9.455 2.185 ( 0.000 1.730 1.310) 2.170 2.234 ( 0.000 1.755 -3.789) 4.176 2.245 ( 0.000 3.686 0.941) 3.804 2.294 ( 0.000 5.650 -2.537) 6.193 2.342 ( 0.000 3.176 -1.870) 3.686 2.388 ( 0.000 4.204 -4.451) 6.122 2.425 ( 0.000 2.392 -0.482) 2.440 2.495 ( 0.000 4.024 0.807) 4.104 2.499 ( 0.000 4.646 -1.551) 4.898 2.547 ( 0.000 4.106 1.352) 4.322 2.564 ( 0.000 2.804 -0.322) 2.822 2.589 ( 0.000 7.086 1.500) 7.243 2.681 ( 0.000 6.245 -0.085) 6.246 2.772 ( 0.000 0.851 -2.126) 2.290 2.779 ( 0.000 -1.236 2.322) 2.630 2.869 ( 0.000 6.604 -0.265) 6.609 2.893 ( 0.000 2.763 -2.984) 4.066 2.948 ( 0.000 0.980 1.103) 1.475 3.026 ( 0.000 7.900 0.615) 7.924 3.109 ( 0.000 3.639 -0.718) 3.710 3.121 ( 0.000 6.266 0.115) 6.267 3.178 ( 0.000 9.486 -0.312) 9.492 3.202 ( 0.000 7.350 0.454) 7.364 3.232 ( 0.000 2.826 -0.766) 2.928 3.250 ( 0.000 6.442 -0.162) 6.444 3.318 ( 0.000 1.995 0.977) 2.221 3.339 ( 0.000 4.377 2.819) 5.206 3.369 ( 0.000 5.023 2.094) 5.442 3.441 ( 0.000 3.215 -1.102) 3.399 3.469 ( 0.000 1.471 -4.413) 4.652 3.542 ( 0.000 2.082 -2.571) 3.308 3.560 ( 0.000 -1.060 1.816) 2.103 3.582 ( 0.000 0.644 -3.324) 3.386 3.657 ( 0.000 -0.867 -1.429) 1.672 3.739 ( 0.000 -1.508 2.401) 2.835 3.757 ( 0.000 -3.551 -0.071) 3.552 3.804 ( 0.000 0.985 2.629) 2.807 3.815 ( 0.000 -0.693 -4.022) 4.081 3.850 ( 0.000 -2.602 -0.856) 2.739 3.902 ( 0.000 -1.584 0.674) 1.721 3.914 ( 0.000 3.297 1.023) 3.452 3.948 ( 0.000 -1.179 0.401) 1.245 4.028 ( 0.000 -2.862 -2.310) 3.678 4.038 ( 0.000 1.622 3.742) 4.078 4.131 ( 0.000 0.342 -1.337) 1.380 4.191 ( 0.000 -1.624 1.355) 2.115 4.305 ( 0.000 -2.180 0.574) 2.254 4.313 ( 0.000 -2.152 3.299) 3.938 4.418 ( 0.000 0.041 -1.495) 1.495 4.456 ( 0.000 -1.390 0.860) 1.635 4.463 ( 0.000 0.722 0.534) 0.898 4.513 ( 0.000 -2.314 -1.764) 2.910 4.534 ( 0.000 1.985 -0.039) 1.985 4.664 ( 0.000 -0.714 1.718) 1.860 4.682 ( 0.000 1.891 1.946) 2.713 4.698 ( 0.000 1.525 1.005) 1.827 4.793 ( 0.000 -0.721 -2.684) 2.779 4.807 ( 0.000 1.097 -5.218) 5.332 4.842 ( 0.000 -1.406 -2.938) 3.257 4.887 ( 0.000 -5.591 -1.666) 5.834 4.912 ( 0.000 -5.567 0.294) 5.575 4.961 ( 0.000 -0.793 -2.535) 2.656 5.030 ( 0.000 -1.705 -5.291) 5.559 5.041 ( 0.000 -4.058 3.827) 5.578 5.119 ( 0.000 0.386 3.076) 3.100 5.267 ( 0.000 2.570 0.282) 2.586 5.287 ( 0.000 2.319 1.522) 2.774 5.372 ( 0.000 2.274 4.649) 5.176 5.431 ( 0.000 -0.288 2.286) 2.304 5.552 ( 0.000 1.629 1.357) 2.121 5.631 ( 0.000 3.432 0.692) 3.501 5.732 ( 0.000 -3.029 3.184) 4.395 5.802 ( 0.000 -2.448 2.705) 3.648 5.866 ( 0.000 -3.080 1.215) 3.311 5.872 ( 0.000 -4.268 1.846) 4.651 5.888 ( 0.000 -4.432 1.431) 4.657 5.919 ( 0.000 -1.477 -0.033) 1.477 5.975 ( 0.000 -1.976 1.308) 2.370 6.073 ( 0.000 -1.281 0.960) 1.601 6.093 ( 0.000 -2.549 -0.258) 2.562 6.142 ( 0.000 -3.262 -2.315) 4.000 6.262 ( 0.000 -1.805 1.557) 2.384 6.284 ( 0.000 -5.643 0.728) 5.690 6.290 ( 0.000 -3.227 0.811) 3.327 6.346 ( 0.000 -0.823 0.018) 0.823 6.422 ( 0.000 -3.702 0.640) 3.757 6.481 ( 0.000 -0.994 -0.565) 1.144 6.488 ( 0.000 0.450 0.335) 0.561 6.570 ( 0.000 -1.259 0.281) 1.290 6.603 ( 0.000 -2.832 0.587) 2.893 6.647 ( 0.000 -2.298 -1.055) 2.529 6.711 ( 0.000 -3.819 -2.441) 4.533 6.741 ( 0.000 -1.566 0.442) 1.627 6.821 ( 0.000 0.547 0.638) 0.841 6.882 ( 0.000 -3.844 -2.361) 4.511 6.911 ( 0.000 -0.740 -1.336) 1.527 6.961 ( 0.000 -3.740 -1.007) 3.874 7.112 ( 0.000 4.696 -0.818) 4.767 7.119 ( 0.000 5.203 -0.561) 5.233 7.191 ( 0.000 4.750 0.344) 4.762 7.209 ( 0.000 4.776 0.417) 4.795 7.217 ( 0.000 5.214 -3.442) 6.248 7.329 ( 0.000 7.507 -3.567) 8.311 7.397 ( 0.000 4.996 -3.654) 6.189 7.475 ( 0.000 -1.118 -7.332) 7.416 9.006 ( 0.000 0.520 -0.091) 0.528 9.090 ( 0.000 0.213 0.172) 0.274 9.093 ( 0.000 -1.213 -0.206) 1.230 9.171 ( 0.000 2.674 0.084) 2.676 9.204 ( 0.000 -1.301 -3.102) 3.364 9.221 ( 0.000 0.802 -2.867) 2.978 9.252 ( 0.000 1.018 -1.302) 1.653 9.332 ( 0.000 -2.185 -3.167) 3.848 9.337 ( 0.000 1.747 1.550) 2.335 9.375 ( 0.000 2.722 1.034) 2.911 9.397 ( 0.000 1.464 -0.937) 1.738 9.472 ( 0.000 1.176 -1.730) 2.092 9.551 ( 0.000 1.366 0.796) 1.581 9.556 ( 0.000 -0.504 -1.490) 1.573 9.572 ( 0.000 2.236 -0.001) 2.236 9.656 ( 0.000 -0.125 0.174) 0.214 9.794 ( 0.000 -5.083 0.494) 5.107 9.819 ( 0.000 -2.070 -0.945) 2.275 9.857 ( 0.000 -3.307 0.640) 3.368 9.873 ( 0.000 -1.555 -0.794) 1.746 9.895 ( 0.000 -2.884 -1.129) 3.097 9.897 ( 0.000 -3.936 -0.206) 3.941 9.944 ( 0.000 -4.728 0.535) 4.758 9.980 ( 0.000 -2.323 0.006) 2.323 11.026 ( 0.000 3.262 1.044) 3.425 11.052 ( 0.000 1.714 0.805) 1.893 11.096 ( 0.000 1.392 0.066) 1.394 11.104 ( 0.000 2.851 1.529) 3.235 11.176 ( 0.000 -0.276 5.094) 5.102 11.189 ( 0.000 0.762 5.556) 5.608 11.204 ( 0.000 2.492 3.239) 4.087 11.256 ( 0.000 -1.324 4.483) 4.675 11.303 ( 0.000 2.993 1.218) 3.232 11.347 ( 0.000 -1.475 -0.076) 1.477 11.349 ( 0.000 3.121 -0.018) 3.121 11.389 ( 0.000 1.195 -0.149) 1.204 11.445 ( 0.000 2.274 -0.218) 2.284 11.458 ( 0.000 0.984 -1.947) 2.182 11.499 ( 0.000 -0.980 -0.663) 1.183 11.519 ( 0.000 0.016 -1.798) 1.798 11.558 ( 0.000 -0.276 1.332) 1.360 11.576 ( 0.000 0.362 -0.704) 0.791 11.638 ( 0.000 0.754 -1.464) 1.647 11.673 ( 0.000 5.229 -0.783) 5.288 11.694 ( 0.000 -0.573 -0.653) 0.869 11.745 ( 0.000 -1.057 -0.918) 1.400 11.800 ( 0.000 0.006 1.665) 1.665 11.830 ( 0.000 2.089 2.666) 3.387 11.864 ( 0.000 -0.032 1.374) 1.374 11.904 ( 0.000 -2.836 1.362) 3.147 11.956 ( 0.000 2.632 3.018) 4.005 11.997 ( 0.000 0.656 3.543) 3.604 12.082 ( 0.000 -2.016 -1.001) 2.251 12.085 ( 0.000 -0.363 2.684) 2.709 12.160 ( 0.000 -2.486 3.103) 3.976 12.173 ( 0.000 0.509 0.996) 1.118 12.235 ( 0.000 3.517 -0.209) 3.523 12.301 ( 0.000 2.094 -0.766) 2.230 12.369 ( 0.000 8.669 0.596) 8.689 12.399 ( 0.000 10.175 0.496) 10.187 12.451 ( 0.000 12.246 1.040) 12.290 12.660 ( 0.000 1.897 -2.033) 2.781 12.662 ( 0.000 1.820 -2.010) 2.712 12.868 ( 0.000 4.687 -6.161) 7.741 15.965 ( 0.000 -0.353 0.456) 0.577 15.965 ( 0.000 -1.099 0.561) 1.234 15.981 ( 0.000 -0.581 -0.139) 0.597 15.981 ( 0.000 -0.973 0.459) 1.076 16.003 ( 0.000 -1.534 0.440) 1.596 16.019 ( 0.000 -0.658 -0.512) 0.833 16.030 ( 0.000 -1.785 0.034) 1.785 16.034 ( 0.000 -1.679 -0.126) 1.684 16.835 ( 0.000 -1.887 1.298) 2.290 16.913 ( 0.000 -0.726 4.805) 4.859 16.985 ( 0.000 0.771 4.768) 4.830 17.051 ( 0.000 0.012 -0.895) 0.895 17.083 ( 0.000 -1.289 6.391) 6.520 17.100 ( 0.000 0.006 1.441) 1.441 17.164 ( 0.000 2.329 0.112) 2.332 17.267 ( 0.000 -2.893 3.092) 4.235 17.324 ( 0.000 -4.918 -3.587) 6.087 17.467 ( 0.000 0.661 2.862) 2.938 17.519 ( 0.000 1.915 0.187) 1.924 17.664 ( 0.000 2.133 -4.322) 4.820 17.682 ( 0.000 4.725 0.762) 4.786 17.825 ( 0.000 4.182 -3.526) 5.470 17.874 ( 0.000 8.099 -2.769) 8.560 17.918 ( 0.000 8.153 -4.186) 9.165 17.984 ( 0.000 -8.753 8.459) 12.172 18.302 ( 0.000 -3.987 11.712) 12.372 18.329 ( 0.000 -6.076 9.508) 11.284 18.757 ( 0.000 -3.797 3.967) 5.491 18.996 ( 0.000 -20.307 -10.928) 23.061 19.124 ( 0.000 -7.859 -9.857) 12.607 19.222 ( 0.000 -12.861 -9.659) 16.084 19.443 ( 0.000 -3.618 -11.745) 12.289 ======================= Grid point 34 (16/30) ======================= q-point: ( 0.33 0.22 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 5.760 17.690 7.704) 20.136 1.260 ( 6.400 15.251 8.253) 18.484 1.387 ( -9.508 13.667 4.497) 17.246 1.478 ( -9.514 11.470 5.524) 15.893 1.685 ( -0.285 0.591 -1.504) 1.641 1.826 ( 2.734 2.449 1.045) 3.817 1.842 ( 2.524 4.182 1.753) 5.190 1.919 ( 1.217 2.693 -1.347) 3.248 1.938 ( 2.496 4.898 -0.975) 5.583 1.989 ( 0.505 3.765 -3.004) 4.843 2.026 ( 0.176 4.732 -0.435) 4.755 2.052 ( -0.569 1.731 -3.891) 4.296 2.062 ( -0.412 0.877 -2.346) 2.539 2.094 ( 1.649 7.324 -0.064) 7.508 2.109 ( -0.574 6.668 -4.278) 7.943 2.196 ( 2.565 6.424 -6.102) 9.223 2.218 ( -2.220 4.392 0.108) 4.923 2.266 ( 2.497 4.878 0.585) 5.511 2.314 ( 0.255 6.403 -4.442) 7.797 2.359 ( 2.736 3.694 -0.608) 4.636 2.391 ( -4.654 2.324 -0.323) 5.212 2.419 ( -2.425 6.522 -0.084) 6.958 2.442 ( 1.070 2.947 -2.404) 3.951 2.489 ( -1.787 4.782 0.675) 5.149 2.528 ( -0.307 1.917 1.056) 2.210 2.566 ( 0.168 4.108 0.428) 4.134 2.624 ( 2.955 3.511 0.186) 4.593 2.693 ( -0.814 5.237 0.330) 5.310 2.718 ( -2.312 3.563 -2.299) 4.830 2.770 ( -0.872 3.710 -1.802) 4.216 2.869 ( -0.793 1.252 -1.451) 2.074 2.891 ( -0.400 3.355 -1.618) 3.746 2.978 ( 2.598 3.694 1.968) 4.926 3.022 ( -0.532 4.764 2.017) 5.201 3.058 ( -3.044 7.590 0.447) 8.190 3.126 ( 0.710 6.317 0.205) 6.360 3.146 ( -1.592 4.733 0.998) 5.092 3.194 ( 0.688 5.665 -0.411) 5.722 3.227 ( -1.344 6.538 -0.310) 6.682 3.275 ( -0.874 6.248 -0.055) 6.309 3.309 ( 0.476 5.481 0.861) 5.569 3.351 ( 1.299 4.449 2.474) 5.254 3.411 ( 2.665 2.867 -0.128) 3.916 3.464 ( 2.470 -0.244 -0.698) 2.579 3.487 ( 0.689 0.886 -4.883) 5.010 3.530 ( -1.121 0.976 -2.409) 2.831 3.567 ( -0.566 -0.242 -2.713) 2.782 3.593 ( 1.125 -0.720 0.093) 1.339 3.656 ( 0.082 -0.791 0.348) 0.868 3.698 ( -2.296 -2.117 0.583) 3.177 3.763 ( 0.391 -2.544 -1.441) 2.950 3.793 ( 1.090 0.495 0.402) 1.263 3.831 ( -0.492 -1.468 0.447) 1.611 3.847 ( -0.334 -1.571 1.401) 2.131 3.881 ( -1.262 0.804 1.958) 2.464 3.920 ( 0.572 1.494 -0.705) 1.748 3.990 ( 1.804 0.605 1.304) 2.307 4.017 ( 0.065 -0.476 -0.180) 0.513 4.031 ( -0.341 0.133 0.926) 0.996 4.143 ( 0.348 -0.924 -0.972) 1.385 4.196 ( 1.138 -1.101 -0.173) 1.592 4.258 ( -3.189 -2.290 -0.479) 3.955 4.354 ( 2.221 -2.630 1.143) 3.627 4.427 ( -0.782 -1.216 -0.003) 1.446 4.445 ( 0.512 -0.479 0.450) 0.833 4.461 ( -0.827 -0.124 -0.084) 0.840 4.532 ( 2.558 -2.559 -0.658) 3.677 4.553 ( 1.447 1.060 0.818) 1.972 4.622 ( -2.287 1.539 1.459) 3.119 4.668 ( -1.572 -0.076 1.094) 1.917 4.739 ( 2.770 0.743 0.191) 2.875 4.780 ( -1.191 0.222 -2.007) 2.345 4.803 ( -1.393 0.104 -3.858) 4.103 4.847 ( 0.784 -0.229 -3.177) 3.280 4.866 ( -0.596 -2.193 -2.084) 3.084 4.911 ( -0.788 -4.761 -1.884) 5.181 4.940 ( -0.844 -4.196 -0.459) 4.305 5.027 ( -0.337 0.602 1.058) 1.263 5.062 ( 1.601 -4.025 -3.546) 5.598 5.146 ( 1.447 -3.286 3.858) 5.271 5.243 ( -1.159 4.118 -0.836) 4.359 5.307 ( 1.027 1.069 4.999) 5.214 5.346 ( -1.556 1.009 2.656) 3.239 5.451 ( 0.709 3.345 3.010) 4.556 5.569 ( 1.888 -0.916 0.352) 2.128 5.666 ( 2.681 2.528 0.483) 3.716 5.706 ( -2.246 -1.698 3.452) 4.455 5.799 ( -0.463 -1.371 3.178) 3.492 5.846 ( -1.210 -4.227 0.553) 4.432 5.865 ( -0.606 -4.110 1.556) 4.437 5.889 ( -0.094 -3.143 -0.235) 3.153 5.932 ( 1.193 -2.079 1.496) 2.826 5.982 ( 1.113 -2.243 1.828) 3.100 6.027 ( -3.420 -1.896 1.412) 4.157 6.119 ( 1.516 -2.944 -1.128) 3.498 6.155 ( 0.411 -2.124 -1.622) 2.704 6.267 ( 0.407 -2.658 1.179) 2.937 6.276 ( -0.310 -3.718 1.045) 3.875 6.306 ( 1.857 -3.561 0.128) 4.018 6.350 ( -1.103 -1.819 -0.743) 2.253 6.417 ( 0.852 -2.989 1.670) 3.528 6.464 ( -1.979 -0.382 0.781) 2.161 6.506 ( 1.627 -1.659 -0.514) 2.380 6.546 ( -3.033 -1.945 0.154) 3.607 6.577 ( 0.951 -1.583 0.556) 1.928 6.618 ( -3.421 -2.451 -0.431) 4.230 6.733 ( 3.979 -2.344 -0.833) 4.693 6.790 ( -0.750 -1.830 -1.233) 2.330 6.820 ( 0.952 -1.334 -0.193) 1.650 6.887 ( -0.384 -2.585 -0.931) 2.774 6.916 ( 2.059 -2.127 -1.864) 3.498 6.954 ( -1.176 -2.520 -2.131) 3.503 7.099 ( -0.336 4.541 -0.784) 4.620 7.145 ( 1.545 5.278 0.351) 5.511 7.178 ( -1.439 4.775 -0.927) 5.072 7.196 ( -0.189 3.987 -0.565) 4.031 7.250 ( 2.334 5.312 -3.123) 6.589 7.320 ( -1.200 6.476 -3.301) 7.367 7.385 ( -1.082 5.119 -3.967) 6.566 7.452 ( -1.388 1.489 -4.945) 5.348 9.011 ( 0.333 0.379 -0.435) 0.666 9.074 ( -0.486 0.481 -0.045) 0.685 9.118 ( 1.047 0.862 0.483) 1.440 9.161 ( -0.798 -0.620 -1.355) 1.690 9.205 ( 0.011 0.233 -1.725) 1.740 9.226 ( 1.000 0.008 0.125) 1.008 9.266 ( 1.081 0.907 -1.415) 1.998 9.300 ( -2.742 -1.654 -1.621) 3.589 9.332 ( -0.293 2.051 -1.062) 2.328 9.365 ( -0.921 2.609 -0.738) 2.863 9.403 ( 0.901 -0.381 -1.555) 1.837 9.451 ( -1.584 2.977 -1.002) 3.518 9.545 ( -0.164 1.212 -0.817) 1.471 9.572 ( 0.581 1.913 0.625) 2.095 9.586 ( 1.116 -0.187 -0.857) 1.419 9.649 ( -0.574 -0.315 0.074) 0.659 9.786 ( -0.508 -4.847 0.260) 4.881 9.818 ( -0.056 -1.811 0.283) 1.834 9.855 ( 0.144 -1.873 -0.392) 1.919 9.874 ( -0.107 -2.317 0.202) 2.328 9.895 ( 0.058 -3.731 -0.622) 3.783 9.918 ( 1.552 -3.820 -0.947) 4.231 9.942 ( -0.469 -4.595 0.243) 4.625 9.979 ( -0.106 -2.046 -0.168) 2.056 11.038 ( 0.683 3.314 1.267) 3.613 11.052 ( 0.328 2.913 1.281) 3.199 11.095 ( -0.220 1.645 0.043) 1.660 11.114 ( 0.464 2.665 1.538) 3.111 11.177 ( 0.931 -0.074 5.054) 5.140 11.208 ( 0.512 -0.462 4.846) 4.895 11.221 ( 0.821 2.351 2.906) 3.827 11.239 ( -0.738 0.415 3.666) 3.762 11.306 ( 0.607 2.228 -0.214) 2.319 11.341 ( 0.051 -0.013 1.134) 1.135 11.348 ( -0.558 0.223 0.962) 1.134 11.381 ( -0.066 0.353 -0.402) 0.539 11.421 ( -3.191 -0.348 -1.127) 3.402 11.453 ( 0.280 0.903 -0.950) 1.340 11.505 ( 0.929 -2.080 -0.544) 2.342 11.529 ( 0.948 1.134 -0.380) 1.526 11.565 ( -0.118 1.374 0.084) 1.382 11.582 ( 1.130 2.012 -0.305) 2.328 11.624 ( -1.695 3.022 -0.711) 3.537 11.668 ( -1.442 0.398 -1.462) 2.092 11.693 ( 0.072 -0.413 0.142) 0.443 11.734 ( 0.817 0.038 0.540) 0.980 11.803 ( 0.562 0.549 -1.007) 1.277 11.847 ( -0.554 0.408 1.382) 1.544 11.858 ( 0.196 0.493 1.664) 1.746 11.920 ( 1.262 -0.510 1.268) 1.861 11.942 ( -0.751 1.355 3.421) 3.755 11.992 ( -0.738 2.267 4.689) 5.260 12.059 ( -0.633 -0.900 -1.125) 1.574 12.095 ( 0.118 -1.453 3.254) 3.566 12.131 ( -0.722 -1.825 2.237) 2.975 12.200 ( 0.343 1.834 3.884) 4.309 12.278 ( 2.904 3.011 -2.015) 4.643 12.321 ( 0.879 2.935 -0.689) 3.140 12.347 ( 0.422 4.638 -1.400) 4.863 12.415 ( 0.176 12.966 -0.517) 12.977 12.461 ( 1.327 9.099 2.115) 9.435 12.528 ( -6.629 2.015 0.521) 6.948 12.775 ( 5.144 3.271 -4.082) 7.337 12.846 ( -2.455 4.158 -5.575) 7.375 15.963 ( -0.026 -0.786 0.486) 0.925 15.965 ( -0.035 -0.827 0.602) 1.023 15.981 ( 0.096 -0.569 0.123) 0.590 15.983 ( -0.007 -0.616 0.091) 0.622 16.008 ( 0.480 -1.645 0.249) 1.731 16.020 ( -0.165 -1.406 -0.043) 1.417 16.026 ( -0.015 -1.283 -0.160) 1.293 16.031 ( -0.263 -1.475 -0.248) 1.519 16.843 ( 0.762 -1.748 1.893) 2.687 16.884 ( -1.962 -0.804 3.155) 3.802 17.003 ( 1.062 0.470 5.627) 5.746 17.053 ( -0.263 0.095 4.043) 4.053 17.070 ( -0.061 0.001 1.040) 1.042 17.134 ( -0.915 0.083 0.594) 1.094 17.174 ( 5.134 0.057 1.140) 5.259 17.294 ( 2.891 -2.086 1.437) 3.844 17.333 ( -5.912 -0.582 1.731) 6.188 17.386 ( 0.929 -3.914 -1.679) 4.359 17.499 ( -4.284 -0.413 -2.399) 4.927 17.662 ( 2.414 2.783 0.994) 3.816 17.718 ( -0.370 4.201 -2.859) 5.095 17.812 ( -3.458 6.748 0.141) 7.583 17.844 ( 2.851 5.354 -1.784) 6.323 17.900 ( -1.788 5.120 -3.232) 6.314 18.069 ( 6.273 -5.139 7.372) 10.960 18.188 ( -6.093 -2.256 10.046) 11.964 18.500 ( 11.083 -5.830 7.433) 14.563 18.681 ( -7.871 -4.553 4.800) 10.282 18.987 ( -0.532 -16.853 -12.464) 20.968 19.109 ( -0.832 -14.743 -8.078) 16.832 19.288 ( 5.777 -7.772 -10.341) 14.168 19.394 ( -4.897 -4.509 -11.028) 12.882 ======================= Grid point 36 (17/30) ======================= q-point: ( 0.00 0.33 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 8.782 1.717) 8.949 1.493 ( 0.000 13.202 5.580) 14.332 1.566 ( 0.000 0.851 -2.023) 2.195 1.740 ( 0.000 2.433 -2.292) 3.343 1.758 ( 0.000 3.734 1.831) 4.158 1.794 ( 0.000 1.371 -1.202) 1.823 1.862 ( 0.000 1.405 0.067) 1.407 1.961 ( 0.000 2.710 -1.443) 3.070 1.972 ( 0.000 4.855 0.297) 4.864 2.026 ( 0.000 4.649 -2.832) 5.443 2.033 ( 0.000 3.098 -3.871) 4.958 2.098 ( 0.000 0.916 -5.930) 6.000 2.189 ( 0.000 4.394 -1.922) 4.796 2.206 ( 0.000 2.310 -3.717) 4.377 2.236 ( 0.000 4.919 -0.585) 4.954 2.280 ( 0.000 4.354 -0.641) 4.401 2.293 ( 0.000 3.330 0.470) 3.363 2.344 ( 0.000 5.655 0.997) 5.742 2.365 ( 0.000 -0.174 -3.218) 3.223 2.415 ( 0.000 3.268 0.490) 3.305 2.444 ( 0.000 1.396 -2.824) 3.150 2.520 ( 0.000 4.164 0.673) 4.218 2.567 ( 0.000 3.321 0.781) 3.411 2.572 ( 0.000 3.436 -0.462) 3.467 2.617 ( 0.000 2.757 -0.425) 2.790 2.624 ( 0.000 1.806 -0.550) 1.888 2.691 ( 0.000 0.532 0.935) 1.076 2.729 ( 0.000 -0.774 -0.972) 1.242 2.786 ( 0.000 4.859 1.011) 4.963 2.833 ( 0.000 1.532 -0.326) 1.566 2.943 ( 0.000 