----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:45:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.898807560001991 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): *1 O 0.52319222483977 0.01907579085789 0.33036364774521 15.999 2 O 0.47680777516023 0.51907579085789 0.16963635225479 15.999 3 O 0.47680777516023 0.98092420914211 0.66963635225479 15.999 4 O 0.52319222483977 0.48092420914211 0.83036364774521 15.999 *5 O 0.26960687755433 0.25543586614304 0.20933676853857 15.999 6 O 0.73039312244567 0.75543586614304 0.29066323146143 15.999 7 O 0.73039312244567 0.74456413385696 0.79066323146143 15.999 8 O 0.26960687755433 0.24456413385696 0.70933676853857 15.999 *9 O 0.21842935389381 0.92239829889310 0.20144346776998 15.999 10 O 0.78157064610619 0.42239829889310 0.29855653223002 15.999 11 O 0.78157064610619 0.07760170110690 0.79855653223002 15.999 12 O 0.21842935389381 0.57760170110690 0.70144346776998 15.999 *13 O 0.71219890117851 0.93370595774977 0.04027556291084 15.999 14 O 0.28780109882149 0.43370595774977 0.45972443708916 15.999 15 O 0.28780109882149 0.06629404225023 0.95972443708916 15.999 16 O 0.71219890117851 0.56629404225023 0.54027556291084 15.999 *17 O 0.98827815810727 0.15831522720045 0.05864204881710 15.999 18 O 0.01172184189273 0.65831522720045 0.44135795118290 15.999 19 O 0.01172184189273 0.84168477279955 0.94135795118290 15.999 20 O 0.98827815810727 0.34168477279955 0.55864204881710 15.999 *21 O 0.64825670546229 0.25805125497761 0.07199036761949 15.999 22 O 0.35174329453771 0.75805125497760 0.42800963238051 15.999 23 O 0.35174329453771 0.74194874502240 0.92800963238051 15.999 24 O 0.64825670546229 0.24194874502239 0.57199036761949 15.999 *25 O 0.85448422499359 0.43397342866959 0.78214741380781 15.999 26 O 0.14551577500641 0.93397342866959 0.71785258619219 15.999 27 O 0.14551577500641 0.56602657133041 0.21785258619219 15.999 28 O 0.85448422499359 0.06602657133041 0.28214741380781 15.999 *29 O 0.22647506388034 0.42077103332976 0.96180674863280 15.999 30 O 0.77352493611966 0.92077103332976 0.53819325136720 15.999 31 O 0.77352493611966 0.57922896667024 0.03819325136720 15.999 32 O 0.22647506388034 0.07922896667024 0.46180674863280 15.999 *33 Al 0.72803018887452 0.94097778842266 0.36839229680094 26.982 34 Al 0.27196981112548 0.44097778842266 0.13160770319905 26.982 35 Al 0.27196981112548 0.05902221157734 0.63160770319906 26.982 36 Al 0.72803018887452 0.55902221157734 0.86839229680094 26.982 *37 Al 0.32219733260129 0.94525841483629 0.36141235654177 26.982 38 Al 0.67780266739871 0.44525841483629 0.13858764345823 26.982 39 Al 0.67780266739871 0.05474158516371 0.63858764345823 26.982 40 Al 0.32219733260129 0.55474158516371 0.86141235654177 26.982 *41 Al 0.19683033184900 0.09701241729439 0.10937187028185 26.982 42 Al 0.80316966815100 0.59701241729439 0.39062812971815 26.982 43 Al 0.80316966815100 0.90298758270561 0.89062812971815 26.982 44 Al 0.19683033184900 0.40298758270561 0.60937187028185 26.982 *45 Al 0.79265038577845 0.10842536860877 0.11617140215174 26.982 46 Al 0.20734961422155 0.60842536860877 0.38382859784826 26.982 47 Al 0.20734961422155 0.89157463139123 0.88382859784826 26.982 48 Al 0.79265038577845 0.39157463139123 0.61617140215174 26.982 *49 Ca 0.50023623228071 0.28650075724869 0.37184572074330 40.078 50 Ca 0.49976376771929 0.78650075724869 0.12815427925670 40.078 51 Ca 0.49976376771929 0.71349924275131 0.62815427925670 40.078 52 Ca 0.50023623228071 0.21349924275131 0.87184572074330 40.078 *53 Ca 0.03539068883025 0.25976356643077 0.35391182849324 40.078 54 Ca 0.96460931116975 0.75976356643077 0.14608817150676 40.078 55 Ca 0.96460931116975 0.74023643356923 0.64608817150676 40.078 56 Ca 0.03539068883025 0.24023643356923 0.85391182849324 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.898807560001991 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): *1 O 0.52319222483977 0.01907579085789 0.33036364774521 15.999 > 1 2 O 0.47680777516023 0.51907579085789 0.16963635225479 15.999 > 2 3 O 0.47680777516023 0.98092420914211 0.66963635225479 15.999 > 3 4 O 0.52319222483977 0.48092420914211 0.83036364774521 15.999 > 4 *5 O 0.26960687755433 0.25543586614304 0.20933676853857 15.999 > 5 6 O 0.73039312244567 0.75543586614304 0.29066323146143 15.999 > 6 7 O 0.73039312244567 0.74456413385696 0.79066323146143 15.999 > 7 8 O 0.26960687755433 0.24456413385696 0.70933676853857 15.999 > 8 *9 O 0.21842935389381 0.92239829889310 0.20144346776998 15.999 > 9 10 O 0.78157064610619 0.42239829889310 0.29855653223002 15.999 > 10 11 O 0.78157064610619 0.07760170110690 0.79855653223002 15.999 > 11 12 O 0.21842935389381 0.57760170110690 0.70144346776998 15.999 > 12 *13 O 0.71219890117851 0.93370595774977 0.04027556291084 15.999 > 13 14 O 0.28780109882149 0.43370595774977 0.45972443708916 15.999 > 14 15 O 0.28780109882149 0.06629404225023 0.95972443708916 15.999 > 15 16 O 0.71219890117851 0.56629404225023 0.54027556291084 15.999 > 16 *17 O 0.98827815810727 0.15831522720045 0.05864204881710 15.999 > 17 18 O 0.01172184189273 0.65831522720045 0.44135795118290 15.999 > 18 19 O 0.01172184189273 0.84168477279955 0.94135795118290 15.999 > 19 20 O 0.98827815810727 0.34168477279955 0.55864204881710 15.999 > 20 *21 O 0.64825670546229 0.25805125497761 0.07199036761949 15.999 > 21 22 O 0.35174329453771 0.75805125497760 0.42800963238051 15.999 > 22 23 O 0.35174329453771 0.74194874502240 0.92800963238051 15.999 > 23 24 O 0.64825670546229 0.24194874502239 0.57199036761949 15.999 > 24 *25 O 0.85448422499359 0.43397342866959 0.78214741380781 15.999 > 25 26 O 0.14551577500641 0.93397342866959 0.71785258619219 15.999 > 26 27 O 0.14551577500641 0.56602657133041 0.21785258619219 15.999 > 27 28 O 0.85448422499359 0.06602657133041 0.28214741380781 15.999 > 28 *29 O 0.22647506388034 0.42077103332976 0.96180674863280 15.999 > 29 30 O 0.77352493611966 0.92077103332976 0.53819325136720 15.999 > 30 31 O 0.77352493611966 0.57922896667024 0.03819325136720 15.999 > 31 32 O 0.22647506388034 0.07922896667024 0.46180674863280 15.999 > 32 *33 Al 0.72803018887452 0.94097778842266 0.36839229680094 26.982 > 33 34 Al 0.27196981112548 0.44097778842266 0.13160770319905 26.982 > 34 35 Al 0.27196981112548 0.05902221157734 0.63160770319906 26.982 > 35 36 Al 0.72803018887452 0.55902221157734 0.86839229680094 26.982 > 36 *37 Al 0.32219733260129 0.94525841483629 0.36141235654177 26.982 > 37 38 Al 0.67780266739871 0.44525841483629 0.13858764345823 26.982 > 38 39 Al 0.67780266739871 0.05474158516371 0.63858764345823 26.982 > 39 40 Al 0.32219733260129 0.55474158516371 0.86141235654177 26.982 > 40 *41 Al 0.19683033184900 0.09701241729439 0.10937187028185 26.982 > 41 42 Al 0.80316966815100 0.59701241729439 0.39062812971815 26.982 > 42 43 Al 0.80316966815100 0.90298758270561 0.89062812971815 26.982 > 43 44 Al 0.19683033184900 0.40298758270561 0.60937187028185 26.982 > 44 *45 Al 0.79265038577845 0.10842536860877 0.11617140215174 26.982 > 45 46 Al 0.20734961422155 0.60842536860877 0.38382859784826 26.982 > 46 47 Al 0.20734961422155 0.89157463139123 0.88382859784826 26.982 > 47 48 Al 0.79265038577845 0.39157463139123 0.61617140215174 26.982 > 48 *49 Ca 0.50023623228071 0.28650075724869 0.37184572074330 40.078 > 49 50 Ca 0.49976376771929 0.78650075724869 0.12815427925670 40.078 > 50 51 Ca 0.49976376771929 0.71349924275131 0.62815427925670 40.078 > 51 52 Ca 0.50023623228071 0.21349924275131 0.87184572074330 40.078 > 52 *53 Ca 0.03539068883025 0.25976356643077 0.35391182849324 40.078 > 53 54 Ca 0.96460931116975 0.75976356643077 0.14608817150676 40.078 > 54 55 Ca 0.96460931116975 0.74023643356923 0.64608817150676 40.078 > 55 56 Ca 0.03539068883025 0.24023643356923 0.85391182849324 40.078 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.797615120003982 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): *1 O 0.26159611241989 0.01907579085789 0.33036364774521 15.999 > 1 2 O 0.76159611241989 0.01907579085789 0.33036364774521 15.999 > 1 3 O 0.23840388758011 0.51907579085789 0.16963635225479 15.999 > 2 4 O 0.73840388758011 0.51907579085789 0.16963635225479 15.999 > 2 5 O 0.23840388758011 0.98092420914211 0.66963635225479 15.999 > 3 6 O 0.73840388758011 0.98092420914211 0.66963635225479 15.999 > 3 7 O 0.26159611241989 0.48092420914211 0.83036364774521 15.999 > 4 8 O 0.76159611241989 0.48092420914211 0.83036364774521 15.999 > 4 *9 O 0.13480343877716 0.25543586614304 0.20933676853857 15.999 > 5 10 O 0.63480343877716 0.25543586614304 0.20933676853857 15.999 > 5 11 O 0.36519656122284 0.75543586614304 0.29066323146143 15.999 > 6 12 O 0.86519656122284 0.75543586614304 0.29066323146143 15.999 > 6 13 O 0.36519656122284 0.74456413385696 0.79066323146143 15.999 > 7 14 O 0.86519656122284 0.74456413385696 0.79066323146143 15.999 > 7 15 O 0.13480343877716 0.24456413385696 0.70933676853857 15.999 > 8 16 O 0.63480343877716 0.24456413385696 0.70933676853857 15.999 > 8 *17 O 0.10921467694691 0.92239829889310 0.20144346776998 15.999 > 9 18 O 0.60921467694691 0.92239829889310 0.20144346776998 15.999 > 9 19 O 0.39078532305309 0.42239829889310 0.29855653223002 15.999 > 10 20 O 0.89078532305309 0.42239829889310 0.29855653223002 15.999 > 10 21 O 0.39078532305309 0.07760170110690 0.79855653223002 15.999 > 11 22 O 0.89078532305309 0.07760170110690 0.79855653223002 15.999 > 11 23 O 0.10921467694691 0.57760170110690 0.70144346776998 15.999 > 12 24 O 0.60921467694691 0.57760170110690 0.70144346776998 15.999 > 12 *25 O 0.35609945058926 0.93370595774977 0.04027556291084 15.999 > 13 26 O 0.85609945058926 0.93370595774977 0.04027556291084 15.999 > 13 27 O 0.14390054941074 0.43370595774977 0.45972443708916 15.999 > 14 28 O 0.64390054941074 0.43370595774977 0.45972443708916 15.999 > 14 29 O 0.14390054941074 0.06629404225023 0.95972443708916 15.999 > 15 30 O 0.64390054941074 0.06629404225023 0.95972443708916 15.999 > 15 31 O 0.35609945058926 0.56629404225023 0.54027556291084 15.999 > 16 32 O 0.85609945058926 0.56629404225023 0.54027556291084 15.999 > 16 *33 O 0.49413907905364 0.15831522720045 0.05864204881710 15.999 > 17 34 O 0.99413907905364 0.15831522720045 0.05864204881710 15.999 > 17 35 O 0.00586092094636 0.65831522720045 0.44135795118290 15.999 > 18 36 O 0.50586092094637 0.65831522720045 0.44135795118290 15.999 > 18 37 O 0.00586092094636 0.84168477279955 0.94135795118290 15.999 > 19 38 O 0.50586092094637 0.84168477279955 0.94135795118290 15.999 > 19 39 O 0.49413907905364 0.34168477279955 0.55864204881710 15.999 > 20 40 O 0.99413907905364 0.34168477279955 0.55864204881710 15.999 > 20 *41 O 0.32412835273114 0.25805125497761 0.07199036761949 15.999 > 21 42 O 0.82412835273114 0.25805125497761 0.07199036761949 15.999 > 21 43 O 0.17587164726886 0.75805125497760 0.42800963238051 15.999 > 22 44 O 0.67587164726886 0.75805125497760 0.42800963238051 15.999 > 22 45 O 0.17587164726886 0.74194874502240 0.92800963238051 15.999 > 23 46 O 0.67587164726886 0.74194874502240 0.92800963238051 15.999 > 23 47 O 0.32412835273114 0.24194874502239 0.57199036761949 15.999 > 24 48 O 0.82412835273114 0.24194874502239 0.57199036761949 15.999 > 24 *49 O 0.42724211249679 0.43397342866959 0.78214741380781 15.999 > 25 50 O 0.92724211249679 0.43397342866959 0.78214741380781 15.999 > 25 51 O 0.07275788750321 0.93397342866959 0.71785258619219 15.999 > 26 52 O 0.57275788750321 0.93397342866959 0.71785258619219 15.999 > 26 53 O 0.07275788750321 0.56602657133041 0.21785258619219 15.999 > 27 54 O 0.57275788750321 0.56602657133041 0.21785258619219 15.999 > 27 55 O 0.42724211249679 0.06602657133041 0.28214741380781 15.999 > 28 56 O 0.92724211249679 0.06602657133041 0.28214741380781 15.999 > 28 *57 O 0.11323753194017 0.42077103332976 0.96180674863280 15.999 > 29 58 O 0.61323753194017 0.42077103332976 0.96180674863280 15.999 > 29 59 O 0.38676246805983 0.92077103332976 0.53819325136720 15.999 > 30 60 O 0.88676246805983 0.92077103332976 0.53819325136720 15.999 > 30 61 O 0.38676246805983 0.57922896667024 0.03819325136720 15.999 > 31 62 O 0.88676246805983 0.57922896667024 0.03819325136720 15.999 > 31 63 O 0.11323753194017 0.07922896667024 0.46180674863280 15.999 > 32 64 O 0.61323753194017 0.07922896667024 0.46180674863280 15.999 > 32 *65 Al 0.36401509443726 0.94097778842266 0.36839229680094 26.982 > 33 66 Al 0.86401509443726 0.94097778842266 0.36839229680094 26.982 > 33 67 Al 0.13598490556274 0.44097778842266 0.13160770319905 26.982 > 34 68 Al 0.63598490556274 0.44097778842266 0.13160770319905 26.982 > 34 69 Al 0.13598490556274 0.05902221157734 0.63160770319906 26.982 > 35 70 Al 0.63598490556274 0.05902221157734 0.63160770319906 26.982 > 35 71 Al 0.36401509443726 0.55902221157734 0.86839229680094 26.982 > 36 72 Al 0.86401509443726 0.55902221157734 0.86839229680094 26.982 > 36 *73 Al 0.16109866630064 0.94525841483629 0.36141235654177 26.982 > 37 74 Al 0.66109866630064 0.94525841483629 0.36141235654177 26.982 > 37 75 Al 0.33890133369936 0.44525841483629 0.13858764345823 26.982 > 38 76 Al 0.83890133369936 0.44525841483629 0.13858764345823 26.982 > 38 77 Al 0.33890133369936 0.05474158516371 0.63858764345823 26.982 > 39 78 Al 0.83890133369936 0.05474158516371 0.63858764345823 26.982 > 39 79 Al 0.16109866630064 0.55474158516371 0.86141235654177 26.982 > 40 80 Al 0.66109866630064 0.55474158516371 0.86141235654177 26.982 > 40 *81 Al 0.09841516592450 0.09701241729439 0.10937187028185 26.982 > 41 82 Al 0.59841516592450 0.09701241729439 0.10937187028185 26.982 > 41 83 Al 0.40158483407550 0.59701241729439 0.39062812971815 26.982 > 42 84 Al 0.90158483407550 0.59701241729439 0.39062812971815 26.982 > 42 85 Al 0.40158483407550 0.90298758270561 0.89062812971815 26.982 > 43 86 Al 0.90158483407550 0.90298758270561 0.89062812971815 26.982 > 43 87 Al 0.09841516592450 0.40298758270561 0.60937187028185 26.982 > 44 88 Al 0.59841516592450 0.40298758270561 0.60937187028185 26.982 > 44 *89 Al 0.39632519288923 0.10842536860877 0.11617140215174 26.982 > 45 90 Al 0.89632519288923 0.10842536860877 0.11617140215174 26.982 > 45 91 Al 0.10367480711077 0.60842536860877 0.38382859784826 26.982 > 46 92 Al 0.60367480711077 0.60842536860877 0.38382859784826 26.982 > 46 93 Al 0.10367480711077 0.89157463139123 0.88382859784826 26.982 > 47 94 Al 0.60367480711077 0.89157463139123 0.88382859784826 26.982 > 47 95 Al 0.39632519288923 0.39157463139123 0.61617140215174 26.982 > 48 96 Al 0.89632519288923 0.39157463139123 0.61617140215174 26.982 > 48 *97 Ca 0.25011811614035 0.28650075724869 0.37184572074330 40.078 > 49 98 Ca 0.75011811614035 0.28650075724869 0.37184572074330 40.078 > 49 99 Ca 0.24988188385965 0.78650075724869 0.12815427925670 40.078 > 50 100 Ca 0.74988188385965 0.78650075724869 0.12815427925670 40.078 > 50 101 Ca 0.24988188385965 0.71349924275131 0.62815427925670 40.078 > 51 102 Ca 0.74988188385965 0.71349924275131 0.62815427925670 40.078 > 51 103 Ca 0.25011811614035 0.21349924275131 0.87184572074330 40.078 > 52 104 Ca 0.75011811614035 0.21349924275131 0.87184572074330 40.078 > 52 *105 Ca 0.01769534441512 0.25976356643077 0.35391182849324 40.078 > 53 106 Ca 0.51769534441512 0.25976356643077 0.35391182849324 40.078 > 53 107 Ca 0.48230465558488 0.75976356643077 0.14608817150676 40.078 > 54 108 Ca 0.98230465558488 0.75976356643077 0.14608817150676 40.078 > 54 109 Ca 0.48230465558488 0.74023643356923 0.64608817150676 40.078 > 55 110 Ca 0.98230465558488 0.74023643356923 0.64608817150676 40.078 > 55 111 Ca 0.01769534441512 0.24023643356923 0.85391182849324 40.078 > 56 112 Ca 0.51769534441512 0.24023643356923 0.85391182849324 40.078 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9753643 0.0000000 0.0191744 0.0000000 3.0410316 0.0000000 0.0191750 0.0000000 3.0764635 -------------------------- Born effective charges -------------------------- 1 O -2.2567716 0.0509769 -0.0020750 0.0893832 -1.8338327 -0.0623514 0.0229349 -0.0701466 -1.5196542 2 O -2.2567716 -0.0509769 -0.0020750 -0.0893832 -1.8338327 0.0623514 0.0229349 0.0701466 -1.5196542 3 O -2.2567716 0.0509769 -0.0020750 0.0893832 -1.8338327 -0.0623514 0.0229349 -0.0701466 -1.5196542 4 O -2.2567716 -0.0509769 -0.0020750 -0.0893832 -1.8338327 0.0623514 0.0229349 0.0701466 -1.5196542 5 O -1.6166527 -0.2299054 -0.1176142 -0.1820218 -2.1438212 -0.0238335 -0.1198675 -0.0352656 -1.8678138 6 O -1.6166527 0.2299054 -0.1176142 0.1820218 -2.1438212 0.0238335 -0.1198675 0.0352656 -1.8678138 7 O -1.6166527 -0.2299054 -0.1176142 -0.1820218 -2.1438212 -0.0238335 -0.1198675 -0.0352656 -1.8678138 8 O -1.6166527 0.2299054 -0.1176142 0.1820218 -2.1438212 0.0238335 -0.1198675 0.0352656 -1.8678138 9 O -1.6818152 -0.0053151 -0.3076107 -0.0207828 -1.8420145 0.1479593 -0.2810629 0.1962961 -2.0476823 10 O -1.6818152 0.0053151 -0.3076107 0.0207828 -1.8420145 -0.1479593 -0.2810629 -0.1962961 -2.0476823 11 O -1.6818152 -0.0053151 -0.3076107 -0.0207828 -1.8420145 0.1479593 -0.2810629 0.1962961 -2.0476823 12 O -1.6818152 0.0053151 -0.3076107 0.0207828 -1.8420145 -0.1479593 -0.2810629 -0.1962961 -2.0476823 13 O -1.7493998 -0.1540797 0.1962639 -0.1780137 -1.9098260 -0.1283072 0.1549964 -0.1093108 -1.9431915 14 O -1.7493998 0.1540797 0.1962639 0.1780137 -1.9098260 0.1283072 0.1549964 0.1093108 -1.9431915 15 O -1.7493998 -0.1540797 0.1962639 -0.1780137 -1.9098260 -0.1283072 0.1549964 -0.1093108 -1.9431915 16 O -1.7493998 0.1540797 0.1962639 0.1780137 -1.9098260 0.1283072 0.1549964 0.1093108 -1.9431915 17 O -2.2538349 -0.0578782 0.1215072 -0.0769322 -1.4964191 0.0776472 0.1136590 0.0929090 -1.8922020 18 O -2.2538349 0.0578782 0.1215072 0.0769322 -1.4964191 -0.0776472 0.1136590 -0.0929090 -1.8922020 19 O -2.2538349 -0.0578782 0.1215072 -0.0769322 -1.4964191 0.0776472 0.1136590 0.0929090 -1.8922020 20 O -2.2538349 0.0578782 0.1215072 0.0769322 -1.4964191 -0.0776472 0.1136590 -0.0929090 -1.8922020 21 O -1.5902254 0.2880426 -0.2749287 0.2514455 -2.1470494 -0.1387869 -0.2208921 -0.1324105 -1.8111588 22 O -1.5902254 -0.2880426 -0.2749287 -0.2514455 -2.1470494 0.1387869 -0.2208921 0.1324105 -1.8111588 23 O -1.5902254 0.2880426 -0.2749287 0.2514455 -2.1470494 -0.1387869 -0.2208921 -0.1324105 -1.8111588 24 O -1.5902254 -0.2880426 -0.2749287 -0.2514455 -2.1470494 0.1387869 -0.2208921 0.1324105 -1.8111588 25 O -1.7338866 0.3825480 0.1387062 0.3387171 -1.8339400 -0.1407174 0.0596054 -0.1120531 -1.9963210 26 O -1.7338866 -0.3825480 0.1387062 -0.3387171 -1.8339400 0.1407174 0.0596054 0.1120531 -1.9963210 27 O -1.7338866 0.3825480 0.1387062 0.3387171 -1.8339400 -0.1407174 0.0596054 -0.1120531 -1.9963210 28 O -1.7338866 -0.3825480 0.1387062 -0.3387171 -1.8339400 0.1407174 0.0596054 0.1120531 -1.9963210 29 O -1.5616336 -0.3338793 0.0115257 -0.3116793 -1.7698191 0.0592241 0.0184830 0.0644162 -2.1773824 30 O -1.5616336 0.3338793 0.0115257 0.3116793 -1.7698191 -0.0592241 0.0184830 -0.0644162 -2.1773824 31 O -1.5616336 -0.3338793 0.0115257 -0.3116793 -1.7698191 0.0592241 0.0184830 0.0644162 -2.1773824 32 O -1.5616336 0.3338793 0.0115257 0.3116793 -1.7698191 -0.0592241 0.0184830 -0.0644162 -2.1773824 33 Al 2.4028589 -0.0943665 -0.1589508 -0.0556453 2.5313546 -0.1058607 -0.1555241 -0.0872651 2.6300720 34 Al 2.4028589 0.0943665 -0.1589508 0.0556453 2.5313546 0.1058607 -0.1555241 0.0872651 2.6300720 35 Al 2.4028589 -0.0943665 -0.1589508 -0.0556453 2.5313546 -0.1058607 -0.1555241 -0.0872651 2.6300720 36 Al 2.4028589 0.0943665 -0.1589508 0.0556453 2.5313546 0.1058607 -0.1555241 0.0872651 2.6300720 37 Al 2.3189763 0.0629814 0.0690743 -0.0425491 2.5438177 -0.0436703 0.0601351 -0.0244547 2.5836810 38 Al 2.3189763 -0.0629814 0.0690743 0.0425491 2.5438177 0.0436703 0.0601351 0.0244547 2.5836810 39 Al 2.3189763 0.0629814 0.0690743 -0.0425491 2.5438177 -0.0436703 0.0601351 -0.0244547 2.5836810 40 Al 2.3189763 -0.0629814 0.0690743 0.0425491 2.5438177 0.0436703 0.0601351 0.0244547 2.5836810 41 Al 2.3234873 -0.0336876 0.1573866 0.0114869 2.5719706 0.1108833 0.1115332 0.0566918 2.6644852 42 Al 2.3234873 0.0336876 0.1573866 -0.0114869 2.5719706 -0.1108833 0.1115332 -0.0566918 2.6644852 43 Al 2.3234873 -0.0336876 0.1573866 0.0114869 2.5719706 0.1108833 0.1115332 0.0566918 2.6644852 44 Al 2.3234873 0.0336876 0.1573866 -0.0114869 2.5719706 -0.1108833 0.1115332 -0.0566918 2.6644852 45 Al 2.4816724 -0.0861983 -0.0487754 -0.1167260 2.5218537 0.0097565 -0.0006227 -0.0378896 2.5006131 46 Al 2.4816724 0.0861983 -0.0487754 0.1167260 2.5218537 -0.0097565 -0.0006227 0.0378896 2.5006131 47 Al 2.4816724 -0.0861983 -0.0487754 -0.1167260 2.5218537 0.0097565 -0.0006227 -0.0378896 2.5006131 48 Al 2.4816724 0.0861983 -0.0487754 0.1167260 2.5218537 -0.0097565 -0.0006227 0.0378896 2.5006131 49 Ca 2.4647020 -0.0731383 0.1453470 -0.0666838 2.4092273 -0.0412318 0.1315414 -0.0143826 2.4559931 50 Ca 2.4647020 0.0731383 0.1453470 0.0666838 2.4092273 0.0412318 0.1315414 0.0143826 2.4559931 51 Ca 2.4647020 -0.0731383 0.1453470 -0.0666838 2.4092273 -0.0412318 0.1315414 -0.0143826 2.4559931 52 Ca 2.4647020 0.0731383 0.1453470 0.0666838 2.4092273 0.0412318 0.1315414 0.0143826 2.4559931 53 Ca 2.4525230 -0.0685060 0.0701439 -0.0403419 2.3984980 0.2488369 0.1050810 0.2380538 2.4205617 54 Ca 2.4525230 0.0685060 0.0701439 0.0403419 2.3984980 -0.2488369 0.1050810 -0.2380538 2.4205617 55 Ca 2.4525230 -0.0685060 0.0701439 -0.0403419 2.3984980 0.2488369 0.1050810 0.2380538 2.4205617 56 Ca 2.4525230 0.0685060 0.0701439 0.0403419 2.3984980 -0.2488369 0.1050810 -0.2380538 2.4205617 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 3.021 Solver_block: 200 / 1680 - Time: 4.100 Solver_block: 300 / 1680 - Time: 2.618 Solver_block: 400 / 1680 - Time: 2.801 Solver_block: 500 / 1680 - Time: 3.204 Solver_block: 600 / 1680 - Time: 3.443 Solver_block: 700 / 1680 - Time: 3.571 Solver_block: 800 / 1680 - Time: 3.270 Solver_block: 900 / 1680 - Time: 3.413 Solver_block: 1000 / 1680 - Time: 3.529 Solver_block: 1100 / 1680 - Time: 3.430 Solver_block: 1200 / 1680 - Time: 3.069 Solver_block: 1300 / 1680 - Time: 3.131 Solver_block: 1400 / 1680 - Time: 3.361 Solver_block: 1500 / 1680 - Time: 3.371 Solver_block: 1600 / 1680 - Time: 2.905 Solver_block: 1680 / 1680 - Time: 2.275 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 56.483 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:47:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:47:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.898807560001991 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): 1 O 0.52319222483977 0.01907579085789 0.33036364774521 15.999 2 O 0.47680777516023 0.51907579085789 0.16963635225479 15.999 3 O 0.47680777516023 0.98092420914211 0.66963635225479 15.999 4 O 0.52319222483977 0.48092420914211 0.83036364774521 15.999 5 O 0.26960687755433 0.25543586614304 0.20933676853857 15.999 6 O 0.73039312244567 0.75543586614304 0.29066323146143 15.999 7 O 0.73039312244567 0.74456413385696 0.79066323146143 15.999 8 O 0.26960687755433 0.24456413385696 0.70933676853857 15.999 9 O 0.21842935389381 0.92239829889310 0.20144346776998 15.999 10 O 0.78157064610619 0.42239829889310 0.29855653223002 15.999 11 O 0.78157064610619 0.07760170110690 0.79855653223002 15.999 12 O 0.21842935389381 0.57760170110690 0.70144346776998 15.999 13 O 0.71219890117851 0.93370595774977 0.04027556291084 15.999 14 O 0.28780109882149 0.43370595774977 0.45972443708916 15.999 15 O 0.28780109882149 0.06629404225023 0.95972443708916 15.999 16 O 0.71219890117851 0.56629404225023 0.54027556291084 15.999 17 O 0.98827815810727 0.15831522720045 0.05864204881710 15.999 18 O 0.01172184189273 0.65831522720045 0.44135795118290 15.999 19 O 0.01172184189273 0.84168477279955 0.94135795118290 15.999 20 O 0.98827815810727 0.34168477279955 0.55864204881710 15.999 21 O 0.64825670546229 0.25805125497761 0.07199036761949 15.999 22 O 0.35174329453771 0.75805125497760 0.42800963238051 15.999 23 O 0.35174329453771 0.74194874502240 0.92800963238051 15.999 24 O 0.64825670546229 0.24194874502239 0.57199036761949 15.999 25 O 0.85448422499359 0.43397342866959 0.78214741380781 15.999 26 O 0.14551577500641 0.93397342866959 0.71785258619219 15.999 27 O 0.14551577500641 0.56602657133041 0.21785258619219 15.999 28 O 0.85448422499359 0.06602657133041 0.28214741380781 15.999 29 O 0.22647506388034 0.42077103332976 0.96180674863280 15.999 30 O 0.77352493611966 0.92077103332976 0.53819325136720 15.999 31 O 0.77352493611966 0.57922896667024 0.03819325136720 15.999 32 O 0.22647506388034 0.07922896667024 0.46180674863280 15.999 33 Al 0.72803018887452 0.94097778842266 0.36839229680094 26.982 34 Al 0.27196981112548 0.44097778842266 0.13160770319905 26.982 35 Al 0.27196981112548 0.05902221157734 0.63160770319906 26.982 36 Al 0.72803018887452 0.55902221157734 0.86839229680094 26.982 37 Al 0.32219733260129 0.94525841483629 0.36141235654177 26.982 38 Al 0.67780266739871 0.44525841483629 0.13858764345823 26.982 39 Al 0.67780266739871 0.05474158516371 0.63858764345823 26.982 40 Al 0.32219733260129 0.55474158516371 0.86141235654177 26.982 41 Al 0.19683033184900 0.09701241729439 0.10937187028185 26.982 42 Al 0.80316966815100 0.59701241729439 0.39062812971815 26.982 43 Al 0.80316966815100 0.90298758270561 0.89062812971815 26.982 44 Al 0.19683033184900 0.40298758270561 0.60937187028185 26.982 45 Al 0.79265038577845 0.10842536860877 0.11617140215174 26.982 46 Al 0.20734961422155 0.60842536860877 0.38382859784826 26.982 47 Al 0.20734961422155 0.89157463139123 0.88382859784826 26.982 48 Al 0.79265038577845 0.39157463139123 0.61617140215174 26.982 49 Ca 0.50023623228071 0.28650075724869 0.37184572074330 40.078 50 Ca 0.49976376771929 0.78650075724869 0.12815427925670 40.078 51 Ca 0.49976376771929 0.71349924275131 0.62815427925670 40.078 52 Ca 0.50023623228071 0.21349924275131 0.87184572074330 40.078 53 Ca 0.03539068883025 0.25976356643077 0.35391182849324 40.078 54 Ca 0.96460931116975 0.75976356643077 0.14608817150676 40.078 55 Ca 0.96460931116975 0.74023643356923 0.64608817150676 40.078 56 Ca 0.03539068883025 0.24023643356923 0.85391182849324 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.797615120003982 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): 1 O 0.26159611241989 0.01907579085789 0.33036364774521 15.999 > 1 2 O 0.76159611241989 0.01907579085789 0.33036364774521 15.999 > 1 3 O 0.23840388758011 0.51907579085789 0.16963635225479 15.999 > 3 4 O 0.73840388758011 0.51907579085789 0.16963635225479 15.999 > 3 5 O 0.23840388758011 0.98092420914211 0.66963635225479 15.999 > 5 6 O 0.73840388758011 0.98092420914211 0.66963635225479 15.999 > 5 7 O 0.26159611241989 0.48092420914211 0.83036364774521 15.999 > 7 8 O 0.76159611241989 0.48092420914211 0.83036364774521 15.999 > 7 9 O 0.13480343877716 0.25543586614304 0.20933676853857 15.999 > 9 10 O 0.63480343877716 0.25543586614304 0.20933676853857 15.999 > 9 11 O 0.36519656122284 0.75543586614304 0.29066323146143 15.999 > 11 12 O 0.86519656122284 0.75543586614304 0.29066323146143 15.999 > 11 13 O 0.36519656122284 0.74456413385696 0.79066323146143 15.999 > 13 14 O 0.86519656122284 0.74456413385696 0.79066323146143 15.999 > 13 15 O 0.13480343877716 0.24456413385696 0.70933676853857 15.999 > 15 16 O 0.63480343877716 0.24456413385696 0.70933676853857 15.999 > 15 17 O 0.10921467694691 0.92239829889310 0.20144346776998 15.999 > 17 18 O 0.60921467694691 0.92239829889310 0.20144346776998 15.999 > 17 19 O 0.39078532305309 0.42239829889310 0.29855653223002 15.999 > 19 20 O 0.89078532305309 0.42239829889310 0.29855653223002 15.999 > 19 21 O 0.39078532305309 0.07760170110690 0.79855653223002 15.999 > 21 22 O 0.89078532305309 0.07760170110690 0.79855653223002 15.999 > 21 23 O 0.10921467694691 0.57760170110690 0.70144346776998 15.999 > 23 24 O 0.60921467694691 0.57760170110690 0.70144346776998 15.999 > 23 25 O 0.35609945058926 0.93370595774977 0.04027556291084 15.999 > 25 26 O 0.85609945058926 0.93370595774977 0.04027556291084 15.999 > 25 27 O 0.14390054941074 0.43370595774977 0.45972443708916 15.999 > 27 28 O 0.64390054941074 0.43370595774977 0.45972443708916 15.999 > 27 29 O 0.14390054941074 0.06629404225023 0.95972443708916 15.999 > 29 30 O 0.64390054941074 0.06629404225023 0.95972443708916 15.999 > 29 31 O 0.35609945058926 0.56629404225023 0.54027556291084 15.999 > 31 32 O 0.85609945058926 0.56629404225023 0.54027556291084 15.999 > 31 33 O 0.49413907905364 0.15831522720045 0.05864204881710 15.999 > 33 34 O 0.99413907905364 0.15831522720045 0.05864204881710 15.999 > 33 35 O 0.00586092094636 0.65831522720045 0.44135795118290 15.999 > 35 36 O 0.50586092094637 0.65831522720045 0.44135795118290 15.999 > 35 37 O 0.00586092094636 0.84168477279955 0.94135795118290 15.999 > 37 38 O 0.50586092094637 0.84168477279955 0.94135795118290 15.999 > 37 39 O 0.49413907905364 0.34168477279955 0.55864204881710 15.999 > 39 40 O 0.99413907905364 0.34168477279955 0.55864204881710 15.999 > 39 41 O 0.32412835273114 0.25805125497761 0.07199036761949 15.999 > 41 42 O 0.82412835273114 0.25805125497761 0.07199036761949 15.999 > 41 43 O 0.17587164726886 0.75805125497760 0.42800963238051 15.999 > 43 44 O 0.67587164726886 0.75805125497760 0.42800963238051 15.999 > 43 45 O 0.17587164726886 0.74194874502240 0.92800963238051 15.999 > 45 46 O 0.67587164726886 0.74194874502240 0.92800963238051 15.999 > 45 47 O 0.32412835273114 0.24194874502239 0.57199036761949 15.999 > 47 48 O 0.82412835273114 0.24194874502239 0.57199036761949 15.999 > 47 49 O 0.42724211249679 0.43397342866959 0.78214741380781 15.999 > 49 50 O 0.92724211249679 0.43397342866959 0.78214741380781 15.999 > 49 51 O 0.07275788750321 0.93397342866959 0.71785258619219 15.999 > 51 52 O 0.57275788750321 0.93397342866959 0.71785258619219 15.999 > 51 53 O 0.07275788750321 0.56602657133041 0.21785258619219 15.999 > 53 54 O 0.57275788750321 0.56602657133041 0.21785258619219 15.999 > 53 55 O 0.42724211249679 0.06602657133041 0.28214741380781 15.999 > 55 56 O 0.92724211249679 0.06602657133041 0.28214741380781 15.999 > 55 57 O 0.11323753194017 0.42077103332976 0.96180674863280 15.999 > 57 58 O 0.61323753194017 0.42077103332976 0.96180674863280 15.999 > 57 59 O 0.38676246805983 0.92077103332976 0.53819325136720 15.999 > 59 60 O 0.88676246805983 0.92077103332976 0.53819325136720 15.999 > 59 61 O 0.38676246805983 0.57922896667024 0.03819325136720 15.999 > 61 62 O 0.88676246805983 0.57922896667024 0.03819325136720 15.999 > 61 63 O 0.11323753194017 0.07922896667024 0.46180674863280 15.999 > 63 64 O 0.61323753194017 0.07922896667024 0.46180674863280 15.999 > 63 65 Al 0.36401509443726 0.94097778842266 0.36839229680094 26.982 > 65 66 Al 0.86401509443726 0.94097778842266 0.36839229680094 26.982 > 65 67 Al 0.13598490556274 0.44097778842266 0.13160770319905 26.982 > 67 68 Al 0.63598490556274 0.44097778842266 0.13160770319905 26.982 > 67 69 Al 0.13598490556274 0.05902221157734 0.63160770319906 26.982 > 69 70 Al 0.63598490556274 0.05902221157734 0.63160770319906 26.982 > 69 71 Al 0.36401509443726 0.55902221157734 0.86839229680094 26.982 > 71 72 Al 0.86401509443726 0.55902221157734 0.86839229680094 26.982 > 71 73 Al 0.16109866630064 0.94525841483629 0.36141235654177 26.982 > 73 74 Al 0.66109866630064 0.94525841483629 0.36141235654177 26.982 > 73 75 Al 0.33890133369936 0.44525841483629 0.13858764345823 26.982 > 75 76 Al 0.83890133369936 0.44525841483629 0.13858764345823 26.982 > 75 77 Al 0.33890133369936 0.05474158516371 0.63858764345823 26.982 > 77 78 Al 0.83890133369936 0.05474158516371 0.63858764345823 26.982 > 77 79 Al 0.16109866630064 0.55474158516371 0.86141235654177 26.982 > 79 80 Al 0.66109866630064 0.55474158516371 0.86141235654177 26.982 > 79 81 Al 0.09841516592450 0.09701241729439 0.10937187028185 26.982 > 81 82 Al 0.59841516592450 0.09701241729439 0.10937187028185 26.982 > 81 83 Al 0.40158483407550 0.59701241729439 0.39062812971815 26.982 > 83 84 Al 0.90158483407550 0.59701241729439 0.39062812971815 26.982 > 83 85 Al 0.40158483407550 0.90298758270561 0.89062812971815 26.982 > 85 86 Al 0.90158483407550 0.90298758270561 0.89062812971815 26.982 > 85 87 Al 0.09841516592450 0.40298758270561 0.60937187028185 26.982 > 87 88 Al 0.59841516592450 0.40298758270561 0.60937187028185 26.982 > 87 89 Al 0.39632519288923 0.10842536860877 0.11617140215174 26.982 > 89 90 Al 0.89632519288923 0.10842536860877 0.11617140215174 26.982 > 89 91 Al 0.10367480711077 0.60842536860877 0.38382859784826 26.982 > 91 92 Al 0.60367480711077 0.60842536860877 0.38382859784826 26.982 > 91 93 Al 0.10367480711077 0.89157463139123 0.88382859784826 26.982 > 93 94 Al 0.60367480711077 0.89157463139123 0.88382859784826 26.982 > 93 95 Al 0.39632519288923 0.39157463139123 0.61617140215174 26.982 > 95 96 Al 0.89632519288923 0.39157463139123 0.61617140215174 26.982 > 95 97 Ca 0.25011811614035 0.28650075724869 0.37184572074330 40.078 > 97 98 Ca 0.75011811614035 0.28650075724869 0.37184572074330 40.078 > 97 99 Ca 0.24988188385965 0.78650075724869 0.12815427925670 40.078 > 99 100 Ca 0.74988188385965 0.78650075724869 0.12815427925670 40.078 > 99 101 Ca 0.24988188385965 0.71349924275131 0.62815427925670 40.078 > 101 102 Ca 0.74988188385965 0.71349924275131 0.62815427925670 40.078 > 101 103 Ca 0.25011811614035 0.21349924275131 0.87184572074330 40.078 > 103 104 Ca 0.75011811614035 0.21349924275131 0.87184572074330 40.078 > 103 105 Ca 0.01769534441512 0.25976356643077 0.35391182849324 40.078 > 105 106 Ca 0.51769534441512 0.25976356643077 0.35391182849324 40.078 > 105 107 Ca 0.48230465558488 0.75976356643077 0.14608817150676 40.078 > 107 108 Ca 0.98230465558488 0.75976356643077 0.14608817150676 40.078 > 107 109 Ca 0.48230465558488 0.74023643356923 0.64608817150676 40.078 > 109 110 Ca 0.98230465558488 0.74023643356923 0.64608817150676 40.078 > 109 111 Ca 0.01769534441512 0.24023643356923 0.85391182849324 40.078 > 111 112 Ca 0.51769534441512 0.24023643356923 0.85391182849324 40.078 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9753643 0.0000000 0.0191744 0.0000000 3.0410316 0.0000000 0.0191750 0.0000000 3.0764635 -------------------------- Born effective charges -------------------------- 1 O -2.2567716 0.0509769 -0.0020750 0.0893832 -1.8338327 -0.0623514 0.0229349 -0.0701466 -1.5196542 2 O -2.2567716 -0.0509769 -0.0020750 -0.0893832 -1.8338327 0.0623514 0.0229349 0.0701466 -1.5196542 3 O -2.2567716 0.0509769 -0.0020750 0.0893832 -1.8338327 -0.0623514 0.0229349 -0.0701466 -1.5196542 4 O -2.2567716 -0.0509769 -0.0020750 -0.0893832 -1.8338327 0.0623514 0.0229349 0.0701466 -1.5196542 5 O -1.6166527 -0.2299054 -0.1176142 -0.1820218 -2.1438212 -0.0238335 -0.1198675 -0.0352656 -1.8678138 6 O -1.6166527 0.2299054 -0.1176142 0.1820218 -2.1438212 0.0238335 -0.1198675 0.0352656 -1.8678138 7 O -1.6166527 -0.2299054 -0.1176142 -0.1820218 -2.1438212 -0.0238335 -0.1198675 -0.0352656 -1.8678138 8 O -1.6166527 0.2299054 -0.1176142 0.1820218 -2.1438212 0.0238335 -0.1198675 0.0352656 -1.8678138 9 O -1.6818152 -0.0053151 -0.3076107 -0.0207828 -1.8420145 0.1479593 -0.2810629 0.1962961 -2.0476823 10 O -1.6818152 0.0053151 -0.3076107 0.0207828 -1.8420145 -0.1479593 -0.2810629 -0.1962961 -2.0476823 11 O -1.6818152 -0.0053151 -0.3076107 -0.0207828 -1.8420145 0.1479593 -0.2810629 0.1962961 -2.0476823 12 O -1.6818152 0.0053151 -0.3076107 0.0207828 -1.8420145 -0.1479593 -0.2810629 -0.1962961 -2.0476823 13 O -1.7493998 -0.1540797 0.1962639 -0.1780137 -1.9098260 -0.1283072 0.1549964 -0.1093108 -1.9431915 14 O -1.7493998 0.1540797 0.1962639 0.1780137 -1.9098260 0.1283072 0.1549964 0.1093108 -1.9431915 15 O -1.7493998 -0.1540797 0.1962639 -0.1780137 -1.9098260 -0.1283072 0.1549964 -0.1093108 -1.9431915 16 O -1.7493998 0.1540797 0.1962639 0.1780137 -1.9098260 0.1283072 0.1549964 0.1093108 -1.9431915 17 O -2.2538349 -0.0578782 0.1215072 -0.0769322 -1.4964191 0.0776472 0.1136590 0.0929090 -1.8922020 18 O -2.2538349 0.0578782 0.1215072 0.0769322 -1.4964191 -0.0776472 0.1136590 -0.0929090 -1.8922020 19 O -2.2538349 -0.0578782 0.1215072 -0.0769322 -1.4964191 0.0776472 0.1136590 0.0929090 -1.8922020 20 O -2.2538349 0.0578782 0.1215072 0.0769322 -1.4964191 -0.0776472 0.1136590 -0.0929090 -1.8922020 21 O -1.5902254 0.2880426 -0.2749287 0.2514455 -2.1470494 -0.1387869 -0.2208921 -0.1324105 -1.8111588 22 O -1.5902254 -0.2880426 -0.2749287 -0.2514455 -2.1470494 0.1387869 -0.2208921 0.1324105 -1.8111588 23 O -1.5902254 0.2880426 -0.2749287 0.2514455 -2.1470494 -0.1387869 -0.2208921 -0.1324105 -1.8111588 24 O -1.5902254 -0.2880426 -0.2749287 -0.2514455 -2.1470494 0.1387869 -0.2208921 0.1324105 -1.8111588 25 O -1.7338866 0.3825480 0.1387062 0.3387171 -1.8339400 -0.1407174 0.0596054 -0.1120531 -1.9963210 26 O -1.7338866 -0.3825480 0.1387062 -0.3387171 -1.8339400 0.1407174 0.0596054 0.1120531 -1.9963210 27 O -1.7338866 0.3825480 0.1387062 0.3387171 -1.8339400 -0.1407174 0.0596054 -0.1120531 -1.9963210 28 O -1.7338866 -0.3825480 0.1387062 -0.3387171 -1.8339400 0.1407174 0.0596054 0.1120531 -1.9963210 29 O -1.5616336 -0.3338793 0.0115257 -0.3116793 -1.7698191 0.0592241 0.0184830 0.0644162 -2.1773824 30 O -1.5616336 0.3338793 0.0115257 0.3116793 -1.7698191 -0.0592241 0.0184830 -0.0644162 -2.1773824 31 O -1.5616336 -0.3338793 0.0115257 -0.3116793 -1.7698191 0.0592241 0.0184830 0.0644162 -2.1773824 32 O -1.5616336 0.3338793 0.0115257 0.3116793 -1.7698191 -0.0592241 0.0184830 -0.0644162 -2.1773824 33 Al 2.4028589 -0.0943665 -0.1589508 -0.0556453 2.5313546 -0.1058607 -0.1555241 -0.0872651 2.6300720 34 Al 2.4028589 0.0943665 -0.1589508 0.0556453 2.5313546 0.1058607 -0.1555241 0.0872651 2.6300720 35 Al 2.4028589 -0.0943665 -0.1589508 -0.0556453 2.5313546 -0.1058607 -0.1555241 -0.0872651 2.6300720 36 Al 2.4028589 0.0943665 -0.1589508 0.0556453 2.5313546 0.1058607 -0.1555241 0.0872651 2.6300720 37 Al 2.3189763 0.0629814 0.0690743 -0.0425491 2.5438177 -0.0436703 0.0601351 -0.0244547 2.5836810 38 Al 2.3189763 -0.0629814 0.0690743 0.0425491 2.5438177 0.0436703 0.0601351 0.0244547 2.5836810 39 Al 2.3189763 0.0629814 0.0690743 -0.0425491 2.5438177 -0.0436703 0.0601351 -0.0244547 2.5836810 40 Al 2.3189763 -0.0629814 0.0690743 0.0425491 2.5438177 0.0436703 0.0601351 0.0244547 2.5836810 41 Al 2.3234873 -0.0336876 0.1573866 0.0114869 2.5719706 0.1108833 0.1115332 0.0566918 2.6644852 42 Al 2.3234873 0.0336876 0.1573866 -0.0114869 2.5719706 -0.1108833 0.1115332 -0.0566918 2.6644852 43 Al 2.3234873 -0.0336876 0.1573866 0.0114869 2.5719706 0.1108833 0.1115332 0.0566918 2.6644852 44 Al 2.3234873 0.0336876 0.1573866 -0.0114869 2.5719706 -0.1108833 0.1115332 -0.0566918 2.6644852 45 Al 2.4816724 -0.0861983 -0.0487754 -0.1167260 2.5218537 0.0097565 -0.0006227 -0.0378896 2.5006131 46 Al 2.4816724 0.0861983 -0.0487754 0.1167260 2.5218537 -0.0097565 -0.0006227 0.0378896 2.5006131 47 Al 2.4816724 -0.0861983 -0.0487754 -0.1167260 2.5218537 0.0097565 -0.0006227 -0.0378896 2.5006131 48 Al 2.4816724 0.0861983 -0.0487754 0.1167260 2.5218537 -0.0097565 -0.0006227 0.0378896 2.5006131 49 Ca 2.4647020 -0.0731383 0.1453470 -0.0666838 2.4092273 -0.0412318 0.1315414 -0.0143826 2.4559931 50 Ca 2.4647020 0.0731383 0.1453470 0.0666838 2.4092273 0.0412318 0.1315414 0.0143826 2.4559931 51 Ca 2.4647020 -0.0731383 0.1453470 -0.0666838 2.4092273 -0.0412318 0.1315414 -0.0143826 2.4559931 52 Ca 2.4647020 0.0731383 0.1453470 0.0666838 2.4092273 0.0412318 0.1315414 0.0143826 2.4559931 53 Ca 2.4525230 -0.0685060 0.0701439 -0.0403419 2.3984980 0.2488369 0.1050810 0.2380538 2.4205617 54 Ca 2.4525230 0.0685060 0.0701439 0.0403419 2.3984980 -0.2488369 0.1050810 -0.2380538 2.4205617 55 Ca 2.4525230 -0.0685060 0.0701439 -0.0403419 2.3984980 0.2488369 0.1050810 0.2380538 2.4205617 56 Ca 2.4525230 0.0685060 0.0701439 0.0403419 2.3984980 -0.2488369 0.1050810 -0.2380538 2.4205617 ---------------------------------------------------------------------------- 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:49:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:49:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.898807560001991 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): 1 O 0.52319222483977 0.01907579085789 0.33036364774521 15.999 2 O 0.47680777516023 0.51907579085789 0.16963635225479 15.999 3 O 0.47680777516023 0.98092420914211 0.66963635225479 15.999 4 O 0.52319222483977 0.48092420914211 0.83036364774521 15.999 5 O 0.26960687755433 0.25543586614304 0.20933676853857 15.999 6 O 0.73039312244567 0.75543586614304 0.29066323146143 15.999 7 O 0.73039312244567 0.74456413385696 0.79066323146143 15.999 8 O 0.26960687755433 0.24456413385696 0.70933676853857 15.999 9 O 0.21842935389381 0.92239829889310 0.20144346776998 15.999 10 O 0.78157064610619 0.42239829889310 0.29855653223002 15.999 11 O 0.78157064610619 0.07760170110690 0.79855653223002 15.999 12 O 0.21842935389381 0.57760170110690 0.70144346776998 15.999 13 O 0.71219890117851 0.93370595774977 0.04027556291084 15.999 14 O 0.28780109882149 0.43370595774977 0.45972443708916 15.999 15 O 0.28780109882149 0.06629404225023 0.95972443708916 15.999 16 O 0.71219890117851 0.56629404225023 0.54027556291084 15.999 17 O 0.98827815810727 0.15831522720045 0.05864204881710 15.999 18 O 0.01172184189273 0.65831522720045 0.44135795118290 15.999 19 O 0.01172184189273 0.84168477279955 0.94135795118290 15.999 20 O 0.98827815810727 0.34168477279955 0.55864204881710 15.999 21 O 0.64825670546229 0.25805125497761 0.07199036761949 15.999 22 O 0.35174329453771 0.75805125497760 0.42800963238051 15.999 23 O 0.35174329453771 0.74194874502240 0.92800963238051 15.999 24 O 0.64825670546229 0.24194874502239 0.57199036761949 15.999 25 O 0.85448422499359 0.43397342866959 0.78214741380781 15.999 26 O 0.14551577500641 0.93397342866959 0.71785258619219 15.999 27 O 0.14551577500641 0.56602657133041 0.21785258619219 15.999 28 O 0.85448422499359 0.06602657133041 0.28214741380781 15.999 29 O 0.22647506388034 0.42077103332976 0.96180674863280 15.999 30 O 0.77352493611966 0.92077103332976 0.53819325136720 15.999 31 O 0.77352493611966 0.57922896667024 0.03819325136720 15.999 32 O 0.22647506388034 0.07922896667024 0.46180674863280 15.999 33 Al 0.72803018887452 0.94097778842266 0.36839229680094 26.982 34 Al 0.27196981112548 0.44097778842266 0.13160770319905 26.982 35 Al 0.27196981112548 0.05902221157734 0.63160770319906 26.982 36 Al 0.72803018887452 0.55902221157734 0.86839229680094 26.982 37 Al 0.32219733260129 0.94525841483629 0.36141235654177 26.982 38 Al 0.67780266739871 0.44525841483629 0.13858764345823 26.982 39 Al 0.67780266739871 0.05474158516371 0.63858764345823 26.982 40 Al 0.32219733260129 0.55474158516371 0.86141235654177 26.982 41 Al 0.19683033184900 0.09701241729439 0.10937187028185 26.982 42 Al 0.80316966815100 0.59701241729439 0.39062812971815 26.982 43 Al 0.80316966815100 0.90298758270561 0.89062812971815 26.982 44 Al 0.19683033184900 0.40298758270561 0.60937187028185 26.982 45 Al 0.79265038577845 0.10842536860877 0.11617140215174 26.982 46 Al 0.20734961422155 0.60842536860877 0.38382859784826 26.982 47 Al 0.20734961422155 0.89157463139123 0.88382859784826 26.982 48 Al 0.79265038577845 0.39157463139123 0.61617140215174 26.982 49 Ca 0.50023623228071 0.28650075724869 0.37184572074330 40.078 50 Ca 0.49976376771929 0.78650075724869 0.12815427925670 40.078 51 Ca 0.49976376771929 0.71349924275131 0.62815427925670 40.078 52 Ca 0.50023623228071 0.21349924275131 0.87184572074330 40.078 53 Ca 0.03539068883025 0.25976356643077 0.35391182849324 40.078 54 Ca 0.96460931116975 0.75976356643077 0.14608817150676 40.078 55 Ca 0.96460931116975 0.74023643356923 0.64608817150676 40.078 56 Ca 0.03539068883025 0.24023643356923 0.85391182849324 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.797615120003982 0.000000000000000 0.000000000000000 b 0.000000000000000 8.598201520000000 0.000000000000000 c -0.896256391436163 0.000000000000000 10.248124216554153 Atomic positions (fractional): 1 O 0.26159611241989 0.01907579085789 0.33036364774521 15.999 > 1 2 O 0.76159611241989 0.01907579085789 0.33036364774521 15.999 > 1 3 O 0.23840388758011 0.51907579085789 0.16963635225479 15.999 > 3 4 O 0.73840388758011 0.51907579085789 0.16963635225479 15.999 > 3 5 O 0.23840388758011 0.98092420914211 0.66963635225479 15.999 > 5 6 O 0.73840388758011 0.98092420914211 0.66963635225479 15.999 > 5 7 O 0.26159611241989 0.48092420914211 0.83036364774521 15.999 > 7 8 O 0.76159611241989 0.48092420914211 0.83036364774521 15.999 > 7 9 O 0.13480343877716 0.25543586614304 0.20933676853857 15.999 > 9 10 O 0.63480343877716 0.25543586614304 0.20933676853857 15.999 > 9 11 O 0.36519656122284 0.75543586614304 0.29066323146143 15.999 > 11 12 O 0.86519656122284 0.75543586614304 0.29066323146143 15.999 > 11 13 O 0.36519656122284 0.74456413385696 0.79066323146143 15.999 > 13 14 O 0.86519656122284 0.74456413385696 0.79066323146143 15.999 > 13 15 O 0.13480343877716 0.24456413385696 0.70933676853857 15.999 > 15 16 O 0.63480343877716 0.24456413385696 0.70933676853857 15.999 > 15 17 O 0.10921467694691 0.92239829889310 0.20144346776998 15.999 > 17 18 O 0.60921467694691 0.92239829889310 0.20144346776998 15.999 > 17 19 O 0.39078532305309 0.42239829889310 0.29855653223002 15.999 > 19 20 O 0.89078532305309 0.42239829889310 0.29855653223002 15.999 > 19 21 O 0.39078532305309 0.07760170110690 0.79855653223002 15.999 > 21 22 O 0.89078532305309 0.07760170110690 0.79855653223002 15.999 > 21 23 O 0.10921467694691 0.57760170110690 0.70144346776998 15.999 > 23 24 O 0.60921467694691 0.57760170110690 0.70144346776998 15.999 > 23 25 O 0.35609945058926 0.93370595774977 0.04027556291084 15.999 > 25 26 O 0.85609945058926 0.93370595774977 0.04027556291084 15.999 > 25 27 O 0.14390054941074 0.43370595774977 0.45972443708916 15.999 > 27 28 O 0.64390054941074 0.43370595774977 0.45972443708916 15.999 > 27 29 O 0.14390054941074 0.06629404225023 0.95972443708916 15.999 > 29 30 O 0.64390054941074 0.06629404225023 0.95972443708916 15.999 > 29 31 O 0.35609945058926 0.56629404225023 0.54027556291084 15.999 > 31 32 O 0.85609945058926 0.56629404225023 0.54027556291084 15.999 > 31 33 O 0.49413907905364 0.15831522720045 0.05864204881710 15.999 > 33 34 O 0.99413907905364 0.15831522720045 0.05864204881710 15.999 > 33 35 O 0.00586092094636 0.65831522720045 0.44135795118290 15.999 > 35 36 O 0.50586092094637 0.65831522720045 0.44135795118290 15.999 > 35 37 O 0.00586092094636 0.84168477279955 0.94135795118290 15.999 > 37 38 O 0.50586092094637 0.84168477279955 0.94135795118290 15.999 > 37 39 O 0.49413907905364 0.34168477279955 0.55864204881710 15.999 > 39 40 O 0.99413907905364 0.34168477279955 0.55864204881710 15.999 > 39 41 O 0.32412835273114 0.25805125497761 0.07199036761949 15.999 > 41 42 O 0.82412835273114 0.25805125497761 0.07199036761949 15.999 > 41 43 O 0.17587164726886 0.75805125497760 0.42800963238051 15.999 > 43 44 O 0.67587164726886 0.75805125497760 0.42800963238051 15.999 > 43 45 O 0.17587164726886 0.74194874502240 0.92800963238051 15.999 > 45 46 O 0.67587164726886 0.74194874502240 0.92800963238051 15.999 > 45 47 O 0.32412835273114 0.24194874502239 0.57199036761949 15.999 > 47 48 O 0.82412835273114 0.24194874502239 0.57199036761949 15.999 > 47 49 O 0.42724211249679 0.43397342866959 0.78214741380781 15.999 > 49 50 O 0.92724211249679 0.43397342866959 0.78214741380781 15.999 > 49 51 O 0.07275788750321 0.93397342866959 0.71785258619219 15.999 > 51 52 O 0.57275788750321 0.93397342866959 0.71785258619219 15.999 > 51 53 O 0.07275788750321 0.56602657133041 0.21785258619219 15.999 > 53 54 O 0.57275788750321 0.56602657133041 0.21785258619219 15.999 > 53 55 O 0.42724211249679 0.06602657133041 0.28214741380781 15.999 > 55 56 O 0.92724211249679 0.06602657133041 0.28214741380781 15.999 > 55 57 O 0.11323753194017 0.42077103332976 0.96180674863280 15.999 > 57 58 O 0.61323753194017 0.42077103332976 0.96180674863280 15.999 > 57 59 O 0.38676246805983 0.92077103332976 0.53819325136720 15.999 > 59 60 O 0.88676246805983 0.92077103332976 0.53819325136720 15.999 > 59 61 O 0.38676246805983 0.57922896667024 0.03819325136720 15.999 > 61 62 O 0.88676246805983 0.57922896667024 0.03819325136720 15.999 > 61 63 O 0.11323753194017 0.07922896667024 0.46180674863280 15.999 > 63 64 O 0.61323753194017 0.07922896667024 0.46180674863280 15.999 > 63 65 Al 0.36401509443726 0.94097778842266 0.36839229680094 26.982 > 65 66 Al 0.86401509443726 0.94097778842266 0.36839229680094 26.982 > 65 67 Al 0.13598490556274 0.44097778842266 0.13160770319905 26.982 > 67 68 Al 0.63598490556274 0.44097778842266 0.13160770319905 26.982 > 67 69 Al 0.13598490556274 0.05902221157734 0.63160770319906 26.982 > 69 70 Al 0.63598490556274 0.05902221157734 0.63160770319906 26.982 > 69 71 Al 0.36401509443726 0.55902221157734 0.86839229680094 26.982 > 71 72 Al 0.86401509443726 0.55902221157734 0.86839229680094 26.982 > 71 73 Al 0.16109866630064 0.94525841483629 0.36141235654177 26.982 > 73 74 Al 0.66109866630064 0.94525841483629 0.36141235654177 26.982 > 73 75 Al 0.33890133369936 0.44525841483629 0.13858764345823 26.982 > 75 76 Al 0.83890133369936 0.44525841483629 0.13858764345823 26.982 > 75 77 Al 0.33890133369936 0.05474158516371 0.63858764345823 26.982 > 77 78 Al 0.83890133369936 0.05474158516371 0.63858764345823 26.982 > 77 79 Al 0.16109866630064 0.55474158516371 0.86141235654177 26.982 > 79 80 Al 0.66109866630064 0.55474158516371 0.86141235654177 26.982 > 79 81 Al 0.09841516592450 0.09701241729439 0.10937187028185 26.982 > 81 82 Al 0.59841516592450 0.09701241729439 0.10937187028185 26.982 > 81 83 Al 0.40158483407550 0.59701241729439 0.39062812971815 26.982 > 83 84 Al 0.90158483407550 0.59701241729439 0.39062812971815 26.982 > 83 85 Al 0.40158483407550 0.90298758270561 0.89062812971815 26.982 > 85 86 Al 0.90158483407550 0.90298758270561 0.89062812971815 26.982 > 85 87 Al 0.09841516592450 0.40298758270561 0.60937187028185 26.982 > 87 88 Al 0.59841516592450 0.40298758270561 0.60937187028185 26.982 > 87 89 Al 0.39632519288923 0.10842536860877 0.11617140215174 26.982 > 89 90 Al 0.89632519288923 0.10842536860877 0.11617140215174 26.982 > 89 91 Al 0.10367480711077 0.60842536860877 0.38382859784826 26.982 > 91 92 Al 0.60367480711077 0.60842536860877 0.38382859784826 26.982 > 91 93 Al 0.10367480711077 0.89157463139123 0.88382859784826 26.982 > 93 94 Al 0.60367480711077 0.89157463139123 0.88382859784826 26.982 > 93 95 Al 0.39632519288923 0.39157463139123 0.61617140215174 26.982 > 95 96 Al 0.89632519288923 0.39157463139123 0.61617140215174 26.982 > 95 97 Ca 0.25011811614035 0.28650075724869 0.37184572074330 40.078 > 97 98 Ca 0.75011811614035 0.28650075724869 0.37184572074330 40.078 > 97 99 Ca 0.24988188385965 0.78650075724869 0.12815427925670 40.078 > 99 100 Ca 0.74988188385965 0.78650075724869 0.12815427925670 40.078 > 99 101 Ca 0.24988188385965 0.71349924275131 0.62815427925670 40.078 > 101 102 Ca 0.74988188385965 0.71349924275131 0.62815427925670 40.078 > 101 103 Ca 0.25011811614035 0.21349924275131 0.87184572074330 40.078 > 103 104 Ca 0.75011811614035 0.21349924275131 0.87184572074330 40.078 > 103 105 Ca 0.01769534441512 0.25976356643077 0.35391182849324 40.078 > 105 106 Ca 0.51769534441512 0.25976356643077 0.35391182849324 40.078 > 105 107 Ca 0.48230465558488 0.75976356643077 0.14608817150676 40.078 > 107 108 Ca 0.98230465558488 0.75976356643077 0.14608817150676 40.078 > 107 109 Ca 0.48230465558488 0.74023643356923 0.64608817150676 40.078 > 109 110 Ca 0.98230465558488 0.74023643356923 0.64608817150676 40.078 > 109 111 Ca 0.01769534441512 0.24023643356923 0.85391182849324 40.078 > 111 112 Ca 0.51769534441512 0.24023643356923 0.85391182849324 40.078 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9753643 0.0000000 0.0191744 0.0000000 3.0410316 0.0000000 0.0191750 0.0000000 3.0764635 -------------------------- Born effective charges -------------------------- 1 O -2.2567716 0.0509769 -0.0020750 0.0893832 -1.8338327 -0.0623514 0.0229349 -0.0701466 -1.5196542 2 O -2.2567716 -0.0509769 -0.0020750 -0.0893832 -1.8338327 0.0623514 0.0229349 0.0701466 -1.5196542 3 O -2.2567716 0.0509769 -0.0020750 0.0893832 -1.8338327 -0.0623514 0.0229349 -0.0701466 -1.5196542 4 O -2.2567716 -0.0509769 -0.0020750 -0.0893832 -1.8338327 0.0623514 0.0229349 0.0701466 -1.5196542 5 O -1.6166527 -0.2299054 -0.1176142 -0.1820218 -2.1438212 -0.0238335 -0.1198675 -0.0352656 -1.8678138 6 O -1.6166527 0.2299054 -0.1176142 0.1820218 -2.1438212 0.0238335 -0.1198675 0.0352656 -1.8678138 7 O -1.6166527 -0.2299054 -0.1176142 -0.1820218 -2.1438212 -0.0238335 -0.1198675 -0.0352656 -1.8678138 8 O -1.6166527 0.2299054 -0.1176142 0.1820218 -2.1438212 0.0238335 -0.1198675 0.0352656 -1.8678138 9 O -1.6818152 -0.0053151 -0.3076107 -0.0207828 -1.8420145 0.1479593 -0.2810629 0.1962961 -2.0476823 10 O -1.6818152 0.0053151 -0.3076107 0.0207828 -1.8420145 -0.1479593 -0.2810629 -0.1962961 -2.0476823 11 O -1.6818152 -0.0053151 -0.3076107 -0.0207828 -1.8420145 0.1479593 -0.2810629 0.1962961 -2.0476823 12 O -1.6818152 0.0053151 -0.3076107 0.0207828 -1.8420145 -0.1479593 -0.2810629 -0.1962961 -2.0476823 13 O -1.7493998 -0.1540797 0.1962639 -0.1780137 -1.9098260 -0.1283072 0.1549964 -0.1093108 -1.9431915 14 O -1.7493998 0.1540797 0.1962639 0.1780137 -1.9098260 0.1283072 0.1549964 0.1093108 -1.9431915 15 O -1.7493998 -0.1540797 0.1962639 -0.1780137 -1.9098260 -0.1283072 0.1549964 -0.1093108 -1.9431915 16 O -1.7493998 0.1540797 0.1962639 0.1780137 -1.9098260 0.1283072 0.1549964 0.1093108 -1.9431915 17 O -2.2538349 -0.0578782 0.1215072 -0.0769322 -1.4964191 0.0776472 0.1136590 0.0929090 -1.8922020 18 O -2.2538349 0.0578782 0.1215072 0.0769322 -1.4964191 -0.0776472 0.1136590 -0.0929090 -1.8922020 19 O -2.2538349 -0.0578782 0.1215072 -0.0769322 -1.4964191 0.0776472 0.1136590 0.0929090 -1.8922020 20 O -2.2538349 0.0578782 0.1215072 0.0769322 -1.4964191 -0.0776472 0.1136590 -0.0929090 -1.8922020 21 O -1.5902254 0.2880426 -0.2749287 0.2514455 -2.1470494 -0.1387869 -0.2208921 -0.1324105 -1.8111588 22 O -1.5902254 -0.2880426 -0.2749287 -0.2514455 -2.1470494 0.1387869 -0.2208921 0.1324105 -1.8111588 23 O -1.5902254 0.2880426 -0.2749287 0.2514455 -2.1470494 -0.1387869 -0.2208921 -0.1324105 -1.8111588 24 O -1.5902254 -0.2880426 -0.2749287 -0.2514455 -2.1470494 0.1387869 -0.2208921 0.1324105 -1.8111588 25 O -1.7338866 0.3825480 0.1387062 0.3387171 -1.8339400 -0.1407174 0.0596054 -0.1120531 -1.9963210 26 O -1.7338866 -0.3825480 0.1387062 -0.3387171 -1.8339400 0.1407174 0.0596054 0.1120531 -1.9963210 27 O -1.7338866 0.3825480 0.1387062 0.3387171 -1.8339400 -0.1407174 0.0596054 -0.1120531 -1.9963210 28 O -1.7338866 -0.3825480 0.1387062 -0.3387171 -1.8339400 0.1407174 0.0596054 0.1120531 -1.9963210 29 O -1.5616336 -0.3338793 0.0115257 -0.3116793 -1.7698191 0.0592241 0.0184830 0.0644162 -2.1773824 30 O -1.5616336 0.3338793 0.0115257 0.3116793 -1.7698191 -0.0592241 0.0184830 -0.0644162 -2.1773824 31 O -1.5616336 -0.3338793 0.0115257 -0.3116793 -1.7698191 0.0592241 0.0184830 0.0644162 -2.1773824 32 O -1.5616336 0.3338793 0.0115257 0.3116793 -1.7698191 -0.0592241 0.0184830 -0.0644162 -2.1773824 33 Al 2.4028589 -0.0943665 -0.1589508 -0.0556453 2.5313546 -0.1058607 -0.1555241 -0.0872651 2.6300720 34 Al 2.4028589 0.0943665 -0.1589508 0.0556453 2.5313546 0.1058607 -0.1555241 0.0872651 2.6300720 35 Al 2.4028589 -0.0943665 -0.1589508 -0.0556453 2.5313546 -0.1058607 -0.1555241 -0.0872651 2.6300720 36 Al 2.4028589 0.0943665 -0.1589508 0.0556453 2.5313546 0.1058607 -0.1555241 0.0872651 2.6300720 37 Al 2.3189763 0.0629814 0.0690743 -0.0425491 2.5438177 -0.0436703 0.0601351 -0.0244547 2.5836810 38 Al 2.3189763 -0.0629814 0.0690743 0.0425491 2.5438177 0.0436703 0.0601351 0.0244547 2.5836810 39 Al 2.3189763 0.0629814 0.0690743 -0.0425491 2.5438177 -0.0436703 0.0601351 -0.0244547 2.5836810 40 Al 2.3189763 -0.0629814 0.0690743 0.0425491 2.5438177 0.0436703 0.0601351 0.0244547 2.5836810 41 Al 2.3234873 -0.0336876 0.1573866 0.0114869 2.5719706 0.1108833 0.1115332 0.0566918 2.6644852 42 Al 2.3234873 0.0336876 0.1573866 -0.0114869 2.5719706 -0.1108833 0.1115332 -0.0566918 2.6644852 43 Al 2.3234873 -0.0336876 0.1573866 0.0114869 2.5719706 0.1108833 0.1115332 0.0566918 2.6644852 44 Al 2.3234873 0.0336876 0.1573866 -0.0114869 2.5719706 -0.1108833 0.1115332 -0.0566918 2.6644852 45 Al 2.4816724 -0.0861983 -0.0487754 -0.1167260 2.5218537 0.0097565 -0.0006227 -0.0378896 2.5006131 46 Al 2.4816724 0.0861983 -0.0487754 0.1167260 2.5218537 -0.0097565 -0.0006227 0.0378896 2.5006131 47 Al 2.4816724 -0.0861983 -0.0487754 -0.1167260 2.5218537 0.0097565 -0.0006227 -0.0378896 2.5006131 48 Al 2.4816724 0.0861983 -0.0487754 0.1167260 2.5218537 -0.0097565 -0.0006227 0.0378896 2.5006131 49 Ca 2.4647020 -0.0731383 0.1453470 -0.0666838 2.4092273 -0.0412318 0.1315414 -0.0143826 2.4559931 50 Ca 2.4647020 0.0731383 0.1453470 0.0666838 2.4092273 0.0412318 0.1315414 0.0143826 2.4559931 51 Ca 2.4647020 -0.0731383 0.1453470 -0.0666838 2.4092273 -0.0412318 0.1315414 -0.0143826 2.4559931 52 Ca 2.4647020 0.0731383 0.1453470 0.0666838 2.4092273 0.0412318 0.1315414 0.0143826 2.4559931 53 Ca 2.4525230 -0.0685060 0.0701439 -0.0403419 2.3984980 0.2488369 0.1050810 0.2380538 2.4205617 54 Ca 2.4525230 0.0685060 0.0701439 0.0403419 2.3984980 -0.2488369 0.1050810 -0.2380538 2.4205617 55 Ca 2.4525230 -0.0685060 0.0701439 -0.0403419 2.3984980 0.2488369 0.1050810 0.2380538 2.4205617 56 Ca 2.4525230 0.0685060 0.0701439 0.0403419 2.3984980 -0.2488369 0.1050810 -0.2380538 2.4205617 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 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: 0.47, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.727 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 11.012 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.422 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.511 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.884 ( 0.000 0.000 0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 12.915 ( 0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.458 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.712 ( 0.000 0.000 0.000) 0.000 13.820 ( 0.000 0.000 0.000) 0.000 15.357 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 15.571 ( 0.000 0.000 0.000) 0.000 15.880 ( 0.000 0.000 0.000) 0.000 15.978 ( 0.000 0.000 0.000) 0.000 16.166 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.760 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 16.952 ( 0.000 0.000 0.000) 0.000 17.059 ( 0.000 0.000 0.000) 0.000 17.831 ( 0.000 0.000 0.000) 0.000 17.888 ( 0.000 0.000 0.000) 0.000 18.405 ( 0.000 0.000 0.000) 0.000 18.633 ( 0.000 0.000 0.000) 0.000 18.667 ( 0.000 0.000 0.000) 0.000 18.700 ( 0.000 0.000 0.000) 0.000 19.058 ( 0.000 0.000 0.000) 0.000 19.280 ( 0.000 0.000 0.000) 0.000 19.302 ( 0.000 0.000 0.000) 0.000 19.565 ( 0.000 0.000 0.000) 0.000 19.566 ( 0.000 0.000 0.000) 0.000 19.611 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 20.418 ( 0.000 0.000 0.000) 0.000 20.439 ( 0.000 0.000 0.000) 0.000 20.526 ( 0.000 0.000 0.000) 0.000 20.836 ( 0.000 0.000 0.000) 0.000 21.131 ( 0.000 0.000 0.000) 0.000 21.478 ( 0.000 0.000 0.000) 0.000 21.534 ( 0.000 0.000 0.000) 0.000 21.852 ( 0.000 0.000 0.000) 0.000 22.002 ( 0.000 0.000 0.000) 0.000 22.122 ( 0.000 0.000 0.000) 0.000 22.226 ( 0.000 0.000 0.000) 0.000 22.260 ( 0.000 0.000 0.000) 0.000 22.610 ( 0.000 0.000 0.000) 0.000 22.639 ( 0.000 0.000 0.000) 0.000 22.676 ( 0.000 0.000 0.000) 0.000 22.707 ( 0.000 0.000 0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 23.009 ( 0.000 0.000 0.000) 0.000 23.170 ( 0.000 0.000 0.000) 0.000 23.274 ( 0.000 0.000 0.000) 0.000 23.650 ( 0.000 0.000 0.000) 0.000 23.809 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 24.165 ( 0.000 0.000 0.000) 0.000 24.177 ( 0.000 0.000 0.000) 0.000 24.529 ( 0.000 0.000 0.000) 0.000 24.627 ( 0.000 0.000 0.000) 0.000 24.723 ( 0.000 0.000 0.000) 0.000 24.948 ( 0.000 0.000 0.000) 0.000 24.993 ( 0.000 0.000 0.000) 0.000 25.098 ( 0.000 0.000 0.000) 0.000 25.118 ( 0.000 0.000 0.000) 0.000 25.289 ( 0.000 0.000 0.000) 0.000 25.414 ( 0.000 0.000 0.000) 0.000 25.448 ( 0.000 0.000 0.000) 0.000 25.659 ( 0.000 0.000 0.000) 0.000 25.695 ( 0.000 0.000 0.000) 0.000 25.730 ( 0.000 0.000 0.000) 0.000 25.849 ( 0.000 0.000 0.000) 0.000 26.148 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 35.224 0.000 11.150) 36.946 0.870 ( 39.366 0.000 16.820) 42.808 1.300 ( 56.606 0.000 14.872) 58.527 2.181 ( 4.771 0.000 -5.343) 7.163 2.406 ( -6.386 0.000 -6.844) 9.360 2.678 ( 4.859 0.000 0.619) 4.898 2.717 ( 1.446 0.000 -0.565) 1.553 2.882 ( 3.844 0.000 -5.380) 6.612 2.932 ( 5.080 0.000 -1.472) 5.289 3.111 ( 3.804 0.000 -4.868) 6.178 3.224 ( 2.978 0.000 6.437) 7.092 3.369 ( -0.529 0.000 -4.397) 4.429 3.616 ( 6.385 0.000 -10.171) 12.009 3.617 ( -9.573 0.000 9.001) 13.139 3.628 ( 7.680 0.000 -0.821) 7.723 3.748 ( -0.978 0.000 -7.265) 7.330 4.009 ( -1.172 0.000 -2.093) 2.399 4.163 ( -3.080 0.000 0.152) 3.083 4.237 ( -2.265 0.000 -4.286) 4.847 4.247 ( 0.136 0.000 -1.307) 1.314 4.290 ( 0.042 0.000 8.525) 8.525 4.560 ( 3.480 0.000 -8.402) 9.094 4.568 ( -12.757 0.000 -4.077) 13.393 4.651 ( -5.377 0.000 6.200) 8.207 4.660 ( 4.946 0.000 6.043) 7.809 4.865 ( 2.226 0.000 0.031) 2.226 4.907 ( -0.740 0.000 -11.200) 11.224 5.077 ( 2.259 0.000 -1.587) 2.761 5.117 ( 2.820 0.000 6.301) 6.903 5.229 ( -8.689 0.000 1.149) 8.765 5.313 ( 6.197 0.000 -2.707) 6.763 5.358 ( 4.397 0.000 4.209) 6.087 5.521 ( -2.099 0.000 0.200) 2.109 5.564 ( -6.030 0.000 -6.879) 9.147 5.597 ( -1.457 0.000 -5.149) 5.351 5.756 ( -7.239 0.000 3.109) 7.878 5.781 ( 5.507 0.000 2.318) 5.975 5.787 ( 1.654 0.000 -6.468) 6.676 5.970 ( -1.004 0.000 5.945) 6.029 5.993 ( 2.696 0.000 -3.485) 4.406 6.129 ( 0.295 0.000 -3.282) 3.295 6.219 ( -9.229 0.000 -11.211) 14.522 6.259 ( 2.262 0.000 8.041) 8.353 6.397 ( 2.016 0.000 -1.656) 2.609 6.552 ( -2.933 0.000 13.715) 14.025 6.553 ( -9.499 0.000 -9.508) 13.440 6.680 ( -13.316 0.000 1.431) 13.393 6.923 ( -2.661 0.000 3.524) 4.416 7.084 ( -21.180 0.000 -4.263) 21.605 7.234 ( -4.326 0.000 -4.325) 6.117 7.319 ( 5.974 0.000 -8.269) 10.201 7.378 ( -3.440 0.000 0.571) 3.487 7.544 ( 3.021 0.000 -1.075) 3.207 7.629 ( -7.280 0.000 0.392) 7.291 7.662 ( -7.835 0.000 22.476) 23.803 7.732 ( -6.655 0.000 -0.466) 6.672 7.780 ( -7.985 0.000 1.723) 8.168 7.986 ( -3.584 0.000 -2.018) 4.113 8.003 ( -1.738 0.000 -2.904) 3.384 8.035 ( -3.264 0.000 10.260) 10.767 8.278 ( -0.981 0.000 11.205) 11.248 8.293 ( -1.207 0.000 -14.955) 15.004 8.379 ( -0.566 0.000 -19.326) 19.334 8.456 ( -2.241 0.000 0.534) 2.304 8.555 ( -4.812 0.000 -1.170) 4.953 8.580 ( 8.648 0.000 3.645) 9.385 8.693 ( -1.233 0.000 7.760) 7.858 8.818 ( 3.498 0.000 -8.219) 8.932 8.832 ( 10.135 0.000 3.068) 10.589 8.961 ( 4.567 0.000 5.180) 6.906 9.109 ( 7.733 0.000 0.014) 7.733 9.319 ( 1.823 0.000 -7.191) 7.418 9.352 ( 8.517 0.000 -2.786) 8.961 9.444 ( 15.567 0.000 20.400) 25.661 9.859 ( -5.092 0.000 16.859) 17.611 9.996 ( 5.825 0.000 7.862) 9.784 10.020 ( 1.388 0.000 3.410) 3.682 10.155 ( -9.117 0.000 5.754) 10.780 10.288 ( 5.719 0.000 -6.868) 8.937 10.361 ( -4.469 0.000 0.564) 4.505 10.397 ( -1.391 0.000 0.306) 1.424 10.715 ( 2.676 0.000 1.992) 3.336 10.982 ( 8.654 0.000 -7.102) 11.195 11.090 ( 6.454 0.000 1.017) 6.534 11.116 ( 17.189 0.000 -8.319) 19.096 11.439 ( -12.816 0.000 -4.671) 13.641 11.455 ( 6.923 0.000 0.959) 6.989 11.469 ( 12.081 0.000 -0.921) 12.116 11.671 ( -4.414 0.000 8.933) 9.964 12.134 ( -11.258 0.000 -6.372) 12.936 12.338 ( 2.676 0.000 -30.855) 30.971 12.450 ( -2.575 0.000 10.012) 10.338 12.450 ( -5.510 0.000 -3.584) 6.574 12.592 ( 4.455 0.000 -4.292) 6.186 12.776 ( 0.317 0.000 -0.438) 0.541 12.879 ( -1.448 0.000 0.615) 1.573 12.976 ( 4.488 0.000 6.864) 8.201 13.047 ( 1.139 0.000 -4.605) 4.744 13.303 ( 6.708 0.000 -6.808) 9.557 13.404 ( 1.949 0.000 -7.276) 7.532 13.489 ( -1.828 0.000 -17.846) 17.940 13.580 ( 0.784 0.000 7.234) 7.276 13.646 ( -4.096 0.000 2.155) 4.629 13.850 ( 1.375 0.000 5.894) 6.052 15.395 ( 3.640 0.000 -1.738) 4.034 15.510 ( 0.244 0.000 -1.662) 1.680 15.590 ( 2.601 0.000 0.838) 2.733 15.864 ( -2.804 0.000 -1.784) 3.324 15.943 ( -2.937 0.000 -0.270) 2.949 16.189 ( 1.133 0.000 5.889) 5.997 16.670 ( -9.553 0.000 -0.617) 9.573 16.718 ( 8.532 0.000 2.504) 8.892 16.821 ( -5.768 0.000 3.968) 7.001 16.990 ( 5.746 0.000 -6.966) 9.030 17.149 ( 5.455 0.000 6.114) 8.194 17.842 ( 1.174 0.000 0.225) 1.196 17.920 ( 2.437 0.000 1.455) 2.838 18.216 ( -14.775 0.000 -5.471) 15.756 18.543 ( -8.010 0.000 1.857) 8.222 18.668 ( 0.305 0.000 3.444) 3.458 19.011 ( 6.566 0.000 -5.051) 8.284 19.176 ( -3.376 0.000 1.806) 3.829 19.281 ( -1.929 0.000 0.235) 1.943 19.490 ( -4.998 0.000 10.767) 11.870 19.498 ( -5.209 0.000 -3.951) 6.538 19.616 ( 0.766 0.000 -2.419) 2.538 19.758 ( 5.666 0.000 12.068) 13.332 19.853 ( -0.962 0.000 1.183) 1.525 20.467 ( 2.897 0.000 5.877) 6.552 20.504 ( -3.518 0.000 29.919) 30.125 20.701 ( 0.929 0.000 8.078) 8.132 20.929 ( 7.631 0.000 0.012) 7.631 21.275 ( -3.150 0.000 10.725) 11.178 21.413 ( -5.465 0.000 -1.817) 5.759 21.477 ( -4.438 0.000 -5.598) 7.143 21.861 ( 1.209 0.000 -0.108) 1.214 21.966 ( -3.975 0.000 2.325) 4.605 22.127 ( 0.470 0.000 1.955) 2.011 22.192 ( -2.973 0.000 0.123) 2.976 22.281 ( 0.353 0.000 -13.635) 13.639 22.614 ( 0.375 0.000 0.176) 0.414 22.632 ( -0.372 0.000 -2.205) 2.237 22.670 ( -0.592 0.000 0.685) 0.906 22.705 ( -0.487 0.000 0.624) 0.791 23.038 ( 2.800 0.000 -1.848) 3.355 23.185 ( 1.144 0.000 -0.886) 1.447 23.273 ( 0.388 0.000 1.370) 1.424 23.404 ( -1.678 0.000 10.078) 10.217 23.606 ( -3.246 0.000 2.203) 3.923 23.841 ( 2.941 0.000 -3.462) 4.542 24.049 ( 7.442 0.000 -2.626) 7.892 24.181 ( 0.209 0.000 1.078) 1.098 24.271 ( 1.354 0.000 -18.181) 18.231 24.374 ( -11.388 0.000 -0.740) 11.412 24.639 ( -1.239 0.000 0.863) 1.510 24.765 ( -10.010 0.000 4.091) 10.813 25.002 ( -0.904 0.000 -6.823) 6.882 25.055 ( -4.070 0.000 -0.964) 4.182 25.087 ( 1.934 0.000 1.340) 2.353 25.185 ( 1.616 0.000 -1.010) 1.906 25.320 ( 3.154 0.000 -2.983) 4.341 25.495 ( 2.902 0.000 4.190) 5.096 25.560 ( -6.050 0.000 0.317) 6.058 25.647 ( 0.015 0.000 1.630) 1.630 25.876 ( 7.892 0.000 -4.350) 9.012 25.997 ( 10.241 0.000 1.200) 10.311 26.235 ( 9.283 0.000 2.206) 9.542 27.243 ( -4.742 0.000 -6.017) 7.661 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 26.592 0.000 10.877) 28.730 1.709 ( 36.647 0.000 16.999) 40.398 2.249 ( 24.693 0.000 1.148) 24.720 2.275 ( -0.792 0.000 -5.701) 5.755 2.343 ( 7.737 0.000 -10.913) 13.377 2.737 ( -2.373 0.000 -4.293) 4.905 2.832 ( 6.651 0.000 -7.115) 9.740 2.971 ( 6.583 0.000 3.857) 7.630 2.996 ( 4.286 0.000 0.351) 4.300 3.238 ( 6.306 0.000 0.436) 6.321 3.282 ( -5.661 0.000 -8.637) 10.327 3.359 ( 7.914 0.000 9.697) 12.516 3.428 ( -8.932 0.000 12.543) 15.398 3.671 ( -7.841 0.000 -11.965) 14.306 3.687 ( 2.197 0.000 -3.450) 4.090 3.857 ( 13.277 0.000 5.838) 14.504 3.911 ( -2.387 0.000 3.076) 3.893 3.999 ( -7.891 0.000 9.129) 12.067 4.090 ( -5.854 0.000 -8.435) 10.267 4.249 ( -5.368 0.000 -5.269) 7.522 4.298 ( -3.432 0.000 1.322) 3.678 4.400 ( 5.788 0.000 6.701) 8.854 4.652 ( 8.192 0.000 -9.588) 12.611 4.665 ( -6.039 0.000 -3.331) 6.897 4.826 ( 1.489 0.000 8.033) 8.170 4.910 ( 13.121 0.000 -6.704) 14.735 4.917 ( 3.989 0.000 -3.147) 5.081 5.049 ( -5.384 0.000 -4.360) 6.928 5.137 ( -2.419 0.000 6.736) 7.157 5.196 ( 0.323 0.000 9.124) 9.129 5.344 ( -10.242 0.000 -4.685) 11.263 5.408 ( -1.531 0.000 2.435) 2.876 5.434 ( -2.066 0.000 -5.127) 5.527 5.473 ( 0.535 0.000 5.069) 5.097 5.536 ( -4.680 0.000 4.681) 6.620 5.644 ( 4.712 0.000 0.428) 4.731 5.738 ( -2.971 0.000 -1.168) 3.192 5.938 ( -9.831 0.000 -12.176) 15.650 5.969 ( 4.141 0.000 5.570) 6.941 6.001 ( 5.266 0.000 -0.563) 5.296 6.008 ( -1.309 0.000 -8.085) 8.191 6.117 ( -7.762 0.000 11.888) 14.198 6.160 ( -8.340 0.000 -12.230) 14.803 6.345 ( -11.230 0.000 6.096) 12.778 6.352 ( 0.876 0.000 9.723) 9.762 6.484 ( -4.325 0.000 -12.282) 13.021 6.498 ( -19.475 0.000 -2.478) 19.632 6.524 ( -10.138 0.000 6.528) 12.058 6.998 ( 9.137 0.000 -11.802) 14.926 7.166 ( -1.068 0.000 -1.687) 1.997 7.286 ( -5.519 0.000 -5.452) 7.758 7.373 ( -0.844 0.000 -6.045) 6.103 7.434 ( -4.853 0.000 1.998) 5.249 7.490 ( -5.029 0.000 0.371) 5.042 7.572 ( -8.532 0.000 13.939) 16.342 7.649 ( -0.414 0.000 12.779) 12.786 7.780 ( 5.099 0.000 -2.063) 5.500 7.900 ( -2.181 0.000 -6.383) 6.746 7.923 ( -3.358 0.000 -1.684) 3.757 8.054 ( 1.212 0.000 -3.266) 3.484 8.173 ( -7.309 0.000 23.024) 24.157 8.295 ( -4.925 0.000 -21.890) 22.437 8.309 ( 3.634 0.000 -9.014) 9.719 8.419 ( -1.198 0.000 1.675) 2.059 8.484 ( -1.956 0.000 -3.917) 4.379 8.695 ( 1.187 0.000 6.042) 6.157 8.806 ( 11.419 0.000 3.923) 12.074 8.842 ( -0.272 0.000 -5.664) 5.671 9.001 ( 5.095 0.000 -0.144) 5.097 9.120 ( 7.476 0.000 11.489) 13.707 9.262 ( -6.148 0.000 -3.228) 6.944 9.419 ( 8.471 0.000 5.898) 10.323 9.475 ( 12.935 0.000 -19.930) 23.759 9.693 ( 4.265 0.000 8.815) 9.792 9.745 ( -4.229 0.000 18.940) 19.406 9.976 ( -4.607 0.000 5.077) 6.855 10.070 ( 2.094 0.000 -0.362) 2.125 10.263 ( -8.374 0.000 -3.231) 8.975 10.268 ( 10.278 0.000 5.239) 11.536 10.420 ( 7.192 0.000 -1.186) 7.289 10.466 ( 10.553 0.000 -0.587) 10.569 10.789 ( 3.276 0.000 7.576) 8.254 11.125 ( -14.570 0.000 -2.093) 14.719 11.155 ( 4.563 0.000 -11.042) 11.948 11.216 ( 6.557 0.000 -1.445) 6.715 11.326 ( 5.802 0.000 -2.283) 6.235 11.556 ( 2.038 0.000 0.577) 2.118 11.566 ( -3.954 0.000 3.679) 5.401 11.865 ( -10.713 0.000 3.618) 11.307 11.892 ( 21.766 0.000 -2.831) 21.949 12.220 ( -11.854 0.000 -9.335) 15.088 12.415 ( -3.116 0.000 7.471) 8.094 12.456 ( 9.694 0.000 -10.935) 14.613 12.680 ( 4.784 0.000 1.097) 4.908 12.763 ( -2.100 0.000 -1.823) 2.781 12.850 ( -1.094 0.000 -0.706) 1.302 13.042 ( 0.502 0.000 2.455) 2.506 13.129 ( 5.827 0.000 7.772) 9.714 13.220 ( -9.541 0.000 -9.498) 13.462 13.397 ( -3.992 0.000 -12.808) 13.415 13.434 ( -1.240 0.000 -1.744) 2.140 13.596 ( -0.457 0.000 6.178) 6.195 13.711 ( 7.853 0.000 3.121) 8.450 13.882 ( 0.838 0.000 2.253) 2.404 15.495 ( 5.797 0.000 -1.405) 5.965 15.505 ( -0.182 0.000 -1.786) 1.795 15.726 ( 10.496 0.000 1.899) 10.666 15.776 ( -4.929 0.000 -2.155) 5.380 15.876 ( -2.782 0.000 0.468) 2.821 16.249 ( 3.411 0.000 5.428) 6.411 16.399 ( -15.105 0.000 -4.240) 15.689 16.672 ( -7.524 0.000 -0.556) 7.545 16.983 ( 15.517 0.000 2.420) 15.705 17.132 ( 6.921 0.000 -1.190) 7.022 17.262 ( 3.853 0.000 2.852) 4.793 17.799 ( -19.075 0.000 1.087) 19.106 17.889 ( 3.396 0.000 -0.255) 3.405 18.020 ( 2.564 0.000 -5.256) 5.848 18.340 ( -10.406 0.000 1.893) 10.577 18.686 ( 0.598 0.000 2.929) 2.990 19.057 ( -3.520 0.000 6.641) 7.516 19.167 ( 4.515 0.000 -6.591) 7.989 19.228 ( -2.650 0.000 -0.717) 2.745 19.384 ( -3.993 0.000 -3.003) 4.996 19.413 ( -3.559 0.000 3.522) 5.007 19.640 ( 2.194 0.000 -3.839) 4.422 19.797 ( -4.383 0.000 2.017) 4.824 19.879 ( 4.428 0.000 -3.771) 5.816 20.529 ( 0.901 0.000 29.197) 29.211 20.610 ( 8.814 0.000 13.284) 15.942 20.720 ( 0.841 0.000 -9.729) 9.765 21.044 ( -0.196 0.000 -9.763) 9.765 21.173 ( -7.277 0.000 -3.484) 8.068 21.310 ( -3.046 0.000 5.383) 6.185 21.407 ( 2.564 0.000 -3.379) 4.242 21.822 ( -8.910 0.000 3.477) 9.565 21.917 ( 2.837 0.000 -1.128) 3.052 22.115 ( -4.031 0.000 0.547) 4.068 22.153 ( 1.420 0.000 3.313) 3.604 22.253 ( -1.115 0.000 -7.041) 7.129 22.621 ( -0.098 0.000 -2.170) 2.172 22.625 ( 0.560 0.000 0.161) 0.583 22.657 ( -0.735 0.000 0.892) 1.156 22.693 ( -0.621 0.000 0.526) 0.814 23.107 ( 3.530 0.000 -2.383) 4.259 23.191 ( -0.346 0.000 -1.192) 1.242 23.330 ( 4.706 0.000 2.322) 5.248 23.387 ( -1.361 0.000 6.463) 6.605 23.545 ( -2.896 0.000 0.811) 3.007 23.902 ( 2.988 0.000 -3.676) 4.737 24.123 ( -10.638 0.000 -0.691) 10.661 24.189 ( 0.253 0.000 1.532) 1.553 24.222 ( 8.886 0.000 -3.034) 9.390 24.265 ( 0.307 0.000 -6.586) 6.593 24.560 ( -6.238 0.000 2.435) 6.696 24.573 ( -7.795 0.000 2.519) 8.192 24.960 ( -1.489 0.000 -2.000) 2.493 24.992 ( -1.598 0.000 -0.321) 1.630 25.135 ( 1.853 0.000 -0.574) 1.939 25.196 ( -0.082 0.000 0.777) 0.782 25.384 ( 2.686 0.000 -2.009) 3.355 25.456 ( -3.504 0.000 0.025) 3.505 25.553 ( 1.847 0.000 1.885) 2.639 25.681 ( 1.995 0.000 1.048) 2.254 26.006 ( 4.734 0.000 -2.395) 5.306 26.195 ( 7.175 0.000 1.168) 7.269 26.484 ( 12.750 0.000 2.211) 12.940 27.086 ( -8.960 0.000 -3.382) 9.577 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 -0.000) 0.000 2.322 ( -0.000 0.000 -0.000) 0.000 2.478 ( 0.000 0.000 -0.000) 0.000 2.524 ( 0.000 0.000 -0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.610 ( -0.000 0.000 -0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 -0.000) 0.000 3.298 ( 0.000 0.000 -0.000) 0.000 3.352 ( -0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 -0.000) 0.000 3.504 ( 0.000 0.000 -0.000) 0.000 3.786 ( 0.000 0.000 -0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 3.983 ( -0.000 0.000 -0.000) 0.000 4.017 ( 0.000 0.000 -0.000) 0.000 4.256 ( 0.000 0.000 -0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 -0.000) 0.000 4.485 ( 0.000 0.000 -0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 -0.000) 0.000 4.823 ( 0.000 0.000 -0.000) 0.000 5.058 ( 0.000 0.000 -0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.159 ( -0.000 0.000 -0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.196 ( -0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 -0.000) 0.000 5.442 ( -0.000 0.000 -0.000) 0.000 5.511 ( 0.000 0.000 -0.000) 0.000 5.537 ( 0.000 0.000 -0.000) 0.000 5.553 ( 0.000 0.000 -0.000) 0.000 5.670 ( 0.000 0.000 -0.000) 0.000 5.811 ( 0.000 0.000 -0.000) 0.000 5.935 ( 0.000 0.000 -0.000) 0.000 6.060 ( 0.000 0.000 -0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 -0.000) 0.000 6.257 ( -0.000 0.000 -0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 -0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 -0.000) 0.000 7.234 ( 0.000 0.000 -0.000) 0.000 7.238 ( -0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.450 ( -0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 -0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 -0.000) 0.000 7.877 ( 0.000 0.000 -0.000) 0.000 7.887 ( 0.000 0.000 -0.000) 0.000 8.061 ( 0.000 0.000 -0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.171 ( -0.000 0.000 -0.000) 0.000 8.343 ( -0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 -0.000) 0.000 8.459 ( 0.000 0.000 -0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 -0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 -0.000) 0.000 9.086 ( -0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.346 ( -0.000 0.000 -0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 9.835 ( -0.000 0.000 -0.000) 0.000 9.942 ( 0.000 0.000 -0.000) 0.000 9.999 ( 0.000 0.000 -0.000) 0.000 10.111 ( 0.000 0.000 -0.000) 0.000 10.340 ( 0.000 0.000 -0.000) 0.000 10.602 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 -0.000) 0.000 10.883 ( -0.000 0.000 -0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.041 ( -0.000 0.000 -0.000) 0.000 11.392 ( 0.000 0.000 -0.000) 0.000 11.396 ( 0.000 0.000 -0.000) 0.000 11.520 ( 0.000 0.000 -0.000) 0.000 11.525 ( 0.000 0.000 -0.000) 0.000 11.800 ( 0.000 0.000 -0.000) 0.000 12.026 ( -0.000 0.000 -0.000) 0.000 12.195 ( 0.000 0.000 -0.000) 0.000 12.342 ( 0.000 0.000 -0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 12.681 ( 0.000 0.000 0.000) 0.000 12.803 ( -0.000 0.000 -0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 -0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.305 ( 0.000 0.000 -0.000) 0.000 13.417 ( 0.000 0.000 0.000) 0.000 13.594 ( 0.000 0.000 -0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.892 ( 0.000 0.000 -0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 15.593 ( 0.000 0.000 -0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 15.842 ( 0.000 0.000 -0.000) 0.000 15.982 ( 0.000 0.000 -0.000) 0.000 16.095 ( 0.000 0.000 -0.000) 0.000 16.312 ( 0.000 0.000 -0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 17.217 ( 0.000 0.000 0.000) 0.000 17.305 ( 0.000 0.000 -0.000) 0.000 17.321 ( -0.000 0.000 -0.000) 0.000 17.419 ( 0.000 0.000 -0.000) 0.000 17.952 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 -0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 18.696 ( 0.000 0.000 -0.000) 0.000 19.014 ( 0.000 0.000 -0.000) 0.000 19.194 ( 0.000 0.000 -0.000) 0.000 19.226 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 0.000 -0.000) 0.000 19.369 ( 0.000 0.000 -0.000) 0.000 19.689 ( 0.000 0.000 0.000) 0.000 19.716 ( 0.000 0.000 0.000) 0.000 19.921 ( 0.000 0.000 0.000) 0.000 20.598 ( 0.000 0.000 0.000) 0.000 20.708 ( 0.000 0.000 -0.000) 0.000 20.814 ( 0.000 0.000 0.000) 0.000 20.912 ( -0.000 0.000 -0.000) 0.000 21.063 ( 0.000 0.000 -0.000) 0.000 21.287 ( 0.000 0.000 0.000) 0.000 21.545 ( 0.000 0.000 -0.000) 0.000 21.640 ( -0.000 0.000 0.000) 0.000 21.968 ( 0.000 0.000 -0.000) 0.000 22.054 ( -0.000 0.000 0.000) 0.000 22.183 ( 0.000 0.000 0.000) 0.000 22.223 ( 0.000 0.000 -0.000) 0.000 22.619 ( 0.000 0.000 0.000) 0.000 22.632 ( 0.000 0.000 0.000) 0.000 22.648 ( 0.000 0.000 -0.000) 0.000 22.686 ( 0.000 0.000 -0.000) 0.000 23.148 ( 0.000 0.000 -0.000) 0.000 23.183 ( 0.000 0.000 0.000) 0.000 23.376 ( 0.000 0.000 0.000) 0.000 23.424 ( -0.000 0.000 -0.000) 0.000 23.488 ( 0.000 0.000 -0.000) 0.000 23.933 ( 0.000 0.000 -0.000) 0.000 23.995 ( 0.000 0.000 -0.000) 0.000 24.194 ( 0.000 0.000 -0.000) 0.000 24.262 ( 0.000 0.000 0.000) 0.000 24.388 ( 0.000 0.000 -0.000) 0.000 24.419 ( -0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 -0.000) 0.000 24.942 ( 0.000 0.000 0.000) 0.000 24.977 ( 0.000 0.000 -0.000) 0.000 25.154 ( 0.000 0.000 -0.000) 0.000 25.195 ( 0.000 0.000 0.000) 0.000 25.412 ( 0.000 0.000 -0.000) 0.000 25.418 ( 0.000 0.000 -0.000) 0.000 25.575 ( 0.000 0.000 -0.000) 0.000 25.706 ( 0.000 0.000 -0.000) 0.000 26.056 ( 0.000 0.000 -0.000) 0.000 26.275 ( 0.000 0.000 -0.000) 0.000 26.685 ( 0.000 0.000 -0.000) 0.000 26.926 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 23.133 0.000) 23.133 0.696 ( 0.000 36.770 0.000) 36.770 1.174 ( 0.000 57.359 0.000) 57.359 2.058 ( 0.000 -7.764 0.000) 7.764 2.459 ( 0.000 -2.903 0.000) 2.903 2.539 ( 0.000 -10.146 0.000) 10.146 2.612 ( 0.000 -13.211 0.000) 13.211 2.753 ( 0.000 2.743 0.000) 2.743 3.015 ( 0.000 15.464 0.000) 15.464 3.126 ( 0.000 -0.971 0.000) 0.971 3.212 ( 0.000 9.066 0.000) 9.066 3.372 ( 0.000 13.856 0.000) 13.856 3.445 ( 0.000 2.536 0.000) 2.536 3.577 ( 0.000 -3.575 0.000) 3.575 3.692 ( 0.000 -1.789 0.000) 1.789 3.744 ( 0.000 1.607 0.000) 1.607 3.927 ( 0.000 -15.701 0.000) 15.701 4.066 ( 0.000 -7.098 0.000) 7.098 4.124 ( 0.000 6.263 0.000) 6.263 4.364 ( 0.000 1.138 0.000) 1.138 4.434 ( 0.000 -7.418 0.000) 7.418 4.482 ( 0.000 -6.011 0.000) 6.011 4.606 ( 0.000 5.250 0.000) 5.250 4.744 ( 0.000 1.497 0.000) 1.497 4.857 ( 0.000 8.760 0.000) 8.760 4.911 ( 0.000 -4.309 0.000) 4.309 4.945 ( 0.000 3.264 0.000) 3.264 5.066 ( 0.000 4.749 0.000) 4.749 5.193 ( 0.000 5.010 0.000) 5.010 5.320 ( 0.000 -2.058 0.000) 2.058 5.323 ( 0.000 -4.234 0.000) 4.234 5.388 ( 0.000 5.410 0.000) 5.410 5.560 ( 0.000 2.410 0.000) 2.410 5.598 ( 0.000 -2.593 0.000) 2.593 5.602 ( 0.000 -1.541 0.000) 1.541 5.668 ( 0.000 4.743 0.000) 4.743 5.718 ( 0.000 1.568 0.000) 1.568 5.850 ( 0.000 -6.398 0.000) 6.398 5.974 ( 0.000 -4.220 0.000) 4.220 6.093 ( 0.000 6.381 0.000) 6.381 6.095 ( 0.000 -7.551 0.000) 7.551 6.244 ( 0.000 -0.444 0.000) 0.444 6.268 ( 0.000 2.849 0.000) 2.849 6.387 ( 0.000 1.465 0.000) 1.465 6.479 ( 0.000 -3.588 0.000) 3.588 6.664 ( 0.000 2.799 0.000) 2.799 6.797 ( 0.000 6.086 0.000) 6.086 7.137 ( 0.000 -17.536 0.000) 17.536 7.149 ( 0.000 -2.602 0.000) 2.602 7.198 ( 0.000 -0.727 0.000) 0.727 7.275 ( 0.000 -11.342 0.000) 11.342 7.355 ( 0.000 -8.284 0.000) 8.284 7.469 ( 0.000 -12.353 0.000) 12.353 7.601 ( 0.000 -11.730 0.000) 11.730 7.620 ( 0.000 0.794 0.000) 0.794 7.783 ( 0.000 -14.087 0.000) 14.087 7.839 ( 0.000 0.371 0.000) 0.371 7.979 ( 0.000 -0.281 0.000) 0.281 7.991 ( 0.000 0.704 0.000) 0.704 8.095 ( 0.000 -16.771 0.000) 16.771 8.179 ( 0.000 -0.816 0.000) 0.816 8.219 ( 0.000 4.873 0.000) 4.873 8.384 ( 0.000 -6.134 0.000) 6.134 8.464 ( 0.000 -2.517 0.000) 2.517 8.491 ( 0.000 -1.296 0.000) 1.296 8.585 ( 0.000 -3.925 0.000) 3.925 8.655 ( 0.000 4.120 0.000) 4.120 8.703 ( 0.000 -0.225 0.000) 0.225 8.859 ( 0.000 0.614 0.000) 0.614 8.901 ( 0.000 -0.265 0.000) 0.265 9.050 ( 0.000 -1.003 0.000) 1.003 9.240 ( 0.000 8.079 0.000) 8.079 9.302 ( 0.000 0.709 0.000) 0.709 9.335 ( 0.000 5.293 0.000) 5.293 9.866 ( 0.000 4.203 0.000) 4.203 9.940 ( 0.000 1.637 0.000) 1.637 10.003 ( 0.000 -0.010 0.000) 0.010 10.006 ( 0.000 -1.648 0.000) 1.648 10.339 ( 0.000 13.035 0.000) 13.035 10.477 ( 0.000 6.376 0.000) 6.376 10.656 ( 0.000 4.109 0.000) 4.109 10.679 ( 0.000 -1.087 0.000) 1.087 10.816 ( 0.000 5.586 0.000) 5.586 10.820 ( 0.000 1.308 0.000) 1.308 11.129 ( 0.000 10.703 0.000) 10.703 11.249 ( 0.000 -3.231 0.000) 3.231 11.487 ( 0.000 2.208 0.000) 2.208 11.663 ( 0.000 -2.896 0.000) 2.896 11.723 ( 0.000 -2.422 0.000) 2.422 12.085 ( 0.000 -15.432 0.000) 15.432 12.146 ( 0.000 -13.572 0.000) 13.572 12.261 ( 0.000 -8.099 0.000) 8.099 12.530 ( 0.000 5.423 0.000) 5.423 12.644 ( 0.000 6.519 0.000) 6.519 12.653 ( 0.000 -8.330 0.000) 8.330 12.901 ( 0.000 1.834 0.000) 1.834 13.093 ( 0.000 9.643 0.000) 9.643 13.104 ( 0.000 10.177 0.000) 10.177 13.138 ( 0.000 -3.618 0.000) 3.618 13.430 ( 0.000 3.356 0.000) 3.356 13.504 ( 0.000 1.958 0.000) 1.958 13.506 ( 0.000 -4.279 0.000) 4.279 13.787 ( 0.000 -2.407 0.000) 2.407 13.822 ( 0.000 2.346 0.000) 2.346 15.409 ( 0.000 4.841 0.000) 4.841 15.550 ( 0.000 -1.486 0.000) 1.486 15.587 ( 0.000 1.546 0.000) 1.546 15.768 ( 0.000 -9.367 0.000) 9.367 15.982 ( 0.000 5.617 0.000) 5.617 16.406 ( 0.000 16.062 0.000) 16.062 16.613 ( 0.000 -3.546 0.000) 3.546 16.789 ( 0.000 2.714 0.000) 2.714 16.869 ( 0.000 8.413 0.000) 8.413 16.929 ( 0.000 -0.755 0.000) 0.755 17.006 ( 0.000 -4.726 0.000) 4.726 17.741 ( 0.000 -9.019 0.000) 9.019 18.175 ( 0.000 11.044 0.000) 11.044 18.322 ( 0.000 -5.193 0.000) 5.193 18.621 ( 0.000 6.724 0.000) 6.724 18.786 ( 0.000 3.993 0.000) 3.993 18.937 ( 0.000 -5.240 0.000) 5.240 18.991 ( 0.000 16.179 0.000) 16.179 19.180 ( 0.000 -7.854 0.000) 7.854 19.402 ( 0.000 5.328 0.000) 5.328 19.613 ( 0.000 4.386 0.000) 4.386 19.670 ( 0.000 9.366 0.000) 9.366 19.854 ( 0.000 0.251 0.000) 0.251 20.321 ( 0.000 -7.005 0.000) 7.005 20.408 ( 0.000 -2.141 0.000) 2.141 20.507 ( 0.000 -3.694 0.000) 3.694 20.749 ( 0.000 3.042 0.000) 3.042 20.800 ( 0.000 -3.827 0.000) 3.827 21.107 ( 0.000 -1.118 0.000) 1.118 21.329 ( 0.000 -13.485 0.000) 13.485 21.492 ( 0.000 -3.480 0.000) 3.480 21.907 ( 0.000 5.365 0.000) 5.365 22.027 ( 0.000 -1.758 0.000) 1.758 22.123 ( 0.000 1.477 0.000) 1.477 22.258 ( 0.000 2.907 0.000) 2.907 22.293 ( 0.000 3.049 0.000) 3.049 22.619 ( 0.000 -0.921 0.000) 0.921 22.623 ( 0.000 1.325 0.000) 1.325 22.727 ( 0.000 1.412 0.000) 1.412 22.937 ( 0.000 -2.335 0.000) 2.335 22.946 ( 0.000 -1.334 0.000) 1.334 22.979 ( 0.000 -3.210 0.000) 3.210 23.311 ( 0.000 3.825 0.000) 3.825 23.614 ( 0.000 -0.635 0.000) 0.635 23.832 ( 0.000 2.204 0.000) 2.204 23.868 ( 0.000 2.085 0.000) 2.085 23.954 ( 0.000 -0.421 0.000) 0.421 24.185 ( 0.000 0.885 0.000) 0.885 24.200 ( 0.000 3.214 0.000) 3.214 24.578 ( 0.000 -5.943 0.000) 5.943 24.645 ( 0.000 -5.746 0.000) 5.746 24.957 ( 0.000 0.291 0.000) 0.291 25.006 ( 0.000 0.620 0.000) 0.620 25.033 ( 0.000 -5.475 0.000) 5.475 25.110 ( 0.000 -0.581 0.000) 0.581 25.205 ( 0.000 -6.335 0.000) 6.335 25.402 ( 0.000 0.490 0.000) 0.490 25.446 ( 0.000 2.960 0.000) 2.960 25.656 ( 0.000 2.987 0.000) 2.987 25.694 ( 0.000 -1.753 0.000) 1.753 25.791 ( 0.000 9.330 0.000) 9.330 25.815 ( 0.000 -0.865 0.000) 0.865 26.137 ( 0.000 -0.774 0.000) 0.774 26.807 ( 0.000 -6.496 0.000) 6.496 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 30.396 11.291 1.487) 32.460 1.114 ( 30.624 21.298 21.903) 43.257 1.653 ( 33.507 30.492 3.296) 45.424 2.142 ( 8.491 -4.335 -4.620) 10.594 2.360 ( -5.933 -4.207 -5.531) 9.137 2.544 ( 3.810 -9.725 2.483) 10.736 2.692 ( 5.555 -5.885 1.714) 8.272 2.796 ( 0.395 -3.647 -5.421) 6.545 3.020 ( 2.413 9.114 0.741) 9.457 3.186 ( 2.614 4.074 -8.197) 9.519 3.296 ( 7.371 -2.772 -0.556) 7.895 3.348 ( -0.389 8.131 1.206) 8.229 3.499 ( 0.243 2.149 2.257) 3.126 3.634 ( 4.713 -4.226 -2.314) 6.740 3.678 ( -3.491 2.583 2.955) 5.253 3.789 ( 4.817 7.348 1.520) 8.916 3.917 ( 0.526 -14.870 -4.263) 15.477 4.036 ( -1.017 -2.080 -1.819) 2.945 4.212 ( -6.378 -6.875 -0.770) 9.410 4.243 ( 0.230 0.836 -0.638) 1.076 4.277 ( -7.254 -3.982 2.478) 8.638 4.541 ( 0.112 6.555 1.203) 6.666 4.581 ( -0.595 -5.133 3.592) 6.294 4.730 ( -6.330 7.356 3.457) 10.302 4.800 ( -3.407 5.279 -4.564) 7.766 4.855 ( 0.950 1.863 1.006) 2.321 5.008 ( -3.758 5.272 -1.366) 6.617 5.066 ( 5.566 -2.983 5.500) 8.374 5.072 ( -3.352 1.430 4.638) 5.898 5.218 ( -4.171 -2.334 1.702) 5.074 5.326 ( 2.025 1.351 -2.987) 3.854 5.414 ( 2.340 6.068 -7.035) 9.581 5.517 ( -1.962 4.007 -3.457) 5.644 5.552 ( -2.410 -1.747 -1.967) 3.567 5.671 ( -1.779 1.780 -0.156) 2.522 5.719 ( -0.474 -2.698 -2.684) 3.835 5.774 ( 5.157 0.101 0.390) 5.173 5.852 ( -7.718 5.646 -3.045) 10.036 5.921 ( 5.641 -6.790 1.334) 8.928 5.982 ( -3.714 -6.046 -7.394) 10.248 6.076 ( -2.278 -0.209 -5.241) 5.719 6.185 ( -4.899 3.939 -2.824) 6.892 6.316 ( 2.138 2.529 4.889) 5.905 6.438 ( 5.250 -1.943 -5.454) 7.816 6.527 ( -1.180 1.136 5.741) 5.970 6.553 ( -7.949 0.191 7.589) 10.991 6.729 ( -9.003 -2.737 1.490) 9.528 6.911 ( -10.929 -3.414 -0.352) 11.455 7.031 ( -19.072 -0.021 -9.149) 21.153 7.213 ( -3.205 -7.694 12.325) 14.879 7.240 ( 3.901 -1.517 -5.254) 6.718 7.308 ( -2.409 -14.750 0.610) 14.958 7.467 ( 2.764 3.581 -1.241) 4.691 7.525 ( -2.736 -9.868 -3.974) 10.984 7.595 ( -6.911 -8.897 7.674) 13.631 7.712 ( 0.566 -1.916 1.320) 2.395 7.815 ( -7.035 -9.106 4.255) 12.268 7.900 ( -5.512 -0.826 -0.993) 5.661 7.942 ( -3.101 -3.652 6.264) 7.886 7.998 ( -4.416 -1.867 -2.139) 5.250 8.176 ( -0.106 -2.224 -5.759) 6.174 8.292 ( -1.403 -0.296 -5.103) 5.301 8.331 ( -3.539 -4.674 6.714) 8.913 8.421 ( -6.426 -1.500 -4.417) 7.941 8.528 ( 2.409 -0.531 -8.429) 8.783 8.605 ( 5.390 -6.626 3.342) 9.172 8.699 ( 7.255 -0.459 0.899) 7.325 8.759 ( -4.432 -0.447 1.612) 4.738 8.865 ( 11.989 -1.039 -1.525) 12.130 8.990 ( 8.047 -1.351 -4.581) 9.357 9.106 ( 2.004 3.623 5.030) 6.515 9.302 ( 8.664 2.389 -7.823) 11.915 9.345 ( 4.811 0.691 1.233) 5.014 9.552 ( 13.080 2.820 8.497) 15.850 9.808 ( -8.324 -2.975 9.974) 13.327 9.888 ( -3.428 -3.687 -3.704) 6.250 10.009 ( -1.968 1.371 7.592) 7.962 10.201 ( 9.623 -6.600 6.580) 13.396 10.310 ( -10.767 7.072 8.956) 15.689 10.447 ( 6.012 12.429 -1.858) 13.931 10.552 ( 4.190 9.573 -2.120) 10.663 10.729 ( -0.003 3.681 5.113) 6.300 10.984 ( 11.257 0.642 -5.862) 12.708 11.047 ( 11.336 -0.047 -4.921) 12.358 11.081 ( 0.758 -2.203 -2.673) 3.546 11.423 ( 8.795 0.862 -0.686) 8.864 11.465 ( -2.795 -0.340 -0.763) 2.917 11.510 ( -4.214 -0.837 -5.515) 6.991 11.783 ( 0.436 5.390 3.724) 6.566 12.053 ( -0.822 -8.568 -7.762) 11.591 12.129 ( -0.050 -10.360 -7.153) 12.589 12.292 ( 3.055 -11.520 3.796) 12.508 12.457 ( -6.619 -0.588 -1.069) 6.731 12.630 ( -0.641 0.520 -3.157) 3.263 12.681 ( 3.151 -1.168 0.508) 3.399 12.941 ( 0.800 0.568 1.669) 1.936 13.054 ( -1.297 5.772 -2.119) 6.284 13.144 ( 2.805 8.472 2.782) 9.348 13.252 ( 4.168 -4.966 -5.936) 8.790 13.435 ( -2.440 2.147 0.347) 3.269 13.509 ( 2.006 -3.229 0.530) 3.838 13.594 ( 4.134 4.030 -3.834) 6.930 13.655 ( -1.290 3.297 -1.434) 3.820 13.892 ( 0.950 2.285 1.953) 3.152 15.435 ( 2.727 4.110 -0.653) 4.976 15.519 ( -0.776 -0.113 -2.142) 2.281 15.597 ( 1.677 1.032 0.412) 2.012 15.769 ( 0.172 -8.699 -0.022) 8.701 15.979 ( -1.562 7.574 0.758) 7.770 16.385 ( -2.509 13.411 4.605) 14.400 16.618 ( -4.495 -3.730 4.255) 7.226 16.733 ( -4.515 -2.970 -0.755) 5.457 16.811 ( 2.998 3.268 -4.523) 6.334 17.009 ( 6.784 3.759 -0.590) 7.778 17.154 ( 7.615 -0.009 3.686) 8.460 17.780 ( 3.715 -5.835 -2.275) 7.282 18.130 ( -2.392 12.314 -1.129) 12.594 18.156 ( -13.395 -1.402 0.285) 13.471 18.597 ( -2.573 5.795 -0.896) 6.403 18.853 ( -6.060 9.621 4.875) 12.371 18.992 ( 1.282 -5.469 4.184) 7.005 19.043 ( 11.850 2.004 2.227) 12.223 19.183 ( 0.462 -8.290 2.824) 8.770 19.376 ( -1.931 2.773 -4.277) 5.451 19.590 ( -3.705 5.502 -0.427) 6.647 19.637 ( -0.168 7.066 -7.557) 10.348 19.856 ( -0.496 0.747 1.341) 1.613 20.150 ( -11.666 12.743 -6.483) 18.453 20.359 ( 2.302 -7.152 8.262) 11.168 20.522 ( -0.264 -1.630 13.202) 13.305 20.736 ( -0.129 2.524 14.763) 14.978 20.877 ( 5.809 -4.964 -0.433) 7.653 21.136 ( -1.700 -7.250 -0.245) 7.450 21.278 ( -3.793 -12.291 -0.662) 12.880 21.458 ( -3.082 -3.209 -1.607) 4.730 21.912 ( 0.826 4.680 -1.117) 4.882 21.971 ( -5.480 -1.584 2.097) 6.078 22.109 ( -0.909 0.103 0.781) 1.203 22.234 ( -1.819 3.011 0.891) 3.629 22.299 ( 0.333 2.695 -5.600) 6.224 22.621 ( 0.365 0.053 -2.025) 2.059 22.630 ( 0.530 1.081 1.365) 1.820 22.721 ( -0.530 1.756 -0.364) 1.870 22.769 ( -5.591 4.186 0.465) 7.000 23.005 ( 2.702 -3.446 -1.501) 4.629 23.107 ( 5.866 -4.884 0.198) 7.636 23.299 ( -0.990 3.622 1.293) 3.971 23.534 ( -6.725 3.724 4.603) 8.960 23.649 ( -7.931 5.425 3.851) 10.351 23.849 ( 1.707 0.897 -2.450) 3.118 24.044 ( 7.016 -0.218 -2.658) 7.506 24.188 ( 0.151 0.757 0.463) 0.900 24.241 ( 0.614 0.491 -4.241) 4.313 24.491 ( -9.955 3.270 -6.005) 12.077 24.596 ( -2.204 -6.458 0.965) 6.892 24.794 ( -11.597 5.494 1.016) 12.872 24.935 ( -4.094 -4.639 2.342) 6.615 24.980 ( -0.189 -3.689 -5.918) 6.976 25.104 ( 3.157 -0.164 0.299) 3.176 25.255 ( 0.811 0.418 3.425) 3.544 25.304 ( -0.910 1.918 -2.735) 3.462 25.484 ( 1.378 -1.040 1.049) 2.020 25.598 ( -4.616 2.788 -1.370) 5.564 25.631 ( -0.374 -1.531 1.047) 1.892 25.894 ( 7.915 1.944 -3.300) 8.793 26.011 ( 10.229 1.978 1.518) 10.529 26.225 ( 8.473 -0.682 1.697) 8.668 27.023 ( 5.213 -15.686 -2.841) 16.772 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 29.478 5.969 8.014) 31.125 1.851 ( 32.714 12.844 19.028) 39.965 2.142 ( 6.293 -0.675 -7.891) 10.116 2.340 ( 6.477 -1.517 -0.901) 6.713 2.380 ( 13.946 2.454 -11.196) 18.052 2.637 ( -3.836 -4.131 -4.492) 7.208 2.714 ( 3.283 -17.481 1.067) 17.819 2.920 ( 11.676 -1.833 -0.712) 11.841 3.052 ( -3.468 1.484 -1.048) 3.915 3.170 ( -5.467 2.149 0.582) 5.903 3.339 ( -4.388 -4.389 6.036) 8.658 3.375 ( -3.369 5.562 7.286) 9.766 3.437 ( 5.257 4.808 1.344) 7.250 3.656 ( 0.718 -2.602 -5.688) 6.297 3.716 ( 2.477 2.612 -11.254) 11.815 3.884 ( -0.985 -5.850 -1.735) 6.181 3.964 ( 1.320 -2.520 -1.093) 3.048 3.971 ( -5.435 -4.226 6.765) 9.652 4.023 ( 5.965 9.309 3.786) 11.687 4.181 ( 2.325 -1.956 0.290) 3.052 4.381 ( 2.026 2.493 0.515) 3.253 4.450 ( -9.914 7.027 4.090) 12.822 4.549 ( -8.436 -5.571 -0.725) 10.136 4.646 ( 7.350 0.138 -1.397) 7.483 4.709 ( 0.994 -10.351 -4.800) 11.453 4.923 ( 0.963 5.428 6.237) 8.325 5.007 ( 2.952 -6.441 -2.219) 7.425 5.082 ( -0.350 5.358 -6.499) 8.430 5.130 ( -2.898 -0.564 6.423) 7.069 5.237 ( 3.375 -7.425 6.853) 10.653 5.276 ( -2.930 7.852 -4.673) 9.595 5.386 ( -9.216 0.987 -3.650) 9.961 5.474 ( -4.695 -0.369 4.693) 6.649 5.521 ( 1.706 2.942 0.981) 3.540 5.553 ( 1.052 11.642 -4.044) 12.369 5.661 ( 1.814 -0.620 0.026) 1.918 5.792 ( 1.694 1.410 -0.001) 2.204 5.907 ( 0.512 -3.676 1.683) 4.075 5.939 ( -3.087 2.825 -5.570) 6.967 5.982 ( 1.151 0.341 -12.156) 12.215 6.029 ( 0.989 -0.492 5.328) 5.442 6.102 ( 0.223 -4.433 1.773) 4.780 6.306 ( -10.457 4.819 -1.644) 11.631 6.317 ( -7.917 -2.079 3.714) 8.989 6.436 ( -13.587 -3.333 4.591) 14.723 6.448 ( -5.082 10.015 8.298) 13.964 6.492 ( -11.347 2.851 -8.463) 14.440 6.602 ( -8.090 4.578 -5.484) 10.793 6.899 ( 7.552 -9.038 -9.229) 14.963 7.154 ( -2.524 -5.190 8.923) 10.627 7.180 ( -5.653 -7.425 -11.936) 15.151 7.326 ( 1.974 -5.403 3.784) 6.885 7.366 ( -7.694 -10.742 8.882) 15.921 7.502 ( 0.951 -7.595 0.615) 7.679 7.544 ( -1.244 3.934 -0.511) 4.158 7.659 ( -5.781 -0.567 6.884) 9.007 7.775 ( -1.847 3.782 -0.047) 4.209 7.843 ( 2.668 -9.173 -5.155) 10.855 7.882 ( -4.304 1.144 -1.994) 4.880 7.931 ( -0.526 -3.506 3.597) 5.050 8.104 ( -3.509 -4.223 -1.590) 5.717 8.216 ( -4.709 -5.083 0.866) 6.983 8.315 ( 0.032 -3.951 -10.386) 11.112 8.379 ( 5.293 -0.400 0.745) 5.360 8.515 ( -0.902 4.813 -8.143) 9.502 8.685 ( 1.781 -2.746 7.704) 8.371 8.789 ( 4.123 -3.904 4.534) 7.266 8.912 ( 11.208 -0.110 0.726) 11.232 8.996 ( -1.397 1.917 -6.748) 7.153 9.112 ( 1.159 -7.106 4.597) 8.542 9.224 ( 6.455 3.038 0.599) 7.159 9.412 ( 6.809 -5.952 -12.057) 15.072 9.442 ( -0.521 4.620 0.854) 4.727 9.643 ( -2.623 -5.629 7.237) 9.536 9.824 ( 7.799 -17.014 2.255) 18.851 9.860 ( 2.138 8.870 9.192) 12.952 10.039 ( -0.117 -2.864 8.175) 8.663 10.144 ( -1.409 6.485 4.858) 8.224 10.347 ( 4.105 -2.990 -4.773) 6.969 10.504 ( -2.550 5.885 -2.111) 6.752 10.663 ( 2.617 13.535 1.064) 13.827 10.776 ( 5.336 -3.900 9.532) 11.599 11.034 ( -3.452 1.863 -3.993) 5.597 11.140 ( 3.066 0.637 -5.661) 6.469 11.282 ( 4.361 0.023 -2.053) 4.820 11.293 ( 0.698 0.549 -1.048) 1.374 11.478 ( 0.366 -1.281 -2.778) 3.081 11.703 ( 7.936 -10.355 -4.545) 13.816 11.750 ( -1.873 6.035 2.943) 6.971 11.990 ( 1.129 6.149 3.112) 6.984 12.176 ( -5.195 -2.876 -5.612) 8.170 12.350 ( 6.813 -7.470 -4.604) 11.109 12.375 ( 1.080 -7.260 6.206) 9.612 12.592 ( -2.511 -4.895 -3.144) 6.336 12.773 ( 5.403 2.860 -0.740) 6.157 12.942 ( -0.786 4.995 0.843) 5.127 13.041 ( 0.013 -3.628 -3.558) 5.082 13.159 ( -3.284 -2.542 -0.922) 4.254 13.223 ( -4.737 7.247 0.802) 8.695 13.380 ( -0.258 5.111 -1.534) 5.342 13.508 ( 0.066 -6.007 4.035) 7.237 13.624 ( 0.054 10.534 -4.922) 11.627 13.786 ( 7.697 4.150 0.264) 8.748 13.895 ( -0.522 1.443 2.524) 2.954 15.491 ( 0.813 0.790 -1.325) 1.743 15.522 ( 2.528 0.210 -1.775) 3.096 15.705 ( 8.136 -0.144 1.188) 8.224 15.787 ( 1.834 -4.193 -0.757) 4.639 15.922 ( -3.004 9.498 0.847) 9.997 16.340 ( -2.110 6.835 4.569) 8.488 16.396 ( -13.661 0.041 -3.228) 14.037 16.638 ( -4.857 -3.186 0.210) 5.812 16.982 ( 11.818 0.343 -0.396) 11.830 17.182 ( 7.932 3.342 2.492) 8.961 17.300 ( 5.585 3.776 0.741) 6.782 17.809 ( -13.500 1.553 -1.946) 13.727 17.890 ( 1.989 -0.407 -0.912) 2.226 18.081 ( -2.181 6.011 -0.578) 6.421 18.470 ( -8.740 9.935 0.979) 13.269 18.754 ( -2.361 7.040 0.970) 7.489 19.043 ( 2.414 -1.810 7.134) 7.745 19.159 ( 1.047 -0.691 -2.619) 2.904 19.223 ( -0.483 -1.218 -4.795) 4.971 19.359 ( 2.415 0.298 4.131) 4.794 19.482 ( -5.118 7.565 -0.209) 9.136 19.643 ( 1.582 2.146 -9.312) 9.686 19.825 ( -2.517 2.920 2.519) 4.605 19.990 ( -3.528 7.114 -4.219) 8.992 20.467 ( 5.209 -5.041 17.324) 18.779 20.591 ( 4.712 -3.204 14.830) 15.887 20.765 ( 1.068 3.718 -2.571) 4.645 20.940 ( -3.048 -7.132 -11.692) 14.030 21.069 ( -0.693 -11.068 3.848) 11.739 21.173 ( -6.521 -8.989 -2.196) 11.320 21.424 ( 2.596 -2.331 0.113) 3.491 21.804 ( -10.126 -3.213 1.467) 10.725 21.945 ( 2.287 3.439 -0.967) 4.241 22.088 ( -1.676 -0.471 1.059) 2.038 22.209 ( -0.262 2.976 2.086) 3.643 22.278 ( -1.241 3.149 -4.699) 5.791 22.628 ( 0.737 1.288 -1.837) 2.362 22.647 ( 0.700 1.475 0.778) 1.809 22.691 ( -2.142 3.563 0.686) 4.213 22.711 ( -0.772 1.324 -0.326) 1.567 23.068 ( 2.987 -3.710 -1.760) 5.078 23.201 ( 2.873 -0.802 -1.498) 3.337 23.297 ( 0.765 -0.184 4.532) 4.600 23.444 ( -1.934 3.079 3.042) 4.740 23.555 ( -2.911 1.487 0.633) 3.329 23.879 ( 1.190 -1.866 -2.492) 3.333 24.153 ( -5.467 2.042 -0.886) 5.903 24.196 ( 3.068 -0.068 1.883) 3.600 24.210 ( 2.426 0.961 -1.288) 2.910 24.325 ( -1.513 4.121 -7.729) 8.888 24.516 ( -4.789 -3.228 1.752) 6.035 24.610 ( -7.417 2.777 2.442) 8.288 24.889 ( -0.799 -5.390 2.605) 6.040 24.944 ( -1.912 -4.596 -4.846) 6.947 25.157 ( 1.778 1.419 0.569) 2.345 25.250 ( -0.230 4.940 1.955) 5.318 25.323 ( 0.755 -3.034 -1.127) 3.324 25.482 ( -1.302 -1.411 -0.467) 1.976 25.563 ( 1.001 1.726 0.747) 2.131 25.651 ( 1.436 -2.890 0.010) 3.227 26.027 ( 4.783 2.157 -1.742) 5.528 26.207 ( 7.082 1.311 0.993) 7.270 26.452 ( 11.516 -2.785 1.833) 11.989 26.987 ( -5.822 -9.077 -2.669) 11.109 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 16.787 0.000) 16.787 2.212 ( 0.000 -10.140 -0.000) 10.140 2.361 ( -0.000 3.911 -0.000) 3.911 2.362 ( 0.000 -15.948 0.000) 15.948 2.443 ( 0.000 3.003 0.000) 3.003 2.641 ( 0.000 9.232 -0.000) 9.232 2.705 ( -0.000 7.263 -0.000) 7.263 2.922 ( 0.000 -12.209 -0.000) 12.209 3.038 ( 0.000 -10.302 -0.000) 10.302 3.076 ( 0.000 -19.582 0.000) 19.582 3.225 ( 0.000 6.416 0.000) 6.416 3.403 ( 0.000 1.199 -0.000) 1.199 3.519 ( 0.000 10.833 0.000) 10.833 3.708 ( 0.000 -10.275 -0.000) 10.275 3.791 ( 0.000 -5.989 -0.000) 5.989 3.804 ( -0.000 12.344 0.000) 12.344 3.896 ( 0.000 -3.456 0.000) 3.456 3.956 ( 0.000 0.435 -0.000) 0.435 4.121 ( 0.000 -1.559 -0.000) 1.559 4.295 ( 0.000 2.867 -0.000) 2.867 4.396 ( -0.000 7.345 -0.000) 7.345 4.407 ( 0.000 -8.557 -0.000) 8.557 4.441 ( 0.000 -0.010 0.000) 0.010 4.684 ( 0.000 -1.309 -0.000) 1.309 4.720 ( 0.000 -6.712 -0.000) 6.712 4.997 ( -0.000 8.243 0.000) 8.243 5.021 ( 0.000 -3.426 0.000) 3.426 5.030 ( -0.000 2.249 -0.000) 2.249 5.058 ( -0.000 -9.302 0.000) 9.302 5.088 ( -0.000 -0.661 0.000) 0.661 5.307 ( 0.000 9.066 0.000) 9.066 5.350 ( 0.000 -5.331 -0.000) 5.331 5.491 ( 0.000 4.167 -0.000) 4.167 5.606 ( -0.000 13.639 -0.000) 13.639 5.627 ( 0.000 7.180 0.000) 7.180 5.672 ( 0.000 1.199 0.000) 1.199 5.713 ( 0.000 6.744 -0.000) 6.744 5.784 ( 0.000 0.049 -0.000) 0.049 5.923 ( 0.000 -1.689 0.000) 1.689 6.044 ( 0.000 -4.852 -0.000) 4.852 6.063 ( 0.000 -11.638 0.000) 11.638 6.106 ( 0.000 0.595 0.000) 0.595 6.185 ( -0.000 -1.939 -0.000) 1.939 6.185 ( 0.000 4.871 0.000) 4.871 6.260 ( 0.000 6.077 0.000) 6.077 6.383 ( 0.000 4.448 -0.000) 4.448 6.411 ( 0.000 4.387 0.000) 4.387 6.454 ( -0.000 6.563 -0.000) 6.563 7.035 ( 0.000 -10.292 -0.000) 10.292 7.096 ( 0.000 -5.099 0.000) 5.099 7.161 ( 0.000 -7.197 0.000) 7.197 7.234 ( 0.000 -11.168 -0.000) 11.168 7.371 ( 0.000 -6.708 -0.000) 6.708 7.517 ( 0.000 5.045 0.000) 5.045 7.544 ( 0.000 -5.072 -0.000) 5.072 7.580 ( -0.000 2.794 0.000) 2.794 7.765 ( 0.000 0.335 -0.000) 0.335 7.827 ( 0.000 1.304 -0.000) 1.304 7.868 ( 0.000 -15.546 0.000) 15.546 7.900 ( 0.000 1.783 -0.000) 1.783 8.100 ( 0.000 -3.510 -0.000) 3.510 8.130 ( -0.000 -0.984 0.000) 0.984 8.374 ( -0.000 1.084 0.000) 1.084 8.399 ( 0.000 -5.187 -0.000) 5.187 8.509 ( 0.000 6.700 0.000) 6.700 8.741 ( 0.000 0.967 -0.000) 0.967 8.828 ( 0.000 0.086 0.000) 0.086 8.951 ( 0.000 -5.365 -0.000) 5.365 9.070 ( 0.000 -2.506 -0.000) 2.506 9.084 ( -0.000 -4.753 0.000) 4.753 9.327 ( 0.000 -1.344 0.000) 1.344 9.360 ( -0.000 8.475 -0.000) 8.475 9.446 ( 0.000 -16.646 0.000) 16.646 9.753 ( -0.000 -7.812 0.000) 7.812 9.799 ( 0.000 0.398 -0.000) 0.398 9.946 ( 0.000 0.689 -0.000) 0.689 10.118 ( 0.000 -3.532 -0.000) 3.532 10.149 ( 0.000 5.186 -0.000) 5.186 10.322 ( 0.000 6.000 -0.000) 6.000 10.445 ( 0.000 -10.858 -0.000) 10.858 10.749 ( 0.000 3.506 -0.000) 3.506 10.829 ( 0.000 -3.487 -0.000) 3.487 10.993 ( 0.000 13.478 0.000) 13.478 11.081 ( 0.000 2.056 -0.000) 2.056 11.332 ( -0.000 -3.178 -0.000) 3.178 11.333 ( 0.000 -3.156 0.000) 3.156 11.535 ( 0.000 10.486 -0.000) 10.486 11.719 ( 0.000 -3.550 0.000) 3.550 11.755 ( 0.000 -3.682 -0.000) 3.682 11.957 ( 0.000 2.982 -0.000) 2.982 12.195 ( 0.000 -1.374 -0.000) 1.374 12.343 ( 0.000 -3.336 0.000) 3.336 12.510 ( 0.000 -5.729 0.000) 5.729 12.524 ( -0.000 -12.422 -0.000) 12.422 12.903 ( -0.000 6.023 -0.000) 6.023 12.924 ( 0.000 5.900 0.000) 5.900 12.946 ( 0.000 -4.115 -0.000) 4.115 13.114 ( 0.000 -6.114 -0.000) 6.114 13.175 ( 0.000 9.938 -0.000) 9.938 13.388 ( 0.000 6.862 -0.000) 6.862 13.513 ( 0.000 -5.553 -0.000) 5.553 13.615 ( 0.000 11.955 -0.000) 11.955 13.875 ( 0.000 4.174 0.000) 4.174 13.890 ( 0.000 0.024 -0.000) 0.024 15.489 ( 0.000 -0.423 -0.000) 0.423 15.567 ( 0.000 -1.982 -0.000) 1.982 15.791 ( 0.000 8.283 -0.000) 8.283 15.826 ( 0.000 -1.373 0.000) 1.373 15.967 ( 0.000 0.027 -0.000) 0.027 16.143 ( 0.000 4.250 -0.000) 4.250 16.327 ( 