3.316 -3.542) 4.853 2.958 ( 0.000 2.416 0.327) 2.438 3.032 ( 0.000 4.226 0.413) 4.246 3.113 ( 0.000 -0.198 3.507) 3.512 3.136 ( 0.000 1.000 0.160) 1.013 3.174 ( 0.000 -1.864 -1.076) 2.152 3.237 ( 0.000 -0.482 -1.980) 2.037 3.247 ( 0.000 -2.551 6.001) 6.521 3.278 ( 0.000 -1.944 -2.072) 2.841 3.311 ( 0.000 0.054 -1.206) 1.207 3.390 ( 0.000 2.659 0.762) 2.766 3.418 ( 0.000 -0.096 1.283) 1.287 3.433 ( 0.000 1.867 0.427) 1.916 3.494 ( 0.000 2.011 -0.336) 2.039 3.521 ( 0.000 -2.575 0.471) 2.617 3.557 ( 0.000 -1.432 0.782) 1.632 3.559 ( 0.000 4.559 0.477) 4.584 3.635 ( 0.000 3.984 1.842) 4.390 3.641 ( 0.000 -3.730 1.723) 4.108 3.675 ( 0.000 2.145 -2.374) 3.199 3.682 ( 0.000 -0.990 -0.900) 1.338 3.819 ( 0.000 1.673 -4.562) 4.859 3.846 ( 0.000 2.756 0.617) 2.824 3.894 ( 0.000 4.467 -0.742) 4.528 3.909 ( 0.000 1.242 -1.202) 1.729 3.960 ( 0.000 1.655 -3.368) 3.753 3.967 ( 0.000 4.922 -1.423) 5.123 4.064 ( 0.000 4.616 1.928) 5.003 4.125 ( 0.000 6.028 2.736) 6.620 4.159 ( 0.000 1.378 0.104) 1.382 4.211 ( 0.000 3.600 1.863) 4.054 4.270 ( 0.000 -0.208 2.171) 2.181 4.276 ( 0.000 -0.139 1.934) 1.939 4.348 ( 0.000 -3.976 -1.642) 4.302 4.461 ( 0.000 0.390 -0.006) 0.390 4.473 ( 0.000 0.318 -0.364) 0.484 4.505 ( 0.000 1.152 0.359) 1.207 4.557 ( 0.000 -0.017 -0.870) 0.870 4.669 ( 0.000 1.258 2.150) 2.491 4.709 ( 0.000 -0.826 1.553) 1.759 4.717 ( 0.000 1.594 1.109) 1.942 4.777 ( 0.000 -1.922 1.434) 2.398 4.782 ( 0.000 -2.797 -0.007) 2.797 4.830 ( 0.000 -1.179 -2.185) 2.483 4.848 ( 0.000 1.421 0.826) 1.644 4.851 ( 0.000 1.809 -1.794) 2.547 4.953 ( 0.000 0.544 2.869) 2.921 5.024 ( 0.000 1.726 -5.478) 5.744 5.035 ( 0.000 1.572 -2.306) 2.791 5.126 ( 0.000 -0.911 6.849) 6.909 5.333 ( 0.000 4.362 1.957) 4.781 5.353 ( 0.000 4.604 3.993) 6.095 5.439 ( 0.000 4.580 1.865) 4.945 5.489 ( 0.000 6.023 -4.861) 7.740 5.590 ( 0.000 1.593 1.059) 1.913 5.687 ( 0.000 -0.270 1.776) 1.797 5.713 ( 0.000 0.546 -0.297) 0.622 5.762 ( 0.000 -2.129 0.483) 2.184 5.783 ( 0.000 -1.794 1.657) 2.442 5.815 ( 0.000 -1.700 0.326) 1.731 5.828 ( 0.000 -2.448 0.731) 2.554 5.897 ( 0.000 0.264 -0.032) 0.266 5.991 ( 0.000 1.539 -0.054) 1.540 6.027 ( 0.000 -2.449 -0.185) 2.456 6.050 ( 0.000 -2.288 -2.215) 3.185 6.092 ( 0.000 -0.722 -0.574) 0.923 6.160 ( 0.000 -5.337 1.867) 5.654 6.206 ( 0.000 -3.928 0.606) 3.974 6.229 ( 0.000 -2.070 1.245) 2.416 6.298 ( 0.000 -4.669 0.480) 4.694 6.347 ( 0.000 -2.536 0.729) 2.639 6.433 ( 0.000 -3.531 0.078) 3.531 6.470 ( 0.000 -2.378 -0.555) 2.441 6.543 ( 0.000 -2.702 0.515) 2.751 6.549 ( 0.000 -0.847 0.150) 0.860 6.588 ( 0.000 -3.517 -1.744) 3.925 6.619 ( 0.000 -4.558 -1.480) 4.793 6.683 ( 0.000 -5.368 -1.931) 5.705 6.804 ( 0.000 -2.544 -0.449) 2.583 6.813 ( 0.000 -0.986 0.182) 1.003 6.883 ( 0.000 -3.025 -1.552) 3.400 6.894 ( 0.000 -0.729 -1.332) 1.518 7.188 ( 0.000 2.897 -1.799) 3.410 7.210 ( 0.000 3.113 -1.947) 3.672 7.273 ( 0.000 3.376 0.677) 3.444 7.289 ( 0.000 1.981 -1.484) 2.475 7.329 ( 0.000 5.211 0.663) 5.253 7.407 ( 0.000 0.447 -1.658) 1.717 7.464 ( 0.000 1.895 -2.495) 3.133 7.486 ( 0.000 2.588 -2.198) 3.395 9.025 ( 0.000 1.097 -0.577) 1.239 9.067 ( 0.000 -0.974 -0.629) 1.160 9.098 ( 0.000 0.794 -1.263) 1.492 9.153 ( 0.000 -2.765 -1.988) 3.406 9.165 ( 0.000 -2.486 -1.893) 3.125 9.204 ( 0.000 -2.413 -4.501) 5.107 9.247 ( 0.000 -0.172 1.034) 1.048 9.300 ( 0.000 -0.748 0.200) 0.774 9.398 ( 0.000 2.381 -0.354) 2.407 9.421 ( 0.000 0.496 -2.293) 2.346 9.450 ( 0.000 3.614 1.135) 3.788 9.507 ( 0.000 0.477 0.144) 0.498 9.546 ( 0.000 -0.724 0.197) 0.751 9.552 ( 0.000 0.867 -0.532) 1.017 9.612 ( 0.000 0.833 1.467) 1.687 9.619 ( 0.000 -2.291 -0.125) 2.294 9.721 ( 0.000 -1.896 0.806) 2.060 9.786 ( 0.000 -3.546 -0.268) 3.556 9.804 ( 0.000 0.528 -0.741) 0.910 9.817 ( 0.000 -2.887 0.390) 2.913 9.854 ( 0.000 -0.364 0.158) 0.397 9.871 ( 0.000 0.068 -0.777) 0.780 9.914 ( 0.000 1.444 -0.772) 1.638 9.963 ( 0.000 0.115 1.329) 1.334 11.088 ( 0.000 3.192 1.292) 3.443 11.090 ( 0.000 2.027 0.715) 2.149 11.151 ( 0.000 0.678 4.359) 4.412 11.161 ( 0.000 3.194 0.978) 3.340 11.180 ( 0.000 1.743 3.712) 4.101 11.197 ( 0.000 0.372 4.471) 4.486 11.221 ( 0.000 0.927 3.001) 3.141 11.294 ( 0.000 -1.727 -0.633) 1.839 11.306 ( 0.000 3.424 -0.079) 3.425 11.339 ( 0.000 -0.226 1.633) 1.648 11.396 ( 0.000 1.273 -0.153) 1.283 11.402 ( 0.000 -0.803 -0.568) 0.984 11.442 ( 0.000 -1.780 -2.097) 2.750 11.460 ( 0.000 -0.733 -0.847) 1.120 11.507 ( 0.000 0.379 0.150) 0.408 11.534 ( 0.000 0.505 0.143) 0.525 11.580 ( 0.000 2.669 -0.191) 2.676 11.585 ( 0.000 1.095 -0.031) 1.095 11.666 ( 0.000 0.978 -0.054) 0.979 11.686 ( 0.000 0.960 -0.815) 1.259 11.695 ( 0.000 -2.467 1.303) 2.790 11.779 ( 0.000 0.205 -0.273) 0.341 11.800 ( 0.000 0.397 1.619) 1.667 11.823 ( 0.000 2.159 -1.396) 2.572 11.856 ( 0.000 -0.582 0.233) 0.627 11.918 ( 0.000 1.383 1.446) 2.001 11.999 ( 0.000 1.718 3.775) 4.148 12.001 ( 0.000 -3.291 -0.863) 3.403 12.036 ( 0.000 2.709 3.183) 4.180 12.063 ( 0.000 -2.226 3.077) 3.798 12.143 ( 0.000 1.371 2.667) 2.998 12.151 ( 0.000 -2.169 2.050) 2.984 12.298 ( 0.000 2.052 0.857) 2.223 12.321 ( 0.000 0.327 -0.690) 0.763 12.543 ( 0.000 7.558 0.433) 7.571 12.578 ( 0.000 7.629 0.419) 7.641 12.692 ( 0.000 3.345 -2.417) 4.127 12.711 ( 0.000 2.479 -1.705) 3.009 12.753 ( 0.000 12.508 0.045) 12.508 12.989 ( 0.000 6.073 -4.764) 7.718 15.941 ( 0.000 -0.994 0.611) 1.167 15.955 ( 0.000 -0.786 0.239) 0.821 15.965 ( 0.000 -0.601 0.236) 0.646 15.967 ( 0.000 -0.592 0.011) 0.592 15.980 ( 0.000 -0.529 -0.001) 0.529 15.995 ( 0.000 -1.461 0.095) 1.464 15.998 ( 0.000 -1.308 -0.361) 1.357 16.007 ( 0.000 -0.889 -0.482) 1.011 16.801 ( 0.000 -1.336 -0.321) 1.374 16.907 ( 0.000 0.454 2.799) 2.836 16.996 ( 0.000 -4.916 -3.114) 5.819 17.002 ( 0.000 0.916 2.428) 2.595 17.070 ( 0.000 0.619 2.945) 3.010 17.117 ( 0.000 1.288 1.311) 1.838 17.198 ( 0.000 -1.634 4.526) 4.812 17.235 ( 0.000 2.708 -2.698) 3.822 17.239 ( 0.000 -2.872 -0.845) 2.994 17.413 ( 0.000 -4.997 3.152) 5.909 17.484 ( 0.000 -5.190 -1.932) 5.537 17.604 ( 0.000 -7.285 -4.386) 8.503 17.661 ( 0.000 -7.999 -1.685) 8.174 17.727 ( 0.000 -11.535 -3.984) 12.203 17.773 ( 0.000 -6.215 5.024) 7.991 18.040 ( 0.000 4.538 -1.178) 4.689 18.044 ( 0.000 7.430 0.362) 7.439 18.284 ( 0.000 -5.779 3.205) 6.608 18.390 ( 0.000 9.852 7.288) 12.255 18.661 ( 0.000 -4.677 -3.151) 5.639 18.798 ( 0.000 3.650 1.456) 3.929 18.994 ( 0.000 -4.967 -5.650) 7.523 19.027 ( 0.000 -4.536 -3.394) 5.665 19.365 ( 0.000 -4.390 -7.585) 8.764 ======================= Grid point 37 (18/30) ======================= q-point: ( 0.33 0.33 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.162 5.912 0.806) 5.969 1.508 ( -1.409 11.664 3.783) 12.343 1.582 ( 3.304 4.105 1.586) 5.504 1.690 ( -5.570 6.463 1.821) 8.724 1.740 ( 0.882 6.001 -2.076) 6.411 1.820 ( 1.536 0.775 -0.015) 1.721 1.868 ( 0.085 0.650 0.056) 0.658 1.957 ( -0.043 2.311 -4.139) 4.741 1.981 ( -0.012 2.134 -1.990) 2.918 2.016 ( 0.221 1.219 -3.667) 3.871 2.054 ( -2.552 2.832 -0.978) 3.936 2.112 ( 3.289 4.103 -1.232) 5.401 2.147 ( -0.269 1.976 -4.733) 5.136 2.218 ( -0.133 3.645 -3.151) 4.820 2.235 ( -0.147 5.579 0.897) 5.652 2.285 ( 1.230 3.801 -2.671) 4.806 2.319 ( 0.013 3.528 -1.732) 3.930 2.354 ( 0.018 3.482 -0.911) 3.599 2.401 ( 2.709 2.016 -2.182) 4.020 2.411 ( 2.126 2.760 -2.186) 4.113 2.454 ( -1.456 2.723 -2.036) 3.699 2.513 ( -0.636 3.595 0.435) 3.677 2.540 ( -0.320 1.717 0.068) 1.748 2.561 ( -1.444 3.257 0.540) 3.603 2.603 ( -1.689 3.916 1.126) 4.411 2.628 ( -0.026 1.941 2.547) 3.202 2.673 ( -0.187 0.782 0.810) 1.141 2.736 ( 0.506 1.595 -2.114) 2.696 2.794 ( 0.413 2.892 0.072) 2.923 2.836 ( -0.485 1.066 -0.606) 1.319 2.920 ( -0.185 3.941 -1.053) 4.084 2.965 ( -0.439 3.163 -0.888) 3.314 3.055 ( 1.469 1.697 2.127) 3.092 3.096 ( -0.932 2.436 2.072) 3.331 3.148 ( 0.987 0.412 0.992) 1.459 3.178 ( 0.275 -1.329 1.698) 2.174 3.193 ( -1.441 -0.369 -0.463) 1.558 3.252 ( -1.379 -1.619 -2.629) 3.382 3.318 ( 3.296 1.799 2.108) 4.307 3.346 ( 1.149 -2.135 -1.524) 2.863 3.374 ( 1.100 1.085 0.486) 1.620 3.401 ( -2.723 -1.165 0.924) 3.103 3.436 ( 0.800 -0.587 1.520) 1.815 3.473 ( -2.270 -0.820 0.623) 2.493 3.497 ( -1.624 0.863 1.624) 2.453 3.533 ( -0.050 0.263 -0.344) 0.436 3.555 ( -3.009 -4.115 0.264) 5.105 3.619 ( 1.106 6.108 0.352) 6.217 3.642 ( 0.403 3.961 -2.757) 4.843 3.680 ( 0.710 1.340 -0.763) 1.697 3.739 ( 2.415 0.690 -0.215) 2.521 3.795 ( -1.498 -0.842 -2.248) 2.830 3.843 ( -0.588 3.600 -2.589) 4.473 3.879 ( 0.741 3.157 2.057) 3.840 3.927 ( 0.060 2.502 -0.478) 2.548 3.982 ( 1.347 3.535 -1.301) 4.001 4.018 ( 3.407 3.675 -1.842) 5.339 4.053 ( -0.979 4.234 0.591) 4.386 4.104 ( -1.606 3.155 1.852) 3.995 4.175 ( 1.098 3.401 0.764) 3.654 4.192 ( -0.046 1.619 1.846) 2.456 4.236 ( -2.716 1.387 0.859) 3.169 4.304 ( 1.307 -0.368 0.566) 1.471 4.352 ( 0.020 -3.541 -0.186) 3.546 4.455 ( -0.408 -0.188 -0.031) 0.451 4.477 ( 0.351 1.492 0.500) 1.612 4.509 ( 0.444 0.058 -0.389) 0.593 4.554 ( -0.373 -0.819 -0.365) 0.971 4.653 ( -0.891 1.574 0.523) 1.883 4.710 ( 0.222 2.207 3.203) 3.896 4.732 ( 0.789 -1.622 0.680) 1.928 4.778 ( 0.013 -2.218 -1.858) 2.893 4.782 ( -0.245 -1.382 3.155) 3.453 4.824 ( 0.273 -0.209 -0.711) 0.789 4.841 ( -0.950 -0.196 1.064) 1.440 4.859 ( 0.503 1.782 -3.131) 3.638 4.946 ( -0.431 2.446 1.011) 2.682 5.029 ( 0.323 0.517 -1.893) 1.988 5.038 ( 0.135 0.933 -3.641) 3.761 5.124 ( -0.158 -0.656 6.411) 6.446 5.333 ( 0.087 4.638 2.268) 5.164 5.355 ( 0.025 4.007 5.609) 6.893 5.419 ( -0.952 6.631 -3.477) 7.548 5.524 ( 2.510 4.063 -0.152) 4.778 5.580 ( -1.160 1.768 0.282) 2.134 5.681 ( -0.419 -0.241 2.345) 2.394 5.720 ( 0.472 -0.428 -0.975) 1.164 5.760 ( -0.220 -2.400 0.068) 2.411 5.785 ( 0.080 -1.334 1.669) 2.138 5.791 ( -0.491 -2.587 1.065) 2.841 5.865 ( 1.939 0.150 -0.965) 2.171 5.915 ( 1.202 0.317 -0.126) 1.250 5.960 ( -1.724 -1.301 1.212) 2.476 5.988 ( -2.732 -0.082 0.760) 2.837 6.066 ( 0.824 -1.907 -2.933) 3.594 6.120 ( 1.509 -1.579 -1.569) 2.689 6.180 ( 1.601 -4.534 1.690) 5.097 6.208 ( -1.586 -3.016 1.479) 3.714 6.225 ( 2.054 -4.156 0.290) 4.645 6.286 ( -1.911 -4.176 0.594) 4.630 6.350 ( 0.962 -3.378 0.741) 3.589 6.413 ( -3.470 -4.345 0.307) 5.568 6.463 ( 1.989 -2.235 -0.218) 3.000 6.509 ( -2.147 -1.701 -0.096) 2.741 6.551 ( -0.107 -1.049 0.378) 1.120 6.568 ( -1.571 -2.139 -0.167) 2.660 6.660 ( 3.994 -4.979 -2.181) 6.746 6.710 ( -0.427 -6.284 -2.611) 6.818 6.795 ( 0.017 -0.940 0.069) 0.942 6.824 ( 0.253 -2.380 -0.211) 2.402 6.873 ( 0.770 -1.571 -0.984) 2.007 6.898 ( -0.820 -2.124 -1.846) 2.931 7.181 ( -0.371 3.173 -1.691) 3.615 7.228 ( 1.402 2.453 -2.353) 3.676 7.259 ( -1.200 2.944 0.442) 3.210 7.289 ( -0.083 3.552 -0.554) 3.596 7.342 ( 1.117 4.133 0.001) 4.282 7.389 ( -1.445 1.067 -1.064) 2.088 7.468 ( 0.310 2.739 -2.449) 3.687 7.483 ( -0.208 1.994 -2.201) 2.977 9.025 ( 0.089 0.939 -1.315) 1.618 9.086 ( 1.169 0.489 -1.275) 1.798 9.103 ( 1.102 -1.363 -1.612) 2.381 9.145 ( -1.563 -0.604 -0.948) 1.925 9.175 ( 0.061 -2.421 -3.136) 3.962 9.204 ( 2.349 -2.320 -0.540) 3.346 9.225 ( -2.029 -1.774 0.172) 2.701 9.267 ( -3.255 -1.460 0.173) 3.572 9.407 ( 0.073 1.630 -1.582) 2.273 9.411 ( 0.890 1.832 -1.687) 2.645 9.450 ( -0.915 4.049 0.785) 4.224 9.516 ( 0.524 1.682 0.326) 1.792 9.548 ( 0.181 -0.928 -0.099) 0.951 9.565 ( 1.308 -0.379 -0.734) 1.547 9.588 ( -1.409 -0.629 0.919) 1.796 9.626 ( -0.039 -0.745 0.192) 0.771 9.714 ( -0.390 -1.488 0.755) 1.714 9.787 ( -0.146 -2.863 0.337) 2.886 9.813 ( 1.786 -1.531 0.058) 2.353 9.844 ( 0.838 -0.218 -0.062) 0.868 9.856 ( -0.657 -0.474 -0.679) 1.057 9.871 ( 0.446 -0.518 0.059) 0.686 9.893 ( -1.090 0.487 -0.979) 1.544 9.974 ( 0.579 0.609 0.873) 1.211 11.091 ( 0.308 2.178 1.161) 2.487 11.107 ( 1.196 2.441 2.089) 3.428 11.140 ( -0.702 2.113 1.877) 2.912 11.177 ( 0.210 1.622 3.746) 4.087 11.183 ( 0.874 1.023 3.959) 4.181 11.206 ( 0.585 1.813 3.452) 3.943 11.235 ( 1.561 0.138 1.731) 2.335 11.284 ( -0.777 0.786 0.385) 1.171 11.308 ( -1.010 0.068 -0.120) 1.019 11.348 ( 0.610 0.031 0.780) 0.991 11.355 ( -0.170 -0.030 -0.303) 0.349 11.408 ( -1.139 -0.022 -1.389) 1.796 11.419 ( -3.258 0.518 -0.641) 3.361 11.444 ( -0.276 -0.100 -0.983) 1.026 11.478 ( -1.531 -0.374 -0.262) 1.597 11.519 ( -0.718 -1.668 1.322) 2.246 11.600 ( 2.258 1.208 0.435) 2.597 11.627 ( 2.199 1.624 0.112) 2.736 11.656 ( -0.999 -0.701 0.343) 1.268 11.675 ( -0.608 0.459 -0.506) 0.915 11.709 ( 1.046 2.484 -0.751) 2.798 11.764 ( -1.840 1.324 -0.036) 2.268 11.814 ( 1.837 1.298 0.942) 2.439 11.849 ( 0.678 0.523 0.134) 0.867 11.853 ( 0.226 -0.615 -0.113) 0.665 11.925 ( -0.005 0.461 2.116) 2.166 11.973 ( -0.980 -2.068 -1.541) 2.759 11.999 ( -0.028 0.016 1.176) 1.177 12.047 ( -0.582 2.202 3.784) 4.417 12.064 ( 0.758 -0.462 4.548) 4.634 12.108 ( -0.655 -0.314 2.207) 2.324 12.206 ( 1.741 -0.793 4.543) 4.929 12.329 ( 3.730 2.036 -1.277) 4.438 12.365 ( 4.241 1.631 -1.242) 4.711 12.443 ( -6.044 4.274 -0.406) 7.413 12.538 ( -7.886 0.956 -0.622) 7.968 12.662 ( 4.486 10.414 0.607) 11.355 12.725 ( -2.396 12.495 0.130) 12.723 12.855 ( 7.124 4.122 -3.052) 8.778 12.955 ( -3.779 5.499 -4.244) 7.908 15.943 ( 0.247 -0.879 0.561) 1.072 15.950 ( -0.414 -0.715 0.431) 0.932 15.969 ( 0.392 -0.886 -0.068) 0.971 15.971 ( 0.189 -0.446 -0.029) 0.485 15.980 ( -0.100 -0.816 -0.071) 0.825 15.989 ( -0.310 -1.240 0.335) 1.322 16.001 ( 0.128 -1.255 -0.480) 1.350 16.006 ( -0.073 -0.962 -0.371) 1.033 16.814 ( 1.362 -0.832 0.238) 1.614 16.872 ( -2.627 0.063 1.784) 3.176 17.013 ( 1.602 0.134 1.937) 2.517 17.043 ( 1.185 -0.935 -0.712) 1.669 17.069 ( 1.198 -0.889 2.037) 2.525 17.105 ( 0.301 -1.449 -0.148) 1.487 17.185 ( -1.537 -0.675 -0.839) 1.877 17.250 ( 0.540 -1.663 1.002) 2.015 17.291 ( 1.184 -3.665 0.101) 3.853 17.304 ( -1.720 -1.283 1.096) 2.410 17.432 ( -6.139 -4.769 -2.365) 8.125 17.573 ( -4.024 -8.226 -0.308) 9.163 17.722 ( 7.985 -5.662 0.196) 9.791 17.797 ( 5.330 -7.168 0.909) 8.979 17.815 ( 1.896 -10.016 0.047) 10.194 17.944 ( -8.454 0.257 -0.068) 8.458 18.068 ( 1.498 8.181 -0.326) 8.324 18.258 ( -2.329 5.089 6.180) 8.337 18.472 ( 8.156 -2.321 -0.786) 8.516 18.647 ( -6.831 0.663 -1.683) 7.066 18.780 ( 4.615 -1.190 0.492) 4.791 18.898 ( -6.408 -1.087 -1.087) 6.590 19.166 ( 8.868 -5.002 -6.205) 11.923 19.310 ( -5.821 -4.359 -6.939) 10.051 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.00 0.44 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 -0.824 -2.382) 2.521 1.522 ( 0.000 -1.708 -1.449) 2.240 1.731 ( 0.000 4.221 1.919) 4.637 1.761 ( 0.000 0.302 -1.504) 1.534 1.830 ( 0.000 4.794 0.429) 4.813 1.877 ( 0.000 2.038 -4.686) 5.110 1.933 ( 0.000 3.819 -0.765) 3.895 1.978 ( 0.000 -1.638 -0.044) 1.639 1.997 ( 0.000 1.943 -3.074) 3.636 2.042 ( 0.000 -1.552 -2.974) 3.354 2.133 ( 0.000 4.930 -3.175) 5.864 2.172 ( 0.000 3.178 -2.297) 3.921 2.252 ( 0.000 -1.075 -3.403) 3.568 2.253 ( 0.000 -2.378 0.622) 2.458 2.310 ( 0.000 3.652 -1.703) 4.029 2.314 ( 0.000 3.928 -3.835) 5.490 2.354 ( 0.000 2.168 1.559) 2.671 2.360 ( 0.000 -0.667 -0.544) 0.861 2.447 ( 0.000 3.337 2.214) 4.005 2.464 ( 0.000 0.921 2.499) 2.663 2.479 ( 0.000 2.821 0.022) 2.821 2.559 ( 0.000 -3.076 -0.036) 3.077 2.599 ( 0.000 3.103 -1.314) 3.369 2.607 ( 0.000 1.044 -0.031) 1.044 2.665 ( 0.000 2.086 -3.449) 4.031 2.678 ( 0.000 2.138 -1.339) 2.523 2.717 ( 0.000 2.451 -0.458) 2.493 2.726 ( 0.000 0.639 -0.917) 1.118 2.834 ( 0.000 1.060 0.889) 1.384 2.874 ( 0.000 -0.514 -0.080) 0.520 2.942 ( 0.000 -2.827 -1.205) 3.073 2.987 ( 0.000 -1.129 1.300) 1.722 3.032 ( 0.000 -2.096 2.937) 3.608 3.072 ( 0.000 2.287 -0.346) 2.313 3.125 ( 0.000 -3.608 2.161) 4.206 3.139 ( 0.000 0.211 -0.527) 0.568 3.184 ( 0.000 -2.138 -1.238) 2.471 3.230 ( 0.000 2.199 -1.642) 2.744 3.261 ( 0.000 -0.469 -2.291) 2.339 3.275 ( 0.000 -4.721 -0.786) 4.786 3.341 ( 0.000 -4.285 0.032) 4.285 3.355 ( 0.000 -3.775 0.801) 3.859 3.446 ( 0.000 -1.764 1.186) 2.126 3.447 ( 0.000 -0.737 3.200) 3.284 3.493 ( 0.000 1.989 2.058) 2.862 3.541 ( 0.000 -1.596 3.076) 3.466 3.597 ( 0.000 1.046 -0.408) 1.122 3.631 ( 0.000 -1.942 -1.592) 2.511 3.659 ( 0.000 4.115 1.807) 4.494 3.735 ( 0.000 0.118 1.522) 1.527 3.745 ( 0.000 1.801 -0.824) 1.980 3.778 ( 0.000 -3.975 -1.998) 4.449 3.938 ( 0.000 5.122 -2.372) 5.644 3.966 ( 0.000 2.194 -6.332) 6.702 4.002 ( 0.000 4.614 -2.035) 5.043 4.028 ( 0.000 2.601 -0.869) 2.743 4.070 ( 0.000 4.431 -0.863) 4.514 4.132 ( 0.000 0.691 1.227) 1.408 4.186 ( 0.000 3.230 2.316) 3.975 4.210 ( 0.000 2.318 0.816) 2.457 4.247 ( 0.000 -1.790 -0.463) 1.849 4.267 ( 0.000 -1.343 2.077) 2.473 4.324 ( 0.000 3.535 2.147) 4.136 4.345 ( 0.000 1.134 2.533) 2.775 4.470 ( 0.000 0.770 -0.338) 0.841 4.477 ( 0.000 0.279 -0.801) 0.848 4.524 ( 0.000 0.539 0.097) 0.548 4.543 ( 0.000 -1.177 -0.524) 1.288 4.674 ( 0.000 0.454 0.985) 1.085 4.709 ( 0.000 1.150 1.841) 2.171 4.716 ( 0.000 -2.653 0.105) 2.655 4.740 ( 0.000 -1.084 0.590) 1.234 4.786 ( 0.000 2.047 4.743) 5.166 4.807 ( 0.000 -0.269 2.310) 2.326 4.888 ( 0.000 1.517 -0.104) 1.521 4.894 ( 0.000 1.135 -0.685) 1.326 4.995 ( 0.000 2.970 3.003) 4.224 5.044 ( 0.000 -1.027 -1.242) 1.612 5.063 ( 0.000 1.360 -0.456) 1.434 5.095 ( 0.000 -1.564 3.824) 4.131 5.461 ( 0.000 7.417 1.093) 7.497 5.491 ( 0.000 7.737 3.297) 8.410 5.549 ( 0.000 5.614 0.231) 5.619 5.579 ( 0.000 -0.817 -2.475) 2.606 5.601 ( 0.000 -1.287 1.726) 2.153 5.637 ( 0.000 -3.087 0.284) 3.100 5.708 ( 0.000 -0.722 1.380) 1.558 5.710 ( 0.000 -2.278 0.803) 2.416 5.760 ( 0.000 -0.339 0.318) 0.465 5.791 ( 0.000 -1.210 -1.116) 1.646 5.828 ( 0.000 2.116 -1.635) 2.674 5.900 ( 0.000 -5.028 -0.787) 5.089 5.939 ( 0.000 2.181 0.087) 2.183 5.998 ( 0.000 -3.350 -0.135) 3.353 6.054 ( 0.000 0.594 -0.158) 0.615 6.081 ( 0.000 2.813 -0.666) 2.891 6.124 ( 0.000 -2.734 0.030) 2.734 6.165 ( 0.000 -0.878 -1.697) 1.911 6.211 ( 0.000 0.760 -0.002) 0.760 6.217 ( 0.000 1.232 0.096) 1.236 6.312 ( 0.000 -1.235 -1.013) 1.597 6.345 ( 0.000 -4.658 -1.587) 4.921 6.402 ( 0.000 -1.764 -0.681) 1.891 6.490 ( 0.000 -6.948 -2.534) 7.395 6.512 ( 0.000 -0.185 0.338) 0.385 6.539 ( 0.000 -0.408 -0.006) 0.408 6.545 ( 0.000 -4.354 -0.634) 4.400 6.553 ( 0.000 -1.767 -0.144) 1.773 6.787 ( 0.000 0.158 0.506) 0.530 6.796 ( 0.000 -0.618 0.229) 0.659 6.858 ( 0.000 0.337 -1.049) 1.102 6.876 ( 0.000 -1.053 -1.161) 1.568 7.230 ( 0.000 1.230 -1.940) 2.297 7.241 ( 0.000 0.222 -2.539) 2.549 7.315 ( 0.000 0.723 0.628) 0.957 7.316 ( 0.000 0.847 0.707) 1.103 7.400 ( 0.000 1.625 0.268) 1.647 7.411 ( 0.000 0.113 0.214) 0.242 7.498 ( 0.000 1.692 -1.668) 2.376 7.518 ( 0.000 0.164 -1.971) 1.977 9.046 ( 0.000 1.013 -0.636) 1.196 9.059 ( 0.000 -0.077 -0.848) 0.851 9.105 ( 0.000 -1.500 -1.269) 1.965 9.109 ( 0.000 -1.211 -1.590) 1.999 9.128 ( 0.000 0.814 -2.500) 2.629 9.159 ( 0.000 -1.804 -3.175) 3.652 9.252 ( 0.000 0.810 1.552) 1.751 9.277 ( 0.000 -1.410 0.814) 1.628 9.418 ( 0.000 0.200 -2.432) 2.440 9.423 ( 0.000 -0.260 -3.090) 3.101 9.493 ( 0.000 0.704 0.193) 0.729 9.499 ( 0.000 -0.272 -0.355) 0.447 9.545 ( 0.000 0.385 -0.667) 0.771 9.559 ( 0.000 -0.856 -0.514) 0.998 9.601 ( 0.000 0.703 1.169) 1.364 9.616 ( 0.000 -0.299 1.702) 1.728 9.699 ( 0.000 -0.009 0.347) 0.347 9.725 ( 0.000 -2.251 -0.278) 2.268 9.801 ( 0.000 0.911 0.570) 1.075 9.817 ( 0.000 -0.037 0.320) 0.322 9.871 ( 0.000 1.131 0.615) 1.288 9.878 ( 0.000 0.395 -0.989) 1.065 9.946 ( 0.000 1.233 0.708) 1.422 9.963 ( 0.000 -0.390 2.589) 2.619 11.132 ( 0.000 1.866 0.365) 1.901 11.146 ( 0.000 1.504 0.839) 1.722 11.164 ( 0.000 0.800 4.008) 4.087 11.173 ( 0.000 -0.468 2.865) 2.903 11.202 ( 0.000 0.434 1.871) 1.920 11.213 ( 0.000 -0.308 2.078) 2.101 11.263 ( 0.000 2.256 2.085) 3.072 11.279 ( 0.000 0.331 -0.623) 0.705 11.342 ( 0.000 0.088 2.264) 2.266 11.344 ( 0.000 0.049 0.247) 0.252 11.383 ( 0.000 -0.031 -0.125) 0.128 11.396 ( 0.000 -0.637 -0.561) 0.848 11.418 ( 0.000 -0.478 -1.070) 1.172 11.429 ( 0.000 -1.525 -1.147) 1.908 11.508 ( 0.000 -0.010 1.382) 1.382 11.522 ( 0.000 -1.274 1.006) 1.624 11.611 ( 0.000 1.360 0.516) 1.455 11.628 ( 0.000 0.962 -1.002) 1.389 11.673 ( 0.000 0.763 0.305) 0.822 11.674 ( 0.000 0.868 0.424) 0.966 11.702 ( 0.000 -0.187 -0.810) 0.832 11.735 ( 0.000 -2.925 -1.046) 3.106 11.828 ( 0.000 1.022 -0.526) 1.149 11.857 ( 0.000 -1.443 -0.983) 1.746 11.861 ( 0.000 2.245 1.378) 2.634 11.903 ( 0.000 -1.162 0.231) 1.185 11.985 ( 0.000 1.239 1.507) 1.951 12.014 ( 0.000 -1.288 2.403) 2.727 12.047 ( 0.000 1.912 3.964) 4.401 12.090 ( 0.000 -1.206 3.691) 3.883 12.124 ( 0.000 2.279 1.974) 3.015 12.162 ( 0.000 -0.350 2.024) 2.054 12.320 ( 0.000 0.347 0.859) 0.926 12.323 ( 0.000 -0.050 -0.001) 0.050 12.665 ( 0.000 4.178 -0.337) 4.191 12.696 ( 0.000 2.932 -0.663) 3.006 12.720 ( 0.000 0.755 -0.666) 1.007 12.743 ( 0.000 0.239 -0.940) 0.970 12.983 ( 0.000 8.252 -1.557) 8.397 13.065 ( 0.000 0.364 -3.092) 3.114 15.930 ( 0.000 -0.106 0.460) 0.472 15.936 ( 0.000 -0.726 0.321) 0.794 15.958 ( 0.000 -0.067 -0.014) 0.069 15.961 ( 0.000 -0.231 -0.189) 0.299 15.972 ( 0.000 -0.273 -0.215) 0.347 15.977 ( 0.000 -0.698 -0.229) 0.734 15.981 ( 0.000 0.150 0.039) 0.156 15.990 ( 0.000 -0.702 -0.381) 0.798 16.800 ( 0.000 1.773 -1.286) 2.190 16.879 ( 0.000 -5.501 -2.698) 6.127 16.951 ( 0.000 3.956 0.567) 3.996 17.033 ( 0.000 0.362 -0.296) 0.467 17.073 ( 0.000 -0.428 0.220) 0.481 17.138 ( 0.000 -0.838 0.188) 0.859 17.171 ( 0.000 0.224 0.622) 0.661 17.181 ( 0.000 -2.698 0.450) 2.736 17.298 ( 0.000 2.086 -0.474) 2.139 17.348 ( 0.000 1.404 1.773) 2.262 17.365 ( 0.000 -4.278 -3.122) 5.296 17.442 ( 0.000 -7.530 -1.138) 7.615 17.493 ( 0.000 -4.959 -0.417) 4.977 17.512 ( 0.000 -6.906 -0.237) 6.910 17.766 ( 0.000 4.701 2.059) 5.132 17.959 ( 0.000 -12.592 -1.780) 12.717 18.157 ( 0.000 3.208 0.644) 3.272 18.175 ( 0.000 0.543 0.630) 0.832 18.601 ( 0.000 9.498 1.970) 9.700 18.732 ( 0.000 2.077 -1.228) 2.413 18.789 ( 0.000 -0.351 0.554) 0.656 18.895 ( 0.000 -5.343 -1.626) 5.585 19.093 ( 0.000 8.048 0.397) 8.058 19.252 ( 0.000 -6.787 -3.276) 7.536 ======================= Grid point 40 (20/30) ======================= q-point: ( 0.33 0.44 0.20) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.249 -0.497 -3.511) 3.555 1.590 ( 5.122 -1.039 -0.254) 5.232 1.681 ( -4.218 2.293 0.318) 4.811 1.728 ( -3.466 1.917 1.840) 4.367 1.819 ( 0.650 1.653 -2.964) 3.455 1.885 ( 0.229 2.810 -2.468) 3.747 1.913 ( -1.546 0.252 -1.097) 1.912 1.994 ( 1.070 -0.498 -1.700) 2.069 2.039 ( 0.890 4.834 -1.828) 5.244 2.060 ( 4.411 2.963 -2.889) 6.049 2.138 ( -0.467 1.445 -3.575) 3.884 2.163 ( -3.738 1.338 -3.244) 5.127 2.222 ( 1.465 3.613 -0.849) 3.990 2.245 ( -2.906 0.983 -3.318) 4.519 2.297 ( 3.090 1.885 -2.186) 4.229 2.347 ( 1.135 0.950 -0.383) 1.529 2.366 ( 1.235 2.479 2.321) 3.614 2.402 ( -0.181 0.408 0.151) 0.471 2.442 ( 1.144 0.281 -0.122) 1.184 2.472 ( -0.013 2.380 1.121) 2.631 2.484 ( 0.512 -1.271 2.472) 2.826 2.525 ( -1.702 -1.370 -0.344) 2.212 2.542 ( -3.020 1.245 -1.608) 3.640 2.637 ( -0.380 2.703 0.600) 2.794 2.653 ( 0.895 3.667 0.149) 3.777 2.675 ( -0.761 0.239 0.303) 0.853 2.716 ( 0.992 3.910 -3.927) 5.630 2.746 ( -0.286 0.378 -3.149) 3.184 2.848 ( 1.026 1.140 1.574) 2.198 2.867 ( -0.535 1.781 0.466) 1.917 2.940 ( 0.132 -3.194 0.644) 3.261 2.997 ( 0.606 -1.198 -1.273) 1.850 3.049 ( 1.565 -1.876 1.949) 3.125 3.070 ( -0.425 2.608 0.231) 2.652 3.121 ( 0.748 -2.737 -0.514) 2.884 3.135 ( -0.636 -1.995 -0.979) 2.312 3.199 ( -0.415 2.075 -0.286) 2.136 3.217 ( -2.609 -1.250 -2.017) 3.527 3.236 ( 2.208 -4.428 0.086) 4.949 3.299 ( -1.169 -5.004 -2.659) 5.786 3.342 ( 1.082 -1.655 0.849) 2.152 3.366 ( 1.188 -3.516 3.145) 4.864 3.372 ( -2.336 -2.929 -0.292) 3.758 3.432 ( -3.724 0.082 3.534) 5.134 3.466 ( -1.920 -0.479 1.231) 2.330 3.538 ( -0.702 2.686 2.098) 3.479 3.583 ( 1.412 -0.967 2.160) 2.755 3.681 ( 2.329 0.785 0.091) 2.460 3.696 ( 0.802 0.267 0.470) 0.967 3.720 ( 0.284 2.067 -1.217) 2.416 3.763 ( 0.712 0.097 -0.621) 0.950 3.784 ( 0.546 -0.986 -0.826) 1.398 3.925 ( -0.455 3.280 -5.023) 6.016 3.997 ( 1.618 4.876 -3.145) 6.023 4.014 ( -0.080 3.845 -1.705) 4.207 4.041 ( 2.778 2.108 -1.152) 3.673 4.078 ( 0.558 3.164 -0.152) 3.217 4.111 ( -2.181 1.360 -0.061) 2.571 4.153 ( -3.065 2.957 1.978) 4.695 4.214 ( 0.891 -0.133 0.889) 1.265 4.235 ( 0.005 0.961 1.008) 1.393 4.284 ( 0.961 -2.394 0.764) 2.691 4.327 ( -0.277 4.113 2.497) 4.819 4.354 ( 0.468 2.421 1.882) 3.102 4.452 ( -0.968 -0.235 -0.141) 1.006 4.491 ( 1.171 0.135 0.064) 1.180 4.514 ( -1.011 0.086 0.179) 1.031 4.529 ( -1.121 -1.192 -0.145) 1.643 4.660 ( -0.592 -0.116 -0.606) 0.855 4.709 ( 0.322 0.513 0.884) 1.072 4.736 ( 0.700 -1.180 0.763) 1.570 4.745 ( 0.152 0.432 2.836) 2.873 4.785 ( 0.211 -0.356 3.002) 3.030 4.815 ( 0.725 0.689 3.236) 3.387 4.861 ( -1.492 0.832 -0.430) 1.762 4.914 ( 0.820 1.957 -1.363) 2.521 4.990 ( -0.349 2.082 3.620) 4.191 5.047 ( 0.321 -0.135 -1.556) 1.595 5.057 ( -0.528 1.082 0.186) 1.218 5.098 ( 0.197 -1.447 3.559) 3.847 5.466 ( 0.541 7.491 1.385) 7.637 5.481 ( -0.880 7.442 2.854) 8.019 5.557 ( 0.498 5.580 -1.966) 5.937 5.585 ( 0.610 -0.902 -0.447) 1.177 5.596 ( -0.498 -1.405 1.353) 2.013 5.650 ( 1.297 -2.808 0.707) 3.173 5.684 ( -1.883 -0.568 0.711) 2.091 5.724 ( 0.934 -2.230 1.833) 3.034 5.756 ( -0.232 0.117 0.219) 0.339 5.776 ( -1.146 -0.440 -0.028) 1.228 5.846 ( 1.631 -0.979 -1.876) 2.671 5.885 ( -1.467 -3.199 -1.010) 3.661 5.966 ( 2.931 3.031 -0.373) 4.232 6.023 ( -1.150 0.437 -1.311) 1.798 6.048 ( 2.230 -1.293 -0.680) 2.666 6.082 ( -0.128 0.167 -1.604) 1.618 6.118 ( -1.257 -2.592 -0.111) 2.883 6.148 ( -0.937 -0.968 1.217) 1.815 6.207 ( 0.505 1.525 -1.097) 1.945 6.220 ( -0.495 -0.794 0.103) 0.942 6.279 ( -2.024 -3.132 -1.521) 4.027 6.346 ( -0.519 -0.424 0.777) 1.026 6.401 ( 0.990 -3.700 -1.575) 4.141 6.451 ( -2.615 -4.633 -1.316) 5.480 6.533 ( 0.529 -0.362 0.029) 0.642 6.543 ( 0.339 -0.407 0.178) 0.559 6.560 ( 2.190 -2.979 -0.964) 3.821 6.578 ( 0.588 -4.472 -1.135) 4.651 6.785 ( -0.139 -0.157 0.089) 0.228 6.798 ( 0.152 -0.464 0.540) 0.728 6.857 ( 0.042 -0.144 -1.268) 1.277 6.874 ( -0.277 -0.488 -0.956) 1.108 7.227 ( -0.189 1.391 -1.973) 2.421 7.246 ( 0.301 -0.194 -2.662) 2.686 7.303 ( -0.532 1.498 1.209) 1.997 7.322 ( 0.115 -0.117 0.508) 0.534 7.403 ( 0.218 1.234 -0.003) 1.253 7.413 ( 0.015 1.356 0.373) 1.407 7.502 ( 0.449 1.083 -1.760) 2.114 7.513 ( -0.546 0.392 -1.869) 1.986 9.044 ( 0.212 0.772 -1.701) 1.880 9.073 ( 1.347 -0.877 -1.971) 2.543 9.103 ( -1.370 0.598 -2.759) 3.138 9.126 ( -0.898 -1.290 -2.635) 3.068 9.141 ( 2.065 -0.409 0.004) 2.105 9.161 ( 3.664 -1.372 -0.070) 3.913 9.214 ( -3.508 0.455 1.126) 3.712 9.238 ( -3.902 -1.334 0.861) 4.213 9.415 ( -0.163 -0.014 -2.636) 2.642 9.432 ( 0.656 0.228 -2.995) 3.074 9.501 ( 0.427 0.913 0.392) 1.081 9.516 ( 1.416 -0.496 -0.480) 1.575 9.538 ( -0.912 0.194 -0.569) 1.092 9.555 ( 0.070 -0.756 -0.960) 1.224 9.572 ( -1.270 -0.659 0.759) 1.620 9.628 ( 0.071 0.373 0.505) 0.631 9.716 ( 1.344 0.663 1.946) 2.456 9.736 ( -0.164 -1.411 1.398) 1.993 9.806 ( 2.503 0.930 -0.653) 2.749 9.833 ( -0.255 -0.840 -0.565) 1.044 9.872 ( -1.308 1.061 -1.243) 2.093 9.879 ( 0.759 0.254 -0.853) 1.170 9.924 ( -0.493 2.022 2.723) 3.427 9.973 ( 0.131 -0.895 2.507) 2.665 11.134 ( 0.273 1.740 0.362) 1.799 11.146 ( -0.310 1.293 3.153) 3.422 11.173 ( 0.976 0.021 -0.099) 0.982 11.182 ( 0.632 0.444 4.492) 4.558 11.200 ( -0.447 0.467 2.257) 2.348 11.230 ( 1.557 -0.222 1.815) 2.401 11.259 ( 0.147 1.796 2.201) 2.845 11.279 ( 0.089 0.087 -0.115) 0.169 11.314 ( -2.969 -0.319 1.113) 3.186 11.335 ( -0.581 -1.560 -0.507) 1.740 11.365 ( -0.565 1.603 1.125) 2.038 11.394 ( -0.482 -0.366 -0.292) 0.672 11.424 ( 1.032 0.011 -0.838) 1.329 11.447 ( 0.802 -0.528 -0.603) 1.134 11.471 ( -2.458 -0.644 0.233) 2.552 11.483 ( -2.507 -1.075 0.719) 2.821 11.610 ( 0.974 0.342 -0.569) 1.179 11.654 ( -0.803 1.096 0.198) 1.373 11.659 ( 1.411 0.847 -0.569) 1.741 11.684 ( -0.762 0.296 -0.610) 1.020 11.738 ( 2.707 0.392 0.767) 2.841 11.763 ( 2.475 -1.148 0.674) 2.811 11.826 ( -0.980 -1.660 -0.016) 1.927 11.842 ( -0.138 1.144 0.735) 1.367 11.858 ( -0.802 -0.538 -0.377) 1.037 11.918 ( 0.784 -0.154 -0.472) 0.928 11.941 ( -2.309 0.461 2.116) 3.166 12.033 ( 1.235 0.501 1.931) 2.346 12.050 ( 0.073 1.015 1.012) 1.435 12.096 ( -0.139 -0.540 2.210) 2.279 12.124 ( 0.107 2.845 5.183) 5.913 12.182 ( 1.113 -1.464 4.032) 4.431 12.362 ( 5.434 1.074 -0.701) 5.583 12.383 ( 5.913 0.198 -0.549) 5.942 12.513 ( -9.146 2.457 -0.417) 9.479 12.543 ( -9.570 -0.490 -0.634) 9.603 12.834 ( 6.882 5.866 -0.208) 9.046 12.887 ( 5.377 1.167 -0.935) 5.581 12.959 ( -1.159 6.486 -1.796) 6.829 13.026 ( -4.246 0.529 -2.756) 5.089 15.933 ( 0.341 -0.096 0.389) 0.526 15.938 ( -0.009 -0.452 0.282) 0.533 15.953 ( -0.175 -0.367 0.069) 0.412 15.959 ( -0.329 -0.599 -0.030) 0.683 15.973 ( 0.126 0.062 -0.280) 0.313 15.978 ( 0.047 -0.124 -0.120) 0.179 15.982 ( 0.082 -0.486 -0.333) 0.594 15.989 ( -0.079 -0.619 -0.222) 0.662 16.828 ( 2.854 2.714 -1.307) 4.149 16.907 ( -2.748 2.515 -0.663) 3.783 16.931 ( 3.903 -4.782 -2.856) 6.801 17.029 ( -1.706 -4.203 -2.553) 5.206 17.064 ( -0.723 0.205 1.164) 1.385 17.095 ( -3.022 1.482 1.321) 3.616 17.122 ( -2.088 -2.135 -0.203) 2.993 17.189 ( -0.863 -3.852 0.991) 4.070 17.304 ( 1.377 3.305 -0.215) 3.587 17.327 ( -0.558 3.428 -0.351) 3.491 17.376 ( 0.245 -0.557 -2.255) 2.335 17.435 ( -1.473 -4.548 -0.771) 4.843 17.515 ( 3.207 -10.186 1.087) 10.734 17.619 ( 7.174 -4.989 2.856) 9.193 17.744 ( -1.777 -0.257 0.905) 2.011 17.850 ( -7.617 -7.093 0.080) 10.408 18.205 ( 4.330 4.199 -0.499) 6.052 18.301 ( 8.652 -0.383 0.858) 8.703 18.481 ( -7.478 4.017 -1.349) 8.595 18.615 ( -8.694 -3.598 -1.328) 9.503 18.882 ( 8.389 8.641 1.221) 12.105 19.017 ( 0.894 3.918 0.257) 4.026 19.066 ( 3.218 -1.470 -1.281) 3.763 19.199 ( -5.555 -6.647 -2.654) 9.060 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.00 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 0.000 24.006) 24.006 1.055 ( 0.000 0.000 24.883) 24.883 1.464 ( 0.000 0.000 -5.989) 5.989 1.497 ( 0.000 0.000 -4.608) 4.608 1.523 ( 0.000 0.000 8.603) 8.603 1.560 ( 0.000 0.000 2.556) 2.556 1.576 ( 0.000 0.000 -4.289) 4.289 1.594 ( 0.000 0.000 13.267) 13.267 1.717 ( 0.000 0.000 20.186) 20.186 1.720 ( 0.000 0.000 -5.752) 5.752 1.757 ( 0.000 0.000 -6.841) 6.841 1.796 ( 0.000 0.000 -9.779) 9.779 1.879 ( 0.000 0.000 -11.005) 11.005 1.986 ( 0.000 0.000 -3.508) 3.508 2.003 ( 0.000 0.000 -3.061) 3.061 2.011 ( 0.000 0.000 6.066) 6.066 2.077 ( 0.000 0.000 2.882) 2.882 2.082 ( 0.000 0.000 -9.618) 9.618 2.194 ( 0.000 0.000 -8.331) 8.331 2.194 ( 0.000 0.000 -6.112) 6.112 2.239 ( 0.000 0.000 3.872) 3.872 2.314 ( 0.000 0.000 3.671) 3.671 2.359 ( 0.000 0.000 -1.335) 1.335 2.365 ( 0.000 0.000 -7.569) 7.569 2.429 ( 0.000 0.000 9.410) 9.410 2.450 ( 0.000 0.000 2.221) 2.221 2.508 ( 0.000 0.000 -2.515) 2.515 2.589 ( 0.000 0.000 3.861) 3.861 2.707 ( 0.000 0.000 -1.208) 1.208 2.748 ( 0.000 0.000 -8.029) 8.029 2.750 ( 0.000 0.000 3.159) 3.159 2.794 ( 0.000 0.000 0.209) 0.209 2.873 ( 0.000 0.000 2.045) 2.045 2.878 ( 0.000 0.000 -1.438) 1.438 2.895 ( 0.000 0.000 -0.115) 0.115 2.930 ( 0.000 0.000 -4.211) 4.211 3.012 ( 0.000 0.000 2.441) 2.441 3.028 ( 0.000 0.000 1.233) 1.233 3.097 ( 0.000 0.000 2.380) 2.380 3.156 ( 0.000 0.000 -2.602) 2.602 3.194 ( 0.000 0.000 3.596) 3.596 3.223 ( 0.000 0.000 -0.262) 0.262 3.235 ( 0.000 0.000 -3.192) 3.192 3.316 ( 0.000 0.000 -7.485) 7.485 3.416 ( 0.000 0.000 -3.026) 3.026 3.437 ( 0.000 0.000 -2.438) 2.438 3.444 ( 0.000 0.000 0.836) 0.836 3.448 ( 0.000 0.000 0.178) 0.178 3.728 ( 0.000 0.000 0.843) 0.843 3.745 ( 0.000 0.000 4.005) 4.005 3.766 ( 0.000 0.000 -2.610) 2.610 3.775 ( 0.000 0.000 0.145) 0.145 3.888 ( 0.000 0.000 -1.258) 1.258 3.890 ( 0.000 0.000 2.972) 2.972 3.910 ( 0.000 0.000 -1.702) 1.702 3.936 ( 0.000 0.000 -1.849) 1.849 4.085 ( 0.000 0.000 5.368) 5.368 4.151 ( 0.000 0.000 3.059) 3.059 4.189 ( 0.000 0.000 -0.058) 0.058 4.205 ( 0.000 0.000 -5.284) 5.284 4.265 ( 0.000 0.000 5.744) 5.744 4.306 ( 0.000 0.000 -2.917) 2.917 4.322 ( 0.000 0.000 -4.080) 4.080 4.352 ( 0.000 0.000 -2.058) 2.058 4.418 ( 0.000 0.000 2.281) 