0.000 1.245 -0.000) 1.245 16.576 ( 0.000 0.280 0.000) 0.280 17.178 ( 0.000 -2.610 0.000) 2.610 17.272 ( 0.000 -1.490 -0.000) 1.490 17.382 ( 0.000 4.329 0.000) 4.329 17.563 ( 0.000 12.987 -0.000) 12.987 17.951 ( 0.000 -1.735 -0.000) 1.735 18.050 ( 0.000 1.297 0.000) 1.297 18.348 ( 0.000 12.978 0.000) 12.978 18.735 ( 0.000 3.729 -0.000) 3.729 19.096 ( 0.000 6.715 -0.000) 6.715 19.161 ( 0.000 -6.158 -0.000) 6.158 19.185 ( 0.000 -0.119 0.000) 0.119 19.407 ( 0.000 4.718 -0.000) 4.718 19.416 ( 0.000 6.577 0.000) 6.577 19.656 ( 0.000 -0.886 0.000) 0.886 19.789 ( 0.000 6.773 0.000) 6.773 19.954 ( 0.000 2.039 0.000) 2.039 20.578 ( 0.000 -1.388 0.000) 1.388 20.694 ( 0.000 -11.563 -0.000) 11.563 20.791 ( 0.000 -1.965 0.000) 1.965 20.810 ( -0.000 3.571 -0.000) 3.571 21.050 ( 0.000 -4.055 -0.000) 4.055 21.095 ( 0.000 -16.104 0.000) 16.104 21.562 ( 0.000 -8.203 -0.000) 8.203 21.596 ( -0.000 1.154 -0.000) 1.154 21.981 ( 0.000 2.252 -0.000) 2.252 22.057 ( 0.000 0.746 0.000) 0.746 22.224 ( 0.000 0.052 0.000) 0.052 22.247 ( -0.000 5.517 -0.000) 5.517 22.641 ( 0.000 2.135 0.000) 2.135 22.654 ( 0.000 3.106 -0.000) 3.106 22.666 ( 0.000 0.867 0.000) 0.867 22.701 ( 0.000 1.728 -0.000) 1.728 23.101 ( 0.000 -3.924 -0.000) 3.924 23.227 ( 0.000 3.283 -0.000) 3.283 23.317 ( 0.000 -4.933 0.000) 4.933 23.447 ( 0.000 0.775 0.000) 0.775 23.515 ( 0.000 2.769 -0.000) 2.769 23.885 ( 0.000 -3.431 -0.000) 3.431 24.065 ( 0.000 5.224 -0.000) 5.224 24.204 ( 0.000 1.010 -0.000) 1.010 24.261 ( 0.000 -0.041 0.000) 0.041 24.371 ( 0.000 -1.508 -0.000) 1.508 24.434 ( -0.000 1.718 0.000) 1.718 24.513 ( 0.000 2.422 -0.000) 2.422 24.899 ( 0.000 -4.399 0.000) 4.399 24.903 ( -0.000 -5.987 -0.000) 5.987 25.177 ( 0.000 1.587 -0.000) 1.587 25.252 ( 0.000 5.127 0.000) 5.127 25.326 ( 0.000 -3.213 -0.000) 3.213 25.468 ( 0.000 -0.818 -0.000) 0.818 25.580 ( 0.000 0.979 0.000) 0.979 25.669 ( 0.000 -3.675 -0.000) 3.675 26.078 ( 0.000 2.294 -0.000) 2.294 26.286 ( 0.000 1.196 -0.000) 1.196 26.627 ( 0.000 -5.303 -0.000) 5.303 26.872 ( 0.000 -5.376 -0.000) 5.376 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 18.915 0.000) 18.915 1.412 ( 0.000 36.090 0.000) 36.090 1.649 ( 0.000 -15.743 0.000) 15.743 2.317 ( 0.000 28.605 0.000) 28.605 2.331 ( 0.000 -3.972 0.000) 3.972 2.429 ( 0.000 -2.708 0.000) 2.708 2.483 ( 0.000 5.198 0.000) 5.198 2.793 ( 0.000 1.558 0.000) 1.558 3.076 ( 0.000 -2.126 0.000) 2.126 3.212 ( 0.000 -15.837 0.000) 15.837 3.346 ( 0.000 14.752 0.000) 14.752 3.448 ( 0.000 -17.194 0.000) 17.194 3.457 ( 0.000 16.815 0.000) 16.815 3.531 ( 0.000 -2.775 0.000) 2.775 3.593 ( 0.000 4.738 0.000) 4.738 3.820 ( 0.000 7.291 0.000) 7.291 3.971 ( 0.000 -0.476 0.000) 0.476 4.047 ( 0.000 12.114 0.000) 12.114 4.180 ( 0.000 -12.637 0.000) 12.637 4.252 ( 0.000 0.337 0.000) 0.337 4.357 ( 0.000 2.647 0.000) 2.647 4.372 ( 0.000 -0.844 0.000) 0.844 4.705 ( 0.000 -6.422 0.000) 6.422 4.743 ( 0.000 -4.364 0.000) 4.364 4.898 ( 0.000 6.283 0.000) 6.283 4.978 ( 0.000 4.102 0.000) 4.102 5.070 ( 0.000 8.897 0.000) 8.897 5.103 ( 0.000 3.149 0.000) 3.149 5.148 ( 0.000 -3.752 0.000) 3.752 5.179 ( 0.000 -9.355 0.000) 9.355 5.411 ( 0.000 -2.367 0.000) 2.367 5.463 ( 0.000 0.091 0.000) 0.091 5.530 ( 0.000 3.354 0.000) 3.354 5.557 ( 0.000 -3.514 0.000) 3.514 5.685 ( 0.000 9.167 0.000) 9.167 5.689 ( 0.000 -2.829 0.000) 2.829 5.762 ( 0.000 -0.294 0.000) 0.294 5.779 ( 0.000 2.000 0.000) 2.000 5.882 ( 0.000 3.885 0.000) 3.885 6.080 ( 0.000 0.899 0.000) 0.899 6.141 ( 0.000 -3.454 0.000) 3.454 6.247 ( 0.000 -3.626 0.000) 3.626 6.315 ( 0.000 6.115 0.000) 6.115 6.404 ( 0.000 0.880 0.000) 0.880 6.469 ( 0.000 -1.960 0.000) 1.960 6.572 ( 0.000 -5.998 0.000) 5.998 6.717 ( 0.000 -22.542 0.000) 22.542 6.849 ( 0.000 -19.007 0.000) 19.007 6.869 ( 0.000 -1.596 0.000) 1.596 7.145 ( 0.000 -7.931 0.000) 7.931 7.148 ( 0.000 -7.839 0.000) 7.839 7.223 ( 0.000 -2.634 0.000) 2.634 7.296 ( 0.000 5.633 0.000) 5.633 7.487 ( 0.000 -12.399 0.000) 12.399 7.608 ( 0.000 5.863 0.000) 5.863 7.648 ( 0.000 -0.324 0.000) 0.324 7.777 ( 0.000 -4.144 0.000) 4.144 7.780 ( 0.000 -8.548 0.000) 8.548 7.988 ( 0.000 0.249 0.000) 0.249 8.042 ( 0.000 -0.171 0.000) 0.171 8.150 ( 0.000 -3.531 0.000) 3.531 8.173 ( 0.000 -8.171 0.000) 8.171 8.305 ( 0.000 -1.534 0.000) 1.534 8.435 ( 0.000 -3.343 0.000) 3.343 8.467 ( 0.000 0.111 0.000) 0.111 8.507 ( 0.000 -1.326 0.000) 1.326 8.621 ( 0.000 -2.791 0.000) 2.791 8.743 ( 0.000 2.423 0.000) 2.423 8.801 ( 0.000 -3.751 0.000) 3.751 8.972 ( 0.000 -5.435 0.000) 5.435 9.009 ( 0.000 7.305 0.000) 7.305 9.258 ( 0.000 -4.372 0.000) 4.372 9.441 ( 0.000 10.781 0.000) 10.781 9.497 ( 0.000 8.316 0.000) 8.316 9.844 ( 0.000 -2.934 0.000) 2.934 9.896 ( 0.000 -1.221 0.000) 1.221 10.037 ( 0.000 4.658 0.000) 4.658 10.146 ( 0.000 5.557 0.000) 5.557 10.567 ( 0.000 7.552 0.000) 7.552 10.577 ( 0.000 0.357 0.000) 0.357 10.729 ( 0.000 2.892 0.000) 2.892 10.753 ( 0.000 11.827 0.000) 11.827 10.874 ( 0.000 5.011 0.000) 5.011 10.876 ( 0.000 -1.565 0.000) 1.565 11.273 ( 0.000 6.496 0.000) 6.496 11.355 ( 0.000 9.477 0.000) 9.477 11.446 ( 0.000 -4.653 0.000) 4.653 11.565 ( 0.000 -5.607 0.000) 5.607 11.672 ( 0.000 -2.871 0.000) 2.871 11.756 ( 0.000 -13.086 0.000) 13.086 11.891 ( 0.000 -10.895 0.000) 10.895 12.133 ( 0.000 -9.764 0.000) 9.764 12.516 ( 0.000 -1.787 0.000) 1.787 12.669 ( 0.000 -3.903 0.000) 3.903 12.727 ( 0.000 11.163 0.000) 11.163 12.949 ( 0.000 1.850 0.000) 1.850 13.116 ( 0.000 2.791 0.000) 2.791 13.235 ( 0.000 5.749 0.000) 5.749 13.268 ( 0.000 4.695 0.000) 4.695 13.422 ( 0.000 -2.851 0.000) 2.851 13.458 ( 0.000 -3.445 0.000) 3.445 13.497 ( 0.000 -1.315 0.000) 1.315 13.788 ( 0.000 3.000 0.000) 3.000 13.858 ( 0.000 0.958 0.000) 0.958 15.511 ( 0.000 3.750 0.000) 3.750 15.539 ( 0.000 1.809 0.000) 1.809 15.613 ( 0.000 -1.742 0.000) 1.742 15.626 ( 0.000 -2.770 0.000) 2.770 16.131 ( 0.000 8.962 0.000) 8.962 16.489 ( 0.000 -8.364 0.000) 8.364 16.657 ( 0.000 7.754 0.000) 7.754 16.854 ( 0.000 5.491 0.000) 5.491 16.857 ( 0.000 -6.094 0.000) 6.094 17.021 ( 0.000 10.721 0.000) 10.721 17.046 ( 0.000 2.856 0.000) 2.856 17.539 ( 0.000 -12.218 0.000) 12.218 18.241 ( 0.000 4.672 0.000) 4.672 18.473 ( 0.000 13.058 0.000) 13.058 18.652 ( 0.000 -11.383 0.000) 11.383 18.847 ( 0.000 14.586 0.000) 14.586 18.932 ( 0.000 -7.854 0.000) 7.854 19.094 ( 0.000 3.226 0.000) 3.226 19.272 ( 0.000 11.276 0.000) 11.276 19.460 ( 0.000 0.047 0.000) 0.047 19.722 ( 0.000 7.634 0.000) 7.634 19.829 ( 0.000 6.097 0.000) 6.097 19.957 ( 0.000 11.784 0.000) 11.784 20.183 ( 0.000 -7.210 0.000) 7.210 20.277 ( 0.000 -11.398 0.000) 11.398 20.389 ( 0.000 -7.307 0.000) 7.307 20.684 ( 0.000 -7.088 0.000) 7.088 20.779 ( 0.000 -4.211 0.000) 4.211 21.077 ( 0.000 -7.084 0.000) 7.084 21.135 ( 0.000 2.058 0.000) 2.058 21.464 ( 0.000 3.376 0.000) 3.376 21.908 ( 0.000 -10.103 0.000) 10.103 22.029 ( 0.000 6.164 0.000) 6.164 22.143 ( 0.000 -0.213 0.000) 0.213 22.349 ( 0.000 5.403 0.000) 5.403 22.360 ( 0.000 3.458 0.000) 3.458 22.633 ( 0.000 2.769 0.000) 2.769 22.659 ( 0.000 2.555 0.000) 2.555 22.751 ( 0.000 0.922 0.000) 0.922 22.874 ( 0.000 -5.201 0.000) 5.201 22.891 ( 0.000 -4.233 0.000) 4.233 22.898 ( 0.000 -3.543 0.000) 3.543 23.410 ( 0.000 5.819 0.000) 5.819 23.587 ( 0.000 -2.432 0.000) 2.432 23.883 ( 0.000 2.699 0.000) 2.699 23.944 ( 0.000 -0.612 0.000) 0.612 23.947 ( 0.000 6.309 0.000) 6.309 24.214 ( 0.000 2.162 0.000) 2.162 24.253 ( 0.000 0.451 0.000) 0.451 24.378 ( 0.000 -11.714 0.000) 11.714 24.603 ( 0.000 1.351 0.000) 1.351 24.859 ( 0.000 -8.611 0.000) 8.611 24.999 ( 0.000 -0.987 0.000) 0.987 25.008 ( 0.000 1.114 0.000) 1.114 25.090 ( 0.000 -4.425 0.000) 4.425 25.098 ( 0.000 -0.794 0.000) 0.794 25.456 ( 0.000 4.587 0.000) 4.587 25.497 ( 0.000 2.389 0.000) 2.389 25.639 ( 0.000 -3.222 0.000) 3.222 25.669 ( 0.000 -2.418 0.000) 2.418 25.836 ( 0.000 3.519 0.000) 3.519 25.947 ( 0.000 3.121 0.000) 3.121 26.171 ( 0.000 7.004 0.000) 7.004 26.630 ( 0.000 -11.285 0.000) 11.285 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 20.852 13.095 -9.983) 26.570 1.611 ( 17.481 27.016 14.563) 35.320 1.830 ( 15.877 -16.109 -11.574) 25.408 2.250 ( -2.605 -5.469 1.422) 6.223 2.379 ( 4.009 24.078 -0.797) 24.422 2.466 ( -0.886 1.863 0.631) 2.157 2.559 ( 7.717 -1.560 4.852) 9.248 2.791 ( 1.437 1.887 2.885) 3.735 3.068 ( -2.661 -2.458 0.058) 3.623 3.175 ( -0.901 -10.741 -0.724) 10.803 3.347 ( -0.494 -8.230 -5.474) 9.896 3.447 ( 2.105 9.975 5.071) 11.386 3.514 ( 0.515 3.253 3.776) 5.011 3.595 ( 5.579 4.744 -6.150) 9.563 3.645 ( 3.624 -2.586 -0.365) 4.467 3.820 ( -3.163 6.550 -3.816) 8.214 3.982 ( -7.264 -9.259 -1.936) 11.926 4.041 ( 2.004 4.721 3.415) 6.161 4.094 ( 6.741 9.006 4.983) 12.304 4.248 ( -7.826 3.946 -0.393) 8.773 4.309 ( 2.145 2.324 -3.382) 4.630 4.435 ( 1.525 -4.255 6.525) 7.937 4.690 ( -4.392 -6.231 -1.894) 7.855 4.712 ( -0.178 -2.434 -2.562) 3.539 4.798 ( -10.448 0.319 9.122) 13.873 4.949 ( -2.835 7.146 -5.044) 9.195 5.028 ( 2.227 -0.042 4.938) 5.417 5.090 ( -3.363 1.766 -0.559) 3.839 5.100 ( 2.539 1.325 4.413) 5.261 5.254 ( -8.906 2.489 3.710) 9.964 5.364 ( 5.022 0.576 0.455) 5.075 5.442 ( 0.858 -0.910 -5.901) 6.032 5.522 ( -1.237 -1.434 -13.516) 13.648 5.579 ( 3.757 -2.611 -0.759) 4.637 5.604 ( -1.575 2.693 2.992) 4.323 5.732 ( -2.548 -3.802 -7.888) 9.119 5.812 ( 0.033 -2.895 -0.262) 2.907 5.827 ( 2.129 0.066 1.173) 2.432 5.952 ( 0.777 14.370 0.229) 14.393 5.966 ( -2.849 4.438 -2.491) 5.832 6.075 ( 1.734 -4.654 7.043) 8.619 6.267 ( -5.144 0.899 -1.323) 5.387 6.279 ( -3.641 -1.635 -9.411) 10.223 6.357 ( -2.084 -4.807 -0.157) 5.241 6.478 ( -1.563 -6.648 -0.820) 6.879 6.571 ( 4.227 -1.528 7.995) 9.172 6.627 ( -6.629 -4.412 -6.191) 10.087 6.806 ( -1.177 -10.658 3.218) 11.195 6.868 ( -5.517 -10.091 7.861) 13.930 7.033 ( -7.363 -8.006 -4.651) 11.830 7.144 ( -5.642 -4.259 8.878) 11.349 7.189 ( -7.353 -7.812 3.047) 11.152 7.291 ( -1.212 0.117 -5.039) 5.184 7.500 ( -3.591 -11.771 -2.802) 12.621 7.534 ( 1.056 -1.012 -2.373) 2.787 7.563 ( -0.087 1.737 0.188) 1.749 7.728 ( -3.256 -2.663 2.379) 4.832 7.841 ( 5.091 1.520 -5.151) 7.400 7.938 ( -1.232 3.100 2.808) 4.361 8.064 ( -2.482 2.250 8.742) 9.362 8.173 ( -0.105 0.240 0.580) 0.636 8.260 ( 3.169 -5.085 -7.892) 9.909 8.264 ( -2.824 -2.004 4.782) 5.904 8.355 ( -8.719 -2.191 -2.298) 9.279 8.423 ( -5.122 -9.468 5.228) 11.967 8.537 ( 6.533 -7.243 1.076) 9.813 8.579 ( 3.510 0.252 -2.008) 4.052 8.748 ( -0.747 -2.804 -7.138) 7.705 8.842 ( 8.481 -0.254 6.170) 10.491 9.008 ( 3.054 3.925 -11.253) 12.303 9.077 ( 5.006 -6.045 -3.772) 8.709 9.257 ( 2.204 -5.253 -8.840) 10.516 9.504 ( 7.752 12.827 6.629) 16.388 9.691 ( 3.199 9.977 -3.574) 11.070 9.809 ( -12.537 1.291 1.952) 12.754 9.851 ( 2.273 1.008 5.183) 5.749 10.021 ( 1.791 -4.388 4.715) 6.685 10.159 ( 2.902 6.753 6.264) 9.657 10.414 ( -9.442 0.818 9.225) 13.226 10.482 ( -2.040 -10.738 4.542) 11.836 10.735 ( 0.905 13.914 -8.067) 16.109 10.931 ( 2.305 8.295 4.140) 9.553 10.968 ( 10.467 2.654 -1.102) 10.854 11.006 ( 4.035 -2.212 0.851) 4.680 11.197 ( 8.065 7.769 -4.366) 12.020 11.374 ( -6.707 -6.796 1.597) 9.681 11.457 ( -2.470 -2.564 -7.837) 8.608 11.527 ( 5.185 9.388 -4.752) 11.730 11.806 ( 2.587 -8.760 5.101) 10.462 11.854 ( 13.053 -3.526 -2.777) 13.803 11.977 ( 0.880 -7.019 2.341) 7.451 12.073 ( 3.663 -9.824 -4.484) 11.404 12.477 ( -5.443 -0.096 2.894) 6.165 12.587 ( -5.978 -1.817 -4.079) 7.462 12.751 ( 2.299 5.735 1.874) 6.457 12.972 ( 0.065 2.967 -0.476) 3.005 13.110 ( -2.325 -2.358 -5.999) 6.852 13.193 ( -0.394 5.489 -0.649) 5.541 13.296 ( 1.320 -1.689 2.807) 3.532 13.425 ( 2.549 4.558 5.088) 7.291 13.450 ( -1.119 -4.658 -6.017) 7.691 13.611 ( 6.976 -1.327 7.397) 10.254 13.787 ( 2.253 7.225 -3.369) 8.284 13.919 ( 2.617 0.257 -0.923) 2.787 15.515 ( -0.148 0.686 -1.309) 1.485 15.532 ( 0.590 4.446 -1.565) 4.750 15.616 ( 0.155 -0.874 0.246) 0.921 15.633 ( 2.137 -3.693 -0.080) 4.268 16.159 ( 1.206 10.052 3.398) 10.679 16.498 ( -0.262 -5.590 6.573) 8.633 16.605 ( -5.991 4.375 2.256) 7.754 16.682 ( -9.728 -1.866 -2.609) 10.244 16.888 ( 4.020 6.060 -2.429) 7.667 17.086 ( 3.881 0.971 0.592) 4.044 17.199 ( 10.540 5.980 -0.293) 12.122 17.617 ( 6.809 -10.989 -2.848) 13.237 18.173 ( -7.076 6.439 1.444) 9.676 18.367 ( -7.874 9.769 2.433) 12.781 18.651 ( -2.049 -4.714 4.637) 6.923 18.831 ( 2.777 -1.438 -4.596) 5.559 19.051 ( 5.801 1.829 5.386) 8.124 19.136 ( -1.139 6.514 -4.355) 7.918 19.213 ( 0.232 9.935 -1.941) 10.125 19.417 ( -2.614 0.001 -2.185) 3.407 19.684 ( -2.885 6.550 -1.665) 7.348 19.807 ( -1.671 7.826 -6.789) 10.494 19.949 ( -1.169 10.442 4.561) 11.455 20.160 ( -5.330 -9.299 -1.652) 10.845 20.234 ( 1.811 -6.848 1.345) 7.210 20.452 ( 4.021 -4.940 -0.223) 6.373 20.659 ( -1.677 -9.495 10.996) 14.624 20.823 ( 2.508 -3.282 3.604) 5.482 21.027 ( -4.003 -6.128 -4.334) 8.506 21.130 ( -1.144 2.092 4.248) 4.871 21.405 ( -4.815 0.908 -2.251) 5.392 21.841 ( -6.186 -10.808 -1.946) 12.604 22.027 ( -0.063 5.499 0.684) 5.542 22.120 ( -1.520 0.113 0.352) 1.564 22.311 ( -2.344 4.786 0.838) 5.395 22.371 ( -0.030 3.519 -1.439) 3.802 22.638 ( 0.453 2.010 1.158) 2.364 22.672 ( 1.079 3.027 -0.451) 3.245 22.746 ( -0.618 0.440 -0.431) 0.873 22.814 ( -2.090 1.933 -0.181) 2.853 22.907 ( 2.659 -6.270 -1.320) 6.937 23.007 ( 5.682 -5.693 -0.598) 8.065 23.392 ( -1.711 5.352 1.692) 5.868 23.541 ( -3.892 -1.563 2.139) 4.708 23.765 ( -9.762 5.692 2.626) 11.601 23.869 ( -1.291 0.681 -0.349) 1.500 24.058 ( 6.362 2.164 -2.992) 7.356 24.212 ( -0.206 1.768 0.368) 1.817 24.262 ( -0.162 0.203 -0.574) 0.631 24.371 ( -0.782 -11.430 -2.174) 11.661 24.555 ( -3.656 2.537 -1.449) 4.680 24.798 ( -4.069 -8.183 -0.868) 9.180 24.924 ( -9.457 5.313 1.051) 10.898 24.961 ( -4.879 1.026 0.214) 4.991 25.088 ( 4.811 -1.174 -0.039) 4.952 25.185 ( 5.475 -4.765 3.578) 8.092 25.403 ( -3.307 6.029 0.514) 6.895 25.480 ( -1.293 0.971 -1.415) 2.149 25.579 ( -3.068 -3.098 2.337) 4.947 25.614 ( -2.239 -1.978 -4.756) 5.616 25.944 ( 7.630 2.988 -1.811) 8.392 26.052 ( 7.869 0.029 1.187) 7.958 26.264 ( 7.369 6.851 0.682) 10.085 26.736 ( 5.771 -14.067 -1.037) 15.240 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 22.461 -0.182 -5.100) 23.034 2.056 ( 3.893 -16.023 -0.772) 16.507 2.132 ( 22.407 12.017 13.783) 28.922 2.346 ( 12.466 -5.612 -12.914) 18.806 2.443 ( 2.984 16.181 -1.163) 16.495 2.525 ( 8.054 0.075 -1.324) 8.163 2.607 ( -0.452 5.446 2.570) 6.038 2.835 ( -4.450 0.197 1.887) 4.837 3.070 ( -3.811 -5.610 9.214) 11.441 3.156 ( 7.282 -6.741 -3.665) 10.578 3.329 ( -10.764 -1.675 -4.281) 11.705 3.350 ( -1.564 -2.937 0.712) 3.403 3.494 ( -1.340 -2.492 3.378) 4.406 3.644 ( -5.871 2.717 2.027) 6.779 3.713 ( 2.500 -7.267 -2.892) 8.211 3.811 ( 3.007 6.303 2.714) 7.493 3.879 ( 2.132 -0.826 -2.742) 3.570 3.982 ( -6.759 6.091 2.079) 9.333 4.217 ( 2.664 0.478 -5.125) 5.796 4.262 ( 4.180 7.405 5.518) 10.137 4.359 ( 1.540 -1.869 1.771) 3.001 4.450 ( -0.155 -8.970 0.642) 8.994 4.495 ( -10.243 2.961 -2.002) 10.849 4.589 ( -2.312 1.533 -3.562) 4.514 4.725 ( -0.575 6.379 0.272) 6.411 4.973 ( 6.740 6.229 -3.790) 9.929 5.054 ( -1.134 2.528 4.953) 5.675 5.069 ( 0.089 2.427 3.229) 4.040 5.146 ( -2.354 -4.886 0.213) 5.428 5.194 ( 0.566 1.680 2.454) 3.027 5.366 ( -2.838 -2.813 -1.543) 4.283 5.416 ( 0.102 -2.213 8.040) 8.340 5.471 ( 0.146 4.584 -2.446) 5.198 5.553 ( -2.234 1.957 -3.877) 4.884 5.651 ( 2.226 2.521 -6.431) 7.257 5.711 ( -0.359 2.799 6.895) 7.450 5.778 ( -0.100 0.229 -6.873) 6.877 5.850 ( 0.759 -4.447 -2.853) 5.337 5.944 ( -0.798 -4.881 3.030) 5.800 6.006 ( -3.097 -4.444 1.411) 5.598 6.076 ( 1.474 10.798 -7.552) 13.259 6.133 ( -0.824 6.358 8.503) 10.649 6.200 ( -7.343 -0.830 -7.000) 10.178 6.285 ( -1.667 -4.820 7.901) 9.404 6.437 ( -11.718 -1.262 -7.196) 13.809 6.547 ( 3.639 -5.360 -5.222) 8.321 6.586 ( -3.906 3.927 -2.858) 6.233 6.640 ( -10.541 0.216 -9.636) 14.283 6.743 ( -3.935 -3.376 5.047) 7.236 6.891 ( -1.154 -12.945 3.476) 13.453 7.061 ( -5.749 -10.159 11.968) 16.718 7.107 ( -1.069 -13.776 1.830) 13.938 7.139 ( -6.217 -3.686 0.419) 7.240 7.495 ( 1.726 -9.172 -4.941) 10.560 7.513 ( 0.659 0.214 0.462) 0.833 7.607 ( -3.714 -3.732 7.063) 8.809 7.703 ( 1.870 5.830 -0.631) 6.155 7.908 ( -3.300 10.049 -1.820) 10.732 7.964 ( -0.385 2.156 -1.102) 2.452 8.009 ( 5.354 6.460 -2.043) 8.636 8.096 ( -6.494 4.216 3.456) 8.479 8.171 ( -2.657 -0.320 -2.348) 3.560 8.241 ( 0.797 -2.437 -9.622) 9.957 8.357 ( 3.801 -2.558 3.042) 5.500 8.442 ( 5.661 -14.218 6.672) 16.695 8.618 ( 2.334 -2.993 1.858) 4.226 8.700 ( 5.715 -5.625 3.622) 8.799 8.828 ( 7.364 -5.048 -1.045) 8.989 8.975 ( -0.262 -2.963 -2.160) 3.676 9.048 ( -0.725 2.756 -13.358) 13.658 9.233 ( 0.460 -9.194 -11.255) 14.541 9.259 ( 8.831 -4.472 -1.482) 10.009 9.525 ( -11.798 2.382 6.286) 13.579 9.592 ( -0.891 -0.579 2.076) 2.332 9.681 ( 5.163 7.318 4.696) 10.112 9.871 ( -6.144 -5.424 6.487) 10.452 10.085 ( 2.795 3.364 6.498) 7.832 10.270 ( 1.334 0.245 0.579) 1.475 10.342 ( 3.171 5.314 3.268) 6.998 10.427 ( -3.424 -8.254 -0.657) 8.961 10.764 ( 3.387 4.873 4.349) 7.358 10.901 ( -2.771 11.793 -0.172) 12.115 11.056 ( 0.951 -1.876 -3.308) 3.920 11.183 ( -1.390 -6.059 0.526) 6.238 11.278 ( 9.085 -1.721 0.315) 9.252 11.386 ( 6.363 2.015 -4.864) 8.259 11.451 ( -2.329 9.029 -4.770) 10.473 11.602 ( 7.368 3.273 -3.849) 8.934 11.790 ( -3.699 -2.402 1.019) 4.527 12.005 ( 8.877 -4.904 1.385) 10.236 12.152 ( 1.650 -0.686 -3.523) 3.950 12.191 ( 4.752 -7.346 8.303) 12.062 12.287 ( -6.059 0.850 0.153) 6.120 12.475 ( -4.488 -7.422 -4.195) 9.635 12.821 ( 3.603 0.699 0.355) 3.687 12.949 ( -2.521 -3.630 -2.418) 5.037 13.044 ( 0.596 5.914 -3.308) 6.802 13.183 ( -2.133 5.932 1.029) 6.387 13.332 ( 0.852 -1.880 0.821) 2.221 13.390 ( -2.374 -4.999 -2.304) 5.994 13.507 ( 3.405 9.158 4.059) 10.580 13.756 ( 3.079 0.333 4.615) 5.558 13.851 ( 4.602 4.633 -4.196) 7.762 13.935 ( -0.461 1.721 -0.386) 1.823 15.506 ( -0.455 0.572 -2.118) 2.241 15.531 ( -0.037 0.583 -1.619) 1.722 15.702 ( 7.334 -0.758 1.547) 7.534 15.718 ( 5.931 -1.737 -0.292) 6.187 16.157 ( -2.088 13.187 2.165) 13.525 16.405 ( -10.494 1.297 -1.286) 10.652 16.440 ( -8.029 2.190 3.567) 9.054 16.552 ( -1.457 -5.919 1.397) 6.253 17.020 ( 8.150 3.813 -0.220) 9.001 17.197 ( 5.059 -2.290 1.410) 5.730 17.400 ( 7.914 6.845 -0.956) 10.507 17.766 ( 6.708 -8.585 -3.475) 11.436 17.975 ( -9.949 11.175 2.057) 15.103 18.199 ( -7.688 4.679 -0.370) 9.007 18.624 ( -0.797 5.021 5.453) 7.455 18.892 ( -1.437 -1.991 1.073) 2.679 18.954 ( -3.873 1.263 -1.005) 4.196 19.182 ( -3.254 -3.497 -11.643) 12.585 19.242 ( 6.472 10.471 0.090) 12.310 19.467 ( 5.837 8.026 5.929) 11.560 19.610 ( -4.046 4.329 0.890) 5.992 19.751 ( -1.089 9.021 -10.232) 13.684 19.926 ( -1.578 7.145 6.418) 9.733 20.033 ( -5.107 -3.792 -4.308) 7.682 20.330 ( 5.490 -9.880 5.702) 12.659 20.529 ( 2.556 0.560 4.408) 5.126 20.679 ( 1.653 -16.972 7.814) 18.757 20.857 ( -0.786 0.856 1.891) 2.219 20.911 ( -4.846 -6.258 -6.932) 10.521 21.090 ( -3.610 5.364 2.320) 6.870 21.314 ( -1.275 -6.876 -2.408) 7.396 21.659 ( -9.592 -11.439 -1.230) 14.979 22.038 ( 1.007 4.677 -0.121) 4.786 22.097 ( -0.923 0.636 0.695) 1.318 22.266 ( -1.697 4.147 0.289) 4.490 22.356 ( -0.927 3.046 -0.813) 3.286 22.657 ( 0.986 1.152 1.353) 2.032 22.693 ( 0.583 2.382 0.731) 2.559 22.726 ( -0.621 1.987 -1.909) 2.825 22.795 ( -0.236 6.658 -0.561) 6.686 22.967 ( 2.756 -6.379 -1.496) 7.108 23.121 ( 5.009 -6.665 -0.737) 8.370 23.347 ( -3.034 3.957 3.476) 6.078 23.463 ( -2.997 -1.014 2.094) 3.795 23.622 ( -3.633 5.231 0.167) 6.371 23.830 ( -2.007 -3.524 -0.515) 4.088 24.186 ( 3.671 1.781 -3.863) 5.618 24.208 ( 0.759 1.426 2.101) 2.650 24.237 ( -1.228 0.989 2.054) 2.590 24.337 ( -0.928 -4.139 -6.406) 7.683 24.497 ( -1.090 2.924 -0.083) 3.121 24.660 ( -8.026 0.312 2.010) 8.280 24.796 ( -2.061 -2.589 1.010) 3.460 24.862 ( -4.548 -2.936 -1.319) 5.571 25.173 ( 2.731 0.599 0.549) 2.849 25.274 ( 1.900 -2.902 0.929) 3.591 25.365 ( -0.488 6.102 3.834) 7.223 25.447 ( -1.159 -0.076 -3.449) 3.639 25.552 ( 0.164 -3.704 3.793) 5.304 25.592 ( 0.076 -2.780 -4.667) 5.433 26.086 ( 5.373 3.734 -0.890) 6.603 26.228 ( 7.234 -0.752 0.724) 7.309 26.428 ( 7.308 2.468 0.674) 7.743 26.779 ( -1.306 -11.569 -1.484) 11.737 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.000 -12.963 -0.000) 12.963 2.007 ( -0.000 -16.460 0.000) 16.460 2.373 ( -0.000 -3.450 -0.000) 3.450 2.408 ( 0.000 19.000 0.000) 19.000 2.553 ( 0.000 6.690 0.000) 6.690 2.634 ( 0.000 -8.122 -0.000) 8.122 2.776 ( 0.000 -6.851 0.000) 6.851 2.896 ( -0.000 15.169 -0.000) 15.169 2.937 ( 0.000 8.717 0.000) 8.717 2.946 ( -0.000 3.432 -0.000) 3.432 3.309 ( -0.000 -2.160 0.000) 2.160 3.341 ( 0.000 -6.882 -0.000) 6.882 3.490 ( 0.000 -8.361 -0.000) 8.361 3.561 ( 0.000 -5.095 0.000) 5.095 3.703 ( 0.000 -13.753 -0.000) 13.753 3.880 ( 0.000 -6.421 -0.000) 6.421 3.912 ( -0.000 9.844 0.000) 9.844 3.928 ( 0.000 3.651 -0.000) 3.651 4.195 ( 0.000 2.953 0.000) 2.953 4.227 ( 0.000 -3.096 -0.000) 3.096 4.296 ( 0.000 3.728 -0.000) 3.728 4.463 ( 0.000 -4.931 -0.000) 4.931 4.548 ( 0.000 -0.782 0.000) 0.782 4.634 ( 0.000 4.346 -0.000) 4.346 4.690 ( 0.000 5.121 -0.000) 5.121 5.017 ( 0.000 9.180 -0.000) 9.180 5.040 ( 0.000 -1.770 -0.000) 1.770 5.058 ( 0.000 -2.604 0.000) 2.604 5.153 ( -0.000 12.392 -0.000) 12.392 5.188 ( 0.000 4.990 -0.000) 4.990 5.315 ( -0.000 0.927 -0.000) 0.927 5.429 ( 0.000 7.516 0.000) 7.516 5.542 ( 0.000 -2.883 0.000) 2.883 5.593 ( 0.000 -5.214 -0.000) 5.214 5.598 ( -0.000 -13.333 0.000) 13.333 5.732 ( 0.000 -2.350 -0.000) 2.350 5.762 ( 0.000 4.448 -0.000) 4.448 5.834 ( -0.000 -1.971 -0.000) 1.971 5.878 ( -0.000 2.048 0.000) 2.048 6.026 ( 0.000 10.246 -0.000) 10.246 6.048 ( 0.000 -3.777 -0.000) 3.777 6.095 ( 0.000 6.320 -0.000) 6.320 6.167 ( -0.000 -9.087 0.000) 9.087 6.240 ( -0.000 7.095 0.000) 7.095 6.274 ( 0.000 -1.047 -0.000) 1.047 6.470 ( 0.000 8.472 0.000) 8.472 6.553 ( 0.000 1.346 -0.000) 1.346 6.563 ( -0.000 3.191 0.000) 3.191 6.770 ( 0.000 -16.849 -0.000) 16.849 6.887 ( 0.000 -11.277 0.000) 11.277 6.981 ( 0.000 -10.979 -0.000) 10.979 7.071 ( 0.000 1.229 -0.000) 1.229 7.118 ( 0.000 -14.598 -0.000) 14.598 7.482 ( 0.000 -17.517 -0.000) 17.517 7.537 ( 0.000 1.752 0.000) 1.752 7.581 ( 0.000 -1.656 -0.000) 1.656 7.743 ( 0.000 13.068 -0.000) 13.068 7.854 ( 0.000 8.379 0.000) 8.379 7.907 ( 0.000 5.055 0.000) 5.055 7.995 ( 0.000 4.118 -0.000) 4.118 8.120 ( 0.000 3.508 -0.000) 3.508 8.134 ( -0.000 1.927 0.000) 1.927 8.320 ( -0.000 -2.039 -0.000) 2.039 8.379 ( 0.000 -1.012 -0.000) 1.012 8.524 ( 0.000 -6.671 0.000) 6.671 8.704 ( 0.000 -17.996 -0.000) 17.996 8.817 ( 0.000 0.743 0.000) 0.743 8.841 ( 0.000 -2.760 -0.000) 2.760 8.899 ( -0.000 3.828 0.000) 3.828 9.027 ( 0.000 -1.803 -0.000) 1.803 9.179 ( 0.000 -11.123 0.000) 11.123 9.390 ( 0.000 6.065 0.000) 6.065 9.417 ( 0.000 -8.486 -0.000) 8.486 9.621 ( 0.000 -3.214 -0.000) 3.214 9.744 ( 0.000 -4.963 0.000) 4.963 9.796 ( 0.000 -10.126 -0.000) 10.126 10.110 ( 0.000 -1.058 -0.000) 1.058 10.235 ( 0.000 5.230 0.000) 5.230 10.369 ( 0.000 7.053 -0.000) 7.053 10.451 ( 0.000 1.000 0.000) 1.000 10.799 ( -0.000 2.774 -0.000) 2.774 10.860 ( 0.000 8.087 0.000) 8.087 11.070 ( 0.000 -3.951 -0.000) 3.951 11.182 ( 0.000 -0.804 0.000) 0.804 11.292 ( 0.000 0.333 -0.000) 0.333 11.433 ( -0.000 11.065 0.000) 11.065 11.552 ( -0.000 -6.872 0.000) 6.872 11.685 ( 0.000 -3.166 -0.000) 3.166 11.755 ( 0.000 11.080 -0.000) 11.080 12.013 ( 0.000 0.706 -0.000) 0.706 12.161 ( 0.000 -4.511 0.000) 4.511 12.229 ( 0.000 -4.762 -0.000) 4.762 12.303 ( 0.000 -6.795 0.000) 6.795 12.406 ( 0.000 -7.831 -0.000) 7.831 12.859 ( 0.000 -1.562 -0.000) 1.562 12.923 ( 0.000 -2.630 0.000) 2.630 13.081 ( 0.000 7.675 -0.000) 7.675 13.137 ( 0.000 6.784 0.000) 6.784 13.311 ( 0.000 2.212 -0.000) 2.212 13.384 ( 0.000 -7.336 0.000) 7.336 13.551 ( 0.000 9.819 -0.000) 9.819 13.777 ( 0.000 2.855 -0.000) 2.855 13.906 ( 0.000 1.779 -0.000) 1.779 13.929 ( -0.000 1.667 0.000) 1.667 15.494 ( 0.000 0.826 -0.000) 0.826 15.535 ( 0.000 -1.310 -0.000) 1.310 15.802 ( 0.000 -0.807 -0.000) 0.807 15.840 ( 0.000 -1.960 -0.000) 1.960 16.116 ( 0.000 13.065 0.000) 13.065 16.233 ( 0.000 4.490 -0.000) 4.490 16.348 ( 0.000 0.686 0.000) 0.686 16.542 ( 0.000 -4.478 0.000) 4.478 17.152 ( 0.000 0.387 0.000) 0.387 17.240 ( 0.000 -2.167 -0.000) 2.167 17.491 ( 0.000 7.109 0.000) 7.109 17.838 ( 0.000 0.164 0.000) 0.164 17.860 ( 0.000 6.206 0.000) 6.206 18.099 ( 0.000 2.428 0.000) 2.428 18.629 ( 0.000 14.569 0.000) 14.569 18.798 ( 0.000 1.807 0.000) 1.807 19.002 ( 0.000 -8.953 0.000) 8.953 19.083 ( 0.000 -6.097 -0.000) 6.097 19.352 ( 0.000 14.840 0.000) 14.840 19.535 ( 0.000 4.581 0.000) 4.581 19.547 ( -0.000 8.238 -0.000) 8.238 19.743 ( 0.000 9.943 0.000) 9.943 19.928 ( -0.000 5.684 -0.000) 5.684 19.951 ( 0.000 -4.132 0.000) 4.132 20.419 ( 0.000 -11.460 -0.000) 11.460 20.563 ( 0.000 -0.423 0.000) 0.423 20.709 ( 0.000 -14.706 -0.000) 14.706 20.829 ( -0.000 1.141 0.000) 1.141 20.848 ( 0.000 -8.956 -0.000) 8.956 21.033 ( 0.000 9.672 -0.000) 9.672 21.335 ( 0.000 -14.131 0.000) 14.131 21.519 ( -0.000 -8.756 -0.000) 8.756 22.057 ( 0.000 4.012 -0.000) 4.012 22.081 ( 0.000 1.350 -0.000) 1.350 22.248 ( 0.000 3.399 -0.000) 3.399 22.343 ( 0.000 3.022 -0.000) 3.022 22.674 ( 0.000 0.282 0.000) 0.282 22.693 ( -0.000 0.402 -0.000) 0.402 22.721 ( 0.000 5.619 0.000) 5.619 22.792 ( 0.000 7.997 -0.000) 7.997 22.998 ( 0.000 -6.444 -0.000) 6.444 23.190 ( 0.000 -8.284 -0.000) 8.284 23.300 ( 0.000 4.122 0.000) 4.122 23.435 ( 0.000 -1.915 0.000) 1.915 23.591 ( 0.000 4.818 -0.000) 4.818 23.804 ( 0.000 -5.101 -0.000) 5.101 24.166 ( 0.000 4.653 -0.000) 4.653 24.226 ( -0.000 0.975 0.000) 0.975 24.267 ( 0.000 0.817 -0.000) 0.817 24.336 ( 0.000 -2.063 -0.000) 2.063 24.487 ( 0.000 3.638 -0.000) 3.638 24.561 ( 0.000 1.936 -0.000) 1.936 24.792 ( 0.000 -4.824 0.000) 4.824 24.792 ( -0.000 -5.492 -0.000) 5.492 25.201 ( 0.000 1.126 -0.000) 1.126 25.287 ( 0.000 -1.790 0.000) 1.790 25.372 ( 0.000 6.796 0.000) 6.796 25.428 ( 0.000 -1.114 -0.000) 1.114 25.575 ( 0.000 -5.535 -0.000) 5.535 25.579 ( 0.000 -1.885 0.000) 1.885 26.145 ( 0.000 4.561 -0.000) 4.561 26.311 ( 0.000 0.053 0.000) 0.053 26.530 ( 0.000 -2.522 -0.000) 2.522 26.736 ( 0.000 -8.092 -0.000) 8.092 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 -20.760 0.000) 20.760 1.259 ( 0.000 20.760 0.000) 20.760 2.016 ( 0.000 -23.477 0.000) 23.477 2.016 ( 0.000 23.477 0.000) 23.477 2.495 ( 0.000 -8.059 0.000) 8.059 2.495 ( 0.000 8.059 0.000) 8.059 2.671 ( 0.000 -11.957 0.000) 11.957 2.671 ( 0.000 11.957 0.000) 11.957 3.125 ( 0.000 -8.837 0.000) 8.837 3.125 ( 0.000 8.837 0.000) 8.837 3.410 ( 0.000 -16.447 0.000) 16.447 3.410 ( 0.000 16.447 0.000) 16.447 3.552 ( 0.000 -2.475 0.000) 2.475 3.552 ( 0.000 2.475 0.000) 2.475 3.806 ( 0.000 -17.281 0.000) 17.281 3.806 ( 0.000 17.281 0.000) 17.281 3.943 ( 0.000 -3.542 0.000) 3.542 3.943 ( 0.000 3.542 0.000) 3.542 4.188 ( 0.000 -0.610 0.000) 0.610 4.188 ( 0.000 0.610 0.000) 0.610 4.500 ( 0.000 -9.359 0.000) 9.359 4.500 ( 0.000 9.359 0.000) 9.359 4.576 ( 0.000 -10.624 0.000) 10.624 4.576 ( 0.000 10.624 0.000) 10.624 4.956 ( 0.000 -3.034 0.000) 3.034 4.956 ( 0.000 3.034 0.000) 3.034 5.085 ( 0.000 -1.784 0.000) 1.784 5.085 ( 0.000 1.784 0.000) 1.784 5.250 ( 0.000 -0.582 0.000) 0.582 5.250 ( 0.000 0.582 0.000) 0.582 5.335 ( 0.000 -0.885 0.000) 0.885 5.335 ( 0.000 0.885 0.000) 0.885 5.526 ( 0.000 -3.480 0.000) 3.480 5.526 ( 0.000 3.480 0.000) 3.480 5.715 ( 0.000 -2.678 0.000) 2.678 5.715 ( 0.000 2.678 0.000) 2.678 5.913 ( 0.000 -6.085 0.000) 6.085 5.913 ( 0.000 6.085 0.000) 6.085 5.974 ( 0.000 -3.165 0.000) 3.165 5.974 ( 0.000 3.165 0.000) 3.165 6.108 ( 0.000 -11.920 0.000) 11.920 6.108 ( 0.000 11.920 0.000) 11.920 6.363 ( 0.000 -0.884 0.000) 0.884 6.363 ( 0.000 0.884 0.000) 0.884 6.465 ( 0.000 -5.616 0.000) 5.616 6.465 ( 0.000 5.616 0.000) 5.616 6.594 ( 0.000 -9.532 0.000) 9.532 6.594 ( 0.000 9.532 0.000) 9.532 6.922 ( 0.000 -10.019 0.000) 10.019 6.922 ( 0.000 10.019 0.000) 10.019 7.150 ( 0.000 -5.029 0.000) 5.029 7.150 ( 0.000 5.029 0.000) 5.029 7.391 ( 0.000 -1.478 0.000) 1.478 7.391 ( 0.000 1.478 0.000) 1.478 7.630 ( 0.000 -0.988 0.000) 0.988 7.630 ( 0.000 0.988 0.000) 0.988 7.754 ( 0.000 -0.791 0.000) 0.791 7.754 ( 0.000 0.791 0.000) 0.791 8.022 ( 0.000 -2.664 0.000) 2.664 8.022 ( 0.000 2.664 0.000) 2.664 8.052 ( 0.000 -0.306 0.000) 0.306 8.052 ( 0.000 0.306 0.000) 0.306 8.341 ( 0.000 -4.393 0.000) 4.393 8.341 ( 0.000 4.393 0.000) 4.393 8.495 ( 0.000 -1.433 0.000) 1.433 8.495 ( 0.000 1.433 0.000) 1.433 8.655 ( 0.000 -5.326 0.000) 5.326 8.655 ( 0.000 5.326 0.000) 5.326 8.861 ( 0.000 -5.253 0.000) 5.253 8.861 ( 0.000 5.253 0.000) 5.253 9.149 ( 0.000 -6.571 0.000) 6.571 9.149 ( 0.000 6.571 0.000) 6.571 9.573 ( 0.000 -1.615 0.000) 1.615 9.573 ( 0.000 1.615 0.000) 1.615 9.849 ( 0.000 -2.567 0.000) 2.567 9.849 ( 0.000 2.567 0.000) 2.567 10.149 ( 0.000 -4.951 0.000) 4.951 10.149 ( 0.000 4.951 0.000) 4.951 10.594 ( 0.000 -2.088 0.000) 2.088 10.594 ( 0.000 2.088 0.000) 2.088 10.794 ( 0.000 -4.437 0.000) 4.437 10.794 ( 0.000 4.437 0.000) 4.437 10.948 ( 0.000 -2.673 0.000) 2.673 10.948 ( 0.000 2.673 0.000) 2.673 11.349 ( 0.000 -2.247 0.000) 2.247 11.349 ( 0.000 2.247 0.000) 2.247 11.517 ( 0.000 -12.022 0.000) 12.022 11.517 ( 0.000 12.022 0.000) 12.022 11.597 ( 0.000 -5.140 0.000) 5.140 11.597 ( 0.000 5.140 0.000) 5.140 11.900 ( 0.000 -11.089 0.000) 11.089 11.900 ( 0.000 11.089 0.000) 11.089 12.562 ( 0.000 -5.311 0.000) 5.311 12.562 ( 0.000 5.311 0.000) 5.311 12.911 ( 0.000 -6.293 0.000) 6.293 12.911 ( 0.000 6.293 0.000) 6.293 13.222 ( 0.000 -6.363 0.000) 6.363 13.222 ( 0.000 6.363 0.000) 6.363 13.345 ( 0.000 -6.076 0.000) 6.076 13.345 ( 0.000 6.076 0.000) 6.076 13.454 ( 0.000 -3.488 0.000) 3.488 13.454 ( 0.000 3.488 0.000) 3.488 13.849 ( 0.000 -2.088 0.000) 2.088 13.849 ( 0.000 2.088 0.000) 2.088 15.546 ( 0.000 -2.283 0.000) 2.283 15.546 ( 0.000 2.283 0.000) 2.283 15.608 ( 0.000 -2.522 0.000) 2.522 15.608 ( 0.000 2.522 0.000) 2.522 16.312 ( 0.000 -9.496 0.000) 9.496 16.312 ( 0.000 9.496 0.000) 9.496 16.752 ( 0.000 -4.455 0.000) 4.455 16.752 ( 0.000 4.455 0.000) 4.455 16.995 ( 0.000 -6.830 0.000) 6.830 16.995 ( 0.000 6.830 0.000) 6.830 17.278 ( 0.000 -14.209 0.000) 14.209 17.278 ( 0.000 14.209 0.000) 14.209 18.421 ( 0.000 -11.927 0.000) 11.927 18.421 ( 0.000 11.927 0.000) 11.927 18.719 ( 0.000 -12.199 0.000) 12.199 18.719 ( 0.000 12.199 0.000) 12.199 19.087 ( 0.000 -7.109 0.000) 7.109 19.087 ( 0.000 7.109 0.000) 7.109 19.404 ( 0.000 -4.247 0.000) 4.247 19.404 ( 0.000 4.247 0.000) 4.247 19.951 ( 0.000 -14.583 0.000) 14.583 19.951 ( 0.000 14.583 0.000) 14.583 20.007 ( 0.000 -10.886 0.000) 10.886 20.007 ( 0.000 10.886 0.000) 10.886 20.241 ( 0.000 -9.257 0.000) 9.257 20.241 ( 0.000 9.257 0.000) 9.257 20.625 ( 0.000 -3.988 0.000) 3.988 20.625 ( 0.000 3.988 0.000) 3.988 21.099 ( 0.000 -4.498 0.000) 4.498 21.099 ( 0.000 4.498 0.000) 4.498 21.660 ( 0.000 -14.064 0.000) 14.064 21.660 ( 0.000 14.064 0.000) 14.064 22.117 ( 0.000 -2.694 0.000) 2.694 22.117 ( 0.000 2.694 0.000) 2.694 22.405 ( 0.000 -0.279 0.000) 0.279 22.405 ( 0.000 0.279 0.000) 0.279 22.708 ( 0.000 -1.041 0.000) 1.041 22.708 ( 0.000 1.041 0.000) 1.041 22.759 ( 0.000 -2.579 0.000) 2.579 22.759 ( 0.000 2.579 0.000) 2.579 22.848 ( 0.000 -0.023 0.000) 0.023 22.848 ( 0.000 0.023 0.000) 0.023 23.516 ( 0.000 -4.773 0.000) 4.773 23.516 ( 0.000 4.773 0.000) 4.773 23.925 ( 0.000 -1.527 0.000) 1.527 23.925 ( 0.000 1.527 0.000) 1.527 24.114 ( 0.000 -10.614 0.000) 10.614 24.114 ( 0.000 10.614 0.000) 10.614 24.265 ( 0.000 -2.753 0.000) 2.753 24.265 ( 0.000 2.753 0.000) 2.753 24.695 ( 0.000 -7.465 0.000) 7.465 24.695 ( 0.000 7.465 0.000) 7.465 24.996 ( 0.000 -1.108 0.000) 1.108 24.996 ( 0.000 1.108 0.000) 1.108 25.075 ( 0.000 -1.419 0.000) 1.419 25.075 ( 0.000 1.419 0.000) 1.419 25.530 ( 0.000 -0.572 0.000) 0.572 25.530 ( 0.000 0.572 0.000) 0.572 25.605 ( 0.000 -1.797 0.000) 1.797 25.605 ( 0.000 1.797 0.000) 1.797 25.918 ( 0.000 -3.993 0.000) 3.993 25.918 ( 0.000 3.993 0.000) 3.993 26.388 ( 0.000 -13.043 0.000) 13.043 26.388 ( 0.000 13.043 0.000) 13.043 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 15.321 -18.631 -13.416) 27.601 1.443 ( 15.321 18.631 -13.416) 27.601 2.079 ( 6.050 -16.393 6.215) 18.546 2.079 ( 6.050 16.393 6.215) 18.546 2.498 ( 0.728 -5.397 3.844) 6.665 2.498 ( 0.728 5.397 3.844) 6.665 2.719 ( 5.051 -14.253 0.801) 15.142 2.719 ( 5.051 14.253 0.801) 15.142 3.073 ( -3.387 -6.156 -2.135) 7.343 3.073 ( -3.387 6.156 -2.135) 7.343 3.335 ( -7.199 -16.848 4.146) 18.785 3.335 ( -7.199 16.848 4.146) 18.785 3.587 ( 1.115 -3.372 4.331) 5.601 3.587 ( 1.115 3.372 4.331) 5.601 3.844 ( 2.336 -4.671 -5.175) 7.352 3.844 ( 2.336 4.671 -5.175) 7.352 3.974 ( 4.279 -10.896 -1.901) 11.859 3.974 ( 4.279 10.896 -1.901) 11.859 4.211 ( -1.260 -5.789 -1.539) 6.122 4.211 ( -1.260 5.789 -1.539) 6.122 4.474 ( -3.678 -10.873 -5.547) 12.748 4.474 ( -3.678 10.873 -5.547) 12.748 4.578 ( 2.378 -10.198 10.525) 14.847 4.578 ( 2.378 10.198 10.525) 14.847 4.884 ( -4.690 -11.300 0.172) 12.235 4.884 ( -4.690 11.300 0.172) 12.235 5.040 ( -0.443 -2.818 2.993) 4.135 5.040 ( -0.443 2.818 2.993) 4.135 5.249 ( -2.124 -4.727 -0.509) 5.208 5.249 ( -2.124 4.727 -0.509) 5.208 5.408 ( -5.336 -5.341 -0.548) 7.570 5.408 ( -5.336 5.341 -0.548) 7.570 5.512 ( 9.444 -1.744 -4.731) 10.706 5.512 ( 9.444 1.744 -4.731) 10.706 5.688 ( -1.690 -2.887 1.686) 3.746 5.688 ( -1.690 2.887 1.686) 3.746 5.824 ( -3.561 -4.191 -2.984) 6.257 5.824 ( -3.561 4.191 -2.984) 6.257 5.960 ( -0.360 -4.732 -2.882) 5.552 5.960 ( -0.360 4.732 -2.882) 5.552 6.223 ( -3.873 -2.233 0.372) 4.486 6.223 ( -3.873 2.233 0.372) 4.486 6.285 ( 0.615 -11.328 -1.635) 11.462 6.285 ( 0.615 11.328 -1.635) 11.462 6.434 ( -0.010 -5.055 1.991) 5.433 6.434 ( -0.010 5.055 1.991) 5.433 6.630 ( 1.959 -4.646 2.636) 5.690 6.630 ( 1.959 4.646 2.636) 5.690 6.866 ( -5.750 -5.985 -3.934) 9.185 6.866 ( -5.750 5.985 -3.934) 9.185 7.118 ( -6.400 -0.198 10.483) 12.284 7.118 ( -6.400 0.198 10.483) 12.284 7.326 ( -6.105 -5.148 -6.782) 10.477 7.326 ( -6.105 5.148 -6.782) 10.477 7.564 ( 0.471 -2.021 -0.759) 2.210 7.564 ( 0.471 2.021 -0.759) 2.210 7.778 ( 1.878 -6.506 -0.856) 6.825 7.778 ( 1.878 6.506 -0.856) 6.825 8.051 ( 4.067 -4.884 5.860) 8.645 8.051 ( 4.067 4.884 5.860) 8.645 8.164 ( 2.665 -3.646 3.574) 5.759 8.164 ( 2.665 3.646 3.574) 5.759 8.307 ( -5.459 -4.974 -3.650) 8.238 8.307 ( -5.459 4.974 -3.650) 8.238 8.361 ( -2.214 -4.324 -0.221) 4.863 8.361 ( -2.214 4.324 -0.221) 4.863 8.662 ( -0.794 -5.200 -0.244) 5.266 8.662 ( -0.794 5.200 -0.244) 5.266 8.918 ( 6.109 -7.161 -1.114) 9.478 8.918 ( 6.109 7.161 -1.114) 9.478 9.134 ( 1.030 -6.522 -12.756) 14.363 9.134 ( 1.030 6.522 -12.756) 14.363 9.744 ( 8.161 -8.762 6.680) 13.711 9.744 ( 8.161 8.762 6.680) 13.711 9.819 ( -3.587 -5.754 0.075) 6.781 9.819 ( -3.587 5.754 0.075) 6.781 10.143 ( -3.105 -15.386 -0.028) 15.696 10.143 ( -3.105 15.386 -0.028) 15.696 10.356 ( -7.114 -6.421 9.314) 13.364 10.356 ( -7.114 6.421 9.314) 13.364 10.946 ( 5.777 -2.851 -3.935) 7.549 10.946 ( 5.777 2.851 -3.935) 7.549 11.010 ( 2.336 -8.441 -0.716) 8.787 11.010 ( 2.336 8.441 -0.716) 8.787 11.272 ( -5.601 -7.341 0.056) 9.233 11.272 ( -5.601 7.341 0.056) 9.233 11.544 ( 11.766 -11.262 0.964) 16.316 11.544 ( 11.766 11.262 0.964) 16.316 11.773 ( -0.901 -10.599 -0.065) 10.637 11.773 ( -0.901 10.599 -0.065) 10.637 11.921 ( 9.755 -4.004 -4.546) 11.484 11.921 ( 9.755 4.004 -4.546) 11.484 12.512 ( -5.161 -4.006 1.621) 6.731 12.512 ( -5.161 4.006 1.621) 6.731 12.910 ( -2.095 -8.294 -1.038) 8.618 12.910 ( -2.095 8.294 -1.038) 8.618 13.166 ( -0.398 -6.004 -2.002) 6.341 13.166 ( -0.398 6.004 -2.002) 6.341 13.339 ( -1.029 -6.015 -1.755) 6.350 13.339 ( -1.029 6.015 -1.755) 6.350 13.545 ( 6.168 -5.392 5.895) 10.093 13.545 ( 6.168 5.392 5.895) 10.093 13.891 ( 2.968 -3.331 -1.807) 4.814 13.891 ( 2.968 3.331 -1.807) 4.814 15.542 ( -0.361 -2.363 -1.612) 2.884 15.542 ( -0.361 2.363 -1.612) 2.884 15.612 ( 1.366 -2.007 0.021) 2.428 15.612 ( 1.366 2.007 0.021) 2.428 16.347 ( 2.190 -9.078 5.118) 10.649 16.347 ( 2.190 9.078 5.118) 10.649 16.652 ( -8.392 -1.595 0.335) 8.549 16.652 ( -8.392 1.595 0.335) 8.549 17.023 ( 2.837 -6.403 -0.414) 7.016 17.023 ( 2.837 6.403 -0.414) 7.016 17.384 ( 8.711 -11.946 -2.082) 14.930 17.384 ( 8.711 11.946 -2.082) 14.930 18.359 ( -6.614 -9.887 2.939) 12.253 18.359 ( -6.614 9.887 2.939) 12.253 18.688 ( -0.602 -9.378 0.568) 9.414 18.688 ( -0.602 9.378 0.568) 9.414 19.177 ( 4.817 -3.400 -3.716) 6.969 19.177 ( 4.817 3.400 -3.716) 6.969 19.350 ( -2.300 -5.575 -1.828) 6.302 19.350 ( -2.300 5.575 -1.828) 6.302 19.884 ( -4.561 -13.083 -2.644) 14.105 19.884 ( -4.561 13.083 -2.644) 14.105 20.018 ( -0.275 -13.477 -2.309) 13.677 20.018 ( -0.275 13.477 -2.309) 13.677 20.250 ( 0.901 -14.680 8.356) 16.916 20.250 ( 0.901 14.680 8.356) 16.916 20.647 ( 1.631 -8.521 -1.094) 8.744 20.647 ( 1.631 8.521 -1.094) 8.744 21.083 ( -1.708 -6.084 3.294) 7.126 21.083 ( -1.708 6.084 3.294) 7.126 21.582 ( -6.913 -14.306 -2.728) 16.121 21.582 ( -6.913 14.306 -2.728) 16.121 22.103 ( -0.876 -2.157 0.285) 2.345 22.103 ( -0.876 2.157 0.285) 2.345 22.389 ( -1.406 -2.168 -0.062) 2.585 22.389 ( -1.406 2.168 -0.062) 2.585 22.691 ( -1.033 -2.532 2.345) 3.603 22.691 ( -1.033 2.532 2.345) 3.603 22.784 ( 2.046 -5.194 -1.932) 5.908 22.784 ( 2.046 5.194 -1.932) 5.908 22.891 ( 3.479 -5.610 -1.266) 6.722 22.891 ( 3.479 5.610 -1.266) 6.722 23.486 ( -2.788 -4.018 1.902) 5.247 23.486 ( -2.788 4.018 1.902) 5.247 23.853 ( -6.040 -2.794 1.691) 6.866 23.853 ( -6.040 2.794 1.691) 6.866 24.152 ( 3.762 -7.842 -3.806) 9.494 24.152 ( 3.762 7.842 -3.806) 9.494 24.257 ( -0.750 -2.246 0.731) 2.479 24.257 ( -0.750 2.246 0.731) 2.479 24.648 ( -3.154 -6.753 -0.868) 7.504 24.648 ( -3.154 6.753 -0.868) 7.504 24.977 ( -6.487 -0.705 0.811) 6.575 24.977 ( -6.487 0.705 0.811) 6.575 25.102 ( 5.453 -3.196 2.092) 6.657 25.102 ( 5.453 3.196 2.092) 6.657 25.499 ( -2.904 -2.467 2.916) 4.798 25.499 ( -2.904 2.467 2.916) 4.798 25.547 ( -2.298 -3.181 -4.684) 6.111 25.547 ( -2.298 3.181 -4.684) 6.111 26.008 ( 7.172 -3.410 -0.251) 7.945 26.008 ( 7.172 3.410 -0.251) 7.945 26.472 ( 5.775 -12.974 -0.184) 14.203 26.472 ( 5.775 12.974 -0.184) 14.203 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 10.212 -13.295 -6.114) 17.845 1.712 ( 10.212 13.295 -6.114) 17.845 2.275 ( 8.936 -3.430 -8.019) 12.487 2.275 ( 8.936 3.430 -8.019) 12.487 2.576 ( 7.190 -1.641 11.933) 14.028 2.576 ( 7.190 1.641 11.933) 14.028 2.843 ( 2.281 -8.735 -2.558) 9.384 2.843 ( 2.281 8.735 -2.558) 9.384 3.039 ( 3.976 -6.194 3.309) 8.070 3.039 ( 3.976 6.194 3.309) 8.070 3.213 ( -3.887 -13.428 3.126) 14.324 3.213 ( -3.887 13.428 3.126) 14.324 3.543 ( -5.003 -7.580 -0.468) 9.095 3.543 ( -5.003 7.580 -0.468) 9.095 3.801 ( -9.804 -8.799 0.748) 13.194 3.801 ( -9.804 8.799 0.748) 13.194 3.998 ( 0.177 -6.714 3.608) 7.624 3.998 ( 0.177 6.714 3.608) 7.624 4.218 ( 1.791 -4.426 -3.442) 5.886 4.218 ( 1.791 4.426 -3.442) 5.886 4.369 ( -1.058 -2.244 -6.145) 6.627 4.369 ( -1.058 2.244 -6.145) 6.627 4.654 ( 0.776 -2.341 -0.680) 2.558 4.654 ( 0.776 2.341 -0.680) 2.558 4.839 ( -1.813 -12.570 2.509) 12.946 4.839 ( -1.813 12.570 2.509) 12.946 5.073 ( 4.944 -3.148 -0.534) 5.886 5.073 ( 4.944 3.148 -0.534) 5.886 5.229 ( 1.339 -8.267 1.683) 8.542 5.229 ( 1.339 8.267 1.683) 8.542 5.300 ( -1.935 -4.626 4.498) 6.736 5.300 ( -1.935 4.626 4.498) 6.736 5.629 ( 0.409 -8.023 4.271) 9.098 5.629 ( 0.409 8.023 4.271) 9.098 5.668 ( -6.648 -8.073 -2.750) 10.813 5.668 ( -6.648 8.073 -2.750) 10.813 5.797 ( 2.555 -1.813 2.769) 4.181 5.797 ( 2.555 1.813 2.769) 4.181 5.918 ( -0.623 -3.789 -6.233) 7.321 5.918 ( -0.623 3.789 -6.233) 7.321 6.136 ( 0.780 -7.795 -3.971) 8.782 6.136 ( 0.780 7.795 -3.971) 8.782 6.292 ( -4.226 -4.214 -1.270) 6.101 6.292 ( -4.226 4.214 -1.270) 6.101 6.387 ( -1.957 -4.942 -3.171) 6.189 6.387 ( -1.957 4.942 -3.171) 6.189 6.672 ( -7.748 -3.754 -5.315) 10.118 6.672 ( -7.748 3.754 -5.315) 10.118 6.724 ( 1.645 -5.363 5.629) 7.947 6.724 ( 1.645 5.363 5.629) 7.947 6.927 ( -7.333 -1.827 4.737) 8.919 6.927 ( -7.333 1.827 4.737) 8.919 7.236 ( -2.629 -10.475 -0.332) 10.805 7.236 ( -2.629 10.475 -0.332) 10.805 7.576 ( -1.547 -0.768 2.100) 2.719 7.576 ( -1.547 0.768 2.100) 2.719 7.873 ( 7.543 -10.678 0.939) 13.107 7.873 ( 7.543 10.678 0.939) 13.107 8.075 ( -8.259 -3.173 3.011) 9.346 8.075 ( -8.259 3.173 3.011) 9.346 8.184 ( 5.395 -4.871 2.943) 7.842 8.184 ( 5.395 4.871 2.943) 7.842 8.242 ( 2.765 -1.948 -3.475) 4.849 8.242 ( 2.765 1.948 -3.475) 4.849 8.381 ( 0.087 -11.857 -6.226) 13.393 8.381 ( 0.087 11.857 -6.226) 13.393 8.728 ( 6.228 -5.057 11.113) 13.707 8.728 ( 6.228 5.057 11.113) 13.707 9.015 ( 2.660 -5.770 -15.491) 16.743 9.015 ( 2.660 5.770 -15.491) 16.743 9.176 ( 3.105 -5.382 -7.860) 10.020 9.176 ( 3.105 5.382 -7.860) 10.020 9.577 ( -9.904 -2.110 9.588) 13.945 9.577 ( -9.904 2.110 9.588) 13.945 9.822 ( -9.663 -2.025 -0.064) 9.873 9.822 ( -9.663 2.025 -0.064) 9.873 10.111 ( 6.891 -6.691 4.440) 10.582 10.111 ( 6.891 6.691 4.440) 10.582 10.428 ( 4.108 -2.061 4.183) 6.215 10.428 ( 4.108 2.061 4.183) 6.215 10.915 ( -2.063 -10.230 -0.855) 10.471 10.915 ( -2.063 10.230 -0.855) 10.471 11.090 ( 0.184 -5.963 -0.417) 5.981 11.090 ( 0.184 5.963 -0.417) 5.981 11.276 ( 6.606 -4.247 -2.952) 8.391 11.276 ( 6.606 4.247 -2.952) 8.391 11.654 ( -3.428 -5.799 -4.385) 8.037 11.654 ( -3.428 5.799 -4.385) 8.037 11.838 ( 9.894 -11.536 3.047) 15.500 11.838 ( 9.894 11.536 3.047) 15.500 12.134 ( 7.320 -1.191 -0.232) 7.420 12.134 ( 7.320 1.191 -0.232) 7.420 12.345 ( -9.799 -5.065 0.847) 11.063 12.345 ( -9.799 5.065 0.847) 11.063 12.863 ( -0.196 -3.921 -1.371) 4.159 12.863 ( -0.196 3.921 -1.371) 4.159 13.203 ( 2.219 -8.543 -0.888) 8.871 13.203 ( 2.219 8.543 -0.888) 8.871 13.302 ( -1.938 -5.526 -1.291) 5.996 13.302 ( -1.938 5.526 -1.291) 5.996 13.677 ( 4.369 -7.163 4.652) 9.594 13.677 ( 4.369 7.163 4.652) 9.594 13.930 ( 1.086 -2.416 -2.162) 3.419 13.930 ( 1.086 2.416 -2.162) 3.419 15.523 ( -0.736 -1.063 -2.103) 2.469 15.523 ( -0.736 1.063 -2.103) 2.469 15.699 ( 6.483 -0.653 0.693) 6.552 15.699 ( 6.483 0.653 0.693) 6.552 16.391 ( 0.597 -9.842 3.846) 10.584 16.391 ( 0.597 9.842 3.846) 10.584 16.441 ( -10.449 -0.936 0.071) 10.491 16.441 ( -10.449 0.936 0.071) 10.491 17.115 ( 5.312 -5.306 0.481) 7.523 17.115 ( 5.312 5.306 0.481) 7.523 17.570 ( 7.811 -10.252 -1.790) 13.012 17.570 ( 7.811 10.252 -1.790) 13.012 18.182 ( -8.709 -7.345 0.567) 11.407 18.182 ( -8.709 7.345 0.567) 11.407 18.731 ( 3.579 -7.775 6.327) 10.644 18.731 ( 3.579 7.775 6.327) 10.644 19.083 ( -8.287 -6.402 -11.439) 15.508 19.083 ( -8.287 6.402 -11.439) 15.508 19.461 ( 8.412 -8.802 2.270) 12.385 19.461 ( 8.412 8.802 2.270) 12.385 19.787 ( -3.710 -13.739 -0.617) 14.244 19.787 ( -3.710 13.739 -0.617) 14.244 19.977 ( -2.705 -11.639 -2.036) 12.121 19.977 ( -2.705 11.639 -2.036) 12.121 20.323 ( 4.267 -14.764 6.027) 16.507 20.323 ( 4.267 14.764 6.027) 16.507 20.665 ( -0.216 -10.820 1.317) 10.902 20.665 ( -0.216 10.820 1.317) 10.902 21.045 ( -2.044 -10.123 0.624) 10.347 21.045 ( -2.044 10.123 0.624) 10.347 21.399 ( -8.222 -13.723 -2.537) 16.198 21.399 ( -8.222 13.723 -2.537) 16.198 22.094 ( -0.044 -1.230 0.265) 1.259 22.094 ( -0.044 1.230 0.265) 1.259 22.354 ( -1.542 -3.299 -0.101) 3.643 22.354 ( -1.542 3.299 -0.101) 3.643 22.683 ( -0.133 -1.600 1.682) 2.325 22.683 ( -0.133 1.600 1.682) 2.325 22.825 ( 1.839 -6.304 -1.423) 6.719 22.825 ( 1.839 6.304 -1.423) 6.719 22.964 ( 3.227 -8.734 -1.471) 9.426 22.964 ( 3.227 8.734 -1.471) 9.426 23.420 ( -3.469 -3.222 2.819) 5.510 23.420 ( -3.469 3.222 2.819) 5.510 23.736 ( -4.079 -5.924 0.211) 7.196 23.736 ( -4.079 5.924 0.211) 7.196 24.234 ( 1.335 -0.554 1.080) 1.805 24.234 ( 1.335 0.554 1.080) 1.805 24.244 ( 2.259 -3.488 -3.938) 5.725 24.244 ( 2.259 3.488 -3.938) 5.725 24.586 ( -2.384 -5.489 0.151) 5.987 24.586 ( -2.384 5.489 0.151) 5.987 24.817 ( -7.028 -2.350 0.584) 7.433 24.817 ( -7.028 2.350 0.584) 7.433 25.206 ( 3.145 -3.133 1.064) 4.565 25.206 ( 3.145 3.133 1.064) 4.565 25.459 ( -0.966 -3.966 4.365) 5.976 25.459 ( -0.966 3.966 4.365) 5.976 25.517 ( -0.247 -4.515 -4.941) 6.697 25.517 ( -0.247 4.515 -4.941) 6.697 26.167 ( 6.755 -4.344 -0.057) 8.032 26.167 ( 6.755 4.344 -0.057) 8.032 26.563 ( 2.455 -10.076 -0.452) 10.380 26.563 ( 2.455 10.076 -0.452) 10.380 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.000 -1.145 0.000) 1.145 1.819 ( 0.000 1.145 -0.000) 1.145 2.358 ( -0.000 -4.427 0.000) 4.427 2.358 ( 0.000 4.427 -0.000) 4.427 2.664 ( 0.000 -4.969 -0.000) 4.969 2.664 ( 0.000 4.969 -0.000) 4.969 2.925 ( 0.000 -12.577 -0.000) 12.577 2.925 ( 0.000 12.577 0.000) 12.577 3.123 ( 0.000 -10.017 -0.000) 10.017 3.123 ( 0.000 10.017 0.000) 10.017 3.176 ( 0.000 -8.676 -0.000) 8.676 3.176 ( 0.000 8.676 -0.000) 8.676 3.466 ( 0.000 -6.560 0.000) 6.560 3.466 ( -0.000 6.560 -0.000) 6.560 3.610 ( 0.000 -13.235 -0.000) 13.235 3.610 ( 0.000 13.235 0.000) 13.235 4.022 ( 0.000 -1.935 0.000) 1.935 4.022 ( 0.000 1.935 0.000) 1.935 4.210 ( 0.000 -1.318 -0.000) 1.318 4.210 ( 0.000 1.318 -0.000) 1.318 4.371 ( 0.000 -2.105 -0.000) 2.105 4.371 ( 0.000 2.105 -0.000) 2.105 4.706 ( 0.000 -6.560 -0.000) 6.560 4.706 ( 0.000 6.560 0.000) 6.560 4.756 ( 0.000 -17.892 -0.000) 17.892 4.756 ( -0.000 17.892 0.000) 17.892 5.160 ( 0.000 -10.670 -0.000) 10.670 5.160 ( 0.000 10.670 0.000) 10.670 5.255 ( -0.000 -2.528 0.000) 2.528 5.255 ( 0.000 2.528 -0.000) 2.528 5.396 ( 0.000 -9.014 0.000) 9.014 5.396 ( 0.000 9.014 0.000) 9.014 5.471 ( -0.000 -4.293 -0.000) 4.293 5.471 ( 0.000 4.293 -0.000) 4.293 5.626 ( 0.000 -9.061 0.000) 9.061 5.626 ( 0.000 9.061 0.000) 9.061 5.800 ( -0.000 -0.211 0.000) 0.211 5.800 ( 0.000 0.211 -0.000) 0.211 5.976 ( 0.000 -6.490 0.000) 6.490 5.976 ( 0.000 6.490 -0.000) 6.490 6.135 ( -0.000 -8.761 0.000) 8.761 6.135 ( -0.000 8.761 0.000) 8.761 6.181 ( 0.000 -2.172 -0.000) 2.172 6.181 ( 0.000 2.172 -0.000) 2.172 6.398 ( 0.000 -11.022 -0.000) 11.022 6.398 ( 0.000 11.022 0.000) 11.022 6.554 ( 0.000 -1.665 0.000) 1.665 6.554 ( 0.000 1.665 -0.000) 1.665 6.738 ( 0.000 -12.609 0.000) 12.609 6.738 ( 0.000 12.609 -0.000) 12.609 6.887 ( 0.000 -6.992 0.000) 6.992 6.887 ( 0.000 6.992 -0.000) 6.992 7.199 ( 0.000 -10.725 -0.000) 10.725 7.199 ( 0.000 10.725 0.000) 10.725 7.555 ( 0.000 -0.324 0.000) 0.324 7.555 ( 0.000 0.325 -0.000) 0.325 7.966 ( 0.000 -2.360 -0.000) 2.360 7.966 ( 0.000 2.360 -0.000) 2.360 8.009 ( 0.000 -5.119 0.000) 5.119 8.009 ( 0.000 5.119 0.000) 5.119 8.214 ( -0.000 -1.134 -0.000) 1.134 8.214 ( -0.000 1.134 -0.000) 1.134 8.260 ( 0.000 -0.764 0.000) 0.764 8.260 ( 0.000 0.764 0.000) 0.764 8.418 ( 0.000 -3.127 -0.000) 3.127 8.418 ( 0.000 3.127 0.000) 3.127 8.839 ( 0.000 -0.039 0.000) 0.039 8.839 ( 0.000 0.039 0.000) 0.039 9.006 ( 0.000 -1.370 -0.000) 1.370 9.006 ( 0.000 1.370 -0.000) 1.370 9.162 ( -0.000 -14.368 -0.000) 14.368 9.162 ( 0.000 14.368 0.000) 14.368 9.520 ( 0.000 -6.763 -0.000) 6.763 9.520 ( 0.000 6.763 0.000) 6.763 9.680 ( 0.000 -0.541 -0.000) 0.541 9.680 ( 0.000 0.541 -0.000) 0.541 10.201 ( 0.000 -7.909 -0.000) 7.909 10.201 ( 0.000 7.909 0.000) 7.909 10.470 ( 0.000 -0.234 -0.000) 0.234 10.470 ( 0.000 0.234 -0.000) 0.234 10.905 ( 0.000 -7.818 -0.000) 7.818 10.905 ( 0.000 7.818 0.000) 7.818 11.072 ( 0.000 -8.314 0.000) 8.314 11.072 ( -0.000 8.314 0.000) 8.314 11.370 ( 0.000 -6.753 0.000) 6.753 11.370 ( 0.000 6.753 0.000) 6.753 11.628 ( 0.000 -3.666 0.000) 3.666 11.628 ( 0.000 3.666 -0.000) 3.666 11.939 ( 0.000 -7.914 0.000) 7.914 11.939 ( 0.000 7.914 0.000) 7.914 12.204 ( -0.000 -7.663 0.000) 7.663 12.204 ( 0.000 7.663 -0.000) 7.663 12.222 ( 0.000 -0.278 -0.000) 0.278 12.222 ( 0.000 0.278 0.000) 0.278 12.874 ( 0.000 -2.210 0.000) 2.210 12.874 ( 0.000 2.210 0.000) 2.210 13.225 ( 0.000 -5.941 0.000) 5.941 13.225 ( 0.000 5.941 -0.000) 5.941 13.275 ( 0.000 -3.484 -0.000) 3.484 13.275 ( 0.000 3.484 0.000) 3.484 13.725 ( 0.000 -6.941 -0.000) 6.941 13.725 ( 0.000 6.941 -0.000) 6.941 13.940 ( 0.000 -0.898 -0.000) 0.898 13.940 ( 0.000 0.898 0.000) 0.898 15.513 ( 0.000 -1.018 0.000) 1.018 15.513 ( 0.000 1.018 0.000) 1.018 15.804 ( 0.000 -1.112 -0.000) 1.112 15.804 ( 0.000 1.112 -0.000) 1.112 16.290 ( 0.000 -0.291 0.000) 0.291 16.290 ( 0.000 0.291 0.000) 0.291 16.403 ( 0.000 -8.253 0.000) 8.253 16.403 ( 0.000 8.253 0.000) 8.253 17.188 ( 0.000 -2.829 0.000) 2.829 17.188 ( 0.000 2.829 0.000) 2.829 17.658 ( 0.000 -9.811 0.000) 9.811 17.658 ( 0.000 9.811 0.000) 9.811 18.074 ( 0.000 -6.456 0.000) 6.456 18.074 ( 0.000 6.456 0.000) 6.456 18.817 ( 0.000 -0.485 0.000) 0.485 18.817 ( 0.000 0.485 0.000) 0.485 18.934 ( 0.000 -6.806 -0.000) 6.806 18.934 ( -0.000 6.806 -0.000) 6.806 19.572 ( 0.000 -2.756 0.000) 2.756 19.572 ( 0.000 2.756 -0.000) 2.756 19.744 ( 0.000 -14.411 -0.000) 14.411 19.744 ( 0.000 14.411 0.000) 14.411 19.935 ( 0.000 -6.173 0.000) 6.173 19.935 ( 0.000 6.173 0.000) 6.173 20.395 ( 0.000 -9.400 0.000) 9.400 20.395 ( 0.000 9.400 0.000) 9.400 20.653 ( 0.000 -7.870 -0.000) 7.870 20.653 ( 0.000 7.870 -0.000) 7.870 21.017 ( 0.000 -13.912 -0.000) 13.912 21.017 ( 0.000 13.912 0.000) 13.912 21.299 ( 0.000 -12.484 -0.000) 12.484 21.299 ( 0.000 12.484 -0.000) 12.484 22.095 ( 0.000 -0.211 -0.000) 0.211 22.095 ( 0.000 0.211 0.000) 0.211 22.336 ( 0.000 -3.661 -0.000) 3.661 22.336 ( 0.000 3.661 -0.000) 3.661 22.685 ( 0.000 -0.822 0.000) 0.822 22.685 ( 0.000 0.822 -0.000) 0.822 22.845 ( 0.000 -6.617 0.000) 6.617 22.845 ( 0.000 6.617 0.000) 6.617 23.002 ( 0.000 -10.298 0.000) 10.298 23.002 ( 0.000 10.298 -0.000) 10.298 23.379 ( 0.000 -3.735 0.000) 3.735 23.379 ( 0.000 3.735 0.000) 3.735 23.695 ( 0.000 -5.775 -0.000) 5.775 23.695 ( 0.000 5.775 -0.000) 5.775 24.227 ( 0.000 -1.357 -0.000) 1.357 24.227 ( 0.000 1.357 -0.000) 1.357 24.295 ( 0.000 -1.978 -0.000) 1.978 24.295 ( 0.000 1.978 -0.000) 1.978 24.557 ( 0.000 -2.675 -0.000) 2.675 24.557 ( 0.000 2.675 0.000) 2.675 24.735 ( 0.000 -0.406 -0.000) 0.406 24.735 ( -0.000 0.406 0.000) 0.406 25.237 ( 0.000 -2.707 -0.000) 2.707 25.237 ( 0.000 2.707 0.000) 2.707 25.460 ( 0.000 -2.643 -0.000) 2.643 25.460 ( 0.000 2.643 0.000) 2.643 25.509 ( 0.000 -3.802 0.000) 3.802 25.509 ( 0.000 3.802 0.000) 3.802 26.247 ( 0.000 -5.442 -0.000) 5.442 26.247 ( 0.000 5.442 -0.000) 5.442 26.583 ( 0.000 -6.725 -0.000) 6.725 26.583 ( 0.000 6.725 0.000) 6.725 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 7.639 0.000 35.347) 36.163 0.759 ( 4.891 0.000 37.936) 38.250 1.528 ( 12.650 0.000 72.821) 73.912 2.140 ( -2.411 0.000 -1.091) 2.646 2.506 ( -1.657 0.000 -19.382) 19.453 2.579 ( -8.573 0.000 7.063) 11.108 2.765 ( -5.044 0.000 10.075) 11.267 2.893 ( -1.261 0.000 3.748) 3.955 2.909 ( -7.340 0.000 3.756) 8.245 2.995 ( 0.265 0.000 -7.859) 7.864 3.128 ( -4.294 0.000 5.146) 6.702 3.183 ( -4.079 0.000 -5.010) 6.460 3.526 ( 2.456 0.000 -8.807) 9.143 3.579 ( -3.563 0.000 11.922) 12.443 3.665 ( -0.092 0.000 10.168) 10.169 3.803 ( -0.736 0.000 -0.714) 1.025 3.952 ( 0.999 0.000 -2.836) 3.007 4.142 ( -3.682 0.000 -3.138) 4.838 4.191 ( 5.584 0.000 2.687) 6.197 4.202 ( -0.701 0.000 -2.784) 2.871 4.307 ( 4.774 0.000 -10.336) 11.385 4.558 ( -5.758 0.000 10.529) 12.000 4.602 ( -2.454 0.000 -16.964) 17.140 4.655 ( -4.355 0.000 -10.150) 11.045 4.731 ( -4.048 0.000 3.651) 5.451 4.840 ( 1.864 0.000 1.263) 2.252 4.845 ( 8.442 0.000 -1.730) 8.618 5.096 ( -3.809 0.000 -1.703) 4.173 5.153 ( 0.055 0.000 -5.433) 5.434 5.297 ( 3.954 0.000 7.924) 8.855 5.300 ( 4.654 0.000 7.263) 8.627 5.399 ( -12.566 0.000 -19.408) 23.120 5.469 ( 3.771 0.000 -3.239) 4.971 5.545 ( 0.387 0.000 4.716) 4.731 5.680 ( 0.942 0.000 -0.313) 0.993 5.704 ( -3.300 0.000 -2.853) 4.362 5.819 ( -2.795 0.000 7.853) 8.335 5.831 ( -7.676 0.000 -8.005) 11.091 5.870 ( 3.489 0.000 4.425) 5.636 6.019 ( -4.642 0.000 -6.319) 7.841 6.095 ( 0.499 0.000 3.799) 3.831 6.224 ( 0.390 0.000 9.069) 9.077 6.371 ( 4.547 0.000 8.120) 9.306 6.453 ( -5.437 0.000 4.001) 6.751 6.566 ( 2.948 0.000 -0.858) 3.070 6.714 ( 3.974 0.000 -2.976) 4.965 6.759 ( 6.413 0.000 3.539) 7.325 6.793 ( 1.642 0.000 -1.200) 2.034 7.181 ( -7.421 0.000 -4.761) 8.817 7.218 ( -4.503 0.000 -3.899) 5.956 7.270 ( 2.579 0.000 -8.628) 9.005 7.440 ( -1.311 0.000 6.740) 6.866 7.460 ( 6.258 0.000 0.522) 6.280 7.698 ( 5.289 0.000 -9.390) 10.777 7.874 ( -1.949 0.000 -6.635) 6.916 7.881 ( -5.657 0.000 -2.411) 6.150 7.969 ( -5.803 0.000 -12.957) 14.197 7.988 ( 10.162 0.000 1.021) 10.213 8.019 ( 3.251 0.000 -8.896) 9.471 8.034 ( -13.257 0.000 -10.178) 16.714 8.066 ( 1.247 0.000 6.286) 6.408 8.244 ( -8.941 0.000 -8.444) 12.298 8.282 ( 0.475 0.000 -8.552) 8.565 8.413 ( 0.351 0.000 -12.708) 12.712 8.460 ( 8.964 0.000 -3.040) 9.465 8.547 ( 8.263 0.000 -10.950) 13.718 8.694 ( 5.850 0.000 7.207) 9.283 8.752 ( 12.722 0.000 -0.791) 12.746 8.858 ( -4.010 0.000 10.400) 11.146 9.085 ( -5.970 0.000 5.910) 8.401 9.201 ( -9.300 0.000 8.490) 12.593 9.220 ( -7.166 0.000 -2.358) 7.544 9.421 ( 12.828 0.000 18.909) 22.850 9.423 ( 11.856 0.000 12.923) 17.538 9.795 ( 8.081 0.000 -1.465) 8.212 9.863 ( 5.821 0.000 2.641) 6.392 10.053 ( 5.507 0.000 -4.642) 7.202 10.220 ( -1.765 0.000 12.465) 12.589 10.247 ( -11.628 0.000 10.552) 15.702 10.370 ( 12.978 0.000 -5.245) 13.998 10.552 ( 11.737 0.000 0.803) 11.764 10.653 ( -3.479 0.000 -2.671) 4.386 10.960 ( -9.624 0.000 13.287) 16.406 10.981 ( -16.458 0.000 16.437) 23.260 11.098 ( -1.246 0.000 7.580) 7.682 11.303 ( 3.479 0.000 -4.445) 5.644 11.331 ( 0.228 0.000 -2.946) 2.955 11.514 ( -1.927 0.000 -5.747) 6.061 11.773 ( 10.094 0.000 1.978) 10.286 11.857 ( -27.288 0.000 -9.517) 28.900 12.273 ( 4.498 0.000 -12.591) 13.370 12.353 ( -0.359 0.000 -6.066) 6.077 12.615 ( -1.643 0.000 1.178) 2.022 12.630 ( -2.724 0.000 -7.259) 7.754 12.720 ( -6.094 0.000 -2.670) 6.653 12.789 ( 2.334 0.000 -8.767) 9.073 13.042 ( 1.124 0.000 8.510) 8.584 13.064 ( -2.935 0.000 12.424) 12.766 13.176 ( -4.034 0.000 -0.438) 4.057 13.413 ( -6.787 0.000 0.297) 6.794 13.504 ( 6.822 0.000 -3.214) 7.541 13.640 ( -15.822 0.000 4.790) 16.531 13.648 ( -1.160 0.000 -4.692) 4.833 13.855 ( 7.007 0.000 1.215) 7.112 15.385 ( 1.322 0.000 2.678) 2.986 15.508 ( -1.464 0.000 0.015) 1.465 15.597 ( 0.142 0.000 2.767) 2.771 15.907 ( -2.747 0.000 -0.517) 2.795 16.005 ( -0.762 0.000 3.041) 3.135 16.125 ( 4.593 0.000 -5.529) 7.188 16.664 ( 4.391 0.000 -4.699) 6.432 16.731 ( -1.037 0.000 -12.176) 12.220 16.872 ( -1.182 0.000 7.967) 8.055 16.909 ( 3.818 0.000 9.340) 10.090 17.279 ( -0.063 0.000 14.241) 14.242 17.757 ( 1.207 0.000 -7.002) 7.105 17.786 ( -2.124 0.000 -10.027) 10.250 18.365 ( -0.236 0.000 -8.909) 8.912 18.440 ( 2.447 0.000 -10.143) 10.434 18.606 ( 1.500 0.000 -2.917) 3.280 18.830 ( 5.447 0.000 7.564) 9.321 19.198 ( 0.895 0.000 -7.998) 8.048 19.338 ( -4.322 0.000 2.499) 4.992 19.477 ( 5.572 0.000 -4.265) 7.017 19.522 ( -3.311 0.000 -4.653) 5.711 19.657 ( -2.112 0.000 1.784) 2.765 19.772 ( 9.646 0.000 -0.585) 9.664 19.816 ( 2.201 0.000 -2.079) 3.028 20.504 ( 1.729 0.000 6.010) 6.254 20.541 ( 6.088 0.000 7.580) 9.723 20.717 ( 27.122 0.000 -0.269) 27.123 20.897 ( 1.990 0.000 5.531) 5.878 21.364 ( -3.425 0.000 -14.145) 14.554 21.366 ( -0.962 0.000 -1.568) 1.839 21.595 ( -2.167 0.000 22.358) 22.463 21.883 ( -0.367 0.000 3.867) 3.885 22.093 ( 0.416 0.000 6.612) 6.625 22.096 ( 1.538 0.000 -1.879) 2.428 22.330 ( -0.492 0.000 8.217) 8.232 22.612 ( 0.012 0.000 0.184) 0.185 22.647 ( -1.117 0.000 0.559) 1.249 22.727 ( -0.474 0.000 1.149) 1.243 22.733 ( -1.395 0.000 5.777) 5.943 22.944 ( 5.761 0.000 -0.150) 5.763 23.007 ( -1.300 0.000 -0.184) 1.313 23.137 ( -0.295 0.000 -2.875) 2.890 23.206 ( 5.156 0.000 -2.886) 5.908 23.283 ( 0.895 0.000 0.365) 0.967 23.666 ( 3.324 0.000 1.540) 3.664 23.790 ( -1.704 0.000 -1.797) 2.476 23.974 ( -3.805 0.000 1.528) 4.100 24.157 ( 2.226 0.000 -2.121) 3.075 24.537 ( -1.742 0.000 0.706) 1.879 24.612 ( 0.600 0.000 -2.124) 2.207 24.649 ( -4.394 0.000 -5.450) 7.000 24.794 ( -0.227 0.000 -8.158) 8.161 24.938 ( 2.417 0.000 -11.121) 11.380 25.004 ( -7.225 0.000 -4.903) 8.732 25.168 ( 0.283 0.000 6.684) 6.690 25.298 ( -8.056 0.000 3.025) 8.605 25.379 ( -15.914 0.000 4.972) 16.672 25.469 ( 1.638 0.000 -2.659) 3.123 25.624 ( 1.387 0.000 -3.468) 3.736 25.636 ( 5.382 0.000 -3.160) 6.240 25.857 ( -9.132 0.000 9.765) 13.370 25.944 ( 2.216 0.000 9.140) 9.405 26.117 ( 5.812 0.000 -1.492) 6.001 26.664 ( -0.037 0.000 -6.753) 6.753 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 27.670 0.000 26.602) 38.384 1.222 ( 28.907 0.000 23.959) 37.545 2.147 ( 1.538 0.000 2.807) 3.201 2.195 ( 24.885 0.000 49.915) 55.774 2.388 ( -8.199 0.000 1.997) 8.439 2.515 ( 9.400 0.000 -12.047) 15.280 2.710 ( -6.160 0.000 -9.147) 11.028 2.775 ( 3.740 0.000 -1.587) 4.063 2.796 ( 2.732 0.000 -3.677) 4.581 3.164 ( 11.084 0.000 -3.833) 11.729 3.217 ( 4.593 0.000 12.848) 13.645 3.311 ( 8.054 0.000 -0.329) 8.061 3.527 ( -0.138 0.000 -3.022) 3.025 3.558 ( -1.172 0.000 3.999) 4.167 3.751 ( 6.707 0.000 8.849) 11.103 3.801 ( 0.233 0.000 2.024) 2.038 3.971 ( -0.829 0.000 -2.028) 2.191 4.099 ( 0.804 0.000 -4.936) 5.001 4.177 ( -10.030 0.000 1.093) 10.089 4.243 ( 2.072 0.000 -2.290) 3.088 4.388 ( 4.934 0.000 -7.930) 9.340 4.391 ( -2.993 0.000 -13.615) 13.940 4.530 ( 0.741 0.000 13.342) 13.363 4.683 ( -3.734 0.000 -3.101) 4.854 4.758 ( -6.908 0.000 -0.122) 6.910 4.778 ( -1.948 0.000 -4.294) 4.715 4.821 ( 8.864 0.000 5.590) 10.479 5.086 ( 5.410 0.000 -6.915) 8.780 5.110 ( -8.266 0.000 -0.894) 8.314 5.306 ( 6.252 0.000 -2.136) 6.606 5.391 ( -4.181 0.000 0.827) 4.262 5.408 ( 3.533 0.000 8.322) 9.041 5.518 ( -1.385 0.000 -3.169) 3.459 5.519 ( -0.363 0.000 6.766) 6.776 5.653 ( 1.989 0.000 -11.831) 11.997 5.676 ( 1.899 0.000 6.344) 6.622 5.756 ( -4.885 0.000 2.024) 5.287 5.798 ( -2.255 0.000 -0.487) 2.307 5.933 ( 2.735 0.000 6.583) 7.128 5.941 ( 2.352 0.000 -18.071) 18.223 6.059 ( -6.371 0.000 6.349) 8.994 6.162 ( -6.201 0.000 7.082) 9.412 6.293 ( -7.073 0.000 -2.675) 7.562 6.386 ( -2.450 0.000 0.059) 2.451 6.542 ( -4.147 0.000 -4.712) 6.277 6.651 ( -8.072 0.000 -4.179) 9.090 6.816 ( 0.075 0.000 6.149) 6.150 6.882 ( -2.576 0.000 12.491) 12.754 7.010 ( -9.448 0.000 -4.881) 10.634 7.120 ( -5.563 0.000 -2.448) 6.078 7.197 ( -3.485 0.000 -7.153) 7.956 7.275 ( -12.121 0.000 -5.905) 13.483 7.545 ( -9.512 0.000 -6.393) 11.461 7.571 ( -1.259 0.000 1.023) 1.622 7.632 ( -8.727 0.000 -23.132) 24.723 7.738 ( -8.274 0.000 -0.619) 8.297 7.784 ( -7.943 0.000 -4.928) 9.347 7.892 ( -3.495 0.000 -4.629) 5.800 7.957 ( 6.076 0.000 -11.094) 12.649 8.050 ( 0.438 0.000 -7.217) 7.230 8.093 ( -3.338 0.000 7.632) 8.330 8.201 ( -1.885 0.000 5.099) 5.436 8.351 ( 0.873 0.000 -5.493) 5.562 8.516 ( 11.711 0.000 -10.301) 15.597 8.533 ( -0.515 0.000 7.553) 7.570 8.761 ( -5.311 0.000 14.331) 15.283 8.771 ( 12.955 0.000 -9.114) 15.839 8.785 ( 0.229 0.000 4.351) 4.357 8.806 ( 4.376 0.000 -2.584) 5.082 8.969 ( -4.336 0.000 3.136) 5.352 9.087 ( -0.881 0.000 -0.092) 0.885 9.175 ( 5.791 0.000 -4.284) 7.203 9.573 ( -2.223 0.000 14.864) 15.030 9.831 ( 11.937 0.000 14.370) 18.681 10.029 ( -0.226 0.000 -4.143) 4.149 10.098 ( 12.087 0.000 -9.216) 15.200 10.117 ( 15.027 0.000 3.916) 15.529 10.236 ( 4.791 0.000 3.344) 5.843 10.282 ( -5.784 0.000 6.066) 8.382 10.326 ( -5.186 0.000 10.375) 11.599 10.523 ( -13.460 0.000 13.510) 19.070 10.654 ( 8.352 0.000 -5.630) 10.073 10.981 ( 4.937 0.000 6.101) 7.848 11.047 ( 14.649 0.000 3.416) 15.042 11.138 ( 4.092 0.000 4.017) 5.734 11.309 ( -5.376 0.000 -4.191) 6.816 11.415 ( 3.834 0.000 -4.129) 5.635 11.487 ( 5.558 0.000 0.838) 5.621 11.670 ( 12.075 0.000 -14.717) 19.036 11.825 ( -4.059 0.000 6.089) 7.318 12.271 ( -8.319 0.000 0.813) 8.359 12.421 ( -9.000 0.000 -0.194) 9.002 12.437 ( 11.327 0.000 -11.790) 16.349 12.566 ( -2.821 0.000 -0.650) 2.895 12.722 ( 0.561 0.000 -4.631) 4.665 12.809 ( 0.009 0.000 -4.537) 4.537 13.063 ( 2.041 0.000 6.559) 6.870 13.113 ( 3.518 0.000 6.702) 7.569 13.184 ( 0.273 0.000 -3.589) 3.599 13.256 ( -2.704 0.000 -6.415) 6.962 13.428 ( -6.257 0.000 3.936) 7.392 13.672 ( 3.234 0.000 -0.510) 3.274 13.697 ( 6.457 0.000 4.955) 8.140 13.948 ( 1.592 0.000 3.263) 3.631 15.417 ( 2.167 0.000 3.311) 3.957 15.483 ( -0.585 0.000 -1.193) 1.329 15.626 ( 2.943 0.000 2.991) 4.196 15.832 ( -3.639 0.000 -2.000) 4.153 15.970 ( -2.654 0.000 3.430) 4.337 16.214 ( 4.359 0.000 -0.834) 4.438 16.552 ( -9.963 0.000 -10.389) 14.394 16.693 ( -2.373 0.000 -9.218) 9.518 16.934 ( 2.090 0.000 11.662) 11.848 17.012 ( 7.885 0.000 8.547) 11.629 17.302 ( 0.914 0.000 8.685) 8.733 17.791 ( 2.584 0.000 -12.558) 12.821 17.796 ( 3.185 0.000 -4.026) 5.133 18.206 ( -13.593 0.000 3.275) 13.982 18.469 ( 3.891 0.000 -19.335) 19.722 18.527 ( -7.778 0.000 -3.772) 8.644 19.000 ( 6.316 0.000 1.390) 6.467 19.188 ( -0.670 0.000 -7.498) 7.528 19.247 ( -3.698 0.000 3.416) 5.034 19.417 ( -4.998 0.000 -4.616) 6.803 19.515 ( -0.048 0.000 0.082) 0.095 19.599 ( -2.571 0.000 -0.653) 2.653 19.809 ( -3.167 0.000 -4.683) 5.653 19.862 ( 1.341 0.000 0.219) 1.359 20.543 ( 3.352 0.000 9.209) 9.800 20.604 ( 7.263 0.000 7.522) 10.456 20.938 ( -2.101 0.000 -2.438) 3.219 21.136 ( -0.346 0.000 -13.249) 13.254 21.273 ( 0.112 0.000 -9.489) 9.490 21.286 ( -5.765 0.000 -0.448) 5.782 21.575 ( -2.503 0.000 22.172) 22.313 21.899 ( 1.165 0.000 3.940) 4.108 22.075 ( -3.773 0.000 6.060) 7.138 22.131 ( 2.082 0.000 -0.613) 2.171 22.299 ( -3.898 0.000 8.899) 9.715 22.479 ( -17.652 0.000 12.574) 21.672 22.616 ( -1.579 0.000 0.390) 1.626 22.654 ( -1.998 0.000 4.316) 4.756 22.703 ( -1.585 0.000 2.719) 3.147 22.774 ( -3.076 0.000 7.563) 8.164 23.000 ( 0.859 0.000 -1.674) 1.881 23.136 ( 0.406 0.000 -3.784) 3.805 23.300 ( 1.388 0.000 1.181) 1.822 23.429 ( 7.418 0.000 -8.346) 11.167 23.679 ( -2.997 0.000 5.180) 5.984 23.773 ( -1.221 0.000 -2.342) 2.641 23.995 ( 5.644 0.000 -3.080) 6.430 24.180 ( -6.274 0.000 4.888) 7.953 24.226 ( -3.141 0.000 3.498) 4.701 24.339 ( -11.657 0.000 -2.758) 11.979 24.658 ( 0.296 0.000 0.897) 0.945 24.762 ( -8.794 0.000 -3.413) 9.433 24.847 ( 1.872 0.000 -7.973) 8.190 24.955 ( 0.308 0.000 -5.675) 5.684 25.154 ( -0.228 0.000 4.960) 4.966 25.240 ( 3.663 0.000 5.099) 6.278 25.306 ( -0.806 0.000 2.123) 2.271 25.492 ( 0.331 0.000 -4.082) 4.095 25.576 ( -4.395 0.000 -1.231) 4.565 25.629 ( -1.589 0.000 -2.715) 3.146 25.878 ( 7.014 0.000 4.359) 8.259 26.128 ( 10.299 0.000 11.519) 15.452 26.248 ( 9.309 0.000 -0.829) 9.346 26.937 ( 8.331 0.000 -17.908) 19.751 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 20.777 0.000 18.118) 27.568 1.899 ( 30.047 0.000 7.722) 31.023 2.188 ( 2.651 0.000 -0.138) 2.654 2.297 ( -0.312 0.000 5.335) 5.344 2.357 ( -2.919 0.000 -5.459) 6.190 2.648 ( 2.352 0.000 -6.083) 6.522 2.824 ( 11.046 0.000 -1.311) 11.124 2.929 ( -2.479 0.000 6.205) 6.682 2.949 ( 11.227 0.000 -7.538) 13.523 3.258 ( -2.143 0.000 4.145) 4.666 3.346 ( 5.825 0.000 14.088) 15.244 3.497 ( 6.133 0.000 0.634) 6.166 3.508 ( -2.227 0.000 5.736) 6.153 3.588 ( 11.799 0.000 -4.397) 12.591 3.786 ( -11.398 0.000 12.947) 17.249 3.910 ( 3.399 0.000 -1.061) 3.561 3.967 ( -4.824 0.000 -3.318) 5.855 3.977 ( 12.100 0.000 5.343) 13.227 4.124 ( -0.625 0.000 1.357) 1.494 4.134 ( -7.182 0.000 -3.380) 7.938 4.436 ( 1.150 0.000 12.637) 12.689 4.499 ( 4.314 0.000 -3.525) 5.571 4.521 ( -8.816 0.000 -7.746) 11.736 4.571 ( -1.243 0.000 -1.129) 1.680 4.684 ( 2.243 0.000 -0.336) 2.268 4.765 ( 10.943 0.000 -10.019) 14.836 4.969 ( -4.822 0.000 -0.849) 4.896 5.079 ( 5.858 0.000 8.402) 10.243 5.171 ( -12.363 0.000 -8.146) 14.806 5.240 ( 8.608 0.000 -6.549) 10.816 5.358 ( 0.612 0.000 8.734) 8.755 5.410 ( -7.512 0.000 -2.178) 7.821 5.509 ( 6.733 0.000 5.686) 8.812 5.549 ( -3.655 0.000 1.985) 4.159 5.629 ( -7.949 0.000 3.930) 8.868 5.724 ( 2.486 0.000 -7.986) 8.364 5.753 ( 3.923 0.000 6.845) 7.890 5.809 ( -13.503 0.000 9.096) 16.281 5.824 ( 7.660 0.000 -4.392) 8.830 5.830 ( -11.535 0.000 -9.983) 15.255 6.027 ( 4.145 0.000 2.718) 4.957 6.122 ( 1.679 0.000 -12.098) 12.214 6.134 ( 1.660 0.000 8.345) 8.508 6.338 ( -9.015 0.000 -4.371) 10.019 6.418 ( -12.677 0.000 0.717) 12.698 6.451 ( -4.833 0.000 0.331) 4.845 6.626 ( -10.855 0.000 8.896) 14.035 6.680 ( -15.715 0.000 8.080) 17.670 6.893 ( -0.291 0.000 3.504) 3.516 7.020 ( 2.094 0.000 -16.764) 16.894 7.113 ( -3.707 0.000 -10.075) 10.735 7.195 ( 0.901 0.000 5.450) 5.524 7.419 ( -2.668 0.000 -26.729) 26.862 7.424 ( -3.839 0.000 -5.593) 6.784 7.516 ( -5.092 0.000 -0.722) 5.143 7.663 ( 2.458 0.000 -9.821) 10.124 7.702 ( 1.923 0.000 -8.730) 8.939 7.817 ( -3.850 0.000 -3.903) 5.482 7.962 ( -7.970 0.000 11.178) 13.729 8.014 ( -2.738 0.000 -5.914) 6.517 8.044 ( 1.370 0.000 1.383) 1.947 8.235 ( 4.651 0.000 1.216) 4.808 8.352 ( -1.577 0.000 -7.147) 7.319 8.538 ( -0.380 0.000 7.797) 7.806 8.621 ( 0.203 0.000 -6.982) 6.985 8.650 ( -2.762 0.000 19.222) 19.419 8.838 ( 4.337 0.000 -12.384) 13.122 8.895 ( 4.641 0.000 4.583) 6.523 8.904 ( -3.297 0.000 4.189) 5.331 9.062 ( 10.473 0.000 -15.660) 18.839 9.199 ( 7.674 0.000 -5.864) 9.659 9.309 ( 3.680 0.000 4.890) 6.120 9.571 ( 6.909 0.000 10.869) 12.879 9.896 ( -7.416 0.000 12.706) 14.712 10.048 ( 0.057 0.000 -2.093) 2.093 10.060 ( -6.207 0.000 1.936) 6.502 10.139 ( -12.037 0.000 11.335) 16.534 10.245 ( 2.284 0.000 -10.348) 10.597 10.427 ( 0.403 0.000 18.342) 18.347 10.460 ( 12.053 0.000 7.411) 14.149 10.467 ( 14.513 0.000 1.635) 14.605 10.885 ( 6.724 0.000 -1.741) 6.945 11.036 ( -13.603 0.000 -4.657) 14.379 11.076 ( 3.072 0.000 8.035) 8.602 11.172 ( 1.002 0.000 -2.361) 2.565 11.309 ( 6.442 0.000 1.465) 6.606 11.530 ( 8.046 0.000 -2.598) 8.455 11.605 ( -3.215 0.000 0.497) 3.253 11.891 ( 7.218 0.000 -11.709) 13.755 11.902 ( 15.612 0.000 3.693) 16.042 12.043 ( -13.209 0.000 4.573) 13.979 12.363 ( 5.862 0.000 -0.084) 5.863 12.470 ( -5.925 0.000 -3.854) 7.068 12.655 ( 10.775 0.000 -5.512) 12.103 12.705 ( -0.912 0.000 -4.027) 4.129 12.774 ( -1.836 0.000 -4.238) 4.619 13.038 ( -8.211 0.000 -7.610) 11.195 13.107 ( 0.995 0.000 4.823) 4.925 13.168 ( -2.619 0.000 -2.085) 3.348 13.328 ( 3.976 0.000 -5.569) 6.843 13.373 ( 2.650 0.000 6.683) 7.189 13.763 ( 4.025 0.000 0.959) 4.137 13.764 ( -1.309 0.000 9.854) 9.940 13.955 ( -0.730 0.000 3.568) 3.642 15.488 ( 1.139 0.000 0.027) 1.139 15.514 ( 6.287 0.000 2.970) 6.953 15.751 ( -3.820 0.000 -0.771) 3.898 15.765 ( 9.148 0.000 1.776) 9.319 15.927 ( -0.912 0.000 5.204) 5.283 16.287 ( 1.765 0.000 -1.056) 2.057 16.293 ( -13.090 0.000 -6.283) 14.520 16.557 ( -5.997 0.000 -9.073) 10.876 17.115 ( 11.953 0.000 8.662) 14.762 17.167 ( 5.250 0.000 4.266) 6.764 17.352 ( 1.536 0.000 6.164) 6.352 17.720 ( -12.435 0.000 -7.416) 14.479 17.877 ( 5.100 0.000 -0.814) 5.165 17.973 ( -2.768 0.000 -0.963) 2.931 18.305 ( -11.356 0.000 -4.726) 12.300 18.517 ( 3.361 0.000 -16.723) 17.057 18.997 ( -4.696 0.000 -4.504) 6.507 19.152 ( -0.997 0.000 -5.726) 5.812 19.280 ( 4.613 0.000 7.973) 9.211 19.330 ( -2.015 0.000 -2.801) 3.451 19.490 ( -2.790 0.000 6.572) 7.140 19.582 ( 1.653 0.000 -1.802) 2.446 19.746 ( -0.397 0.000 -10.011) 10.019 19.851 ( -2.515 0.000 2.386) 3.467 20.629 ( -1.410 0.000 8.852) 8.964 20.748 ( -8.804 0.000 -16.329) 18.551 20.829 ( 9.022 0.000 5.220) 10.423 20.982 ( -5.636 0.000 -10.359) 11.793 21.154 ( -4.951 0.000 14.572) 15.390 21.391 ( 9.610 0.000 3.325) 10.169 21.534 ( -5.528 0.000 16.205) 17.122 21.928 ( -6.607 0.000 4.975) 8.271 21.958 ( -0.900 0.000 4.538) 4.626 22.187 ( 3.170 0.000 0.275) 3.182 22.209 ( -5.540 0.000 8.028) 9.754 22.244 ( -6.818 0.000 6.060) 9.122 22.598 ( 0.083 0.000 -0.363) 0.373 22.651 ( 0.036 0.000 2.156) 2.156 22.685 ( -0.674 0.000 2.031) 2.140 22.748 ( -1.405 0.000 4.874) 5.072 23.033 ( 2.459 0.000 -4.340) 4.988 23.133 ( 0.211 0.000 -4.428) 4.433 23.369 ( 4.860 0.000 1.478) 5.080 23.483 ( -1.215 0.000 1.854) 2.217 23.592 ( -5.740 0.000 3.914) 6.948 23.772 ( 3.148 0.000 -8.075) 8.667 24.063 ( -5.353 0.000 -5.092) 7.388 24.117 ( -0.268 0.000 -3.648) 3.657 24.189 ( 4.826 0.000 -0.270) 4.833 24.273 ( 2.876 0.000 2.267) 3.661 24.566 ( -8.058 0.000 -2.536) 8.448 24.605 ( -5.490 0.000 1.911) 5.813 24.871 ( 1.387 0.000 -5.537) 5.708 24.944 ( -0.150 0.000 -3.487) 3.490 25.181 ( 1.339 0.000 4.247) 4.453 25.259 ( -1.527 0.000 4.732) 4.973 25.358 ( 3.860 0.000 -0.027) 3.860 25.432 ( -3.174 0.000 -2.336) 3.941 25.543 ( 0.248 0.000 -2.812) 2.823 25.631 ( 1.391 0.000 -5.148) 5.332 26.031 ( 5.947 0.000 4.394) 7.394 26.324 ( 5.199 0.000 10.811) 11.996 26.487 ( 12.171 0.000 -1.904) 12.319 26.929 ( -4.017 0.000 -11.393) 12.080 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -13.650 0.000 6.331) 15.047 2.099 ( -22.036 0.000 -8.145) 23.494 2.297 ( 7.614 0.000 -2.291) 7.951 2.401 ( 13.328 0.000 -6.907) 15.011 2.478 ( 11.549 0.000 10.998) 15.948 2.776 ( 7.172 0.000 12.480) 14.394 2.827 ( 2.242 0.000 11.299) 11.520 3.024 ( 5.651 0.000 -5.847) 8.131 3.077 ( -4.784 0.000 -13.305) 14.139 3.145 ( -1.897 0.000 1.533) 2.439 3.455 ( -1.497 0.000 8.422) 8.554 3.524 ( -7.370 0.000 15.273) 16.959 3.548 ( 7.200 0.000 -3.917) 8.197 3.586 ( 6.192 0.000 3.202) 6.971 3.681 ( -16.660 0.000 3.545) 17.033 3.893 ( -4.418 0.000 -6.036) 7.480 3.896 ( -2.065 0.000 -0.869) 2.240 3.926 ( -11.182 0.000 -3.314) 11.663 4.073 ( 7.410 0.000 5.732) 9.368 4.278 ( -3.944 0.000 -0.096) 3.945 4.395 ( -6.553 0.000 5.690) 8.678 4.425 ( -1.197 0.000 -10.971) 11.036 4.544 ( 14.128 0.000 6.328) 15.480 4.632 ( -2.714 0.000 0.036) 2.714 4.797 ( 9.826 0.000 -1.007) 9.878 4.896 ( 4.981 0.000 -7.293) 8.832 4.945 ( 2.804 0.000 -10.778) 11.137 5.097 ( 10.651 0.000 6.508) 12.482 5.113 ( -10.483 0.000 -4.395) 11.367 5.168 ( 0.216 0.000 4.950) 4.954 5.315 ( -16.193 0.000 -2.690) 16.415 5.394 ( -13.226 0.000 14.186) 19.395 5.463 ( 5.931 0.000 1.460) 6.108 5.487 ( 9.272 0.000 0.896) 9.315 5.564 ( -4.801 0.000 -1.665) 5.082 5.649 ( -3.928 0.000 6.255) 7.386 5.719 ( 3.587 0.000 12.124) 12.644 5.836 ( 7.612 0.000 -3.123) 8.227 5.878 ( 4.396 0.000 -0.439) 4.418 6.014 ( 9.277 0.000 -1.172) 9.351 6.055 ( -1.619 0.000 -8.949) 9.095 6.066 ( -8.900 0.000 -2.188) 9.165 6.155 ( 1.010 0.000 2.913) 3.083 6.258 ( 6.136 0.000 1.255) 6.263 6.295 ( 2.709 0.000 2.352) 3.588 6.370 ( 1.600 0.000 5.894) 6.108 6.384 ( -11.304 0.000 11.942) 16.444 6.539 ( 0.197 0.000 -3.429) 3.435 6.974 ( 7.475 0.000 -5.358) 9.197 7.074 ( 0.562 0.000 -11.961) 11.975 7.085 ( 5.375 0.000 -11.654) 12.834 7.200 ( 0.085 0.000 2.254) 2.256 7.364 ( 0.081 0.000 -6.976) 6.977 7.405 ( -4.458 0.000 0.004) 4.458 7.468 ( 10.589 0.000 -27.590) 29.552 7.632 ( -6.408 0.000 -0.907) 6.472 7.701 ( -6.544 0.000 0.283) 6.550 7.782 ( 5.751 0.000 -9.402) 11.021 7.881 ( 0.624 0.000 0.605) 0.869 7.918 ( -5.343 0.000 -1.755) 5.623 8.100 ( 3.203 0.000 6.182) 6.963 8.266 ( -2.760 0.000 -11.764) 12.084 8.345 ( 4.682 0.000 -0.520) 4.711 8.520 ( -2.302 0.000 3.454) 4.151 8.613 ( 1.583 0.000 8.996) 9.134 8.717 ( 3.307 0.000 0.541) 3.351 8.844 ( -2.619 0.000 -4.422) 5.140 8.865 ( 0.182 0.000 5.753) 5.756 9.053 ( -6.427 0.000 -15.088) 16.400 9.059 ( 8.874 0.000 0.050) 8.874 9.279 ( 1.011 0.000 -2.931) 3.101 9.302 ( -4.338 0.000 11.411) 12.208 9.728 ( -7.319 0.000 0.875) 7.371 9.835 ( 4.070 0.000 4.475) 6.049 9.922 ( -11.723 0.000 5.502) 12.950 9.974 ( -4.134 0.000 3.563) 5.458 10.057 ( 10.014 0.000 8.231) 12.963 10.271 ( 1.831 0.000 -6.435) 6.690 10.446 ( -4.461 0.000 26.890) 27.258 10.611 ( -9.289 0.000 -1.549) 9.417 10.672 ( -7.952 0.000 -0.241) 7.955 10.751 ( -3.146 0.000 -5.509) 6.344 10.803 ( 8.366 0.000 -6.473) 10.577 11.192 ( 5.606 0.000 8.513) 10.193 11.337 ( 8.878 0.000 -1.757) 9.050 11.407 ( 1.740 0.000 0.884) 1.952 11.513 ( -3.835 0.000 -1.239) 4.030 11.632 ( -1.126 0.000 6.228) 6.329 11.786 ( -8.095 0.000 -0.119) 8.096 12.039 ( 10.443 0.000 1.472) 10.546 12.192 ( 8.356 0.000 -2.437) 8.704 12.278 ( -11.412 0.000 -4.239) 12.174 12.566 ( 9.740 0.000 -5.251) 11.065 12.678 ( -0.867 0.000 -1.174) 1.459 12.735 ( -2.077 0.000 -5.202) 5.601 12.835 ( -6.209 0.000 -1.616) 6.416 12.937 ( 15.360 0.000 -6.760) 16.782 13.033 ( -6.636 0.000 -4.497) 8.016 13.129 ( 0.358 0.000 2.757) 2.780 13.377 ( 1.919 0.000 -3.235) 3.761 13.493 ( 4.593 0.000 7.807) 9.058 13.713 ( -3.824 0.000 11.187) 11.822 13.769 ( -3.801 0.000 -2.453) 4.524 13.961 ( 0.281 0.000 4.085) 4.095 15.525 ( 1.859 0.000 2.545) 3.152 15.636 ( -1.121 0.000 3.486) 3.662 15.701 ( 4.194 0.000 1.838) 4.579 15.846 ( -0.055 0.000 0.199) 0.206 15.960 ( -11.608 0.000 -1.399) 11.692 16.148 ( 13.046 0.000 4.702) 13.867 16.226 ( -5.890 0.000 -8.070) 9.991 16.511 ( 2.520 0.000 -5.012) 5.610 17.239 ( 0.586 0.000 2.317) 2.390 17.345 ( -3.152 0.000 3.972) 5.071 17.359 ( -17.747 0.000 1.329) 17.797 17.428 ( 15.742 0.000 3.057) 16.036 17.992 ( 1.224 0.000 4.042) 4.223 18.004 ( 3.695 0.000 -6.179) 7.199 18.098 ( -2.106 0.000 -9.161) 9.400 18.524 ( -0.457 0.000 -13.910) 13.918 18.907 ( -1.504 0.000 -4.888) 5.114 19.143 ( 1.070 0.000 -4.871) 4.988 19.335 ( 2.856 0.000 -0.497) 2.899 19.388 ( 3.685 0.000 7.984) 8.793 19.431 ( -4.047 0.000 10.977) 11.699 19.660 ( 4.993 0.000 0.581) 5.027 19.755 ( 3.071 0.000 -15.641) 15.939 19.788 ( -3.008 0.000 3.523) 4.633 20.390 ( -17.229 0.000 -9.865) 19.853 20.498 ( -8.967 0.000 -19.556) 21.514 21.007 ( 4.537 0.000 12.489) 13.288 21.054 ( 9.207 0.000 3.349) 9.797 21.188 ( 5.146 0.000 13.787) 14.716 21.403 ( -8.900 0.000 10.884) 14.060 21.587 ( 0.136 0.000 4.699) 4.701 21.718 ( -3.279 0.000 5.655) 6.537 22.020 ( 1.918 0.000 4.788) 5.157 22.124 ( -2.450 0.000 6.113) 6.585 22.144 ( -3.316 0.000 -0.277) 3.328 22.274 ( 4.440 0.000 1.882) 4.822 22.616 ( 1.450 0.000 0.031) 1.450 22.652 ( -0.324 0.000 1.574) 1.607 22.679 ( -0.261 0.000 2.957) 2.969 22.731 ( -0.929 0.000 4.155) 4.257 23.071 ( 1.727 0.000 -6.500) 6.726 23.140 ( 1.340 0.000 -4.122) 4.334 23.414 ( -5.049 0.000 2.879) 5.813 23.441 ( -6.039 0.000 1.473) 6.216 23.496 ( 3.177 0.000 1.022) 3.338 23.856 ( 5.133 0.000 -7.500) 9.089 23.979 ( 0.934 0.000 -1.373) 1.661 24.108 ( -0.065 0.000 -5.402) 5.403 24.339 ( 2.427 0.000 3.852) 4.553 24.349 ( 8.389 0.000 -2.339) 8.709 24.449 ( -1.518 0.000 -2.601) 3.012 24.456 ( -8.316 0.000 2.071) 8.570 24.895 ( 1.838 0.000 -3.497) 3.950 24.939 ( 0.153 0.000 -3.523) 3.526 25.211 ( 0.473 0.000 4.882) 4.905 25.236 ( -1.214 0.000 3.487) 3.692 25.396 ( 0.241 0.000 -2.075) 2.089 25.417 ( 1.388 0.000 0.633) 1.526 25.532 ( -0.982 0.000 -3.963) 4.083 25.639 ( -0.014 0.000 -5.598) 5.598 26.124 ( 1.536 0.000 6.435) 6.615 26.371 ( -2.368 0.000 8.403) 8.730 26.621 ( -4.128 0.000 -6.148) 7.406 26.875 ( 5.804 0.000 -5.099) 7.725 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -26.148 0.000 7.476) 27.196 1.488 ( -32.074 0.000 1.815) 32.126 2.410 ( -14.745 0.000 8.411) 16.976 2.451 ( 3.474 0.000 8.624) 9.298 2.563 ( -6.380 0.000 11.887) 13.491 2.805 ( -0.327 0.000 1.730) 1.761 2.831 ( -17.690 0.000 -5.155) 18.426 2.972 ( -4.628 0.000 1.779) 4.959 3.080 ( 3.149 0.000 9.592) 10.096 3.108 ( -0.210 0.000 -10.184) 10.186 3.186 ( -11.323 0.000 -6.247) 12.932 3.405 ( -3.619 0.000 12.014) 12.547 3.433 ( 2.005 0.000 3.787) 4.285 3.649 ( -8.293 0.000 -11.204) 13.939 3.756 ( 6.572 0.000 3.894) 7.639 3.811 ( 5.562 0.000 -4.930) 7.433 3.880 ( 5.509 0.000 5.717) 7.940 3.944 ( 6.045 0.000 1.892) 6.334 4.250 ( 5.465 0.000 4.946) 7.371 4.269 ( 4.276 0.000 -2.269) 4.841 4.347 ( -5.028 0.000 -1.349) 5.205 4.374 ( 3.445 0.000 7.319) 8.089 4.588 ( -1.385 0.000 -5.685) 5.852 4.653 ( -5.624 0.000 -1.595) 5.846 4.795 ( -5.223 0.000 0.924) 5.304 4.923 ( -8.677 0.000 -4.526) 9.786 4.994 ( 8.755 0.000 -14.842) 17.232 5.023 ( -8.659 0.000 6.666) 10.928 5.108 ( -5.777 0.000 -3.467) 6.737 5.136 ( 4.900 0.000 -1.798) 5.220 5.279 ( 9.432 0.000 -2.659) 9.799 5.403 ( -3.188 0.000 0.257) 3.199 5.411 ( 7.050 0.000 9.229) 11.613 5.481 ( -2.423 0.000 -0.871) 2.575 5.597 ( -2.457 0.000 3.753) 4.486 5.693 ( 9.355 0.000 -4.358) 10.320 5.795 ( 2.223 0.000 15.324) 15.484 5.818 ( 1.233 0.000 -6.181) 6.303 5.988 ( -2.075 0.000 -2.750) 3.445 6.053 ( 7.771 0.000 -0.545) 7.790 6.095 ( -5.702 0.000 7.721) 9.598 6.185 ( 1.868 0.000 -5.369) 5.685 6.193 ( 12.783 0.000 5.679) 13.987 6.270 ( -1.733 0.000 1.600) 2.359 6.304 ( -0.290 0.000 2.641) 2.657 6.435 ( 8.379 0.000 -0.256) 8.383 6.620 ( 6.144 0.000 -2.520) 6.640 6.702 ( 25.237 0.000 17.075) 30.471 7.030 ( -3.641 0.000 -10.641) 11.247 7.138 ( 1.316 0.000 -9.964) 10.050 7.170 ( 11.937 0.000 -10.749) 16.063 7.260 ( 0.903 0.000 -2.399) 2.564 7.391 ( 9.969 0.000 -2.934) 10.391 7.421 ( 7.020 0.000 -4.201) 8.181 7.481 ( -6.357 0.000 1.532) 6.539 7.593 ( -1.729 0.000 -0.427) 1.781 7.668 ( -0.145 0.000 -19.999) 19.999 7.796 ( 9.640 0.000 -5.638) 11.168 7.924 ( 3.912 0.000 -0.553) 3.951 7.933 ( 3.679 0.000 -1.814) 4.102 8.134 ( -2.589 0.000 7.102) 7.559 8.251 ( 4.123 0.000 -15.993) 16.516 8.412 ( 1.148 0.000 -1.462) 1.859 8.476 ( -1.003 0.000 -0.737) 1.245 8.648 ( -3.247 0.000 3.563) 4.821 8.729 ( -7.135 0.000 2.589) 7.590 8.739 ( -6.159 0.000 -5.229) 8.080 8.847 ( -0.057 0.000 -6.844) 6.844 8.968 ( 5.426 0.000 5.811) 7.950 9.074 ( -8.412 0.000 7.388) 11.196 9.249 ( -3.308 0.000 2.231) 3.990 9.362 ( 7.559 0.000 4.220) 8.658 9.560 ( -9.741 0.000 -1.610) 9.873 9.642 ( -12.595 0.000 3.587) 13.096 9.830 ( -2.639 0.000 10.347) 10.678 9.907 ( -1.654 0.000 -1.058) 1.964 10.151 ( -12.746 0.000 8.345) 15.235 10.182 ( -12.727 0.000 -5.135) 13.724 10.362 ( -1.913 0.000 -4.108) 4.531 10.438 ( 6.348 0.000 8.536) 10.638 10.533 ( -4.034 0.000 12.388) 13.028 10.729 ( -2.819 0.000 0.745) 2.916 11.080 ( 14.605 0.000 -6.367) 15.932 11.207 ( -5.418 0.000 -0.357) 5.429 11.378 ( -3.748 0.000 2.760) 4.654 11.389 ( -5.162 0.000 8.237) 9.721 11.465 ( 0.259 0.000 -6.361) 6.367 11.575 ( -4.326 0.000 7.407) 8.578 11.800 ( 8.940 0.000 -4.101) 9.835 11.946 ( -18.416 0.000 -1.869) 18.511 12.276 ( 0.245 0.000 -3.006) 3.016 12.297 ( 11.373 0.000 0.450) 11.382 12.637 ( 0.308 0.000 -3.565) 3.579 12.639 ( -2.679 0.000 -3.016) 4.034 12.714 ( 3.026 0.000 -1.708) 3.474 12.783 ( 0.083 0.000 -7.299) 7.299 12.926 ( -2.660 0.000 -2.940) 3.965 13.159 ( 1.867 0.000 5.951) 6.237 13.293 ( 16.422 0.000 -5.340) 17.268 13.410 ( 1.863 0.000 0.995) 2.112 13.502 ( -3.883 0.000 0.641) 3.935 13.626 ( -8.118 0.000 -5.535) 9.825 13.746 ( 4.757 0.000 15.327) 16.048 13.928 ( -5.074 0.000 5.182) 7.252 15.545 ( -5.719 0.000 2.088) 6.089 15.559 ( 0.556 0.000 3.801) 3.842 15.695 ( -9.069 0.000 -1.468) 9.187 15.843 ( 5.904 0.000 4.756) 7.581 15.898 ( 3.205 0.000 2.761) 4.231 16.091 ( -4.478 0.000 -9.148) 10.185 16.454 ( 12.249 0.000 1.477) 12.337 16.569 ( 3.244 0.000 -9.655) 10.185 17.036 ( -12.869 0.000 6.276) 14.318 17.196 ( -4.767 0.000 3.080) 5.676 17.262 ( -4.422 0.000 4.746) 6.487 17.735 ( 11.430 0.000 -3.322) 11.903 17.876 ( -5.878 0.000 -1.677) 6.113 18.098 ( 6.991 0.000 -1.874) 7.238 18.255 ( 11.382 0.000 -5.514) 12.647 18.458 ( -2.582 0.000 -12.962) 13.217 18.915 ( 1.955 0.000 -6.271) 6.569 19.166 ( 1.721 0.000 -5.939) 6.184 19.362 ( -4.393 0.000 10.531) 11.410 19.436 ( 5.909 0.000 1.302) 6.051 19.460 ( 1.217 0.000 9.758) 9.833 19.692 ( -1.600 0.000 0.317) 1.631 19.787 ( -0.326 0.000 -13.805) 13.809 19.808 ( 2.350 0.000 2.906) 3.737 20.015 ( -11.262 0.000 -15.390) 19.070 20.359 ( -0.300 0.000 -10.022) 10.027 21.107 ( -4.290 0.000 20.879) 21.315 21.150 ( -4.309 0.000 1.259) 4.490 21.215 ( -1.833 0.000 3.711) 4.139 21.389 ( 7.789 0.000 11.015) 13.491 21.406 ( -4.168 0.000 -3.186) 5.246 21.867 ( 5.968 0.000 6.354) 8.718 22.002 ( -1.906 0.000 7.074) 7.326 22.091 ( -1.472 0.000 -2.384) 2.802 22.184 ( 4.919 0.000 6.399) 8.071 22.386 ( 5.811 0.000 4.669) 7.454 22.644 ( -0.501 0.000 1.677) 1.751 22.647 ( 1.122 0.000 0.104) 1.127 22.690 ( 0.788 0.000 4.680) 4.745 22.727 ( -0.178 0.000 3.502) 3.507 23.078 ( 0.042 0.000 -5.943) 5.943 23.175 ( 2.304 0.000 -2.709) 3.556 23.293 ( -6.039 0.000 -1.089) 6.137 23.308 ( -4.618 0.000 -0.220) 4.623 23.558 ( 1.547 0.000 1.906) 2.455 23.916 ( 0.364 0.000 -1.655) 1.695 24.098 ( 0.654 0.000 -6.252) 6.287 24.110 ( 10.396 0.000 -1.605) 10.519 24.281 ( -8.170 0.000 2.519) 8.549 24.395 ( 3.972 0.000 -0.577) 4.013 24.513 ( 6.505 0.000 1.589) 6.696 24.515 ( 7.412 0.000 -2.103) 7.705 24.933 ( 0.110 0.000 -5.855) 5.856 24.938 ( 2.863 0.000 -2.711) 3.943 25.212 ( -1.188 0.000 6.025) 6.141 25.230 ( 0.126 0.000 3.688) 3.690 25.418 ( -1.256 0.000 1.311) 1.816 25.432 ( 3.427 0.000 -2.237) 4.092 25.486 ( -2.365 0.000 -4.469) 5.056 25.612 ( -1.335 0.000 -4.807) 4.989 26.112 ( -3.878 0.000 7.733) 8.651 26.268 ( -8.219 0.000 7.324) 11.009 26.406 ( -11.721 0.000 -5.482) 12.940 27.038 ( 7.107 0.000 -7.711) 10.486 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -22.654 0.000 23.601) 32.714 0.902 ( -25.131 0.000 19.754) 31.965 1.748 ( -37.370 0.000 42.944) 56.928 2.276 ( -10.350 0.000 2.575) 10.665 2.618 ( -5.286 0.000 -9.689) 11.037 2.657 ( 2.739 0.000 14.945) 15.194 2.774 ( -1.306 0.000 12.643) 12.710 2.882 ( 0.345 0.000 -9.203) 9.209 2.950 ( -8.259 0.000 0.157) 8.260 3.059 ( -3.141 0.000 -3.601) 4.778 3.230 ( 1.216 0.000 1.731) 2.115 3.422 ( 5.175 0.000 -0.933) 5.258 3.446 ( -8.696 0.000 -8.402) 12.092 3.550 ( 3.488 0.000 7.080) 7.892 3.756 ( -4.780 0.000 3.239) 5.775 3.819 ( -0.214 0.000 -0.232) 0.316 4.061 ( 2.748 0.000 -3.174) 4.199 4.121 ( -8.656 0.000 -3.754) 9.435 4.148 ( 6.517 0.000 1.457) 6.678 4.264 ( -2.549 0.000 -3.018) 3.950 4.308 ( -6.792 0.000 1.972) 7.072 4.487 ( 12.660 0.000 -6.370) 14.173 4.545 ( 1.469 0.000 -9.377) 9.491 4.652 ( 4.187 0.000 4.031) 5.812 4.736 ( -3.740 0.000 8.594) 9.373 4.835 ( -3.573 0.000 0.145) 3.576 4.915 ( 2.032 0.000 -8.138) 8.388 5.069 ( 3.349 0.000 3.366) 4.748 5.078 ( 2.522 0.000 -11.450) 11.724 5.168 ( 2.031 0.000 -3.546) 4.087 5.335 ( -7.116 0.000 -0.357) 7.125 5.385 ( 5.778 0.000 7.134) 9.180 5.496 ( -2.736 0.000 -1.306) 3.032 5.614 ( 11.575 0.000 -8.911) 14.607 5.631 ( 5.488 0.000 -2.398) 5.990 5.819 ( -0.174 0.000 5.103) 5.106 5.857 ( 0.368 0.000 -15.891) 15.896 5.924 ( -6.087 0.000 7.111) 9.360 5.925 ( -0.564 0.000 1.904) 1.986 5.988 ( 5.595 0.000 17.578) 18.447 6.038 ( -2.038 0.000 -10.430) 10.628 6.217 ( -1.025 0.000 -6.934) 7.010 6.221 ( -1.797 0.000 2.429) 3.022 6.349 ( 6.323 0.000 11.279) 12.931 6.549 ( 12.216 0.000 9.755) 15.633 6.626 ( 11.940 0.000 -3.938) 12.572 6.652 ( -1.721 0.000 -3.340) 3.757 6.845 ( -12.083 0.000 2.648) 12.370 7.153 ( 4.269 0.000 -15.145) 15.735 7.251 ( 17.214 0.000 11.846) 20.896 7.280 ( 1.066 0.000 -1.384) 1.747 7.328 ( -2.734 0.000 -2.681) 3.829 7.482 ( -6.119 0.000 -6.514) 8.938 7.498 ( 16.085 0.000 -9.084) 18.473 7.601 ( 8.669 0.000 -6.640) 10.920 7.708 ( 14.751 0.000 -5.283) 15.669 7.761 ( 19.456 0.000 5.081) 20.109 7.961 ( -0.183 0.000 -2.646) 2.653 7.995 ( -3.116 0.000 3.966) 5.044 8.055 ( 0.651 0.000 3.356) 3.419 8.098 ( 10.350 0.000 -6.757) 12.360 8.333 ( 2.963 0.000 -19.191) 19.419 8.391 ( -1.703 0.000 -4.925) 5.211 8.428 ( -7.559 0.000 -8.689) 11.517 8.477 ( 0.611 0.000 -1.307) 1.443 8.569 ( -7.105 0.000 -8.988) 11.457 8.576 ( -8.356 0.000 1.013) 8.417 8.830 ( -13.782 0.000 1.601) 13.874 8.931 ( -2.195 0.000 3.246) 3.919 9.093 ( 6.910 0.000 11.858) 13.725 9.155 ( -2.229 0.000 14.283) 14.456 9.354 ( -8.290 0.000 14.391) 16.608 9.418 ( -3.937 0.000 3.582) 5.323 9.479 ( -8.343 0.000 -3.652) 9.108 9.790 ( -0.214 0.000 14.374) 14.376 9.856 ( -5.054 0.000 -5.186) 7.242 9.964 ( -1.137 0.000 -2.780) 3.003 10.093 ( 9.059 0.000 -4.357) 10.053 10.310 ( -4.683 0.000 -1.805) 5.019 10.427 ( -3.474 0.000 8.552) 9.231 10.490 ( -7.155 0.000 12.113) 14.069 10.678 ( -0.911 0.000 -0.316) 0.965 11.105 ( -2.379 0.000 3.225) 4.008 11.208 ( -12.726 0.000 13.472) 18.532 11.275 ( -5.870 0.000 4.866) 7.625 11.356 ( 3.844 0.000 -7.105) 8.078 11.410 ( -10.027 0.000 -1.055) 10.083 11.495 ( 3.974 0.000 -7.194) 8.219 11.593 ( -6.657 0.000 3.330) 7.443 12.025 ( 9.666 0.000 -8.505) 12.875 12.256 ( -0.039 0.000 -7.295) 7.295 12.441 ( 0.108 0.000 -3.592) 3.594 12.608 ( -0.000 0.000 -11.714) 11.714 12.626 ( 0.316 0.000 -0.325) 0.453 12.772 ( 0.678 0.000 -9.495) 9.519 12.828 ( 3.451 0.000 2.688) 4.374 12.895 ( 2.871 0.000 4.614) 5.434 13.179 ( -3.419 0.000 8.747) 9.391 13.336 ( -7.869 0.000 -3.450) 8.592 13.437 ( 0.025 0.000 -6.047) 6.047 13.485 ( -1.960 0.000 -0.454) 2.012 13.631 ( 11.899 0.000 0.354) 11.904 13.780 ( -7.629 0.000 0.060) 7.629 13.881 ( 1.934 0.000 8.109) 8.336 15.416 ( -5.761 0.000 -0.623) 5.795 15.546 ( -2.340 0.000 1.513) 2.786 15.595 ( -0.722 0.000 1.801) 1.941 15.930 ( 0.445 0.000 5.513) 5.531 15.977 ( 2.808 0.000 3.473) 4.466 16.040 ( 2.625 0.000 -8.379) 8.781 16.599 ( 1.928 0.000 -10.766) 10.937 16.642 ( 6.502 0.000 -2.984) 7.154 16.858 ( -4.844 0.000 11.902) 12.850 17.038 ( -9.560 0.000 -1.161) 9.631 17.242 ( 0.437 0.000 13.920) 13.927 17.781 ( -2.415 0.000 -5.508) 6.014 17.851 ( 0.894 0.000 -5.031) 5.110 18.298 ( 10.342 0.000 -6.424) 12.175 18.395 ( -0.883 0.000 -11.070) 11.105 18.482 ( 9.860 0.000 -3.827) 10.576 18.882 ( -5.936 0.000 -6.984) 9.166 19.187 ( 1.433 0.000 -7.403) 7.540 19.307 ( 0.563 0.000 11.408) 11.422 19.439 ( -4.554 0.000 4.298) 6.261 19.542 ( 2.635 0.000 -0.681) 2.721 19.649 ( -2.437 0.000 3.358) 4.150 19.670 ( -0.232 0.000 0.577) 0.622 19.809 ( -1.015 0.000 -1.997) 2.240 20.062 ( 13.007 0.000 -5.227) 14.018 20.431 ( 5.087 0.000 3.525) 6.189 20.873 ( -14.543 0.000 8.767) 16.981 20.954 ( -8.726 0.000 1.716) 8.893 21.317 ( 4.744 0.000 5.132) 6.989 21.410 ( 1.261 0.000 -9.670) 9.752 21.546 ( 3.719 0.000 16.175) 16.597 21.898 ( -1.498 0.000 4.055) 4.323 22.046 ( 2.700 0.000 7.642) 8.105 22.076 ( 0.531 0.000 -2.732) 2.783 22.289 ( 2.991 0.000 8.032) 8.571 22.550 ( 8.136 0.000 4.766) 9.429 22.657 ( 3.132 0.000 4.674) 5.626 22.658 ( -0.048 0.000 0.295) 0.299 22.724 ( 0.988 0.000 6.289) 6.366 22.734 ( 0.502 0.000 3.533) 3.568 23.050 ( -1.882 0.000 -1.721) 2.551 23.171 ( -2.438 0.000 -1.687) 2.965 23.237 ( -1.718 0.000 -4.616) 4.926 23.249 ( 2.010 0.000 -1.497) 2.506 23.595 ( 2.380 0.000 1.021) 2.590 23.866 ( -4.062 0.000 -0.079) 4.063 24.101 ( -7.620 0.000 2.687) 8.080 24.119 ( 1.975 0.000 -4.783) 5.175 24.373 ( 11.750 0.000 -0.757) 11.775 24.524 ( 8.253 0.000 -2.779) 8.708 24.630 ( 2.696 0.000 0.031) 2.696 24.691 ( 9.066 0.000 1.285) 9.156 24.924 ( 0.774 0.000 -11.714) 11.739 25.008 ( 3.856 0.000 -2.774) 4.750 25.189 ( -2.370 0.000 7.655) 8.013 25.269 ( 4.067 0.000 6.187) 7.404 25.388 ( -0.849 0.000 3.234) 3.344 25.446 ( 0.041 0.000 -2.073) 2.073 25.524 ( 5.370 0.000 -3.691) 6.516 25.587 ( 0.496 0.000 -3.429) 3.464 26.005 ( -6.631 0.000 7.244) 9.820 26.073 ( -11.234 0.000 8.832) 14.290 26.171 ( -8.671 0.000 -3.987) 9.544 27.046 ( -7.635 0.000 -18.274) 19.805 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.376 14.209 31.082) 34.204 1.169 ( 5.282 32.229 24.412) 40.775 1.704 ( 6.345 17.060 50.401) 53.587 2.096 ( -1.995 -3.261 2.080) 4.352 2.446 ( -5.930 -5.535 1.716) 8.291 2.581 ( 6.056 -3.752 -3.310) 7.856 2.725 ( -8.670 -0.154 7.539) 11.490 2.797 ( -5.624 -5.302 7.972) 11.104 3.014 ( -1.261 11.451 2.189) 11.726 3.086 ( -2.418 5.254 -9.537) 11.153 3.153 ( -6.393 -2.797 2.104) 7.288 3.225 ( 3.655 9.360 -8.287) 13.025 3.481 ( 2.409 -4.268 -2.410) 5.461 3.528 ( 1.416 -1.501 1.674) 2.657 3.741 ( 2.178 2.328 4.119) 5.208 3.798 ( 2.977 3.831 4.964) 6.941 3.878 ( -1.557 -8.849 -3.996) 9.833 4.045 ( -2.768 1.810 0.143) 3.311 4.200 ( 1.591 3.671 2.327) 4.629 4.278 ( -5.165 -2.079 -3.954) 6.829 4.442 ( 1.777 0.560 0.742) 2.006 4.521 ( -0.878 2.478 -4.197) 4.952 4.567 ( 3.423 -2.280 0.710) 4.174 4.664 ( 3.516 -2.301 -3.106) 5.226 4.718 ( 4.800 3.477 -15.781) 16.858 4.816 ( -3.643 -1.166 -1.243) 4.022 4.961 ( 1.632 4.955 -7.214) 8.903 5.111 ( 3.611 -6.537 8.285) 11.154 5.168 ( -3.470 2.063 -1.550) 4.324 5.244 ( 7.097 -10.506 -15.588) 20.093 5.281 ( 1.448 6.990 -6.745) 9.821 5.355 ( -2.061 -1.636 -0.554) 2.689 5.434 ( -5.937 2.041 -0.670) 6.314 5.536 ( 0.726 8.062 3.790) 8.938 5.668 ( -4.431 0.274 -1.063) 4.565 5.760 ( -7.199 1.244 1.036) 7.379 5.791 ( -1.783 -7.250 3.267) 8.150 5.844 ( -4.698 1.254 5.120) 7.061 5.990 ( -2.754 3.641 -9.839) 10.846 6.044 ( -1.890 1.972 -1.102) 2.946 6.134 ( 0.812 -0.339 7.080) 7.134 6.221 ( -3.754 0.426 14.629) 15.109 6.334 ( 2.427 -1.219 2.648) 3.793 6.486 ( 5.314 4.296 -10.504) 12.531 6.500 ( -2.213 -5.429 10.111) 11.688 6.656 ( 3.916 -0.554 0.745) 4.025 6.810 ( 1.628 0.302 4.360) 4.664 6.854 ( 5.542 5.786 -13.242) 15.477 7.100 ( -2.079 -11.487 -1.218) 11.737 7.207 ( -4.019 -5.028 -2.775) 7.009 7.280 ( 0.901 -2.469 5.834) 6.399 7.396 ( -0.448 2.662 -11.124) 11.447 7.435 ( 2.868 -5.467 4.385) 7.572 7.573 ( 3.590 -6.918 -5.393) 9.478 7.735 ( -0.046 -10.986 5.445) 12.262 7.784 ( -2.564 -10.349 4.213) 11.464 7.851 ( -2.351 -6.792 -13.535) 15.325 7.954 ( 3.730 -8.454 1.784) 9.411 8.027 ( 2.049 -0.077 -2.974) 3.612 8.071 ( -10.378 2.680 -14.691) 18.186 8.105 ( -1.593 -1.104 -7.731) 7.971 8.233 ( 2.776 -3.645 0.619) 4.623 8.283 ( 2.533 -6.135 -3.056) 7.307 8.374 ( -5.413 4.301 -9.488) 11.739 8.459 ( 2.937 -5.488 2.507) 6.710 8.499 ( 7.359 -5.333 -8.979) 12.776 8.545 ( 6.526 2.572 0.921) 7.075 8.689 ( 2.977 -0.979 4.520) 5.500 8.870 ( -3.324 -1.218 4.946) 6.082 9.005 ( -4.502 -5.917 6.102) 9.618 9.080 ( 0.829 -10.266 2.680) 10.642 9.223 ( -5.973 1.996 -1.299) 6.431 9.394 ( -4.571 5.278 5.545) 8.916 9.549 ( 7.305 3.091 13.062) 15.282 9.766 ( 0.240 -7.314 -5.182) 8.967 9.915 ( 6.816 -0.843 -3.973) 7.935 9.944 ( 5.469 2.707 -1.049) 6.191 10.225 ( -0.996 -0.716 13.207) 13.264 10.320 ( 8.455 -0.415 -4.118) 9.413 10.500 ( 1.416 17.775 6.402) 18.946 10.628 ( 4.896 6.282 2.114) 8.240 10.716 ( 0.006 5.246 2.423) 5.779 10.910 ( -3.751 0.973 9.642) 10.391 11.045 ( -9.937 -0.277 15.530) 18.439 11.179 ( -9.776 5.489 3.274) 11.680 11.228 ( 7.129 3.017 1.539) 7.893 11.421 ( 0.958 2.406 -3.131) 4.063 11.560 ( -4.861 0.059 -6.627) 8.219 11.710 ( -1.416 -0.215 -4.842) 5.050 12.023 ( -3.102 2.727 -3.532) 5.434 12.162 ( -0.067 -8.311 -5.875) 10.178 12.299 ( -3.617 -12.536 0.656) 13.063 12.517 ( -2.926 6.411 -1.742) 7.259 12.545 ( 0.197 -8.744 -4.528) 9.849 12.743 ( -4.832 0.470 3.483) 5.975 12.966 ( 5.618 9.770 -6.281) 12.903 13.005 ( 6.038 -0.189 6.154) 8.623 13.104 ( -2.438 3.707 4.788) 6.527 13.181 ( -5.813 -0.106 2.330) 6.263 13.395 ( 2.815 -5.336 -3.757) 7.107 13.465 ( 0.841 4.322 -1.881) 4.788 13.609 ( -5.308 -1.797 4.992) 7.505 13.698 ( -8.441 3.175 -6.299) 11.001 13.824 ( 7.384 -3.031 -0.130) 7.983 15.423 ( 0.750 3.770 1.723) 4.212 15.524 ( -1.455 0.252 -0.814) 1.686 15.611 ( -0.211 1.293 2.435) 2.765 15.780 ( -0.448 -8.999 -0.311) 9.015 16.032 ( 0.007 6.171 4.146) 7.435 16.347 ( 3.305 14.894 -5.422) 16.191 16.604 ( 5.966 -3.453 -4.367) 8.160 16.750 ( -2.127 2.931 -8.384) 9.133 16.869 ( -6.479 -1.884 5.159) 8.494 16.986 ( 4.154 8.206 10.540) 13.989 17.148 ( 1.383 -10.292 8.818) 13.623 17.648 ( -1.432 -5.400 -7.323) 9.211 18.071 ( -0.865 15.384 -8.135) 17.424 18.327 ( 2.279 -4.380 -2.334) 5.461 18.446 ( -0.614 7.898 -10.390) 13.066 18.833 ( 1.557 13.334 -9.841) 16.645 18.905 ( 5.919 3.889 4.658) 8.477 19.111 ( 1.296 -14.612 6.464) 16.030 19.238 ( 1.787 -6.037 4.551) 7.768 19.301 ( -2.738 1.540 -6.090) 6.852 19.560 ( -1.448 2.500 -5.003) 5.777 19.650 ( -3.120 7.329 0.637) 7.991 19.818 ( 2.387 2.774 -3.078) 4.782 20.072 ( 1.927 10.049 -12.440) 16.108 20.428 ( 2.298 -6.814 5.901) 9.302 20.539 ( -8.053 -5.254 5.766) 11.211 20.762 ( 18.962 4.942 0.693) 19.608 20.903 ( 6.167 0.996 6.378) 8.928 21.201 ( -1.598 -10.478 -5.367) 11.881 21.412 ( -2.673 -0.343 -8.005) 8.447 21.545 ( -0.791 -4.116 25.195) 25.541 21.919 ( -0.248 2.900 2.560) 3.876 22.099 ( 1.364 0.416 1.361) 1.972 22.129 ( -0.219 1.837 3.285) 3.770 22.318 ( -0.284 -0.950 6.171) 6.250 22.450 ( -2.377 -8.656 6.851) 11.292 22.614 ( -0.626 -0.645 0.879) 1.257 22.693 ( 0.247 0.190 4.235) 4.247 22.778 ( -1.886 2.686 5.014) 5.992 22.934 ( 7.332 -1.497 -0.041) 7.483 22.954 ( -3.197 -3.580 0.088) 4.800 23.001 ( -3.838 -2.727 2.705) 5.430 23.312 ( 1.323 3.262 -0.389) 3.541 23.531 ( 4.854 8.244 -9.669) 13.602 23.718 ( 4.134 6.711 -2.954) 8.418 23.811 ( -0.370 2.262 -2.120) 3.122 23.971 ( -4.148 -0.213 1.676) 4.479 24.161 ( 1.968 0.522 -2.262) 3.044 24.382 ( -6.191 -8.009 8.080) 12.952 24.550 ( -1.204 -6.603 -3.030) 7.365 24.607 ( 0.635 -3.790 -3.667) 5.312 24.805 ( -0.284 0.537 -8.406) 8.428 24.909 ( 1.822 -2.115 -9.170) 9.586 25.009 ( -2.690 -0.456 -5.452) 6.096 25.129 ( -1.270 -4.657 3.664) 6.060 25.281 ( 4.399 -4.798 4.663) 8.007 25.341 ( -6.350 2.307 0.007) 6.756 25.495 ( -3.899 2.748 1.606) 5.033 25.647 ( 5.400 1.515 -1.507) 5.807 25.735 ( -2.745 8.175 -4.595) 9.771 25.840 ( -10.072 -1.162 10.495) 14.592 25.912 ( 5.360 -1.858 8.744) 10.423 26.111 ( 3.117 -0.847 -2.221) 3.920 26.662 ( 0.009 -3.247 -10.638) 11.123 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 19.796 -0.036 22.936) 30.298 1.537 ( 22.551 23.431 18.022) 37.180 2.000 ( 8.423 -8.472 12.143) 17.035 2.309 ( -4.156 -5.749 -0.205) 7.097 2.313 ( 10.028 1.491 24.728) 26.726 2.619 ( 2.583 10.286 -2.750) 10.956 2.676 ( 1.151 -3.901 6.458) 7.632 2.702 ( 0.637 0.936 -0.450) 1.218 2.950 ( 4.167 9.555 -14.038) 17.485 3.176 ( 6.236 -0.449 10.829) 12.504 3.213 ( 8.962 3.784 1.140) 9.794 3.351 ( 6.744 2.465 -3.085) 7.815 3.512 ( 0.447 -1.236 -0.380) 1.368 3.577 ( -2.128 3.679 5.517) 6.964 3.779 ( 2.012 -11.190 -2.788) 11.706 3.791 ( -3.206 -0.055 -0.318) 3.223 3.921 ( 4.535 8.820 6.189) 11.691 4.034 ( 1.123 -0.777 -1.273) 1.867 4.122 ( -8.690 -3.697 0.025) 9.444 4.275 ( 4.952 2.581 -0.346) 5.595 4.372 ( -6.056 -11.167 5.520) 13.851 4.471 ( -2.364 8.613 -12.420) 15.298 4.588 ( 2.102 3.282 -3.508) 5.244 4.655 ( -6.886 -0.472 -3.176) 7.598 4.798 ( 6.954 -0.311 -3.625) 7.848 4.853 ( 4.279 -1.341 -5.776) 7.312 4.905 ( -4.158 14.866 4.013) 15.949 5.111 ( 1.342 1.985 -4.592) 5.179 5.154 ( -1.464 -2.891 0.087) 3.242 5.203 ( -3.431 -5.518 2.588) 6.994 5.276 ( -0.999 -1.298 -6.497) 6.701 5.340 ( 2.830 1.944 -0.999) 3.575 5.487 ( 0.775 -5.451 1.882) 5.818 5.584 ( 2.419 0.207 1.653) 2.937 5.631 ( -0.078 -5.195 -5.616) 7.650 5.671 ( 2.161 -0.006 -7.044) 7.368 5.706 ( -5.211 -0.904 5.465) 7.605 5.855 ( 0.937 -1.552 3.515) 3.955 5.907 ( -3.106 8.964 -2.288) 9.759 5.931 ( -6.445 -1.013 2.912) 7.145 6.063 ( -5.413 -0.430 8.445) 10.040 6.213 ( -0.874 5.004 1.320) 5.248 6.370 ( 2.659 0.421 -1.355) 3.013 6.409 ( -5.189 0.852 -1.929) 5.601 6.567 ( -1.269 1.400 -1.312) 2.301 6.693 ( -2.873 -9.032 8.133) 12.490 6.712 ( -9.804 1.098 -3.059) 10.328 6.914 ( -11.269 -1.957 -3.651) 12.006 6.928 ( -0.277 1.456 3.901) 4.173 7.151 ( -7.389 0.645 -8.955) 11.627 7.186 ( -7.260 -0.801 3.242) 7.991 7.330 ( -3.300 5.122 -7.519) 9.678 7.441 ( 0.596 -6.774 5.056) 8.474 7.570 ( -5.061 -9.220 0.979) 10.563 7.596 ( -3.839 -7.203 -14.224) 16.399 7.682 ( -4.912 -6.126 -8.072) 11.261 7.746 ( -5.387 -9.591 -1.068) 11.052 7.812 ( -7.167 5.932 -3.522) 9.948 7.906 ( -2.965 -1.657 -6.238) 7.103 8.021 ( -3.504 -6.459 -8.139) 10.965 8.106 ( -7.686 -5.773 1.749) 9.770 8.195 ( 3.117 5.795 3.102) 7.274 8.297 ( 1.076 -0.801 -7.476) 7.596 8.450 ( 0.892 -2.995 1.096) 3.312 8.520 ( 7.991 -5.627 -0.732) 9.801 8.618 ( 2.985 -7.475 5.540) 9.772 8.687 ( 7.983 -3.645 -4.163) 9.713 8.764 ( -4.191 -4.825 2.849) 6.997 8.863 ( 10.723 -0.773 0.661) 10.771 8.971 ( -0.410 -0.292 5.790) 5.812 9.114 ( 2.946 1.293 0.283) 3.230 9.179 ( 3.403 0.127 -6.760) 7.569 9.440 ( 1.854 -1.045 4.370) 4.861 9.692 ( 3.736 -21.337 -0.191) 21.663 9.911 ( -3.409 -2.374 4.095) 5.833 9.955 ( 13.859 -4.148 2.903) 14.755 10.133 ( 2.092 -4.384 -3.571) 6.029 10.188 ( 6.343 7.006 6.954) 11.734 10.412 ( -4.715 7.220 1.211) 8.708 10.573 ( 3.992 2.538 10.247) 11.286 10.660 ( -5.349 11.116 5.054) 13.331 10.777 ( 6.555 16.976 3.487) 18.529 10.979 ( 6.442 -3.625 6.922) 10.127 11.017 ( 6.452 1.566 4.733) 8.154 11.125 ( -0.596 1.662 5.202) 5.493 11.320 ( 2.230 -2.666 -5.383) 6.407 11.412 ( -6.595 4.900 -2.141) 8.491 11.466 ( 3.028 -4.895 0.466) 5.775 11.702 ( 11.108 3.665 -7.629) 13.965 11.957 ( -2.994 8.526 0.978) 9.090 12.206 ( -6.761 -10.914 4.459) 13.591 12.299 ( 10.589 -10.277 -5.588) 15.779 12.399 ( -5.437 3.974 -4.277) 7.978 12.548 ( -0.899 -5.580 -2.411) 6.145 12.690 ( -0.328 5.347 -0.618) 5.393 12.943 ( -5.201 3.637 -3.661) 7.326 13.052 ( -0.747 -3.239 5.732) 6.626 13.149 ( 0.433 2.252 1.954) 3.013 13.221 ( 7.895 6.010 -1.242) 9.999 13.405 ( -3.108 12.573 -6.446) 14.467 13.442 ( -1.162 1.029 -1.606) 2.234 13.561 ( 3.164 -7.176 4.495) 9.040 13.705 ( 5.855 0.598 0.440) 5.902 13.936 ( 2.960 -1.895 1.788) 3.943 15.451 ( 1.966 3.127 2.247) 4.323 15.490 ( -1.095 0.273 -0.895) 1.440 15.627 ( 2.055 0.302 2.614) 3.339 15.767 ( -0.398 -6.701 -0.648) 6.744 16.010 ( -2.520 7.558 2.776) 8.437 16.390 ( 1.441 13.177 -2.891) 13.567 16.549 ( -9.634 0.717 -9.097) 13.270 16.695 ( -4.534 0.421 -8.452) 9.600 16.831 ( 5.645 -5.562 10.140) 12.870 17.125 ( 5.954 5.339 10.225) 12.981 17.250 ( 5.783 -3.793 6.212) 9.296 17.658 ( 3.496 -5.741 -9.196) 11.391 18.023 ( -3.159 11.505 -6.163) 13.428 18.218 ( -9.986 3.779 2.906) 11.065 18.459 ( 2.572 3.369 -12.711) 13.399 18.736 ( -8.011 13.958 -10.987) 19.487 19.006 ( 0.855 -2.043 -4.587) 5.094 19.120 ( 0.440 -8.831 3.100) 9.369 19.244 ( -0.381 3.753 0.672) 3.832 19.353 ( 6.111 -11.546 2.134) 13.236 19.495 ( -3.284 4.675 -4.941) 7.554 19.595 ( -2.352 6.124 3.007) 7.217 19.868 ( 1.937 3.004 0.404) 3.598 19.985 ( -6.759 8.722 -10.104) 14.961 20.524 ( 5.918 -6.878 9.943) 13.461 20.532 ( 5.255 -2.901 5.143) 7.905 20.855 ( -4.694 -4.133 -7.423) 9.707 21.051 ( 3.191 -6.712 2.410) 7.813 21.195 ( -3.680 -8.185 1.987) 9.191 21.293 ( -4.091 0.566 -8.778) 9.702 21.549 ( -2.380 -2.748 22.813) 23.101 21.930 ( 0.823 2.175 3.228) 3.978 22.072 ( -5.896 -1.429 4.614) 7.622 22.131 ( 1.108 0.005 0.949) 1.459 22.294 ( -2.687 0.349 5.544) 6.171 22.360 ( -6.502 -4.277 8.089) 11.225 22.603 ( -0.433 -0.039 0.257) 0.505 22.701 ( -0.532 1.852 5.487) 5.815 22.741 ( -1.769 3.029 0.816) 3.601 22.828 ( -5.790 2.184 6.083) 8.677 22.973 ( 0.959 -2.765 -1.306) 3.205 23.090 ( 5.167 -3.807 -1.752) 6.653 23.323 ( 0.353 3.315 1.134) 3.521 23.537 ( -1.657 4.995 -6.493) 8.358 23.709 ( -3.964 3.567 2.535) 5.904 23.785 ( -2.401 1.376 -2.427) 3.681 23.995 ( 5.644 -0.167 -3.064) 6.425 24.174 ( -3.061 0.626 1.617) 3.518 24.228 ( 0.326 0.551 0.411) 0.761 24.395 ( -12.199 1.744 -3.609) 12.840 24.593 ( -1.384 -6.722 -0.887) 6.920 24.798 ( -7.166 4.110 -0.563) 8.281 24.807 ( 1.270 -2.519 -7.951) 8.436 24.958 ( -2.070 -0.589 -3.519) 4.124 25.123 ( 1.143 -3.195 1.440) 3.686 25.258 ( 1.904 -0.059 0.068) 1.906 25.322 ( -1.117 3.482 5.543) 6.641 25.469 ( 0.395 -1.653 -3.356) 3.762 25.609 ( -2.199 1.997 -1.148) 3.184 25.652 ( -5.582 2.074 1.614) 6.170 25.882 ( 8.253 0.808 2.425) 8.640 26.118 ( 10.057 -0.694 9.329) 13.735 26.229 ( 8.876 -1.563 -1.136) 9.084 26.832 ( 7.938 -9.188 -13.541) 18.187 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 27.057 -11.283 6.548) 30.037 1.996 ( 12.995 12.027 7.357) 19.173 2.197 ( 6.149 0.663 -1.382) 6.337 2.334 ( 12.163 -0.193 7.867) 14.486 2.392 ( -1.437 -3.801 1.978) 4.519 2.504 ( -3.985 2.426 -8.789) 9.951 2.749 ( 5.996 -13.543 -0.152) 14.812 2.932 ( 5.180 2.425 6.607) 8.739 3.003 ( -3.048 3.997 -6.553) 8.259 3.275 ( 1.445 0.592 12.659) 12.755 3.385 ( -7.894 -6.156 -2.737) 10.378 3.477 ( 5.257 9.372 5.571) 12.104 3.499 ( 3.121 -0.245 4.522) 5.500 3.554 ( 6.673 -1.672 -2.092) 7.190 3.772 ( 1.371 -2.846 12.659) 13.047 3.825 ( 3.214 -1.670 -0.334) 3.637 3.880 ( -7.889 -4.447 -3.937) 9.875 4.048 ( 3.944 2.277 -1.130) 4.693 4.129 ( 7.218 1.867 2.854) 7.983 4.244 ( -3.943 2.383 2.035) 5.036 4.354 ( 1.692 -2.532 0.658) 3.115 4.497 ( -0.739 1.709 2.017) 2.745 4.526 ( -5.472 1.865 -1.700) 6.026 4.644 ( 3.288 2.474 -0.930) 4.219 4.741 ( -6.795 -0.955 9.186) 11.466 4.906 ( 2.471 -1.296 -7.874) 8.353 4.945 ( 3.390 2.454 -6.295) 7.559 5.044 ( -2.038 6.283 -7.592) 10.063 5.062 ( -2.323 1.358 2.148) 3.443 5.267 ( -2.422 -9.998 8.364) 13.259 5.315 ( 6.531 2.397 -8.297) 10.827 5.380 ( 6.490 -0.393 -2.955) 7.142 5.465 ( -8.493 -0.735 2.661) 8.931 5.530 ( -1.817 4.084 -0.357) 4.484 5.595 ( -3.552 -6.214 6.053) 9.374 5.727 ( 4.827 1.802 -2.665) 5.800 5.737 ( 2.947 -2.395 2.262) 4.420 5.804 ( -1.296 -2.120 -1.274) 2.792 5.844 ( -2.823 4.857 0.076) 5.618 5.958 ( 4.556 2.973 0.118) 5.442 6.024 ( 2.320 -0.771 -6.023) 6.500 6.146 ( -8.825 