2.281 4.431 ( 0.000 0.000 0.115) 0.115 4.570 ( 0.000 0.000 1.792) 1.792 4.571 ( 0.000 0.000 2.368) 2.368 4.582 ( 0.000 0.000 2.035) 2.035 4.664 ( 0.000 0.000 -6.357) 6.357 4.702 ( 0.000 0.000 3.348) 3.348 4.729 ( 0.000 0.000 1.483) 1.483 4.852 ( 0.000 0.000 -1.621) 1.621 4.910 ( 0.000 0.000 -6.162) 6.162 4.912 ( 0.000 0.000 -0.205) 0.205 4.919 ( 0.000 0.000 -0.675) 0.675 4.962 ( 0.000 0.000 0.735) 0.735 5.042 ( 0.000 0.000 -5.999) 5.999 5.064 ( 0.000 0.000 -0.652) 0.652 5.084 ( 0.000 0.000 -2.756) 2.756 5.421 ( 0.000 0.000 2.461) 2.461 5.431 ( 0.000 0.000 1.780) 1.780 5.499 ( 0.000 0.000 3.531) 3.531 5.518 ( 0.000 0.000 1.944) 1.944 5.794 ( 0.000 0.000 8.292) 8.292 5.823 ( 0.000 0.000 1.244) 1.244 5.837 ( 0.000 0.000 0.237) 0.237 5.912 ( 0.000 0.000 -3.821) 3.821 6.010 ( 0.000 0.000 3.134) 3.134 6.023 ( 0.000 0.000 2.437) 2.437 6.038 ( 0.000 0.000 -0.365) 0.365 6.050 ( 0.000 0.000 2.695) 2.695 6.053 ( 0.000 0.000 2.240) 2.240 6.122 ( 0.000 0.000 -0.930) 0.930 6.135 ( 0.000 0.000 -4.445) 4.445 6.177 ( 0.000 0.000 -4.009) 4.009 6.376 ( 0.000 0.000 0.763) 0.763 6.383 ( 0.000 0.000 1.707) 1.707 6.386 ( 0.000 0.000 -0.386) 0.386 6.396 ( 0.000 0.000 0.431) 0.431 6.463 ( 0.000 0.000 1.149) 1.149 6.487 ( 0.000 0.000 -1.442) 1.442 6.526 ( 0.000 0.000 1.902) 1.902 6.558 ( 0.000 0.000 -1.192) 1.192 6.641 ( 0.000 0.000 1.256) 1.256 6.705 ( 0.000 0.000 -1.554) 1.554 6.716 ( 0.000 0.000 -2.969) 2.969 6.733 ( 0.000 0.000 -6.998) 6.998 6.805 ( 0.000 0.000 0.864) 0.864 6.817 ( 0.000 0.000 -0.280) 0.280 6.854 ( 0.000 0.000 1.979) 1.979 6.894 ( 0.000 0.000 -1.670) 1.670 6.942 ( 0.000 0.000 2.649) 2.649 6.995 ( 0.000 0.000 -0.622) 0.622 6.996 ( 0.000 0.000 -2.367) 2.367 7.013 ( 0.000 0.000 -1.652) 1.652 7.102 ( 0.000 0.000 1.516) 1.516 7.135 ( 0.000 0.000 -1.802) 1.802 7.154 ( 0.000 0.000 0.116) 0.116 7.173 ( 0.000 0.000 -1.435) 1.435 9.053 ( 0.000 0.000 2.518) 2.518 9.092 ( 0.000 0.000 -1.292) 1.292 9.095 ( 0.000 0.000 4.202) 4.202 9.128 ( 0.000 0.000 0.686) 0.686 9.159 ( 0.000 0.000 2.009) 2.009 9.179 ( 0.000 0.000 3.068) 3.068 9.229 ( 0.000 0.000 0.796) 0.796 9.264 ( 0.000 0.000 -7.829) 7.829 9.295 ( 0.000 0.000 -5.509) 5.509 9.296 ( 0.000 0.000 -2.347) 2.347 9.313 ( 0.000 0.000 0.490) 0.490 9.350 ( 0.000 0.000 -3.103) 3.103 9.440 ( 0.000 0.000 0.797) 0.797 9.494 ( 0.000 0.000 -3.464) 3.464 9.545 ( 0.000 0.000 0.904) 0.904 9.561 ( 0.000 0.000 -0.685) 0.685 9.958 ( 0.000 0.000 1.259) 1.259 9.964 ( 0.000 0.000 1.052) 1.052 9.973 ( 0.000 0.000 -0.293) 0.293 9.975 ( 0.000 0.000 0.066) 0.066 10.035 ( 0.000 0.000 0.174) 0.174 10.043 ( 0.000 0.000 -0.535) 0.535 10.067 ( 0.000 0.000 0.750) 0.750 10.070 ( 0.000 0.000 0.749) 0.749 11.000 ( 0.000 0.000 1.217) 1.217 11.023 ( 0.000 0.000 -0.916) 0.916 11.051 ( 0.000 0.000 0.134) 0.134 11.055 ( 0.000 0.000 -0.323) 0.323 11.204 ( 0.000 0.000 3.388) 3.388 11.241 ( 0.000 0.000 3.008) 3.008 11.247 ( 0.000 0.000 -1.235) 1.235 11.291 ( 0.000 0.000 0.373) 0.373 11.298 ( 0.000 0.000 -0.109) 0.109 11.302 ( 0.000 0.000 -2.519) 2.519 11.389 ( 0.000 0.000 2.422) 2.422 11.407 ( 0.000 0.000 1.491) 1.491 11.462 ( 0.000 0.000 0.971) 0.971 11.463 ( 0.000 0.000 1.019) 1.019 11.463 ( 0.000 0.000 0.554) 0.554 11.490 ( 0.000 0.000 -1.443) 1.443 11.585 ( 0.000 0.000 1.273) 1.273 11.610 ( 0.000 0.000 -0.966) 0.966 11.618 ( 0.000 0.000 1.405) 1.405 11.625 ( 0.000 0.000 0.470) 0.470 11.712 ( 0.000 0.000 -0.979) 0.979 11.713 ( 0.000 0.000 -0.488) 0.488 11.715 ( 0.000 0.000 -0.393) 0.393 11.718 ( 0.000 0.000 -1.333) 1.333 11.904 ( 0.000 0.000 2.555) 2.555 11.938 ( 0.000 0.000 1.703) 1.703 11.942 ( 0.000 0.000 1.809) 1.809 11.970 ( 0.000 0.000 -3.275) 3.275 11.999 ( 0.000 0.000 0.846) 0.846 12.005 ( 0.000 0.000 -0.094) 0.094 12.063 ( 0.000 0.000 0.157) 0.157 12.074 ( 0.000 0.000 -0.601) 0.601 12.229 ( 0.000 0.000 1.351) 1.351 12.246 ( 0.000 0.000 -0.003) 0.003 12.305 ( 0.000 0.000 4.079) 4.079 12.323 ( 0.000 0.000 2.291) 2.291 12.423 ( 0.000 0.000 8.808) 8.808 12.593 ( 0.000 0.000 -1.752) 1.752 12.600 ( 0.000 0.000 -2.406) 2.406 12.620 ( 0.000 0.000 -10.143) 10.143 15.984 ( 0.000 0.000 0.441) 0.441 15.988 ( 0.000 0.000 0.061) 0.061 15.996 ( 0.000 0.000 -0.034) 0.034 15.998 ( 0.000 0.000 -0.218) 0.218 16.057 ( 0.000 0.000 0.521) 0.521 16.061 ( 0.000 0.000 0.129) 0.129 16.080 ( 0.000 0.000 0.204) 0.204 16.081 ( 0.000 0.000 0.095) 0.095 16.971 ( 0.000 0.000 0.180) 0.180 16.978 ( 0.000 0.000 -0.312) 0.312 17.073 ( 0.000 0.000 3.220) 3.220 17.074 ( 0.000 0.000 2.525) 2.525 17.191 ( 0.000 0.000 7.839) 7.839 17.197 ( 0.000 0.000 4.916) 4.916 17.245 ( 0.000 0.000 2.361) 2.361 17.303 ( 0.000 0.000 -1.531) 1.531 17.320 ( 0.000 0.000 5.502) 5.502 17.333 ( 0.000 0.000 1.123) 1.123 17.402 ( 0.000 0.000 -6.442) 6.442 17.436 ( 0.000 0.000 -4.464) 4.464 17.508 ( 0.000 0.000 -0.680) 0.680 17.534 ( 0.000 0.000 -2.725) 2.725 17.634 ( 0.000 0.000 -0.597) 0.597 17.634 ( 0.000 0.000 -0.796) 0.796 18.612 ( 0.000 0.000 24.747) 24.747 18.712 ( 0.000 0.000 7.771) 7.771 18.725 ( 0.000 0.000 7.385) 7.385 19.016 ( 0.000 0.000 -6.476) 6.476 19.221 ( 0.000 0.000 -12.911) 12.911 19.238 ( 0.000 0.000 -11.448) 11.448 19.245 ( 0.000 0.000 -14.405) 14.405 19.261 ( 0.000 0.000 -5.870) 5.870 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.33 0.00 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.296 0.000 22.994) 23.596 1.130 ( 7.515 0.000 21.686) 22.951 1.272 ( -11.217 0.000 16.052) 19.583 1.342 ( -12.758 0.000 16.804) 21.099 1.542 ( 2.386 0.000 -16.904) 17.072 1.561 ( 3.332 0.000 -17.604) 17.917 1.622 ( -2.749 0.000 -14.784) 15.037 1.695 ( -1.639 0.000 -6.025) 6.244 1.718 ( 2.769 0.000 1.403) 3.104 1.756 ( 8.876 0.000 5.379) 10.379 1.825 ( 0.400 0.000 2.256) 2.291 1.842 ( 4.491 0.000 4.177) 6.133 1.889 ( 1.174 0.000 8.814) 8.892 1.942 ( -2.716 0.000 -1.602) 3.153 1.991 ( -0.651 0.000 3.492) 3.552 1.996 ( -2.007 0.000 0.400) 2.047 2.113 ( 0.572 0.000 -5.755) 5.784 2.132 ( 1.511 0.000 0.900) 1.758 2.180 ( 1.472 0.000 -3.162) 3.488 2.195 ( 1.737 0.000 -1.975) 2.630 2.307 ( 5.706 0.000 -2.851) 6.378 2.316 ( 0.004 0.000 4.455) 4.455 2.359 ( -0.522 0.000 -7.343) 7.361 2.363 ( 1.736 0.000 -2.627) 3.149 2.413 ( -1.285 0.000 -0.858) 1.545 2.452 ( -2.976 0.000 6.828) 7.449 2.485 ( -1.813 0.000 -4.255) 4.625 2.559 ( 0.910 0.000 7.972) 8.024 2.594 ( -8.751 0.000 -4.172) 9.695 2.688 ( -7.123 0.000 6.629) 9.730 2.770 ( 2.508 0.000 -4.379) 5.046 2.781 ( 0.895 0.000 -0.302) 0.944 2.842 ( -1.927 0.000 1.225) 2.283 2.845 ( -2.622 0.000 1.374) 2.960 2.905 ( -1.913 0.000 -7.436) 7.678 2.918 ( -0.778 0.000 -2.496) 2.615 2.979 ( 4.540 0.000 2.370) 5.121 3.058 ( 1.856 0.000 -6.085) 6.362 3.087 ( -3.694 0.000 0.515) 3.730 3.113 ( -4.574 0.000 -0.990) 4.680 3.255 ( 4.442 0.000 0.172) 4.445 3.261 ( 3.973 0.000 2.177) 4.530 3.296 ( 3.343 0.000 -3.753) 5.025 3.338 ( -0.482 0.000 -3.762) 3.793 3.400 ( -0.455 0.000 1.625) 1.687 3.416 ( -1.686 0.000 1.158) 2.045 3.456 ( 0.960 0.000 -3.220) 3.360 3.466 ( 1.015 0.000 -4.718) 4.826 3.735 ( 1.157 0.000 1.664) 2.027 3.745 ( 0.154 0.000 3.749) 3.752 3.768 ( 0.719 0.000 -1.154) 1.359 3.786 ( -0.177 0.000 0.252) 0.308 3.903 ( 1.929 0.000 0.476) 1.987 3.919 ( 1.187 0.000 2.289) 2.578 3.944 ( 3.513 0.000 -1.037) 3.662 3.980 ( 3.181 0.000 -3.654) 4.844 4.051 ( -2.862 0.000 6.009) 6.656 4.090 ( -4.579 0.000 3.715) 5.897 4.171 ( -1.660 0.000 -4.000) 4.331 4.187 ( -2.056 0.000 -3.841) 4.357 4.282 ( 1.809 0.000 4.073) 4.456 4.291 ( 0.667 0.000 2.270) 2.366 4.360 ( 0.769 0.000 -2.701) 2.809 4.362 ( 1.305 0.000 -3.579) 3.809 4.454 ( 1.635 0.000 4.209) 4.515 4.502 ( -4.656 0.000 3.138) 5.615 4.521 ( 6.336 0.000 -1.496) 6.510 4.564 ( -0.841 0.000 -2.850) 2.971 4.596 ( 5.140 0.000 -0.098) 5.141 4.652 ( 0.356 0.000 -5.575) 5.587 4.685 ( -3.613 0.000 3.417) 4.973 4.756 ( -5.342 0.000 -3.654) 6.472 4.811 ( 2.865 0.000 3.602) 4.603 4.883 ( -3.161 0.000 1.909) 3.693 4.915 ( 1.282 0.000 -6.637) 6.760 4.932 ( 0.552 0.000 -2.503) 2.563 4.973 ( 0.976 0.000 1.517) 1.804 5.014 ( -3.940 0.000 0.551) 3.978 5.046 ( 0.408 0.000 -5.271) 5.287 5.064 ( -1.618 0.000 -4.146) 4.451 5.453 ( 1.919 0.000 2.994) 3.556 5.467 ( 3.790 0.000 1.270) 3.997 5.482 ( -1.277 0.000 4.363) 4.546 5.517 ( -1.215 0.000 0.697) 1.401 5.788 ( -0.436 0.000 7.463) 7.476 5.793 ( -1.327 0.000 4.644) 4.830 5.868 ( 2.006 0.000 -2.418) 3.142 5.900 ( -1.312 0.000 -3.657) 3.885 6.015 ( 0.259 0.000 1.701) 1.720 6.019 ( -0.272 0.000 1.764) 1.785 6.032 ( 0.097 0.000 0.718) 0.724 6.044 ( -0.884 0.000 1.383) 1.641 6.062 ( 1.244 0.000 2.899) 3.154 6.095 ( -2.254 0.000 1.407) 2.656 6.151 ( 1.341 0.000 -4.500) 4.695 6.172 ( -0.773 0.000 -4.327) 4.395 6.377 ( 0.156 0.000 0.977) 0.990 6.381 ( -0.260 0.000 1.365) 1.389 6.394 ( 0.575 0.000 -0.826) 1.007 6.400 ( 0.064 0.000 -0.557) 0.560 6.491 ( 3.093 0.000 1.917) 3.639 6.519 ( 2.933 0.000 -0.978) 3.091 6.535 ( -0.005 0.000 2.634) 2.634 6.570 ( -0.906 0.000 -1.348) 1.625 6.596 ( -1.292 0.000 2.154) 2.511 6.646 ( -4.151 0.000 0.692) 4.208 6.706 ( -0.908 0.000 -6.853) 6.913 6.719 ( -1.198 0.000 -5.664) 5.789 6.826 ( 1.845 0.000 1.685) 2.498 6.849 ( -0.665 0.000 2.122) 2.224 6.865 ( 2.874 0.000 -2.138) 3.582 6.893 ( -0.380 0.000 -1.979) 2.016 6.955 ( 1.425 0.000 2.149) 2.579 6.986 ( -1.488 0.000 0.284) 1.515 7.004 ( 0.737 0.000 -2.246) 2.363 7.011 ( 0.073 0.000 -1.536) 1.537 7.112 ( 1.003 0.000 0.791) 1.278 7.137 ( -1.605 0.000 0.432) 1.662 7.137 ( 0.599 0.000 -1.597) 1.706 7.159 ( -1.406 0.000 -1.501) 2.057 9.064 ( 1.122 0.000 2.645) 2.873 9.086 ( -1.034 0.000 3.341) 3.497 9.100 ( 0.762 0.000 -0.202) 0.788 9.115 ( -0.914 0.000 1.558) 1.806 9.161 ( 0.016 0.000 0.813) 0.813 9.165 ( -0.699 0.000 1.985) 2.105 9.255 ( 1.217 0.000 -3.393) 3.605 9.260 ( -0.276 0.000 -7.236) 7.241 9.273 ( 0.149 0.000 0.037) 0.153 9.297 ( -1.421 0.000 1.895) 2.369 9.333 ( 1.936 0.000 -3.812) 4.276 9.354 ( -0.204 0.000 -3.518) 3.524 9.456 ( 1.918 0.000 0.722) 2.050 9.498 ( 0.616 0.000 -2.811) 2.878 9.508 ( -3.414 0.000 0.592) 3.464 9.526 ( -2.573 0.000 -1.063) 2.784 9.961 ( 0.175 0.000 1.115) 1.129 9.963 ( -0.086 0.000 0.995) 0.999 9.974 ( 0.064 0.000 -0.248) 0.256 9.975 ( -0.060 0.000 -0.138) 0.150 10.039 ( 0.655 0.000 0.854) 1.076 10.055 ( 0.888 0.000 -0.522) 1.030 10.055 ( -0.972 0.000 1.144) 1.501 10.068 ( -0.444 0.000 0.036) 0.446 10.994 ( -0.167 0.000 1.340) 1.351 11.010 ( -2.162 0.000 1.030) 2.394 11.023 ( 0.022 0.000 -1.391) 1.391 11.033 ( -1.418 0.000 -1.265) 1.900 11.231 ( 2.024 0.000 4.169) 4.634 11.267 ( -1.729 0.000 2.906) 3.382 11.271 ( 3.574 0.000 1.365) 3.826 11.311 ( 1.864 0.000 -0.927) 2.082 11.313 ( -0.103 0.000 -1.419) 1.423 11.337 ( 4.343 0.000 -2.221) 4.878 11.344 ( -2.853 0.000 2.506) 3.797 11.395 ( -2.224 0.000 -1.878) 2.911 11.454 ( -0.071 0.000 2.172) 2.173 11.459 ( -0.161 0.000 2.661) 2.666 11.474 ( 0.897 0.000 -0.080) 0.901 11.493 ( -0.686 0.000 -0.761) 1.025 11.606 ( 1.494 0.000 0.931) 1.760 11.608 ( 0.382 0.000 1.554) 1.600 11.621 ( 0.853 0.000 -0.370) 0.930 11.645 ( -0.711 0.000 -1.683) 1.827 11.699 ( 1.250 0.000 1.857) 2.238 11.713 ( 0.340 0.000 0.613) 0.701 11.742 ( 1.719 0.000 -1.954) 2.602 11.748 ( 1.128 0.000 -2.755) 2.977 11.890 ( -0.682 0.000 1.840) 1.962 11.900 ( -1.703 0.000 2.272) 2.840 11.925 ( -2.863 0.000 -1.158) 3.088 11.927 ( -2.669 0.000 -0.361) 2.693 12.005 ( 2.564 0.000 2.972) 3.926 12.047 ( -1.763 0.000 1.305) 2.193 12.051 ( 2.208 0.000 -1.331) 2.578 12.076 ( -0.520 0.000 -1.396) 1.490 12.250 ( 2.128 0.000 3.186) 3.831 12.287 ( -1.683 0.000 4.332) 4.648 12.289 ( 3.096 0.000 -0.423) 3.125 12.322 ( -0.596 0.000 1.223) 1.361 12.450 ( 3.098 0.000 6.767) 7.442 12.527 ( -4.776 0.000 2.222) 5.268 12.619 ( 0.012 0.000 -9.181) 9.181 12.620 ( 0.262 0.000 -6.216) 6.222 15.985 ( 0.181 0.000 0.483) 0.516 15.990 ( -0.401 0.000 0.315) 0.510 15.992 ( 0.386 0.000 -0.195) 0.433 15.998 ( -0.180 0.000 -0.443) 0.478 16.061 ( 0.436 0.000 0.503) 0.665 16.064 ( 0.530 0.000 0.181) 0.560 16.072 ( -0.705 0.000 0.403) 0.812 16.076 ( -0.599 0.000 0.043) 0.600 16.970 ( 0.875 0.000 1.890) 2.083 17.001 ( 1.989 0.000 -1.327) 2.391 17.011 ( -3.571 0.000 3.403) 4.933 17.051 ( -3.305 0.000 -0.491) 3.341 17.189 ( 0.141 0.000 7.191) 7.192 17.189 ( 0.005 0.000 7.688) 7.688 17.283 ( 0.950 0.000 -0.682) 1.170 17.292 ( -0.559 0.000 -0.755) 0.939 17.347 ( 3.109 0.000 5.208) 6.066 17.364 ( 1.781 0.000 0.686) 1.909 17.411 ( 0.890 0.000 -4.520) 4.607 17.434 ( -0.990 0.000 -3.042) 3.199 17.525 ( 1.944 0.000 0.044) 1.944 17.568 ( 3.507 0.000 -3.901) 5.246 17.585 ( -4.120 0.000 1.305) 4.322 17.623 ( -2.009 0.000 -2.809) 3.453 18.613 ( 0.421 0.000 22.760) 22.764 18.640 ( -2.843 0.000 16.145) 16.393 18.839 ( 7.274 0.000 1.067) 7.351 18.961 ( -5.647 0.000 -3.539) 6.664 19.214 ( -0.341 0.000 -11.855) 11.860 19.218 ( -0.961 0.000 -10.214) 10.259 19.257 ( 0.900 0.000 -14.211) 14.239 19.268 ( -0.107 0.000 -11.300) 11.300 ======================= Grid point 57 (23/30) ======================= q-point: ( 0.00 0.11 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 9.043 21.777) 23.580 1.196 ( 0.000 11.178 20.450) 23.305 1.545 ( 0.000 5.893 3.409) 6.809 1.557 ( 0.000 4.622 0.724) 4.679 1.587 ( 0.000 5.517 -10.225) 11.618 1.614 ( 0.000 4.204 -5.628) 7.024 1.673 ( 0.000 5.835 2.446) 6.327 1.697 ( 0.000 8.327 10.081) 13.075 1.766 ( 0.000 3.071 -4.243) 5.238 1.789 ( 0.000 6.529 -1.566) 6.714 1.843 ( 0.000 8.914 5.272) 10.357 1.888 ( 0.000 5.280 -2.574) 5.874 1.952 ( 0.000 6.074 -7.484) 9.638 1.969 ( 0.000 -0.570 -3.252) 3.302 2.010 ( 0.000 1.729 -2.601) 3.123 2.055 ( 0.000 3.647 -0.506) 3.682 2.113 ( 0.000 4.721 1.107) 4.849 2.150 ( 0.000 0.259 -4.752) 4.759 2.191 ( 0.000 7.694 -3.336) 8.386 2.234 ( 0.000 0.911 2.991) 3.126 2.285 ( 0.000 5.007 -7.370) 8.910 2.315 ( 0.000 0.049 -1.506) 1.507 2.369 ( 0.000 3.570 3.372) 4.911 2.407 ( 0.000 2.063 -0.136) 2.067 2.465 ( 0.000 3.888 2.123) 4.430 2.484 ( 0.000 3.953 1.337) 4.173 2.567 ( 0.000 3.888 -0.209) 3.894 2.598 ( 0.000 0.834 3.227) 3.333 2.724 ( 0.000 2.130 -0.916) 2.319 2.745 ( 0.000 1.841 -1.870) 2.624 2.808 ( 0.000 4.959 0.446) 4.979 2.823 ( 0.000 1.309 -1.238) 1.801 2.895 ( 0.000 4.381 0.704) 4.437 2.916 ( 0.000 3.442 -1.235) 3.657 2.989 ( 0.000 6.307 -0.759) 6.353 2.998 ( 0.000 4.990 -0.639) 5.031 3.050 ( 0.000 4.750 3.007) 5.622 3.078 ( 0.000 4.875 0.861) 4.951 3.115 ( 0.000 2.393 1.548) 2.850 3.148 ( 0.000 1.850 -1.393) 2.316 3.246 ( 0.000 3.363 -4.084) 5.290 3.248 ( 0.000 2.721 -1.759) 3.240 3.305 ( 0.000 2.991 -0.819) 3.101 3.312 ( 0.000 -2.048 -1.873) 2.775 3.356 ( 0.000 2.305 -1.964) 3.028 3.383 ( 0.000 3.021 -3.024) 4.274 3.552 ( 0.000 3.570 -0.017) 3.570 3.569 ( 0.000 3.686 -1.252) 3.893 3.694 ( 0.000 -1.553 1.621) 2.245 3.731 ( 0.000 -1.359 -2.488) 2.835 3.773 ( 0.000 1.138 3.186) 3.383 3.801 ( 0.000 0.425 0.190) 0.465 3.848 ( 0.000 -2.512 0.841) 2.649 3.889 ( 0.000 -1.332 -1.634) 2.108 3.921 ( 0.000 1.443 0.663) 1.588 3.945 ( 0.000 0.484 -1.594) 1.666 4.029 ( 0.000 -4.258 5.343) 6.832 4.106 ( 0.000 -6.111 -1.446) 6.280 4.143 ( 0.000 -2.852 0.609) 2.916 4.150 ( 0.000 -3.343 2.250) 4.030 4.252 ( 0.000 -2.018 -0.332) 2.046 4.296 ( 0.000 0.177 -4.410) 4.414 4.314 ( 0.000 0.888 1.195) 1.489 4.374 ( 0.000 0.964 -2.713) 2.880 4.465 ( 0.000 2.822 1.921) 3.414 4.468 ( 0.000 2.266 0.716) 2.377 4.552 ( 0.000 -0.537 3.213) 3.257 4.586 ( 0.000 -0.176 3.887) 3.891 4.624 ( 0.000 3.320 -0.283) 3.332 4.647 ( 0.000 -1.118 -4.546) 4.682 4.702 ( 0.000 0.257 -0.438) 0.508 4.706 ( 0.000 -1.821 0.606) 1.919 4.851 ( 0.000 -0.646 -0.999) 1.190 4.855 ( 0.000 -4.221 1.153) 4.376 4.887 ( 0.000 -1.498 -4.564) 4.804 4.896 ( 0.000 -1.329 -2.448) 2.785 4.975 ( 0.000 -0.543 -0.934) 1.080 4.987 ( 0.000 -3.161 -2.856) 4.260 5.093 ( 0.000 1.598 -1.933) 2.508 5.099 ( 0.000 0.104 -2.555) 2.557 5.356 ( 0.000 -5.484 1.926) 5.812 5.358 ( 0.000 -5.741 1.808) 6.019 5.460 ( 0.000 -1.600 4.192) 4.487 5.500 ( 0.000 0.011 0.582) 0.582 5.671 ( 0.000 -7.400 4.101) 8.460 5.701 ( 0.000 -6.094 1.614) 6.305 5.871 ( 0.000 -0.763 4.649) 4.712 5.934 ( 0.000 -1.921 -1.101) 2.214 5.962 ( 0.000 -3.881 2.383) 4.554 5.974 ( 0.000 -3.485 0.893) 3.597 6.001 ( 0.000 -3.404 2.959) 4.510 6.013 ( 0.000 -3.323 0.744) 3.405 6.046 ( 0.000 -1.614 1.461) 2.177 6.111 ( 0.000 -2.191 -3.591) 4.207 6.126 ( 0.000 -1.067 0.108) 1.073 6.152 ( 0.000 -2.056 -2.475) 3.217 6.340 ( 0.000 -2.336 1.429) 2.739 6.349 ( 0.000 0.081 0.049) 0.094 6.358 ( 0.000 -2.063 0.202) 2.073 6.373 ( 0.000 -3.648 -1.069) 3.801 6.455 ( 0.000 0.224 -0.215) 0.311 6.456 ( 0.000 -1.006 0.028) 1.007 6.537 ( 0.000 0.488 4.250) 4.278 6.593 ( 0.000 1.148 -0.232) 1.171 6.635 ( 0.000 -0.085 -0.792) 0.796 6.641 ( 0.000 -1.619 -2.173) 2.710 6.727 ( 0.000 -0.875 0.106) 0.881 6.782 ( 0.000 -1.506 -1.243) 1.953 6.821 ( 0.000 0.882 1.003) 1.335 6.864 ( 0.000 5.246 -5.813) 7.831 6.880 ( 0.000 0.625 -0.875) 1.075 6.891 ( 0.000 -1.560 -2.566) 3.003 7.012 ( 0.000 5.426 0.702) 5.471 7.022 ( 0.000 4.128 -0.619) 4.174 7.091 ( 0.000 5.836 0.773) 5.887 7.098 ( 0.000 3.995 0.281) 4.005 7.125 ( 0.000 3.831 1.119) 3.991 7.152 ( 0.000 0.696 -1.467) 1.624 7.200 ( 0.000 4.971 -2.069) 5.385 7.220 ( 0.000 6.969 -4.779) 8.450 9.044 ( 0.000 -1.128 2.832) 3.048 9.093 ( 0.000 0.373 -1.104) 1.165 9.097 ( 0.000 0.192 1.509) 1.521 9.136 ( 0.000 -0.857 -2.500) 2.643 9.162 ( 0.000 1.228 3.614) 3.817 9.202 ( 0.000 1.053 0.309) 1.097 9.206 ( 0.000 -1.786 -0.469) 1.846 9.259 ( 0.000 0.589 -5.261) 5.294 9.304 ( 0.000 2.555 -2.153) 3.341 9.310 ( 0.000 2.374 -1.154) 2.640 9.351 ( 0.000 2.384 1.012) 2.590 9.394 ( 0.000 2.736 -2.905) 3.991 9.492 ( 0.000 4.377 1.805) 4.735 9.544 ( 0.000 1.739 -2.090) 2.718 9.550 ( 0.000 0.708 0.774) 1.049 9.572 ( 0.000 2.741 -1.873) 3.320 9.894 ( 0.000 -4.061 1.407) 4.298 9.910 ( 0.000 -4.001 0.115) 4.003 9.930 ( 0.000 -4.362 0.439) 4.384 9.944 ( 0.000 -4.280 -0.435) 4.302 9.968 ( 0.000 -4.545 0.371) 4.560 9.982 ( 0.000 -4.681 -0.776) 4.745 10.049 ( 0.000 -2.877 0.421) 2.907 10.050 ( 0.000 -2.997 0.570) 3.051 11.000 ( 0.000 0.949 1.305) 1.613 11.022 ( 0.000 0.893 -0.693) 1.130 11.074 ( 0.000 0.809 -0.044) 0.810 11.076 ( 0.000 1.181 -0.246) 1.206 11.199 ( 0.000 1.750 1.399) 2.240 11.210 ( 0.000 0.599 0.163) 0.621 11.252 ( 0.000 1.472 3.955) 4.220 11.308 ( 0.000 0.938 -0.892) 1.294 11.340 ( 0.000 0.738 1.767) 1.915 11.357 ( 0.000 1.653 -0.333) 1.686 11.380 ( 0.000 -0.390 1.716) 1.760 11.383 ( 0.000 0.495 0.390) 0.631 11.426 ( 0.000 -0.604 -0.123) 0.616 11.432 ( 0.000 -0.305 1.527) 1.557 11.489 ( 0.000 -0.550 0.084) 0.557 11.507 ( 0.000 -0.421 -0.839) 0.939 11.560 ( 0.000 -2.848 -0.235) 2.858 11.569 ( 0.000 -2.456 -0.891) 2.613 11.627 ( 0.000 0.606 0.830) 1.028 11.635 ( 0.000 0.141 0.033) 0.145 11.675 ( 0.000 -0.297 -0.523) 0.602 11.677 ( 0.000 1.368 -0.948) 1.664 11.818 ( 0.000 4.851 1.783) 5.168 11.851 ( 0.000 5.434 -0.954) 5.517 11.886 ( 0.000 -0.225 2.013) 2.025 11.924 ( 0.000 -1.166 -0.893) 1.469 11.985 ( 0.000 1.741 3.398) 3.818 12.006 ( 0.000 5.334 1.430) 5.523 12.043 ( 0.000 1.692 -0.696) 1.830 12.066 ( 0.000 5.275 -2.011) 5.645 12.125 ( 0.000 4.516 0.173) 4.519 12.132 ( 0.000 5.562 -0.291) 5.569 12.220 ( 0.000 -0.641 0.779) 1.009 12.221 ( 0.000 -1.222 0.671) 1.394 12.308 ( 0.000 1.106 3.635) 3.800 12.333 ( 0.000 1.413 1.113) 1.799 12.429 ( 0.000 1.251 8.675) 8.764 12.579 ( 0.000 -0.173 -4.173) 4.176 12.593 ( 0.000 0.278 -1.466) 1.492 12.647 ( 0.000 1.514 -8.140) 8.280 15.982 ( 0.000 -0.178 0.501) 0.531 15.986 ( 0.000 -0.296 0.131) 0.324 15.991 ( 0.000 -0.481 -0.024) 0.482 15.994 ( 0.000 -0.296 -0.333) 0.445 16.042 ( 0.000 -1.262 0.412) 1.328 16.045 ( 0.000 -1.393 0.248) 1.415 16.065 ( 0.000 -1.383 0.122) 1.389 16.066 ( 0.000 -1.400 0.030) 1.401 16.972 ( 0.000 -1.694 2.723) 3.207 16.989 ( 0.000 1.135 0.260) 1.164 17.056 ( 0.000 -0.576 2.179) 2.254 17.075 ( 0.000 -0.313 2.247) 2.269 17.154 ( 0.000 -1.121 4.360) 4.502 17.159 ( 0.000 -2.202 3.384) 4.038 17.248 ( 0.000 -1.249 3.157) 3.395 17.300 ( 0.000 -1.965 -4.429) 4.845 17.330 ( 0.000 2.567 4.395) 5.090 17.433 ( 0.000 4.422 -2.448) 5.055 17.459 ( 0.000 6.685 1.280) 6.806 17.502 ( 0.000 3.488 -4.624) 5.792 17.565 ( 0.000 5.342 1.198) 5.474 17.613 ( 0.000 7.444 -2.898) 7.988 17.697 ( 0.000 5.454 -0.454) 5.473 17.705 ( 0.000 6.325 -1.032) 6.409 18.529 ( 0.000 -8.260 22.338) 23.816 18.655 ( 0.000 -5.197 8.827) 10.243 18.668 ( 0.000 -5.094 10.213) 11.413 18.930 ( 0.000 -7.529 -7.732) 10.792 19.057 ( 0.000 -10.712 -10.255) 14.830 19.069 ( 0.000 -13.159 -10.602) 16.898 19.178 ( 0.000 -7.412 -11.563) 13.735 19.240 ( 0.000 -3.522 -11.149) 11.692 ======================= Grid point 58 (24/30) ======================= q-point: ( 0.33 0.11 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 4.604 8.460 20.241) 22.416 1.266 ( 3.930 9.807 17.713) 20.625 1.356 ( -7.458 8.531 15.239) 18.990 1.482 ( -10.080 9.466 14.250) 19.856 1.591 ( 1.345 4.884 -16.341) 17.108 1.626 ( -0.452 4.994 -14.528) 15.369 1.695 ( 0.478 6.325 -15.422) 16.675 1.742 ( 5.009 -0.006 5.313) 7.302 1.779 ( -2.834 4.675 -8.674) 10.253 1.829 ( 4.922 5.781 2.893) 8.125 1.877 ( -0.943 4.851 1.958) 5.316 1.920 ( 3.114 5.770 2.625) 7.062 1.947 ( 3.043 6.672 0.061) 7.334 1.994 ( -0.574 1.846 1.989) 2.774 2.018 ( -2.432 2.950 -3.143) 4.949 2.048 ( -0.271 6.282 2.496) 6.766 2.097 ( 2.315 1.288 -0.067) 2.650 2.174 ( 2.075 3.069 -0.618) 3.756 2.225 ( 1.611 3.766 -1.278) 4.291 2.240 ( -1.660 2.392 -2.305) 3.714 2.291 ( 3.998 3.209 -0.617) 5.164 2.323 ( 2.070 0.410 -3.867) 4.405 2.386 ( 0.495 2.523 1.727) 3.097 2.405 ( -3.536 1.343 1.270) 3.990 2.461 ( 0.526 5.133 -1.592) 5.400 2.492 ( 0.698 4.505 -0.088) 4.559 2.530 ( -3.572 3.133 0.926) 4.840 2.582 ( 2.709 2.666 4.540) 5.921 2.629 ( -7.793 4.086 -2.026) 9.029 2.709 ( -6.634 2.680 4.570) 8.490 2.775 ( 1.271 1.430 -4.364) 4.765 2.813 ( -1.660 1.000 -2.289) 2.999 2.887 ( -0.230 6.655 1.312) 6.787 2.924 ( 0.996 5.885 -0.332) 5.978 2.952 ( -1.525 6.287 0.353) 6.479 2.989 ( -2.106 5.665 -0.072) 6.044 3.029 ( 1.109 5.088 0.580) 5.239 3.099 ( 1.287 4.334 -3.956) 6.008 3.125 ( -0.997 3.250 -0.753) 3.482 3.154 ( -0.318 2.175 -2.815) 3.572 3.232 ( 0.359 1.371 0.765) 1.611 3.290 ( 0.173 0.266 -0.621) 0.698 3.304 ( 0.835 -0.061 -4.353) 4.433 3.322 ( 0.372 0.389 -2.569) 2.624 3.383 ( 2.537 3.826 1.992) 5.004 3.454 ( 6.093 2.728 -3.155) 7.384 3.545 ( -1.401 4.587 0.200) 4.801 3.568 ( -1.026 5.226 -1.832) 5.632 3.703 ( 0.730 -2.066 3.052) 3.757 3.742 ( 1.150 -0.888 0.442) 1.519 3.763 ( -0.054 -0.204 -0.167) 0.269 3.788 ( -0.805 -0.227 -0.609) 1.034 3.884 ( 3.308 -2.429 0.817) 4.184 3.907 ( 1.847 -1.584 -1.029) 2.642 3.935 ( 0.307 -0.259 0.947) 1.029 3.962 ( -1.214 -2.460 -1.300) 3.035 4.015 ( 0.506 -2.582 4.539) 5.247 4.062 ( -4.033 -2.137 3.337) 5.654 4.100 ( 0.391 -5.044 -2.440) 5.617 4.152 ( -3.163 -2.189 -2.655) 4.674 4.259 ( 1.141 -1.488 2.310) 2.975 4.302 ( 0.534 -0.524 2.626) 2.731 4.334 ( 1.198 -0.339 -2.899) 3.155 4.400 ( 1.288 1.053 -4.134) 4.457 4.471 ( 0.712 1.226 3.047) 3.361 4.498 ( -1.933 -0.721 2.931) 3.585 4.522 ( 2.535 0.592 -0.474) 2.646 4.575 ( -1.289 1.118 -1.396) 2.204 4.620 ( 1.170 0.102 -0.448) 1.257 4.648 ( 1.839 1.167 -1.806) 2.830 4.686 ( -1.802 -0.141 0.439) 1.860 4.746 ( -1.808 -1.016 -3.274) 3.875 4.805 ( -0.889 -0.006 2.181) 2.355 4.834 ( -1.318 -3.360 1.664) 3.974 4.874 ( -0.754 -3.470 -2.751) 4.492 4.923 ( 1.955 -0.269 -5.076) 5.446 4.971 ( 1.084 -0.827 1.353) 1.920 5.012 ( -0.942 -0.303 0.176) 1.005 5.049 ( -1.080 -0.398 -3.598) 3.778 5.083 ( -1.911 1.375 -4.462) 5.045 5.384 ( 2.305 -4.755 2.415) 5.810 5.392 ( 2.374 -6.169 1.658) 6.815 5.457 ( -0.918 -2.062 3.711) 4.343 5.487 ( -0.895 -1.212 0.927) 1.769 5.678 ( 0.560 -4.900 4.365) 6.586 5.725 ( 2.058 -5.722 -0.271) 6.087 5.839 ( -2.380 -0.971 5.330) 5.918 5.909 ( -1.672 -3.724 -1.269) 4.275 5.959 ( -0.201 -4.739 1.836) 5.086 5.982 ( 0.663 -4.205 0.422) 4.278 6.002 ( -0.529 -3.134 2.688) 4.163 6.027 ( 1.483 -2.015 2.165) 3.308 6.050 ( 0.459 -0.852 1.072) 1.444 6.094 ( -1.554 -1.172 1.385) 2.389 6.136 ( 0.914 -1.643 -3.892) 4.322 6.150 ( -0.411 -1.889 -3.278) 3.806 6.337 ( 0.229 -1.923 1.464) 2.428 6.347 ( -0.530 -2.258 0.465) 2.365 6.354 ( -0.071 -1.676 -0.235) 1.694 6.375 ( -0.026 -2.863 -1.518) 3.241 6.472 ( 2.027 -0.358 1.308) 2.439 6.489 ( 3.041 -0.517 0.085) 3.086 6.531 ( -1.303 -0.583 2.365) 2.762 6.566 ( -4.265 -0.443 -0.803) 4.362 6.616 ( 2.054 0.929 2.276) 3.203 6.653 ( -0.872 -0.335 0.516) 1.067 6.708 ( -0.570 0.303 -3.335) 3.397 6.764 ( -1.663 0.146 -3.938) 4.277 6.852 ( 2.056 0.462 1.140) 2.396 6.877 ( 0.222 0.602 -0.461) 0.790 6.887 ( 1.158 1.567 -3.347) 3.872 6.895 ( -0.041 0.438 -2.397) 2.437 7.008 ( -0.337 5.279 -0.510) 5.314 7.021 ( -0.004 3.847 -1.404) 4.095 7.079 ( -0.555 4.112 2.333) 4.760 7.111 ( 0.658 4.632 -0.279) 4.687 7.137 ( 1.003 3.579 0.858) 3.815 7.149 ( -0.277 1.926 -0.344) 1.976 7.191 ( -0.606 4.675 -2.492) 5.332 7.203 ( -1.403 7.457 -4.724) 8.938 9.052 ( 0.662 -1.382 3.080) 3.440 9.081 ( -0.841 -0.152 1.366) 1.611 9.104 ( 0.344 0.553 -0.339) 0.734 9.130 ( -0.302 -0.497 -2.300) 2.373 9.169 ( 0.391 1.543 2.164) 2.686 9.206 ( 0.320 3.139 1.156) 3.360 9.232 ( 1.890 -1.311 -1.581) 2.791 9.258 ( -0.197 0.273 -4.904) 4.916 9.285 ( -0.259 1.314 -0.209) 1.356 9.323 ( -0.377 1.733 -1.754) 2.494 9.332 ( -1.083 1.608 0.510) 2.005 9.379 ( -1.129 0.829 -2.971) 3.285 9.500 ( 0.557 3.480 1.137) 3.703 9.524 ( -0.936 2.393 0.436) 2.606 9.539 ( -1.015 2.447 -0.919) 2.804 9.568 ( -0.259 4.068 -2.387) 4.724 9.896 ( 0.124 -4.577 1.264) 4.750 9.910 ( 0.100 -4.272 0.533) 4.306 9.918 ( -0.699 -4.340 0.262) 4.404 9.936 ( -0.378 -3.755 -0.752) 3.848 9.986 ( 1.272 -4.603 0.632) 4.818 10.001 ( 1.226 -4.561 -0.644) 4.766 10.036 ( -0.964 -2.921 0.915) 3.210 10.048 ( -0.286 -2.738 -0.074) 2.754 11.006 ( 0.591 1.597 1.261) 2.119 11.023 ( 0.095 1.446 0.313) 1.483 11.044 ( -1.472 2.099 -0.306) 2.582 11.059 ( -1.478 2.076 -1.225) 2.827 11.232 ( 2.849 0.092 2.332) 3.683 11.253 ( 1.890 0.694 2.240) 3.012 11.264 ( 1.629 -0.074 0.876) 1.851 11.302 ( -1.045 0.228 0.858) 1.371 11.319 ( -1.528 0.345 2.015) 2.552 11.357 ( -0.251 0.560 0.806) 1.014 11.368 ( -0.081 0.732 -1.756) 1.904 11.389 ( -0.583 0.926 -1.291) 1.692 11.420 ( -0.123 -0.884 1.859) 2.062 11.448 ( 1.761 -0.533 1.784) 2.562 11.477 ( -1.080 0.176 0.031) 1.094 11.514 ( 0.131 0.266 -1.380) 1.412 11.567 ( 1.440 -2.608 0.066) 2.980 11.575 ( 0.689 -1.457 -0.577) 1.712 11.595 ( -1.989 -1.595 1.677) 3.052 11.636 ( -2.237 -1.753 -2.114) 3.542 11.708 ( 4.745 0.549 0.767) 4.838 11.724 ( 4.274 1.554 -1.127) 4.685 11.792 ( -2.955 1.803 1.463) 3.758 11.825 ( -4.197 3.832 -0.700) 5.726 11.900 ( 1.062 2.034 2.391) 3.313 11.920 ( 1.358 1.662 1.235) 2.476 11.960 ( -0.938 3.031 0.929) 3.306 11.995 ( -2.842 4.039 -1.580) 5.186 12.041 ( 1.232 1.813 3.177) 3.860 12.091 ( 1.033 3.793 -0.360) 3.948 12.109 ( -0.513 4.920 -0.731) 5.001 12.128 ( -0.627 6.227 -1.373) 6.408 12.238 ( 1.679 -0.680 2.736) 3.281 12.273 ( 3.028 -0.728 1.192) 3.335 12.296 ( -0.255 0.727 2.236) 2.365 12.329 ( -1.026 0.833 0.453) 1.397 12.443 ( 1.392 0.983 6.866) 7.074 12.532 ( -3.076 0.412 2.755) 4.150 12.601 ( 0.016 0.780 -7.595) 7.635 12.650 ( 0.164 1.245 -7.707) 7.809 15.982 ( 0.060 -0.256 0.470) 0.539 15.986 ( -0.142 -0.346 0.339) 0.504 15.990 ( 0.178 -0.284 -0.185) 0.383 15.994 ( -0.094 -0.362 -0.376) 0.530 16.047 ( 0.389 -1.301 0.419) 1.421 16.049 ( 0.552 -1.336 0.207) 1.460 16.058 ( -0.589 -1.255 0.221) 1.404 16.061 ( -0.540 -1.375 0.004) 1.477 16.964 ( 0.270 -0.841 3.204) 3.324 16.998 ( -1.511 -1.121 3.591) 4.054 17.014 ( -0.264 0.460 -0.872) 1.021 17.057 ( -2.353 0.108 -0.721) 2.464 17.163 ( 2.791 -0.433 5.334) 6.035 17.200 ( -0.020 -0.101 6.085) 6.086 17.261 ( 1.703 -1.004 -0.690) 2.094 17.304 ( 0.507 -0.447 -0.785) 1.036 17.365 ( 2.143 0.332 -0.321) 2.192 17.400 ( -1.712 2.361 -1.954) 3.510 17.428 ( -2.205 1.792 3.960) 4.874 17.526 ( 0.637 6.153 -2.975) 6.864 17.593 ( 2.003 5.738 -0.084) 6.078 17.628 ( 2.172 7.276 -3.351) 8.300 17.662 ( -2.641 6.467 1.066) 7.066 17.696 ( -1.409 6.456 -2.298) 6.996 18.536 ( 0.595 -6.794 20.443) 21.551 18.588 ( -2.483 -6.073 16.499) 17.756 18.772 ( 6.133 -5.723 2.103) 8.648 18.894 ( -3.804 -5.527 -2.553) 7.179 19.011 ( -1.667 -14.759 -9.819) 17.805 19.129 ( 3.183 -9.206 -11.272) 14.897 19.173 ( -0.117 -7.297 -13.640) 15.470 19.214 ( -2.426 -4.758 -11.761) 12.917 ======================= Grid point 60 (25/30) ======================= q-point: ( 0.00 0.22 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 13.671 15.409) 20.599 1.426 ( 0.000 9.925 13.933) 17.106 1.613 ( 0.000 -0.764 5.963) 6.012 1.672 ( 0.000 5.367 0.864) 5.437 1.711 ( 0.000 5.833 -8.001) 9.902 1.717 ( 0.000 3.016 -8.011) 8.560 1.764 ( 0.000 5.054 3.777) 6.309 1.812 ( 0.000 1.350 -4.284) 4.492 1.844 ( 0.000 5.436 -5.729) 7.898 1.875 ( 0.000 4.001 -1.548) 4.290 1.945 ( 0.000 -0.025 -1.139) 1.139 1.953 ( 0.000 3.593 -8.085) 8.848 2.002 ( 0.000 1.553 -1.770) 2.355 2.013 ( 0.000 6.205 -3.385) 7.068 2.100 ( 0.000 0.505 0.372) 0.627 2.172 ( 0.000 6.734 -4.875) 8.313 2.238 ( 0.000 6.522 1.991) 6.819 2.239 ( 0.000 5.597 0.061) 5.597 2.273 ( 0.000 3.507 3.580) 5.012 2.326 ( 0.000 3.746 -1.130) 3.913 2.366 ( 0.000 6.063 0.625) 6.095 2.421 ( 0.000 5.059 -3.032) 5.898 2.459 ( 0.000 5.329 -0.128) 5.331 2.493 ( 0.000 5.263 -0.978) 5.353 2.557 ( 0.000 5.057 2.608) 5.690 2.589 ( 0.000 4.877 0.487) 4.901 2.643 ( 0.000 3.274 3.990) 5.161 2.680 ( 0.000 6.340 0.507) 6.360 2.788 ( 0.000 4.453 2.112) 4.928 2.821 ( 0.000 2.333 -1.005) 2.540 2.840 ( 0.000 0.483 -0.469) 0.673 2.853 ( 0.000 1.898 0.284) 1.919 2.998 ( 0.000 5.021 3.289) 6.003 3.050 ( 0.000 7.708 0.158) 7.710 3.100 ( 0.000 2.914 0.033) 2.914 3.129 ( 0.000 5.348 -1.624) 5.589 3.180 ( 0.000 6.572 3.187) 7.304 3.204 ( 0.000 3.443 -1.131) 3.624 3.218 ( 0.000 9.978 -0.565) 9.994 3.243 ( 0.000 5.886 0.384) 5.899 3.303 ( 0.000 4.332 -1.323) 4.530 3.330 ( 0.000 4.199 -3.246) 5.308 3.352 ( 0.000 6.068 -2.809) 6.686 3.372 ( 0.000 7.221 -6.434) 9.672 3.446 ( 0.000 1.837 1.909) 2.650 3.462 ( 0.000 4.313 0.244) 4.320 3.578 ( 0.000 0.638 -0.042) 0.639 3.598 ( 0.000 0.779 -1.618) 1.795 3.659 ( 0.000 -2.506 3.515) 4.317 3.715 ( 0.000 -1.121 -3.322) 3.507 3.770 ( 0.000 -3.623 0.625) 3.677 3.772 ( 0.000 -3.948 0.794) 4.027 3.819 ( 0.000 1.945 1.838) 2.676 3.887 ( 0.000 -2.779 1.756) 3.287 3.889 ( 0.000 -0.057 -2.372) 2.372 3.915 ( 0.000 -1.440 -1.443) 2.038 3.977 ( 0.000 -1.646 1.769) 2.417 3.997 ( 0.000 -2.272 -0.872) 2.434 4.109 ( 0.000 1.114 2.485) 2.723 4.115 ( 0.000 0.917 0.279) 0.958 4.222 ( 0.000 -0.760 1.604) 1.775 4.294 ( 0.000 -1.210 -4.274) 4.442 4.312 ( 0.000 -1.166 1.676) 2.042 4.371 ( 0.000 -1.774 -3.073) 3.548 4.483 ( 0.000 -0.593 1.755) 1.853 4.501 ( 0.000 0.091 1.498) 1.500 4.540 ( 0.000 -0.326 1.403) 1.440 4.551 ( 0.000 -2.357 3.320) 4.071 4.664 ( 0.000 2.614 -2.202) 3.418 4.678 ( 0.000 0.296 -0.620) 0.687 4.701 ( 0.000 3.498 -0.301) 3.511 4.731 ( 0.000 2.929 -2.517) 3.861 4.785 ( 0.000 -1.951 1.446) 2.429 4.812 ( 0.000 -2.024 -0.575) 2.104 4.870 ( 0.000 -1.670 -0.137) 1.675 4.879 ( 0.000 0.467 -1.516) 1.586 4.936 ( 0.000 -1.942 -0.667) 2.053 4.943 ( 0.000 -1.157 -2.428) 2.690 5.088 ( 0.000 -1.736 0.821) 1.920 5.117 ( 0.000 3.108 -2.187) 3.800 5.283 ( 0.000 -0.377 1.128) 1.190 5.292 ( 0.000 -0.846 0.224) 0.875 5.466 ( 0.000 1.771 3.661) 4.067 5.492 ( 0.000 -1.606 1.391) 2.124 5.589 ( 0.000 -0.858 2.003) 2.179 5.625 ( 0.000 0.532 -1.320) 1.423 5.804 ( 0.000 -4.259 3.494) 5.509 5.845 ( 0.000 -4.724 0.213) 4.729 5.886 ( 0.000 -3.808 0.918) 3.917 5.897 ( 0.000 -4.019 0.329) 4.032 5.925 ( 0.000 -4.456 1.591) 4.732 5.931 ( 0.000 -3.183 0.928) 3.316 6.013 ( 0.000 -0.922 2.491) 2.656 6.069 ( 0.000 -1.455 -2.489) 2.883 6.084 ( 0.000 -2.647 0.217) 2.656 6.097 ( 0.000 -3.276 -1.405) 3.565 6.292 ( 0.000 -2.934 0.721) 3.021 6.294 ( 0.000 -4.236 0.228) 4.242 6.314 ( 0.000 -2.265 1.803) 2.895 6.345 ( 0.000 -1.135 -0.735) 1.353 6.443 ( 0.000 -0.886 1.530) 1.768 6.466 ( 0.000 -0.012 -0.801) 0.801 6.523 ( 0.000 -2.119 3.352) 3.966 6.586 ( 0.000 -1.311 0.863) 1.570 6.605 ( 0.000 -2.592 -2.754) 3.782 6.618 ( 0.000 -1.761 0.009) 1.761 6.667 ( 0.000 -4.224 -0.244) 4.231 6.726 ( 0.000 -4.061 -3.149) 5.139 6.842 ( 0.000 -0.032 1.524) 1.524 6.842 ( 0.000 -2.155 -0.273) 2.172 6.873 ( 0.000 -0.966 -2.083) 2.297 6.901 ( 0.000 -2.232 -4.119) 4.685 7.087 ( 0.000 4.129 -0.947) 4.236 7.092 ( 0.000 3.122 -0.956) 3.265 7.189 ( 0.000 4.726 0.010) 4.726 7.191 ( 0.000 5.002 0.058) 5.002 7.245 ( 0.000 6.607 2.373) 7.020 7.269 ( 0.000 7.416 -1.327) 7.533 7.324 ( 0.000 5.589 -2.563) 6.149 7.351 ( 0.000 4.842 -4.563) 6.653 9.024 ( 0.000 -0.484 2.148) 2.202 9.088 ( 0.000 -1.850 -1.694) 2.508 9.090 ( 0.000 -0.643 0.225) 0.682 9.108 ( 0.000 -0.278 -3.534) 3.545 9.167 ( 0.000 -2.036 -1.669) 2.632 9.168 ( 0.000 -1.539 -0.983) 1.826 9.244 ( 0.000 2.915 1.323) 3.201 9.282 ( 0.000 1.321 -2.111) 2.491 9.367 ( 0.000 1.689 1.261) 2.108 9.387 ( 0.000 2.594 -0.558) 2.653 9.406 ( 0.000 3.801 1.679) 4.155 9.435 ( 0.000 2.797 -1.407) 3.131 9.548 ( 0.000 -0.127 0.083) 0.152 9.553 ( 0.000 0.670 -0.302) 0.735 9.603 ( 0.000 3.894 2.371) 4.559 9.644 ( 0.000 1.778 -1.381) 2.252 9.812 ( 0.000 -4.682 1.265) 4.850 9.818 ( 0.000 -2.854 0.727) 2.945 9.851 ( 0.000 -3.758 -1.582) 4.077 9.851 ( 0.000 -3.148 -1.492) 3.484 9.885 ( 0.000 -2.650 0.546) 2.706 9.891 ( 0.000 -2.524 -0.063) 2.525 9.954 ( 0.000 -5.543 0.411) 5.559 9.967 ( 0.000 -3.774 -0.946) 3.891 11.048 ( 0.000 2.900 0.954) 3.053 11.058 ( 0.000 2.096 -0.076) 2.097 11.100 ( 0.000 2.747 0.506) 2.793 11.113 ( 0.000 3.790 -0.468) 3.819 11.253 ( 0.000 1.673 2.426) 2.946 11.277 ( 0.000 2.877 0.873) 3.007 11.288 ( 0.000 1.437 4.527) 4.750 11.334 ( 0.000 0.597 1.192) 1.333 11.338 ( 0.000 0.161 0.922) 0.936 11.344 ( 0.000 -0.300 0.417) 0.514 11.375 ( 0.000 -1.727 3.826) 4.198 11.395 ( 0.000 0.679 0.771) 1.027 11.419 ( 0.000 -0.080 -1.260) 1.262 11.436 ( 0.000 0.720 -0.961) 1.201 11.475 ( 0.000 -0.647 -1.836) 1.947 11.475 ( 0.000 0.366 -2.367) 2.395 11.571 ( 0.000 1.467 0.304) 1.498 11.576 ( 0.000 1.545 0.169) 1.554 11.628 ( 0.000 -0.047 0.974) 0.975 11.655 ( 0.000 3.173 -0.851) 3.285 11.669 ( 0.000 0.280 -0.978) 1.018 11.687 ( 0.000 0.072 -3.095) 3.096 11.845 ( 0.000 -0.657 2.498) 2.583 11.893 ( 0.000 -2.899 -1.586) 3.305 11.922 ( 0.000 2.548 3.880) 4.642 11.938 ( 0.000 0.995 4.802) 4.904 11.977 ( 0.000 0.634 -0.440) 0.772 12.037 ( 0.000 -2.075 -3.465) 4.039 12.081 ( 0.000 1.041 3.573) 3.722 12.128 ( 0.000 0.292 -0.127) 0.318 12.185 ( 0.000 0.338 1.024) 1.078 12.194 ( 0.000 -0.211 0.334) 0.395 12.255 ( 0.000 4.560 1.528) 4.810 12.288 ( 0.000 3.932 -1.157) 4.099 12.403 ( 0.000 8.080 2.118) 8.353 12.417 ( 0.000 8.672 0.943) 8.723 12.513 ( 0.000 6.796 5.558) 8.780 12.606 ( 0.000 2.107 -3.142) 3.783 12.622 ( 0.000 3.183 -0.706) 3.260 12.709 ( 0.000 5.758 -8.450) 10.225 15.974 ( 0.000 -0.822 0.263) 0.863 15.974 ( 0.000 -0.618 0.320) 0.696 15.980 ( 0.000 -0.501 0.132) 0.518 15.985 ( 0.000 -0.656 -0.150) 0.673 16.011 ( 0.000 -1.728 0.250) 1.746 16.013 ( 0.000 -1.503 -0.088) 1.506 16.030 ( 0.000 -1.814 0.039) 1.815 16.031 ( 0.000 -1.777 -0.069) 1.778 16.906 ( 0.000 -3.882 4.878) 6.235 16.988 ( 0.000 -1.764 -1.136) 2.099 17.040 ( 0.000 -2.972 1.711) 3.429 17.061 ( 0.000 0.119 0.849) 0.858 17.130 ( 0.000 -0.397 1.808) 1.851 17.139 ( 0.000 -0.638 2.071) 2.167 17.203 ( 0.000 -2.208 2.057) 3.018 17.253 ( 0.000 -2.175 -3.000) 3.705 17.362 ( 0.000 -0.792 5.642) 5.697 17.491 ( 0.000 -0.389 -4.876) 4.891 17.537 ( 0.000 0.550 2.427) 2.489 17.560 ( 0.000 1.344 -2.997) 3.285 17.658 ( 0.000 1.530 0.188) 1.542 17.732 ( 0.000 1.214 -5.037) 5.181 17.846 ( 0.000 8.647 0.273) 8.651 17.866 ( 0.000 8.709 -1.545) 8.845 18.282 ( 0.000 -14.561 17.706) 22.924 18.515 ( 0.000 -9.192 4.775) 10.358 18.561 ( 0.000 -3.748 13.014) 13.543 18.723 ( 0.000 -11.074 -11.672) 16.089 18.835 ( 0.000 -6.245 -1.274) 6.373 18.888 ( 0.000 -4.768 -11.625) 12.565 19.027 ( 0.000 -4.812 -3.043) 5.694 19.181 ( 0.000 -1.243 -12.577) 12.638 ======================= Grid point 61 (26/30) ======================= q-point: ( 0.33 0.22 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 2.046 12.267 14.531) 19.126 1.460 ( 0.574 7.834 11.914) 14.271 1.565 ( -1.064 9.391 11.064) 14.551 1.627 ( -4.488 4.499 7.966) 10.190 1.691 ( -1.121 -0.307 -1.248) 1.705 1.713 ( 0.732 5.725 -12.576) 13.837 1.758 ( -0.844 5.433 -6.494) 8.509 1.829 ( 0.436 4.243 -8.196) 9.239 1.862 ( 1.826 -0.893 -8.019) 8.272 1.900 ( -1.266 5.575 -7.448) 9.389 1.916 ( 0.007 2.777 -0.740) 2.874 1.982 ( 0.544 0.891 -3.447) 3.601 2.017 ( 3.780 3.576 3.549) 6.298 2.093 ( 2.574 1.134 -0.945) 2.967 2.108 ( 3.642 4.009 -0.106) 5.417 2.171 ( -1.806 5.673 -0.258) 5.959 2.182 ( -1.184 5.381 -0.708) 5.555 2.235 ( -0.569 2.723 -0.516) 2.829 2.287 ( -3.068 2.513 -0.519) 4.000 2.321 ( 0.532 4.472 -2.144) 4.988 2.386 ( 2.781 5.070 -0.588) 5.812 2.419 ( 1.406 6.274 -1.354) 6.571 2.453 ( 0.547 5.047 3.384) 6.101 2.493 ( -3.814 6.462 -0.518) 7.522 2.555 ( -1.278 3.574 1.877) 4.234 2.592 ( 0.862 4.064 0.343) 4.169 2.613 ( -0.211 4.802 0.490) 4.832 2.669 ( -2.414 4.276 -1.179) 5.050 2.751 ( -0.526 6.414 3.605) 7.376 2.801 ( -2.055 4.821 2.797) 5.941 2.828 ( -0.842 1.846 -2.142) 2.951 2.855 ( 0.645 4.453 -1.793) 4.843 3.024 ( 1.826 6.755 3.440) 7.798 3.072 ( 1.793 5.600 1.296) 6.022 3.103 ( -2.204 6.456 3.080) 7.485 3.139 ( 1.065 5.855 0.604) 5.981 3.157 ( 0.287 7.100 2.353) 7.486 3.191 ( -0.493 3.268 -1.512) 3.635 3.209 ( -0.780 6.331 -0.249) 6.384 3.258 ( 0.236 6.587 -4.658) 8.071 3.299 ( -0.410 3.857 -2.703) 4.727 3.327 ( -0.214 5.038 0.262) 5.050 3.358 ( -0.834 7.307 -5.975) 9.476 3.377 ( 0.831 5.241 -2.460) 5.849 3.467 ( 1.119 2.868 1.289) 3.338 3.484 ( 2.492 0.474 -0.876) 2.683 3.582 ( 0.247 -0.960 2.175) 2.390 3.626 ( 2.247 0.113 -1.259) 2.578 3.660 ( -0.498 -2.658 3.424) 4.363 3.719 ( -0.634 -2.437 0.143) 2.522 3.729 ( -0.503 -4.542 -1.151) 4.713 3.760 ( -1.989 -1.969 -1.608) 3.228 3.833 ( 0.701 -3.196 0.706) 3.347 3.875 ( 0.511 -1.125 -2.067) 2.408 3.901 ( -0.061 1.054 0.675) 1.254 3.915 ( -0.194 2.111 -1.032) 2.358 3.985 ( 0.825 -0.484 2.601) 2.772 4.025 ( 2.811 -1.379 -0.366) 3.153 4.074 ( -2.675 1.504 1.035) 3.238 4.118 ( -1.735 0.124 -1.823) 2.520 4.221 ( 0.551 -1.780 3.013) 3.543 4.277 ( -0.282 -1.580 2.963) 3.370 4.321 ( 0.110 -1.854 -3.246) 3.739 4.383 ( 0.368 -2.487 -4.119) 4.825 4.482 ( 0.320 0.131 2.555) 2.578 4.494 ( -0.128 -0.133 2.228) 2.236 4.528 ( 0.209 -0.364 0.289) 0.509 4.556 ( -1.334 -1.854 -1.042) 2.510 4.647 ( -0.386 2.032 1.084) 2.336 4.682 ( 0.015 0.020 -2.578) 2.578 4.697 ( -0.266 3.597 1.749) 4.008 4.747 ( 0.898 1.634 -1.902) 2.664 4.774 ( -0.937 -0.001 -1.326) 1.624 4.805 ( -1.008 -1.401 -2.542) 3.072 4.848 ( -0.034 1.562 3.420) 3.760 4.909 ( 1.732 -2.555 0.557) 3.136 4.926 ( 0.042 -2.378 -0.313) 2.399 4.985 ( 1.763 -2.948 -3.676) 5.031 5.049 ( -2.066 2.205 1.614) 3.426 5.118 ( -0.696 2.553 -4.504) 5.224 5.286 ( 0.903 -2.214 3.394) 4.152 5.330 ( 2.032 -1.307 -0.845) 2.560 5.444 ( -1.453 0.813 4.275) 4.588 5.488 ( -0.459 1.375 0.027) 1.449 5.611 ( 1.782 -1.942 2.822) 3.861 5.656 ( 2.268 -0.116 -1.462) 2.701 5.785 ( -1.672 -3.318 3.527) 5.123 5.829 ( -1.524 -3.448 -0.526) 3.806 5.857 ( -1.194 -4.546 0.943) 4.794 5.880 ( -0.782 -4.415 -0.839) 4.562 5.928 ( 0.158 -3.960 3.665) 5.398 5.965 ( 1.789 -3.309 0.776) 3.841 6.022 ( 0.669 -1.335 2.380) 2.809 6.053 ( -1.339 -2.551 1.251) 3.141 6.088 ( 0.257 -3.028 -1.903) 3.586 6.101 ( 0.277 -2.238 -3.269) 3.971 6.294 ( 0.342 -2.822 1.122) 3.056 6.303 ( 0.133 -2.651 1.079) 2.865 6.307 ( 0.346 -3.080 0.320) 3.116 6.333 ( -1.414 -1.757 -1.093) 2.507 6.457 ( 1.999 -1.635 1.799) 3.147 6.482 ( 1.879 -0.664 -0.364) 2.026 6.510 ( -2.200 -2.203 2.084) 3.746 6.545 ( -4.081 -1.747 -0.657) 4.488 6.604 ( 1.368 -1.709 2.101) 3.034 6.623 ( 0.093 -2.290 1.818) 2.926 6.683 ( 1.714 -2.918 -3.380) 4.783 6.733 ( -0.771 -3.331 -4.752) 5.855 6.833 ( -0.114 -1.616 1.277) 2.063 6.861 ( 1.316 -1.564 -0.498) 2.104 6.877 ( 0.070 -1.350 -1.918) 2.347 6.895 ( -0.507 -1.983 -2.721) 3.405 7.088 ( 0.049 3.541 -0.224) 3.548 7.101 ( 0.618 3.924 -1.970) 4.434 7.181 ( -0.658 5.364 0.117) 5.406 7.185 ( -0.295 4.743 -0.348) 4.765 7.250 ( 0.294 6.315 1.928) 6.610 7.277 ( 0.739 6.834 0.091) 6.875 7.312 ( -1.053 5.926 -2.779) 6.630 7.347 ( -0.265 5.386 -4.627) 7.105 9.025 ( 0.028 -0.914 1.995) 2.195 9.074 ( -0.364 -0.570 0.636) 0.929 9.092 ( -0.340 -2.167 -4.001) 4.563 9.109 ( -0.001 -0.377 -2.309) 2.339 9.187 ( 2.532 -1.007 0.538) 2.777 9.207 ( 3.104 -0.923 -1.148) 3.436 9.247 ( -0.445 0.676 0.175) 0.828 9.265 ( -2.411 0.134 -1.394) 2.789 9.349 ( -0.822 2.507 1.098) 2.858 9.374 ( -0.689 2.260 -0.225) 2.373 9.378 ( -1.842 3.842 1.033) 4.384 9.421 ( -1.196 4.884 -1.872) 5.365 9.549 ( 0.258 1.159 0.938) 1.513 9.570 ( 0.919 0.324 -0.887) 1.318 9.603 ( -0.130 2.968 1.893) 3.522 9.636 ( -0.485 1.116 -1.237) 1.735 9.804 ( -0.466 -4.138 1.407) 4.395 9.829 ( 0.805 -2.197 -0.091) 2.342 9.845 ( -0.123 -2.446 0.290) 2.466 9.873 ( 1.164 -2.315 -1.246) 2.875 9.887 ( -0.079 -3.115 0.042) 3.116 9.895 ( 0.557 -4.203 -0.731) 4.302 9.944 ( -0.778 -5.312 0.497) 5.392 9.965 ( -0.166 -4.083 -1.059) 4.221 11.060 ( 0.433 3.054 0.847) 3.198 11.070 ( 1.522 2.752 0.136) 3.148 11.099 ( -0.695 3.415 0.796) 3.575 11.120 ( 0.602 4.203 -0.815) 4.323 11.255 ( 0.413 1.203 2.540) 2.841 11.281 ( 0.655 1.483 1.501) 2.209 11.291 ( 0.087 1.251 1.877) 2.257 11.310 ( -0.829 -0.231 2.656) 2.792 11.320 ( -1.842 0.599 2.142) 2.888 11.348 ( 0.102 -0.275 -0.763) 0.817 11.366 ( -0.984 -1.107 -0.108) 1.485 11.399 ( -0.608 -0.455 -0.512) 0.916 11.419 ( 0.605 -1.430 1.848) 2.414 11.433 ( 0.597 0.530 1.622) 1.808 11.484 ( 0.301 -2.155 -1.468) 2.625 11.503 ( 1.544 2.403 -2.565) 3.839 11.564 ( 0.167 1.351 0.418) 1.424 11.580 ( 0.783 1.680 -0.571) 1.939 11.607 ( -1.814 3.063 0.022) 3.560 11.631 ( -2.157 2.329 -1.782) 3.640 11.703 ( 3.651 -0.830 1.137) 3.913 11.736 ( 3.711 -0.063 -1.748) 4.102 11.794 ( -3.963 -0.642 2.032) 4.499 11.848 ( -3.607 -0.712 -2.301) 4.338 11.935 ( 0.293 -0.860 4.856) 4.941 11.960 ( 1.191 2.127 3.248) 4.061 12.000 ( 2.096 0.775 0.387) 2.268 12.024 ( -0.795 -0.762 -2.630) 2.851 12.063 ( -1.657 1.029 3.536) 4.038 12.135 ( 0.671 -0.246 -1.903) 2.032 12.195 ( 1.188 1.272 3.712) 4.100 12.237 ( 2.355 0.926 -0.206) 2.539 12.258 ( 0.179 3.656 0.837) 3.755 12.293 ( 0.896 1.872 -1.765) 2.724 12.366 ( -2.511 5.535 2.151) 6.447 12.401 ( -1.800 9.106 -0.953) 9.331 12.531 ( 1.415 5.504 5.494) 7.904 12.564 ( -1.893 5.155 3.787) 6.670 12.666 ( 2.296 4.314 -6.176) 7.876 12.698 ( -1.180 5.182 -8.196) 9.768 15.972 ( -0.051 -0.716 0.407) 0.825 15.977 ( 0.139 -0.641 0.358) 0.747 15.980 ( 0.002 -0.610 -0.103) 0.619 15.984 ( -0.099 -0.647 -0.111) 0.663 16.013 ( 0.199 -1.834 0.254) 1.862 16.018 ( 0.450 -1.595 -0.160) 1.665 16.027 ( -0.368 -1.724 0.058) 1.764 16.028 ( -0.285 -1.584 -0.037) 1.610 16.921 ( 1.631 -3.129 4.972) 6.097 16.968 ( -2.931 -1.641 4.285) 5.445 17.012 ( 0.389 -1.318 -3.057) 3.352 17.044 ( -2.047 -1.167 -2.095) 3.153 17.156 ( 2.636 -0.719 3.208) 4.214 17.187 ( 1.086 -1.036 4.516) 4.759 17.217 ( 3.718 -2.819 -0.470) 4.690 17.275 ( -0.896 -2.256 -2.386) 3.404 17.360 ( 0.467 -1.515 1.746) 2.358 17.426 ( -3.486 -1.135 0.051) 3.666 17.436 ( -4.604 -1.158 2.781) 5.502 17.587 ( -1.216 -0.877 -7.055) 7.213 17.731 ( 5.739 5.579 2.291) 8.325 17.783 ( 4.099 5.060 -2.982) 7.163 17.824 ( -2.495 8.342 0.967) 8.760 17.852 ( -1.801 7.823 -1.736) 8.213 18.311 ( 2.494 -14.987 15.261) 21.534 18.443 ( -4.084 -5.259 13.960) 15.466 18.615 ( 2.995 -13.626 -5.745) 15.088 18.685 ( -3.712 -9.542 -8.354) 13.215 18.826 ( 2.150 -1.431 4.903) 5.542 18.944 ( -0.053 -6.318 -1.768) 6.561 19.042 ( 4.214 -3.935 -11.828) 13.159 19.137 ( -4.560 -1.581 -12.873) 13.748 ======================= Grid point 63 (27/30) ======================= q-point: ( 0.00 0.33 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 -4.617 0.769) 4.680 1.534 ( 0.000 -0.718 1.952) 2.080 1.660 ( 0.000 10.325 7.459) 12.738 1.705 ( 0.000 0.706 -1.649) 1.794 1.776 ( 0.000 3.579 -1.063) 3.734 1.793 ( 0.000 3.375 2.644) 4.287 1.863 ( 0.000 1.396 -0.245) 1.417 1.893 ( 0.000 5.769 -7.986) 9.852 1.918 ( 0.000 2.087 -0.810) 2.238 1.972 ( 0.000 -0.091 -5.081) 5.082 1.976 ( 0.000 5.689 0.009) 5.689 2.024 ( 0.000 7.318 3.261) 8.012 2.081 ( 0.000 5.434 -6.898) 8.781 2.130 ( 0.000 2.370 -3.531) 4.253 2.176 ( 0.000 7.827 -0.587) 7.849 2.254 ( 0.000 2.363 -5.000) 5.530 2.326 ( 0.000 2.842 0.423) 2.873 2.332 ( 0.000 4.047 -0.069) 4.047 2.368 ( 0.000 5.009 2.748) 5.713 2.402 ( 0.000 3.548 -0.525) 3.587 2.468 ( 0.000 4.843 3.218) 5.814 2.491 ( 0.000 2.420 -1.944) 3.104 2.542 ( 0.000 2.932 -1.023) 3.105 2.583 ( 0.000 3.487 -1.477) 3.787 2.641 ( 0.000 1.225 1.702) 2.097 2.657 ( 0.000 0.141 3.728) 3.730 2.686 ( 0.000 1.324 -0.887) 1.594 2.731 ( 0.000 0.429 0.266) 0.505 2.812 ( 0.000 -0.840 -1.744) 1.936 2.817 ( 0.000 0.928 0.991) 1.358 2.912 ( 0.000 3.269 0.734) 3.351 2.932 ( 0.000 2.617 -2.085) 3.346 3.076 ( 0.000 1.001 3.046) 3.206 3.138 ( 0.000 -2.173 -3.309) 3.959 3.138 ( 0.000 1.731 0.822) 1.917 3.150 ( 0.000 1.396 0.735) 1.577 3.218 ( 0.000 -0.612 1.518) 1.637 3.269 ( 0.000 -1.736 -2.896) 3.376 3.278 ( 0.000 -0.286 0.243) 0.375 3.296 ( 0.000 -0.247 -2.147) 2.161 3.387 ( 0.000 -3.106 3.013) 4.327 3.422 ( 0.000 -1.964 -0.401) 2.004 3.493 ( 0.000 9.419 1.813) 9.592 3.521 ( 0.000 3.322 1.832) 3.794 3.532 ( 0.000 1.870 -2.045) 2.771 3.562 ( 0.000 -3.215 1.392) 3.503 3.572 ( 0.000 8.648 2.855) 9.107 3.626 ( 0.000 0.728 -0.819) 1.096 3.639 ( 0.000 -0.347 -0.463) 0.578 3.682 ( 0.000 4.587 -1.746) 4.908 3.688 ( 0.000 -0.721 2.432) 2.536 3.740 ( 0.000 1.226 -3.118) 3.350 3.810 ( 0.000 0.624 -1.698) 1.809 3.832 ( 0.000 -1.755 -3.965) 4.336 3.897 ( 0.000 1.096 1.179) 1.610 3.926 ( 0.000 1.124 -1.285) 1.707 4.011 ( 0.000 4.092 3.876) 5.636 4.078 ( 0.000 5.843 -1.850) 6.129 4.168 ( 0.000 3.128 1.515) 3.476 4.171 ( 0.000 4.690 1.652) 4.973 4.250 ( 0.000 4.122 0.772) 4.194 4.266 ( 0.000 1.630 -1.783) 2.416 4.294 ( 0.000 -0.343 0.587) 0.680 4.320 ( 0.000 -2.416 -1.397) 2.791 4.470 ( 0.000 -0.657 1.343) 1.495 4.483 ( 0.000 -1.168 0.815) 1.424 4.530 ( 0.000 0.138 0.932) 0.942 4.538 ( 0.000 -0.161 -0.812) 0.828 4.691 ( 0.000 0.477 0.785) 0.918 4.709 ( 0.000 1.334 -0.944) 1.634 4.749 ( 0.000 0.490 0.982) 1.097 4.766 ( 0.000 -0.820 -1.693) 1.881 4.808 ( 0.000 3.833 2.327) 4.484 4.832 ( 0.000 3.329 1.439) 3.627 4.860 ( 0.000 1.417 2.116) 2.547 4.876 ( 0.000 -0.192 1.111) 1.127 4.924 ( 0.000 0.425 -3.876) 3.899 4.935 ( 0.000 1.291 -3.540) 3.768 5.084 ( 0.000 1.840 6.313) 6.575 5.202 ( 0.000 0.903 -1.840) 2.050 5.316 ( 0.000 6.315 -2.252) 6.705 5.331 ( 0.000 4.998 -1.362) 5.180 5.497 ( 0.000 2.725 2.367) 3.610 5.501 ( 0.000 1.914 2.344) 3.026 5.622 ( 0.000 2.879 2.503) 3.815 5.682 ( 0.000 3.518 -2.463) 4.294 5.735 ( 0.000 -2.613 2.314) 3.490 5.768 ( 0.000 -2.999 -0.472) 3.036 5.812 ( 0.000 -3.594 1.328) 3.831 5.821 ( 0.000 -2.690 0.267) 2.703 5.846 ( 0.000 -3.418 0.983) 3.556 5.879 ( 0.000 -0.981 -1.821) 2.068 6.005 ( 0.000 -2.694 1.053) 2.892 6.019 ( 0.000 -3.485 -0.800) 3.575 6.029 ( 0.000 -0.190 0.812) 0.834 6.065 ( 0.000 0.345 -2.004) 2.034 6.193 ( 0.000 -5.163 1.229) 5.307 6.207 ( 0.000 -4.833 -0.288) 4.842 6.268 ( 0.000 -2.318 2.097) 3.126 6.301 ( 0.000 -3.110 -0.872) 3.230 6.384 ( 0.000 -5.057 3.388) 6.087 6.429 ( 0.000 -4.201 -0.626) 4.248 6.464 ( 0.000 -3.281 0.499) 3.319 6.523 ( 0.000 -4.456 -4.240) 6.151 6.562 ( 0.000 -1.391 0.760) 1.585 6.562 ( 0.000 -3.409 1.563) 3.750 6.587 ( 0.000 -2.743 -1.447) 3.101 6.617 ( 0.000 -5.893 -3.732) 6.975 6.812 ( 0.000 -0.723 1.188) 1.391 6.820 ( 0.000 -1.266 0.461) 1.347 6.850 ( 0.000 -1.838 -1.285) 2.243 6.858 ( 0.000 -0.505 -1.914) 1.979 7.158 ( 0.000 2.856 -0.859) 2.982 7.164 ( 0.000 2.845 -1.591) 3.260 7.279 ( 0.000 3.496 0.083) 3.497 7.280 ( 0.000 3.271 0.025) 3.271 7.361 ( 0.000 4.370 2.384) 4.978 