6.131 1.063) 10.798 6.261 ( -2.494 6.142 6.654) 9.393 6.348 ( -10.771 -0.384 -3.270) 11.263 6.440 ( -11.725 2.733 -2.646) 12.327 6.466 ( -3.149 -1.782 -0.951) 3.741 6.598 ( -7.095 -3.502 5.496) 9.634 6.677 ( -11.970 1.345 11.547) 16.687 6.826 ( -3.814 -1.623 -4.861) 6.389 6.932 ( -2.865 -8.464 -0.742) 8.967 7.222 ( 3.380 8.554 -11.990) 15.111 7.269 ( -2.851 2.732 0.639) 4.000 7.392 ( -6.110 -5.490 -20.236) 21.840 7.436 ( -5.673 -3.665 -1.542) 6.927 7.500 ( -2.127 -4.536 -4.462) 6.709 7.575 ( -0.601 1.221 -4.275) 4.487 7.681 ( -0.108 -2.446 -6.010) 6.490 7.763 ( 1.646 -2.588 -2.206) 3.778 7.914 ( 0.269 -6.461 -0.108) 6.467 7.930 ( -8.281 -5.445 1.425) 10.013 7.988 ( 5.073 -5.677 -7.542) 10.716 8.237 ( 0.352 1.877 5.746) 6.055 8.282 ( -2.864 -2.545 1.769) 4.220 8.446 ( -1.290 -4.170 3.945) 5.884 8.616 ( 2.217 -5.284 -5.501) 7.943 8.659 ( -0.696 0.370 10.448) 10.478 8.795 ( 4.106 -5.822 -8.164) 10.836 8.815 ( 6.855 -2.182 -5.340) 8.959 8.950 ( -0.809 0.697 1.172) 1.586 9.109 ( 7.756 0.694 -8.240) 11.338 9.246 ( 3.243 -3.574 5.636) 7.420 9.272 ( 6.689 3.971 -3.110) 8.378 9.441 ( 5.010 -9.768 4.358) 11.811 9.750 ( -4.142 -9.521 5.510) 11.754 9.869 ( 4.512 -10.184 -0.194) 11.141 10.071 ( -6.859 -2.477 -1.635) 7.473 10.169 ( 0.639 1.337 6.000) 6.180 10.343 ( 8.450 1.325 13.141) 15.680 10.377 ( -6.736 9.205 7.468) 13.634 10.459 ( 3.806 1.738 -0.020) 4.185 10.753 ( -0.104 3.147 6.957) 7.636 10.878 ( -2.044 -1.906 2.820) 3.970 10.953 ( -3.100 1.817 -7.207) 8.053 11.127 ( 4.178 9.690 8.708) 13.681 11.215 ( 3.632 1.323 -5.002) 6.322 11.301 ( 0.360 -0.479 1.074) 1.229 11.447 ( 9.127 -0.251 3.585) 9.809 11.610 ( 6.289 -14.383 -4.163) 16.241 11.777 ( -3.288 5.903 -1.943) 7.031 12.035 ( 3.857 9.072 -2.845) 10.260 12.131 ( 1.653 1.353 5.945) 6.317 12.301 ( 0.052 -5.392 -1.426) 5.577 12.474 ( 3.083 -3.416 2.641) 5.305 12.515 ( 1.056 -6.913 -4.903) 8.541 12.717 ( 3.705 4.392 -5.396) 7.883 12.859 ( -1.560 3.186 -6.830) 7.696 12.992 ( -4.946 -5.200 -0.950) 7.240 13.136 ( -3.069 1.567 0.094) 3.448 13.220 ( -2.420 7.776 0.839) 8.187 13.419 ( -0.346 5.081 -1.721) 5.375 13.502 ( 7.383 12.270 -1.329) 14.381 13.621 ( 0.698 -8.205 7.315) 11.015 13.826 ( 4.487 1.051 0.633) 4.652 13.959 ( -0.931 0.070 3.675) 3.792 15.486 ( 0.807 0.183 0.546) 0.992 15.531 ( 4.925 0.840 2.676) 5.668 15.734 ( 6.222 0.003 1.788) 6.474 15.772 ( 1.882 -1.813 -1.080) 2.828 15.963 ( -1.197 5.947 3.746) 7.130 16.299 ( -12.045 1.563 -5.409) 13.296 16.370 ( -4.397 5.709 -2.569) 7.650 16.549 ( -4.257 -0.472 -7.544) 8.675 17.049 ( 11.263 -2.190 5.812) 12.862 17.260 ( 5.957 3.137 4.438) 8.064 17.369 ( 2.567 1.619 6.542) 7.211 17.698 ( -2.885 0.804 -8.232) 8.760 17.895 ( -3.786 1.515 1.111) 4.226 18.063 ( -3.271 7.040 -1.134) 7.846 18.421 ( -7.397 9.428 -6.473) 13.620 18.568 ( -1.470 5.269 -15.868) 16.785 18.968 ( -1.428 -2.055 -8.111) 8.488 19.132 ( 0.444 -2.586 -1.691) 3.121 19.273 ( 1.686 1.070 6.657) 6.950 19.422 ( -1.676 4.171 -5.495) 7.100 19.483 ( 2.753 -3.697 5.595) 7.249 19.572 ( 1.218 6.305 2.649) 6.946 19.839 ( -4.058 6.449 -10.184) 12.719 19.888 ( -0.371 5.245 3.751) 6.458 20.591 ( -7.227 -8.535 -7.787) 13.628 20.682 ( 1.513 -2.596 4.331) 5.271 20.740 ( 5.812 -3.873 2.937) 7.577 20.984 ( -7.755 -2.927 -9.121) 12.325 21.097 ( -1.544 -5.086 9.494) 10.881 21.313 ( 3.683 -5.102 13.347) 14.755 21.525 ( -2.161 -3.240 12.307) 12.909 21.887 ( -10.818 -6.117 4.478) 13.210 21.975 ( 1.647 3.243 3.588) 5.109 22.148 ( -0.588 -1.662 4.122) 4.483 22.233 ( -3.625 0.917 2.728) 4.628 22.268 ( -1.860 2.815 2.521) 4.212 22.606 ( 0.845 1.315 -0.255) 1.584 22.688 ( -1.036 3.199 2.772) 4.358 22.720 ( -0.985 2.886 2.360) 3.856 22.764 ( -1.661 1.385 5.238) 5.667 23.007 ( 2.330 -2.704 -3.811) 5.222 23.149 ( 1.419 0.415 -3.735) 4.017 23.367 ( 3.338 0.366 2.568) 4.228 23.488 ( -2.456 0.549 0.426) 2.552 23.596 ( -5.818 0.751 3.546) 6.855 23.780 ( 2.092 0.647 -7.016) 7.350 24.087 ( -0.109 0.664 -5.058) 5.103 24.136 ( -2.754 2.490 -6.023) 7.075 24.208 ( 1.426 1.893 0.868) 2.524 24.280 ( 2.904 0.469 1.489) 3.297 24.516 ( -4.509 -3.542 -1.467) 5.918 24.645 ( -7.410 2.985 1.211) 8.080 24.831 ( 1.378 -3.401 -4.609) 5.891 24.920 ( -0.646 -2.480 -1.326) 2.886 25.153 ( 0.997 -2.854 -0.395) 3.048 25.285 ( -1.822 1.616 1.458) 2.838 25.311 ( 1.471 -1.304 0.178) 1.974 25.468 ( 0.092 1.205 -0.020) 1.208 25.580 ( -1.178 2.567 0.209) 2.833 25.615 ( 1.496 -0.822 -3.368) 3.776 26.041 ( 5.845 1.091 3.042) 6.679 26.311 ( 5.567 -1.171 8.877) 10.543 26.450 ( 10.963 -3.328 -2.005) 11.632 26.856 ( -2.241 -6.897 -9.831) 12.216 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -12.367 0.841 -0.156) 12.397 2.150 ( -18.248 2.950 -7.111) 19.805 2.231 ( 10.461 -3.866 -6.562) 12.940 2.424 ( 8.653 -7.895 -2.290) 11.935 2.469 ( 8.742 6.567 9.254) 14.324 2.613 ( 2.507 -4.035 4.097) 6.273 2.840 ( 0.767 -13.380 -3.877) 13.951 2.940 ( 1.059 -3.387 0.476) 3.580 3.034 ( 5.296 -0.823 10.667) 11.938 3.190 ( -4.210 6.608 -2.415) 8.199 3.323 ( -1.881 -9.562 14.526) 17.492 3.489 ( -1.829 -1.527 2.484) 3.442 3.523 ( -5.960 -1.803 -6.095) 8.714 3.614 ( 5.703 5.346 3.468) 8.552 3.767 ( -2.579 -0.397 3.315) 4.219 3.857 ( 1.345 -7.853 -2.156) 8.254 3.893 ( 0.349 5.028 0.906) 5.121 4.046 ( -5.717 9.165 9.014) 14.069 4.070 ( -5.285 2.674 -2.790) 6.547 4.297 ( -4.915 -4.518 -1.200) 6.783 4.401 ( -0.513 -4.838 -6.451) 8.080 4.429 ( 2.386 4.809 8.625) 10.159 4.481 ( 3.273 2.524 -0.177) 4.136 4.672 ( 7.910 -6.514 -0.502) 10.259 4.719 ( -5.740 2.620 8.166) 10.320 4.862 ( -2.955 -2.293 -10.231) 10.893 4.991 ( -0.220 -5.902 -2.720) 6.502 5.075 ( 7.164 10.755 -5.050) 13.874 5.158 ( 7.140 3.058 2.805) 8.258 5.198 ( -8.919 -1.902 3.436) 9.746 5.259 ( 1.504 3.778 7.893) 8.879 5.417 ( -2.356 -1.444 4.430) 5.221 5.467 ( -2.593 -3.700 -0.752) 4.580 5.520 ( -0.845 5.443 -5.181) 7.562 5.579 ( 4.029 -0.670 -1.355) 4.303 5.677 ( -5.528 6.848 2.651) 9.192 5.734 ( -3.379 -0.272 0.280) 3.401 5.823 ( 4.578 -0.876 0.483) 4.686 5.889 ( -0.302 5.997 -2.651) 6.564 6.001 ( 0.248 -4.533 0.376) 4.555 6.060 ( 9.148 -7.738 2.475) 12.234 6.095 ( 0.447 -5.398 0.083) 5.417 6.212 ( 0.503 8.301 -10.075) 13.064 6.253 ( -1.813 3.873 7.779) 8.877 6.322 ( 5.164 5.158 8.768) 11.408 6.406 ( 0.391 2.701 2.232) 3.525 6.451 ( -8.191 5.937 5.790) 11.656 6.565 ( 3.297 2.489 -1.006) 4.252 6.869 ( 5.910 -6.251 -8.424) 12.040 6.940 ( 2.962 -8.748 2.473) 9.561 7.164 ( -5.634 -3.971 -4.313) 8.131 7.249 ( -0.021 3.729 -3.982) 5.455 7.302 ( -3.422 -7.630 -9.897) 12.957 7.361 ( 5.985 -7.931 -16.268) 19.062 7.468 ( 0.174 0.116 -9.135) 9.138 7.583 ( 0.698 -0.220 -4.305) 4.367 7.690 ( 0.035 2.313 -3.815) 4.461 7.751 ( -5.389 0.403 7.217) 9.016 7.821 ( 2.386 -3.139 -5.793) 7.007 7.927 ( -0.647 -3.178 -1.300) 3.495 8.121 ( 3.408 0.453 -0.314) 3.452 8.231 ( 2.443 -3.227 -9.338) 10.177 8.251 ( 0.503 -0.998 5.821) 5.927 8.422 ( -1.022 -6.140 6.712) 9.154 8.597 ( -1.131 -7.803 -10.788) 13.362 8.720 ( 2.103 -0.188 15.364) 15.508 8.816 ( -0.123 -0.753 -8.525) 8.559 8.865 ( -1.206 -0.765 -5.266) 5.456 9.009 ( 3.846 -0.187 -0.911) 3.957 9.102 ( -2.077 -4.536 -11.592) 12.619 9.243 ( -4.242 2.340 9.986) 11.100 9.382 ( 3.942 4.269 0.094) 5.811 9.596 ( 2.296 -14.728 10.972) 18.509 9.753 ( 3.055 -8.237 0.080) 8.785 9.859 ( -6.646 -6.117 2.457) 9.361 9.907 ( -6.498 3.216 -0.230) 7.254 10.186 ( -5.614 -4.775 0.290) 7.376 10.228 ( -0.634 8.823 7.774) 11.776 10.485 ( -0.031 -5.822 2.786) 6.454 10.523 ( -0.946 3.540 16.803) 17.198 10.679 ( -4.554 -2.834 -6.356) 8.317 10.769 ( -4.108 1.676 1.604) 4.718 10.964 ( 5.182 6.394 -6.956) 10.776 11.180 ( 0.793 5.592 10.515) 11.935 11.280 ( 4.234 -1.550 -4.204) 6.165 11.360 ( 1.644 -1.831 2.088) 3.227 11.557 ( -5.506 5.314 -1.336) 7.768 11.696 ( 6.500 -4.323 1.501) 7.949 11.754 ( 1.957 -1.446 -0.738) 2.543 12.016 ( -0.259 3.670 4.496) 5.810 12.225 ( 2.283 0.038 2.303) 3.243 12.258 ( -5.456 -3.511 -5.485) 8.496 12.522 ( 0.942 -7.110 0.112) 7.173 12.570 ( 3.341 -2.314 2.323) 4.682 12.810 ( -2.708 0.641 -6.998) 7.531 12.848 ( 5.891 0.092 -8.758) 10.555 12.928 ( 3.644 3.131 -2.540) 5.435 13.049 ( -2.074 2.233 -2.403) 3.881 13.208 ( 0.065 7.570 3.302) 8.259 13.415 ( 0.335 4.170 -0.606) 4.227 13.561 ( -3.122 -2.609 3.529) 5.386 13.647 ( 1.849 3.798 4.423) 6.116 13.864 ( -1.416 4.803 0.943) 5.096 13.950 ( 0.100 -0.867 3.364) 3.475 15.518 ( 1.714 -0.098 3.047) 3.497 15.615 ( 0.289 -1.762 4.190) 4.555 15.784 ( 1.724 6.904 -0.315) 7.123 15.837 ( 1.186 -0.460 0.902) 1.559 15.952 ( -8.914 -0.339 -1.028) 8.980 16.170 ( 8.910 2.261 2.067) 9.422 16.242 ( -4.066 1.476 -7.591) 8.736 16.513 ( 0.910 -0.255 -5.726) 5.803 17.208 ( -1.293 -2.581 3.227) 4.330 17.314 ( -5.446 -0.200 3.032) 6.237 17.435 ( 2.902 2.617 5.318) 6.599 17.527 ( 0.093 11.225 -2.920) 11.599 17.958 ( 5.296 -0.955 -2.727) 6.033 18.033 ( -2.693 2.447 1.086) 3.798 18.265 ( -0.538 12.120 -8.106) 14.591 18.557 ( 1.334 3.339 -14.680) 15.114 18.940 ( -0.173 1.139 -5.255) 5.380 19.128 ( -0.516 1.031 -3.931) 4.097 19.334 ( 3.685 -0.372 3.451) 5.062 19.408 ( -0.847 1.190 1.563) 2.139 19.469 ( -2.160 2.691 9.228) 9.852 19.667 ( 5.215 3.753 -0.745) 6.468 19.796 ( 1.503 3.304 -10.683) 11.283 19.888 ( 0.303 8.909 5.866) 10.671 20.346 ( -11.313 -4.905 -14.767) 19.238 20.496 ( -11.970 0.812 -13.532) 18.085 20.939 ( 8.176 -9.015 6.569) 13.830 21.006 ( 4.934 -0.931 11.165) 12.242 21.127 ( 4.495 -7.102 6.682) 10.737 21.289 ( -9.223 -7.576 18.156) 21.728 21.630 ( -4.688 0.612 2.230) 5.228 21.639 ( 2.344 -8.018 6.117) 10.354 22.027 ( 1.532 1.310 4.496) 4.927 22.110 ( -2.562 -0.327 4.432) 5.130 22.179 ( -1.433 2.452 -0.443) 2.874 22.291 ( 2.847 1.513 1.224) 3.448 22.634 ( 1.621 1.786 -0.223) 2.422 22.677 ( -0.524 2.431 1.926) 3.146 22.695 ( -1.348 1.673 3.140) 3.805 22.762 ( 0.107 3.077 5.079) 5.940 23.042 ( 1.557 -2.818 -5.289) 6.192 23.166 ( 1.392 1.973 -4.784) 5.359 23.358 ( -5.711 -3.525 3.026) 7.362 23.467 ( -2.541 0.457 1.683) 3.082 23.520 ( 1.182 2.609 0.747) 2.960 23.829 ( 3.474 -2.149 -5.687) 7.002 24.033 ( 0.771 4.435 -2.843) 5.324 24.109 ( 0.066 0.201 -6.087) 6.091 24.329 ( 3.981 -0.709 2.424) 4.715 24.342 ( 4.202 -0.853 -1.281) 4.475 24.453 ( -1.105 1.382 0.492) 1.836 24.493 ( -5.220 2.740 -0.735) 5.941 24.837 ( -0.255 -4.397 -2.571) 5.100 24.935 ( 2.285 -1.988 -0.975) 3.182 25.155 ( -0.577 -4.317 -1.053) 4.481 25.250 ( -1.367 0.777 -0.244) 1.591 25.337 ( 0.991 -1.623 1.208) 2.253 25.478 ( 0.400 2.225 1.022) 2.481 25.555 ( -1.325 0.439 -2.915) 3.232 25.642 ( 1.109 1.455 -1.829) 2.587 26.125 ( 1.113 0.249 4.756) 4.891 26.364 ( -1.904 -0.490 7.022) 7.292 26.569 ( -3.055 -4.755 -5.548) 7.919 26.823 ( 4.562 -5.010 -4.746) 8.273 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -26.294 5.839 4.026) 27.234 1.583 ( -26.555 10.131 0.574) 28.428 2.312 ( 0.278 -8.988 -2.763) 9.407 2.497 ( -5.681 -3.125 15.928) 17.197 2.565 ( -9.901 4.048 7.914) 13.306 2.635 ( -2.968 -6.613 -2.643) 7.716 2.807 ( 3.082 -7.628 -2.153) 8.504 2.941 ( -15.161 -6.654 11.428) 20.118 2.993 ( 3.914 -5.756 -9.352) 11.657 3.206 ( -0.060 10.434 11.662) 15.648 3.235 ( -2.476 7.750 -4.081) 9.102 3.373 ( -2.821 -0.542 6.070) 6.715 3.499 ( 2.924 2.481 3.812) 5.407 3.674 ( -5.089 -1.306 -9.213) 10.606 3.776 ( -7.434 3.238 -3.131) 8.692 3.861 ( 1.110 3.587 -2.414) 4.464 3.916 ( 9.122 -1.050 4.964) 10.438 3.918 ( 3.165 -2.419 0.662) 4.038 4.108 ( 3.567 -1.381 6.419) 7.472 4.264 ( 1.302 -1.505 6.721) 7.009 4.341 ( -4.217 3.073 -3.897) 6.513 4.450 ( -5.625 -5.704 -3.043) 8.569 4.497 ( 4.941 -3.423 2.519) 6.517 4.714 ( 7.939 4.849 0.097) 9.303 4.774 ( -8.291 -9.651 5.159) 13.729 4.824 ( 0.226 4.536 -3.850) 5.954 4.944 ( 0.832 -1.878 -7.956) 8.217 5.012 ( -2.411 2.444 -6.865) 7.676 5.146 ( -9.957 -8.475 2.260) 13.269 5.190 ( -4.853 3.234 3.077) 6.594 5.321 ( 2.995 2.450 0.701) 3.932 5.361 ( -3.157 5.200 -7.741) 9.845 5.464 ( 7.082 9.032 -4.604) 12.366 5.515 ( 7.868 -0.614 3.388) 8.588 5.631 ( -0.024 2.772 3.055) 4.125 5.687 ( 6.136 0.566 -3.393) 7.035 5.764 ( 1.895 0.755 2.219) 3.014 5.817 ( 4.854 0.169 5.713) 7.499 5.977 ( 1.709 -4.773 1.270) 5.226 6.056 ( -0.427 -6.430 -1.599) 6.639 6.105 ( 2.800 0.250 3.481) 4.475 6.202 ( 3.897 -7.401 -2.408) 8.705 6.244 ( 0.695 5.039 -4.901) 7.064 6.280 ( -1.817 0.409 10.472) 10.636 6.347 ( 4.737 11.638 0.800) 12.590 6.462 ( 7.291 5.492 0.994) 9.182 6.642 ( 5.388 2.329 1.286) 6.009 6.760 ( 21.122 4.136 13.511) 25.412 6.928 ( -1.374 -5.635 -6.948) 9.050 7.061 ( 2.952 -13.949 0.417) 14.264 7.101 ( 8.672 -3.310 -12.208) 15.337 7.244 ( -0.616 -5.381 -7.086) 8.919 7.274 ( 3.837 -9.877 0.018) 10.596 7.470 ( 1.758 0.552 -9.569) 9.745 7.521 ( 9.645 -1.411 -6.289) 11.600 7.547 ( -4.222 1.424 3.049) 5.399 7.648 ( 0.615 3.318 -10.072) 10.622 7.808 ( 8.005 -0.105 -2.538) 8.399 7.852 ( -1.819 -5.250 -2.167) 5.963 7.910 ( 4.404 -1.526 -3.864) 6.054 8.077 ( -2.524 -5.485 0.390) 6.051 8.276 ( 1.110 -0.694 0.300) 1.343 8.361 ( 5.085 -0.067 -10.423) 11.597 8.416 ( -0.921 -5.270 7.478) 9.195 8.537 ( -2.899 -8.437 -0.531) 8.937 8.664 ( -9.194 -1.773 -4.758) 10.503 8.816 ( -1.577 -5.399 6.398) 8.519 8.841 ( -5.195 3.745 -4.920) 8.076 8.952 ( 5.406 4.311 -13.171) 14.876 9.114 ( -4.342 -9.196 3.428) 10.732 9.161 ( -4.263 4.123 7.745) 9.755 9.430 ( 0.889 2.476 3.069) 4.043 9.594 ( -10.200 -3.513 1.250) 10.860 9.690 ( 4.275 -9.224 8.591) 13.310 9.697 ( -6.937 4.108 -0.658) 8.089 9.901 ( -4.296 3.784 1.503) 5.919 9.964 ( -4.387 -13.535 2.093) 14.382 10.191 ( -7.992 2.908 8.319) 11.897 10.364 ( -10.772 1.180 -3.372) 11.349 10.567 ( -3.061 -1.671 -6.623) 7.486 10.618 ( 6.070 9.619 10.217) 15.290 10.743 ( 0.337 0.245 4.787) 4.805 11.099 ( 2.305 8.134 0.975) 8.510 11.229 ( 4.375 -3.956 -0.440) 5.914 11.260 ( -3.871 -0.949 4.357) 5.905 11.378 ( -3.122 -2.198 2.862) 4.772 11.483 ( -0.053 4.185 -0.975) 4.297 11.720 ( -1.561 -1.646 -0.406) 2.304 11.736 ( -5.237 2.159 0.679) 5.705 11.978 ( -5.864 3.840 -1.582) 7.186 12.243 ( 1.591 -4.592 -3.040) 5.733 12.255 ( 6.667 -2.780 2.570) 7.667 12.493 ( -2.680 -12.465 5.172) 13.759 12.617 ( 0.455 0.169 -0.182) 0.519 12.737 ( -2.703 0.223 -5.752) 6.359 12.838 ( 0.007 7.393 -8.054) 10.933 13.039 ( 2.169 6.498 -4.197) 8.034 13.148 ( 5.574 -2.722 0.801) 6.255 13.248 ( 6.052 0.046 2.380) 6.504 13.438 ( -0.768 0.209 1.993) 2.146 13.479 ( -0.556 -1.469 0.538) 1.660 13.614 ( -6.297 2.556 -2.493) 7.239 13.862 ( 1.935 6.120 3.275) 7.206 13.916 ( -5.128 -0.373 5.862) 7.798 15.541 ( -2.343 1.145 3.180) 4.112 15.574 ( -1.636 0.145 2.765) 3.216 15.683 ( -7.900 -0.451 -1.116) 7.991 15.819 ( -2.375 -5.058 2.602) 6.164 15.926 ( 4.699 7.312 1.712) 8.859 16.202 ( 2.347 7.872 -7.928) 11.417 16.418 ( 8.514 -2.665 -1.810) 9.103 16.560 ( 5.404 -1.290 -6.219) 8.340 17.057 ( -8.742 0.299 6.346) 10.806 17.188 ( -6.549 0.625 2.712) 7.116 17.314 ( -7.754 5.339 1.952) 9.614 17.797 ( 14.552 2.382 -1.851) 14.861 17.901 ( -6.898 3.832 -1.062) 7.962 18.058 ( 4.872 0.322 -3.030) 5.746 18.406 ( 11.127 7.388 -5.495) 14.443 18.549 ( 0.565 9.520 -14.508) 17.362 18.932 ( -0.048 2.915 -2.240) 3.677 19.122 ( 0.845 -4.942 -4.661) 6.845 19.299 ( -7.176 -0.937 4.862) 8.719 19.442 ( 0.988 -1.015 4.572) 4.786 19.483 ( 3.131 5.843 0.469) 6.646 19.752 ( 2.172 3.203 -2.628) 4.677 19.814 ( -0.399 1.920 1.057) 2.228 19.955 ( 5.816 6.327 -2.586) 8.975 20.101 ( -6.103 12.013 -12.003) 18.045 20.324 ( -1.113 -2.000 -8.652) 8.950 21.009 ( -6.747 -11.769 7.105) 15.313 21.093 ( -8.084 -7.036 5.236) 11.928 21.124 ( 4.213 -2.502 8.675) 9.963 21.296 ( 7.823 -7.778 15.333) 18.889 21.432 ( -4.415 -0.090 -0.828) 4.493 21.858 ( 7.858 -2.075 5.104) 9.597 22.025 ( -1.101 1.869 6.978) 7.308 22.088 ( -0.628 -0.083 -0.325) 0.712 22.200 ( 3.170 1.942 2.844) 4.681 22.366 ( 3.478 -1.232 2.956) 4.728 22.645 ( -0.862 -0.380 0.474) 1.055 22.672 ( 0.061 2.265 2.100) 3.090 22.707 ( 1.993 2.819 2.430) 4.222 22.778 ( 0.342 3.907 5.916) 7.098 23.047 ( -0.420 -3.181 -4.182) 5.272 23.200 ( 2.745 2.264 -4.588) 5.806 23.224 ( -6.467 -3.123 1.065) 7.260 23.399 ( -1.832 4.504 -1.132) 4.992 23.566 ( 1.665 1.255 1.484) 2.559 23.884 ( 1.298 -2.882 -1.543) 3.517 24.107 ( 0.909 0.920 -6.272) 6.404 24.130 ( 7.796 1.786 -2.255) 8.310 24.268 ( -7.092 -0.849 2.855) 7.692 24.423 ( 2.555 1.908 -3.589) 4.801 24.480 ( 6.649 -2.005 1.620) 7.131 24.568 ( 7.842 3.885 0.005) 8.752 24.820 ( -0.480 -6.057 -3.418) 6.971 24.996 ( 3.190 0.290 -2.278) 3.931 25.133 ( -1.275 -6.342 -0.008) 6.469 25.226 ( -1.004 -0.015 0.144) 1.014 25.354 ( 0.002 -2.040 2.383) 3.136 25.485 ( 0.710 1.640 -0.899) 2.000 25.518 ( -1.068 1.129 -2.932) 3.318 25.654 ( 0.420 4.174 0.051) 4.195 26.101 ( -4.189 -0.786 5.656) 7.082 26.266 ( -8.146 -0.312 5.973) 10.106 26.383 ( -10.594 -1.763 -4.752) 11.744 26.944 ( 4.532 -8.751 -6.717) 11.926 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -17.715 15.552 15.882) 28.424 1.192 ( -12.722 20.482 21.687) 32.429 1.980 ( -31.290 21.409 29.712) 48.168 2.247 ( -10.599 -3.961 2.098) 11.508 2.453 ( 2.415 -10.654 0.652) 10.944 2.584 ( -4.784 -8.552 6.731) 11.889 2.753 ( -0.748 -1.444 11.184) 11.302 2.892 ( -1.292 -6.499 5.402) 8.549 2.997 ( -2.050 12.032 -7.009) 14.075 3.156 ( 1.466 -2.164 -5.949) 6.498 3.283 ( -6.080 12.773 -4.331) 14.795 3.326 ( -0.457 -3.768 4.977) 6.259 3.461 ( -3.906 -1.688 -9.211) 10.146 3.594 ( -2.432 1.287 8.081) 8.537 3.694 ( -1.844 0.229 1.504) 2.390 3.809 ( -2.868 0.294 -1.646) 3.320 3.907 ( -2.507 -11.233 -4.363) 12.308 4.122 ( 3.343 0.791 5.599) 6.569 4.149 ( -2.342 2.555 -1.521) 3.785 4.295 ( 7.800 -0.318 1.764) 8.003 4.333 ( 4.168 -1.324 5.572) 7.083 4.483 ( 3.313 -3.501 -5.596) 7.385 4.514 ( -6.268 -5.273 -1.430) 8.315 4.644 ( 3.753 -1.924 -5.364) 6.823 4.786 ( -4.637 5.998 -10.901) 13.278 4.850 ( -1.041 5.501 2.241) 6.031 4.940 ( 3.635 5.372 -2.937) 7.120 4.985 ( -1.701 -4.386 -0.055) 4.705 5.059 ( 9.131 -0.180 2.375) 9.437 5.155 ( 4.419 -2.685 -5.194) 7.329 5.296 ( -4.868 -6.137 -7.994) 11.192 5.351 ( 2.296 5.598 -5.459) 8.149 5.539 ( 0.696 5.731 2.107) 6.146 5.604 ( -3.892 -1.780 -4.133) 5.950 5.754 ( 5.205 5.743 2.701) 8.208 5.785 ( 1.800 -3.888 0.907) 4.380 5.826 ( -4.037 -4.454 -3.174) 6.798 5.884 ( 7.210 1.952 9.655) 12.207 5.982 ( -1.177 0.837 4.114) 4.361 6.076 ( -2.761 1.421 1.580) 3.484 6.174 ( 3.880 -8.879 7.803) 12.441 6.207 ( 3.098 5.019 -5.777) 8.256 6.256 ( 6.622 4.618 -13.900) 16.074 6.290 ( -1.928 4.121 7.649) 8.899 6.517 ( 7.654 -1.799 8.906) 11.880 6.648 ( -2.178 2.054 -0.954) 3.142 6.681 ( 11.297 1.231 1.599) 11.476 6.780 ( -5.963 -1.459 -1.540) 6.329 7.087 ( 0.516 -10.135 -7.130) 12.402 7.219 ( 7.025 -8.934 4.060) 12.068 7.226 ( 6.849 -1.300 -2.113) 7.285 7.355 ( 9.828 -4.741 -11.343) 15.739 7.389 ( 1.493 -0.109 7.013) 7.171 7.493 ( 3.689 0.080 -1.413) 3.951 7.542 ( 3.468 -4.197 -2.701) 6.078 7.623 ( 8.004 -5.564 -4.104) 10.576 7.809 ( 16.256 -0.908 -3.232) 16.599 7.881 ( 3.002 -2.375 1.041) 3.967 7.903 ( 1.683 -8.576 2.258) 9.026 8.020 ( 4.390 -3.589 -6.656) 8.744 8.147 ( 5.344 -2.119 -7.040) 9.089 8.295 ( 2.239 -6.744 -1.939) 7.366 8.336 ( -6.312 -4.711 9.941) 12.683 8.382 ( -4.596 0.119 -7.328) 8.650 8.437 ( 0.781 -2.335 -7.310) 7.713 8.558 ( -2.386 1.880 -7.491) 8.083 8.607 ( -10.527 2.104 -12.631) 16.577 8.760 ( -8.510 -5.123 -1.621) 10.065 8.926 ( -6.526 -3.716 7.205) 10.408 9.046 ( 1.913 -1.065 3.445) 4.082 9.108 ( -3.834 -2.384 4.767) 6.566 9.343 ( -6.587 1.041 10.418) 12.370 9.529 ( -5.906 5.680 2.211) 8.487 9.562 ( -5.981 6.735 3.051) 9.510 9.707 ( 2.854 -5.198 5.222) 7.902 9.863 ( 3.264 -5.027 -4.940) 7.767 10.024 ( 6.042 0.468 3.340) 6.920 10.038 ( -12.160 -0.857 -1.702) 12.309 10.186 ( 4.966 0.966 -2.684) 5.727 10.549 ( -0.779 2.481 4.059) 4.821 10.647 ( -4.000 9.549 4.434) 11.263 10.707 ( -4.340 9.400 9.259) 13.890 11.108 ( -0.045 -0.038 0.940) 0.942 11.140 ( -10.225 -2.946 7.706) 13.138 11.195 ( -6.211 -4.516 6.795) 10.254 11.386 ( 0.143 0.754 -0.991) 1.253 11.462 ( -5.388 5.026 -1.919) 7.614 11.575 ( -0.791 0.753 0.659) 1.275 11.672 ( -1.538 8.484 -5.613) 10.289 11.999 ( 5.611 -2.950 -4.024) 7.509 12.203 ( -2.015 -3.217 -2.886) 4.768 12.405 ( 0.508 -10.225 1.721) 10.382 12.463 ( 0.997 -8.001 -0.369) 8.072 12.618 ( -1.419 -4.245 -0.718) 4.533 12.718 ( 3.239 -2.368 3.287) 5.187 12.862 ( 3.708 7.862 -7.434) 11.438 13.014 ( -3.640 10.108 -6.145) 12.377 13.162 ( -3.139 0.382 9.522) 10.033 13.375 ( -3.183 -3.765 -0.977) 5.026 13.394 ( -1.568 -5.686 1.543) 6.096 13.417 ( -3.028 1.860 -7.205) 8.034 13.611 ( 8.710 -1.655 0.494) 8.880 13.770 ( -7.572 0.211 3.151) 8.205 13.884 ( -3.313 1.305 0.909) 3.675 15.445 ( -4.095 3.370 -0.099) 5.305 15.550 ( -1.473 -0.314 0.767) 1.690 15.612 ( -0.339 1.520 1.966) 2.508 15.787 ( -0.777 -8.644 1.087) 8.747 16.004 ( 1.935 5.588 4.021) 7.151 16.270 ( 4.483 13.793 -5.225) 15.415 16.513 ( 3.663 -4.987 -6.735) 9.146 16.685 ( 5.792 2.337 -4.474) 7.683 16.942 ( -3.018 5.209 7.898) 9.931 17.064 ( -7.882 0.066 1.784) 8.081 17.164 ( -4.611 -2.962 7.162) 9.018 17.740 ( -5.813 -2.355 -4.961) 7.997 18.052 ( 6.113 12.338 -5.659) 14.887 18.185 ( 8.648 -5.515 -1.586) 10.379 18.487 ( -0.980 8.694 -10.233) 13.463 18.676 ( 11.890 7.548 -9.794) 17.154 18.901 ( -3.521 6.180 0.801) 7.158 19.101 ( -2.343 -7.017 2.363) 7.766 19.206 ( -0.103 -3.306 3.669) 4.940 19.392 ( -4.089 1.559 -2.173) 4.886 19.560 ( 2.484 2.024 -3.785) 4.959 19.719 ( -3.680 6.989 1.330) 8.010 19.797 ( 0.411 1.580 -5.405) 5.646 20.016 ( 3.424 8.636 -12.078) 15.238 20.248 ( 16.708 17.784 5.860) 25.095 20.383 ( 5.409 -1.543 4.144) 6.987 20.775 ( -12.756 -9.795 6.093) 17.198 20.929 ( -7.211 -2.163 1.832) 7.748 21.209 ( 2.019 -7.969 1.060) 8.289 21.426 ( 1.663 -0.593 -4.727) 5.046 21.466 ( 4.327 -6.317 21.076) 22.423 21.925 ( -0.424 2.162 2.373) 3.239 22.070 ( 1.553 0.488 5.944) 6.163 22.091 ( 2.166 1.663 0.189) 2.737 22.279 ( 2.771 -0.432 5.675) 6.330 22.436 ( 2.111 -5.328 5.040) 7.632 22.627 ( -0.811 -0.654 0.968) 1.422 22.680 ( 0.257 0.872 2.889) 3.029 22.782 ( 5.031 2.845 1.271) 5.918 22.792 ( -0.261 3.445 6.869) 7.689 23.010 ( -2.282 -3.804 -1.520) 4.689 23.104 ( -5.194 -3.054 0.891) 6.091 23.262 ( 3.402 2.885 -2.905) 5.323 23.421 ( 4.614 9.016 -5.517) 11.533 23.616 ( 3.576 2.964 0.363) 4.658 23.862 ( -2.650 -0.288 -0.428) 2.699 24.094 ( -5.703 -0.325 1.436) 5.890 24.135 ( -0.162 1.480 -3.465) 3.771 24.311 ( 7.501 -3.962 1.553) 8.624 24.516 ( 5.977 -2.029 -5.708) 8.511 24.592 ( 1.894 -3.865 1.513) 4.562 24.758 ( 7.463 4.757 -2.057) 9.087 24.832 ( 4.315 -5.428 -7.112) 9.933 25.035 ( 0.905 0.290 -5.880) 5.956 25.126 ( 1.220 -7.087 5.864) 9.279 25.198 ( -1.344 -3.310 0.281) 3.583 25.358 ( 0.611 0.245 3.871) 3.927 25.506 ( 1.157 3.182 1.188) 3.588 25.537 ( 3.733 0.248 -4.171) 5.603 25.686 ( 3.372 7.751 1.556) 8.595 25.981 ( -7.604 -1.904 5.331) 9.480 26.068 ( -11.206 -0.305 7.437) 13.453 26.166 ( -7.899 -0.135 -3.901) 8.810 26.903 ( -8.536 -11.790 -12.456) 19.158 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -11.066 14.001 25.206) 30.884 1.726 ( 8.552 21.515 25.445) 34.402 1.784 ( -10.565 -6.188 11.364) 16.704 2.213 ( 0.601 6.987 -1.298) 7.132 2.328 ( -1.820 -5.928 4.634) 7.741 2.539 ( 10.415 2.574 5.013) 11.842 2.736 ( -3.598 1.004 14.164) 14.648 2.818 ( 3.109 2.257 4.557) 5.961 3.072 ( 1.626 -1.263 -3.969) 4.472 3.115 ( -2.176 2.315 -2.670) 4.150 3.212 ( -2.319 6.941 -9.939) 12.343 3.444 ( 3.189 0.665 1.822) 3.732 3.462 ( -5.340 4.493 -2.550) 7.430 3.540 ( 1.826 6.390 -0.387) 6.657 3.644 ( -1.627 -1.680 3.093) 3.878 3.799 ( -1.043 4.555 3.275) 5.706 3.989 ( 5.023 0.241 -5.326) 7.325 4.062 ( -0.237 -1.211 0.633) 1.387 4.193 ( -3.752 -5.365 5.802) 8.748 4.328 ( 0.029 3.050 5.768) 6.525 4.364 ( 6.112 2.179 0.528) 6.510 4.372 ( -3.107 -1.186 0.226) 3.334 4.577 ( -1.800 -9.612 -8.213) 12.771 4.720 ( 6.136 1.835 -16.296) 17.510 4.837 ( -3.269 7.493 -0.613) 8.198 4.875 ( 0.773 9.531 -10.429) 14.150 4.959 ( 2.962 -1.068 -0.236) 3.157 5.015 ( 4.226 -3.802 -16.622) 17.567 5.120 ( 5.207 -0.161 1.893) 5.543 5.240 ( 2.647 -4.532 -1.910) 5.585 5.285 ( -3.764 0.756 2.487) 4.575 5.399 ( -2.062 6.034 -4.999) 8.103 5.478 ( -3.367 -2.410 -1.766) 4.501 5.645 ( -5.776 -0.174 -0.740) 5.825 5.659 ( -8.001 -0.097 -5.209) 9.547 5.697 ( -0.009 2.960 6.248) 6.914 5.812 ( 1.112 3.496 5.246) 6.401 5.843 ( -1.327 -2.407 6.436) 6.998 6.004 ( 1.920 -2.279 -7.961) 8.500 6.032 ( -1.716 -2.650 3.398) 4.638 6.082 ( -0.937 -0.945 4.691) 4.876 6.269 ( -6.250 1.271 6.182) 8.882 6.284 ( 5.589 1.188 2.970) 6.440 6.413 ( 3.454 -3.342 0.851) 4.881 6.553 ( -6.257 -4.543 -1.260) 7.834 6.653 ( -0.496 -3.712 4.601) 5.932 6.752 ( -5.812 -14.605 4.595) 16.377 6.816 ( 8.505 -2.223 4.527) 9.888 6.921 ( 12.723 4.674 -9.282) 16.428 7.033 ( -1.783 -12.041 -1.549) 12.270 7.213 ( 2.712 -4.232 5.876) 7.733 7.333 ( -3.468 3.994 1.660) 5.544 7.385 ( 5.225 -11.240 1.160) 12.450 7.519 ( 1.539 -5.801 5.205) 7.944 7.572 ( -13.862 -4.671 -2.178) 14.789 7.633 ( 0.957 -0.910 -4.141) 4.346 7.675 ( -6.213 -9.794 -3.533) 12.125 7.759 ( 1.244 -1.422 4.053) 4.472 7.923 ( 1.650 -4.795 -9.783) 11.019 8.071 ( 9.646 -2.988 -2.631) 10.435 8.127 ( 3.535 -1.736 2.499) 4.664 8.139 ( -6.135 1.747 -7.855) 10.119 8.300 ( 3.720 2.410 -0.116) 4.434 8.368 ( 2.021 -3.333 -2.071) 4.414 8.487 ( -0.178 3.238 1.971) 3.795 8.543 ( -0.523 1.081 -6.772) 6.877 8.551 ( -1.095 4.036 -8.526) 9.497 8.615 ( 3.703 -4.761 3.858) 7.160 8.754 ( -10.385 -10.357 -1.303) 14.725 8.901 ( 4.609 -6.091 -6.767) 10.205 8.990 ( -1.196 2.695 -0.097) 2.950 9.258 ( -8.754 -2.673 0.030) 9.153 9.416 ( -0.191 -0.621 -6.727) 6.759 9.561 ( -4.095 -2.130 0.135) 4.618 9.763 ( -0.004 10.119 5.892) 11.709 9.916 ( 0.979 1.369 -9.850) 9.993 10.003 ( 11.644 1.147 -5.727) 13.027 10.174 ( 5.076 -5.119 10.534) 12.765 10.397 ( 8.410 8.563 -3.298) 12.447 10.722 ( 0.902 0.364 -2.956) 3.112 10.773 ( -5.408 7.171 5.904) 10.748 10.828 ( 1.995 8.196 5.611) 10.131 10.967 ( -6.250 -4.595 9.828) 12.520 11.010 ( 1.939 6.209 10.582) 12.421 11.270 ( 6.040 4.952 0.827) 7.854 11.383 ( -10.646 6.342 5.102) 13.401 11.418 ( 4.393 1.403 0.427) 4.631 11.565 ( -8.255 1.028 -2.434) 8.668 11.730 ( 0.246 0.377 1.656) 1.716 11.876 ( -1.606 -11.820 6.929) 13.795 11.942 ( 0.060 -9.752 7.159) 12.098 12.150 ( -3.299 -6.367 1.666) 7.362 12.444 ( 0.642 -0.783 -5.261) 5.357 12.622 ( -0.818 -0.835 -3.194) 3.401 12.783 ( 0.733 4.964 4.124) 6.495 12.973 ( 1.233 -0.035 2.074) 2.413 13.107 ( -6.285 1.050 -1.120) 6.470 13.164 ( 4.740 7.769 -6.083) 10.947 13.253 ( -2.019 2.624 -1.043) 3.471 13.331 ( 0.388 -1.330 -3.572) 3.832 13.506 ( 4.728 -2.106 1.382) 5.358 13.557 ( 1.969 -2.593 3.958) 5.125 13.759 ( -6.028 2.994 -4.401) 8.041 13.795 ( 2.349 0.609 -4.588) 5.190 15.509 ( 0.251 4.212 -0.163) 4.222 15.524 ( -1.198 0.303 -0.165) 1.247 15.633 ( -0.743 0.310 1.344) 1.566 15.643 ( -0.398 -4.636 1.145) 4.791 16.191 ( 1.911 9.368 4.518) 10.574 16.501 ( 4.004 -3.184 -2.401) 5.651 16.625 ( 5.836 7.043 0.698) 9.173 16.838 ( -3.934 3.758 -2.114) 5.837 16.887 ( -7.564 0.302 0.855) 7.618 16.961 ( 5.798 0.604 -2.195) 6.228 17.112 ( 0.185 1.865 5.353) 5.672 17.496 ( -2.169 -10.601 -4.239) 11.621 18.238 ( 1.584 6.098 -0.276) 6.306 18.449 ( 3.776 13.236 -1.964) 13.904 18.644 ( -0.398 6.961 -7.675) 10.369 18.709 ( 0.098 -8.830 -1.641) 8.982 18.995 ( 4.352 -6.606 0.936) 7.966 19.086 ( -3.104 3.121 -2.673) 5.150 19.148 ( -1.858 4.922 -8.299) 9.826 19.326 ( -1.145 -2.623 -11.978) 12.315 19.690 ( -0.355 11.247 -2.532) 11.533 19.783 ( -4.698 7.100 0.293) 8.519 19.963 ( 4.553 9.417 -1.478) 10.564 20.127 ( 0.173 -4.169 -9.578) 10.447 20.270 ( 1.973 -8.065 7.979) 11.515 20.389 ( -1.617 -7.550 5.843) 9.683 20.768 ( 2.751 -3.919 4.846) 6.813 20.969 ( -0.838 -12.033 4.771) 12.971 21.026 ( 2.942 10.261 3.946) 11.380 21.433 ( 0.118 -3.935 8.708) 9.557 21.465 ( -1.479 4.403 11.527) 12.428 21.916 ( -0.991 -6.541 1.280) 6.738 22.093 ( -0.001 0.398 4.560) 4.578 22.135 ( 0.152 -0.151 -0.540) 0.581 22.341 ( 0.668 3.187 0.923) 3.385 22.389 ( -1.532 -0.056 1.533) 2.168 22.634 ( 0.075 3.018 1.353) 3.309 22.722 ( 0.722 2.375 3.766) 4.511 22.822 ( -2.635 2.101 5.795) 6.704 22.871 ( -0.592 -5.380 -0.069) 5.413 22.881 ( 4.337 -3.494 0.211) 5.573 22.944 ( -4.867 -3.375 4.965) 7.728 23.404 ( 1.747 5.701 -0.837) 6.021 23.568 ( 2.655 -1.412 -2.491) 3.905 23.839 ( -0.007 3.807 -3.829) 5.399 23.885 ( 5.733 3.653 -3.233) 7.527 23.985 ( -6.038 3.258 1.642) 7.055 24.184 ( 1.178 1.774 -3.072) 3.738 24.286 ( -3.525 -3.664 2.787) 5.798 24.367 ( 0.306 -9.944 -0.920) 9.991 24.572 ( -0.853 0.618 -3.219) 3.387 24.764 ( -2.303 -5.399 -8.486) 10.318 24.887 ( 5.650 0.403 -5.881) 8.166 24.979 ( -0.629 -3.037 -3.437) 4.629 25.053 ( -1.042 -1.155 -0.643) 1.684 25.169 ( 3.440 -5.237 0.940) 6.336 25.450 ( -0.609 6.996 3.238) 7.733 25.560 ( -3.586 3.872 3.093) 6.117 25.658 ( 5.372 -1.501 1.635) 5.812 25.752 ( -7.443 -4.373 5.494) 10.232 25.868 ( -5.154 1.919 2.875) 6.206 25.947 ( 4.334 3.165 1.193) 5.498 26.124 ( 1.727 4.941 -4.164) 6.689 26.528 ( 0.352 -9.748 -9.258) 13.449 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 7.863 3.298 13.540) 16.001 1.725 ( 5.717 -16.553 0.777) 17.530 2.021 ( 12.589 16.021 17.666) 26.968 2.230 ( -1.924 -3.739 1.984) 4.649 2.291 ( 0.295 6.735 1.583) 6.925 2.656 ( 1.075 -0.883 7.764) 7.888 2.747 ( 0.647 2.657 6.491) 7.044 2.892 ( 2.494 15.458 9.520) 18.325 3.063 ( -1.972 -0.021 -3.210) 3.768 3.168 ( 7.803 -1.594 4.207) 9.007 3.303 ( 2.365 -2.422 -1.187) 3.588 3.382 ( 7.946 1.810 -4.345) 9.236 3.551 ( -4.273 6.709 2.934) 8.478 3.589 ( 6.508 8.098 0.613) 10.407 3.656 ( 3.408 -0.206 3.464) 4.864 3.812 ( -0.903 -1.349 2.666) 3.121 3.997 ( -5.598 -8.083 1.974) 10.028 4.079 ( -2.761 1.234 -6.632) 7.289 4.087 ( 2.746 -2.006 -1.207) 3.608 4.234 ( -6.165 7.596 -1.688) 9.927 4.332 ( 1.325 1.430 5.850) 6.166 4.482 ( -1.498 -10.633 -4.160) 11.515 4.564 ( 5.716 -7.617 -4.422) 10.500 4.680 ( -4.000 9.475 -10.677) 14.824 4.777 ( -2.551 6.034 2.510) 7.015 4.944 ( 6.135 6.361 -12.002) 14.905 5.045 ( -2.030 0.199 7.057) 7.346 5.077 ( -1.375 -5.653 -5.727) 8.163 5.166 ( 1.353 1.379 -3.412) 3.921 5.202 ( -0.172 6.023 -0.656) 6.061 5.329 ( 6.622 4.136 -5.709) 9.673 5.370 ( -4.394 -4.345 0.993) 6.259 5.388 ( 5.215 -1.661 -1.931) 5.804 5.518 ( -2.470 3.107 -2.157) 4.517 5.564 ( -2.819 -2.456 6.568) 7.557 5.686 ( -0.638 0.735 -0.776) 1.245 5.775 ( -2.956 -3.125 -1.554) 4.574 5.894 ( 0.462 0.584 0.301) 0.803 5.907 ( -8.018 9.454 -1.616) 12.501 6.069 ( 0.649 1.198 6.303) 6.448 6.088 ( 1.516 1.043 0.511) 1.910 6.209 ( 0.628 1.453 4.134) 4.427 6.306 ( -3.864 -6.233 -0.845) 7.382 6.365 ( -6.513 -7.455 -2.069) 10.114 6.469 ( -1.764 -2.905 9.372) 9.969 6.563 ( -6.897 -6.657 1.153) 9.655 6.709 ( -1.361 -0.793 2.322) 2.806 6.856 ( -4.645 -3.372 -1.557) 5.947 7.018 ( -8.898 -0.568 4.674) 10.067 7.103 ( -6.754 -19.147 6.629) 21.358 7.117 ( -11.101 -1.116 -7.826) 13.628 7.179 ( 5.178 -1.557 -4.852) 7.264 7.370 ( -1.017 -0.393 4.878) 4.999 7.401 ( -3.741 -6.069 -1.756) 7.342 7.506 ( -1.646 -8.279 2.753) 8.879 7.576 ( 2.808 0.977 -1.150) 3.188 7.648 ( -1.687 0.872 -8.414) 8.626 7.800 ( 0.116 -9.284 -2.370) 9.582 7.912 ( -7.235 -1.088 -10.327) 12.656 7.967 ( -0.809 8.321 -1.205) 8.447 8.049 ( -5.262 4.716 -6.038) 9.294 8.262 ( 3.345 -3.621 -5.250) 7.202 8.317 ( -0.570 -4.606 -0.855) 4.719 8.383 ( -6.073 2.119 6.442) 9.103 8.506 ( 4.835 2.159 -1.500) 5.504 8.544 ( 7.477 -0.476 -6.802) 10.119 8.573 ( -1.842 -7.603 -2.058) 8.089 8.620 ( 3.568 -6.302 4.793) 8.684 8.789 ( 9.322 -5.299 4.584) 11.662 8.950 ( -0.628 -11.987 -6.516) 13.658 9.005 ( 2.769 -0.451 2.210) 3.572 9.162 ( 0.714 -2.314 -2.242) 3.300 9.508 ( 8.336 1.760 -7.184) 11.144 9.550 ( 2.013 7.473 -7.694) 10.913 9.823 ( -3.247 -0.793 -3.939) 5.166 9.959 ( 8.441 2.016 5.170) 10.101 10.067 ( -1.365 -2.567 5.295) 6.041 10.312 ( 7.024 0.806 -0.178) 7.072 10.484 ( -11.643 -1.543 14.339) 18.535 10.608 ( 5.549 9.838 -7.328) 13.464 10.768 ( 1.143 -1.671 5.314) 5.687 10.909 ( 1.977 -2.723 5.655) 6.581 11.013 ( 0.607 -1.229 -4.242) 4.458 11.099 ( -0.483 8.969 6.833) 11.286 11.121 ( -1.268 -1.590 2.377) 3.128 11.369 ( -0.304 6.298 1.320) 6.442 11.451 ( 1.098 5.235 7.240) 9.002 11.525 ( -0.907 7.781 4.024) 8.806 11.769 ( 9.767 1.237 -4.910) 11.002 11.954 ( -2.688 -10.165 -3.637) 11.125 11.992 ( 6.064 -6.839 9.380) 13.097 12.121 ( 6.217 -6.065 6.439) 10.812 12.441 ( 0.012 0.072 -5.318) 5.319 12.543 ( -6.733 1.434 -0.410) 6.896 12.780 ( -1.235 3.326 1.178) 3.738 12.966 ( -2.428 4.560 -1.272) 5.320 13.016 ( -3.816 -2.146 -1.117) 4.518 13.192 ( 2.223 1.081 0.196) 2.480 13.329 ( 3.630 0.931 -0.562) 3.789 13.340 ( 0.797 -4.462 -2.781) 5.318 13.528 ( 3.130 3.608 5.124) 7.005 13.662 ( 0.010 7.315 -7.461) 10.449 13.711 ( 6.294 1.479 0.736) 6.508 13.884 ( 4.710 -3.048 -2.412) 6.107 15.493 ( -0.961 0.872 -0.372) 1.350 15.519 ( 0.412 2.546 0.408) 2.611 15.634 ( 1.343 -0.059 1.579) 2.073 15.651 ( 1.640 -4.007 1.258) 4.509 16.208 ( -1.251 11.330 0.841) 11.430 16.532 ( -1.834 1.166 -6.221) 6.590 16.642 ( -8.049 -4.690 1.783) 9.485 16.656 ( -9.646 5.680 0.493) 11.205 16.845 ( 8.301 8.111 -0.129) 11.606 17.113 ( 6.051 -3.500 0.974) 7.058 17.240 ( 9.140 1.291 5.798) 10.900 17.533 ( 6.234 -8.372 -5.433) 11.767 18.192 ( -6.712 9.404 0.713) 11.576 18.375 ( -8.842 8.036 -1.562) 12.050 18.581 ( -0.021 7.205 -10.550) 12.776 18.837 ( 7.272 -11.011 3.669) 13.696 18.953 ( -7.925 6.140 -12.883) 16.324 19.039 ( -3.455 -1.880 -9.369) 10.161 19.126 ( 3.880 -3.900 0.203) 5.505 19.350 ( 5.845 -1.935 -4.815) 7.816 19.655 ( -3.106 13.268 -4.759) 14.433 19.704 ( -1.953 6.136 3.432) 7.297 20.016 ( -4.343 -3.025 -4.461) 6.922 20.058 ( 1.477 12.486 -0.767) 12.597 20.321 ( 1.778 -12.777 6.184) 14.306 20.480 ( 7.162 -1.805 7.931) 10.838 20.826 ( -1.866 -5.029 0.989) 5.455 20.896 ( 0.344 -9.408 -0.977) 9.465 21.062 ( -4.661 1.656 7.906) 9.326 21.355 ( -5.144 6.419 -1.534) 8.367 21.461 ( -3.581 -5.795 22.344) 23.359 21.858 ( -5.353 -10.997 2.799) 12.546 22.070 ( -1.991 2.728 2.855) 4.422 22.132 ( -0.089 -0.061 1.136) 1.141 22.332 ( -2.786 2.259 1.070) 3.743 22.348 ( -1.157 1.872 -0.036) 2.201 22.642 ( 0.527 4.071 0.704) 4.165 22.748 ( 0.211 2.993 6.447) 7.111 22.791 ( -0.220 2.525 0.894) 2.687 22.834 ( -3.871 -0.963 4.465) 5.987 22.890 ( 0.608 -5.722 0.209) 5.758 22.998 ( 5.619 -5.699 0.046) 8.003 23.416 ( -0.217 5.569 0.898) 5.645 23.564 ( -2.574 -1.121 -0.631) 2.877 23.801 ( -4.971 4.772 -1.460) 7.043 23.831 ( -5.846 3.136 -1.107) 6.726 23.995 ( 5.500 0.797 -3.701) 6.677 24.202 ( -1.739 0.984 -1.817) 2.701 24.220 ( 1.546 -2.585 -2.094) 3.668 24.335 ( -4.136 -6.106 -1.171) 7.468 24.517 ( -2.565 1.136 -1.842) 3.356 24.721 ( -0.338 -5.881 -5.782) 8.255 24.899 ( -5.458 4.317 -1.946) 7.226 24.942 ( -2.669 -0.568 -2.763) 3.883 25.066 ( 2.637 -1.329 -2.281) 3.731 25.207 ( 1.948 -4.697 -1.489) 5.298 25.430 ( -2.569 6.247 4.538) 8.137 25.467 ( -1.854 1.906 -0.862) 2.795 25.614 ( -3.557 -1.521 0.953) 3.984 25.670 ( -4.219 -1.159 8.049) 9.162 25.921 ( 8.165 3.268 -0.810) 8.832 26.089 ( 7.870 -3.272 2.600) 8.910 26.245 ( 8.545 5.031 -1.717) 10.064 26.628 ( 6.665 -11.336 -8.983) 15.925 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 17.999 -7.077 -2.676) 19.525 1.944 ( 11.184 -19.578 -7.663) 23.814 2.175 ( 4.080 -6.569 -4.471) 8.932 2.256 ( 4.133 -9.754 -1.718) 10.732 2.445 ( 8.871 21.244 5.642) 23.703 2.671 ( -4.301 10.031 0.303) 10.918 2.711 ( 4.869 7.913 9.517) 13.300 2.919 ( -3.847 -0.883 6.410) 7.528 3.071 ( 0.365 2.650 -0.570) 2.735 3.267 ( -3.865 -6.348 5.935) 9.511 3.274 ( -2.562 -1.090 3.458) 4.439 3.459 ( 1.278 1.414 6.269) 6.552 3.566 ( 1.017 -2.932 1.257) 3.348 3.649 ( -1.695 -4.686 3.472) 6.074 3.697 ( -8.012 -7.997 -0.256) 11.322 3.745 ( 5.990 12.187 -1.357) 13.648 3.920 ( -2.174 -1.733 0.549) 2.834 4.100 ( 4.878 -1.059 -2.389) 5.534 4.139 ( -0.307 7.044 7.026) 9.954 4.202 ( 10.887 -0.760 -3.792) 11.554 4.378 ( -2.248 -0.270 2.810) 3.609 4.503 ( 4.688 -5.422 2.249) 7.512 4.519 ( -10.207 0.589 1.747) 10.372 4.655 ( -1.870 -0.685 4.691) 5.097 4.708 ( -1.968 5.873 -0.204) 6.197 4.928 ( -1.653 3.126 -1.610) 3.885 5.060 ( 3.390 2.699 -1.818) 4.699 5.113 ( 4.418 1.265 0.663) 4.643 5.149 ( 1.418 8.702 -2.274) 9.105 5.272 ( 1.529 3.949 -5.162) 6.677 5.314 ( 0.032 -2.794 0.964) 2.956 5.420 ( 2.851 4.555 -9.533) 10.943 5.460 ( 1.504 1.027 0.648) 1.933 5.543 ( 1.302 0.988 5.956) 6.176 5.592 ( -0.314 -4.992 4.469) 6.707 5.660 ( -0.266 6.656 -4.393) 7.979 5.712 ( -2.808 -4.809 -0.159) 5.571 5.788 ( 2.700 2.185 -0.359) 3.491 5.921 ( -2.993 -0.952 -11.197) 11.629 5.992 ( -3.998 6.650 1.451) 7.894 6.079 ( -0.761 0.507 -0.316) 0.968 6.116 ( -8.332 -8.174 0.574) 11.686 6.246 ( 0.433 -6.587 1.200) 6.710 6.327 ( -5.722 -10.480 2.011) 12.109 6.395 ( -1.952 1.240 5.477) 5.945 6.484 ( -4.043 2.646 0.126) 4.833 6.575 ( -5.489 3.711 1.330) 6.758 6.664 ( -11.929 -2.174 4.255) 12.851 6.778 ( -3.133 -4.883 -5.560) 8.036 6.904 ( -6.827 3.621 7.337) 10.656 7.085 ( -1.055 -15.745 -4.891) 16.521 7.187 ( -4.898 -12.601 0.758) 13.541 7.286 ( -6.036 -5.996 4.898) 9.817 7.338 ( -3.202 -4.696 -8.004) 9.817 7.497 ( -0.462 5.971 -2.233) 6.391 7.595 ( 0.698 6.818 -7.089) 9.861 7.707 ( -0.420 -5.720 -4.755) 7.450 7.739 ( 2.449 -2.275 -6.820) 7.595 7.791 ( 1.999 0.879 -8.469) 8.746 7.904 ( -3.879 7.001 -3.163) 8.606 8.072 ( 7.040 12.340 -1.968) 14.342 8.249 ( -0.432 -3.052 0.976) 3.233 8.279 ( -4.092 1.010 9.695) 10.572 8.419 ( 4.005 -4.325 0.965) 5.973 8.494 ( -3.089 -1.229 -11.897) 12.352 8.608 ( 2.470 -5.745 9.614) 11.469 8.639 ( 3.767 -11.110 -5.238) 12.848 8.746 ( 5.219 -4.727 -9.100) 11.506 8.904 ( 0.483 -0.469 2.487) 2.577 9.027 ( 7.187 -8.289 -1.453) 11.066 9.128 ( 6.901 -9.954 0.360) 12.117 9.207 ( 3.561 -2.763 3.518) 5.717 9.500 ( 0.648 11.413 -2.644) 11.734 9.710 ( 5.465 3.000 -4.746) 7.835 9.722 ( -3.920 -4.577 0.629) 6.059 9.968 ( -4.800 -4.986 2.738) 7.442 10.185 ( -2.489 -6.639 4.042) 8.161 10.303 ( 2.279 -6.387 8.759) 11.077 10.433 ( 4.384 6.800 7.070) 10.745 10.575 ( -8.688 7.098 4.818) 12.209 10.804 ( 0.813 0.488 4.276) 4.380 10.807 ( -7.109 0.150 -8.351) 10.968 11.043 ( 1.299 4.294 2.382) 5.079 11.180 ( 6.171 -2.706 -0.991) 6.810 11.225 ( 9.804 -4.335 -6.584) 12.581 11.353 ( -0.361 -3.163 3.969) 5.088 11.426 ( -4.002 7.573 1.362) 8.673 11.644 ( 9.162 13.854 7.571) 18.254 11.795 ( -4.362 -4.262 -1.890) 6.385 12.040 ( 8.071 -4.216 -1.252) 9.192 12.162 ( 6.395 0.164 6.878) 9.393 12.274 ( -3.247 -0.308 2.197) 3.933 12.327 ( -1.624 -2.940 -0.247) 3.367 12.468 ( 0.134 -3.328 3.506) 4.836 12.778 ( 1.169 0.777 -4.336) 4.558 12.894 ( -4.077 -4.066 -0.613) 5.790 12.965 ( 1.501 9.536 -4.558) 10.675 13.216 ( -1.080 4.871 1.519) 5.215 13.314 ( -1.132 0.571 -1.539) 1.994 13.407 ( 2.598 -8.560 3.681) 9.673 13.565 ( -0.458 7.091 0.256) 7.110 13.746 ( 3.173 9.394 -2.388) 10.199 13.810 ( 6.066 -2.232 -2.557) 6.951 13.948 ( 0.979 -1.464 1.848) 2.552 15.494 ( 0.924 0.786 0.852) 1.482 15.538 ( 1.567 -0.318 2.289) 2.792 15.727 ( 5.992 -0.801 1.200) 6.164 15.739 ( 7.304 -0.741 2.042) 7.621 16.141 ( -4.611 10.548 -3.157) 11.937 16.353 ( -10.831 3.307 -4.308) 12.116 16.427 ( -9.939 -0.122 -4.233) 10.804 16.547 ( -3.364 -0.476 -2.116) 4.002 17.058 ( 9.877 3.097 3.681) 10.986 17.242 ( 4.969 -3.899 2.326) 6.731 17.427 ( 6.777 5.179 4.174) 9.496 17.702 ( 9.201 -3.975 -3.107) 10.493 17.988 ( -10.801 9.115 -0.257) 14.135 18.172 ( -7.830 3.323 -1.592) 8.654 18.603 ( 2.379 8.693 -8.943) 12.696 18.684 ( -11.084 5.389 -14.043) 18.684 18.920 ( -3.044 -3.577 -10.520) 11.521 19.044 ( 7.700 -8.460 3.439) 11.946 19.235 ( 6.125 1.086 0.023) 6.221 19.466 ( 1.778 -1.643 -5.964) 6.437 19.575 ( -2.086 11.752 -0.482) 11.946 19.708 ( 2.018 7.753 2.673) 8.445 19.901 ( -3.769 -1.301 -6.806) 7.888 20.098 ( 0.062 15.501 8.688) 17.770 20.334 ( -2.026 -15.637 -4.022) 16.272 20.660 ( 6.418 -0.168 12.511) 14.062 20.754 ( 0.068 1.255 -3.775) 3.979 20.844 ( -10.902 -6.236 -1.276) 12.624 20.988 ( 1.104 -6.171 7.377) 9.681 21.288 ( -0.966 3.603 10.049) 10.719 21.383 ( -6.181 -10.417 13.597) 18.210 21.705 ( -8.779 -11.690 4.261) 15.227 22.058 ( 0.316 4.193 2.191) 4.742 22.132 ( -0.501 -0.477 2.934) 3.015 22.266 ( -2.761 2.762 0.011) 3.905 22.324 ( -0.839 2.061 -1.835) 2.884 22.661 ( 1.096 4.097 0.036) 4.241 22.746 ( -0.752 2.744 3.589) 4.580 22.764 ( -2.895 0.459 3.593) 4.637 22.818 ( 1.469 5.391 3.920) 6.826 22.925 ( 2.337 -5.651 -2.542) 6.623 23.101 ( 4.020 -5.524 -1.168) 6.932 23.406 ( -1.755 3.272 2.545) 4.502 23.493 ( -2.989 -0.429 0.297) 3.034 23.641 ( -6.057 4.108 2.049) 7.600 23.785 ( -0.997 -0.681 -4.240) 4.409 24.088 ( 2.901 0.136 -5.907) 6.582 24.162 ( -1.486 -1.111 -8.614) 8.812 24.246 ( 0.061 1.376 1.447) 1.998 24.278 ( 2.123 -0.529 1.024) 2.416 24.486 ( -0.250 1.791 -0.877) 2.010 24.675 ( -5.296 -2.600 -0.843) 5.959 24.784 ( -2.077 0.927 -0.354) 2.302 24.868 ( -3.465 -2.188 0.351) 4.113 25.108 ( 1.470 -0.919 -5.473) 5.741 25.232 ( 0.249 -4.694 -4.722) 6.663 25.368 ( -1.573 3.877 -0.385) 4.202 25.493 ( 1.370 0.731 1.832) 2.402 25.561 ( -1.789 -0.863 2.963) 3.567 25.645 ( 0.306 0.717 5.380) 5.436 26.078 ( 5.839 2.910 0.202) 6.528 26.265 ( 6.982 -4.435 2.374) 8.606 26.416 ( 7.117 1.842 -1.023) 7.422 26.692 ( 0.899 -9.270 -6.755) 11.506 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 6.597 -10.909 -12.268) 17.693 1.982 ( -6.568 -18.546 -6.154) 20.615 2.243 ( -2.018 1.995 -5.464) 6.157 2.397 ( 5.793 -4.159 -8.620) 11.187 2.504 ( 5.696 2.177 1.380) 6.252 2.657 ( -2.021 3.762 -2.164) 4.787 2.704 ( -4.970 5.977 -3.206) 8.409 2.845 ( -4.414 3.409 1.250) 5.715 3.151 ( 5.927 3.902 18.425) 19.745 3.165 ( -2.221 -2.791 12.200) 12.710 3.295 ( 4.333 0.208 -0.831) 4.417 3.460 ( -1.632 -4.865 -4.005) 6.509 3.495 ( -5.305 -0.482 5.572) 7.708 3.557 ( -4.469 -7.132 6.876) 10.868 3.692 ( 5.700 -8.136 -1.183) 10.004 3.808 ( 0.406 0.390 3.666) 3.709 3.931 ( -5.086 2.344 5.017) 7.519 4.129 ( -3.094 -2.787 7.149) 8.274 4.225 ( 4.473 9.185 4.085) 11.003 4.252 ( 2.092 3.227 4.557) 5.963 4.332 ( -7.481 4.333 -2.309) 8.948 4.488 ( 7.201 0.995 2.194) 7.594 4.538 ( 1.474 1.546 1.476) 2.597 4.654 ( -2.679 -7.800 4.174) 9.244 4.684 ( 1.626 6.715 -1.453) 7.060 4.907 ( -0.914 4.897 -6.420) 8.126 5.030 ( -7.940 8.427 -2.923) 11.942 5.155 ( 0.270 0.161 5.628) 5.637 5.204 ( 8.927 0.566 3.845) 9.736 5.225 ( -9.328 4.572 -1.594) 10.510 5.346 ( -4.872 -0.391 -1.466) 5.103 5.446 ( -3.116 -0.454 2.560) 4.058 5.460 ( 5.083 -1.099 -4.494) 6.873 5.501 ( 2.601 2.630 -0.536) 3.738 5.637 ( -2.228 3.118 -5.928) 7.059 5.693 ( 5.603 -7.176 1.280) 9.194 5.715 ( 3.230 -0.303 -3.350) 4.664 5.771 ( -5.276 -4.447 -1.510) 7.063 5.857 ( 0.136 3.392 -5.674) 6.612 5.950 ( 4.672 -3.363 -3.080) 6.529 6.017 ( -1.399 0.217 4.917) 5.116 6.109 ( -2.795 6.880 0.803) 7.469 6.226 ( -1.515 -4.945 1.019) 5.271 6.259 ( 3.716 -7.594 -1.794) 8.643 6.400 ( 8.697 6.648 5.016) 12.042 6.473 ( 3.541 -5.128 -5.262) 8.156 6.527 ( -0.293 0.986 -0.799) 1.303 6.604 ( 1.623 2.280 6.084) 6.697 6.756 ( -0.849 -1.778 1.275) 2.347 6.824 ( -1.422 0.752 5.692) 5.915 7.016 ( -3.206 -10.358 -4.824) 11.868 7.105 ( -1.448 -7.982 -2.921) 8.622 7.150 ( -7.257 -8.088 4.312) 11.691 7.325 ( 4.332 -7.000 -4.088) 9.191 7.461 ( -0.668 0.929 -7.425) 7.513 7.601 ( 0.491 9.229 -11.251) 14.560 7.645 ( -0.802 -7.460 -3.158) 8.140 7.785 ( -1.031 1.526 1.006) 2.099 7.827 ( 2.998 1.728 -8.187) 8.888 7.957 ( 5.707 6.832 -1.745) 9.072 8.168 ( -4.002 4.656 -1.132) 6.243 8.211 ( -2.458 1.433 -5.778) 6.441 8.283 ( 2.244 -4.884 3.113) 6.211 8.389 ( -1.827 2.808 0.449) 3.380 8.425 ( 1.528 -0.462 -5.103) 5.347 8.664 ( -0.718 -4.571 9.053) 10.167 8.775 ( -0.119 -5.307 -12.001) 13.123 8.794 ( 8.086 -17.634 3.163) 19.656 8.868 ( -0.059 2.441 -5.213) 5.757 9.060 ( -2.170 -3.016 -5.490) 6.629 9.274 ( 0.359 0.858 6.992) 7.053 9.334 ( 9.344 -6.579 10.069) 15.231 9.546 ( 1.793 3.617 -3.588) 5.401 9.630 ( -3.494 -0.324 3.306) 4.821 9.746 ( -2.502 -4.548 -0.174) 5.194 9.874 ( -6.299 -6.178 4.103) 9.730 10.044 ( -4.219 -7.032 -2.141) 8.475 10.343 ( -5.415 2.591 11.862) 13.295 10.410 ( -3.047 -7.998 -2.792) 9.003 10.530 ( -0.299 4.919 10.096) 11.235 10.708 ( -1.151 0.978 -6.385) 6.561 10.870 ( 6.318 10.996 3.449) 13.143 10.982 ( -4.200 -0.166 -4.964) 6.504 11.235 ( -3.221 0.078 2.462) 4.055 11.353 ( 7.953 0.921 2.291) 8.327 11.423 ( 1.607 7.028 -2.157) 7.525 11.500 ( 5.716 -5.636 -4.028) 8.981 11.643 ( -1.968 -5.508 -3.739) 6.942 11.845 ( 1.652 13.452 8.903) 16.215 12.046 ( -2.179 -2.113 3.486) 4.622 12.182 ( -2.306 -3.099 -1.754) 4.243 12.211 ( -4.661 -2.795 2.665) 6.053 12.351 ( 1.816 -5.076 5.504) 7.705 12.533 ( 2.980 -5.628 7.662) 9.963 12.775 ( 0.317 1.589 -6.990) 7.175 12.873 ( 1.380 -1.571 -3.181) 3.807 13.033 ( 4.827 8.355 -4.710) 10.737 13.161 ( -3.158 7.313 0.023) 7.966 13.319 ( 1.744 1.241 1.663) 2.711 13.426 ( -1.530 -7.535 4.170) 8.747 13.533 ( -2.474 7.634 -1.940) 8.256 13.737 ( -1.978 1.097 -3.134) 3.865 13.929 ( 2.210 2.127 0.959) 3.214 13.946 ( 0.315 0.667 1.987) 2.120 15.530 ( 1.950 1.157 3.585) 4.241 15.583 ( 1.153 -1.466 4.507) 4.877 15.819 ( -1.229 -0.130 1.733) 2.128 15.860 ( -1.551 -1.116 2.030) 2.788 16.040 ( -0.571 9.498 -5.911) 11.201 16.220 ( 2.440 1.734 -4.202) 5.159 16.279 ( -1.015 2.751 -4.545) 5.409 16.478 ( -1.922 -3.785 -5.978) 7.331 17.180 ( -1.962 0.256 2.908) 3.518 17.286 ( -0.808 -2.975 3.612) 4.748 17.524 ( 0.916 7.054 3.259) 7.824 17.788 ( -0.770 14.337 -5.198) 15.270 17.884 ( 2.528 -7.573 3.363) 8.663 18.102 ( 0.800 3.110 0.106) 3.213 18.456 ( -5.314 6.334 -14.200) 16.432 18.657 ( 4.612 5.484 -14.690) 16.344 18.898 ( 2.074 -2.122 -0.467) 3.004 19.188 ( 3.818 -3.055 -4.489) 6.638 19.319 ( -1.379 4.526 3.710) 6.013 19.453 ( 5.066 2.498 -3.409) 6.597 19.537 ( -3.535 6.554 1.534) 7.603 19.786 ( 3.217 4.258 -2.875) 6.062 19.856 ( 1.093 2.471 -5.224) 5.882 20.052 ( -5.936 1.211 5.363) 8.091 20.268 ( -1.530 3.805 -6.311) 7.527 20.532 ( -9.878 2.885 -5.033) 11.456 20.808 ( 2.733 -3.450 6.683) 8.002 20.906 ( 6.956 -10.662 12.386) 17.762 20.975 ( -1.212 -5.324 8.305) 9.939 21.207 ( -7.478 -0.240 11.895) 14.052 21.420 ( 3.284 -12.090 7.877) 14.798 21.567 ( -1.051 -7.106 3.006) 7.787 22.076 ( 0.470 2.859 2.319) 3.711 22.114 ( -1.543 0.438 3.144) 3.529 22.233 ( -0.071 3.520 -1.087) 3.685 22.321 ( 1.057 0.970 -1.794) 2.297 22.670 ( -0.589 1.765 0.233) 1.875 22.724 ( -1.211 1.089 2.557) 3.031 22.749 ( 0.473 4.165 1.889) 4.598 22.852 ( 0.740 6.126 5.638) 8.359 22.964 ( 1.570 -4.686 -3.290) 5.937 23.162 ( 2.070 -4.119 -2.434) 5.213 23.324 ( -5.342 1.313 2.323) 5.972 23.448 ( -2.147 -2.345 1.058) 3.351 23.591 ( 0.621 4.503 0.329) 4.557 23.775 ( 1.065 -3.720 -2.842) 4.801 24.108 ( 1.549 2.332 -5.847) 6.483 24.127 ( 0.415 1.866 -6.829) 7.091 24.319 ( 3.675 -0.349 1.504) 3.986 24.322 ( 1.444 -0.918 0.045) 1.712 24.500 ( 0.837 3.249 0.827) 3.455 24.549 ( -3.454 2.559 -0.888) 4.389 24.758 ( -1.735 -3.024 -0.474) 3.518 24.848 ( 1.997 -6.005 2.472) 6.794 25.109 ( -0.095 -0.206 -7.008) 7.011 25.213 ( -0.616 -3.888 -6.586) 7.673 25.355 ( -0.149 2.688 1.428) 3.047 25.496 ( -0.828 -2.798 -3.130) 4.280 25.551 ( -0.251 3.080 6.531) 7.226 25.675 ( 1.177 0.222 4.909) 5.053 26.149 ( 0.559 2.690 0.716) 2.840 26.338 ( -1.059 -3.558 1.672) 4.071 26.495 ( -0.905 -0.597 -2.610) 2.827 26.698 ( 2.380 -7.350 -3.609) 8.527 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -15.850 2.951 -2.685) 16.344 1.830 ( -7.086 6.661 -12.295) 15.676 2.090 ( -6.811 -3.562 3.630) 8.500 2.404 ( -5.615 -6.559 -5.468) 10.220 2.465 ( 1.665 -4.248 -0.289) 4.572 2.675 ( -4.135 -6.302 9.375) 12.029 2.795 ( -0.529 4.218 -1.602) 4.543 2.837 ( -11.562 6.034 8.406) 15.516 2.917 ( 8.324 0.968 5.084) 9.802 3.233 ( -8.316 -9.833 5.427) 13.975 3.408 ( 2.152 -1.559 4.034) 4.831 3.433 ( -3.518 1.017 6.481) 7.444 3.493 ( 4.473 -1.065 -0.742) 4.657 3.573 ( 7.309 4.874 0.968) 8.838 3.723 ( -4.613 -8.991 1.006) 10.155 3.848 ( 1.297 2.023 4.422) 5.033 3.915 ( 4.629 0.245 6.630) 8.090 3.996 ( -1.247 -1.005 -5.361) 5.595 4.176 ( -6.782 12.398 -0.284) 14.134 4.295 ( -2.256 3.686 3.632) 5.645 4.408 ( -2.259 2.122 1.317) 3.367 4.424 ( -3.246 4.992 -4.634) 7.545 4.461 ( -0.452 1.031 7.388) 7.473 4.628 ( -0.582 -3.374 -4.923) 5.996 4.801 ( 6.607 1.810 4.339) 8.108 4.939 ( 4.642 3.973 -4.753) 7.741 4.980 ( -0.074 3.354 -2.537) 4.206 5.000 ( -4.626 3.206 -0.918) 5.702 5.151 ( -3.394 7.659 2.713) 8.805 5.242 ( -5.406 -6.941 -3.973) 9.653 5.247 ( -4.657 -1.498 -3.670) 6.115 5.449 ( -2.203 1.061 -3.633) 4.379 5.481 ( 5.096 -0.731 3.592) 6.278 5.552 ( 5.526 -6.126 1.475) 8.381 5.683 ( 1.388 -5.301 -1.499) 5.680 5.724 ( -0.116 -0.044 -0.723) 0.733 5.748 ( 6.438 2.521 6.645) 9.590 5.809 ( 3.373 3.896 -13.482) 14.433 5.880 ( 5.070 -2.511 -4.529) 7.248 6.004 ( -4.448 2.404 -0.293) 5.065 6.073 ( 3.389 0.085 2.341) 4.120 6.121 ( 8.903 1.313 2.240) 9.274 6.221 ( -0.223 -5.842 -2.803) 6.483 6.356 ( 1.325 4.541 7.275) 8.677 6.508 ( -0.051 3.157 -3.934) 5.045 6.560 ( 3.644 -2.444 2.730) 5.167 6.682 ( 8.949 0.190 3.206) 9.508 6.755 ( -0.626 -6.681 3.789) 7.706 6.777 ( 12.421 -5.420 0.967) 13.586 6.818 ( 4.803 -6.521 0.250) 8.103 7.012 ( 2.822 -8.581 -3.347) 9.634 7.052 ( 0.476 -7.885 11.708) 14.124 7.141 ( 5.394 -0.983 -4.346) 6.997 7.440 ( 4.547 -8.612 -3.344) 10.297 7.473 ( 2.994 0.000 -8.235) 8.763 7.578 ( 0.734 6.224 -3.205) 7.039 7.617 ( -2.295 -5.004 -1.049) 5.604 7.833 ( 5.048 3.504 -7.146) 9.424 7.891 ( 2.875 3.753 -5.108) 6.960 7.948 ( -6.011 -0.818 -6.183) 8.662 7.998 ( -0.606 3.095 -6.491) 7.217 8.186 ( -0.654 -4.920 -3.146) 5.876 8.340 ( -3.962 -1.807 1.867) 4.738 8.356 ( 3.032 -1.094 4.335) 5.402 8.460 ( -1.309 -1.701 4.533) 5.016 8.593 ( -5.518 -3.789 -1.601) 6.883 8.669 ( -4.457 -8.521 -0.163) 9.617 8.877 ( -2.347 -12.591 9.071) 15.695 8.976 ( -4.674 6.004 -11.814) 14.052 9.035 ( 9.422 4.461 -11.570) 15.574 9.226 ( -3.919 4.727 2.273) 6.548 9.484 ( -6.599 -5.559 4.871) 9.908 9.504 ( 5.513 -5.750 7.968) 11.267 9.573 ( -0.363 8.075 -3.998) 9.018 9.663 ( -6.057 -9.551 -2.562) 11.596 9.785 ( 2.030 2.010 5.831) 6.493 9.989 ( -4.084 -1.840 -1.507) 4.726 10.277 ( -2.587 3.617 6.152) 7.591 10.362 ( 0.704 -11.154 -2.452) 11.442 10.427 ( -11.432 3.072 0.892) 11.871 10.729 ( 5.579 4.346 0.707) 7.107 10.883 ( -0.769 8.790 0.219) 