7.383 ( 0.000 3.437 -0.263) 3.448 7.411 ( 0.000 3.065 -2.176) 3.759 7.427 ( 0.000 3.041 -3.220) 4.429 9.026 ( 0.000 0.504 0.922) 1.050 9.053 ( 0.000 -1.105 -1.052) 1.525 9.080 ( 0.000 -0.181 -0.130) 0.223 9.104 ( 0.000 -0.553 -2.587) 2.646 9.125 ( 0.000 -1.826 -1.879) 2.620 9.126 ( 0.000 -2.151 -1.436) 2.587 9.272 ( 0.000 0.088 1.217) 1.220 9.294 ( 0.000 -0.297 -0.888) 0.936 9.388 ( 0.000 -0.722 -0.547) 0.906 9.389 ( 0.000 0.101 -0.372) 0.386 9.477 ( 0.000 2.447 1.169) 2.712 9.497 ( 0.000 0.760 -0.858) 1.146 9.548 ( 0.000 -0.780 0.260) 0.822 9.552 ( 0.000 0.710 0.085) 0.715 9.629 ( 0.000 -1.320 0.677) 1.483 9.635 ( 0.000 -0.150 0.352) 0.382 9.751 ( 0.000 -1.888 1.806) 2.613 9.773 ( 0.000 -2.981 -0.522) 3.026 9.808 ( 0.000 0.154 0.360) 0.392 9.816 ( 0.000 -0.956 -0.447) 1.056 9.855 ( 0.000 -0.201 -0.497) 0.536 9.857 ( 0.000 -0.929 -0.329) 0.986 9.912 ( 0.000 2.534 1.354) 2.873 9.954 ( 0.000 1.948 -1.881) 2.708 11.103 ( 0.000 2.134 0.423) 2.176 11.104 ( 0.000 2.737 0.351) 2.760 11.188 ( 0.000 4.537 1.477) 4.772 11.201 ( 0.000 3.496 0.683) 3.562 11.262 ( 0.000 -0.185 2.107) 2.115 11.273 ( 0.000 -1.586 0.171) 1.596 11.298 ( 0.000 -0.462 3.574) 3.604 11.307 ( 0.000 -1.481 3.312) 3.628 11.315 ( 0.000 0.527 1.914) 1.985 11.355 ( 0.000 -0.207 -0.934) 0.956 11.389 ( 0.000 -0.803 -0.635) 1.024 11.399 ( 0.000 -0.188 -0.483) 0.519 11.411 ( 0.000 -0.199 0.010) 0.199 11.435 ( 0.000 0.106 -1.171) 1.176 11.505 ( 0.000 2.245 -0.125) 2.248 11.521 ( 0.000 1.560 -1.275) 2.015 11.585 ( 0.000 0.500 0.488) 0.699 11.587 ( 0.000 0.724 0.228) 0.759 11.648 ( 0.000 1.378 -0.606) 1.505 11.671 ( 0.000 0.038 -2.408) 2.409 11.701 ( 0.000 2.040 2.104) 2.931 11.755 ( 0.000 2.353 -2.769) 3.634 11.830 ( 0.000 -0.883 1.479) 1.722 11.836 ( 0.000 0.306 1.020) 1.065 11.884 ( 0.000 -3.158 2.531) 4.047 11.929 ( 0.000 -3.166 -1.098) 3.351 12.011 ( 0.000 1.125 1.959) 2.259 12.039 ( 0.000 2.736 0.048) 2.737 12.093 ( 0.000 0.997 1.345) 1.674 12.103 ( 0.000 -1.642 0.432) 1.698 12.185 ( 0.000 -0.333 1.943) 1.971 12.200 ( 0.000 0.396 1.272) 1.332 12.327 ( 0.000 1.203 1.215) 1.710 12.329 ( 0.000 2.368 1.260) 2.682 12.569 ( 0.000 6.731 2.238) 7.093 12.596 ( 0.000 6.988 1.396) 7.126 12.634 ( 0.000 4.088 -2.749) 4.926 12.659 ( 0.000 3.241 -3.169) 4.533 12.773 ( 0.000 10.614 2.579) 10.923 12.868 ( 0.000 8.278 -6.302) 10.404 15.955 ( 0.000 -0.928 0.637) 1.126 15.960 ( 0.000 -0.732 0.193) 0.757 15.968 ( 0.000 -0.841 -0.000) 0.841 15.969 ( 0.000 -0.637 -0.025) 0.637 15.978 ( 0.000 -1.253 0.055) 1.254 15.987 ( 0.000 -1.090 -0.655) 1.272 15.998 ( 0.000 -1.216 0.151) 1.225 16.000 ( 0.000 -1.147 -0.142) 1.155 16.830 ( 0.000 -3.281 3.135) 4.538 16.913 ( 0.000 -4.902 -4.476) 6.638 16.984 ( 0.000 -1.986 4.028) 4.491 17.039 ( 0.000 -1.841 -0.221) 1.855 17.128 ( 0.000 -0.588 2.261) 2.336 17.138 ( 0.000 0.858 0.604) 1.050 17.181 ( 0.000 -0.260 -0.340) 0.428 17.215 ( 0.000 -1.772 -1.888) 2.589 17.304 ( 0.000 -3.613 4.610) 5.857 17.409 ( 0.000 -6.481 -5.346) 8.401 17.492 ( 0.000 -4.052 3.725) 5.504 17.526 ( 0.000 -4.375 -1.991) 4.807 17.594 ( 0.000 -6.677 -1.871) 6.935 17.640 ( 0.000 -8.052 -4.329) 9.142 17.944 ( 0.000 -5.824 7.945) 9.851 18.019 ( 0.000 4.301 -1.289) 4.490 18.081 ( 0.000 2.324 4.618) 5.170 18.241 ( 0.000 -13.398 -7.725) 15.465 18.561 ( 0.000 3.434 8.785) 9.432 18.660 ( 0.000 2.703 2.008) 3.367 18.775 ( 0.000 -0.333 -3.142) 3.160 18.851 ( 0.000 0.172 -7.625) 7.627 19.024 ( 0.000 3.560 4.759) 5.943 19.181 ( 0.000 0.503 -9.493) 9.507 ======================= Grid point 64 (28/30) ======================= q-point: ( 0.33 0.33 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -1.232 -2.617 2.750) 3.991 1.574 ( 1.400 -3.981 -3.351) 5.388 1.650 ( -0.570 9.215 8.298) 12.414 1.734 ( 1.334 3.760 2.904) 4.935 1.753 ( -0.305 3.579 3.702) 5.158 1.812 ( 0.751 2.968 -2.346) 3.857 1.850 ( -0.879 2.497 -4.170) 4.939 1.889 ( -0.690 3.817 -7.014) 8.015 1.911 ( -1.306 7.129 2.612) 7.704 1.940 ( -0.040 0.948 0.091) 0.953 2.004 ( 2.555 1.620 -6.013) 6.731 2.053 ( -1.493 6.017 -6.520) 8.997 2.094 ( -1.171 3.040 2.158) 3.908 2.137 ( 5.501 4.422 -0.338) 7.066 2.193 ( 1.486 3.705 -2.054) 4.490 2.252 ( 0.100 3.986 -4.073) 5.700 2.286 ( -3.720 5.630 -0.860) 6.803 2.317 ( -1.499 5.418 -4.179) 7.004 2.362 ( -1.318 3.396 2.804) 4.597 2.389 ( -0.612 3.344 -0.216) 3.407 2.466 ( 0.099 3.240 1.321) 3.501 2.525 ( 1.684 4.629 -3.233) 5.892 2.547 ( 1.103 3.354 3.331) 4.854 2.587 ( 1.100 0.725 0.965) 1.633 2.615 ( -3.403 2.136 0.397) 4.037 2.648 ( -0.842 1.776 2.380) 3.087 2.674 ( 1.605 0.925 -1.436) 2.344 2.723 ( -1.933 1.163 -0.991) 2.464 2.810 ( 0.485 1.618 1.519) 2.272 2.853 ( 2.240 1.199 -0.211) 2.550 2.890 ( -1.856 2.627 0.773) 3.308 2.940 ( 0.567 2.332 -2.130) 3.209 3.109 ( 2.021 -0.448 2.281) 3.080 3.126 ( 0.494 -0.090 1.231) 1.330 3.152 ( 0.469 -0.460 -0.478) 0.813 3.172 ( 1.596 -0.490 0.526) 1.751 3.213 ( -1.742 -1.000 0.226) 2.021 3.240 ( -0.755 -0.617 0.172) 0.990 3.280 ( -0.282 -0.675 -3.077) 3.163 3.292 ( -0.303 -0.102 -3.346) 3.361 3.404 ( 1.173 -2.377 3.809) 4.641 3.451 ( 1.097 -0.187 1.655) 1.994 3.472 ( -0.730 0.289 0.462) 0.911 3.497 ( -1.224 -0.638 1.529) 2.059 3.533 ( -0.370 6.647 -0.371) 6.668 3.542 ( -0.386 4.759 -2.137) 5.231 3.567 ( -0.723 0.154 1.905) 2.043 3.597 ( -3.010 -0.228 3.860) 4.900 3.614 ( -1.924 5.676 -1.465) 6.169 3.676 ( 1.751 1.589 -0.192) 2.372 3.709 ( 0.307 2.414 -2.382) 3.406 3.734 ( -0.737 0.695 -3.069) 3.232 3.802 ( 0.134 2.084 0.623) 2.180 3.864 ( 2.471 0.795 -3.939) 4.717 3.950 ( 4.343 0.883 2.287) 4.987 3.985 ( 4.506 0.622 -0.839) 4.626 4.016 ( -0.811 2.845 2.998) 4.212 4.064 ( -2.463 4.780 -0.553) 5.406 4.134 ( -1.806 3.601 0.977) 4.146 4.160 ( -1.163 4.745 -1.628) 5.149 4.233 ( -0.607 4.330 1.359) 4.579 4.260 ( -0.272 1.006 1.761) 2.046 4.283 ( -0.752 0.042 -1.173) 1.394 4.329 ( 0.235 -2.239 -2.287) 3.209 4.481 ( 0.734 -0.670 1.718) 1.985 4.490 ( 1.159 -0.072 0.750) 1.382 4.518 ( -1.261 0.159 0.848) 1.528 4.536 ( -0.279 -0.549 -1.173) 1.324 4.662 ( -1.623 0.177 0.645) 1.755 4.695 ( -0.710 0.209 -2.494) 2.602 4.775 ( 1.590 1.218 1.333) 2.406 4.788 ( 0.949 1.989 1.106) 2.466 4.801 ( -0.029 3.193 0.902) 3.318 4.840 ( 0.110 2.025 0.279) 2.047 4.857 ( 0.298 -0.296 2.683) 2.715 4.873 ( -0.469 0.306 1.853) 1.936 4.902 ( -1.081 2.027 -2.944) 3.734 4.949 ( 0.552 0.394 -4.272) 4.325 5.090 ( 0.388 1.704 5.844) 6.100 5.196 ( -0.384 1.549 -1.456) 2.161 5.319 ( 0.204 6.393 -1.855) 6.659 5.337 ( 0.409 3.851 -1.782) 4.263 5.479 ( -0.562 2.597 4.602) 5.314 5.533 ( 1.545 2.804 -0.599) 3.257 5.620 ( -0.148 2.211 3.477) 4.123 5.685 ( 0.270 1.458 -2.408) 2.828 5.733 ( -0.201 -1.770 2.555) 3.115 5.774 ( 0.323 -2.023 0.069) 2.049 5.784 ( -1.076 -2.017 0.204) 2.296 5.829 ( -0.168 -1.004 -1.846) 2.108 5.843 ( -0.047 -3.619 2.606) 4.460 5.899 ( 1.287 -3.440 -1.854) 4.114 5.991 ( -1.037 -3.135 1.320) 3.556 6.010 ( -0.164 -0.798 0.999) 1.289 6.022 ( -0.738 -2.115 -0.387) 2.273 6.072 ( 0.328 -0.854 -2.921) 3.061 6.211 ( 1.572 -4.398 1.182) 4.817 6.225 ( 1.728 -4.280 -0.140) 4.618 6.246 ( -1.662 -3.314 1.924) 4.176 6.281 ( -1.985 -3.361 -1.174) 4.077 6.392 ( 0.825 -5.029 3.301) 6.072 6.434 ( -0.796 -4.515 1.609) 4.859 6.449 ( 0.661 -2.868 -1.031) 3.118 6.493 ( -2.864 -3.493 -2.142) 5.000 6.562 ( 0.372 -1.986 0.820) 2.180 6.574 ( 0.302 -2.032 1.157) 2.358 6.602 ( 2.492 -4.295 -2.684) 5.645 6.635 ( -0.238 -5.333 -4.084) 6.721 6.807 ( -0.303 -0.871 1.178) 1.496 6.828 ( 0.802 -1.181 0.373) 1.475 6.845 ( -0.450 -1.474 -1.427) 2.100 6.859 ( -0.074 -0.998 -1.621) 1.905 7.157 ( -0.031 2.856 -0.432) 2.889 7.171 ( 0.431 2.540 -2.002) 3.263 7.273 ( -0.353 3.572 0.388) 3.610 7.279 ( -0.100 3.501 -0.372) 3.522 7.364 ( 0.230 4.488 2.001) 4.920 7.379 ( -0.293 3.135 0.709) 3.227 7.413 ( 0.171 3.750 -2.648) 4.594 7.425 ( -0.140 2.695 -3.116) 4.122 9.018 ( -0.423 0.131 0.707) 0.835 9.052 ( 0.044 -1.177 -2.309) 2.592 9.066 ( -0.631 -0.524 -0.410) 0.917 9.092 ( -1.105 -1.141 -2.793) 3.213 9.161 ( 4.002 -1.110 0.588) 4.194 9.179 ( 4.215 -1.560 -1.239) 4.662 9.239 ( -3.583 -0.785 0.893) 3.775 9.259 ( -3.756 -0.817 -0.987) 3.968 9.379 ( -0.246 0.162 -0.101) 0.311 9.390 ( 0.098 0.530 -0.925) 1.071 9.479 ( 0.161 3.288 1.624) 3.670 9.507 ( 0.759 1.864 -1.037) 2.264 9.548 ( -0.165 -1.206 0.228) 1.239 9.555 ( 0.047 -0.816 -0.374) 0.898 9.613 ( -0.956 -0.731 1.062) 1.605 9.627 ( -0.412 -0.415 -0.265) 0.642 9.752 ( -0.098 -0.580 2.587) 2.653 9.793 ( 1.499 -2.508 -0.293) 2.937 9.811 ( -0.114 -1.720 0.035) 1.724 9.827 ( 1.340 -0.476 -1.085) 1.789 9.846 ( -0.628 -1.372 -0.394) 1.560 9.856 ( -0.636 -1.188 -1.161) 1.778 9.909 ( -0.034 3.300 2.383) 4.071 9.960 ( 0.361 2.558 -2.035) 3.289 11.114 ( 0.749 2.056 0.959) 2.389 11.125 ( 1.652 2.525 -0.100) 3.019 11.182 ( -0.584 3.960 2.393) 4.663 11.214 ( 1.197 3.997 -0.218) 4.178 11.255 ( -0.527 -0.434 1.589) 1.729 11.273 ( -0.270 -1.305 -0.076) 1.334 11.291 ( -0.210 -0.989 3.464) 3.608 11.305 ( 0.518 0.233 2.760) 2.818 11.329 ( -0.610 -0.470 2.726) 2.832 11.346 ( -0.189 -0.156 -0.674) 0.718 11.359 ( -1.471 -0.081 0.069) 1.474 11.382 ( -1.361 -1.253 -1.803) 2.583 11.404 ( -0.813 1.133 -0.118) 1.400 11.431 ( 1.142 -0.192 -1.242) 1.699 11.477 ( -2.464 0.507 1.439) 2.899 11.521 ( -0.580 -1.000 -1.451) 1.856 11.609 ( 2.123 1.684 0.563) 2.767 11.625 ( 2.768 2.155 -0.614) 3.562 11.645 ( -0.186 0.333 0.202) 0.432 11.668 ( -0.558 -0.865 -1.138) 1.534 11.717 ( 1.500 3.606 1.890) 4.339 11.774 ( 1.619 1.596 -2.309) 3.240 11.789 ( -2.647 2.378 1.119) 3.729 11.836 ( -1.905 0.131 -2.056) 2.806 11.885 ( 0.892 -2.765 2.934) 4.129 11.935 ( 0.588 -4.500 -1.511) 4.784 12.004 ( -1.315 1.491 3.988) 4.456 12.044 ( 1.408 1.051 1.852) 2.553 12.078 ( -1.947 0.447 0.583) 2.081 12.114 ( 1.240 -0.865 -0.920) 1.770 12.200 ( 1.778 0.223 4.522) 4.864 12.249 ( 2.786 0.211 -0.372) 2.818 12.322 ( 0.310 2.673 0.928) 2.847 12.347 ( 1.552 2.880 -1.005) 3.423 12.462 ( -5.712 3.456 2.714) 7.207 12.516 ( -5.368 1.735 -1.759) 5.909 12.687 ( 4.108 9.297 2.339) 10.430 12.745 ( 0.520 9.440 1.315) 9.546 12.775 ( 3.082 6.684 -3.344) 8.084 12.846 ( -2.432 7.528 -5.771) 9.792 15.955 ( 0.050 -0.830 0.546) 0.995 15.960 ( -0.007 -0.876 0.532) 1.024 15.966 ( -0.064 -0.718 -0.262) 0.767 15.971 ( 0.053 -0.643 -0.193) 0.674 15.978 ( 0.031 -1.365 0.162) 1.374 15.988 ( 0.098 -1.212 -0.655) 1.381 15.996 ( -0.137 -1.160 0.248) 1.194 16.000 ( -0.013 -1.066 -0.185) 1.082 16.854 ( 2.431 -2.962 3.674) 5.309 16.930 ( -2.638 -1.973 2.894) 4.385 16.950 ( 2.107 -4.099 -3.955) 6.073 17.014 ( -2.835 -1.953 -3.384) 4.828 17.130 ( 0.092 -1.677 2.508) 3.018 17.156 ( 0.803 -1.979 2.807) 3.527 17.170 ( 0.032 -2.096 0.088) 2.098 17.232 ( -0.137 -1.688 -2.671) 3.163 17.302 ( -0.035 -2.994 2.572) 3.947 17.367 ( -2.277 -3.621 -2.204) 4.812 17.384 ( -3.442 -2.778 3.847) 5.862 17.502 ( -2.274 -6.012 -5.854) 8.694 17.740 ( 10.974 -5.720 1.323) 12.446 17.771 ( 9.150 -6.237 -1.603) 11.189 17.891 ( -5.446 -5.618 4.118) 8.842 17.938 ( -8.045 -0.880 -0.862) 8.139 18.130 ( 3.728 2.524 6.824) 8.175 18.309 ( 5.943 -7.431 -7.791) 12.298 18.438 ( -7.684 1.469 5.845) 9.765 18.588 ( -6.901 -2.478 -6.252) 9.636 18.832 ( 7.213 3.219 6.168) 10.022 18.951 ( -0.202 4.234 3.962) 5.802 19.013 ( 3.807 0.569 -6.077) 7.194 19.137 ( -4.525 0.659 -9.219) 10.291 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.00 0.44 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 -1.533 -1.163) 1.924 1.477 ( 0.000 -2.536 -2.161) 3.332 1.741 ( 0.000 1.624 -0.609) 1.734 1.756 ( 0.000 0.489 -1.327) 1.415 1.836 ( 0.000 0.985 1.994) 2.224 1.837 ( 0.000 0.922 1.409) 1.684 1.922 ( 0.000 3.522 0.351) 3.539 1.946 ( 0.000 -0.093 -2.592) 2.593 1.957 ( 0.000 2.673 -0.999) 2.853 1.988 ( 0.000 1.003 -3.109) 3.266 2.097 ( 0.000 4.126 0.174) 4.130 2.130 ( 0.000 1.315 -0.074) 1.317 2.180 ( 0.000 2.524 -3.241) 4.108 2.186 ( 0.000 3.854 -6.174) 7.278 2.271 ( 0.000 -0.065 -0.743) 0.746 2.275 ( 0.000 1.391 -0.942) 1.680 2.370 ( 0.000 1.129 1.117) 1.589 2.377 ( 0.000 0.565 2.057) 2.133 2.472 ( 0.000 4.740 1.465) 4.961 2.502 ( 0.000 3.963 -1.739) 4.327 2.533 ( 0.000 1.221 1.781) 2.159 2.545 ( 0.000 1.106 2.151) 2.418 2.576 ( 0.000 -1.225 -1.074) 1.629 2.600 ( 0.000 0.810 -2.091) 2.242 2.618 ( 0.000 1.017 2.080) 2.315 2.679 ( 0.000 1.640 -0.019) 1.640 2.713 ( 0.000 -2.248 -1.074) 2.492 2.715 ( 0.000 0.773 -0.535) 0.940 2.823 ( 0.000 1.881 -0.932) 2.099 2.846 ( 0.000 0.066 -2.010) 2.012 2.943 ( 0.000 1.260 0.841) 1.515 2.963 ( 0.000 1.409 -1.788) 2.276 3.064 ( 0.000 -0.375 -0.012) 0.375 3.071 ( 0.000 -3.195 -0.281) 3.208 3.119 ( 0.000 -3.233 1.072) 3.406 3.144 ( 0.000 -5.874 -0.073) 5.874 3.196 ( 0.000 1.838 -1.136) 2.160 3.199 ( 0.000 0.730 0.146) 0.745 3.253 ( 0.000 -1.936 1.062) 2.208 3.272 ( 0.000 -4.059 -0.344) 4.073 3.342 ( 0.000 -0.466 0.668) 0.815 3.360 ( 0.000 -2.304 -0.560) 2.371 3.482 ( 0.000 0.494 2.223) 2.277 3.504 ( 0.000 1.392 0.957) 1.690 3.548 ( 0.000 -2.871 3.109) 4.232 3.589 ( 0.000 -2.201 0.318) 2.223 3.606 ( 0.000 0.322 1.218) 1.260 3.607 ( 0.000 -0.906 0.070) 0.909 3.684 ( 0.000 1.772 0.780) 1.936 3.720 ( 0.000 0.063 -2.068) 2.069 3.734 ( 0.000 0.909 0.321) 0.964 3.749 ( 0.000 -2.309 -0.996) 2.515 3.839 ( 0.000 2.015 -4.670) 5.086 3.841 ( 0.000 2.163 -4.463) 4.959 4.010 ( 0.000 6.002 1.626) 6.218 4.029 ( 0.000 4.964 0.025) 4.964 4.095 ( 0.000 4.912 2.209) 5.386 4.135 ( 0.000 1.665 -1.233) 2.072 4.227 ( 0.000 -0.356 0.769) 0.847 4.236 ( 0.000 -2.653 0.901) 2.802 4.244 ( 0.000 2.918 1.719) 3.387 4.285 ( 0.000 -0.580 -0.732) 0.934 4.361 ( 0.000 3.903 1.487) 4.176 4.376 ( 0.000 2.806 0.340) 2.827 4.469 ( 0.000 0.894 0.377) 0.971 4.472 ( 0.000 0.441 0.260) 0.512 4.525 ( 0.000 -0.759 -0.217) 0.789 4.528 ( 0.000 -0.820 -0.801) 1.146 4.698 ( 0.000 0.058 0.954) 0.956 4.713 ( 0.000 -1.219 -0.585) 1.352 4.744 ( 0.000 0.129 1.168) 1.175 4.749 ( 0.000 -0.082 0.446) 0.453 4.864 ( 0.000 1.043 2.791) 2.979 4.868 ( 0.000 1.212 2.984) 3.221 4.900 ( 0.000 1.944 1.389) 2.390 4.906 ( 0.000 1.628 1.623) 2.298 4.971 ( 0.000 1.613 -3.609) 3.953 4.972 ( 0.000 1.992 -4.272) 4.713 5.132 ( 0.000 2.325 4.861) 5.388 5.174 ( 0.000 -1.853 1.581) 2.436 5.470 ( 0.000 6.965 0.015) 6.965 5.492 ( 0.000 6.928 -2.384) 7.326 5.564 ( 0.000 3.930 0.918) 4.036 5.573 ( 0.000 3.561 0.625) 3.615 5.656 ( 0.000 -0.662 3.272) 3.339 5.660 ( 0.000 -3.772 1.767) 4.166 5.718 ( 0.000 -1.110 -0.342) 1.161 5.739 ( 0.000 0.330 0.975) 1.029 5.771 ( 0.000 -1.718 -0.151) 1.724 5.772 ( 0.000 -2.451 0.259) 2.465 5.786 ( 0.000 0.223 -0.631) 0.669 5.856 ( 0.000 -4.390 -3.947) 5.903 5.954 ( 0.000 1.532 1.425) 2.092 5.982 ( 0.000 0.032 -1.190) 1.190 6.060 ( 0.000 -0.340 0.273) 0.436 6.063 ( 0.000 1.983 -0.558) 2.060 6.125 ( 0.000 -2.483 0.099) 2.485 6.132 ( 0.000 -0.937 -0.964) 1.344 6.223 ( 0.000 -3.586 0.836) 3.682 6.226 ( 0.000 -1.789 0.552) 1.872 6.284 ( 0.000 -3.030 -1.064) 3.212 6.299 ( 0.000 -6.000 -2.400) 6.462 6.397 ( 0.000 -1.952 0.479) 2.010 6.430 ( 0.000 -4.336 -2.711) 5.113 6.520 ( 0.000 -0.565 0.462) 0.730 6.530 ( 0.000 -1.689 -0.563) 1.781 6.543 ( 0.000 -0.722 0.217) 0.754 6.548 ( 0.000 -1.151 -0.261) 1.180 6.806 ( 0.000 -0.198 0.752) 0.777 6.806 ( 0.000 -0.097 1.184) 1.188 6.834 ( 0.000 0.168 -1.037) 1.050 6.846 ( 0.000 -0.725 -1.665) 1.816 7.198 ( 0.000 0.990 -0.934) 1.361 7.200 ( 0.000 0.759 -1.206) 1.424 7.322 ( 0.000 0.973 0.142) 0.984 7.323 ( 0.000 0.898 0.057) 0.900 7.418 ( 0.000 1.250 1.366) 1.852 7.422 ( 0.000 0.756 0.810) 1.108 7.461 ( 0.000 1.733 -1.609) 2.364 7.471 ( 0.000 0.902 -2.332) 2.501 9.039 ( 0.000 0.641 -0.020) 0.641 9.044 ( 0.000 0.067 -0.502) 0.507 9.078 ( 0.000 -0.553 -0.991) 1.135 9.079 ( 0.000 -1.172 -0.965) 1.518 9.094 ( 0.000 -0.291 -0.742) 0.797 9.103 ( 0.000 -0.697 -1.789) 1.920 9.273 ( 0.000 0.263 0.594) 0.650 9.282 ( 0.000 -0.602 -0.294) 0.670 9.374 ( 0.000 -0.411 -1.210) 1.278 9.377 ( 0.000 -0.651 -1.292) 1.447 9.496 ( 0.000 0.033 0.110) 0.115 9.498 ( 0.000 0.097 0.090) 0.132 9.532 ( 0.000 -0.422 -0.080) 0.430 9.542 ( 0.000 -1.155 -0.781) 1.394 9.625 ( 0.000 0.152 0.705) 0.722 9.632 ( 0.000 -0.414 0.003) 0.414 9.725 ( 0.000 -0.241 1.275) 1.297 9.730 ( 0.000 -0.788 0.481) 0.924 9.810 ( 0.000 0.593 0.510) 0.782 9.821 ( 0.000 0.084 -0.217) 0.233 9.861 ( 0.000 0.660 -0.336) 0.740 9.867 ( 0.000 0.392 -0.662) 0.769 9.973 ( 0.000 2.429 1.517) 2.864 9.991 ( 0.000 0.801 0.070) 0.804 11.139 ( 0.000 1.203 0.373) 1.259 11.145 ( 0.000 0.825 -0.257) 0.864 11.229 ( 0.000 0.211 0.875) 0.900 11.236 ( 0.000 -0.215 0.552) 0.592 11.254 ( 0.000 -0.180 2.491) 2.497 11.254 ( 0.000 -0.255 3.283) 3.293 11.297 ( 0.000 0.886 2.596) 2.743 11.312 ( 0.000 -0.038 2.087) 2.087 11.341 ( 0.000 2.020 -0.868) 2.198 11.356 ( 0.000 -0.085 -1.635) 1.638 11.382 ( 0.000 -0.010 -0.399) 0.399 11.387 ( 0.000 1.049 0.327) 1.099 11.413 ( 0.000 -0.441 0.427) 0.614 11.414 ( 0.000 -1.611 0.025) 1.611 11.523 ( 0.000 -0.030 0.108) 0.112 11.528 ( 0.000 -0.497 -0.337) 0.600 11.601 ( 0.000 0.667 -0.926) 1.141 11.601 ( 0.000 0.579 -0.828) 1.010 11.671 ( 0.000 0.612 -0.275) 0.671 11.674 ( 0.000 0.129 -0.314) 0.339 11.720 ( 0.000 0.116 1.541) 1.545 11.735 ( 0.000 -1.551 0.232) 1.568 11.824 ( 0.000 -1.092 0.274) 1.126 11.836 ( 0.000 -1.896 -0.885) 2.092 11.882 ( 0.000 2.142 0.821) 2.294 11.895 ( 0.000 0.998 -0.504) 1.118 12.033 ( 0.000 0.874 2.208) 2.374 12.053 ( 0.000 -0.949 0.587) 1.116 12.104 ( 0.000 1.351 1.361) 1.918 12.117 ( 0.000 0.508 -0.260) 0.571 12.182 ( 0.000 0.440 2.601) 2.638 12.198 ( 0.000 -0.620 0.885) 1.080 12.348 ( 0.000 0.808 1.953) 2.113 12.354 ( 0.000 0.331 1.566) 1.601 12.664 ( 0.000 2.679 0.384) 2.706 12.678 ( 0.000 1.325 -0.917) 1.611 12.710 ( 0.000 2.750 -0.209) 2.758 12.719 ( 0.000 1.770 -1.156) 2.114 12.957 ( 0.000 6.001 -0.320) 6.010 12.991 ( 0.000 2.700 -3.461) 4.389 15.942 ( 0.000 -0.251 0.702) 0.746 15.946 ( 0.000 -0.562 0.541) 0.780 15.956 ( 0.000 -0.342 -0.293) 0.451 15.956 ( 0.000 -0.385 -0.496) 0.628 15.966 ( 0.000 -0.125 -0.111) 0.167 15.970 ( 0.000 -0.525 -0.429) 0.678 15.983 ( 0.000 -0.314 0.085) 0.326 15.984 ( 0.000 -0.451 -0.143) 0.473 16.788 ( 0.000 -0.451 0.426) 0.620 16.820 ( 0.000 -3.494 -2.607) 4.359 16.976 ( 0.000 1.570 1.948) 2.501 17.017 ( 0.000 -0.631 -1.564) 1.686 17.090 ( 0.000 -2.253 1.607) 2.767 17.126 ( 0.000 -3.516 -1.398) 3.784 17.177 ( 0.000 0.232 0.197) 0.304 17.184 ( 0.000 -0.265 -0.304) 0.403 17.272 ( 0.000 0.598 -0.195) 0.629 17.300 ( 0.000 -2.823 -2.769) 3.954 17.425 ( 0.000 -1.748 3.391) 3.815 17.429 ( 0.000 -3.251 0.466) 3.284 17.469 ( 0.000 -3.524 -1.144) 3.705 17.497 ( 0.000 -5.002 -1.681) 5.276 17.828 ( 0.000 -1.659 3.833) 4.176 17.905 ( 0.000 -8.733 -3.461) 9.394 18.172 ( 0.000 3.033 0.692) 3.111 18.181 ( 0.000 1.813 -0.128) 1.818 18.649 ( 0.000 4.031 2.602) 4.798 18.698 ( 0.000 -0.371 -2.110) 2.142 18.811 ( 0.000 3.024 1.685) 3.462 18.853 ( 0.000 -0.713 -2.292) 2.401 19.115 ( 0.000 4.234 1.992) 4.679 19.175 ( 0.000 -1.502 -3.795) 4.082 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.33 0.44 0.40) 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -1.030 -1.802 -0.259) 2.092 1.500 ( 0.827 -2.168 -5.676) 6.132 1.734 ( 0.060 0.558 3.650) 3.693 1.786 ( 0.829 0.891 -0.096) 1.221 1.808 ( -0.393 1.679 3.495) 3.897 1.854 ( 0.754 0.659 -0.894) 1.343 1.892 ( -2.189 2.788 -0.035) 3.545 1.934 ( -0.588 -0.343 -0.906) 1.134 1.971 ( 0.679 2.887 -5.531) 6.276 2.013 ( 2.538 0.301 -4.746) 5.390 2.079 ( -1.231 4.579 1.418) 4.949 2.133 ( -2.416 1.485 0.997) 3.007 2.157 ( -1.158 2.951 -4.459) 5.471 2.201 ( -0.352 0.134 -4.670) 4.685 2.261 ( 4.737 4.327 2.756) 6.982 2.327 ( 4.434 1.256 -2.400) 5.196 2.392 ( -3.183 3.329 0.800) 4.675 2.406 ( -0.189 1.967 -0.764) 2.119 2.420 ( -0.433 2.965 1.335) 3.280 2.470 ( -3.135 2.286 -2.799) 4.785 2.526 ( 0.453 0.374 3.085) 3.140 2.545 ( -0.749 0.304 1.931) 2.093 2.571 ( 2.575 -1.016 0.652) 2.844 2.612 ( 0.427 3.552 -3.763) 5.193 2.628 ( -2.022 -0.567 1.302) 2.470 2.678 ( 1.283 -0.396 -0.748) 1.537 2.696 ( 0.114 2.887 1.761) 3.384 2.731 ( -0.519 -0.256 -0.146) 0.597 2.854 ( 2.004 2.032 -0.429) 2.886 2.874 ( 2.910 0.500 -0.856) 3.074 2.926 ( -1.955 0.987 -0.733) 2.310 2.947 ( -1.437 -0.534 -2.305) 2.768 3.066 ( 0.423 -1.684 0.598) 1.836 3.073 ( 0.637 -2.844 0.618) 2.979 3.112 ( -0.135 -3.454 -0.817) 3.552 3.133 ( -1.631 -2.428 -0.561) 2.978 3.173 ( -1.316 -0.795 0.764) 1.717 3.218 ( 1.220 -0.132 0.353) 1.277 3.236 ( -0.472 -1.960 0.049) 2.017 3.265 ( -1.485 -4.049 -2.845) 5.167 3.344 ( 0.684 -0.835 2.662) 2.872 3.396 ( 2.342 -1.445 -0.952) 2.912 3.424 ( -2.786 -1.699 2.938) 4.391 3.452 ( -3.785 -1.093 0.278) 3.949 3.552 ( -0.382 -0.752 4.663) 4.738 3.571 ( 0.080 1.267 1.087) 1.671 3.605 ( 0.041 -0.801 -0.666) 1.043 3.649 ( 0.662 -0.024 -3.308) 3.373 3.679 ( -0.116 2.431 1.532) 2.876 3.738 ( 0.999 1.856 -1.780) 2.759 3.751 ( 0.454 -0.244 0.642) 0.823 3.768 ( 2.200 -0.499 -0.812) 2.398 3.833 ( 0.492 1.222 -0.985) 1.645 3.892 ( 2.576 1.528 -4.983) 5.814 4.022 ( 0.180 4.080 0.675) 4.140 4.030 ( 2.161 2.803 -0.182) 3.544 4.095 ( -0.897 4.352 1.338) 4.641 4.115 ( -3.148 2.136 -0.289) 3.815 4.198 ( -1.446 1.160 1.940) 2.683 4.225 ( 0.706 0.572 -0.514) 1.044 4.255 ( 0.411 0.245 1.502) 1.577 4.286 ( -0.165 -1.076 -0.894) 1.409 4.359 ( -0.499 3.996 1.179) 4.196 4.373 ( -0.195 3.170 0.082) 3.177 4.475 ( 0.775 0.635 1.702) 1.975 4.492 ( 1.324 0.439 0.057) 1.396 4.520 ( -0.437 -0.233 0.145) 0.516 4.524 ( -0.453 -0.580 -0.329) 0.806 4.665 ( -1.615 0.216 0.728) 1.785 4.689 ( -1.143 -0.218 -1.618) 1.993 4.782 ( 2.530 0.102 2.099) 3.289 4.794 ( 3.197 -0.413 0.970) 3.366 4.833 ( -2.101 -0.065 2.268) 3.093 4.855 ( -2.216 0.706 0.230) 2.337 4.894 ( -0.053 2.529 3.423) 4.256 4.914 ( 0.338 1.898 1.607) 2.509 4.972 ( 0.016 2.280 -3.700) 4.346 4.977 ( 0.326 1.165 -3.898) 4.081 5.132 ( 0.019 2.278 4.982) 5.478 5.175 ( 0.055 -1.814 1.603) 2.421 5.466 ( -0.216 6.407 -0.558) 6.435 5.486 ( -0.364 6.158 -2.841) 6.791 5.552 ( -0.309 4.445 3.285) 5.536 5.598 ( 1.228 2.514 -0.722) 2.890 5.647 ( -0.330 0.034 2.903) 2.922 5.679 ( 1.142 -1.915 1.135) 2.502 5.710 ( -0.706 -0.264 1.437) 1.623 5.747 ( 0.561 -1.404 1.849) 2.389 5.761 ( -0.559 -1.765 0.482) 1.913 5.777 ( -0.323 -0.747 -0.008) 0.814 5.794 ( 1.450 -2.778 -2.455) 3.981 5.842 ( -1.329 -2.845 -3.717) 4.866 5.969 ( 1.405 1.849 0.752) 2.442 5.992 ( 1.093 0.782 -1.532) 2.037 6.028 ( -2.597 1.269 -0.345) 2.911 6.047 ( -1.312 -1.141 -1.674) 2.414 6.133 ( 1.003 -3.152 1.581) 3.666 6.164 ( 2.270 -2.056 -0.688) 3.139 6.193 ( -1.587 -1.109 0.479) 1.994 6.212 ( -1.995 -2.482 -0.919) 3.314 6.279 ( 0.327 -3.938 1.759) 4.326 6.334 ( 1.930 -5.056 -2.845) 6.113 6.376 ( -1.650 -2.026 0.686) 2.701 6.411 ( -1.227 -3.641 -2.300) 4.478 6.536 ( 0.969 -0.514 0.221) 1.119 6.542 ( 1.177 -1.190 -0.367) 1.713 6.548 ( 0.234 -0.775 0.055) 0.812 6.556 ( 0.163 -1.870 -0.789) 2.037 6.796 ( -0.393 -0.240 1.045) 1.142 6.815 ( 0.492 -0.210 0.781) 0.947 6.827 ( -0.555 -0.335 -1.152) 1.321 6.848 ( 0.084 -0.214 -1.501) 1.518 7.196 ( -0.060 1.015 -0.758) 1.269 7.202 ( 0.112 0.596 -1.363) 1.491 7.319 ( -0.160 0.986 0.439) 1.091 7.325 ( 0.094 1.070 -0.157) 1.086 7.414 ( -0.124 0.811 1.374) 1.600 7.430 ( 0.459 1.507 1.221) 1.994 7.458 ( -0.208 1.096 -2.259) 2.519 7.469 ( -0.128 1.173 -2.130) 2.435 9.024 ( -0.268 0.309 -0.203) 0.456 9.036 ( 0.093 -0.459 -1.381) 1.458 9.061 ( -1.432 0.054 -0.973) 1.732 9.071 ( -1.586 -0.726 -1.907) 2.585 9.145 ( 4.689 -0.387 0.222) 4.710 9.153 ( 4.782 -0.795 -0.524) 4.876 9.231 ( -4.185 0.050 0.619) 4.231 9.242 ( -4.011 -0.652 -0.413) 4.084 9.376 ( 0.174 -0.082 -0.867) 0.888 9.383 ( 0.356 -0.653 -1.471) 1.648 9.504 ( 0.682 0.088 0.294) 0.748 9.510 ( 1.006 -0.412 -0.037) 1.087 9.527 ( -0.597 -0.361 -0.327) 0.771 9.535 ( -0.638 -0.898 -0.807) 1.365 9.604 ( -0.991 -0.415 1.451) 1.805 9.625 ( -0.529 -0.312 -0.616) 0.870 9.755 ( 2.397 -0.007 1.673) 2.923 9.768 ( 2.711 0.462 1.140) 2.977 9.802 ( -0.081 0.854 0.423) 0.956 9.831 ( -0.509 -0.411 -0.032) 0.655 9.837 ( -1.774 0.742 -1.657) 2.538 9.851 ( -1.002 -0.254 -1.410) 1.748 9.978 ( 0.446 2.498 2.129) 3.313 10.001 ( 0.544 0.808 0.073) 0.977 11.142 ( 0.340 0.806 0.676) 1.106 11.157 ( 0.804 0.358 -0.637) 1.086 11.234 ( 0.189 0.769 2.155) 2.296 11.237 ( 0.370 -0.072 1.300) 1.354 11.252 ( -0.151 -0.049 0.925) 0.939 11.260 ( -0.083 -0.434 2.756) 2.792 11.294 ( 1.048 0.209 0.991) 1.458 11.313 ( -0.791 1.017 2.352) 2.682 11.321 ( -1.065 -0.326 -0.093) 1.118 11.347 ( -1.968 -0.341 0.513) 2.062 11.374 ( 0.378 2.013 -0.359) 2.079 11.387 ( 0.179 2.250 -0.668) 2.354 11.415 ( 1.147 -0.466 0.674) 1.410 11.431 ( 0.896 -0.712 -0.553) 1.271 11.470 ( -3.491 -0.829 -0.180) 3.592 11.483 ( -3.009 -1.908 -0.843) 3.661 11.609 ( 0.635 -0.550 0.671) 1.075 11.634 ( 1.316 -0.192 -1.498) 2.004 11.664 ( -0.397 0.849 0.533) 1.078 11.673 ( 0.075 0.921 -0.454) 1.030 11.761 ( 3.352 -0.159 1.356) 3.620 11.777 ( 3.111 0.234 0.241) 3.129 11.822 ( -0.873 -1.164 -0.297) 1.485 11.834 ( -0.873 -1.196 -1.157) 1.879 11.869 ( -0.503 1.023 1.183) 1.643 11.889 ( -0.639 1.285 -1.030) 1.767 12.029 ( -1.101 0.792 4.205) 4.418 12.059 ( 0.277 0.602 1.406) 1.554 12.073 ( 0.541 -0.676 0.444) 0.973 12.111 ( -1.892 0.102 -1.472) 2.400 12.216 ( 2.955 1.122 3.104) 4.430 12.245 ( 2.268 -0.522 1.014) 2.539 12.369 ( 2.715 1.525 1.259) 3.359 12.383 ( 3.519 0.583 0.255) 3.576 12.515 ( -8.484 1.707 0.798) 8.691 12.532 ( -7.989 0.100 -0.481) 8.004 12.833 ( 6.730 4.423 0.389) 8.063 12.857 ( 6.975 2.085 -1.782) 7.495 12.928 ( -3.118 5.528 -0.435) 6.361 12.959 ( -3.608 2.572 -3.172) 5.449 15.944 ( 0.167 -0.247 0.598) 0.668 15.946 ( -0.014 -0.452 0.518) 0.688 15.954 ( -0.041 -0.390 -0.152) 0.421 15.955 ( -0.085 -0.451 -0.344) 0.574 15.965 ( -0.011 -0.172 -0.229) 0.287 15.970 ( 0.034 -0.498 -0.516) 0.718 15.981 ( -0.108 -0.357 0.171) 0.410 15.985 ( 0.020 -0.419 -0.209) 0.468 16.818 ( 2.970 -0.135 0.648) 3.043 16.857 ( 3.666 -3.746 -3.051) 6.065 16.918 ( -4.535 0.728 1.253) 4.761 16.965 ( -4.541 -2.663 -3.148) 6.134 17.092 ( -0.532 -1.165 1.334) 1.850 17.111 ( -0.880 -2.402 -0.362) 2.583 17.139 ( -1.531 -0.024 2.226) 2.702 17.185 ( -0.771 -2.414 -1.572) 2.982 17.294 ( 1.432 1.961 0.410) 2.463 17.326 ( 1.437 -0.619 -2.404) 2.868 17.351 ( -1.532 -0.404 2.199) 2.710 17.401 ( -1.442 -2.940 -2.367) 4.041 17.567 ( 5.743 -6.655 3.396) 9.424 17.625 ( 8.080 -5.737 -1.853) 10.082 17.792 ( -3.688 -2.055 3.046) 5.206 17.839 ( -5.179 -5.174 -1.365) 7.447 18.219 ( 4.337 3.089 1.862) 5.641 18.273 ( 7.793 0.736 -2.976) 8.374 18.498 ( -10.000 2.588 2.783) 10.698 18.565 ( -8.312 -0.414 -3.309) 8.956 18.924 ( 7.407 4.306 2.799) 9.013 18.986 ( 8.004 -1.065 -2.993) 8.611 19.075 ( -3.941 4.200 2.197) 6.164 19.134 ( -4.086 -1.372 -3.376) 5.475 =================== 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 3/29160 10.0 338.926 317.302 375.683 0.000 0.000 0.000 3/29160 20.0 27.738 35.091 33.735 0.000 0.000 0.000 3/29160 30.0 8.601 11.667 10.677 0.000 0.000 0.000 3/29160 40.0 4.358 6.100 5.399 0.000 0.000 0.000 3/29160 50.0 2.772 3.952 3.416 0.000 0.000 0.000 3/29160 60.0 1.998 2.883 2.451 0.000 0.000 0.000 3/29160 70.0 1.555 2.263 1.900 0.000 0.000 0.000 3/29160 80.0 1.272 1.864 1.551 0.000 0.000 0.000 3/29160 90.0 1.077 1.588 1.313 0.000 0.000 0.000 3/29160 100.0 0.937 1.387 1.140 0.000 0.000 0.000 3/29160 110.0 0.830 1.234 1.009 0.000 0.000 0.000 3/29160 120.0 0.747 1.115 0.908 0.000 0.000 0.000 3/29160 130.0 0.680 1.018 0.827 0.000 0.000 0.000 3/29160 140.0 0.625 0.939 0.760 0.000 0.000 0.000 3/29160 150.0 0.579 0.872 0.704 0.000 0.000 0.000 3/29160 160.0 0.540 0.816 0.658 0.000 0.000 0.000 3/29160 170.0 0.507 0.767 0.617 0.000 0.000 0.000 3/29160 180.0 0.477 0.724 0.582 0.000 0.000 0.000 3/29160 190.0 0.452 0.687 0.552 0.000 0.000 0.000 3/29160 200.0 0.429 0.653 0.524 0.000 0.000 0.000 3/29160 210.0 0.409 0.623 0.500 0.000 0.000 0.000 3/29160 220.0 0.390 0.596 0.478 0.000 0.000 0.000 3/29160 230.0 0.374 0.572 0.458 0.000 0.000 0.000 3/29160 240.0 0.359 0.549 0.440 0.000 0.000 0.000 3/29160 250.0 0.345 0.529 0.424 0.000 0.000 0.000 3/29160 260.0 0.332 0.510 0.408 0.000 0.000 0.000 3/29160 270.0 0.320 0.492 0.394 0.000 0.000 0.000 3/29160 280.0 0.309 0.476 0.381 0.000 0.000 0.000 3/29160 290.0 0.299 0.460 0.369 0.000 0.000 0.000 3/29160 300.0 0.289 0.446 0.358 0.000 0.000 0.000 3/29160 310.0 0.280 0.433 0.347 0.000 0.000 0.000 3/29160 320.0 0.272 0.420 0.337 0.000 0.000 0.000 3/29160 330.0 0.264 0.408 0.327 0.000 0.000 0.000 3/29160 340.0 0.257 0.397 0.318 0.000 0.000 0.000 3/29160 350.0 0.250 0.387 0.310 0.000 0.000 0.000 3/29160 360.0 0.243 0.377 0.302 0.000 0.000 0.000 3/29160 370.0 0.237 0.367 0.294 0.000 0.000 0.000 3/29160 380.0 0.231 0.358 0.287 0.000 0.000 0.000 3/29160 390.0 0.225 0.349 0.280 0.000 0.000 0.000 3/29160 400.0 0.220 0.341 0.274 0.000 0.000 0.000 3/29160 410.0 0.215 0.333 0.268 0.000 0.000 0.000 3/29160 420.0 0.210 0.326 0.262 0.000 0.000 0.000 3/29160 430.0 0.205 0.319 0.256 0.000 0.000 0.000 3/29160 440.0 0.201 0.312 0.251 0.000 0.000 0.000 3/29160 450.0 0.196 0.305 0.245 0.000 0.000 0.000 3/29160 460.0 0.192 0.299 0.240 0.000 0.000 0.000 3/29160 470.0 0.188 0.293 0.235 0.000 0.000 0.000 3/29160 480.0 0.185 0.287 0.231 0.000 0.000 0.000 3/29160 490.0 0.181 0.282 0.226 0.000 0.000 0.000 3/29160 500.0 0.177 0.276 0.222 0.000 0.000 0.000 3/29160 510.0 0.174 0.271 0.218 0.000 0.000 0.000 3/29160 520.0 0.171 0.266 0.214 0.000 0.000 0.000 3/29160 530.0 0.168 0.261 0.210 0.000 0.000 0.000 3/29160 540.0 0.165 0.257 0.206 0.000 0.000 0.000 3/29160 550.0 0.162 0.252 0.203 0.000 0.000 0.000 3/29160 560.0 0.159 0.248 0.199 0.000 0.000 0.000 3/29160 570.0 0.156 0.244 0.196 0.000 0.000 0.000 3/29160 580.0 0.154 0.240 0.193 0.000 0.000 0.000 3/29160 590.0 0.151 0.236 0.190 0.000 0.000 0.000 3/29160 600.0 0.149 0.232 0.187 0.000 0.000 0.000 3/29160 610.0 0.146 0.228 0.184 0.000 0.000 0.000 3/29160 620.0 0.144 0.225 0.181 0.000 0.000 0.000 3/29160 630.0 0.142 0.221 0.178 0.000 0.000 0.000 3/29160 640.0 0.140 0.218 0.175 0.000 0.000 0.000 3/29160 650.0 0.138 0.215 0.173 0.000 0.000 0.000 3/29160 660.0 0.135 0.212 0.170 0.000 0.000 0.000 3/29160 670.0 0.134 0.209 0.168 0.000 0.000 0.000 3/29160 680.0 0.132 0.206 0.165 0.000 0.000 0.000 3/29160 690.0 0.130 0.203 0.163 0.000 0.000 0.000 3/29160 700.0 0.128 0.200 0.161 0.000 0.000 0.000 3/29160 710.0 0.126 0.197 0.159 0.000 0.000 0.000 3/29160 720.0 0.124 0.194 0.157 0.000 0.000 0.000 3/29160 730.0 0.123 0.192 0.155 0.000 0.000 0.000 3/29160 740.0 0.121 0.189 0.152 0.000 0.000 0.000 3/29160 750.0 0.120 0.187 0.151 0.000 0.000 0.000 3/29160 760.0 0.118 0.185 0.149 0.000 0.000 0.000 3/29160 770.0 0.117 0.182 0.147 0.000 0.000 0.000 3/29160 780.0 0.115 0.180 0.145 0.000 0.000 0.000 3/29160 790.0 0.114 0.178 0.143 0.000 0.000 0.000 3/29160 800.0 0.112 0.176 0.141 0.000 0.000 0.000 3/29160 810.0 0.111 0.173 0.140 0.000 0.000 0.000 3/29160 820.0 0.110 0.171 0.138 0.000 0.000 0.000 3/29160 830.0 0.108 0.169 0.136 0.000 0.000 0.000 3/29160 840.0 0.107 0.167 0.135 0.000 0.000 0.000 3/29160 850.0 0.106 0.165 0.133 0.000 0.000 0.000 3/29160 860.0 0.105 0.164 0.132 0.000 0.000 0.000 3/29160 870.0 0.103 0.162 0.130 0.000 0.000 0.000 3/29160 880.0 0.102 0.160 0.129 0.000 0.000 0.000 3/29160 890.0 0.101 0.158 0.127 0.000 0.000 0.000 3/29160 900.0 0.100 0.156 0.126 0.000 0.000 0.000 3/29160 910.0 0.099 0.155 0.125 0.000 0.000 0.000 3/29160 920.0 0.098 0.153 0.123 0.000 0.000 0.000 3/29160 930.0 0.097 0.151 0.122 0.000 0.000 0.000 3/29160 940.0 0.096 0.150 0.121 0.000 0.000 0.000 3/29160 950.0 0.095 0.148 0.119 0.000 0.000 0.000 3/29160 960.0 0.094 0.147 0.118 0.000 0.000 0.000 3/29160 970.0 0.093 0.145 0.117 0.000 0.000 0.000 3/29160 980.0 0.092 0.144 0.116 0.000 0.000 0.000 3/29160 990.0 0.091 0.142 0.115 0.000 0.000 0.000 3/29160 1000.0 0.090 0.141 0.114 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m395.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:08:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|