8.826 11.097 ( 9.217 -4.429 -1.913) 10.404 11.182 ( -3.397 -0.852 4.815) 5.954 11.298 ( -8.676 -2.046 2.634) 9.295 11.436 ( -6.841 2.439 0.327) 7.270 11.545 ( 5.327 6.214 1.290) 8.285 11.693 ( 0.041 4.081 1.751) 4.441 11.814 ( -2.031 2.745 5.202) 6.222 12.034 ( -3.131 1.077 -5.092) 6.074 12.091 ( -3.089 -9.691 7.062) 12.383 12.216 ( 3.595 -2.613 2.138) 4.932 12.311 ( -4.616 -1.444 3.435) 5.932 12.593 ( 1.286 -5.908 6.257) 8.701 12.764 ( -0.547 2.744 -5.064) 5.785 12.933 ( 3.149 -0.817 -3.752) 4.966 13.076 ( 2.759 3.001 -0.327) 4.090 13.168 ( 2.815 5.962 -2.321) 6.990 13.325 ( -3.790 1.006 1.963) 4.386 13.406 ( -0.382 0.219 -0.885) 0.988 13.477 ( -0.662 0.567 1.094) 1.398 13.644 ( -6.503 -1.317 -5.509) 8.624 13.907 ( -2.680 2.303 0.742) 3.611 13.964 ( -0.921 2.002 2.431) 3.281 15.571 ( -0.367 0.488 4.024) 4.070 15.585 ( -0.204 1.910 3.182) 3.717 15.676 ( -8.059 -0.217 -1.240) 8.157 15.744 ( -5.549 -2.578 2.498) 6.609 16.095 ( 2.983 9.404 -2.596) 10.201 16.316 ( 6.225 2.110 -7.242) 9.780 16.382 ( 5.885 0.077 -4.026) 7.131 16.511 ( 7.796 -3.711 -2.684) 9.042 17.060 ( -6.955 1.637 3.877) 8.129 17.201 ( -6.485 -1.457 1.147) 6.745 17.434 ( -8.708 7.319 2.108) 11.569 17.822 ( -7.270 -6.139 0.466) 9.527 17.926 ( 10.351 6.070 -0.986) 12.040 18.170 ( 5.462 8.050 -3.002) 10.181 18.444 ( 5.014 -0.305 -9.978) 11.171 18.762 ( 6.603 4.133 -11.515) 13.903 18.968 ( 2.705 3.379 0.319) 4.339 19.104 ( -5.024 6.102 -8.351) 11.499 19.356 ( 1.254 -4.678 -1.986) 5.234 19.405 ( -7.526 5.576 3.813) 10.113 19.610 ( 6.636 5.037 -0.004) 8.331 19.812 ( 1.203 4.042 -5.871) 7.229 19.891 ( 0.611 4.364 1.804) 4.762 19.981 ( 2.261 -2.631 -5.786) 6.746 20.195 ( -3.700 -0.422 -3.946) 5.426 20.478 ( 4.130 13.063 2.687) 13.961 20.728 ( -9.550 -14.660 8.860) 19.612 20.973 ( -0.188 -2.465 7.426) 7.827 21.064 ( -0.403 -7.314 6.390) 9.721 21.176 ( 5.559 -1.646 13.169) 14.388 21.397 ( -0.615 -1.365 4.205) 4.464 21.735 ( 9.973 -10.625 4.722) 15.318 22.070 ( -1.029 2.544 3.458) 4.415 22.098 ( -0.234 0.735 0.624) 0.992 22.259 ( 2.329 3.948 0.223) 4.589 22.356 ( 2.082 -0.154 -0.529) 2.153 22.648 ( -1.155 1.003 0.830) 1.740 22.713 ( -0.401 0.811 2.302) 2.473 22.768 ( 0.945 3.419 0.765) 3.629 22.866 ( -0.525 4.568 6.790) 8.200 22.967 ( -1.040 -3.766 -1.541) 4.199 23.145 ( -4.394 -4.880 2.020) 6.870 23.272 ( 2.037 4.362 -3.876) 6.181 23.429 ( 1.017 -1.659 -1.080) 2.226 23.628 ( 2.799 4.954 0.673) 5.729 23.817 ( 2.714 -3.911 -1.432) 4.972 24.136 ( 1.462 2.116 -6.034) 6.559 24.166 ( 4.192 1.604 -3.449) 5.660 24.261 ( -5.723 0.393 2.631) 6.311 24.388 ( 1.103 -4.721 -1.736) 5.150 24.495 ( 2.259 2.950 -0.126) 3.718 24.622 ( 6.325 -0.503 -1.311) 6.480 24.749 ( 2.219 0.629 -1.968) 3.032 24.920 ( 3.428 -5.968 3.429) 7.689 25.081 ( -1.269 0.149 -7.356) 7.466 25.180 ( -1.695 -3.999 -5.998) 7.406 25.362 ( 0.658 2.199 2.717) 3.557 25.478 ( 0.561 -2.506 -3.564) 4.393 25.560 ( 0.001 4.150 6.151) 7.420 25.706 ( 1.066 -0.095 5.721) 5.821 26.105 ( -4.689 1.628 1.000) 5.063 26.236 ( -7.879 -3.259 0.683) 8.553 26.393 ( -7.137 4.056 -1.841) 8.412 26.741 ( 0.498 -11.245 -5.027) 12.328 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -7.436 20.027 11.015) 24.036 1.646 ( -6.641 25.744 13.492) 29.814 2.041 ( -5.742 -15.176 5.232) 17.049 2.260 ( -3.935 -6.399 2.989) 8.085 2.389 ( -15.119 -0.575 6.785) 16.581 2.453 ( -2.669 7.848 7.286) 11.037 2.721 ( 3.710 -9.358 -0.214) 10.069 2.796 ( -3.955 2.364 10.255) 11.243 3.053 ( 1.679 -2.216 -1.800) 3.313 3.157 ( -0.222 2.132 3.310) 3.943 3.396 ( -7.520 -0.816 -8.269) 11.207 3.400 ( -1.500 7.417 -3.263) 8.241 3.473 ( 2.382 3.183 1.615) 4.291 3.613 ( -5.260 -9.831 6.827) 13.074 3.702 ( -1.478 3.963 1.023) 4.352 3.863 ( 3.712 11.481 -9.470) 15.338 3.912 ( -5.986 9.337 3.019) 11.494 4.037 ( 3.411 -7.904 2.674) 9.015 4.149 ( 1.595 -1.627 7.880) 8.203 4.248 ( 2.562 2.005 -2.400) 4.042 4.330 ( 2.589 -3.226 0.480) 4.164 4.385 ( -2.504 5.837 3.428) 7.217 4.600 ( 6.853 -0.873 -7.570) 10.249 4.622 ( -0.003 -1.901 -4.684) 5.055 4.863 ( 0.668 -3.766 -0.005) 3.824 4.938 ( -2.764 7.709 -3.857) 9.052 4.951 ( -3.920 3.448 0.802) 5.281 5.012 ( 2.241 5.374 -1.536) 6.021 5.082 ( -3.625 1.386 -9.586) 10.342 5.156 ( 3.726 -1.543 -4.209) 5.829 5.239 ( 5.359 0.434 -3.556) 6.446 5.418 ( 1.185 2.478 -9.550) 9.937 5.549 ( -5.412 -4.368 -0.976) 7.023 5.653 ( 5.116 0.815 10.832) 12.007 5.728 ( 0.005 -5.072 -4.431) 6.735 5.754 ( 2.801 -3.102 3.303) 5.327 5.816 ( 0.072 -0.453 1.739) 1.798 5.877 ( -2.573 -1.894 -7.085) 7.772 5.929 ( 3.218 -0.820 -1.595) 3.684 5.992 ( 5.178 4.000 9.310) 11.379 6.100 ( -3.005 -0.444 3.609) 4.717 6.254 ( 5.044 -2.513 -5.337) 7.761 6.298 ( 1.646 -0.682 0.491) 1.848 6.357 ( -0.080 3.274 6.606) 7.373 6.496 ( 5.572 -3.889 -1.809) 7.032 6.618 ( 2.168 -11.004 5.229) 12.375 6.730 ( 0.594 1.333 2.451) 2.852 6.753 ( -2.948 2.965 -0.410) 4.201 6.890 ( -0.121 -10.896 5.291) 12.113 7.005 ( 8.450 -2.809 -0.527) 8.920 7.111 ( 2.507 -15.402 0.020) 15.605 7.203 ( 9.213 -5.178 2.912) 10.962 7.318 ( 8.413 -5.769 -4.349) 11.089 7.469 ( -3.140 -1.130 -4.539) 5.634 7.553 ( 10.346 3.256 3.675) 11.452 7.622 ( 5.105 3.128 3.277) 6.826 7.691 ( 5.832 -5.417 -2.298) 8.285 7.798 ( -0.552 -3.203 -4.815) 5.810 7.873 ( -2.895 0.651 -5.473) 6.225 7.949 ( 0.301 -1.420 -6.854) 7.006 8.073 ( 5.281 -3.259 -2.179) 6.577 8.215 ( 3.695 -1.423 -1.344) 4.182 8.301 ( -7.822 -1.853 1.269) 8.138 8.323 ( 2.337 -2.046 -0.275) 3.118 8.413 ( 3.269 -2.126 -0.701) 3.962 8.544 ( -2.321 -4.649 3.136) 6.069 8.641 ( -0.052 -0.292 -5.784) 5.792 8.676 ( -12.543 -2.713 -6.086) 14.203 8.848 ( -1.715 -0.907 1.313) 2.343 9.005 ( -8.399 -2.988 -7.855) 11.881 9.108 ( -8.434 2.327 -0.308) 8.754 9.431 ( -6.350 2.954 8.644) 11.126 9.474 ( -4.985 -6.209 -1.254) 8.061 9.676 ( 9.328 1.579 -9.779) 13.606 9.717 ( 3.523 4.380 -4.181) 7.006 9.823 ( 6.674 -0.517 3.719) 7.658 9.882 ( -5.410 0.654 0.104) 5.451 10.136 ( -9.404 4.044 -2.173) 10.465 10.283 ( 2.748 4.458 4.049) 6.619 10.491 ( 10.488 -6.520 -1.140) 12.402 10.850 ( -1.826 10.127 0.340) 10.296 10.911 ( 5.422 6.099 7.462) 11.058 11.068 ( -8.522 0.467 7.953) 11.665 11.090 ( -7.373 -0.442 6.628) 9.924 11.226 ( -6.759 1.626 -0.333) 6.960 11.312 ( 4.926 -6.414 -2.516) 8.470 11.600 ( -4.494 7.176 4.479) 9.579 11.626 ( -0.303 5.118 4.110) 6.570 11.764 ( -6.457 0.728 -0.664) 6.532 11.953 ( -1.700 -0.235 3.074) 3.520 12.042 ( -9.143 -16.173 10.898) 21.539 12.150 ( 0.244 -3.860 2.119) 4.410 12.397 ( 5.473 -0.835 -4.267) 6.990 12.613 ( 0.992 -3.986 -1.289) 4.305 12.754 ( 0.313 6.263 2.415) 6.720 12.964 ( 1.754 3.513 -2.274) 4.538 13.148 ( -2.248 0.717 -3.734) 4.417 13.221 ( -3.163 5.239 1.691) 6.349 13.251 ( 6.370 -3.210 0.148) 7.135 13.354 ( -3.379 1.333 -0.811) 3.722 13.445 ( -5.081 -1.289 -7.746) 9.353 13.545 ( 1.452 -5.135 2.339) 5.827 13.817 ( -4.674 4.276 0.007) 6.335 13.910 ( -4.926 0.584 -1.889) 5.308 15.529 ( -3.043 4.088 -0.609) 5.132 15.545 ( -1.091 0.494 0.533) 1.311 15.631 ( 0.828 -0.741 1.700) 2.031 15.666 ( -2.446 -3.011 2.266) 4.493 16.141 ( 1.820 7.993 2.350) 8.528 16.407 ( 4.633 -4.378 -3.063) 7.072 16.512 ( 6.135 8.216 -5.425) 11.601 16.708 ( 9.866 -1.280 -0.712) 9.974 16.947 ( -4.427 -0.236 3.782) 5.827 17.079 ( -5.182 1.140 -0.815) 5.368 17.221 ( -10.335 6.274 2.309) 12.309 17.627 ( -8.855 -9.476 -2.188) 13.153 18.143 ( 8.029 3.373 -1.014) 8.767 18.303 ( 7.772 11.917 -3.085) 14.558 18.561 ( 6.134 -4.699 -3.166) 8.350 18.810 ( -2.583 14.180 -12.090) 18.812 18.934 ( 0.076 -11.209 -0.527) 11.221 19.124 ( 3.647 10.355 -6.346) 12.681 19.205 ( -7.319 2.358 0.735) 7.725 19.377 ( -0.923 -3.604 -7.939) 8.767 19.687 ( 1.353 10.032 -2.313) 10.384 19.855 ( 1.238 6.895 -4.684) 8.427 19.882 ( 0.418 7.205 2.529) 7.647 20.071 ( 4.689 -2.190 -5.502) 7.553 20.189 ( 3.776 -8.397 1.509) 9.330 20.508 ( -7.823 -15.912 2.277) 17.877 20.659 ( 6.535 12.083 11.939) 18.200 20.922 ( -2.661 2.192 5.947) 6.874 21.050 ( -1.248 -6.793 0.427) 6.920 21.338 ( 5.155 -7.496 18.934) 21.007 21.445 ( 2.760 5.633 1.589) 6.471 21.893 ( 3.610 -8.209 2.277) 9.252 22.072 ( 0.557 1.562 4.709) 4.993 22.110 ( 1.562 0.457 -0.398) 1.676 22.311 ( 2.002 3.447 1.360) 4.212 22.392 ( 0.965 -0.480 0.622) 1.244 22.634 ( -0.370 1.718 1.288) 2.179 22.712 ( -0.157 1.571 2.624) 3.062 22.800 ( 2.426 -0.295 0.387) 2.475 22.856 ( -1.665 2.746 7.521) 8.178 22.919 ( -2.877 -4.374 -0.230) 5.240 23.042 ( -5.168 -3.700 3.601) 7.305 23.342 ( 4.136 4.966 -3.532) 7.365 23.489 ( 4.427 -0.825 -3.144) 5.492 23.727 ( 6.718 6.693 -0.969) 9.533 23.855 ( 0.723 -0.647 -1.161) 1.512 24.108 ( -5.616 2.422 1.499) 6.297 24.174 ( 0.091 2.439 -3.486) 4.256 24.257 ( 4.070 -1.873 -0.702) 4.535 24.386 ( -0.604 -9.892 -1.114) 9.973 24.558 ( 2.377 0.834 -1.013) 2.715 24.732 ( 5.395 -5.899 -6.951) 10.594 24.835 ( 2.855 3.404 -4.523) 6.340 24.992 ( 2.151 -4.241 -0.246) 4.762 25.046 ( 1.061 -0.520 -1.982) 2.308 25.119 ( -2.380 -3.824 -2.379) 5.094 25.411 ( 3.112 3.897 2.459) 5.560 25.527 ( 4.610 -1.308 -1.827) 5.128 25.577 ( 0.463 4.426 5.693) 7.226 25.761 ( 3.277 -1.392 7.833) 8.605 25.971 ( -7.410 1.350 -0.236) 7.536 26.055 ( -8.682 -1.627 2.024) 9.062 26.215 ( -8.187 6.744 -3.363) 11.127 26.659 ( -6.944 -12.894 -8.092) 16.732 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -15.455 -15.615 18.644) 28.814 1.480 ( -15.455 15.615 18.644) 28.814 2.197 ( 4.937 -12.234 15.520) 20.369 2.197 ( 4.937 12.234 15.520) 20.369 2.339 ( 4.743 -14.787 -4.936) 16.295 2.339 ( 4.743 14.787 -4.936) 16.295 2.777 ( 4.929 -2.488 1.385) 5.692 2.777 ( 4.929 2.488 1.385) 5.692 3.166 ( -6.504 -9.000 3.147) 11.542 3.166 ( -6.504 9.000 3.147) 11.542 3.352 ( 1.297 -4.279 -3.776) 5.852 3.352 ( 1.297 4.279 -3.776) 5.852 3.559 ( 9.522 -11.434 1.369) 14.943 3.559 ( 9.522 11.434 1.369) 14.943 3.847 ( -4.070 -8.333 2.154) 9.521 3.847 ( -4.070 8.333 2.154) 9.521 3.886 ( -7.298 -10.095 -1.036) 12.500 3.886 ( -7.298 10.095 -1.036) 12.500 4.277 ( -0.636 -14.053 -3.054) 14.395 4.277 ( -0.636 14.053 -3.054) 14.395 4.393 ( 1.798 -1.629 -2.407) 3.418 4.393 ( 1.798 1.629 -2.407) 3.418 4.597 ( 3.315 -12.351 -0.509) 12.799 4.597 ( 3.315 12.351 -0.509) 12.799 4.927 ( 1.110 -1.318 -8.285) 8.462 4.927 ( 1.110 1.318 -8.285) 8.462 5.041 ( 3.927 -7.724 -0.586) 8.685 5.041 ( 3.927 7.724 -0.586) 8.685 5.109 ( -1.079 -3.263 -5.842) 6.778 5.109 ( -1.079 3.263 -5.842) 6.778 5.358 ( -0.912 -6.811 1.391) 7.011 5.358 ( -0.912 6.811 1.391) 7.011 5.543 ( -2.734 -7.594 -1.508) 8.211 5.543 ( -2.734 7.594 -1.508) 8.211 5.733 ( -1.379 -6.131 0.810) 6.336 5.733 ( -1.379 6.131 0.810) 6.336 5.861 ( -6.187 -7.221 -1.235) 9.589 5.861 ( -6.187 7.221 -1.235) 9.589 5.931 ( 3.598 -2.218 -2.324) 4.824 5.931 ( 3.598 2.218 -2.324) 4.824 6.171 ( -0.635 -8.144 9.236) 12.330 6.171 ( -0.635 8.144 9.236) 12.330 6.362 ( 0.463 -6.573 -0.283) 6.595 6.362 ( 0.463 6.573 -0.283) 6.595 6.488 ( 2.995 -9.323 1.657) 9.931 6.488 ( 2.995 9.323 1.657) 9.931 6.721 ( -2.534 -11.419 8.042) 14.195 6.721 ( -2.534 11.419 8.042) 14.195 6.953 ( 2.242 -6.771 1.494) 7.288 6.953 ( 2.242 6.771 1.494) 7.288 7.218 ( 8.546 -1.935 2.432) 9.093 7.218 ( 8.546 1.935 2.432) 9.093 7.414 ( -3.019 -3.749 -0.718) 4.867 7.414 ( -3.019 3.749 -0.718) 4.867 7.521 ( -8.749 -3.160 -7.626) 12.029 7.521 ( -8.749 3.160 -7.626) 12.029 7.732 ( -3.132 -5.097 3.114) 6.744 7.732 ( -3.132 5.097 3.114) 6.744 7.958 ( 6.159 -6.873 -6.510) 11.293 7.958 ( 6.159 6.873 -6.510) 11.293 8.136 ( 2.134 -2.855 5.404) 6.473 8.136 ( 2.134 2.855 5.404) 6.473 8.332 ( 1.653 -1.228 -2.939) 3.589 8.332 ( 1.653 1.228 -2.939) 3.589 8.519 ( 2.626 -0.241 -1.547) 3.057 8.519 ( 2.626 0.241 -1.547) 3.057 8.566 ( -3.309 -1.553 0.280) 3.666 8.566 ( -3.309 1.553 0.280) 3.666 8.753 ( -3.987 -8.464 -10.198) 13.839 8.753 ( -3.987 8.464 -10.198) 13.839 9.112 ( -2.337 -8.568 -4.639) 10.020 9.112 ( -2.337 8.568 -4.639) 10.020 9.485 ( -2.179 -5.088 -3.763) 6.693 9.485 ( -2.179 5.088 -3.763) 6.693 9.940 ( 0.594 -2.000 -8.238) 8.499 9.940 ( 0.594 2.000 -8.238) 8.499 10.037 ( 5.972 -6.564 6.969) 11.283 10.037 ( 5.972 6.564 6.969) 11.283 10.604 ( 11.717 -10.890 -5.803) 17.016 10.604 ( 11.717 10.890 -5.803) 17.016 10.860 ( -10.212 -4.236 7.387) 13.296 10.860 ( -10.212 4.236 7.387) 13.296 11.013 ( -4.025 -6.798 8.305) 11.462 11.013 ( -4.025 6.798 8.305) 11.462 11.375 ( 12.018 -4.250 1.166) 12.800 11.375 ( 12.018 4.250 1.166) 12.800 11.532 ( -12.087 -6.353 1.402) 13.727 11.532 ( -12.087 6.353 1.402) 13.727 11.717 ( 3.585 -1.440 9.390) 10.153 11.717 ( 3.585 1.440 9.390) 10.153 11.975 ( -5.696 -9.523 7.345) 13.308 11.975 ( -5.696 9.523 7.345) 13.308 12.507 ( 0.833 -6.432 -4.474) 7.879 12.507 ( 0.833 6.432 -4.474) 7.879 12.923 ( 0.895 -6.038 0.752) 6.150 12.923 ( 0.895 6.038 0.752) 6.150 13.188 ( -5.720 -5.875 -2.685) 8.627 13.188 ( -5.720 5.875 -2.685) 8.627 13.294 ( 2.992 -5.000 -3.667) 6.885 13.294 ( 2.992 5.000 -3.667) 6.885 13.500 ( 5.246 -2.935 3.227) 6.823 13.500 ( 5.246 2.935 3.227) 6.823 13.801 ( -2.092 -0.873 -4.767) 5.279 13.801 ( -2.092 0.873 -4.767) 5.279 15.539 ( -0.558 -1.077 -0.242) 1.237 15.539 ( -0.558 1.077 -0.242) 1.237 15.618 ( -0.739 -1.562 0.703) 1.865 15.618 ( -0.739 1.562 0.703) 1.865 16.373 ( 3.741 -8.823 4.687) 10.668 16.373 ( 3.741 8.823 4.687) 10.668 16.746 ( 0.973 -6.852 -0.209) 6.924 16.746 ( 0.973 6.852 -0.209) 6.924 16.978 ( -0.161 -6.799 -1.624) 6.992 16.978 ( -0.161 6.799 -1.624) 6.992 17.252 ( -2.157 -13.405 -2.189) 13.753 17.252 ( -2.157 13.405 -2.189) 13.753 18.428 ( 4.278 -12.428 1.310) 13.209 18.428 ( 4.278 12.428 1.310) 13.209 18.691 ( -1.970 -10.267 -2.654) 10.786 18.691 ( -1.970 10.267 -2.654) 10.786 19.015 ( 0.687 -9.078 -6.287) 11.064 19.015 ( 0.687 9.078 -6.287) 11.064 19.248 ( -2.920 -3.883 -14.013) 14.831 19.248 ( -2.920 3.883 -14.013) 14.831 19.927 ( -0.118 -10.819 -1.373) 10.906 19.927 ( -0.118 10.819 -1.373) 10.906 19.969 ( -2.126 -10.530 -1.884) 10.907 19.969 ( -2.126 10.530 -1.884) 10.907 20.272 ( 6.037 -6.118 6.664) 10.876 20.272 ( 6.037 6.118 6.664) 10.876 20.757 ( -3.430 -5.909 5.505) 8.775 20.757 ( -3.430 5.909 5.505) 8.775 21.258 ( 2.186 -11.383 13.593) 17.864 21.258 ( 2.186 11.383 13.593) 17.864 21.690 ( -2.125 -14.085 2.638) 14.486 21.690 ( -2.125 14.085 2.638) 14.486 22.122 ( 0.247 -1.387 0.632) 1.544 22.122 ( 0.247 1.387 0.632) 1.544 22.387 ( -0.060 -0.988 -1.242) 1.589 22.387 ( -0.060 0.988 -1.242) 1.589 22.722 ( 1.303 -4.835 1.562) 5.245 22.722 ( 1.303 4.835 1.562) 5.245 22.816 ( 1.309 -2.460 1.194) 3.032 22.816 ( 1.309 2.460 1.194) 3.032 22.873 ( -4.256 -3.391 6.352) 8.364 22.873 ( -4.256 3.391 6.352) 8.364 23.508 ( 2.101 -4.535 -1.181) 5.136 23.508 ( 2.101 4.535 -1.181) 5.136 23.892 ( 1.954 -1.702 -2.554) 3.638 23.892 ( 1.954 1.702 -2.554) 3.638 24.119 ( -3.907 -8.838 -0.399) 9.671 24.119 ( -3.907 8.838 -0.399) 9.671 24.257 ( 0.839 -2.951 -0.600) 3.126 24.257 ( 0.839 2.951 -0.600) 3.126 24.640 ( -0.549 -5.990 -5.596) 8.216 24.640 ( -0.549 5.990 -5.596) 8.216 24.916 ( 2.125 -2.584 -3.618) 4.928 24.916 ( 2.125 2.584 -3.618) 4.928 25.084 ( 1.100 -3.438 -1.520) 3.917 25.084 ( 1.100 3.438 -1.520) 3.917 25.579 ( 2.781 -5.569 4.531) 7.699 25.579 ( 2.781 5.569 4.531) 7.699 25.653 ( -5.632 -5.062 4.101) 8.612 25.653 ( -5.632 5.062 4.101) 8.612 25.925 ( -0.155 -3.324 0.707) 3.402 25.925 ( -0.155 3.324 0.707) 3.402 26.312 ( 0.877 -11.814 -7.085) 13.803 26.312 ( 0.877 11.814 -7.085) 13.803 ======================= Grid point 69 (36/64) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 3.665 -16.375 5.590) 17.687 1.365 ( 3.665 16.375 5.590) 17.687 2.164 ( -4.233 -3.824 -0.071) 5.705 2.164 ( -4.233 3.824 -0.071) 5.705 2.573 ( 11.049 -10.539 10.663) 18.624 2.573 ( 11.049 10.539 10.663) 18.624 2.857 ( 2.537 -13.350 8.160) 15.851 2.857 ( 2.537 13.350 8.160) 15.851 3.073 ( -2.699 -0.129 1.351) 3.021 3.073 ( -2.699 0.129 1.351) 3.021 3.419 ( 1.399 -7.976 0.724) 8.130 3.419 ( 1.399 7.976 0.724) 8.130 3.628 ( -3.887 -0.620 1.858) 4.353 3.628 ( -3.887 0.620 1.858) 4.353 3.772 ( 3.757 -1.299 -0.309) 3.987 3.772 ( 3.757 1.299 -0.309) 3.987 3.932 ( 4.135 -7.112 -4.027) 9.160 3.932 ( 4.135 7.112 -4.027) 9.160 4.209 ( -1.470 -10.198 -3.675) 10.939 4.209 ( -1.470 10.198 -3.675) 10.939 4.339 ( -4.333 -1.711 -2.177) 5.143 4.339 ( -4.333 1.711 -2.177) 5.143 4.675 ( 2.171 -11.782 -1.528) 12.077 4.675 ( 2.171 11.782 -1.528) 12.077 4.890 ( -2.771 -5.904 -1.973) 6.813 4.890 ( -2.771 5.904 -1.973) 6.813 5.090 ( 0.662 -7.154 -2.607) 7.643 5.090 ( 0.662 7.154 -2.607) 7.643 5.184 ( 4.224 -10.539 -0.804) 11.382 5.184 ( 4.224 10.539 -0.804) 11.382 5.353 ( 2.631 -3.461 -1.953) 4.766 5.353 ( 2.631 3.461 -1.953) 4.766 5.472 ( -0.376 -8.180 1.906) 8.408 5.472 ( -0.376 8.180 1.906) 8.408 5.687 ( -4.677 -0.698 -4.381) 6.446 5.687 ( -4.677 0.698 -4.381) 6.446 5.733 ( 1.446 -11.728 2.699) 12.121 5.733 ( 1.446 11.728 2.699) 12.121 6.050 ( 0.803 -1.488 4.990) 5.269 6.050 ( 0.803 1.488 4.990) 5.269 6.129 ( -3.279 -8.682 -4.184) 10.180 6.129 ( -3.279 8.682 -4.184) 10.180 6.297 ( -8.438 -0.634 -0.020) 8.462 6.297 ( -8.438 0.634 -0.020) 8.462 6.492 ( -0.524 -4.200 7.717) 8.802 6.492 ( -0.524 4.200 7.717) 8.802 6.721 ( 2.280 -9.830 1.152) 10.156 6.721 ( 2.280 9.830 1.152) 10.156 6.918 ( -11.189 -6.475 6.726) 14.573 6.918 ( -11.189 6.475 6.726) 14.573 7.174 ( -10.068 -4.992 -4.472) 12.095 7.174 ( -10.068 4.992 -4.472) 12.095 7.305 ( -0.175 -1.766 1.983) 2.661 7.305 ( -0.175 1.766 1.983) 2.661 7.547 ( 6.843 -4.510 -3.310) 8.839 7.547 ( 6.843 4.510 -3.310) 8.839 7.682 ( -1.485 -3.160 -3.080) 4.656 7.682 ( -1.485 3.160 -3.080) 4.656 7.994 ( -0.840 -7.424 -11.797) 13.964 7.994 ( -0.840 7.424 -11.797) 13.964 8.186 ( -0.907 -7.694 -1.906) 7.978 8.186 ( -0.907 7.694 -1.906) 7.978 8.280 ( -0.088 -10.656 7.530) 13.048 8.280 ( -0.088 10.656 7.530) 13.048 8.472 ( -4.407 -5.891 5.389) 9.120 8.472 ( -4.407 5.891 5.389) 9.120 8.651 ( 5.829 -2.865 -13.247) 14.754 8.651 ( 5.829 2.865 -13.247) 14.754 8.710 ( 3.717 -7.466 -0.065) 8.340 8.710 ( 3.717 7.466 -0.065) 8.340 9.083 ( -0.272 -5.280 2.992) 6.075 9.083 ( -0.272 5.280 2.992) 6.075 9.581 ( 9.876 -3.312 -14.950) 18.221 9.581 ( 9.876 3.312 -14.950) 18.221 9.917 ( -2.925 -6.976 1.731) 7.760 9.917 ( -2.925 6.976 1.731) 7.760 10.143 ( 0.738 -10.677 4.042) 11.440 10.143 ( 0.738 10.677 4.042) 11.440 10.623 ( -3.368 -10.298 11.899) 16.092 10.623 ( -3.368 10.298 11.899) 16.092 10.806 ( 1.806 -8.851 -10.320) 13.715 10.806 ( 1.806 8.851 -10.320) 13.715 11.023 ( 2.208 -4.425 4.011) 6.367 11.023 ( 2.208 4.425 4.011) 6.367 11.313 ( -7.760 -9.303 5.432) 13.277 11.313 ( -7.760 9.303 5.432) 13.277 11.639 ( 11.715 -5.755 5.453) 14.145 11.639 ( 11.715 5.755 5.453) 14.145 11.752 ( -4.099 -5.319 -3.381) 7.519 11.752 ( -4.099 5.319 -3.381) 7.519 12.000 ( 9.100 -5.382 12.413) 16.305 12.000 ( 9.100 5.382 12.413) 16.305 12.484 ( -2.116 -4.360 -4.083) 6.337 12.484 ( -2.116 4.360 -4.083) 6.337 12.907 ( -5.385 -7.532 1.106) 9.325 12.907 ( -5.385 7.532 1.106) 9.325 13.112 ( 2.005 -7.376 -3.283) 8.319 13.112 ( 2.005 7.376 -3.283) 8.319 13.319 ( -0.142 -1.900 -0.083) 1.907 13.319 ( -0.142 1.900 -0.083) 1.907 13.629 ( 5.364 -5.031 2.488) 7.763 13.629 ( 5.364 5.031 2.488) 7.763 13.816 ( 3.743 -4.489 -5.657) 8.134 13.816 ( 3.743 4.489 -5.657) 8.134 15.521 ( -0.952 -1.726 -0.176) 1.979 15.521 ( -0.952 1.726 -0.176) 1.979 15.626 ( 2.027 -0.805 1.136) 2.459 15.626 ( 2.027 0.805 1.136) 2.459 16.418 ( -1.056 -9.912 0.085) 9.969 16.418 ( -1.056 9.912 0.085) 9.969 16.662 ( -7.818 -3.629 1.242) 8.708 16.662 ( -7.818 3.629 1.242) 8.708 17.016 ( 4.496 -7.427 -0.230) 8.685 17.016 ( 4.496 7.427 -0.230) 8.685 17.343 ( 9.469 -9.594 -1.373) 13.550 17.343 ( 9.469 9.594 -1.373) 13.550 18.390 ( -9.214 -7.888 0.231) 12.131 18.390 ( -9.214 7.888 0.231) 12.131 18.677 ( 3.871 -5.010 -1.383) 6.480 18.677 ( 3.871 5.010 -1.383) 6.480 19.004 ( -4.979 -1.955 -11.905) 13.052 19.004 ( -4.979 1.955 -11.905) 13.052 19.212 ( 5.251 -9.328 -9.872) 14.561 19.212 ( 5.251 9.328 -9.872) 14.561 19.853 ( -4.047 -9.073 -0.091) 9.935 19.853 ( -4.047 9.073 -0.091) 9.935 19.986 ( 1.177 -16.572 0.314) 16.616 19.986 ( 1.177 16.572 0.314) 16.616 20.387 ( 3.448 -12.160 6.902) 14.401 20.387 ( 3.448 12.160 6.902) 14.401 20.730 ( 0.389 -2.792 3.943) 4.847 20.730 ( 0.389 2.792 3.943) 4.847 21.255 ( -5.214 -11.904 10.885) 16.953 21.255 ( -5.214 11.904 10.885) 16.953 21.596 ( -6.526 -14.033 4.563) 16.135 21.596 ( -6.526 14.033 4.563) 16.135 22.118 ( -0.512 -1.603 1.333) 2.147 22.118 ( -0.512 1.603 1.333) 2.147 22.366 ( -1.614 -0.796 -1.770) 2.524 22.366 ( -1.614 0.796 -1.770) 2.524 22.747 ( 0.818 -5.767 1.142) 5.936 22.747 ( 0.818 5.767 1.142) 5.936 22.810 ( -2.349 -0.736 5.051) 5.619 22.810 ( -2.349 0.736 5.051) 5.619 22.877 ( 3.745 -6.140 1.036) 7.266 22.877 ( 3.745 6.140 1.036) 7.266 23.513 ( -1.326 -4.019 0.732) 4.295 23.513 ( -1.326 4.019 0.732) 4.295 23.863 ( -5.130 -1.064 -1.458) 5.438 23.863 ( -5.130 1.064 -1.458) 5.438 24.072 ( 1.001 -7.650 -3.568) 8.501 24.072 ( 1.001 7.650 -3.568) 8.501 24.257 ( -0.249 -2.971 -0.597) 3.040 24.257 ( -0.249 2.971 -0.597) 3.040 24.599 ( -1.649 -6.077 -3.594) 7.250 24.599 ( -1.649 6.077 -3.594) 7.250 24.936 ( -2.072 -0.366 -3.047) 3.703 24.936 ( -2.072 0.366 -3.047) 3.703 25.107 ( 1.984 -4.777 -2.494) 5.743 25.107 ( 1.984 4.777 -2.494) 5.743 25.507 ( -5.320 -1.402 0.123) 5.503 25.507 ( -5.320 1.402 0.123) 5.503 25.610 ( -1.044 -3.352 8.146) 8.870 25.610 ( -1.044 3.352 8.146) 8.870 26.003 ( 6.943 -4.846 -0.458) 8.479 26.003 ( 6.943 4.846 -0.458) 8.479 26.409 ( 6.963 -10.709 -5.443) 13.885 26.409 ( 6.963 10.709 -5.443) 13.885 ======================= Grid point 71 (37/64) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 11.761 -14.172 -6.910) 19.670 1.567 ( 11.761 14.172 -6.910) 19.670 2.123 ( 2.300 -2.803 -5.488) 6.578 2.123 ( 2.300 2.803 -5.488) 6.578 2.760 ( 5.405 -6.455 2.648) 8.825 2.760 ( 5.405 6.455 2.648) 8.825 2.878 ( -4.291 -8.562 3.685) 10.262 2.878 ( -4.291 8.562 3.685) 10.262 3.119 ( 7.419 -6.163 8.034) 12.553 3.119 ( 7.419 6.163 8.034) 12.553 3.344 ( -7.426 -11.273 7.981) 15.682 3.344 ( -7.426 11.273 7.981) 15.682 3.545 ( -3.475 -4.898 1.411) 6.170 3.545 ( -3.475 4.898 1.411) 6.170 3.745 ( -9.473 -9.949 -7.134) 15.479 3.745 ( -9.473 9.949 -7.134) 15.479 4.003 ( 9.271 -10.203 0.998) 13.822 4.003 ( 9.271 10.203 0.998) 13.822 4.247 ( 2.191 -6.578 3.059) 7.578 4.247 ( 2.191 6.578 3.059) 7.578 4.370 ( 3.515 -9.371 6.382) 11.870 4.370 ( 3.515 9.371 6.382) 11.870 4.628 ( -3.575 -10.772 -0.960) 11.390 4.628 ( -3.575 10.772 -0.960) 11.390 4.835 ( -2.281 -10.132 -1.757) 10.533 4.835 ( -2.281 10.132 -1.757) 10.533 5.141 ( 5.950 -7.686 1.591) 9.849 5.141 ( 5.950 7.686 1.591) 9.849 5.227 ( 1.625 -8.188 -0.246) 8.352 5.227 ( 1.625 8.188 -0.246) 8.352 5.412 ( -0.661 -3.563 5.034) 6.203 5.412 ( -0.661 3.563 5.034) 6.203 5.489 ( -0.299 -9.063 -10.662) 13.997 5.489 ( -0.299 9.063 -10.662) 13.997 5.669 ( 3.574 -6.581 -2.299) 7.834 5.669 ( 3.574 6.581 -2.299) 7.834 5.815 ( 1.639 -15.051 1.414) 15.206 5.815 ( 1.639 15.051 1.414) 15.206 5.906 ( -10.181 -9.441 0.508) 13.895 5.906 ( -10.181 9.441 0.508) 13.895 6.079 ( -4.219 -4.263 -5.514) 8.148 6.079 ( -4.219 4.263 -5.514) 8.148 6.137 ( 0.786 -0.281 0.876) 1.210 6.137 ( 0.786 0.281 0.876) 1.210 6.478 ( -6.063 -4.363 6.377) 9.822 6.478 ( -6.063 4.364 6.377) 9.822 6.637 ( -7.069 -6.834 0.729) 9.859 6.637 ( -7.069 6.834 0.729) 9.859 6.783 ( 1.203 -9.362 -1.193) 9.514 6.783 ( 1.203 9.362 -1.193) 9.514 7.025 ( -4.250 -6.520 4.740) 9.112 7.025 ( -4.250 6.520 4.740) 9.112 7.239 ( -6.041 -2.813 -0.167) 6.666 7.239 ( -6.041 2.813 -0.167) 6.666 7.585 ( -3.983 -4.160 -2.740) 6.378 7.585 ( -3.983 4.160 -2.740) 6.378 7.694 ( 4.967 -2.070 -13.073) 14.137 7.694 ( 4.967 2.070 -13.073) 14.137 8.013 ( 2.675 -14.732 -8.719) 17.327 8.013 ( 2.675 14.732 -8.719) 17.327 8.126 ( -0.224 -9.439 -0.789) 9.475 8.126 ( -0.224 9.439 -0.789) 9.475 8.379 ( 4.158 -10.519 7.633) 13.646 8.379 ( 4.158 10.519 7.633) 13.646 8.408 ( -0.933 -6.886 6.797) 9.720 8.408 ( -0.933 6.886 6.797) 9.720 8.664 ( 0.713 -6.237 -12.778) 14.237 8.664 ( 0.713 6.237 -12.778) 14.237 8.916 ( 9.115 -2.311 3.395) 9.998 8.916 ( 9.115 2.311 3.395) 9.998 9.102 ( 2.260 -6.501 0.334) 6.891 9.102 ( 2.260 6.501 0.334) 6.891 9.660 ( -1.849 -2.581 -4.768) 5.729 9.660 ( -1.849 2.581 -4.768) 5.729 9.831 ( -3.978 -10.217 0.007) 10.965 9.831 ( -3.978 10.217 0.007) 10.965 10.148 ( 0.549 -6.423 6.084) 8.864 10.148 ( 0.549 6.423 6.084) 8.864 10.624 ( -3.849 -8.049 11.553) 14.597 10.624 ( -3.849 8.049 11.553) 14.597 10.773 ( 0.288 -6.698 -9.971) 12.015 10.773 ( 0.288 6.698 -9.971) 12.015 11.139 ( 9.233 -3.131 -3.314) 10.297 11.139 ( 9.233 3.131 -3.314) 10.297 11.226 ( -1.997 -7.577 5.854) 9.781 11.226 ( -1.997 7.577 5.854) 9.781 11.610 ( -5.179 -9.879 -0.949) 11.194 11.610 ( -5.179 9.879 -0.949) 11.194 11.922 ( 10.644 -9.413 2.132) 14.368 11.922 ( 10.644 9.413 2.132) 14.368 12.198 ( 4.350 -3.537 7.681) 9.510 12.198 ( 4.350 3.537 7.681) 9.510 12.379 ( -6.543 -4.620 1.500) 8.149 12.379 ( -6.543 4.620 1.500) 8.149 12.822 ( -0.403 -3.594 -1.236) 3.822 12.822 ( -0.403 3.594 -1.236) 3.822 13.167 ( 2.072 -10.241 -3.145) 10.912 13.167 ( 2.072 10.241 -3.145) 10.912 13.315 ( -0.241 -3.147 2.922) 4.301 13.315 ( -0.241 3.147 2.922) 4.301 13.709 ( 1.486 -6.604 -2.350) 7.165 13.709 ( 1.486 6.604 -2.350) 7.165 13.892 ( 3.616 -4.580 -0.965) 5.915 13.892 ( 3.616 4.580 -0.965) 5.915 15.518 ( 0.822 -1.478 1.464) 2.237 15.518 ( 0.822 1.478 1.464) 2.237 15.726 ( 6.887 -0.535 2.011) 7.195 15.726 ( 6.887 0.535 2.011) 7.195 16.314 ( -7.445 -6.623 -7.502) 12.473 16.314 ( -7.445 6.623 -7.502) 12.473 16.489 ( -7.482 -5.220 0.743) 9.153 16.489 ( -7.482 5.220 0.743) 9.153 17.147 ( 6.289 -5.367 2.230) 8.563 17.147 ( 6.289 5.367 2.230) 8.563 17.566 ( 9.953 -8.319 1.778) 13.093 17.566 ( 9.953 8.319 1.778) 13.093 18.157 ( -10.106 -5.672 -2.831) 11.930 18.157 ( -10.106 5.672 -2.831) 11.930 18.731 ( -3.542 -3.189 -10.495) 11.527 18.731 ( -3.542 3.189 -10.495) 11.527 18.884 ( 1.913 -4.175 -2.876) 5.419 18.884 ( 1.913 4.175 -2.876) 5.419 19.354 ( 7.721 -8.407 -8.620) 14.304 19.354 ( 7.721 8.407 -8.620) 14.304 19.775 ( -3.375 -7.434 -0.768) 8.201 19.775 ( -3.375 7.434 -0.768) 8.201 19.984 ( -1.913 -16.471 2.112) 16.716 19.984 ( -1.913 16.471 2.112) 16.716 20.463 ( 3.399 -18.308 5.382) 19.383 20.463 ( 3.399 18.308 5.382) 19.383 20.771 ( 0.800 -7.444 7.820) 10.826 20.771 ( 0.800 7.444 7.820) 10.826 21.101 ( -8.082 -15.123 4.247) 17.665 21.101 ( -8.082 15.123 4.247) 17.665 21.471 ( -5.926 -11.552 8.426) 15.477 21.471 ( -5.926 11.552 8.426) 15.477 22.114 ( -0.160 -1.657 1.961) 2.572 22.114 ( -0.160 1.657 1.961) 2.572 22.324 ( -1.594 -2.155 -2.513) 3.674 22.324 ( -1.594 2.155 -2.513) 3.674 22.741 ( -1.627 -3.051 3.115) 4.653 22.741 ( -1.627 3.051 3.115) 4.653 22.811 ( 1.509 -4.804 0.065) 5.036 22.811 ( 1.509 4.804 0.065) 5.036 22.960 ( 3.630 -8.186 1.506) 9.081 22.960 ( 3.630 8.186 1.506) 9.081 23.465 ( -3.418 -2.441 1.621) 4.502 23.465 ( -3.418 2.441 1.621) 4.502 23.734 ( -4.926 -4.492 -0.403) 6.679 23.734 ( -4.926 4.492 -0.403) 6.679 24.111 ( 2.478 -2.530 -8.065) 8.809 24.111 ( 2.478 2.530 -8.065) 8.809 24.267 ( 1.540 -0.875 1.313) 2.205 24.267 ( 1.540 0.875 1.313) 2.205 24.572 ( -0.490 -5.998 -1.259) 6.148 24.572 ( -0.490 5.998 -1.259) 6.148 24.831 ( -5.965 -2.195 0.765) 6.402 24.831 ( -5.965 2.195 0.765) 6.402 25.138 ( 1.288 -3.988 -6.442) 7.686 25.138 ( 1.288 3.988 -6.442) 7.686 25.444 ( -1.281 -4.007 -1.684) 4.531 25.444 ( -1.281 4.007 -1.684) 4.531 25.612 ( -0.032 -3.614 8.783) 9.497 25.612 ( -0.032 3.614 8.783) 9.497 26.160 ( 6.585 -5.375 -0.826) 8.540 26.160 ( 6.585 5.375 -0.826) 8.540 26.520 ( 3.847 -7.890 -3.363) 9.401 26.520 ( 3.847 7.890 -3.363) 9.401 ======================= Grid point 73 (38/64) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.824 -6.129 -10.827) 12.758 1.712 ( 2.824 6.129 -10.827) 12.758 2.249 ( 8.560 -4.527 -8.174) 12.672 2.249 ( 8.560 4.527 -8.174) 12.672 2.675 ( -9.559 -7.774 -4.083) 12.980 2.675 ( -9.559 7.774 -4.083) 12.980 2.854 ( -0.922 -5.493 -3.152) 6.400 2.854 ( -0.922 5.493 -3.152) 6.400 3.204 ( -2.806 -5.654 8.708) 10.755 3.204 ( -2.806 5.654 8.708) 10.755 3.261 ( -0.294 -3.796 6.135) 7.220 3.261 ( -0.294 3.796 6.135) 7.220 3.509 ( -0.056 -2.762 5.175) 5.866 3.509 ( -0.056 2.762 5.175) 5.866 3.670 ( 4.301 -8.605 8.742) 12.999 3.670 ( 4.301 8.605 8.742) 12.999 4.062 ( -7.071 -6.016 3.347) 9.869 4.062 ( -7.071 6.016 3.347) 9.869 4.320 ( 1.293 -4.132 6.119) 7.496 4.320 ( 1.293 4.132 6.119) 7.496 4.412 ( 6.165 -9.907 5.237) 12.789 4.412 ( 6.165 9.907 5.237) 12.789 4.649 ( 1.739 -6.720 -4.352) 8.193 4.649 ( 1.739 6.720 -4.352) 8.193 4.779 ( -1.381 -12.948 1.260) 13.082 4.779 ( -1.381 12.948 1.260) 13.082 5.196 ( -3.551 -5.966 -4.334) 8.184 5.196 ( -3.551 5.966 -4.334) 8.184 5.274 ( -0.480 -8.355 5.473) 9.999 5.274 ( -0.479 8.355 5.473) 9.999 5.322 ( -5.100 -8.400 -2.348) 10.104 5.322 ( -5.100 8.400 -2.348) 10.104 5.452 ( -2.376 -10.263 -3.808) 11.202 5.452 ( -2.376 10.263 -3.808) 11.202 5.658 ( 2.459 -5.222 0.786) 5.825 5.658 ( 2.459 5.222 0.786) 5.825 5.742 ( -2.389 -0.833 -2.449) 3.521 5.742 ( -2.389 0.833 -2.449) 3.521 5.963 ( 8.684 -2.901 -7.569) 11.879 5.963 ( 8.684 2.901 -7.569) 11.879 6.040 ( 0.873 -2.327 -2.243) 3.349 6.040 ( 0.873 2.327 -2.244) 3.349 6.156 ( 0.225 -4.356 -1.757) 4.702 6.156 ( 0.225 4.356 -1.757) 4.702 6.425 ( 2.806 -7.497 4.357) 9.114 6.425 ( 2.806 7.497 4.357) 9.115 6.584 ( 0.703 -7.115 3.675) 8.039 6.584 ( 0.703 7.115 3.675) 8.039 6.811 ( 0.419 -7.748 -2.287) 8.089 6.811 ( 0.419 7.748 -2.287) 8.089 6.939 ( -6.146 -8.883 8.443) 13.710 6.939 ( -6.146 8.883 8.443) 13.710 7.159 ( 1.094 -7.614 -1.212) 7.787 7.159 ( 1.094 7.614 -1.212) 7.787 7.518 ( -0.745 -4.475 -5.695) 7.281 7.518 ( -0.745 4.475 -5.695) 7.281 7.775 ( 4.928 -3.246 -11.505) 12.930 7.775 ( 4.928 3.246 -11.505) 12.930 7.930 ( -5.788 -11.916 -8.635) 15.813 7.930 ( -5.788 11.916 -8.635) 15.813 8.215 ( 2.621 -6.474 8.422) 10.941 8.215 ( 2.621 6.474 8.422) 10.941 8.365 ( -4.146 -11.715 -6.441) 13.997 8.365 ( -4.146 11.715 -6.441) 13.997 8.488 ( 3.971 -7.367 6.435) 10.557 8.488 ( 3.971 7.367 6.435) 10.557 8.654 ( -0.719 -4.683 -2.743) 5.475 8.654 ( -0.719 4.683 -2.743) 5.475 8.984 ( 3.549 -6.562 -8.244) 11.118 8.984 ( 3.549 6.562 -8.244) 11.118 9.261 ( 7.366 -1.112 8.876) 11.588 9.261 ( 7.366 1.112 8.876) 11.588 9.607 ( -1.982 -4.794 2.554) 5.783 9.607 ( -1.982 4.794 2.554) 5.783 9.731 ( -4.720 -3.878 2.446) 6.580 9.731 ( -4.720 3.878 2.446) 6.580 10.130 ( -3.953 -12.475 -1.489) 13.170 10.130 ( -3.953 12.475 -1.489) 13.170 10.511 ( -4.734 -6.615 3.325) 8.788 10.511 ( -4.734 6.615 3.325) 8.788 10.814 ( 2.491 -8.092 -5.488) 10.089 10.814 ( 2.491 8.092 -5.488) 10.089 11.170 ( -1.687 -9.463 8.377) 12.750 11.170 ( -1.687 9.463 8.377) 12.750 11.372 ( 5.080 -3.557 -3.035) 6.904 11.372 ( 5.080 3.557 -3.035) 6.904 11.557 ( 4.078 -4.059 -3.982) 6.998 11.557 ( 4.078 4.059 -3.982) 6.998 12.009 ( -6.905 -3.062 4.786) 8.942 12.009 ( -6.905 3.062 4.786) 8.942 12.153 ( 0.585 -2.775 -1.127) 3.052 12.153 ( 0.585 2.775 -1.127) 3.052 12.387 ( 1.896 -7.443 11.014) 13.428 12.387 ( 1.896 7.443 11.014) 13.428 12.830 ( 0.132 -2.841 -3.200) 4.281 12.830 ( 0.132 2.841 -3.200) 4.281 13.200 ( 1.981 -7.547 -3.656) 8.617 13.200 ( 1.981 7.547 -3.656) 8.617 13.314 ( -0.328 -4.609 4.582) 6.507 13.314 ( -0.328 4.609 4.582) 6.507 13.679 ( -3.226 -6.197 -4.334) 8.221 13.679 ( -3.226 6.197 -4.334) 8.221 13.954 ( 1.808 -0.386 1.073) 2.137 13.954 ( 1.808 0.386 1.073) 2.137 15.556 ( 1.855 -1.384 4.147) 4.749 15.556 ( 1.855 1.384 4.147) 4.749 15.830 ( -1.754 -1.298 2.619) 3.409 15.830 ( -1.754 1.298 2.619) 3.409 16.194 ( 1.804 -4.787 -8.400) 9.835 16.194 ( 1.804 4.787 -8.400) 9.835 16.372 ( -2.913 -6.284 -3.611) 7.811 16.372 ( -2.913 6.284 -3.611) 7.811 17.218 ( -1.199 -3.320 2.708) 4.449 17.218 ( -1.199 3.320 2.708) 4.449 17.697 ( 0.907 -10.128 3.874) 10.882 17.697 ( 0.907 10.128 3.874) 10.882 18.041 ( 0.493 -9.719 -3.529) 10.351 18.041 ( 0.493 9.719 -3.529) 10.351 18.597 ( -2.894 -8.624 -13.906) 16.617 18.597 ( -2.894 8.624 -13.906) 16.617 19.015 ( 7.687 -10.785 1.088) 13.289 19.015 ( 7.687 10.785 1.088) 13.289 19.448 ( 0.598 -4.080 -6.884) 8.025 19.448 ( 0.598 4.080 -6.884) 8.025 19.719 ( -0.278 -10.090 -2.110) 10.312 19.719 ( -0.278 10.090 -2.110) 10.312 19.928 ( -2.279 -6.052 -2.961) 7.113 19.928 ( -2.279 6.052 -2.961) 7.113 20.517 ( -3.024 -11.960 7.324) 14.347 20.517 ( -3.024 11.960 7.324) 14.347 20.728 ( -2.150 -2.081 10.107) 10.540 20.728 ( -2.150 2.081 10.107) 10.540 21.066 ( 2.501 -12.319 4.564) 13.373 21.066 ( 2.501 12.319 4.564) 13.373 21.401 ( -0.829 -8.206 7.328) 11.033 21.401 ( -0.829 8.206 7.328) 11.033 22.112 ( -0.510 -0.884 1.932) 2.186 22.112 ( -0.510 0.884 1.932) 2.186 22.305 ( 0.497 -2.854 -2.633) 3.914 22.305 ( 0.497 2.854 -2.633) 3.914 22.710 ( -1.598 -2.044 2.180) 3.389 22.710 ( -1.598 2.044 2.180) 3.389 22.841 ( 0.985 -5.128 -0.663) 5.264 22.841 ( 0.985 5.128 -0.663) 5.264 23.026 ( 1.892 -8.506 2.568) 9.084 23.026 ( 1.892 8.506 2.568) 9.084 23.385 ( -3.544 -3.828 0.663) 5.259 23.385 ( -3.544 3.828 0.663) 5.259 23.686 ( 0.274 -5.064 -0.620) 5.109 23.686 ( 0.274 5.064 -0.620) 5.109 24.139 ( 1.960 -0.917 -7.535) 7.839 24.139 ( 1.960 0.917 -7.535) 7.839 24.314 ( 1.691 -0.104 1.238) 2.099 24.314 ( 1.691 0.104 1.238) 2.099 24.559 ( -0.886 -1.955 0.027) 2.147 24.559 ( -0.886 1.955 0.027) 2.147 24.752 ( -0.479 -2.871 1.626) 3.334 24.752 ( -0.479 2.871 1.626) 3.334 25.139 ( 0.110 -3.090 -7.826) 8.415 25.139 ( 0.110 3.090 -7.826) 8.415 25.421 ( -0.790 -3.968 -1.334) 4.260 25.421 ( -0.790 3.968 -1.334) 4.260 25.633 ( 0.341 -4.045 8.034) 9.001 25.633 ( 0.341 4.045 8.034) 9.001 26.234 ( 0.045 -5.731 -1.469) 5.916 26.234 ( 0.045 5.731 -1.469) 5.916 26.561 ( 0.654 -6.163 -1.902) 6.483 26.561 ( 0.654 6.163 -1.902) 6.483 ======================= Grid point 75 (39/64) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.240 -7.719 -8.763) 11.681 1.696 ( -0.240 7.719 -8.763) 11.681 2.313 ( -4.522 -9.080 -4.970) 11.296 2.313 ( -4.522 9.080 -4.970) 11.296 2.458 ( -7.085 -10.481 0.137) 12.651 2.458 ( -7.085 10.481 0.137) 12.651 2.879 ( -2.185 -6.426 1.257) 6.902 2.879 ( -2.185 6.426 1.257) 6.902 3.072 ( -3.563 -12.229 7.617) 14.841 3.072 ( -3.563 12.229 7.617) 14.841 3.302 ( 2.561 -4.858 10.733) 12.056 3.302 ( 2.561 4.858 10.733) 12.056 3.558 ( -0.305 -5.314 1.731) 5.598 3.558 ( -0.305 5.314 1.731) 5.598 3.821 ( 5.221 -11.115 0.484) 12.290 3.821 ( 5.221 11.115 0.484) 12.290 3.931 ( 1.238 -4.229 2.573) 5.103 3.931 ( 1.238 4.229 2.573) 5.103 4.328 ( -4.829 -0.886 4.857) 6.906 4.328 ( -4.829 0.886 4.857) 6.906 4.461 ( 0.139 -1.294 0.737) 1.496 4.461 ( 0.139 1.294 0.737) 1.496 4.607 ( -5.017 -7.801 -2.642) 9.644 4.607 ( -5.017 7.801 -2.642) 9.644 4.822 ( 2.158 -12.866 0.683) 13.064 4.822 ( 2.158 12.866 0.683) 13.064 5.104 ( -0.419 -8.123 -9.178) 12.263 5.104 ( -0.419 8.123 -9.178) 12.263 5.142 ( -5.359 -7.740 3.619) 10.086 5.142 ( -5.359 7.740 3.619) 10.086 5.346 ( 4.079 -8.860 6.064) 11.485 5.346 ( 4.079 8.860 6.064) 11.485 5.484 ( 2.741 -1.040 -6.010) 6.687 5.484 ( 2.741 1.040 -6.010) 6.687 5.635 ( -1.112 -2.767 -2.733) 4.045 5.635 ( -1.112 2.767 -2.733) 4.045 5.789 ( 1.934 -3.115 -1.878) 4.119 5.789 ( 1.934 3.115 -1.878) 4.119 6.023 ( 3.067 -10.226 -2.186) 10.897 6.023 ( 3.067 10.226 -2.186) 10.897 6.107 ( 2.087 -6.086 -4.297) 7.736 6.107 ( 2.087 6.086 -4.297) 7.736 6.240 ( 5.102 -10.813 0.985) 11.997 6.240 ( 5.102 10.813 0.985) 11.997 6.510 ( 1.347 -0.987 5.912) 6.143 6.510 ( 1.347 0.987 5.912) 6.143 6.691 ( 4.917 -2.278 1.200) 5.550 6.691 ( 4.917 2.278 1.200) 5.550 6.754 ( 2.219 -4.556 -0.451) 5.088 6.754 ( 2.219 4.556 -0.451) 5.088 6.912 ( 1.807 -4.695 4.604) 6.820 6.912 ( 1.807 4.695 4.604) 6.820 7.258 ( 6.752 -9.736 1.446) 11.936 7.258 ( 6.752 9.736 1.446) 11.936 7.517 ( 1.518 -4.138 -3.821) 5.833 7.517 ( 1.518 4.138 -3.821) 5.833 7.777 ( -3.986 -12.212 -2.926) 13.175 7.777 ( -3.986 12.212 -2.926) 13.175 7.894 ( 4.718 -2.239 -10.834) 12.027 7.894 ( 4.718 2.239 -10.834) 12.027 8.137 ( -5.856 -7.902 -5.395) 11.218 8.137 ( -5.856 7.902 -5.395) 11.218 8.340 ( 2.089 -5.479 3.765) 6.968 8.340 ( 2.089 5.479 3.765) 6.968 8.482 ( -7.196 -6.641 1.123) 9.856 8.482 ( -7.196 6.641 1.123) 9.856 8.639 ( 0.572 -7.945 4.993) 9.400 8.639 ( 0.572 7.945 4.993) 9.400 9.078 ( -0.400 -2.630 -8.463) 8.872 9.078 ( -0.400 2.630 -8.463) 8.872 9.356 ( 3.361 -6.220 5.276) 8.821 9.356 ( 3.361 6.220 5.276) 8.821 9.479 ( -5.003 -3.896 -1.811) 6.594 9.479 ( -5.003 3.896 -1.811) 6.594 9.787 ( 3.333 -6.877 -1.766) 7.843 9.787 ( 3.333 6.877 -1.766) 7.843 10.023 ( -1.256 -12.328 1.642) 12.500 10.023 ( -1.256 12.328 1.642) 12.500 10.440 ( -5.206 -3.982 2.536) 7.028 10.440 ( -5.206 3.982 2.536) 7.028 10.840 ( 3.232 -7.238 -5.587) 9.698 10.840 ( 3.232 7.238 -5.587) 9.698 11.166 ( -0.971 -3.076 5.027) 5.973 11.166 ( -0.971 3.076 5.027) 5.973 11.312 ( -5.915 -7.113 2.890) 9.691 11.312 ( -5.915 7.113 2.890) 9.691 11.716 ( 3.549 -5.028 -2.566) 6.668 11.716 ( 3.549 5.028 -2.566) 6.668 11.881 ( -1.871 -6.531 8.082) 10.558 11.881 ( -1.871 6.531 8.082) 10.558 12.136 ( -4.603 -5.458 -1.068) 7.220 12.136 ( -4.603 5.458 -1.068) 7.220 12.415 ( 0.179 -9.956 8.574) 13.140 12.415 ( 0.179 9.956 8.574) 13.140 12.846 ( 3.118 -5.306 -2.768) 6.748 12.846 ( 3.118 5.306 -2.768) 6.748 13.199 ( -1.696 -5.553 -2.232) 6.221 13.199 ( -1.696 5.553 -2.232) 6.221 13.345 ( 2.130 -5.423 3.180) 6.638 13.345 ( 2.130 5.423 3.180) 6.638 13.567 ( -6.384 -5.867 -5.489) 10.261 13.567 ( -6.384 5.867 -5.489) 10.261 13.960 ( -1.536 -2.119 0.555) 2.675 13.960 ( -1.536 2.119 0.555) 2.675 15.588 ( 0.003 -1.092 3.768) 3.923 15.588 ( 0.003 1.092 3.768) 3.923 15.700 ( -6.626 -2.238 0.866) 7.047 15.700 ( -6.626 2.238 0.866) 7.047 16.259 ( 1.662 -6.554 -6.848) 9.623 16.259 ( 1.662 6.554 -6.848) 9.623 16.433 ( 9.450 -3.793 -1.859) 10.352 16.433 ( 9.450 3.793 -1.859) 10.352 17.129 ( -5.934 -4.740 1.593) 7.760 17.129 ( -5.934 4.740 1.593) 7.760 17.617 ( -8.464 -11.233 2.740) 14.329 17.617 ( -8.464 11.233 2.740) 14.329 18.129 ( 7.514 -10.319 -4.476) 13.527 18.129 ( 7.514 10.319 -4.476) 13.527 18.591 ( 3.172 -13.274 -6.694) 15.201 18.591 ( 3.172 13.274 -6.694) 15.201 19.173 ( 6.528 -7.347 -5.866) 11.446 19.173 ( 6.528 7.347 -5.866) 11.446 19.329 ( -8.291 -10.173 -4.412) 13.845 19.329 ( -8.291 10.173 -4.412) 13.845 19.792 ( 5.867 -11.270 -0.923) 12.739 19.792 ( 5.867 11.270 -0.923) 12.739 19.912 ( 2.045 -2.258 -5.628) 6.399 19.912 ( 2.045 2.258 -5.628) 6.399 20.352 ( -10.090 -15.150 5.936) 19.146 20.352 ( -10.090 15.150 5.936) 19.146 20.801 ( 3.250 -13.009 13.876) 19.297 20.801 ( 3.250 13.009 13.876) 19.297 21.095 ( -0.102 -7.122 4.474) 8.411 21.095 ( -0.102 7.122 4.474) 8.411 21.500 ( 7.731 -11.386 5.576) 14.849 21.500 ( 7.731 11.386 5.576) 14.849 22.102 ( -0.479 -0.567 1.230) 1.437 22.102 ( -0.479 0.567 1.230) 1.437 22.332 ( 2.131 -2.755 -1.724) 3.887 22.332 ( 2.131 2.755 -1.724) 3.887 22.688 ( -0.683 -2.641 1.780) 3.257 22.688 ( -0.683 2.641 1.780) 3.257 22.843 ( -0.727 -4.199 -0.170) 4.265 22.843 ( -0.727 4.199 -0.170) 4.265 23.027 ( -2.584 -6.848 5.210) 8.984 23.027 ( -2.584 6.848 5.210) 8.984 23.362 ( 1.972 -4.540 -2.798) 5.686 23.362 ( 1.972 4.540 -2.798) 5.686 23.730 ( 3.714 -5.086 -0.280) 6.304 23.730 ( 3.714 5.086 -0.280) 6.304 24.174 ( 2.381 -1.110 -4.819) 5.489 24.174 ( 2.381 1.110 -4.819) 5.489 24.298 ( -3.473 -3.686 1.016) 5.165 24.298 ( -3.473 3.686 1.016) 5.165 24.562 ( 1.900 -3.884 -1.823) 4.693 24.562 ( 1.900 3.884 -1.823) 4.693 24.818 ( 5.327 -4.698 0.843) 7.152 24.818 ( 5.327 4.698 0.843) 7.152 25.109 ( -1.786 -2.770 -6.950) 7.692 25.109 ( -1.786 2.770 -6.950) 7.692 25.418 ( 1.169 -3.302 -0.509) 3.540 25.418 ( 1.169 3.302 -0.509) 3.540 25.653 ( 0.245 -4.617 7.735) 9.011 25.653 ( 0.245 4.617 7.735) 9.011 26.161 ( -6.075 -3.802 -0.849) 7.217 26.161 ( -6.075 3.802 -0.849) 7.217 26.533 ( -3.237 -9.662 -3.102) 10.652 26.533 ( -3.237 9.662 -3.102) 10.652 ======================= Grid point 77 (40/64) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -1.799 -17.062 8.025) 18.941 1.718 ( -1.799 17.062 8.025) 18.941 2.103 ( -8.066 -15.743 8.863) 19.785 2.103 ( -8.066 15.743 8.863) 19.785 2.369 ( -3.976 -8.967 0.005) 9.809 2.369 ( -3.976 8.967 0.005) 9.809 2.730 ( -2.663 -5.879 -2.143) 6.801 2.730 ( -2.663 5.879 -2.143) 6.801 3.217 ( 6.433 -14.120 6.847) 16.960 3.217 ( 6.433 14.120 6.847) 16.960 3.335 ( -0.621 -5.136 5.704) 7.700 3.335 ( -0.621 5.136 5.704) 7.700 3.472 ( -3.632 -6.701 -4.564) 8.884 3.472 ( -3.632 6.701 -4.564) 8.884 3.871 ( 0.811 -8.778 -2.820) 9.255 3.871 ( 0.811 8.778 -2.820) 9.255 4.058 ( -0.232 -5.777 4.989) 7.636 4.058 ( -0.232 5.777 4.989) 7.636 4.228 ( -0.095 -9.238 -2.504) 9.572 4.228 ( -0.095 9.238 -2.504) 9.572 4.387 ( -3.442 -12.784 -4.701) 14.050 4.387 ( -3.442 12.784 -4.701) 14.050 4.552 ( 0.406 -8.704 4.649) 9.876 4.552 ( 0.406 8.704 4.649) 9.876 4.867 ( 3.473 -7.758 -1.966) 8.724 4.867 ( 3.473 7.758 -1.966) 8.724 5.073 ( -4.543 -4.366 2.155) 6.659 5.073 ( -4.543 4.366 2.155) 6.659 5.123 ( 2.592 -3.149 -11.132) 11.855 5.123 ( 2.592 3.149 -11.132) 11.855 5.364 ( 0.093 -11.575 -2.944) 11.944 5.364 ( 0.093 11.575 -2.944) 11.944 5.559 ( 0.020 -6.800 -3.770) 7.776 5.559 ( 0.020 6.800 -3.770) 7.776 5.662 ( 6.011 -3.837 5.059) 8.744 5.662 ( 6.011 3.837 5.059) 8.744 5.835 ( 2.317 -6.407 -0.575) 6.837 5.835 ( 2.317 6.407 -0.575) 6.837 6.023 ( -1.751 -5.548 -0.955) 5.896 6.023 ( -1.751 5.548 -0.955) 5.896 6.203 ( -1.006 -8.349 -1.173) 8.490 6.203 ( -1.006 8.349 -1.173) 8.490 6.285 ( 5.642 -10.589 0.567) 12.012 6.285 ( 5.642 10.589 0.567) 12.012 6.446 ( -3.975 -4.516 6.448) 8.818 6.446 ( -3.975 4.516 6.448) 8.818 6.739 ( 0.462 -2.421 7.862) 8.240 6.739 ( 0.462 2.421 7.862) 8.240 6.912 ( 3.771 -6.001 -5.201) 8.791 6.912 ( 3.771 6.001 -5.201) 8.791 7.008 ( 8.590 -5.343 3.543) 10.719 7.008 ( 8.590 5.343 3.543) 10.719 7.384 ( 4.430 -7.263 -3.050) 9.038 7.384 ( 4.430 7.263 -3.050) 9.038 7.619 ( 6.042 -2.802 3.241) 7.407 7.619 ( 6.042 2.802 3.241) 7.407 7.725 ( -0.610 -5.677 -0.796) 5.765 7.725 ( -0.610 5.677 -0.796) 5.765 7.903 ( -0.540 -3.236 -9.760) 10.296 7.903 ( -0.540 3.236 -9.760) 10.296 8.115 ( 1.018 -7.039 0.700) 7.146 8.115 ( 1.018 7.039 0.700) 7.146 8.319 ( -4.150 -3.712 -1.788) 5.848 8.319 ( -4.150 3.712 -1.788) 5.848 8.420 ( 4.538 -5.833 5.823) 9.408 8.420 ( 4.538 5.833 5.823) 9.408 8.626 ( -1.906 -0.090 -4.234) 4.644 8.626 ( -1.906 0.090 -4.234) 4.644 8.922 ( -9.083 -5.502 -2.599) 10.933 8.922 ( -9.083 5.502 -2.599) 10.933 9.230 ( -7.737 -10.410 -6.586) 14.547 9.230 ( -7.737 10.410 -6.586) 14.547 9.623 ( -4.588 -8.573 -1.347) 9.817 9.623 ( -4.588 8.573 -1.347) 9.817 9.736 ( 10.981 -1.595 -5.871) 12.554 9.736 ( 10.981 1.595 -5.871) 12.554 10.120 ( -3.715 -10.039 1.980) 10.886 10.120 ( -3.715 10.039 1.980) 10.886 10.339 ( 6.047 -4.459 1.978) 7.769 10.339 ( 6.047 4.459 1.978) 7.769 10.962 ( 4.344 -1.536 -1.041) 4.724 10.962 ( 4.344 1.536 -1.041) 4.724 11.115 ( -4.211 -2.458 9.037) 10.268 11.115 ( -4.211 2.458 9.037) 10.268 11.213 ( -1.602 -2.510 -2.149) 3.672 11.213 ( -1.602 2.510 -2.149) 3.672 11.676 ( -3.565 -5.173 7.817) 10.029 11.676 ( -3.565 5.173 7.817) 10.029 11.816 ( -10.352 -7.892 4.641) 13.820 11.816 ( -10.352 7.892 4.641) 13.820 12.045 ( -2.235 -6.617 5.850) 9.110 12.045 ( -2.235 6.617 5.850) 9.110 12.462 ( 3.270 -7.533 -1.407) 8.331 12.462 ( 3.270 7.533 -1.407) 8.331 12.920 ( 1.697 -8.023 -0.529) 8.217 12.920 ( 1.697 8.023 -0.529) 8.217 13.177 ( 1.998 -4.410 -1.243) 4.998 13.177 ( 1.998 4.410 -1.243) 4.998 13.351 ( -4.043 -6.997 -2.232) 8.384 13.351 ( -4.043 6.997 -2.232) 8.384 13.444 ( -1.232 -5.222 -1.734) 5.639 13.444 ( -1.232 5.222 -1.734) 5.639 13.892 ( -4.533 -2.619 -1.718) 5.510 13.892 ( -4.533 2.619 -1.718) 5.510 15.559 ( -1.809 -1.309 0.105) 2.235 15.559 ( -1.809 1.309 0.105) 2.235 15.634 ( -0.965 -2.030 1.687) 2.810 15.634 ( -0.965 2.030 1.687) 2.810 16.292 ( 2.782 -7.127 0.010) 7.651 16.292 ( 2.782 7.127 0.010) 7.651 16.634 ( 8.522 -5.034 -1.170) 9.967 16.634 ( 8.522 5.034 -1.170) 9.967 17.023 ( -3.782 -5.766 -0.561) 6.918 17.023 ( -3.782 5.766 -0.561) 6.918 17.406 ( -10.270 -11.850 0.102) 15.681 17.406 ( -10.270 11.850 0.102) 15.681 18.295 ( 7.899 -9.689 -2.706) 12.790 18.295 ( 7.899 9.689 -2.706) 12.790 18.664 ( 3.669 -13.995 -1.384) 14.534 18.664 ( 3.669 13.995 -1.384) 14.534 19.110 ( -7.050 -12.293 -9.501) 17.061 19.110 ( -7.050 12.293 -9.501) 17.061 19.285 ( 1.722 -6.679 -7.844) 10.445 19.285 ( 1.722 6.679 -7.844) 10.445 19.885 ( 3.213 -8.719 -3.998) 10.115 19.885 ( 3.213 8.719 -3.998) 10.115 19.999 ( 3.803 -3.057 0.520) 4.907 19.999 ( 3.803 3.057 0.520) 4.907 20.194 ( -3.532 -12.780 4.292) 13.936 20.194 ( -3.532 12.780 4.292) 13.936 20.824 ( -3.175 -8.040 10.278) 13.430 20.824 ( -3.175 8.040 10.278) 13.430 21.153 ( 4.413 -11.026 9.564) 15.249 21.153 ( 4.413 11.026 9.564) 15.249 21.657 ( 4.764 -13.878 3.822) 15.163 21.657 ( 4.764 13.878 3.822) 15.163 22.106 ( 0.730 -1.089 0.721) 1.496 22.106 ( 0.730 1.089 0.721) 1.496 22.372 ( 1.602 -2.161 -1.124) 2.915 22.372 ( 1.602 2.161 -1.124) 2.915 22.692 ( 0.828 -3.547 1.940) 4.127 22.692 ( 0.828 3.547 1.940) 4.127 22.818 ( -1.215 -2.873 0.381) 3.143 22.818 ( -1.215 2.873 0.381) 3.143 22.957 ( -4.557 -4.788 6.565) 9.317 22.957 ( -4.557 4.788 6.565) 9.317 23.435 ( 4.608 -4.207 -3.351) 7.083 23.435 ( 4.608 4.207 -3.351) 7.083 23.823 ( 4.510 -3.024 -0.907) 5.506 23.823 ( 4.510 3.024 -0.907) 5.506 24.206 ( -3.972 -7.556 0.900) 8.584 24.206 ( -3.972 7.556 0.900) 8.584 24.221 ( 1.919 -2.132 -2.514) 3.815 24.221 ( 1.919 2.132 -2.514) 3.815 24.616 ( 3.036 -5.062 -4.151) 7.216 24.616 ( 3.036 5.062 -4.151) 7.216 24.908 ( 1.600 -4.205 -3.425) 5.654 24.908 ( 1.600 4.205 -3.425) 5.654 25.064 ( -0.149 -1.984 -2.374) 3.098 25.064 ( -0.149 1.984 -2.374) 3.098 25.482 ( 4.681 -3.187 0.673) 5.703 25.482 ( 4.681 3.187 0.673) 5.703 25.679 ( 0.703 -5.562 8.007) 9.775 25.679 ( 0.703 5.562 8.007) 9.775 26.011 ( -6.988 -2.435 -0.335) 7.408 26.011 ( -6.988 2.435 -0.335) 7.408 26.412 ( -6.749 -12.252 -5.661) 15.090 26.412 ( -6.749 12.252 -5.661) 15.090 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 6.881 0.000 30.399) 31.168 1.444 ( 2.223 0.000 29.589) 29.672 2.023 ( -1.864 0.000 -13.805) 13.930 2.035 ( -2.912 0.000 -25.107) 25.275 2.562 ( 19.383 0.000 21.053) 28.617 2.663 ( -13.044 0.000 -0.219) 13.046 2.840 ( -14.443 0.000 -2.065) 14.590 2.868 ( 1.927 0.000 -4.860) 5.228 2.937 ( -4.921 0.000 8.564) 9.877 3.057 ( 2.510 0.000 0.703) 2.606 3.181 ( -3.987 0.000 20.110) 20.501 3.419 ( 7.265 0.000 9.118) 11.659 3.539 ( -2.542 0.000 13.570) 13.806 3.689 ( -0.888 0.000 -0.092) 0.893 3.774 ( 2.639 0.000 -0.706) 2.732 3.878 ( -3.867 0.000 6.586) 7.637 3.983 ( 2.981 0.000 6.209) 6.887 4.003 ( -1.665 0.000 -11.024) 11.149 4.066 ( 2.518 0.000 -9.502) 9.830 4.123 ( -3.348 0.000 -4.971) 5.994 4.264 ( 6.857 0.000 2.845) 7.424 4.352 ( -11.275 0.000 -7.109) 13.329 4.484 ( 7.028 0.000 -1.374) 7.161 4.684 ( -1.494 0.000 -6.469) 6.639 4.788 ( -10.306 0.000 -3.685) 10.945 4.812 ( 14.159 0.000 -1.496) 14.238 4.846 ( 1.138 0.000 6.437) 6.536 4.988 ( 1.176 0.000 -15.334) 15.379 5.050 ( -9.981 0.000 -1.452) 10.086 5.084 ( 0.121 0.000 -2.729) 2.732 5.346 ( 1.087 0.000 -5.959) 6.057 5.361 ( 6.583 0.000 -2.915) 7.200 5.493 ( 5.699 0.000 11.125) 12.500 5.570 ( -3.584 0.000 -1.631) 3.938 5.584 ( 8.739 0.000 -3.059) 9.259 5.648 ( -6.844 0.000 -2.575) 7.313 5.827 ( 2.136 0.000 -3.225) 3.868 5.837 ( -4.805 0.000 -1.236) 4.961 5.908 ( -3.963 0.000 4.256) 5.816 5.994 ( -0.704 0.000 3.212) 3.288 6.255 ( -0.789 0.000 9.615) 9.648 6.345 ( 3.754 0.000 -4.990) 6.244 6.429 ( -6.554 0.000 -1.250) 6.672 6.543 ( 8.888 0.000 4.766) 10.085 6.574 ( -9.149 0.000 0.955) 9.199 6.617 ( -4.654 0.000 -0.832) 4.728 6.655 ( 2.214 0.000 -1.567) 2.712 6.849 ( 4.461 0.000 -4.885) 6.616 7.159 ( 1.086 0.000 9.450) 9.512 7.331 ( -3.737 0.000 7.078) 8.004 7.339 ( -3.231 0.000 14.266) 14.627 7.455 ( 9.668 0.000 -3.675) 10.343 7.498 ( 11.085 0.000 3.517) 11.630 7.548 ( 2.366 0.000 -17.045) 17.208 7.659 ( -5.854 0.000 -5.299) 7.896 7.696 ( -19.690 0.000 -3.089) 19.931 7.743 ( 5.811 0.000 -11.338) 12.740 7.753 ( -15.286 0.000 -5.063) 16.102 7.918 ( 5.488 0.000 -6.415) 8.442 7.950 ( 8.996 0.000 -8.439) 12.335 8.066 ( -1.367 0.000 -4.800) 4.991 8.135 ( 3.885 0.000 -9.077) 9.874 8.242 ( -5.497 0.000 -0.084) 5.498 8.253 ( 0.662 0.000 2.303) 2.396 8.407 ( 1.358 0.000 -0.659) 1.509 8.422 ( 7.964 0.000 -2.727) 8.417 8.776 ( 9.767 0.000 9.290) 13.480 8.940 ( -4.501 0.000 -3.250) 5.552 8.967 ( 4.375 0.000 12.770) 13.498 9.114 ( -7.771 0.000 -2.544) 8.177 9.207 ( -13.530 0.000 2.338) 13.730 9.292 ( 3.139 0.000 -3.166) 4.458 9.680 ( 4.597 0.000 15.004) 15.693 9.711 ( 4.101 0.000 8.436) 9.380 9.815 ( 2.283 0.000 3.585) 4.250 9.865 ( -0.362 0.000 -3.951) 3.967 9.972 ( 0.080 0.000 -0.580) 0.585 10.138 ( 11.879 0.000 -14.439) 18.698 10.486 ( -13.252 0.000 10.608) 16.975 10.517 ( 10.667 0.000 9.723) 14.433 10.605 ( 3.260 0.000 2.095) 3.875 10.621 ( -3.108 0.000 -0.710) 3.188 11.204 ( -1.193 0.000 4.585) 4.738 11.214 ( -5.813 0.000 0.902) 5.882 11.243 ( -7.864 0.000 11.459) 13.898 11.275 ( 2.323 0.000 7.883) 8.218 11.322 ( -4.095 0.000 1.941) 4.532 11.416 ( 4.008 0.000 -4.973) 6.387 11.642 ( -18.306 0.000 -9.890) 20.807 11.672 ( 19.571 0.000 -11.076) 22.488 12.136 ( -5.381 0.000 0.511) 5.405 12.224 ( 5.080 0.000 -6.445) 8.206 12.524 ( 1.131 0.000 -2.748) 2.972 12.549 ( -2.932 0.000 -5.103) 5.885 12.684 ( -6.178 0.000 -1.022) 6.262 12.685 ( 6.374 0.000 -1.474) 6.542 13.160 ( 0.626 0.000 2.704) 2.776 13.170 ( -1.633 0.000 0.197) 1.645 13.307 ( -5.364 0.000 10.810) 12.067 13.413 ( -7.603 0.000 -0.990) 7.668 13.458 ( 14.794 0.000 -0.276) 14.797 13.539 ( -3.416 0.000 -6.637) 7.465 13.744 ( -10.986 0.000 5.404) 12.243 13.834 ( 8.998 0.000 -3.292) 9.582 15.447 ( 2.171 0.000 3.170) 3.842 15.495 ( -2.273 0.000 -1.571) 2.763 15.679 ( 0.229 0.000 5.576) 5.581 15.810 ( -1.484 0.000 -7.433) 7.580 16.103 ( -1.328 0.000 6.336) 6.474 16.138 ( 3.382 0.000 3.784) 5.075 16.484 ( 5.049 0.000 -8.767) 10.117 16.500 ( -4.865 0.000 -9.558) 10.725 17.090 ( 4.254 0.000 12.105) 12.831 17.144 ( -1.453 0.000 9.834) 9.941 17.525 ( -7.336 0.000 0.108) 7.336 17.548 ( -1.414 0.000 -11.214) 11.302 17.651 ( 5.585 0.000 8.607) 10.261 18.005 ( 2.981 0.000 -20.779) 20.992 18.424 ( -1.816 0.000 3.002) 3.508 18.517 ( 0.875 0.000 -5.628) 5.696 18.974 ( 3.296 0.000 6.190) 7.013 19.069 ( 0.102 0.000 -4.806) 4.807 19.325 ( -1.347 0.000 0.244) 1.369 19.402 ( -2.875 0.000 -6.527) 7.132 19.481 ( 2.192 0.000 3.622) 4.234 19.591 ( -0.357 0.000 -6.546) 6.556 19.811 ( 0.750 0.000 3.238) 3.324 19.833 ( 0.738 0.000 1.393) 1.576 20.635 ( 0.832 0.000 6.062) 6.119 20.705 ( 4.855 0.000 -1.382) 5.048 20.778 ( 8.899 0.000 14.043) 16.625 21.008 ( -4.656 0.000 0.807) 4.726 21.092 ( 2.157 0.000 -7.676) 7.973 21.224 ( -4.983 0.000 -9.816) 11.008 21.964 ( -0.412 0.000 3.215) 3.242 21.966 ( -0.318 0.000 6.990) 6.998 22.111 ( 1.953 0.000 6.511) 6.797 22.191 ( -0.579 0.000 1.546) 1.651 22.489 ( -0.165 0.000 7.811) 7.813 22.601 ( -0.285 0.000 -2.409) 2.426 22.660 ( -0.911 0.000 0.921) 1.296 22.699 ( 0.815 0.000 -3.343) 3.441 22.871 ( -3.571 0.000 7.314) 8.140 22.984 ( 0.562 0.000 -3.134) 3.184 22.996 ( 7.387 0.000 4.402) 8.599 23.073 ( -1.979 0.000 -3.516) 4.034 23.171 ( -3.071 0.000 1.523) 3.428 23.256 ( 2.904 0.000 -3.940) 4.895 23.704 ( 4.800 0.000 2.160) 5.264 23.748 ( -3.592 0.000 -2.327) 4.280 24.019 ( -6.163 0.000 3.160) 6.926 24.094 ( 4.984 0.000 -4.083) 6.443 24.513 ( -8.795 0.000 -3.024) 9.301 24.532 ( 4.631 0.000 -4.894) 6.738 24.588 ( 6.780 0.000 2.131) 7.107 24.663 ( -4.486 0.000 -5.304) 6.947 24.835 ( 5.921 0.000 0.326) 5.930 24.897 ( -6.811 0.000 -5.086) 8.500 25.274 ( -0.768 0.000 4.719) 4.781 25.374 ( 0.726 0.000 -5.571) 5.618 25.404 ( -2.811 0.000 6.813) 7.371 25.479 ( -7.037 0.000 5.016) 8.642 25.531 ( 1.930 0.000 -5.835) 6.146 25.569 ( 5.003 0.000 -4.059) 6.443 25.994 ( -6.207 0.000 5.027) 7.987 26.072 ( 5.230 0.000 -3.115) 6.087 26.204 ( 1.001 0.000 15.034) 15.067 26.476 ( -0.492 0.000 -12.201) 12.211 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 15.570 0.000 14.153) 21.041 1.723 ( 18.794 0.000 23.509) 30.098 2.055 ( 7.411 0.000 -13.767) 15.635 2.097 ( 9.757 0.000 -21.166) 23.307 2.345 ( -7.706 0.000 6.534) 10.103 2.598 ( -10.617 0.000 4.417) 11.499 2.706 ( -6.023 0.000 -1.989) 6.343 2.886 ( -1.118 0.000 7.023) 7.112 3.129 ( 5.120 0.000 6.027) 7.908 3.162 ( 20.684 0.000 4.706) 21.212 3.331 ( 9.404 0.000 11.707) 15.016 3.495 ( -3.137 0.000 11.004) 11.442 3.610 ( -8.106 0.000 0.336) 8.113 3.628 ( 8.216 0.000 9.385) 12.474 3.797 ( -0.536 0.000 0.099) 0.545 3.810 ( 6.141 0.000 -3.591) 7.113 3.950 ( -2.335 0.000 0.854) 2.487 4.084 ( 4.693 0.000 2.972) 5.555 4.135 ( 1.467 0.000 -6.154) 6.326 4.189 ( 3.040 0.000 -5.156) 5.986 4.242 ( -0.591 0.000 2.325) 2.399 4.304 ( 1.042 0.000 4.003) 4.137 4.619 ( -6.059 0.000 -12.701) 14.072 4.633 ( 4.751 0.000 -2.104) 5.196 4.720 ( 7.102 0.000 -0.797) 7.146 4.767 ( -8.886 0.000 2.320) 9.183 4.863 ( 5.210 0.000 -6.072) 8.001 4.996 ( 5.074 0.000 6.286) 8.078 5.081 ( -0.061 0.000 1.088) 1.089 5.161 ( 4.076 0.000 -8.315) 9.261 5.319 ( -3.170 0.000 -8.296) 8.881 5.342 ( -11.985 0.000 -3.595) 12.513 5.443 ( 9.181 0.000 -6.835) 11.446 5.602 ( 3.562 0.000 7.170) 8.006 5.631 ( 0.192 0.000 -12.479) 12.480 5.700 ( -8.262 0.000 4.180) 9.259 5.733 ( 3.816 0.000 2.446) 4.532 5.844 ( -0.751 0.000 1.227) 1.439 5.911 ( 3.531 0.000 8.220) 8.946 5.968 ( -1.304 0.000 -0.353) 1.351 6.205 ( -6.584 0.000 -0.067) 6.584 6.264 ( -19.123 0.000 -0.060) 19.123 6.337 ( -0.718 0.000 14.415) 14.433 6.383 ( -1.724 0.000 -1.031) 2.009 6.464 ( -0.976 0.000 5.680) 5.763 6.631 ( -2.809 0.000 4.210) 5.061 6.786 ( 4.062 0.000 -17.017) 17.495 6.881 ( -1.011 0.000 1.638) 1.925 7.028 ( -10.507 0.000 -0.681) 10.529 7.130 ( -24.508 0.000 -5.566) 25.132 7.156 ( -14.702 0.000 -10.395) 18.006 7.281 ( -4.234 0.000 19.050) 19.515 7.383 ( -7.427 0.000 -9.503) 12.061 7.417 ( -5.019 0.000 14.257) 15.115 7.621 ( -1.945 0.000 1.490) 2.450 7.677 ( 0.409 0.000 -9.050) 9.059 7.739 ( -5.463 0.000 -1.745) 5.735 7.741 ( -0.349 0.000 -4.088) 4.103 7.901 ( -4.806 0.000 3.630) 6.023 7.924 ( -3.491 0.000 -6.102) 7.030 8.154 ( 1.089 0.000 -7.857) 7.932 8.162 ( 7.639 0.000 -8.322) 11.297 8.200 ( 5.578 0.000 1.408) 5.753 8.359 ( 8.853 0.000 -7.283) 11.463 8.505 ( 2.955 0.000 -6.744) 7.363 8.615 ( 9.632 0.000 -4.220) 10.516 8.813 ( -9.557 0.000 6.535) 11.578 8.832 ( 0.446 0.000 -10.426) 10.435 8.983 ( 2.072 0.000 13.766) 13.921 9.002 ( -2.061 0.000 -1.131) 2.351 9.204 ( 9.680 0.000 5.774) 11.271 9.222 ( -9.589 0.000 14.269) 17.191 9.791 ( -0.472 0.000 6.250) 6.268 9.883 ( 6.838 0.000 -9.132) 11.408 9.888 ( 4.297 0.000 -7.011) 8.223 9.958 ( 9.586 0.000 -2.221) 9.840 10.084 ( 11.293 0.000 -6.885) 13.227 10.283 ( 5.719 0.000 -11.625) 12.956 10.330 ( -2.314 0.000 4.016) 4.635 10.484 ( -11.735 0.000 10.376) 15.664 10.663 ( 1.231 0.000 1.385) 1.853 10.826 ( 14.129 0.000 14.895) 20.530 11.117 ( 0.709 0.000 5.294) 5.341 11.189 ( -3.035 0.000 5.409) 6.202 11.210 ( 0.886 0.000 3.083) 3.208 11.312 ( -2.324 0.000 -4.623) 5.174 11.378 ( 5.704 0.000 10.480) 11.932 11.467 ( 6.134 0.000 -5.046) 7.943 11.485 ( 5.531 0.000 -1.716) 5.792 11.896 ( -0.622 0.000 0.865) 1.066 12.179 ( 13.106 0.000 -10.527) 16.810 12.304 ( 2.788 0.000 1.636) 3.232 12.411 ( -8.662 0.000 0.504) 8.676 12.455 ( -4.874 0.000 -5.527) 7.369 12.645 ( 0.118 0.000 -2.541) 2.544 12.798 ( 2.906 0.000 1.607) 3.320 13.115 ( -10.358 0.000 -4.434) 11.267 13.186 ( 0.746 0.000 3.839) 3.911 13.216 ( 0.756 0.000 2.171) 2.298 13.253 ( -0.570 0.000 8.277) 8.296 13.524 ( -8.690 0.000 5.256) 10.156 13.604 ( 6.097 0.000 -6.608) 8.991 13.780 ( 11.759 0.000 3.230) 12.194 13.971 ( 3.992 0.000 -0.584) 4.034 15.457 ( -0.064 0.000 -1.603) 1.604 15.492 ( 2.131 0.000 3.724) 4.291 15.709 ( 2.152 0.000 5.611) 6.010 15.765 ( -1.639 0.000 -4.748) 5.023 16.080 ( -1.733 0.000 6.914) 7.128 16.215 ( 2.669 0.000 -1.342) 2.987 16.347 ( -7.118 0.000 -8.742) 11.274 16.498 ( -2.376 0.000 -6.253) 6.689 17.136 ( 1.460 0.000 5.486) 5.677 17.215 ( 2.522 0.000 7.324) 7.746 17.444 ( 0.933 0.000 6.313) 6.382 17.567 ( 2.633 0.000 -7.178) 7.645 17.768 ( 4.152 0.000 4.150) 5.870 18.021 ( 1.734 0.000 -22.349) 22.417 18.304 ( -8.729 0.000 4.697) 9.913 18.427 ( -7.396 0.000 -4.816) 8.826 19.021 ( -0.456 0.000 0.676) 0.816 19.048 ( -0.755 0.000 -6.929) 6.970 19.332 ( 2.319 0.000 6.629) 7.023 19.338 ( -2.194 0.000 -2.220) 3.121 19.520 ( 0.811 0.000 0.411) 0.909 19.548 ( -1.747 0.000 -4.470) 4.799 19.784 ( -3.765 0.000 2.348) 4.437 19.851 ( 0.790 0.000 -2.126) 2.268 20.650 ( -8.346 0.000 -14.196) 16.468 20.777 ( 8.588 0.000 4.588) 9.736 20.826 ( 1.135 0.000 5.192) 5.314 20.915 ( -8.482 0.000 -3.598) 9.214 21.145 ( 2.862 0.000 -5.903) 6.560 21.246 ( 8.643 0.000 3.073) 9.173 21.960 ( -2.122 0.000 9.224) 9.465 21.978 ( 1.210 0.000 3.083) 3.312 22.138 ( -4.893 0.000 -1.255) 5.051 22.143 ( 0.781 0.000 3.327) 3.417 22.476 ( -2.930 0.000 8.446) 8.939 22.539 ( -6.433 0.000 -1.952) 6.723 22.631 ( -2.187 0.000 0.838) 2.342 22.693 ( -0.807 0.000 -0.573) 0.990 22.771 ( -4.484 0.000 3.819) 5.890 22.918 ( -4.430 0.000 1.172) 4.582 23.025 ( -3.847 0.000 7.605) 8.522 23.047 ( -0.449 0.000 -5.039) 5.059 23.248 ( 9.081 0.000 -8.108) 12.173 23.300 ( 2.606 0.000 -1.766) 3.148 23.710 ( -0.566 0.000 -3.861) 3.903 23.801 ( 0.085 0.000 6.781) 6.781 23.931 ( 0.017 0.000 -2.599) 2.599 24.192 ( 4.466 0.000 -1.330) 4.660 24.304 ( -9.087 0.000 0.628) 9.108 24.317 ( -15.927 0.000 2.471) 16.117 24.675 ( 0.863 0.000 1.035) 1.347 24.688 ( -4.748 0.000 -3.270) 5.765 24.719 ( 0.588 0.000 -4.104) 4.146 24.905 ( 0.583 0.000 0.541) 0.795 25.266 ( -1.549 0.000 5.900) 6.100 25.332 ( 0.025 0.000 4.868) 4.868 25.397 ( 1.933 0.000 -4.887) 5.255 25.401 ( -2.207 0.000 6.198) 6.579 25.503 ( -3.359 0.000 -5.214) 6.202 25.556 ( -3.205 0.000 -4.623) 5.625 25.985 ( 5.264 0.000 5.613) 7.695 26.207 ( 8.894 0.000 -3.301) 9.487 26.400 ( 10.221 0.000 15.359) 18.450 26.614 ( 8.774 0.000 -15.694) 17.980 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 5.035 0.000 -1.756) 5.332 2.035 ( 14.037 0.000 -6.968) 15.671 2.214 ( 4.670 0.000 5.887) 7.514 2.335 ( 13.445 0.000 8.490) 15.901 2.401 ( -4.021 0.000 0.283) 4.030 2.581 ( 20.327 0.000 12.863) 24.055 2.667 ( 4.590 0.000 -5.778) 7.379 2.908 ( 1.771 0.000 4.730) 5.051 3.107 ( -5.832 0.000 2.147) 6.215 3.310 ( -2.008 0.000 -13.975) 14.119 3.444 ( -5.986 0.000 10.468) 12.058 3.511 ( 7.862 0.000 -4.194) 8.910 3.589 ( -6.360 0.000 2.575) 6.861 3.640 ( 4.099 0.000 6.577) 7.750 3.898 ( 4.908 0.000 -2.597) 5.552 3.924 ( -0.280 0.000 -8.123) 8.127 3.941 ( -3.265 0.000 5.153) 6.101 4.059 ( -1.705 0.000 10.685) 10.821 4.155 ( -0.636 0.000 4.696) 4.738 4.202 ( 5.508 0.000 0.090) 5.508 4.313 ( 4.355 0.000 -12.309) 13.057 4.369 ( -6.643 0.000 -3.913) 7.709 4.524 ( 5.417 0.000 -1.957) 5.760 4.626 ( -4.584 0.000 4.353) 6.321 4.713 ( 7.079 0.000 5.762) 9.127 4.828 ( -2.042 0.000 6.863) 7.161 4.958 ( -9.681 0.000 -4.549) 10.697 5.055 ( 16.191 0.000 -11.971) 20.136 5.107 ( 2.076 0.000 7.200) 7.494 5.170 ( -3.766 0.000 -15.038) 15.502 5.247 ( 8.206 0.000 8.349) 11.707 5.401 ( 9.750 0.000 -3.342) 10.307 5.563 ( -2.240 0.000 -0.480) 2.291 5.610 ( -2.550 0.000 -4.725) 5.369 5.625 ( -5.486 0.000 7.078) 8.956 5.683 ( 5.369 0.000 -2.627) 5.977 5.731 ( -0.388 0.000 -1.514) 1.563 5.769 ( -5.547 0.000 4.476) 7.128 5.896 ( 4.260 0.000 7.810) 8.896 5.922 ( -0.974 0.000 -2.142) 2.353 6.077 ( -6.640 0.000 3.169) 7.358 6.099 ( 3.451 0.000 -0.322) 3.466 6.271 ( -12.304 0.000 5.967) 13.675 6.347 ( -2.253 0.000 7.543) 7.873 6.422 ( -15.028 0.000 3.753) 15.490 6.480 ( -0.224 0.000 2.830) 2.838 6.675 ( -10.851 0.000 -3.836) 11.509 6.737 ( -11.070 0.000 -0.458) 11.080 6.775 ( -3.079 0.000 -9.235) 9.735 6.879 ( -1.144 0.000 4.161) 4.316 6.946 ( -2.510 0.000 -9.809) 10.125 7.228 ( -3.501 0.000 -10.171) 10.756 7.280 ( -8.142 0.000 11.764) 14.307 7.360 ( -4.297 0.000 6.032) 7.406 7.469 ( -4.650 0.000 -7.628) 8.933 7.525 ( -5.641 0.000 -6.886) 8.902 7.574 ( -4.287 0.000 -0.582) 4.326 7.698 ( -0.468 0.000 -3.750) 3.779 7.931 ( 1.336 0.000 -1.932) 2.349 8.008 ( -1.140 0.000 -5.929) 6.037 8.060 ( 3.812 0.000 0.137) 3.814 8.194 ( -2.710 0.000 -4.463) 5.221 8.330 ( -0.023 0.000 6.514) 6.515 8.469 ( 3.582 0.000 -6.590) 7.501 8.528 ( 1.776 0.000 -5.908) 6.169 8.712 ( 1.611 0.000 1.020) 1.907 8.771 ( 6.463 0.000 -13.067) 14.578 8.844 ( -2.994 0.000 -9.069) 9.550 9.053 ( -4.483 0.000 18.317) 18.858 9.069 ( 2.272 0.000 10.851) 11.086 9.132 ( 10.200 0.000 -0.076) 10.200 9.398 ( 5.632 0.000 3.855) 6.825 9.781 ( 4.414 0.000 8.220) 9.330 9.937 ( 1.782 0.000 -11.841) 11.975 9.996 ( 3.286 0.000 -1.117) 3.470 10.097 ( 3.340 0.000 -5.644) 6.558 10.177 ( -2.657 0.000 -9.302) 9.674 10.197 ( -14.396 0.000 15.528) 21.175 10.428 ( 10.441 0.000 -1.459) 10.543 10.455 ( 11.662 0.000 -5.851) 13.048 10.711 ( 2.073 0.000 3.352) 3.941 10.939 ( -12.993 0.000 3.299) 13.406 11.109 ( -6.926 0.000 12.818) 14.569 11.168 ( 6.208 0.000 3.986) 7.377 11.262 ( 9.660 0.000 3.534) 10.286 11.399 ( -0.340 0.000 6.986) 6.994 11.503 ( 9.793 0.000 3.207) 10.305 11.569 ( -2.147 0.000 -4.558) 5.039 11.578 ( 7.801 0.000 -14.835) 16.761 12.023 ( 12.220 0.000 8.191) 14.711 12.235 ( -6.806 0.000 11.058) 12.984 12.299 ( -6.661 0.000 -10.351) 12.309 12.402 ( 5.026 0.000 3.164) 5.939 12.434 ( 10.131 0.000 -13.579) 16.942 12.621 ( -1.290 0.000 -3.240) 3.488 12.759 ( -5.647 0.000 1.121) 5.757 12.947 ( -3.786 0.000 -2.430) 4.499 13.138 ( -6.038 0.000 0.748) 6.084 13.256 ( -2.841 0.000 7.262) 7.798 13.268 ( 2.350 0.000 -1.215) 2.646 13.473 ( 4.951 0.000 3.748) 6.210 13.720 ( 4.735 0.000 -5.245) 7.066 13.937 ( 1.815 0.000 6.640) 6.884 13.995 ( -0.990 0.000 0.176) 1.005 15.506 ( 4.073 0.000 1.757) 4.436 15.588 ( 6.670 0.000 4.050) 7.804 15.724 ( -1.777 0.000 -2.537) 3.098 15.802 ( 4.970 0.000 2.632) 5.623 16.071 ( -0.107 0.000 6.866) 6.867 16.176 ( -7.095 0.000 -3.192) 7.780 16.187 ( -4.629 0.000 -9.622) 10.678 16.437 ( -1.624 0.000 -1.074) 1.947 17.240 ( 7.052 0.000 2.821) 7.596 17.244 ( 1.840 0.000 1.479) 2.360 17.507 ( 0.091 0.000 10.343) 10.344 17.584 ( -0.628 0.000 -6.172) 6.204 17.843 ( 2.925 0.000 -2.966) 4.165 17.909 ( -8.721 0.000 -6.053) 10.616 18.224 ( 2.603 0.000 -8.925) 9.297 18.245 ( -8.308 0.000 1.079) 8.377 18.966 ( -3.934 0.000 1.446) 4.191 19.021 ( -0.241 0.000 -7.573) 7.577 19.306 ( -0.501 0.000 1.621) 1.697 19.444 ( 6.024 0.000 8.747) 10.621 19.515 ( -0.959 0.000 -5.107) 5.196 19.567 ( 4.962 0.000 0.155) 4.965 19.699 ( -3.979 0.000 7.059) 8.103 19.844 ( -1.061 0.000 -3.736) 3.884 20.348 ( -11.974 0.000 -21.595) 24.692 20.581 ( -17.901 0.000 -13.749) 22.572 20.967 ( 6.222 0.000 8.335) 10.402 21.060 ( 13.881 0.000 14.838) 20.319 21.174 ( 0.403 0.000 -3.628) 3.651 21.476 ( 12.567 0.000 2.664) 12.846 21.884 ( -7.340 0.000 12.710) 14.677 21.966 ( -10.920 0.000 -3.983) 11.623 22.028 ( 2.990 0.000 2.875) 4.149 22.185 ( 3.323 0.000 -0.562) 3.370 22.340 ( -10.315 0.000 1.777) 10.467 22.370 ( -7.645 0.000 6.739) 10.191 22.606 ( 0.305 0.000 1.530) 1.560 22.679 ( -0.546 0.000 0.047) 0.548 22.737 ( -0.081 0.000 3.343) 3.344 22.850 ( -2.410 0.000 2.160) 3.237 22.980 ( -1.486 0.000 1.677) 2.241 23.029 ( -0.057 0.000 -5.821) 5.822 23.382 ( 5.333 0.000 -0.543) 5.360 23.420 ( 8.043 0.000 -6.958) 10.635 23.663 ( -3.189 0.000 -3.086) 4.438 23.695 ( -8.656 0.000 6.749) 10.976 23.972 ( 0.320 0.000 -2.872) 2.890 24.072 ( -5.916 0.000 -1.143) 6.025 24.207 ( 1.354 0.000 2.380) 2.738 24.306 ( 5.101 0.000 0.995) 5.197 24.509 ( -7.656 0.000 -2.506) 8.056 24.626 ( -5.405 0.000 -0.011) 5.405 24.792 ( 3.170 0.000 -1.743) 3.618 24.892 ( -0.921 0.000 -1.323) 1.612 25.279 ( 1.292 0.000 5.500) 5.649 25.331 ( -1.610 0.000 2.403) 2.892 25.375 ( -2.477 0.000 -3.158) 4.014 25.410 ( 1.780 0.000 5.042) 5.347 25.458 ( 0.449 0.000 -5.447) 5.465 25.524 ( 0.377 0.000 -5.175) 5.189 26.146 ( 7.425 0.000 6.775) 10.051 26.413 ( 9.727 0.000 -5.527) 11.188 26.569 ( 2.367 0.000 13.488) 13.694 26.685 ( 1.322 0.000 -12.856) 12.924 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -8.199 0.000 6.236) 10.301 2.064 ( -11.437 0.000 1.320) 11.513 2.287 ( 4.196 0.000 1.881) 4.598 2.327 ( 7.465 0.000 -1.611) 7.636 2.742 ( 14.626 0.000 5.510) 15.629 2.761 ( -0.534 0.000 -6.654) 6.675 2.847 ( -3.346 0.000 0.183) 3.351 3.024 ( -1.936 0.000 -5.126) 5.480 3.090 ( 14.681 0.000 19.137) 24.119 3.216 ( -9.971 0.000 3.140) 10.454 3.278 ( 4.760 0.000 -6.758) 8.266 3.492 ( -13.900 0.000 -19.763) 24.161 3.636 ( 6.374 0.000 5.423) 8.368 3.707 ( 3.007 0.000 2.862) 4.152 3.773 ( -7.991 0.000 5.999) 9.992 3.800 ( -3.972 0.000 0.269) 3.981 3.967 ( 1.141 0.000 7.587) 7.672 4.033 ( -7.060 0.000 4.339) 8.287 4.170 ( 0.803 0.000 0.536) 0.965 4.207 ( -4.105 0.000 -2.661) 4.892 4.260 ( 3.887 0.000 0.898) 3.989 4.426 ( 7.275 0.000 -15.674) 17.280 4.557 ( -2.988 0.000 0.606) 3.049 4.641 ( 3.590 0.000 -2.705) 4.495 4.763 ( -3.722 0.000 -1.226) 3.919 4.808 ( 4.449 0.000 1.126) 4.590 4.866 ( -3.043 0.000 9.768) 10.231 5.014 ( -4.392 0.000 -3.680) 5.730 5.289 ( -17.293 0.000 2.229) 17.436 5.301 ( -1.183 0.000 8.427) 8.509 5.335 ( 13.820 0.000 9.803) 16.944 5.458 ( 13.547 0.000 -6.431) 14.996 5.492 ( 1.571 0.000 1.084) 1.908 5.502 ( -5.345 0.000 -1.680) 5.603 5.650 ( -10.553 0.000 5.739) 12.013 5.665 ( 1.481 0.000 -2.651) 3.036 5.763 ( -7.157 0.000 -1.957) 7.420 5.815 ( 13.739 0.000 -0.716) 13.758 5.954 ( -5.167 0.000 -5.220) 7.345 5.960 ( 5.895 0.000 -6.593) 8.844 5.995 ( -4.480 0.000 4.387) 6.270 6.081 ( 2.264 0.000 4.132) 4.712 6.196 ( 8.063 0.000 2.469) 8.432 6.231 ( 4.786 0.000 -6.049) 7.714 6.349 ( -3.380 0.000 11.875) 12.347 6.462 ( -2.817 0.000 6.783) 7.345 6.575 ( -6.041 0.000 5.216) 7.982 6.602 ( 9.262 0.000 13.138) 16.074 6.774 ( 4.435 0.000 -15.752) 16.364 6.837 ( -1.194 0.000 -10.476) 10.544 7.043 ( 11.856 0.000 -8.003) 14.305 7.056 ( -8.482 0.000 -0.961) 8.537 7.200 ( 2.052 0.000 -5.997) 6.338 7.247 ( -3.583 0.000 -5.998) 6.986 7.365 ( -6.120 0.000 0.538) 6.144 7.486 ( 2.444 0.000 -11.170) 11.434 7.624 ( -5.831 0.000 -0.098) 5.832 7.663 ( 9.724 0.000 -3.488) 10.331 7.899 ( -5.011 0.000 2.195) 5.470 7.936 ( -1.588 0.000 0.314) 1.619 8.116 ( -3.251 0.000 -0.613) 3.308 8.214 ( 6.811 0.000 -2.922) 7.411 8.359 ( 2.393 0.000 9.611) 9.904 8.476 ( -4.319 0.000 -1.023) 4.439 8.538 ( 4.903 0.000 -6.173) 7.883 8.672 ( -7.199 0.000 -15.100) 16.729 8.798 ( -4.738 0.000 -3.522) 5.904 8.822 ( 4.332 0.000 -2.619) 5.062 9.079 ( 2.844 0.000 10.987) 11.349 9.120 ( 2.255 0.000 4.922) 5.414 9.316 ( 6.657 0.000 3.947) 7.739 9.408 ( -4.309 0.000 -2.593) 5.029 9.874 ( -8.673 0.000 14.661) 17.035 9.959 ( -6.144 0.000 5.563) 8.288 9.976 ( 1.577 0.000 4.583) 4.847 10.007 ( -3.384 0.000 -0.871) 3.494 10.145 ( 1.497 0.000 -7.188) 7.342 10.149 ( 9.660 0.000 -5.232) 10.985 10.585 ( -16.429 0.000 2.518) 16.621 10.603 ( -6.321 0.000 -1.602) 6.520 10.684 ( 7.812 0.000 -3.771) 8.674 10.700 ( 8.189 0.000 -3.453) 8.887 11.017 ( -3.457 0.000 26.171) 26.398 11.312 ( 7.350 0.000 0.358) 7.359 11.368 ( -4.533 0.000 5.560) 7.174 11.422 ( -1.720 0.000 0.814) 1.903 11.474 ( -2.927 0.000 -3.294) 4.406 11.540 ( 3.944 0.000 -12.592) 13.195 11.880 ( 13.619 0.000 5.477) 14.679 12.023 ( -11.730 0.000 -10.378) 15.662 12.160 ( -2.581 0.000 12.959) 13.214 12.293 ( 4.979 0.000 2.716) 5.672 12.461 ( -1.165 0.000 -5.187) 5.316 12.551 ( 2.822 0.000 -14.983) 15.247 12.642 ( 4.222 0.000 -0.160) 4.225 12.693 ( -2.630 0.000 -5.272) 5.892 12.939 ( 6.734 0.000 2.812) 7.297 12.982 ( -6.023 0.000 -1.496) 6.206 13.226 ( -0.866 0.000 5.245) 5.317 13.312 ( 2.640 0.000 -3.571) 4.440 13.612 ( 4.331 0.000 5.316) 6.857 13.707 ( -5.633 0.000 -4.192) 7.022 13.919 ( -2.561 0.000 7.941) 8.344 14.001 ( 1.998 0.000 -0.647) 2.101 15.598 ( 3.401 0.000 4.506) 5.645 15.665 ( -3.799 0.000 -1.290) 4.012 15.768 ( 8.242 0.000 4.225) 9.262 15.832 ( -4.563 0.000 -2.044) 5.000 15.959 ( -4.559 0.000 1.987) 4.973 16.054 ( -4.709 0.000 -7.832) 9.139 16.260 ( 10.112 0.000 6.557) 12.052 16.393 ( -2.280 0.000 -6.712) 7.088 17.296 ( 0.904 0.000 2.889) 3.027 17.342 ( -3.802 0.000 -1.859) 4.232 17.463 ( -4.346 0.000 8.079) 9.174 17.541 ( 3.372 0.000 4.879) 5.931 17.815 ( 1.717 0.000 -8.961) 9.124 17.878 ( 1.774 0.000 -11.158) 11.299 18.116 ( -3.947 0.000 7.896) 8.827 18.290 ( 3.797 0.000 -9.843) 10.550 18.898 ( -2.301 0.000 3.906) 4.533 19.019 ( 1.340 0.000 -7.227) 7.350 19.342 ( 3.621 0.000 2.319) 4.300 19.462 ( -2.131 0.000 -10.192) 10.413 19.584 ( 4.632 0.000 10.880) 11.825 19.674 ( -0.017 0.000 10.223) 10.223 19.698 ( 2.315 0.000 0.707) 2.420 19.810 ( 0.254 0.000 -2.116) 2.131 20.159 ( -0.338 0.000 -12.047) 12.052 20.165 ( -17.577 0.000 -10.198) 20.321 21.088 ( 4.394 0.000 2.218) 4.922 21.152 ( 0.100 0.000 -2.329) 2.332 21.412 ( 14.446 0.000 15.220) 20.984 21.623 ( -11.963 0.000 -4.073) 12.638 21.696 ( -12.317 0.000 12.404) 17.481 21.798 ( 8.129 0.000 1.081) 8.200 22.119 ( 4.620 0.000 4.397) 6.378 22.160 ( -6.472 0.000 0.324) 6.480 22.238 ( -4.622 0.000 4.351) 6.347 22.283 ( 5.924 0.000 -0.779) 5.975 22.632 ( 1.392 0.000 1.739) 2.228 22.665 ( -0.660 0.000 -0.757) 1.004 22.756 ( 0.919 0.000 4.573) 4.665 22.812 ( -1.616 0.000 1.701) 2.347 22.961 ( -0.337 0.000 -1.864) 1.894 23.036 ( 1.965 0.000 -6.128) 6.436 23.467 ( -4.675 0.000 2.286) 5.204 23.481 ( -3.858 0.000 1.685) 4.210 23.532 ( -0.069 0.000 3.732) 3.733 23.676 ( 7.526 0.000 -9.712) 12.287 23.963 ( 1.184 0.000 0.468) 1.273 24.010 ( -0.635 0.000 -4.165) 4.213 24.318 ( 6.965 0.000 -0.433) 6.978 24.340 ( -4.100 0.000 -2.330) 4.715 24.455 ( 5.203 0.000 2.288) 5.683 24.480 ( -7.503 0.000 0.087) 7.504 24.846 ( 2.359 0.000 -0.914) 2.529 24.868 ( -1.268 0.000 -2.939) 3.201 25.298 ( -0.761 0.000 3.069) 3.161 25.324 ( 0.833 0.000 5.806) 5.866 25.349 ( 0.495 0.000 -2.487) 2.536 25.437 ( -1.486 0.000 -5.518) 5.715 25.448 ( 0.656 0.000 2.854) 2.929 25.529 ( 0.363 0.000 -5.192) 5.204 26.282 ( 3.227 0.000 9.220) 9.769 26.466 ( -4.681 0.000 -9.201) 10.323 26.556 ( -4.865 0.000 9.890) 11.022 26.739 ( 6.749 0.000 -8.497) 10.851 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -19.225 0.000 17.658) 26.104 1.735 ( -18.507 0.000 18.511) 26.176 2.425 ( -1.197 0.000 -4.627) 4.779 2.494 ( 10.392 0.000 -12.072) 15.929 2.595 ( -13.623 0.000 0.617) 13.637 2.614 ( -4.969 0.000 -14.347) 15.183 2.895 ( -14.847 0.000 -12.819) 19.615 2.981 ( 5.802 0.000 15.370) 16.429 3.063 ( -11.724 0.000 -9.404) 15.030 3.081 ( -4.174 0.000 6.104) 7.395 3.332 ( 2.431 0.000 12.950) 13.176 3.490 ( 10.255 0.000 3.802) 10.938 3.634 ( -4.157 0.000 7.237) 8.346 3.644 ( -5.728 0.000 4.566) 7.325 3.786 ( -2.417 0.000 2.559) 3.520 3.803 ( 4.275 0.000 4.018) 5.867 3.985 ( 1.481 0.000 8.967) 9.089 4.011 ( 6.141 0.000 0.947) 6.214 4.193 ( -1.272 0.000 -2.814) 3.088 4.202 ( 5.057 0.000 -2.783) 5.772 4.331 ( -3.452 0.000 -3.232) 4.729 4.469 ( -5.748 0.000 -0.820) 5.807 4.525 ( 2.270 0.000 -17.118) 17.268 4.630 ( 0.889 0.000 5.890) 5.956 4.764 ( 3.230 0.000 -4.677) 5.684 4.768 ( -8.361 0.000 8.605) 11.998 4.912 ( -5.006 0.000 6.906) 8.529 4.994 ( -1.852 0.000 -4.498) 4.864 5.016 ( 5.151 0.000 -7.342) 8.969 5.127 ( -3.519 0.000 4.047) 5.363 5.391 ( -9.751 0.000 8.133) 12.697 5.426 ( -5.034 0.000 -6.547) 8.259 5.447 ( -2.839 0.000 -2.176) 3.577 5.613 ( -0.275 0.000 6.924) 6.929 5.623 ( -1.858 0.000 -0.992) 2.106 5.692 ( 11.531 0.000 6.141) 13.064 5.707 ( 1.858 0.000 -3.403) 3.877 5.903 ( -4.063 0.000 -0.435) 4.087 5.942 ( 8.731 0.000 -6.485) 10.876 5.969 ( -2.546 0.000 -6.604) 7.078 6.131 ( 8.351 0.000 -1.593) 8.502 6.144 ( -8.891 0.000 -4.925) 10.164 6.324 ( 15.572 0.000 6.484) 16.868 6.392 ( -1.263 0.000 16.276) 16.325 6.401 ( 15.151 0.000 -8.286) 17.269 6.466 ( 2.049 0.000 6.421) 6.740 6.527 ( 3.939 0.000 4.669) 6.108 6.810 ( 1.509 0.000 -10.518) 10.626 6.823 ( 0.694 0.000 -16.518) 16.532 6.970 ( 10.016 0.000 -4.539) 10.996 7.083 ( 17.008 0.000 2.031) 17.128 7.186 ( 3.675 0.000 -6.716) 7.655 7.295 ( 6.023 0.000 -2.234) 6.424 7.337 ( 5.120 0.000 -0.934) 5.205 7.411 ( 15.145 0.000 0.121) 15.146 7.461 ( 2.366 0.000 -2.584) 3.504 7.561 ( -1.320 0.000 0.503) 1.413 7.760 ( -4.201 0.000 -4.279) 5.996 7.883 ( 8.281 0.000 0.929) 8.333 7.922 ( 0.428 0.000 0.241) 0.492 8.069 ( -0.509 0.000 -2.136) 2.195 8.303 ( 1.033 0.000 -5.976) 6.065 8.361 ( -3.451 0.000 2.699) 4.381 8.435 ( -1.070 0.000 11.489) 11.539 8.501 ( -8.772 0.000 -12.227) 15.048 8.541 ( -5.891 0.000 -6.496) 8.770 8.758 ( 7.052 0.000 -3.330) 7.798 8.793 ( -5.807 0.000 1.039) 5.899 9.128 ( -8.886 0.000 0.295) 8.891 9.143 ( 1.591 0.000 5.187) 5.425 9.334 ( 5.252 0.000 -9.048) 10.462 9.423 ( 1.887 0.000 5.050) 5.391 9.714 ( -13.916 0.000 7.209) 15.673 9.746 ( -5.011 0.000 14.107) 14.971 9.943 ( -3.300 0.000 5.877) 6.740 9.965 ( -2.159 0.000 6.360) 6.716 10.067 ( -8.142 0.000 -6.053) 10.145 10.322 ( -13.792 0.000 7.636) 15.765 10.361 ( -4.203 0.000 4.252) 5.979 10.447 ( 12.505 0.000 -6.575) 14.128 10.743 ( -1.654 0.000 -0.972) 1.919 10.955 ( 5.141 0.000 3.253) 6.084 10.972 ( -0.222 0.000 18.476) 18.477 11.227 ( -6.157 0.000 1.699) 6.387 11.318 ( -3.517 0.000 -8.430) 9.134 11.433 ( -4.042 0.000 3.073) 5.077 11.469 ( 3.226 0.000 3.012) 4.413 11.597 ( 4.276 0.000 -10.306) 11.158 11.746 ( -10.652 0.000 -15.299) 18.642 11.934 ( -10.134 0.000 18.068) 20.716 12.264 ( 10.142 0.000 -4.359) 11.039 12.322 ( -2.151 0.000 3.217) 3.870 12.377 ( -4.094 0.000 -11.062) 11.796 12.535 ( -2.382 0.000 -9.480) 9.774 12.627 ( 0.661 0.000 -4.651) 4.698 12.767 ( 8.403 0.000 1.248) 8.495 12.914 ( -2.099 0.000 0.898) 2.283 13.177 ( 11.030 0.000 -4.040) 11.746 13.245 ( 1.872 0.000 2.135) 2.840 13.383 ( 5.266 0.000 -4.830) 7.146 13.538 ( -7.466 0.000 -3.322) 8.172 13.587 ( -6.854 0.000 7.157) 9.910 13.948 ( 2.997 0.000 5.571) 6.326 13.996 ( -4.230 0.000 0.666) 4.282 15.544 ( -6.965 0.000 -1.674) 7.164 15.644 ( -1.899 0.000 3.201) 3.722 15.660 ( -4.997 0.000 -1.119) 5.121 15.878 ( 0.705 0.000 -4.169) 4.228 15.998 ( 4.291 0.000 7.880) 8.973 16.015 ( 1.960 0.000 4.457) 4.869 16.341 ( 0.121 0.000 -12.634) 12.634 16.456 ( 6.665 0.000 -1.208) 6.773 17.181 ( -7.122 0.000 7.090) 10.049 17.235 ( -6.421 0.000 1.866) 6.687 17.430 ( 0.406 0.000 9.921) 9.929 17.690 ( 5.659 0.000 -3.418) 6.611 17.840 ( -5.033 0.000 -0.605) 5.069 17.881 ( 5.227 0.000 -12.238) 13.308 18.174 ( 9.158 0.000 -1.847) 9.342 18.328 ( 1.722 0.000 -4.875) 5.170 18.889 ( 0.330 0.000 4.203) 4.216 19.042 ( 1.641 0.000 -5.846) 6.072 19.415 ( -0.579 0.000 -8.252) 8.272 19.444 ( 4.633 0.000 0.718) 4.688 19.570 ( -8.541 0.000 1.206) 8.625 19.629 ( -4.199 0.000 -7.112) 8.259 19.719 ( 1.911 0.000 7.769) 8.001 19.814 ( -0.388 0.000 -3.595) 3.616 19.976 ( 3.827 0.000 12.788) 13.348 20.334 ( 13.551 0.000 8.267) 15.874 21.135 ( -2.772 0.000 -0.754) 2.873 21.144 ( -1.775 0.000 -8.473) 8.657 21.306 ( -10.837 0.000 -8.229) 13.607 21.417 ( -12.009 0.000 9.628) 15.392 21.738 ( 10.978 0.000 18.345) 21.379 21.967 ( 3.948 0.000 2.302) 4.570 22.063 ( -2.832 0.000 -0.979) 2.996 22.140 ( -0.774 0.000 5.185) 5.242 22.305 ( 7.481 0.000 4.791) 8.884 22.430 ( 7.833 0.000 0.072) 7.833 22.652 ( -0.194 0.000 -1.631) 1.643 22.660 ( 0.896 0.000 1.219) 1.513 22.787 ( -0.751 0.000 0.474) 0.888 22.793 ( 1.893 0.000 5.248) 5.578 22.963 ( 0.975 0.000 -2.002) 2.227 23.090 ( 4.061 0.000 -5.974) 7.224 23.308 ( -8.253 0.000 3.266) 8.876 23.344 ( -6.116 0.000 2.759) 6.710 23.608 ( 2.057 0.000 2.900) 3.556 23.839 ( 7.822 0.000 -6.553) 10.205 23.981 ( -2.283 0.000 -4.044) 4.644 24.076 ( 9.744 0.000 -1.422) 9.847 24.289 ( 1.454 0.000 -5.877) 6.054 24.311 ( -7.141 0.000 0.551) 7.163 24.488 ( 7.833 0.000 -0.353) 7.841 24.596 ( 6.531 0.000 3.288) 7.312 24.818 ( -2.970 0.000 -4.400) 5.308 24.894 ( 2.601 0.000 -1.386) 2.947 25.307 ( 1.489 0.000 4.023) 4.290 25.341 ( -0.595 0.000 6.417) 6.444 25.378 ( 2.232 0.000 -3.135) 3.848 25.389 ( -1.297 0.000 -5.095) 5.257 25.448 ( -0.763 0.000 2.368) 2.488 25.514 ( -0.584 0.000 -5.206) 5.238 26.277 ( -5.791 0.000 8.266) 10.092 26.282 ( -9.635 0.000 -6.937) 11.872 26.449 ( -6.176 0.000 10.902) 12.529 26.829 ( 1.661 0.000 -12.672) 12.781 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -13.182 0.000 26.712) 29.788 1.467 ( -9.587 0.000 31.637) 33.058 2.226 ( -13.988 0.000 -10.444) 17.457 2.235 ( -9.175 0.000 -16.022) 18.463 2.430 ( -12.299 0.000 3.180) 12.704 2.721 ( 5.981 0.000 -5.169) 7.905 2.728 ( 7.946 0.000 -6.375) 10.187 3.005 ( 1.537 0.000 -4.660) 4.907 3.008 ( -4.662 0.000 9.869) 10.915 3.088 ( -0.928 0.000 11.171) 11.209 3.325 ( -0.958 0.000 9.179) 9.228 3.402 ( -13.360 0.000 14.187) 19.487 3.566 ( -3.854 0.000 9.989) 10.707 3.730 ( -2.011 0.000 -4.896) 5.292 3.761 ( 8.525 0.000 8.078) 11.744 3.805 ( -4.029 0.000 -3.081) 5.072 3.989 ( -6.090 0.000 2.963) 6.773 4.081 ( -1.153 0.000 -0.326) 1.199 4.158 ( 0.304 0.000 -15.994) 15.996 4.208 ( -2.680 0.000 -2.859) 3.918 4.285 ( 1.709 0.000 5.851) 6.096 4.337 ( -13.948 0.000 0.282) 13.951 4.451 ( 12.430 0.000 -3.942) 13.040 4.659 ( -3.743 0.000 -9.352) 10.073 4.674 ( 2.356 0.000 -2.249) 3.257 4.817 ( 1.078 0.000 0.072) 1.080 4.938 ( -0.313 0.000 -4.239) 4.251 4.974 ( -3.626 0.000 10.297) 10.917 5.100 ( 7.614 0.000 -4.912) 9.060 5.178 ( 0.993 0.000 3.627) 3.760 5.278 ( -5.078 0.000 -6.865) 8.539 5.336 ( 1.850 0.000 -5.215) 5.533 5.388 ( 1.957 0.000 -5.764) 6.088 5.485 ( -5.179 0.000 1.150) 5.305 5.631 ( -2.803 0.000 2.651) 3.858 5.775 ( 3.354 0.000 -4.781) 5.840 5.823 ( -4.814 0.000 -1.901) 5.175 5.847 ( 1.232 0.000 2.661) 2.933 5.938 ( 3.820 0.000 -3.535) 5.204 5.993 ( -0.750 0.000 -0.782) 1.084 6.245 ( 4.032 0.000 -2.281) 4.633 6.251 ( 10.955 0.000 4.743) 11.938 6.310 ( -0.621 0.000 10.753) 10.771 6.507 ( 4.457 0.000 -3.656) 5.765 6.540 ( -3.570 0.000 -3.305) 4.865 6.676 ( 4.690 0.000 10.799) 11.773 6.697 ( 12.463 0.000 -0.740) 12.485 6.763 ( -4.502 0.000 -6.096) 7.579 6.924 ( 12.708 0.000 2.758) 13.004 7.205 ( 10.431 0.000 -13.774) 17.278 7.304 ( 6.696 0.000 0.163) 6.698 7.323 ( 11.867 0.000 -14.126) 18.449 7.416 ( -3.396 0.000 7.090) 7.861 7.438 ( 1.631 0.000 7.831) 8.000 7.550 ( 10.025 0.000 6.468) 11.931 7.576 ( 9.886 0.000 -7.100) 12.171 7.751 ( 11.382 0.000 0.999) 11.426 7.850 ( 2.099 0.000 -10.708) 10.912 7.960 ( 5.352 0.000 -7.427) 9.154 7.995 ( 10.166 0.000 -5.017) 11.337 8.065 ( -7.803 0.000 -4.015) 8.776 8.200 ( -10.365 0.000 -11.048) 15.149 8.250 ( -6.957 0.000 3.008) 7.579 8.270 ( -2.860 0.000 -5.479) 6.180 8.434 ( -5.245 0.000 -1.447) 5.441 8.450 ( 0.890 0.000 12.210) 12.243 8.646 ( -5.784 0.000 5.134) 7.734 8.929 ( 6.666 0.000 -3.978) 7.762 8.931 ( -4.344 0.000 5.833) 7.273 9.172 ( 1.478 0.000 -2.606) 2.996 9.347 ( -7.905 0.000 -7.636) 10.991 9.419 ( -2.398 0.000 -4.076) 4.729 9.577 ( 0.297 0.000 21.488) 21.490 9.704 ( -2.191 0.000 12.082) 12.280 9.864 ( -5.769 0.000 7.321) 9.321 9.918 ( -2.820 0.000 -0.428) 2.852 9.957 ( 2.861 0.000 -5.676) 6.356 10.071 ( -10.376 0.000 11.337) 15.369 10.346 ( 2.978 0.000 2.119) 3.655 10.584 ( -0.030 0.000 3.047) 3.047 10.683 ( -2.731 0.000 -0.489) 2.774 10.772 ( -13.541 0.000 14.827) 20.080 11.175 ( 0.978 0.000 4.262) 4.373 11.188 ( 8.795 0.000 -3.787) 9.576 11.319 ( 4.775 0.000 -9.333) 10.484 11.344 ( -0.994 0.000 -2.406) 2.603 11.395 ( -8.061 0.000 5.329) 9.663 11.507 ( -14.634 0.000 5.240) 15.544 11.533 ( -7.079 0.000 -8.745) 11.252 11.867 ( 2.437 0.000 -3.845) 4.552 12.238 ( -6.315 0.000 -13.512) 14.915 12.245 ( -5.014 0.000 4.877) 6.995 12.438 ( 6.427 0.000 -3.325) 7.236 12.538 ( 4.222 0.000 -10.145) 10.988 12.629 ( -0.551 0.000 -1.174) 1.296 12.830 ( -5.542 0.000 -1.241) 5.680 13.015 ( 12.290 0.000 5.865) 13.618 13.249 ( -3.569 0.000 -3.919) 5.301 13.286 ( 2.112 0.000 -3.001) 3.670 13.404 ( 1.697 0.000 -6.555) 6.771 13.432 ( -8.018 0.000 9.018) 12.067 13.610 ( 11.046 0.000 -2.995) 11.445 13.806 ( -12.906 0.000 0.694) 12.925 13.944 ( -5.994 0.000 1.735) 6.240 15.424 ( -2.399 0.000 1.463) 2.809 15.546 ( -2.783 0.000 -1.538) 3.179 15.666 ( 0.189 0.000 4.870) 4.874 15.851 ( -0.955 0.000 -8.799) 8.851 16.075 ( 1.891 0.000 7.159) 7.404 16.090 ( 1.911 0.000 8.052) 8.276 16.377 ( 5.201 0.000 -10.810) 11.996 16.540 ( 2.274 0.000 -6.697) 7.073 17.093 ( -5.885 0.000 5.963) 8.378 17.123 ( -0.422 0.000 12.611) 12.618 17.514 ( 5.232 0.000 8.549) 10.023 17.675 ( -5.186 0.000 -13.518) 14.479 17.695 ( -8.259 0.000 3.189) 8.853 17.961 ( 4.446 0.000 -14.799) 15.452 18.384 ( 3.794 0.000 0.036) 3.794 18.400 ( 10.331 0.000 -4.676) 11.340 18.910 ( 1.045 0.000 6.360) 6.445 19.061 ( 1.124 0.000 -4.347) 4.490 19.370 ( -2.800 0.000 -5.403) 6.086 19.448 ( -0.866 0.000 5.364) 5.433 19.471 ( -1.950 0.000 -6.119) 6.422 19.585 ( 1.302 0.000 -6.162) 6.298 19.770 ( 1.798 0.000 5.757) 6.031 19.814 ( 0.743 0.000 0.259) 0.787 20.275 ( 19.005 0.000 19.943) 27.548 20.599 ( 6.163 0.000 12.156) 13.629 20.954 ( -12.769 0.000 -2.513) 13.014 20.968 ( -4.343 0.000 -0.580) 4.381 21.205 ( -3.019 0.000 -9.930) 10.379 21.299 ( -1.820 0.000 -2.582) 3.159 21.933 ( 3.366 0.000 14.995) 15.368 21.980 ( -1.379 0.000 3.167) 3.454 22.045 ( 1.885 0.000 0.767) 2.035 22.172 ( 1.662 0.000 3.278) 3.676 22.444 ( 3.687 0.000 7.151) 8.046 22.576 ( 4.066 0.000 -0.890) 4.162 22.668 ( 2.423 0.000 -2.857) 3.746 22.671 ( -0.170 0.000 1.052) 1.066 22.811 ( 4.476 0.000 1.711) 4.792 22.857 ( 2.620 0.000 6.005) 6.551 22.988 ( 1.168 0.000 -1.280) 1.733 23.151 ( -2.728 0.000 0.113) 2.730 23.189 ( 1.765 0.000 -4.872) 5.182 23.240 ( -4.131 0.000 3.184) 5.216 23.638 ( 1.212 0.000 3.162) 3.387 23.860 ( -5.577 0.000 -0.145) 5.579 23.994 ( 5.563 0.000 -7.523) 9.356 24.153 ( -6.710 0.000 2.485) 7.156 24.349 ( 13.432 0.000 -1.533) 13.519 24.384 ( 7.709 0.000 -7.059) 10.453 24.644 ( 3.973 0.000 1.410) 4.216 24.700 ( 2.180 0.000 -1.142) 2.461 24.730 ( -2.090 0.000 -5.897) 6.256 24.948 ( 1.887 0.000 -3.105) 3.633 25.309 ( -2.756 0.000 4.637) 5.394 25.373 ( 0.774 0.000 -4.983) 5.042 25.390 ( 3.412 0.000 6.103) 6.992 25.435 ( 3.957 0.000 -5.169) 6.510 25.460 ( 3.105 0.000 4.678) 5.615 25.511 ( 1.777 0.000 -4.734) 5.056 26.086 ( -6.507 0.000 -4.744) 8.053 26.124 ( -7.866 0.000 5.149) 9.402 26.316 ( -9.166 0.000 14.622) 17.257 26.708 ( -10.833 0.000 -16.224) 19.508 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 6.177 8.600 25.191) 27.325 1.635 ( -0.905 20.270 21.845) 29.815 1.974 ( -5.611 -0.484 -7.509) 9.386 2.243 ( 4.993 14.943 -21.514) 26.666 2.562 ( 5.874 -4.936 16.288) 18.004 2.676 ( -2.086 3.654 9.189) 10.107 2.707 ( -7.611 -11.553 2.006) 13.979 2.925 ( -8.777 3.449 -4.643) 10.511 3.011 ( 0.557 1.054 1.021) 1.569 3.045 ( -4.621 7.649 -0.990) 8.991 3.189 ( 1.525 1.966 16.195) 16.385 3.395 ( 7.543 -5.135 20.548) 22.483 3.516 ( 3.009 -2.602 2.811) 4.871 3.593 ( 2.574 -5.998 2.347) 6.937 3.641 ( -0.738 -4.422 -8.198) 9.343 3.786 ( -2.147 -7.098 -7.504) 10.550 3.992 ( 1.971 5.637 8.818) 10.650 4.018 ( -3.191 -2.035 -2.085) 4.321 4.171 ( -1.254 8.211 -5.195) 9.797 4.208 ( -3.270 2.723 -10.471) 11.302 4.342 ( 1.535 7.387 -4.105) 8.589 4.433 ( 0.561 -1.280 -8.737) 8.848 4.459 ( -1.693 6.768 4.351) 8.222 4.631 ( 6.871 -3.911 -3.714) 8.735 4.641 ( 0.241 -12.239 4.459) 13.028 4.768 ( -0.336 -8.625 -11.441) 14.332 4.870 ( -7.191 1.189 5.504) 9.134 4.981 ( 7.361 2.310 -1.305) 7.824 5.125 ( -0.272 5.825 -2.885) 6.506 5.200 ( -2.083 6.395 -4.406) 8.040 5.256 ( 2.119 -4.365 0.709) 4.904 5.300 ( 3.789 -4.208 -5.153) 7.656 5.446 ( -2.786 0.351 7.662) 8.161 5.588 ( 0.924 -2.524 -3.957) 4.783 5.656 ( -5.065 5.683 -1.344) 7.730 5.680 ( -1.183 3.633 -3.253) 5.018 5.810 ( 1.284 0.581 2.463) 2.838 5.900 ( -0.591 2.050 -4.307) 4.806 5.974 ( 3.934 6.107 -0.020) 7.264 5.993 ( -5.263 -0.575 1.056) 5.399 6.246 ( 2.113 0.689 8.337) 8.628 6.339 ( -0.661 0.162 0.630) 0.928 6.420 ( -2.175 -1.869 2.707) 3.943 6.520 ( -4.226 1.023 0.378) 4.365 6.563 ( 3.704 -5.658 -2.752) 7.301 6.629 ( -1.904 0.363 -5.286) 5.630 6.703 ( -0.797 4.218 9.838) 10.734 6.847 ( 1.062 0.500 -3.391) 3.588 7.157 ( 7.066 -4.350 3.835) 9.141 7.208 ( -5.560 -11.328 7.838) 14.855 7.352 ( -0.740 -3.767 8.655) 9.468 7.372 ( 7.459 -6.538 -7.064) 12.177 7.435 ( 0.970 -1.816 1.335) 2.454 7.496 ( -2.704 -7.226 -6.046) 9.802 7.614 ( 1.719 1.213 -5.055) 5.476 7.672 ( -11.707 -0.698 -11.635) 16.520 7.745 ( 6.057 -4.412 -5.357) 9.211 7.768 ( -4.809 0.846 -7.220) 8.716 7.910 ( 5.139 -1.883 -4.991) 7.407 7.947 ( -2.136 4.461 -5.498) 7.395 8.052 ( 0.018 -2.892 5.963) 6.627 8.159 ( -4.623 1.399 0.732) 4.885 8.199 ( -0.679 2.895 -5.113) 5.915 8.279 ( 3.837 -3.684 -10.371) 11.655 8.385 ( -0.551 -4.793 -0.092) 4.826 8.413 ( 4.931 -0.164 -2.578) 5.566 8.712 ( 8.898 -1.983 12.508) 15.478 8.857 ( -0.743 -4.157 2.085) 4.709 8.976 ( 0.727 -4.665 7.005) 8.448 9.059 ( -2.799 -7.223 -1.200) 7.839 9.160 ( -8.042 -7.080 4.416) 11.589 9.320 ( 2.694 -10.046 -2.628) 10.728 9.324 ( -4.077 -4.877 8.393) 10.529 9.631 ( -1.766 -15.776 -10.753) 19.174 9.789 ( -0.848 -1.224 -1.519) 2.127 9.812 ( 3.667 -0.715 0.594) 3.783 9.974 ( 5.112 2.281 8.619) 10.277 10.177 ( 8.030 1.724 -9.265) 12.381 10.470 ( -4.569 0.305 10.760) 11.694 10.610 ( 5.197 5.627 -2.245) 7.982 10.723 ( -0.203 8.120 7.859) 11.302 10.786 ( -1.792 11.821 2.066) 12.134 11.140 ( -3.071 -2.072 13.630) 14.124 11.193 ( -1.358 -0.290 6.751) 6.893 11.316 ( 2.897 4.071 4.319) 6.604 11.340 ( 3.113 2.836 -6.066) 7.385 11.347 ( -6.358 3.239 5.378) 8.935 11.427 ( -2.420 2.856 -10.246) 10.908 11.618 ( -1.787 3.914 3.085) 5.294 11.843 ( 2.527 4.212 -14.067) 14.900 12.123 ( -6.637 1.597 3.292) 7.579 12.231 ( 3.545 -0.893 -5.906) 6.946 12.467 ( -6.407 -1.600 -0.507) 6.623 12.494 ( 4.803 -0.013 -2.267) 5.311 12.780 ( -7.392 6.251 1.667) 9.823 12.845 ( 7.792 9.295 -5.085) 13.152 13.136 ( 5.115 -4.247 5.774) 8.806 13.200 ( -1.571 1.414 0.186) 2.122 13.283 ( -8.210 -7.883 6.909) 13.315 13.324 ( 4.998 -5.626 -1.764) 7.730 13.427 ( -1.226 4.484 0.448) 4.670 13.549 ( 0.162 2.319 -7.902) 8.237 13.715 ( -8.951 -2.912 4.509) 10.437 13.792 ( 7.936 -4.058 -3.077) 9.430 15.469 ( 1.678 2.087 2.561) 3.705 15.508 ( -1.870 0.968 -1.297) 2.473 15.677 ( -0.182 -0.440 3.981) 4.009 15.749 ( -0.344 -4.971 -2.875) 5.753 16.139 ( -1.325 4.590 6.603) 8.150 16.255 ( 2.212 8.498 -4.356) 9.802 16.489 ( 4.671 4.095 -3.429) 7.095 16.558 ( -3.376 6.202 -9.015) 11.452 17.048 ( -2.483 -5.024 10.701) 12.079 17.169 ( 4.389 -3.265 2.572) 6.044 17.305 ( 0.292 -8.251 8.766) 12.042 17.491 ( -3.269 -3.940 -8.669) 10.068 17.947 ( 0.220 17.894 -1.052) 17.926 18.094 ( 2.105 8.189 -13.837) 16.216 18.455 ( -1.692 3.928 5.663) 7.097 18.612 ( 2.029 6.739 -10.294) 12.470 18.997 ( -1.136 1.931 3.563) 4.209 19.070 ( 3.284 -3.387 -4.748) 6.694 19.250 ( -0.309 -5.067 1.917) 5.426 19.318 ( -1.206 -8.378 -2.260) 8.761 19.526 ( -1.791 5.586 5.231) 7.860 19.688 ( 3.752 7.503 -8.747) 12.119 19.764 ( -0.581 0.613 8.323) 8.365 19.919 ( -0.612 4.567 -6.549) 8.008 20.564 ( 1.906 -5.057 7.107) 8.928 20.646 ( -3.262 -5.219 0.319) 6.162 20.841 ( 8.293 4.590 9.123) 13.156 21.019 ( 2.646 -5.908 -0.090) 6.474 21.056 ( 0.227 3.762 -2.041) 4.286 21.219 ( -5.730 0.501 -10.673) 12.124 21.939 ( -0.155 -2.836 9.566) 9.979 21.977 ( 0.052 0.415 2.170) 2.210 22.115 ( 2.165 0.359 4.659) 5.150 22.196 ( -1.530 -0.243 0.187) 1.560 22.447 ( -0.229 -4.130 5.892) 7.199 22.509 ( -0.597 -7.056 -0.064) 7.081 22.645 ( -1.130 0.266 2.248) 2.530 22.704 ( 1.411 1.083 -2.919) 3.418 22.881 ( -1.126 -0.049 3.919) 4.078 22.933 ( 0.182 -2.927 -1.694) 3.387 23.013 ( 0.382 0.594 7.173) 7.208 23.074 ( -1.310 0.180 3.610) 3.844 23.272 ( 2.710 4.464 -2.836) 5.942 23.342 ( 0.795 9.459 -8.155) 12.514 23.721 ( 3.831 2.060 1.560) 4.621 23.762 ( -2.193 1.675 -2.574) 3.774 24.018 ( -6.357 -0.053 3.236) 7.133 24.095 ( 4.892 0.154 -4.202) 6.451 24.459 ( -6.094 -5.631 -0.296) 8.302 24.481 ( 2.138 -4.930 -3.089) 6.198 24.554 ( 3.683 -2.537 1.712) 4.789 24.650 ( -2.804 -1.511 -6.944) 7.639 24.826 ( 5.553 -0.405 0.674) 5.608 24.892 ( -4.816 -0.239 -5.414) 7.250 25.194 ( -0.774 -6.662 3.635) 7.629 25.271 ( 0.586 -7.186 -3.742) 8.123 25.452 ( 0.715 4.632 8.195) 9.441 25.539 ( -5.557 4.210 3.252) 7.693 25.599 ( -0.356 3.684 -4.477) 5.809 25.622 ( 3.766 6.290 -5.744) 9.313 25.976 ( -6.093 -1.716 4.991) 8.060 26.057 ( 4.593 -1.581 -3.388) 5.923 26.166 ( 1.099 -3.612 14.549) 15.031 26.436 ( -0.194 -4.240 -12.739) 13.427 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 6.759 -5.410 14.123) 16.565 1.865 ( 10.903 9.360 16.131) 21.603 2.009 ( 11.314 -0.187 -7.700) 13.687 2.244 ( -2.775 6.752 -13.934) 15.730 2.453 ( -0.729 8.694 9.542) 12.929 2.586 ( -5.446 -0.222 0.715) 5.497 2.712 ( -3.333 2.372 -2.254) 4.671 2.781 ( -5.071 -5.886 3.261) 8.426 3.079 ( 7.228 -3.807 10.293) 13.141 3.282 ( 19.161 10.402 6.566) 22.770 3.351 ( 6.275 1.639 5.308) 8.381 3.545 ( 0.833 -4.012 17.166) 17.648 3.549 ( -1.865 -2.358 1.231) 3.248 3.601 ( -3.226 -2.333 -4.874) 6.293 3.701 ( 6.147 -1.937 -1.373) 6.589 3.763 ( 7.194 -0.222 -5.295) 8.935 3.974 ( -1.010 -2.597 -0.539) 2.838 4.024 ( -1.634 0.652 3.191) 3.644 4.142 ( -1.002 0.514 -2.703) 2.928 4.200 ( 5.972 -0.352 -4.194) 7.306 4.308 ( -2.995 4.979 -1.076) 5.909 4.419 ( -3.322 -6.182 -3.806) 7.984 4.491 ( 4.756 6.781 -2.882) 8.769 4.646 ( -0.300 -4.261 7.580) 8.701 4.701 ( 1.344 -3.370 -5.488) 6.579 4.800 ( 4.001 -1.167 0.022) 4.167 4.864 ( 10.566 4.725 -9.135) 14.745 5.043 ( -3.047 3.197 -1.673) 4.723 5.142 ( 0.236 -1.927 -5.711) 6.032 5.154 ( -4.948 -0.351 3.752) 6.220 5.220 ( -3.640 2.929 -2.213) 5.170 5.334 ( 1.921 -0.877 1.680) 2.699 5.442 ( 2.423 0.531 -6.562) 7.015 5.534 ( -1.152 -1.518 -0.115) 1.909 5.643 ( 0.207 -0.048 -0.015) 0.213 5.677 ( 1.527 -0.136 2.986) 3.357 5.820 ( -4.277 1.600 -1.276) 4.742 5.848 ( 0.117 1.381 3.615) 3.872 5.937 ( -0.726 -2.019 0.126) 2.150 5.984 ( -3.069 4.681 3.755) 6.740 6.197 ( -10.656 -1.187 2.734) 11.065 6.270 ( -4.711 0.200 6.196) 7.786 6.329 ( -3.893 0.036 -2.424) 4.586 6.455 ( -3.593 7.501 3.015) 8.847 6.489 ( 1.493 0.098 0.386) 1.546 6.655 ( -4.033 -1.071 1.864) 4.570 6.747 ( 2.275 0.337 -10.098) 10.357 6.838 ( -1.968 -4.948 4.563) 7.012 7.031 ( -7.640 -4.893 -0.298) 9.077 7.106 ( -17.387 -1.470 -4.281) 17.967 7.166 ( -12.910 1.024 7.392) 14.912 7.314 ( -9.429 1.658 -2.680) 9.941 7.367 ( -3.797 -1.985 -2.734) 5.083 7.454 ( -3.644 4.328 -0.541) 5.684 7.506 ( -0.402 -11.026 -9.547) 14.590 7.620 ( -1.268 -2.425 7.827) 8.292 7.711 ( 3.167 -4.722 -2.117) 6.067 7.794 ( -2.195 -0.069 -3.343) 4.000 7.842 ( -9.229 2.567 -0.144) 9.581 7.901 ( -5.740 -3.913 -1.898) 7.202 8.077 ( -8.895 -7.280 -3.206) 11.933 8.137 ( 12.498 -3.065 -2.370) 13.085 8.231 ( 6.508 6.474 -2.429) 9.496 8.329 ( 6.518 -3.188 -10.348) 12.638 8.478 ( 3.005 0.043 -0.428) 3.036 8.515 ( 5.633 -11.759 -4.317) 13.734 8.755 ( -0.781 -1.817 -3.534) 4.050 8.884 ( -0.517 3.893 2.140) 4.473 8.973 ( -5.830 -1.183 1.662) 6.177 9.044 ( 2.676 -2.616 6.032) 7.098 9.117 ( 6.571 -3.614 6.891) 10.185 9.253 ( -2.909 -7.244 13.629) 15.707 9.507 ( 9.345 -12.827 2.330) 16.041 9.575 ( 0.853 -17.902 -9.823) 20.438 9.793 ( 4.242 -8.752 -6.211) 11.540 10.008 ( 12.438 1.554 -2.946) 12.877 10.176 ( 6.530 2.056 0.555) 6.869 10.225 ( -6.465 0.004 -0.603) 6.493 10.349 ( 5.189 3.582 -5.741) 8.527 10.627 ( -4.308 3.311 -5.751) 7.912 10.830 ( 4.111 12.308 0.399) 12.983 10.862 ( 4.428 2.177 17.265) 17.956 11.158 ( -1.815 2.115 6.172) 6.772 11.168 ( -3.866 0.466 5.205) 6.500 11.209 ( 1.704 -2.913 2.337) 4.105 11.278 ( -2.283 4.877 2.316) 5.862 11.451 ( 5.970 -0.173 -1.348) 6.123 11.518 ( -0.907 6.605 3.012) 7.315 11.573 ( 10.834 6.928 1.735) 12.976 11.934 ( -0.358 5.014 -3.896) 6.360 12.128 ( 10.103 -4.235 -5.829) 12.409 12.272 ( -3.119 -7.503 2.220) 8.424 12.338 ( -1.852 3.685 -0.678) 4.180 12.539 ( -0.542 1.196 0.304) 1.348 12.672 ( -3.090 7.558 0.103) 8.166 12.898 ( -5.934 0.578 -1.576) 6.166 13.099 ( -1.670 1.071 -5.142) 5.512 13.200 ( 1.488 0.432 2.595) 3.023 13.227 ( 0.519 2.102 2.931) 3.644 13.336 ( -1.891 7.492 3.073) 8.315 13.469 ( -0.317 -4.945 2.838) 5.711 13.633 ( 5.699 0.091 -7.407) 9.346 13.669 ( 6.579 -5.148 5.547) 10.028 13.951 ( 6.355 -3.207 -0.364) 7.128 15.470 ( -0.175 1.140 -0.938) 1.487 15.510 ( 1.799 1.585 2.850) 3.724 15.695 ( 1.805 -1.280 3.978) 4.552 15.738 ( -0.197 -2.773 -2.272) 3.591 16.097 ( -2.753 3.240 5.520) 6.967 16.314 ( 2.293 6.322 -5.280) 8.551 16.382 ( -7.845 6.030 -7.101) 12.179 16.533 ( -3.416 4.494 -4.324) 7.111 17.020 ( 1.969 -7.013 7.002) 10.104 17.304 ( -0.958 -5.342 5.148) 7.480 17.377 ( 10.944 2.102 2.104) 11.341 17.475 ( 1.970 -4.571 -3.418) 6.038 17.951 ( -0.219 12.715 0.015) 12.717 18.103 ( 0.597 8.584 -13.760) 16.229 18.340 ( -8.557 3.454 3.761) 9.965 18.533 ( -6.817 8.537 -8.806) 14.032 18.941 ( -3.343 -3.947 -0.376) 5.186 19.106 ( 0.075 -2.426 -2.470) 3.463 19.282 ( 2.251 -0.698 -3.571) 4.278 19.344 ( 4.267 -1.512 4.588) 6.446 19.474 ( -2.515 -0.651 2.251) 3.437 19.691 ( -1.752 9.987 -2.434) 10.428 19.789 ( -1.324 -0.968 0.258) 1.660 19.886 ( 0.651 5.510 -2.172) 5.958 20.617 ( -8.632 -3.183 -10.438) 13.914 20.671 ( 5.970 -6.255 7.597) 11.510 20.773 ( 3.052 -1.717 6.153) 7.080 20.992 ( -11.865 1.951 -11.253) 16.469 21.162 ( 4.542 -5.432 4.653) 8.472 21.190 ( 8.489 2.904 -1.486) 9.095 21.930 ( -2.644 -2.916 9.959) 10.709 21.990 ( 0.692 -0.441 1.625) 1.821 22.110 ( -5.461 -1.758 -0.788) 5.791 22.158 ( 0.514 0.406 2.514) 2.598 22.421 ( -3.341 -4.438 5.956) 8.144 22.453 ( -4.969 -5.937 0.962) 7.802 22.624 ( -0.979 0.973 1.937) 2.378 22.720 ( 0.263 1.768 -2.436) 3.021 22.816 ( -3.265 3.002 4.438) 6.275 22.910 ( -2.250 -1.120 0.038) 2.514 23.016 ( -2.501 -1.669 4.401) 5.330 23.071 ( 0.067 1.407 2.781) 3.117 23.319 ( 3.842 4.035 -7.741) 9.538 23.342 ( 1.425 6.490 -4.854) 8.229 23.709 ( -1.115 0.129 -3.457) 3.635 23.821 ( -1.315 2.194 6.113) 6.627 23.923 ( 0.583 -0.784 -3.058) 3.210 24.190 ( 3.263 -0.072 -0.921) 3.391 24.247 ( -9.016 -2.895 2.020) 9.683 24.356 ( -9.890 0.614 -0.334) 9.915 24.586 ( -2.709 -5.842 0.757) 6.483 24.683 ( 4.355 -2.448 -4.105) 6.466 24.767 ( -4.223 4.174 -2.605) 6.484 24.900 ( 0.178 -0.557 -0.205) 0.620 25.169 ( -1.310 -7.143 2.599) 7.714 25.269 ( 0.871 -5.559 -0.713) 5.672 25.390 ( -5.569 2.009 0.704) 5.962 25.485 ( 1.364 4.170 5.267) 6.855 25.553 ( -0.965 4.112 -2.524) 4.921 25.633 ( -4.561 6.861 -3.250) 8.856 25.968 ( 5.878 -1.585 5.345) 8.102 26.179 ( 8.302 -2.845 -3.448) 9.429 26.356 ( 9.994 -4.050 13.640) 17.388 26.557 ( 8.406 -5.387 -14.229) 17.382 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 12.284 -16.912 2.782) 21.087 2.054 ( 7.641 0.816 -2.505) 8.083 2.244 ( 12.313 -7.545 -5.356) 15.403 2.340 ( -1.466 12.302 1.109) 12.438 2.386 ( -5.818 -0.150 6.230) 8.526 2.528 ( 9.287 -5.991 8.864) 14.167 2.732 ( 2.575 -2.519 -0.912) 3.716 2.820 ( 5.732 2.254 -3.226) 6.953 3.141 ( -0.661 2.092 6.781) 7.127 3.318 ( -2.781 -2.070 -4.912) 6.012 3.451 ( -10.980 0.793 -2.105) 11.208 3.478 ( -2.055 -4.386 2.722) 5.556 3.571 ( 6.119 4.838 4.859) 9.191 3.700 ( 1.961 1.001 6.546) 6.906 3.797 ( 1.511 -0.562 -3.914) 4.233 3.863 ( 0.402 -1.180 0.961) 1.574 4.006 ( 3.582 1.483 2.646) 4.694 4.033 ( 4.433 2.702 4.381) 6.793 4.103 ( 0.076 -6.653 3.432) 7.486 4.287 ( 0.768 3.832 -1.110) 4.063 4.337 ( 2.844 1.189 -3.203) 4.445 4.444 ( 6.291 1.419 -11.664) 13.328 4.551 ( 4.057 -0.112 3.286) 5.222 4.664 ( -2.577 3.768 4.659) 6.523 4.698 ( -2.288 1.199 -4.937) 5.572 4.893 ( -12.071 1.472 3.593) 12.681 4.915 ( -0.796 -5.793 4.884) 7.619 5.031 ( 7.314 -2.089 0.779) 7.646 5.085 ( 11.103 0.691 -10.167) 15.070 5.103 ( -3.254 3.648 -1.122) 5.016 5.228 ( 9.774 3.814 -2.880) 10.880 5.433 ( -0.831 -6.404 2.187) 6.818 5.509 ( 5.452 2.640 -1.504) 6.242 5.580 ( -10.015 -3.316 -0.244) 10.552 5.627 ( 4.766 -1.632 -1.919) 5.391 5.660 ( 5.825 1.948 1.617) 6.351 5.754 ( -2.099 -0.430 -1.244) 2.477 5.821 ( -0.427 3.322 6.859) 7.633 5.924 ( -0.882 -1.292 4.913) 5.156 5.962 ( -6.645 1.574 2.177) 7.167 6.035 ( 3.560 -3.162 -0.940) 4.853 6.198 ( -6.764 6.784 4.602) 10.628 6.232 ( -0.330 -0.249 -3.061) 3.089 6.378 ( -9.241 1.706 -3.128) 9.904 6.401 ( -14.499 0.415 4.183) 15.096 6.518 ( -2.416 0.846 4.208) 4.926 6.653 ( -12.814 -2.935 0.011) 13.146 6.731 ( -0.309 -0.780 0.074) 0.842 6.797 ( -6.700 -0.731 2.841) 7.315 6.939 ( -2.447 6.610 -8.090) 10.730 7.001 ( -3.066 2.583 1.836) 4.409 7.213 ( -3.289 -5.571 3.067) 7.160 7.232 ( -5.935 -2.484 -11.778) 13.420 7.373 ( -5.881 -8.289 -3.076) 10.619 7.420 ( -4.053 4.711 -3.430) 7.098 7.502 ( -5.873 5.968 4.019) 9.287 7.574 ( -5.041 0.808 -5.754) 7.692 7.705 ( -5.379 -3.679 -6.071) 8.906 7.878 ( 4.294 -8.608 -0.852) 9.657 7.917 ( 1.608 -7.493 -2.838) 8.173 7.992 ( 4.306 0.282 7.529) 8.678 8.229 ( -3.899 2.618 -2.119) 5.152 8.312 ( 1.343 -0.768 -1.560) 2.197 8.460 ( 6.597 -2.957 -5.110) 8.853 8.526 ( 1.639 0.611 0.355) 1.785 8.606 ( 3.492 -15.770 -2.005) 16.276 8.727 ( -2.835 -2.019 -3.776) 5.135 8.842 ( 0.344 6.414 -14.775) 16.111 8.970 ( 2.106 -6.628 5.065) 8.603 9.046 ( -2.801 0.259 13.785) 14.069 9.223 ( 6.128 -0.860 -1.503) 6.368 9.355 ( 5.476 -4.230 5.621) 8.915 9.637 ( 9.776 -10.194 9.361) 16.944 9.765 ( 10.713 -13.208 -4.525) 17.599 9.868 ( 1.327 -12.328 -1.798) 12.529 10.017 ( -8.914 -1.601 4.743) 10.223 10.213 ( 1.700 7.885 -2.782) 8.533 10.277 ( 4.479 1.210 -10.246) 11.247 10.477 ( 0.060 3.322 -3.165) 4.589 10.538 ( 5.451 4.842 0.039) 7.291 10.789 ( -7.530 1.455 -2.780) 8.157 10.952 ( -1.474 -6.113 12.523) 14.013 11.071 ( -2.515 5.207 0.974) 5.864 11.118 ( -1.120 0.730 3.716) 3.949 11.284 ( 4.128 0.316 4.728) 6.285 11.360 ( 3.369 -1.114 6.517) 7.420 11.502 ( 0.794 -6.924 -4.802) 8.464 11.638 ( 8.967 5.111 2.706) 10.671 11.667 ( -1.125 8.239 -0.775) 8.351 12.036 ( 7.859 7.702 4.846) 12.023 12.190 ( -0.865 -1.197 -2.974) 3.320 12.329 ( 0.794 -3.812 1.190) 4.072 12.362 ( 8.951 -3.845 -5.593) 11.233 12.502 ( -1.359 3.800 1.515) 4.311 12.625 ( -1.475 5.321 -1.569) 5.740 12.759 ( -4.385 -0.010 -3.542) 5.637 13.003 ( -6.126 1.810 1.143) 6.489 13.127 ( -5.708 1.031 -1.419) 5.971 13.276 ( 0.661 3.325 2.884) 4.451 13.353 ( 0.807 6.383 -0.004) 6.434 13.534 ( 6.109 4.157 1.754) 7.594 13.703 ( 2.834 -1.669 -3.236) 4.614 13.833 ( 5.604 -6.528 3.481) 9.281 14.020 ( -0.377 -0.084 1.935) 1.973 15.512 ( 3.699 0.649 2.072) 4.289 15.600 ( 6.496 0.821 3.659) 7.500 15.729 ( 0.077 0.492 -2.918) 2.960 15.787 ( 5.328 -0.879 3.220) 6.287 16.064 ( -1.430 -0.004 4.420) 4.645 16.192 ( -7.329 2.076 -4.502) 8.848 16.247 ( -8.001 4.583 -7.489) 11.879 16.449 ( -2.658 1.498 -1.775) 3.530 17.149 ( 7.963 -3.181 3.438) 9.239 17.343 ( 4.640 1.480 3.367) 5.921 17.485 ( -1.519 -4.125 -3.647) 5.712 17.550 ( 2.887 4.425 1.566) 5.511 17.933 ( -2.702 5.061 2.603) 6.300 18.023 ( -3.982 10.627 -3.721) 11.944 18.225 ( -0.962 1.713 -8.747) 8.965 18.350 ( -7.734 7.251 -4.341) 11.456 18.899 ( -0.139 -3.571 0.997) 3.710 19.084 ( -1.572 2.295 -3.416) 4.405 19.317 ( 1.605 1.830 -1.338) 2.777 19.438 ( 2.394 -3.892 8.246) 9.427 19.495 ( 4.581 0.767 -2.337) 5.199 19.642 ( -1.708 6.314 -7.384) 9.864 19.726 ( -2.651 2.002 8.204) 8.851 19.927 ( 2.374 9.472 -0.639) 9.786 20.321 ( -12.582 -2.193 -13.901) 18.877 20.583 ( -15.818 1.440 -14.012) 21.181 20.894 ( 5.393 -5.933 5.895) 9.951 21.021 ( 14.086 -4.332 12.542) 19.352 21.163 ( -2.618 -0.836 0.229) 2.758 21.429 ( 12.770 -4.307 2.397) 13.688 21.832 ( -9.415 -6.038 9.877) 14.922 21.908 ( -9.529 -5.727 -2.424) 11.379 22.051 ( 1.958 2.455 3.153) 4.450 22.192 ( 2.464 0.252 0.399) 2.509 22.304 ( -7.620 -2.668 2.047) 8.329 22.342 ( -5.330 -1.894 4.199) 7.045 22.623 ( 0.632 1.907 2.143) 2.938 22.707 ( -0.741 2.271 -0.932) 2.564 22.788 ( -0.774 4.162 3.808) 5.695 22.862 ( -1.750 0.653 0.868) 2.059 22.969 ( -1.812 -0.962 3.375) 3.949 23.063 ( -0.376 2.607 -4.874) 5.540 23.397 ( 4.517 1.777 -0.315) 4.864 23.423 ( 5.639 0.327 -6.199) 8.386 23.648 ( -4.382 -0.473 -1.974) 4.830 23.714 ( -6.315 1.188 4.932) 8.100 23.977 ( 1.172 -0.054 -4.288) 4.446 24.069 ( -5.005 -0.160 -1.248) 5.161 24.235 ( -0.098 2.366 2.200) 3.233 24.306 ( 4.877 -0.122 0.960) 4.972 24.482 ( -5.231 -2.055 -1.385) 5.788 24.652 ( -6.565 2.063 -0.669) 6.914 24.771 ( 3.465 -1.630 -1.496) 4.111 24.880 ( -0.922 -1.124 -1.235) 1.907 25.167 ( 0.095 -7.871 1.446) 8.004 25.262 ( -2.062 -6.435 -2.880) 7.345 25.342 ( 0.960 0.819 2.598) 2.888 25.503 ( -1.056 0.737 -0.593) 1.418 25.541 ( -0.253 5.676 0.891) 5.751 25.570 ( 0.540 7.806 -2.205) 8.129 26.132 ( 7.149 -1.308 5.853) 9.331 26.368 ( 8.622 -4.478 -5.325) 11.079 26.527 ( 3.190 -3.761 11.629) 12.632 26.642 ( 2.377 -4.065 -11.237) 12.184 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -2.815 -17.069 9.334) 19.656 2.112 ( -14.511 -0.073 1.632) 14.603 2.170 ( -1.469 5.509 -0.100) 5.702 2.273 ( 10.617 -5.328 -9.766) 15.378 2.606 ( 11.886 -1.744 2.780) 12.331 2.716 ( -4.784 -8.359 -7.136) 11.987 2.748 ( 0.454 -15.476 7.455) 17.184 2.882 ( 3.128 -7.514 -5.149) 9.631 3.147 ( -2.180 2.609 2.126) 4.010 3.228 ( 1.209 6.339 -2.051) 6.771 3.375 ( 5.068 9.808 7.127) 13.141 3.529 ( -1.164 -8.958 6.303) 11.015 3.582 ( 0.116 -2.299 0.129) 2.305 3.628 ( -4.330 6.446 -9.626) 12.368 3.803 ( 1.715 -0.532 2.765) 3.296 3.877 ( -1.107 6.414 -1.314) 6.640 3.954 ( -7.882 1.994 12.553) 14.956 4.083 ( -4.724 0.648 1.268) 4.934 4.179 ( 6.920 3.427 0.996) 7.786 4.293 ( -6.139 6.508 3.503) 9.608 4.316 ( 1.777 0.876 -1.197) 2.315 4.517 ( 2.931 4.344 -4.290) 6.773 4.566 ( -3.818 -1.703 -3.452) 5.422 4.604 ( -5.567 -0.257 4.650) 7.258 4.663 ( 7.275 -4.383 -3.298) 9.111 4.804 ( 6.072 4.376 -10.733) 13.084 4.945 ( -4.751 3.686 8.286) 10.238 4.995 ( -3.438 -1.318 3.266) 4.921 5.185 ( -2.331 -3.727 -0.662) 4.446 5.280 ( 6.282 -10.611 -6.297) 13.846 5.356 ( -2.193 1.904 6.499) 7.118 5.424 ( 7.154 1.873 2.731) 7.884 5.485 ( -2.980 5.313 2.305) 6.513 5.559 ( 1.026 2.179 -3.509) 4.256 5.597 ( -8.860 -1.376 7.647) 11.785 5.698 ( -0.712 -2.660 -0.928) 2.906 5.764 ( 2.906 -6.869 4.080) 8.501 5.845 ( -5.965 3.338 -1.665) 7.035 5.926 ( -2.186 -1.119 -3.834) 4.553 5.951 ( 7.293 5.285 -9.029) 12.753 5.998 ( 1.516 -1.237 8.757) 8.973 6.137 ( 4.951 -4.953 0.734) 7.042 6.195 ( 0.078 -4.038 8.203) 9.144 6.230 ( -1.180 6.021 -4.046) 7.350 6.330 ( 4.563 3.926 -6.131) 8.592 6.452 ( -2.203 -2.551 -2.715) 4.328 6.594 ( 1.463 -2.331 4.718) 5.462 6.675 ( 1.800 7.004 16.575) 18.084 6.775 ( 1.447 2.710 -3.298) 4.507 6.980 ( 5.651 -1.808 -9.994) 11.622 7.028 ( 5.765 3.975 0.335) 7.011 7.052 ( -5.315 -0.183 -2.932) 6.073 7.100 ( -2.270 -1.594 -9.295) 9.700 7.255 ( -5.240 -0.795 -13.419) 14.427 7.377 ( -1.437 -10.566 10.466) 14.941 7.464 ( -1.973 4.937 -2.421) 5.842 7.526 ( 0.177 4.119 -7.521) 8.577 7.638 ( 5.421 -5.177 -13.130) 15.119 7.917 ( -3.597 -0.514 6.572) 7.509 7.943 ( -1.921 -4.817 1.500) 5.399 8.094 ( 3.960 -0.396 -0.472) 4.008 8.157 ( 1.574 -2.522 -0.596) 3.032 8.344 ( 0.135 0.830 6.017) 6.076 8.435 ( -2.943 -3.605 -3.837) 6.032 8.583 ( 3.558 1.937 4.140) 5.792 8.628 ( -2.570 -10.747 -2.088) 11.245 8.715 ( -0.129 -6.158 -12.664) 14.083 8.784 ( -1.905 3.237 -12.389) 12.946 9.002 ( -1.750 -2.840 10.832) 11.334 9.074 ( 4.906 -5.109 2.308) 7.449 9.366 ( 5.550 1.113 0.586) 5.691 9.396 ( -2.539 -1.892 -0.713) 3.245 9.805 ( -7.230 -11.755 10.201) 17.161 9.842 ( 2.092 -8.374 8.112) 11.845 9.884 ( -3.225 -5.649 0.779) 6.551 9.939 ( 6.539 -6.225 1.070) 9.091 10.142 ( -9.493 3.087 -1.716) 10.129 10.258 ( 4.260 0.129 -7.771) 8.863 10.531 ( -7.177 4.664 2.918) 9.043 10.585 ( 4.323 7.386 -0.199) 8.560 10.735 ( -13.601 1.694 0.646) 13.722 10.811 ( 12.678 -2.277 -2.065) 13.045 11.023 ( -7.059 -0.421 15.310) 16.865 11.201 ( 7.082 -2.765 -3.725) 8.466 11.347 ( 1.214 -0.158 4.919) 5.069 11.428 ( 2.211 -0.400 6.611) 6.982 11.475 ( -3.669 -3.347 -5.700) 7.560 11.602 ( -0.935 -1.489 -9.901) 10.056 11.884 ( 9.700 6.134 10.281) 15.408 12.034 ( -6.390 6.560 -4.291) 10.113 12.216 ( -0.855 -1.452 4.644) 4.940 12.314 ( -1.558 1.334 3.284) 3.872 12.437 ( 1.002 -2.694 -5.031) 5.794 12.580 ( 3.133 0.539 -12.278) 12.683 12.628 ( 2.662 0.404 2.471) 3.654 12.715 ( -0.104 5.230 -5.561) 7.634 12.933 ( 1.918 0.045 3.868) 4.317 13.012 ( -2.497 3.046 -2.978) 4.938 13.288 ( -0.455 5.348 4.358) 6.913 13.366 ( 1.792 4.583 -3.508) 6.043 13.632 ( 0.544 -0.189 3.780) 3.824 13.691 ( -3.028 -1.249 -1.290) 3.520 13.929 ( -0.283 1.079 4.630) 4.763 13.984 ( 0.960 -1.321 -0.423) 1.687 15.601 ( 3.310 0.508 4.903) 5.937 15.668 ( -3.204 0.177 -0.606) 3.266 15.804 ( 6.673 3.505 2.793) 8.038 15.848 ( -2.593 1.771 -0.541) 3.186 15.950 ( -5.079 -0.799 1.855) 5.466 16.056 ( -3.575 0.204 -8.529) 9.250 16.250 ( 8.059 -0.693 5.114) 9.570 16.379 ( -2.490 -1.429 -7.439) 7.974 17.300 ( 3.090 -1.604 5.368) 6.398 17.355 ( -8.618 0.652 0.424) 8.653 17.488 ( -0.607 6.286 0.099) 6.316 17.526 ( 4.350 -1.009 0.424) 4.486 17.869 ( -0.395 7.968 0.453) 7.990 18.037 ( 3.791 10.371 -12.537) 16.707 18.142 ( -5.608 1.412 6.928) 9.025 18.309 ( 4.024 1.106 -9.952) 10.792 18.931 ( 1.763 2.298 3.365) 4.440 19.029 ( -1.955 1.191 -5.740) 6.180 19.369 ( 2.975 1.799 2.628) 4.358 19.465 ( -0.772 -2.648 -3.144) 4.183 19.532 ( -2.173 1.316 2.285) 3.417 19.634 ( 1.776 0.776 -3.466) 3.971 19.778 ( 5.264 3.083 11.125) 12.688 19.982 ( 2.211 12.673 -2.774) 13.160 20.096 ( -6.977 -3.079 -4.104) 8.661 20.229 ( -10.165 6.022 -12.186) 16.974 21.018 ( 3.760 -5.772 4.113) 8.024 21.107 ( -0.765 -3.725 -3.243) 4.998 21.358 ( 14.433 -5.420 15.524) 21.879 21.541 ( -14.376 -7.913 0.490) 16.417 21.682 ( -11.606 -2.296 5.379) 12.996 21.732 ( 10.674 -6.514 1.990) 12.662 22.124 ( 3.641 0.573 4.217) 5.601 22.161 ( -5.089 0.213 0.455) 5.113 22.233 ( -2.288 -0.273 4.091) 4.695 22.287 ( 3.443 0.090 -1.486) 3.751 22.651 ( 1.255 1.742 1.941) 2.894 22.690 ( -0.804 2.245 -1.107) 2.629 22.777 ( -0.903 1.756 4.907) 5.289 22.854 ( 0.645 3.855 0.542) 3.945 22.954 ( 0.012 -0.753 0.321) 0.819 23.057 ( 1.087 1.990 -6.346) 6.739 23.429 ( -5.860 -2.336 4.182) 7.569 23.485 ( 0.568 -0.640 -0.699) 1.105 23.560 ( -2.123 2.555 3.877) 5.105 23.683 ( 6.014 0.799 -8.177) 10.182 23.982 ( 1.572 1.506 -1.400) 2.588 24.006 ( -0.976 -0.636 -3.797) 3.972 24.316 ( 4.876 -0.071 -0.033) 4.877 24.339 ( -1.948 -0.064 -1.758) 2.625 24.470 ( 5.302 1.560 1.828) 5.821 24.494 ( -7.368 1.466 -0.274) 7.517 24.817 ( -0.259 -2.207 0.826) 2.370 24.870 ( 1.337 -0.301 -4.158) 4.378 25.171 ( 0.016 -8.658 2.141) 8.919 25.220 ( -0.883 -6.585 -2.509) 7.102 25.384 ( 1.889 0.465 3.419) 3.933 25.459 ( -2.190 -0.198 -3.872) 4.453 25.537 ( -0.713 6.694 2.648) 7.234 25.598 ( 1.650 6.850 -2.917) 7.626 26.254 ( 2.417 -2.730 8.039) 8.827 26.417 ( -3.620 -4.794 -7.775) 9.825 26.536 ( -3.817 -1.782 8.142) 9.167 26.698 ( 5.385 -3.895 -7.770) 10.224 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -20.975 -2.519 12.886) 24.746 1.831 ( -12.477 5.501 17.663) 22.314 2.260 ( 0.976 -13.423 -2.620) 13.711 2.461 ( 2.745 -2.783 -12.625) 13.216 2.559 ( -5.564 -6.523 0.235) 8.577 2.611 ( -0.574 0.986 -11.848) 11.903 2.767 ( 2.685 -6.903 2.712) 7.888 2.885 ( -4.412 -5.579 -5.688) 9.108 3.134 ( -1.260 7.657 2.701) 8.216 3.302 ( -10.078 9.463 4.406) 14.510 3.414 ( -0.995 -3.123 0.566) 3.326 3.443 ( 4.016 6.186 6.528) 9.850 3.499 ( 1.774 0.408 5.215) 5.524 3.667 ( -7.916 0.026 8.670) 11.740 3.810 ( 1.751 -1.394 -3.616) 4.253 3.849 ( -3.540 1.189 1.592) 4.060 3.896 ( 1.180 -4.093 8.827) 9.802 4.082 ( 5.710 1.814 5.977) 8.463 4.132 ( -4.263 5.175 -4.255) 7.941 4.275 ( -0.599 4.098 2.579) 4.879 4.313 ( -2.483 -6.424 -4.893) 8.448 4.481 ( -3.365 0.422 -8.862) 9.488 4.489 ( -2.207 -1.955 7.200) 7.780 4.639 ( 6.552 0.245 -4.067) 7.716 4.803 ( -1.735 -5.705 5.022) 7.796 4.841 ( -4.972 7.653 -5.631) 10.724 4.891 ( -4.583 0.210 6.772) 8.180 4.937 ( 4.476 2.787 3.627) 6.400 5.133 ( -2.381 9.262 -6.027) 11.304 5.160 ( -2.784 -3.431 -8.145) 9.266 5.253 ( -4.961 1.283 0.418) 5.141 5.373 ( 0.581 -9.402 3.875) 10.186 5.433 ( -9.941 -3.222 2.479) 10.740 5.542 ( -1.976 -0.420 -0.653) 2.123 5.621 ( 0.373 4.872 1.382) 5.078 5.715 ( 4.593 1.047 1.788) 5.038 5.764 ( 7.142 3.713 -0.695) 8.080 5.883 ( 4.538 -5.238 -3.051) 7.572 6.013 ( -0.353 -3.424 0.362) 3.461 6.037 ( 3.913 -3.502 -4.579) 6.967 6.073 ( 1.685 3.643 -3.550) 5.359 6.133 ( -0.921 2.479 -0.945) 2.808 6.296 ( 3.354 -1.538 2.108) 4.250 6.334 ( 8.407 -3.612 0.472) 9.162 6.456 ( 8.217 -1.388 12.415) 14.953 6.510 ( 10.333 3.376 -1.039) 10.920 6.615 ( 2.398 9.088 -2.344) 9.687 6.742 ( 0.065 -1.449 -8.298) 8.423 6.902 ( -0.562 5.195 -4.962) 7.205 6.976 ( 11.373 -0.234 -2.280) 11.601 7.116 ( 5.360 -12.563 -1.515) 13.742 7.134 ( 6.014 -1.289 -0.872) 6.212 7.271 ( 10.952 8.623 -4.739) 14.723 7.295 ( 1.929 -5.075 -4.675) 7.164 7.323 ( 8.532 -4.958 2.929) 10.294 7.478 ( 5.291 0.281 -1.731) 5.574 7.575 ( 2.577 1.844 -1.349) 3.444 7.763 ( 6.174 -1.893 -9.681) 11.637 7.834 ( -0.652 -6.658 4.023) 7.806 7.854 ( -3.130 -1.080 0.869) 3.423 8.153 ( 0.292 -1.546 2.366) 2.842 8.228 ( -0.038 -5.489 -5.144) 7.522 8.283 ( 0.650 4.699 1.910) 5.114 8.457 ( -4.472 -0.390 0.439) 4.511 8.489 ( -5.789 -4.818 -1.579) 7.695 8.584 ( -6.325 1.195 -7.885) 10.178 8.654 ( -3.397 -3.318 0.783) 4.812 8.777 ( 5.980 -4.212 -3.207) 7.986 8.972 ( -2.921 -4.321 2.205) 5.663 9.172 ( -0.750 -5.508 4.267) 7.008 9.289 ( -1.704 -2.605 -3.601) 4.759 9.429 ( 1.849 -1.556 -2.270) 3.315 9.606 ( -12.754 -7.307 2.382) 14.891 9.798 ( -3.819 -6.474 4.226) 8.623 9.818 ( -7.415 -9.460 1.173) 12.076 9.949 ( -2.661 0.648 10.251) 10.610 10.069 ( 2.338 4.544 6.868) 8.561 10.278 ( -13.707 -0.011 -2.971) 14.025 10.393 ( 5.320 -4.503 1.135) 7.061 10.442 ( -9.983 3.763 4.414) 11.545 10.775 ( 6.281 4.393 1.393) 7.790 10.942 ( -0.007 -3.651 13.256) 13.750 11.056 ( 7.613 4.513 -1.321) 8.948 11.224 ( -3.199 2.851 -2.904) 5.176 11.352 ( -3.634 -1.638 -0.587) 4.029 11.410 ( -0.490 2.912 2.601) 3.935 11.468 ( -0.373 -0.776 3.500) 3.604 11.574 ( 0.426 -1.443 -10.159) 10.269 11.853 ( -5.721 7.547 -7.818) 12.280 11.951 ( -11.339 1.283 14.075) 18.120 12.181 ( 3.942 0.174 -3.756) 5.448 12.319 ( 0.225 -3.755 -0.888) 3.865 12.432 ( -1.689 2.803 -6.995) 7.723 12.587 ( -0.451 -1.533 -6.882) 7.065 12.647 ( 3.584 0.865 0.098) 3.688 12.712 ( 0.588 4.353 -1.737) 4.723 13.002 ( 1.685 7.085 0.481) 7.299 13.123 ( 10.143 -4.737 -1.682) 11.320 13.287 ( 0.575 3.254 0.630) 3.363 13.426 ( 3.896 3.535 -4.201) 6.732 13.543 ( -6.245 -1.426 4.299) 7.715 13.586 ( -8.259 0.624 2.141) 8.555 13.892 ( -2.479 -3.163 -0.776) 4.093 14.014 ( -1.193 0.245 2.863) 3.111 15.554 ( -6.310 1.166 -1.650) 6.625 15.648 ( -3.835 0.563 2.917) 4.851 15.660 ( -3.250 -0.132 -0.107) 3.254 15.846 ( -4.283 -2.718 -1.354) 5.250 16.001 ( 6.433 2.934 5.643) 9.046 16.120 ( 6.518 6.623 1.418) 9.400 16.307 ( 1.002 -2.429 -8.677) 9.066 16.462 ( 7.328 0.442 -2.860) 7.879 17.161 ( -7.961 -0.717 2.415) 8.350 17.299 ( -3.794 -1.585 9.192) 10.070 17.360 ( -5.949 2.023 1.771) 6.528 17.702 ( 4.306 -1.219 -8.500) 9.606 17.900 ( 2.459 11.784 3.476) 12.529 18.009 ( -0.233 3.976 -1.909) 4.417 18.231 ( 10.134 6.013 -8.353) 14.444 18.371 ( 3.061 3.509 -4.926) 6.778 18.943 ( 0.155 3.474 0.221) 3.484 19.032 ( 1.910 -0.660 -1.785) 2.696 19.356 ( -4.286 -6.144 -3.153) 8.128 19.446 ( -3.631 -0.198 1.461) 3.919 19.506 ( 2.448 3.571 4.063) 5.937 19.626 ( -1.312 -1.480 -8.640) 8.863 19.865 ( -4.652 10.021 1.468) 11.145 19.876 ( 0.332 3.332 -3.008) 4.502 20.111 ( 8.724 9.844 7.258) 15.023 20.320 ( 12.301 2.559 9.399) 15.691 20.998 ( -4.129 -8.555 -3.389) 10.086 21.121 ( -6.143 -5.015 -1.827) 8.138 21.254 ( -4.535 -5.182 -2.328) 7.269 21.420 ( -11.835 -0.091 2.075) 12.016 21.672 ( 11.188 -6.448 17.787) 21.980 21.933 ( 5.707 -3.714 1.351) 6.942 22.079 ( -2.457 1.400 -0.258) 2.839 22.161 ( -0.104 0.899 4.725) 4.811 22.281 ( 5.908 -1.496 3.689) 7.124 22.389 ( 5.255 -3.003 -0.417) 6.067 22.664 ( -0.448 0.727 0.627) 1.059 22.682 ( 0.459 2.248 -0.593) 2.370 22.777 ( 0.332 0.904 4.153) 4.263 22.881 ( 1.786 5.449 0.259) 5.741 22.970 ( 1.187 -0.027 1.058) 1.591 23.096 ( 3.768 1.122 -6.222) 7.360 23.281 ( -7.683 -1.358 5.116) 9.330 23.399 ( -4.585 3.817 0.653) 6.002 23.604 ( 2.177 0.019 2.190) 3.087 23.830 ( 6.917 -1.151 -4.447) 8.304 23.978 ( -1.175 -0.072 -5.041) 5.177 24.082 ( 8.034 0.545 -2.217) 8.352 24.292 ( -1.721 0.110 -1.742) 2.451 24.325 ( -3.681 1.133 -2.761) 4.739 24.476 ( 6.576 -0.841 -0.754) 6.672 24.618 ( 7.192 1.992 2.796) 7.970 24.770 ( -3.277 -3.742 -1.471) 5.187 24.905 ( 1.920 0.581 -3.932) 4.414 25.175 ( 0.261 -8.426 2.080) 8.683 25.220 ( 0.642 -7.385 -0.075) 7.413 25.405 ( -1.187 -0.950 -2.318) 2.772 25.434 ( 1.765 1.364 2.510) 3.358 25.523 ( -0.599 7.420 1.852) 7.671 25.619 ( 1.004 7.935 -3.609) 8.775 26.229 ( -6.527 -4.060 4.413) 8.863 26.264 ( -7.882 -2.231 -3.277) 8.823 26.433 ( -6.644 -1.297 9.431) 11.609 26.759 ( 0.379 -6.560 -11.297) 13.069 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -6.458 6.179 22.900) 24.582 1.676 ( -5.558 15.005 25.155) 29.814 2.202 ( -8.315 -4.970 -7.549) 12.281 2.222 ( -5.446 0.205 -11.173) 12.431 2.541 ( -10.233 8.051 6.419) 14.517 2.671 ( 5.497 -5.031 -3.394) 8.188 2.747 ( 2.292 4.615 -6.997) 8.689 2.880 ( 5.330 -4.941 -4.217) 8.403 3.116 ( -4.138 4.373 3.795) 7.117 3.165 ( 0.819 -0.138 13.356) 13.382 3.318 ( -15.730 5.005 11.821) 20.303 3.373 ( -6.051 -3.678 5.696) 9.088 3.481 ( -0.790 -4.627 9.183) 10.313 3.662 ( -8.748 -6.874 -3.171) 11.569 3.725 ( -1.709 -5.191 -3.563) 6.524 3.766 ( 0.532 1.231 0.475) 1.423 3.908 ( 1.578 0.317 6.766) 6.955 4.100 ( 2.478 1.820 -3.616) 4.746 4.172 ( -3.000 2.027 -3.984) 5.384 4.285 ( 2.559 7.304 -9.334) 12.125 4.358 ( -2.235 -0.032 -1.903) 2.936 4.401 ( 5.333 -2.942 -4.132) 7.360 4.486 ( -2.313 -3.968 0.571) 4.629 4.560 ( -3.490 4.122 7.044) 8.877 4.634 ( -4.059 -1.351 -1.242) 4.455 4.820 ( -1.578 -4.546 -7.139) 8.609 4.932 ( -0.606 1.548 4.562) 4.855 5.007 ( -5.628 -5.099 -5.159) 9.181 5.077 ( 9.390 3.279 2.569) 10.273 5.125 ( -1.774 6.949 -2.168) 7.492 5.217 ( 1.219 -6.190 7.122) 9.514 5.354 ( -3.755 -0.059 1.231) 3.952 5.456 ( -1.221 -1.320 -6.378) 6.626 5.513 ( 10.799 8.762 -7.670) 15.881 5.647 ( 0.429 4.115 -1.577) 4.428 5.776 ( -3.480 0.633 -4.382) 5.631 5.813 ( 2.189 -3.303 -1.202) 4.141 5.923 ( -1.035 -1.301 -2.066) 2.652 5.953 ( -4.978 4.539 -4.720) 8.225 6.032 ( 1.826 0.812 -1.303) 2.386 6.162 ( 6.720 -2.782 2.712) 7.762 6.280 ( 11.560 -3.763 4.438) 12.941 6.329 ( -2.373 2.024 7.182) 7.830 6.501 ( 5.732 2.649 -1.584) 6.510 6.558 ( 5.176 -3.028 -2.569) 6.524 6.604 ( -4.225 2.530 0.545) 4.954 6.717 ( 4.623 -1.119 3.686) 6.018 6.821 ( 2.096 0.928 -1.536) 2.759 6.935 ( 7.455 3.330 7.173) 10.868 7.196 ( 7.407 -8.653 -5.680) 12.728 7.274 ( 10.104 0.117 0.015) 10.105 7.302 ( 10.025 -4.141 -0.157) 10.848 7.337 ( 4.446 -6.551 -7.733) 11.067 7.424 ( 4.282 -8.805 -4.966) 10.978 7.447 ( -0.579 6.799 -0.545) 6.845 7.639 ( 8.050 -1.355 2.294) 8.479 7.676 ( 8.706 -4.552 2.621) 10.168 7.834 ( 0.449 -3.268 -7.220) 7.938 7.909 ( 6.497 1.036 -4.438) 7.936 7.985 ( 10.060 -5.098 -3.189) 11.720 8.084 ( -8.022 0.322 1.154) 8.111 8.164 ( -4.998 -1.276 -5.988) 7.903 8.226 ( -3.181 -3.367 -10.365) 11.353 8.305 ( -3.095 5.900 -7.601) 10.108 8.405 ( -5.638 -6.718 1.048) 8.833 8.508 ( -2.594 1.114 7.779) 8.275 8.526 ( -1.887 -1.331 6.594) 6.986 8.861 ( -2.180 -6.257 8.091) 10.458 8.961 ( 3.663 0.528 -2.063) 4.237 9.125 ( -2.260 -6.983 -0.309) 7.346 9.236 ( -4.208 -13.333 7.529) 15.880 9.387 ( -5.379 -0.769 -6.485) 8.461 9.470 ( -5.639 2.583 0.088) 6.203 9.648 ( 0.996 -19.423 -10.868) 22.279 9.749 ( -3.318 -5.122 1.653) 6.323 9.912 ( -5.075 5.169 12.195) 14.184 9.966 ( -5.740 3.757 3.631) 7.761 10.175 ( -9.668 -3.668 8.006) 13.078 10.286 ( 8.886 5.018 5.857) 11.766 10.543 ( 6.578 -4.048 0.060) 7.725 10.805 ( -4.871 7.859 5.313) 10.664 10.948 ( -8.666 14.277 11.797) 20.448 11.096 ( 3.350 -3.515 -0.290) 4.865 11.208 ( 0.810 -2.041 2.075) 3.021 11.299 ( -1.148 1.513 -0.254) 1.916 11.355 ( -3.248 -2.125 -3.495) 5.224 11.467 ( 1.659 7.194 -1.996) 7.648 11.490 ( -6.931 1.337 -4.474) 8.357 11.655 ( -10.905 7.386 4.754) 14.002 11.876 ( 3.001 1.282 -6.396) 7.180 12.203 ( -1.937 -2.453 -2.241) 3.846 12.314 ( -7.178 3.763 -6.681) 10.503 12.374 ( 5.605 -1.145 -4.248) 7.125 12.562 ( -2.102 -0.849 -2.772) 3.581 12.725 ( 4.109 9.829 -5.204) 11.856 12.839 ( 8.568 -9.586 5.608) 14.027 12.981 ( -2.229 7.413 3.184) 8.370 13.262 ( -1.794 -0.190 -3.132) 3.614 13.298 ( 1.720 1.193 -4.372) 4.847 13.408 ( -0.626 -1.515 -1.633) 2.314 13.425 ( -6.341 -1.011 10.133) 11.996 13.564 ( 5.401 -3.844 -4.318) 7.911 13.759 ( -7.802 -1.491 -3.238) 8.578 13.923 ( -8.443 -2.304 2.306) 9.050 15.450 ( -1.866 2.508 0.825) 3.233 15.550 ( -2.345 0.296 -1.001) 2.567 15.671 ( 0.172 0.261 3.688) 3.701 15.773 ( -1.867 -5.264 -2.746) 6.224 16.108 ( 2.695 3.620 5.221) 6.901 16.233 ( 2.489 11.324 2.261) 11.812 16.359 ( 5.603 -0.888 -7.207) 9.172 16.574 ( 3.895 4.181 -5.955) 8.253 17.048 ( -2.887 -2.367 3.225) 4.934 17.205 ( -5.196 1.913 10.839) 12.171 17.304 ( -1.191 -9.851 4.699) 10.979 17.620 ( -6.576 -3.919 -7.802) 10.930 17.953 ( 0.403 16.560 -1.854) 16.669 18.057 ( 3.576 6.741 -8.264) 11.248 18.394 ( 5.587 4.614 0.759) 7.285 18.493 ( 9.111 4.809 -7.510) 12.749 18.968 ( 1.832 2.873 1.294) 3.645 19.052 ( 0.068 -0.463 -0.956) 1.065 19.269 ( -1.883 -7.485 -2.174) 8.019 19.375 ( -3.594 -6.422 2.799) 7.873 19.525 ( -0.142 5.411 1.587) 5.641 19.632 ( 2.889 3.130 -7.568) 8.684 19.790 ( -2.641 6.704 5.168) 8.867 19.909 ( 1.989 5.351 -4.443) 7.234 20.405 ( 14.937 5.648 9.922) 18.800 20.582 ( 8.211 3.996 13.853) 16.592 20.826 ( -10.361 -10.391 -1.960) 14.804 20.942 ( -2.846 -1.709 -0.599) 3.373 21.201 ( -7.109 -5.225 -0.694) 8.850 21.287 ( 0.330 2.515 -8.310) 8.688 21.878 ( 4.730 -5.449 15.835) 17.401 21.979 ( -0.215 -0.510 1.804) 1.887 22.062 ( 1.191 1.544 0.526) 2.020 22.192 ( 1.427 0.820 2.191) 2.741 22.402 ( 3.719 -3.743 5.484) 7.611 22.483 ( 3.095 -6.269 -0.045) 6.991 22.658 ( -0.373 0.232 1.667) 1.724 22.687 ( 0.413 1.567 -1.912) 2.507 22.820 ( 3.299 0.138 2.578) 4.189 22.927 ( 1.867 3.560 1.118) 4.173 22.992 ( 0.343 0.228 3.722) 3.744 23.145 ( -5.393 -1.324 3.307) 6.463 23.188 ( 5.085 2.747 -3.861) 6.950 23.342 ( -0.620 7.454 -2.427) 7.864 23.646 ( 2.063 1.258 2.530) 3.499 23.857 ( -4.331 -0.290 0.420) 4.361 23.997 ( 4.982 0.509 -7.781) 9.253 24.155 ( -6.558 0.339 2.306) 6.960 24.301 ( 10.621 -3.684 -2.488) 11.514 24.392 ( 6.816 -0.379 -4.748) 8.315 24.606 ( 2.624 -3.453 0.068) 4.337 24.684 ( -1.854 -3.779 -5.425) 6.866 24.735 ( 2.203 2.482 0.091) 3.320 24.939 ( 1.416 -0.652 -3.533) 3.862 25.201 ( 0.923 -7.732 -0.428) 7.798 25.225 ( 1.133 -7.877 3.411) 8.659 25.413 ( 1.948 0.490 0.206) 2.019 25.483 ( 3.213 2.567 0.234) 4.119 25.548 ( 2.198 7.298 3.162) 8.252 25.639 ( 1.905 8.917 -5.122) 10.458 26.068 ( -5.876 -2.036 -3.675) 7.224 26.095 ( -7.803 -2.603 3.973) 9.135 26.285 ( -9.577 -2.760 13.162) 16.510 26.633 ( -9.912 -7.076 -14.309) 18.790 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -5.506 7.858 18.830) 21.134 1.887 ( -0.851 -1.629 -4.216) 4.599 2.089 ( -7.514 13.080 16.867) 22.628 2.415 ( 10.055 -7.247 -4.469) 13.176 2.447 ( 4.385 0.969 12.150) 12.954 2.587 ( -2.007 6.229 1.132) 6.642 2.764 ( -11.290 3.593 -1.703) 11.970 2.855 ( 6.585 -5.430 -3.646) 9.281 3.103 ( -4.377 2.599 9.298) 10.600 3.189 ( 8.215 -4.205 10.694) 14.126 3.268 ( 3.439 9.342 12.295) 15.820 3.350 ( -2.797 9.264 0.349) 9.683 3.515 ( 5.727 3.368 -3.872) 7.690 3.562 ( 1.379 5.395 5.017) 7.496 3.692 ( -7.205 -3.636 0.462) 8.083 3.721 ( 0.614 7.848 -13.455) 15.588 3.861 ( 3.357 -12.051 -11.173) 16.774 3.953 ( -2.679 -6.528 -11.346) 13.362 4.231 ( -5.506 -11.384 -5.242) 13.689 4.295 ( -3.926 -3.552 -4.087) 6.689 4.357 ( 4.359 1.048 1.111) 4.618 4.390 ( -1.135 -5.922 -3.906) 7.185 4.464 ( -1.193 4.408 7.204) 8.530 4.607 ( 8.301 5.668 -6.632) 12.043 4.647 ( -1.641 9.493 7.947) 12.489 4.785 ( -0.641 8.200 -4.939) 9.594 4.916 ( -2.529 4.686 5.942) 7.979 5.007 ( 4.401 2.573 0.613) 5.134 5.119 ( -1.411 -4.131 -3.447) 5.562 5.172 ( 2.378 -1.655 -8.256) 8.750 5.300 ( -0.012 2.558 -0.079) 2.559 5.324 ( -0.233 3.182 -2.869) 4.291 5.496 ( -1.802 -0.168 5.285) 5.586 5.564 ( -0.754 2.653 -0.653) 2.834 5.674 ( 0.087 -3.557 1.580) 3.893 5.718 ( -0.941 1.317 -5.280) 5.522 5.863 ( -2.505 0.992 2.650) 3.779 5.901 ( 1.809 -1.310 1.483) 2.681 6.009 ( -8.392 1.583 2.585) 8.923 6.039 ( 5.193 -3.024 1.997) 6.333 6.289 ( 4.820 0.354 8.875) 10.106 6.332 ( 3.358 6.031 4.879) 8.453 6.390 ( -1.592 -0.482 3.080) 3.501 6.473 ( 1.594 -5.583 1.785) 6.074 6.520 ( -6.458 -5.830 -8.210) 11.963 6.577 ( -5.266 1.358 -7.864) 9.561 6.775 ( 5.870 6.120 3.937) 9.349 6.868 ( 1.913 -8.711 5.345) 10.397 6.967 ( -1.144 -0.091 3.540) 3.721 7.014 ( -1.939 -10.182 1.012) 10.414 7.128 ( 3.436 -11.035 -1.823) 11.701 7.282 ( 2.781 -4.698 -8.644) 10.224 7.398 ( -8.818 -1.469 -4.680) 10.090 7.451 ( 3.527 -3.854 -0.945) 5.309 7.516 ( 6.121 -9.436 -4.715) 12.196 7.612 ( -3.489 -6.716 -7.685) 10.786 7.706 ( -3.845 0.115 6.606) 7.644 7.809 ( 7.048 -4.279 -4.749) 9.515 7.882 ( -3.272 -0.131 6.555) 7.328 7.965 ( -6.935 -1.591 4.016) 8.170 8.036 ( 0.868 4.990 -6.214) 8.017 8.135 ( -0.538 5.884 3.791) 7.020 8.186 ( 7.134 -5.671 -9.512) 13.173 8.304 ( -2.832 7.714 -7.022) 10.809 8.395 ( -5.021 5.630 2.681) 8.006 8.498 ( 4.773 5.075 -5.337) 8.776 8.644 ( 1.885 -8.766 10.864) 14.086 8.754 ( 7.372 -4.587 5.700) 10.387 8.789 ( -4.513 -13.550 3.823) 14.784 8.850 ( 3.631 -6.716 -6.735) 10.181 8.918 ( -3.582 -11.151 4.271) 12.467 9.127 ( -2.900 -12.693 -12.712) 18.197 9.367 ( -11.446 6.765 4.285) 13.969 9.535 ( 3.436 2.642 -5.678) 7.143 9.704 ( -5.605 -5.668 -4.302) 9.058 9.782 ( 11.862 -3.731 -6.381) 13.977 10.072 ( -0.200 8.547 11.671) 14.468 10.266 ( 9.749 7.284 -6.307) 13.707 10.437 ( -6.112 -4.470 9.505) 12.153 10.607 ( 7.257 -5.120 -7.448) 11.591 10.890 ( -4.244 8.037 6.669) 11.273 10.977 ( -0.889 7.669 1.268) 7.824 11.114 ( -0.923 -1.750 10.899) 11.078 11.185 ( -4.027 -1.615 5.558) 7.051 11.328 ( 2.721 0.051 0.446) 2.758 11.373 ( 6.198 -0.088 -3.975) 7.364 11.477 ( -3.617 7.364 1.859) 8.412 11.522 ( -3.060 6.094 -2.892) 7.407 11.754 ( 0.495 7.992 4.470) 9.170 11.886 ( -1.605 3.419 -5.196) 6.424 12.117 ( -6.554 -3.754 7.257) 10.475 12.175 ( 0.915 -3.870 0.594) 4.020 12.431 ( 1.473 -1.632 4.710) 5.198 12.550 ( -0.790 0.367 -4.999) 5.074 12.871 ( -1.849 2.049 4.879) 5.606 12.972 ( 5.513 0.350 -4.332) 7.020 13.057 ( 1.526 2.309 -0.339) 2.788 13.094 ( -3.444 -0.805 -2.350) 4.246 13.246 ( -2.145 -0.883 1.409) 2.714 13.289 ( 0.888 -1.200 -1.758) 2.306 13.534 ( 6.462 3.780 2.466) 7.882 13.613 ( 2.731 1.402 -1.446) 3.393 13.646 ( -8.520 -1.523 -1.558) 8.795 13.711 ( 1.012 -3.090 -4.452) 5.513 15.516 ( 0.809 2.430 0.744) 2.667 15.526 ( -1.234 0.908 -0.077) 1.534 15.656 ( -0.470 -1.691 0.788) 1.924 15.659 ( -0.222 -3.657 0.449) 3.691 16.278 ( -0.412 9.144 4.759) 10.316 16.390 ( 2.115 5.945 -6.620) 9.145 16.670 ( 9.520 10.762 2.240) 14.542 16.744 ( -6.367 10.537 -5.712) 13.572 16.921 ( -9.190 -4.860 3.737) 11.048 16.967 ( 7.295 -11.049 -0.077) 13.240 17.242 ( 2.065 -3.899 7.441) 8.651 17.385 ( -2.810 -7.698 -6.848) 10.680 18.245 ( 2.774 12.900 1.961) 13.340 18.346 ( -1.011 17.046 -7.930) 18.828 18.564 ( -3.572 6.664 2.883) 8.092 18.674 ( 6.668 -2.899 -5.732) 9.258 18.928 ( 0.235 -6.250 -0.643) 6.287 19.002 ( -3.489 -3.378 -5.393) 7.257 19.104 ( -3.370 -10.783 0.295) 11.302 19.142 ( 3.638 -8.366 -4.451) 10.151 19.712 ( -1.419 12.330 4.242) 13.116 19.798 ( -0.463 7.004 -1.820) 7.251 19.910 ( 1.839 8.471 -0.730) 8.699 19.974 ( -0.243 1.703 -5.757) 6.009 20.467 ( 0.496 -4.677 9.488) 10.590 20.527 ( 1.634 -6.697 4.429) 8.194 20.836 ( 4.568 -5.769 1.991) 7.623 20.892 ( -7.278 -6.843 -4.859) 11.109 21.205 ( 5.338 13.155 7.815) 16.205 21.343 ( -3.733 12.388 -6.719) 14.578 21.828 ( 1.178 -8.794 12.509) 15.336 21.934 ( -0.663 -6.665 -0.542) 6.720 22.124 ( 1.627 0.584 1.399) 2.224 22.159 ( -1.811 -2.518 -0.014) 3.101 22.381 ( 0.036 -1.616 2.369) 2.868 22.407 ( -0.665 -3.190 0.040) 3.259 22.682 ( -0.553 3.221 3.156) 4.543 22.741 ( 1.108 2.546 -2.120) 3.493 22.846 ( 0.988 -3.519 0.855) 3.753 22.868 ( -0.239 -3.825 -0.888) 3.934 23.021 ( -3.538 1.151 9.206) 9.929 23.076 ( -1.013 -0.296 5.741) 5.837 23.375 ( 3.021 5.428 -0.744) 6.257 23.466 ( 2.144 2.390 -7.554) 8.208 23.790 ( -2.145 4.440 -0.186) 4.934 23.824 ( 3.809 4.449 -2.942) 6.554 24.022 ( -6.631 0.914 2.773) 7.245 24.102 ( 4.187 0.408 -4.863) 6.430 24.329 ( -4.375 -6.813 1.264) 8.195 24.352 ( 2.589 -7.257 -0.860) 7.753 24.518 ( -0.370 -0.877 -0.035) 0.953 24.596 ( -0.095 -3.768 -7.183) 8.111 24.840 ( 3.625 1.966 0.986) 4.240 24.899 ( -2.060 0.969 -4.414) 4.967 25.068 ( -0.656 -5.428 2.525) 6.022 25.134 ( 1.727 -6.549 -3.540) 7.642 25.568 ( 3.479 6.517 7.432) 10.479 25.629 ( -7.460 5.052 4.018) 9.865 25.663 ( 3.538 2.452 -1.582) 4.586 25.739 ( -1.628 3.977 -5.849) 7.258 25.940 ( -5.014 -1.428 4.015) 6.580 26.013 ( 2.851 -3.165 -2.069) 4.736 26.098 ( 1.723 -1.470 8.455) 8.753 26.316 ( 0.365 -7.709 -11.726) 14.037 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -6.402 -3.269 14.277) 15.984 1.806 ( -4.131 -13.432 7.176) 15.779 2.087 ( 2.759 4.529 -2.594) 5.904 2.324 ( -7.164 -5.747 3.770) 9.928 2.478 ( -1.117 11.701 4.894) 12.732 2.741 ( 2.797 0.741 1.787) 3.400 2.796 ( 8.674 12.870 -3.170) 15.840 2.874 ( -8.227 10.684 -0.861) 13.512 3.055 ( 8.218 1.567 5.916) 10.247 3.329 ( -2.643 -4.334 1.608) 5.325 3.365 ( 5.654 -6.292 7.866) 11.551 3.436 ( 5.602 0.858 -2.652) 6.257 3.570 ( -0.914 2.762 -2.062) 3.566 3.631 ( 8.161 8.912 4.639) 12.944 3.704 ( 6.067 -2.723 2.647) 7.158 3.787 ( 5.294 2.094 -8.522) 10.249 3.895 ( 2.605 -11.510 -0.728) 11.824 3.952 ( 2.999 -0.876 -4.781) 5.712 4.163 ( -0.040 -5.624 4.260) 7.055 4.213 ( -2.966 3.986 4.045) 6.407 4.302 ( -1.751 -8.520 -6.264) 10.719 4.362 ( -2.996 2.086 -2.744) 4.566 4.513 ( 7.982 1.522 -2.484) 8.497 4.630 ( -1.388 7.466 -0.989) 7.658 4.765 ( 4.978 7.910 -2.387) 9.646 4.827 ( 0.139 -2.966 3.058) 4.262 4.913 ( 4.986 6.281 -4.253) 9.077 5.070 ( 2.863 1.566 -3.850) 5.047 5.114 ( -0.795 4.919 -0.583) 5.017 5.186 ( -6.176 -2.433 -1.605) 6.829 5.265 ( 5.650 -3.891 -6.087) 9.172 5.349 ( 2.251 6.561 3.698) 7.861 5.494 ( 0.849 1.454 5.921) 6.156 5.595 ( -0.875 3.607 2.832) 4.669 5.624 ( -8.371 -1.456 0.150) 8.498 5.658 ( 2.761 -1.569 -1.596) 3.554 5.802 ( -2.887 -6.843 -0.491) 7.444 5.834 ( -0.404 3.375 3.265) 4.713 5.980 ( -7.412 5.596 3.375) 9.882 6.019 ( -3.453 -0.172 -2.672) 4.369 6.164 ( -10.252 -1.042 3.680) 10.942 6.253 ( -5.466 -6.721 -2.625) 9.052 6.382 ( 0.800 5.589 7.058) 9.038 6.418 ( -2.531 -4.021 -3.201) 5.729 6.555 ( -2.426 -5.080 5.423) 7.816 6.592 ( 3.960 2.497 -1.599) 4.947 6.704 ( -9.929 -4.809 -2.181) 11.245 6.835 ( -1.051 5.246 -1.082) 5.458 6.956 ( -3.732 1.011 3.838) 5.448 6.988 ( -6.878 -14.622 -0.122) 16.160 7.170 ( -9.352 0.227 1.171) 9.428 7.188 ( -2.201 -2.745 -4.020) 5.342 7.312 ( -1.655 -7.419 -5.520) 9.394 7.365 ( -0.538 -4.625 -4.163) 6.246 7.500 ( -1.693 -3.879 -4.660) 6.295 7.531 ( -6.224 -11.444 -1.953) 13.173 7.679 ( -0.400 2.653 6.418) 6.956 7.752 ( -6.193 -0.580 2.541) 6.719 7.801 ( -4.761 -2.760 -3.538) 6.542 7.927 ( -2.886 0.640 0.767) 3.054 7.973 ( -1.596 -0.028 -4.584) 4.854 8.181 ( 2.260 8.981 3.932) 10.061 8.256 ( 2.989 -10.562 -6.108) 12.561 8.334 ( 4.323 4.834 -4.155) 7.702 8.375 ( 2.921 5.991 -7.288) 9.876 8.530 ( 0.193 4.213 5.117) 6.631 8.657 ( -0.822 -8.874 0.197) 8.914 8.826 ( 5.441 -13.038 10.845) 17.811 8.886 ( 6.720 -15.849 -1.660) 17.295 8.903 ( -0.063 -3.731 1.160) 3.908 9.025 ( 9.098 -2.473 -0.963) 9.477 9.107 ( -4.399 3.584 6.757) 8.824 9.288 ( 10.511 -5.741 -12.748) 17.492 9.515 ( -0.946 -5.484 3.443) 6.544 9.691 ( 0.216 5.032 -6.144) 7.945 10.024 ( 9.753 -2.277 -1.713) 10.161 10.161 ( 4.911 1.066 3.052) 5.880 10.292 ( -2.068 2.179 -0.615) 3.066 10.423 ( 5.030 5.033 -10.083) 12.341 10.631 ( -1.218 -1.511 -9.617) 9.811 10.803 ( -7.102 -2.475 7.953) 10.946 10.979 ( -1.295 -8.499 8.000) 11.744 11.089 ( -1.229 2.737 5.229) 6.029 11.208 ( -0.219 0.375 5.759) 5.775 11.255 ( -2.880 6.416 5.111) 8.694 11.375 ( 0.405 3.306 -0.693) 3.402 11.521 ( 2.998 8.342 -2.527) 9.217 11.645 ( 3.075 2.890 -6.057) 7.382 11.721 ( 4.627 7.308 11.821) 14.648 11.971 ( -3.595 -6.666 7.299) 10.518 12.059 ( 9.996 3.643 -6.547) 12.492 12.190 ( 2.021 -0.341 4.700) 5.128 12.443 ( -1.251 4.355 4.233) 6.201 12.510 ( -2.083 -4.540 -2.218) 5.465 12.815 ( -5.409 4.464 1.717) 7.220 12.898 ( -2.473 5.798 -3.920) 7.423 13.067 ( -3.587 -5.597 3.286) 7.416 13.193 ( 2.358 -3.703 0.485) 4.417 13.282 ( 4.804 3.314 -2.892) 6.514 13.336 ( 6.353 -2.551 0.041) 6.846 13.522 ( -2.664 6.290 -3.442) 7.649 13.583 ( 4.355 -0.076 -3.904) 5.849 13.697 ( 2.856 2.795 1.829) 4.395 13.856 ( 9.138 -5.757 -0.116) 10.801 15.498 ( -0.315 1.760 0.557) 1.873 15.540 ( 1.188 1.089 1.324) 2.086 15.665 ( 1.689 -1.653 0.850) 2.512 15.676 ( 2.111 -2.821 1.530) 3.841 16.212 ( -4.934 7.916 0.340) 9.334 16.404 ( -2.966 3.410 -5.729) 7.297 16.553 ( -8.483 7.579 -6.099) 12.907 16.661 ( -9.634 6.372 -1.076) 11.601 16.924 ( 8.802 -0.285 5.297) 10.277 17.125 ( 6.332 -8.609 -0.010) 10.687 17.384 ( 6.917 -3.991 5.591) 9.749 17.418 ( 8.970 -2.136 -4.051) 10.072 18.187 ( -7.691 11.258 -2.512) 13.863 18.339 ( -0.755 13.424 -0.805) 13.469 18.410 ( -8.509 3.841 -3.294) 9.900 18.687 ( -5.296 7.058 -11.152) 14.221 18.858 ( -4.079 -5.179 -0.850) 6.647 18.988 ( 3.123 -8.820 3.213) 9.892 19.113 ( 3.235 -10.362 -1.039) 10.905 19.266 ( 7.735 -9.730 -2.934) 12.772 19.643 ( -3.917 15.488 2.417) 16.158 19.795 ( -0.944 3.530 2.839) 4.628 19.871 ( -3.864 5.933 -4.481) 8.379 20.042 ( 5.920 9.405 -2.504) 11.392 20.452 ( -4.958 -9.815 2.798) 11.346 20.624 ( 5.646 -4.988 -0.168) 7.536 20.766 ( -0.161 -0.122 3.696) 3.701 20.975 ( 5.701 -10.219 3.380) 12.180 21.084 ( -11.756 11.783 -2.680) 16.859 21.349 ( 1.067 10.734 1.032) 10.836 21.814 ( -5.274 -10.199 10.243) 15.386 21.884 ( -4.000 -9.715 -0.899) 10.545 22.110 ( -1.741 1.583 0.513) 2.408 22.156 ( 1.112 -0.451 1.273) 1.750 22.359 ( -2.948 -1.724 1.624) 3.782 22.370 ( -2.483 -2.338 1.384) 3.680 22.676 ( -0.275 4.011 2.469) 4.718 22.759 ( 0.542 2.307 -2.945) 3.780 22.838 ( 0.087 -1.770 -0.195) 1.783 22.878 ( -0.850 -2.343 1.343) 2.831 22.978 ( -1.865 -0.229 6.679) 6.939 23.074 ( -0.122 -1.399 7.446) 7.577 23.410 ( 1.480 4.958 -4.219) 6.676 23.466 ( -0.815 4.240 -7.129) 8.334 23.731 ( -2.244 2.713 -2.701) 4.438 23.874 ( -7.612 0.067 3.736) 8.480 23.915 ( 3.889 3.096 -2.784) 5.697 24.178 ( -5.748 -4.968 0.495) 7.614 24.199 ( 3.203 1.082 -0.926) 3.506 24.319 ( -4.151 -4.218 -0.273) 5.925 24.504 ( -1.507 -1.138 0.963) 2.120 24.617 ( 2.743 -4.169 -4.122) 6.473 24.850 ( -1.959 3.987 -3.893) 5.906 24.893 ( -0.207 0.195 0.075) 0.294 25.049 ( -1.242 -4.451 0.673) 4.670 25.147 ( 0.611 -6.533 -3.934) 7.650 25.449 ( -7.253 3.654 0.629) 8.146 25.536 ( -3.710 0.889 0.910) 3.922 25.666 ( 0.578 6.889 6.503) 9.491 25.769 ( -5.001 6.110 -0.327) 7.903 25.932 ( 8.480 -1.626 3.511) 9.321 26.098 ( 6.907 -5.583 -2.989) 9.371 26.282 ( 9.835 -2.194 6.813) 12.164 26.428 ( 8.278 -7.228 -10.503) 15.201 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.178 -13.682 2.611) 14.542 1.816 ( 3.080 -21.547 -5.199) 22.378 2.144 ( 2.986 -4.664 -0.339) 5.549 2.243 ( -0.832 -11.899 1.855) 12.071 2.497 ( 2.227 6.513 -0.375) 6.894 2.633 ( -7.758 14.007 -3.322) 16.352 2.759 ( -1.365 3.641 -0.798) 3.969 2.930 ( -1.205 6.192 -6.090) 8.768 3.166 ( 2.404 2.318 6.492) 7.301 3.334 ( -0.750 1.496 8.750) 8.909 3.380 ( -0.112 -3.701 -1.050) 3.849 3.528 ( 3.012 5.917 -1.486) 6.804 3.595 ( -1.243 -2.213 5.319) 5.894 3.673 ( -2.569 -4.483 0.340) 5.178 3.774 ( -2.852 -3.911 5.603) 7.405 3.852 ( 7.354 -0.162 4.705) 8.732 3.978 ( 6.382 -3.065 10.249) 12.457 4.116 ( 5.040 6.243 1.583) 8.178 4.188 ( 2.845 -2.423 0.010) 3.737 4.243 ( 9.879 10.077 1.177) 14.160 4.354 ( 0.515 -2.699 -6.942) 7.466 4.462 ( 8.177 0.140 -3.456) 8.878 4.523 ( -0.845 5.415 1.170) 5.604 4.680 ( 3.052 -0.924 -2.684) 4.169 4.801 ( -1.866 -0.404 2.552) 3.188 4.846 ( 2.130 4.967 -1.207) 5.537 4.927 ( -10.645 3.601 -6.990) 13.234 5.063 ( 12.453 1.487 2.298) 12.750 5.129 ( 0.450 1.983 -3.409) 3.969 5.231 ( -6.036 6.853 0.950) 9.181 5.295 ( 8.784 2.620 -1.729) 9.328 5.334 ( -0.722 -2.376 -2.865) 3.791 5.507 ( 0.858 -4.121 -7.911) 8.961 5.533 ( -1.919 -3.385 8.988) 9.794 5.660 ( -5.532 5.706 -2.029) 8.202 5.681 ( 4.324 3.261 -1.221) 5.552 5.742 ( -4.348 -7.680 -2.120) 9.077 5.772 ( 0.578 -3.470 -1.450) 3.805 5.853 ( -1.283 -0.953 11.565) 11.675 5.987 ( -4.549 0.357 -3.292) 5.627 6.044 ( 0.885 2.955 1.725) 3.534 6.150 ( -3.024 -6.050 2.391) 7.174 6.309 ( -6.463 -0.542 -9.183) 11.242 6.389 ( -11.498 -2.620 5.448) 12.990 6.414 ( -2.847 -6.662 7.556) 10.468 6.453 ( -9.046 2.688 -0.165) 9.438 6.565 ( -5.574 -2.289 -4.907) 7.771 6.739 ( -7.873 2.957 8.745) 12.133 6.834 ( -1.196 -4.068 5.836) 7.213 6.871 ( -2.886 -3.526 -13.863) 14.592 7.049 ( -2.996 3.615 8.063) 9.330 7.134 ( -5.045 -2.171 -2.097) 5.879 7.214 ( -1.567 -0.779 -6.322) 6.559 7.365 ( -3.043 -0.914 0.077) 3.178 7.420 ( -3.105 -4.548 -5.749) 7.961 7.508 ( 2.037 -3.555 -10.339) 11.122 7.605 ( -6.328 -2.651 0.951) 6.927 7.612 ( -4.336 -1.619 9.251) 10.344 7.734 ( 0.958 0.504 -4.827) 4.947 7.858 ( -0.052 3.458 -2.351) 4.182 8.108 ( 7.000 2.826 1.898) 7.784 8.163 ( 0.682 -8.550 -7.258) 11.236 8.292 ( -3.400 -0.855 -3.669) 5.075 8.424 ( 5.019 3.513 0.396) 6.139 8.455 ( 3.681 2.483 0.830) 4.518 8.555 ( 3.031 2.819 5.527) 6.905 8.627 ( -4.022 -6.331 -3.300) 8.194 8.827 ( -2.440 -5.064 -0.472) 5.641 8.924 ( 0.580 -8.723 8.842) 12.434 9.020 ( 1.684 -0.147 -2.148) 2.733 9.149 ( 11.478 -0.388 -3.540) 12.018 9.239 ( 8.962 -4.591 5.188) 11.327 9.505 ( 2.706 -8.032 -0.464) 8.488 9.546 ( 8.454 -13.011 -7.609) 17.282 9.709 ( 2.622 4.796 3.555) 6.520 10.005 ( -5.648 -1.680 1.015) 5.980 10.244 ( -5.444 -2.379 -2.145) 6.316 10.403 ( 10.337 7.337 -1.363) 12.749 10.449 ( -4.696 -8.552 -6.515) 11.731 10.560 ( 2.510 1.167 -4.915) 5.641 10.725 ( 0.275 2.420 5.510) 6.024 10.996 ( -2.450 -2.383 6.663) 7.488 11.061 ( 4.377 -3.773 -7.379) 9.373 11.164 ( -5.213 -1.222 11.355) 12.554 11.242 ( -1.584 5.551 6.679) 8.827 11.426 ( 2.601 3.013 2.223) 4.560 11.454 ( -5.906 4.835 0.712) 7.666 11.639 ( -2.415 -3.402 -8.813) 9.751 11.862 ( 7.465 7.058 7.961) 12.997 12.052 ( 5.908 -4.470 4.728) 8.789 12.204 ( 7.585 -1.254 -9.397) 12.141 12.335 ( -3.558 -1.207 6.364) 7.390 12.347 ( 2.276 8.061 3.496) 9.077 12.489 ( -0.586 -1.634 -0.477) 1.800 12.739 ( -0.191 5.856 0.367) 5.871 12.878 ( -0.617 9.974 -3.706) 10.658 12.944 ( -5.022 -4.338 4.710) 8.137 13.194 ( -2.825 1.743 -3.422) 4.768 13.332 ( 1.952 2.132 1.945) 3.484 13.463 ( 0.107 -0.026 0.515) 0.526 13.521 ( 4.656 -0.550 -1.077) 4.811 13.676 ( 1.934 -3.067 -8.127) 8.899 13.798 ( 7.630 4.409 4.324) 9.816 13.985 ( 2.270 -3.198 1.500) 4.198 15.533 ( 3.278 1.568 2.891) 4.643 15.601 ( 4.210 -0.938 3.378) 5.479 15.743 ( 6.145 1.010 -1.034) 6.313 15.778 ( 6.827 -0.415 2.331) 7.226 16.095 ( -6.063 3.320 -0.635) 6.942 16.221 ( -10.334 -0.229 -6.739) 12.339 16.349 ( -10.317 5.928 -3.492) 12.400 16.483 ( -7.174 0.985 -3.518) 8.050 17.126 ( 9.092 0.912 2.790) 9.555 17.270 ( 6.897 -5.684 -0.295) 8.942 17.511 ( 5.045 4.863 1.661) 7.201 17.656 ( 9.432 4.022 0.260) 10.257 17.991 ( -8.586 1.749 0.641) 8.786 18.176 ( -7.567 0.774 2.425) 7.984 18.341 ( -1.260 11.858 -12.434) 17.228 18.471 ( -11.758 5.259 -6.551) 14.451 18.846 ( 2.879 -1.896 1.214) 3.654 19.065 ( 2.629 -5.357 -0.342) 5.978 19.229 ( 7.800 -6.191 -0.621) 9.978 19.395 ( 2.979 -5.696 0.096) 6.429 19.597 ( 0.034 10.983 1.672) 11.110 19.737 ( -3.664 3.020 -4.095) 6.270 19.801 ( -2.325 6.811 1.865) 7.435 20.166 ( 4.071 8.197 -3.827) 9.920 20.238 ( -10.070 -2.259 -4.276) 11.172 20.718 ( -11.495 2.781 -7.560) 14.037 20.784 ( 4.198 4.068 5.825) 8.253 20.930 ( 9.711 -2.661 11.777) 15.494 21.120 ( 1.913 -5.187 3.621) 6.609 21.371 ( 3.929 -0.055 1.864) 4.349 21.625 ( -12.652 -13.496 3.788) 18.883 21.773 ( -7.133 -8.389 3.010) 11.416 22.107 ( 1.097 3.010 1.786) 3.668 22.184 ( 1.338 -0.963 1.195) 2.036 22.275 ( -4.373 -0.163 0.782) 4.446 22.312 ( -3.117 -1.281 0.947) 3.500 22.684 ( 0.568 4.274 2.100) 4.796 22.752 ( -0.420 2.332 -2.029) 3.120 22.839 ( -2.659 -0.635 3.468) 4.416 22.858 ( 1.578 -1.652 -3.322) 4.032 22.963 ( -0.541 2.115 7.646) 7.951 23.092 ( 0.576 -0.457 0.317) 0.800 23.435 ( 1.236 1.339 -6.987) 7.221 23.444 ( 0.146 1.948 0.992) 2.191 23.670 ( -3.179 2.843 -2.477) 4.932 23.734 ( -5.267 0.773 3.674) 6.468 23.965 ( 1.604 -0.573 -4.948) 5.233 24.051 ( -4.567 -2.381 -1.655) 5.410 24.274 ( 0.753 1.234 1.467) 2.060 24.297 ( 4.030 -0.635 0.908) 4.180 24.472 ( -0.804 1.907 -0.270) 2.087 24.644 ( -1.607 -3.735 -1.724) 4.416 24.785 ( -1.991 3.748 -0.662) 4.295 24.860 ( -1.765 -0.585 -0.072) 1.861 25.036 ( -0.360 -4.902 -0.844) 4.987 25.128 ( -1.622 -7.070 -5.269) 8.965 25.373 ( -0.524 2.249 1.011) 2.521 25.478 ( -1.984 -2.211 -1.909) 3.531 25.675 ( -0.526 6.682 6.336) 9.224 25.713 ( -0.356 6.051 0.654) 6.097 26.105 ( 6.476 -0.946 2.922) 7.167 26.252 ( 6.474 -6.991 -4.023) 10.343 26.460 ( 5.204 -2.185 5.783) 8.081 26.547 ( 4.367 -5.160 -7.236) 9.903 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 4.142 -19.215 -0.084) 19.657 1.779 ( -5.708 -23.296 -12.725) 27.152 2.193 ( -0.975 -4.598 1.302) 4.877 2.274 ( 6.591 -8.543 -5.424) 12.077 2.521 ( -5.905 -3.895 2.160) 7.396 2.592 ( 2.107 -0.224 -4.340) 4.829 2.696 ( 1.234 9.882 4.031) 10.744 2.824 ( -3.875 4.226 -5.868) 8.205 3.253 ( 4.902 2.900 1.104) 5.801 3.315 ( -3.396 -0.402 -2.123) 4.025 3.371 ( 4.254 -1.595 6.315) 7.779 3.448 ( -3.279 -5.330 -0.939) 6.328 3.628 ( -0.318 7.414 12.145) 14.233 3.728 ( -1.097 -2.119 3.512) 4.246 3.810 ( 10.939 4.609 12.022) 16.895 3.971 ( 0.780 -0.303 12.159) 12.188 4.056 ( -11.350 6.212 -2.185) 13.122 4.101 ( -8.180 3.701 -4.406) 10.001 4.240 ( 6.839 4.658 -0.310) 8.280 4.266 ( 0.826 2.279 -2.187) 3.265 4.438 ( -0.553 7.722 7.808) 10.995 4.515 ( -0.289 0.631 -0.379) 0.791 4.596 ( -1.642 -1.735 4.905) 5.456 4.651 ( -1.155 5.945 3.431) 6.961 4.687 ( -2.886 -2.896 -3.695) 5.510 4.871 ( 7.763 4.159 -5.647) 10.461 4.921 ( 1.050 4.075 -3.577) 5.523 5.078 ( -7.796 -0.317 -9.432) 12.241 5.159 ( 0.525 1.922 0.782) 2.140 5.229 ( 0.290 5.773 -2.976) 6.501 5.331 ( 4.990 -5.907 4.214) 8.806 5.419 ( -0.305 -2.904 -3.870) 4.848 5.493 ( -5.232 -5.514 5.264) 9.246 5.527 ( 2.484 0.629 1.272) 2.861 5.616 ( 0.896 -0.697 2.777) 3.000 5.687 ( -4.191 -2.054 -1.747) 4.984 5.701 ( -0.936 1.445 -1.762) 2.463 5.745 ( -1.557 -6.759 -6.406) 9.442 5.822 ( 3.489 -7.563 6.870) 10.797 5.955 ( -0.144 -5.464 -7.462) 9.250 6.056 ( 2.566 1.081 6.585) 7.149 6.095 ( -1.126 1.705 4.705) 5.129 6.217 ( -2.897 3.160 5.476) 6.955 6.288 ( 0.448 4.495 -2.580) 5.203 6.329 ( 2.901 -5.572 -4.541) 7.751 6.405 ( -0.222 -0.288 -12.235) 12.240 6.503 ( 6.739 -4.384 2.686) 8.476 6.718 ( -4.306 -7.834 -12.452) 15.329 6.798 ( 6.336 -0.621 14.220) 15.580 6.893 ( 2.217 2.341 9.824) 10.340 7.009 ( -2.533 -1.402 -0.438) 2.929 7.049 ( -1.183 -0.758 -3.019) 3.329 7.162 ( -2.767 -1.691 -0.372) 3.264 7.307 ( -0.429 7.769 -6.824) 10.349 7.350 ( -2.079 4.724 -0.300) 5.169 7.464 ( -1.651 -0.896 -3.525) 3.995 7.574 ( 3.650 -1.906 3.384) 5.329 7.647 ( 3.704 1.100 -7.531) 8.465 7.788 ( 2.311 -6.163 -7.501) 9.980 7.833 ( -3.238 -3.333 -1.961) 5.044 8.118 ( -6.162 -0.665 2.205) 6.579 8.217 ( 2.763 6.740 -3.206) 7.958 8.259 ( 3.276 -6.137 4.896) 8.506 8.405 ( -2.924 -10.233 -5.863) 12.151 8.460 ( -2.636 5.038 3.528) 6.691 8.603 ( 5.170 3.589 -11.458) 13.072 8.695 ( 4.307 5.563 7.817) 10.517 8.840 ( 0.266 -7.092 1.226) 7.202 8.898 ( -2.398 -4.496 4.932) 7.092 9.003 ( -1.407 0.416 -4.578) 4.808 9.348 ( -1.093 -2.334 1.010) 2.768 9.357 ( 4.980 -0.778 -5.462) 7.432 9.495 ( -1.927 -15.212 6.191) 16.536 9.677 ( 3.213 -14.643 -8.647) 17.306 9.794 ( 2.410 2.271 10.432) 10.945 9.911 ( -2.925 0.838 -1.173) 3.261 10.092 ( -6.658 -3.578 5.877) 9.575 10.245 ( -2.564 -1.538 -9.284) 9.754 10.582 ( -1.386 -7.115 4.701) 8.640 10.628 ( 2.032 -4.777 -1.531) 5.412 10.740 ( -5.547 7.760 11.975) 15.310 10.955 ( 5.319 11.875 -2.368) 13.225 10.996 ( -9.368 0.160 8.397) 12.581 11.223 ( 4.747 1.385 -3.374) 5.986 11.283 ( 8.652 -4.755 -3.181) 10.373 11.380 ( 0.309 1.487 -1.844) 2.388 11.492 ( 1.663 2.643 0.928) 3.258 11.539 ( -3.585 -2.879 -5.553) 7.210 12.026 ( 1.661 1.772 7.293) 7.686 12.122 ( 2.431 -1.819 -3.434) 4.584 12.161 ( -7.484 0.934 8.667) 11.489 12.310 ( -0.362 -8.486 0.278) 8.498 12.392 ( 0.303 7.170 2.162) 7.495 12.540 ( 5.416 -0.896 -7.436) 9.242 12.737 ( -2.369 6.908 4.771) 8.723 12.844 ( -0.625 3.689 -3.139) 4.884 12.973 ( 6.030 5.972 2.853) 8.953 13.094 ( -4.218 4.629 -6.194) 8.808 13.379 ( 1.352 2.734 3.568) 4.694 13.447 ( -0.527 2.140 -3.172) 3.862 13.559 ( -2.141 -4.127 5.517) 7.214 13.663 ( -1.374 -3.049 -4.621) 5.704 13.953 ( 3.625 1.149 1.444) 4.068 13.970 ( -1.563 -0.031 0.061) 1.564 15.622 ( 3.375 1.492 5.048) 6.254 15.666 ( -0.688 -0.422 2.015) 2.170 15.863 ( -4.055 2.135 2.550) 5.244 15.917 ( 5.020 2.943 2.990) 6.542 15.937 ( -4.097 1.467 -2.798) 5.173 16.057 ( 0.255 -0.395 -9.062) 9.075 16.249 ( 3.324 0.781 1.157) 3.606 16.339 ( -3.431 -2.655 -7.223) 8.426 17.260 ( -0.140 -1.087 4.826) 4.949 17.326 ( -2.024 -3.268 -0.683) 3.904 17.600 ( 0.997 8.412 3.982) 9.360 17.683 ( -0.554 12.597 -4.915) 13.533 17.973 ( 3.038 -3.268 6.130) 7.582 18.108 ( 0.987 -2.535 -2.415) 3.638 18.222 ( -8.741 6.842 -4.300) 11.904 18.359 ( 6.751 5.692 -13.117) 15.812 18.947 ( 4.879 0.022 4.302) 6.504 19.051 ( -3.615 -0.405 -6.445) 7.401 19.378 ( -3.404 -0.517 1.337) 3.694 19.414 ( 8.306 -1.937 -1.553) 8.669 19.600 ( -3.598 3.988 3.716) 6.532 19.692 ( 1.719 3.043 -5.485) 6.504 19.811 ( 4.407 1.497 3.410) 5.770 19.955 ( -8.945 -7.008 -9.414) 14.757 20.331 ( 2.557 18.522 6.249) 19.715 20.432 ( -6.224 13.537 -4.727) 15.631 20.941 ( 4.622 -0.830 7.680) 9.002 21.053 ( -3.974 -1.339 -1.688) 4.521 21.205 ( 11.864 -10.198 13.475) 20.648 21.340 ( -12.742 -11.426 0.371) 17.118 21.564 ( 7.088 -8.914 4.714) 12.325 21.599 ( -5.491 -6.439 0.397) 8.472 22.143 ( 0.427 1.321 3.627) 3.884 22.175 ( -2.136 0.827 1.320) 2.644 22.230 ( -0.059 0.231 1.584) 1.602 22.280 ( 1.577 -0.913 -2.522) 3.111 22.695 ( -0.225 2.884 2.296) 3.693 22.742 ( -0.006 3.031 -1.624) 3.439 22.797 ( -1.643 -0.178 3.812) 4.154 22.881 ( 1.397 -2.729 -4.519) 5.461 22.986 ( 1.151 5.268 6.928) 8.779 23.098 ( 0.864 1.571 -4.349) 4.704 23.393 ( -5.062 -1.062 4.410) 6.797 23.455 ( -0.222 -2.415 -1.142) 2.681 23.621 ( -1.035 3.585 3.120) 4.864 23.702 ( 2.746 0.625 -4.399) 5.223 23.987 ( -0.225 -0.948 -4.202) 4.314 24.000 ( 2.531 -0.036 -5.064) 5.661 24.321 ( 1.619 0.657 0.801) 1.922 24.339 ( 0.364 0.008 -0.387) 0.532 24.515 ( 4.814 2.790 0.881) 5.634 24.533 ( -6.065 2.284 -0.846) 6.536 24.780 ( -2.128 -1.132 2.745) 3.653 24.850 ( 2.932 -1.951 -3.091) 4.686 25.024 ( -0.623 -5.422 0.214) 5.462 25.091 ( -0.500 -6.282 -5.471) 8.346 25.390 ( 1.168 0.424 2.056) 2.403 25.436 ( -1.547 -1.663 -2.707) 3.534 25.671 ( -0.810 6.616 5.130) 8.411 25.729 ( 1.351 5.398 -0.166) 5.567 26.194 ( 0.851 -2.636 4.273) 5.092 26.300 ( -1.388 -6.615 -5.420) 8.664 26.508 ( -1.653 -0.502 4.145) 4.490 26.607 ( 2.686 -4.874 -5.332) 7.707 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -5.654 -9.453 -2.138) 11.221 1.755 ( 4.772 -16.180 1.648) 16.950 2.119 ( -7.306 3.638 1.034) 8.227 2.325 ( -2.671 -9.165 -5.016) 10.783 2.439 ( 3.093 -5.558 0.812) 6.413 2.634 ( 7.442 -0.380 -1.859) 7.680 2.765 ( -0.247 8.321 -1.271) 8.421 2.892 ( 8.512 3.674 -2.710) 9.659 3.192 ( -11.659 -0.465 12.530) 17.122 3.291 ( -3.567 0.450 -0.262) 3.604 3.406 ( 4.582 -2.926 -1.392) 5.612 3.541 ( -3.270 -6.697 2.656) 7.912 3.629 ( -5.479 4.060 9.002) 11.294 3.671 ( -1.103 6.127 2.852) 6.848 3.778 ( -11.764 1.526 3.116) 12.265 3.816 ( -3.567 0.638 -3.209) 4.840 4.019 ( 3.463 7.649 9.048) 12.344 4.101 ( 8.125 1.419 10.638) 13.461 4.151 ( -7.582 -0.462 -2.657) 8.048 4.299 ( -3.350 6.551 -8.333) 11.117 4.348 ( -5.712 3.797 -2.298) 7.233 4.466 ( -4.020 -1.464 0.103) 4.279 4.508 ( -3.623 -4.276 1.332) 5.761 4.606 ( -3.742 6.732 0.930) 7.758 4.749 ( 3.378 4.061 -0.132) 5.284 4.905 ( -2.479 -0.232 -2.685) 3.662 4.924 ( 1.233 -1.011 -2.085) 2.625 5.053 ( 3.786 1.896 3.286) 5.360 5.153 ( -9.238 6.258 -0.911) 11.196 5.198 ( -0.478 -5.304 2.566) 5.911 5.291 ( -7.573 3.097 2.274) 8.492 5.327 ( 1.667 4.702 -2.388) 5.530 5.422 ( 0.889 2.005 -7.580) 7.891 5.596 ( -3.862 -3.644 -1.843) 5.620 5.624 ( 11.615 0.198 3.934) 12.265 5.666 ( 0.561 -7.828 -1.582) 8.006 5.713 ( 1.468 -7.164 -0.335) 7.321 5.818 ( 4.567 3.335 -1.709) 5.908 5.895 ( 2.990 -6.293 -0.859) 7.020 5.999 ( 3.678 0.573 1.402) 3.978 6.100 ( 1.445 1.250 -0.270) 1.930 6.164 ( 0.619 -6.135 4.409) 7.580 6.259 ( 4.712 0.611 1.355) 4.941 6.317 ( 7.028 3.819 -1.350) 8.112 6.458 ( 5.134 -0.450 1.267) 5.307 6.511 ( 10.409 -2.659 -3.438) 11.280 6.632 ( -0.072 -5.459 -11.931) 13.121 6.748 ( 11.522 -0.200 -2.372) 11.766 6.900 ( -3.089 -3.583 3.796) 6.065 6.912 ( 5.782 -8.063 2.347) 10.196 7.020 ( 6.452 -2.568 4.102) 8.066 7.117 ( 1.309 3.674 5.386) 6.649 7.179 ( 4.449 -5.775 3.074) 7.912 7.264 ( -0.443 0.775 -6.081) 6.146 7.402 ( 6.201 3.519 -12.961) 14.793 7.481 ( 3.431 2.841 3.843) 5.883 7.635 ( -2.237 3.082 -0.618) 3.858 7.717 ( 2.896 -0.478 -4.441) 5.323 7.773 ( 6.287 0.425 -3.619) 7.267 7.834 ( 2.815 -1.491 -0.778) 3.279 8.015 ( -2.385 -7.824 5.409) 9.806 8.179 ( -7.590 -16.926 -7.424) 19.981 8.255 ( 1.203 7.349 0.762) 7.486 8.390 ( -1.839 -0.298 0.037) 1.863 8.522 ( 2.263 0.281 3.477) 4.159 8.617 ( -1.265 6.680 -5.263) 8.598 8.711 ( -6.261 0.593 -3.906) 7.403 8.728 ( -3.606 3.759 1.230) 5.352 8.952 ( 4.627 1.164 2.221) 5.263 8.987 ( -2.547 -10.318 0.595) 10.644 9.233 ( -7.030 -1.636 0.477) 7.233 9.301 ( -4.889 -9.562 -7.626) 13.172 9.428 ( -4.582 -8.902 -7.505) 12.513 9.643 ( -3.278 -12.729 -3.679) 13.649 9.750 ( -6.795 5.427 2.696) 9.104 9.955 ( 5.726 -1.885 8.846) 10.705 10.061 ( -0.141 0.548 10.132) 10.148 10.304 ( 5.074 -4.417 0.560) 6.751 10.419 ( -13.297 4.805 3.395) 14.541 10.474 ( -11.060 1.853 4.393) 12.044 10.739 ( 5.388 -1.968 1.125) 5.845 10.916 ( 1.704 -6.294 3.101) 7.220 11.116 ( 5.638 5.342 1.788) 7.970 11.282 ( 0.525 -0.934 1.945) 2.221 11.364 ( -2.978 -1.612 4.318) 5.487 11.387 ( -0.893 9.121 -7.167) 11.634 11.517 ( 1.911 -0.147 1.463) 2.411 11.586 ( 7.030 1.147 -10.570) 12.746 11.954 ( -3.158 2.256 0.178) 3.885 11.998 ( -8.338 5.282 7.324) 12.291 12.192 ( -1.338 -7.296 -4.785) 8.827 12.258 ( -2.717 -2.786 8.516) 9.363 12.388 ( -0.735 2.849 1.230) 3.189 12.597 ( 0.241 2.088 -6.215) 6.560 12.719 ( 1.888 6.048 1.172) 6.444 12.862 ( 1.375 4.608 -1.848) 5.151 13.038 ( 2.883 -0.777 -3.961) 4.961 13.124 ( 4.887 3.789 1.349) 6.330 13.351 ( -3.443 3.286 -0.766) 4.821 13.470 ( -0.254 -3.017 4.178) 5.160 13.484 ( -2.526 0.006 2.197) 3.348 13.569 ( -7.639 -3.117 -1.473) 8.381 13.883 ( -4.070 2.328 -3.185) 5.668 13.996 ( -2.107 -1.938 0.522) 2.910 15.587 ( -4.664 1.929 -1.901) 5.393 15.648 ( -4.483 -1.023 -1.070) 4.721 15.679 ( -4.439 2.686 4.478) 6.853 15.795 ( -6.566 -2.486 1.541) 7.188 16.079 ( 7.199 4.409 0.627) 8.465 16.204 ( 8.206 -0.030 -3.795) 9.041 16.309 ( 6.249 4.171 -1.128) 7.597 16.460 ( 10.107 -1.113 -1.562) 10.288 17.142 ( -7.932 -0.570 2.446) 8.320 17.227 ( -6.961 -3.602 2.253) 8.155 17.479 ( -8.960 7.910 2.604) 12.232 17.741 ( -4.266 3.264 -6.277) 8.261 17.977 ( 4.432 -3.749 3.119) 6.590 18.146 ( 4.596 8.701 2.715) 10.208 18.292 ( 10.823 1.288 -5.485) 12.202 18.518 ( 8.001 9.984 -10.401) 16.488 18.915 ( -4.933 -3.209 -5.240) 7.880 19.044 ( 1.897 -0.298 1.376) 2.363 19.263 ( -6.390 -3.674 -4.489) 8.630 19.432 ( -7.432 -3.929 -2.077) 8.659 19.610 ( 6.192 7.138 1.749) 9.610 19.690 ( -0.573 7.280 -4.096) 8.372 19.890 ( 2.823 -1.071 -4.859) 5.720 20.000 ( 8.755 -1.172 9.579) 13.030 20.188 ( -5.109 8.646 1.761) 10.196 20.582 ( 8.718 12.514 6.466) 16.565 20.853 ( -7.675 -2.675 1.639) 8.292 21.044 ( -4.835 -0.467 -0.053) 4.858 21.138 ( -3.221 -5.658 0.916) 6.575 21.401 ( -2.746 -3.587 0.293) 4.527 21.509 ( 9.583 -7.442 12.416) 17.360 21.800 ( 8.716 -10.284 1.281) 13.541 22.110 ( -1.754 1.673 0.840) 2.566 22.158 ( -0.775 -0.667 3.820) 3.954 22.278 ( 3.750 0.932 0.822) 3.951 22.339 ( 3.354 -2.102 -1.197) 4.136 22.685 ( -0.756 1.840 2.592) 3.267 22.742 ( -0.033 3.656 -1.401) 3.915 22.784 ( -0.225 -0.805 3.195) 3.302 22.901 ( 0.849 -3.643 -2.886) 4.724 23.019 ( 0.826 5.419 4.351) 6.999 23.134 ( 3.170 1.520 -4.276) 5.536 23.276 ( -5.610 1.652 6.263) 8.569 23.433 ( -1.160 -1.512 1.367) 2.345 23.641 ( 2.442 4.129 0.549) 4.828 23.791 ( 4.796 -2.686 -1.138) 5.613 23.993 ( 1.737 1.850 -7.164) 7.600 24.086 ( 5.900 -0.602 -4.229) 7.284 24.293 ( -3.544 0.034 0.356) 3.562 24.326 ( -2.054 -1.270 -2.839) 3.727 24.481 ( 2.293 1.834 -1.033) 3.113 24.619 ( 2.058 -3.306 0.776) 3.971 24.749 ( 1.196 3.194 1.732) 3.825 24.911 ( 2.110 -0.152 -4.622) 5.083 25.024 ( 0.864 -6.421 2.658) 7.002 25.086 ( 0.512 -6.168 -3.159) 6.949 25.398 ( 0.006 0.403 -0.626) 0.744 25.440 ( 2.328 -0.592 1.036) 2.616 25.667 ( -0.073 7.168 4.456) 8.440 25.760 ( 1.773 5.386 -1.124) 5.780 26.144 ( -6.120 -3.744 2.661) 7.652 26.203 ( -6.235 -3.894 -2.981) 7.932 26.419 ( -7.089 0.516 4.651) 8.494 26.608 ( -2.365 -8.170 -7.869) 11.587 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 5.971 7.749 6.664) 11.837 1.937 ( 7.379 7.733 14.186) 17.763 1.988 ( 0.432 -10.844 -7.785) 13.356 2.307 ( 0.901 7.147 1.901) 7.450 2.473 ( -3.183 -6.972 -1.808) 7.874 2.686 ( -5.826 1.860 12.483) 13.900 2.871 ( -1.169 -2.481 1.918) 3.347 2.884 ( 4.584 1.616 -0.548) 4.891 3.058 ( -0.140 0.226 12.374) 12.377 3.146 ( -15.239 1.101 -2.987) 15.568 3.316 ( -0.750 -3.314 0.237) 3.406 3.396 ( -4.628 3.112 5.808) 8.052 3.526 ( -4.104 2.865 4.213) 6.542 3.629 ( -7.134 6.469 -5.890) 11.289 3.741 ( 3.853 2.880 -2.577) 5.457 3.757 ( -3.204 1.305 4.339) 5.550 3.972 ( -12.360 4.960 -3.030) 13.658 4.034 ( -3.350 -8.828 -2.440) 9.752 4.212 ( 4.310 -1.663 1.460) 4.845 4.273 ( 10.529 0.728 2.954) 10.960 4.362 ( -0.783 -2.604 -7.494) 7.972 4.385 ( -0.747 -6.827 -12.507) 14.269 4.474 ( -7.313 2.947 -4.712) 9.185 4.516 ( 3.266 6.166 6.955) 9.852 4.742 ( -5.962 7.008 6.128) 11.055 4.837 ( -2.249 6.614 -6.921) 9.834 4.947 ( -0.540 2.047 -0.692) 2.227 5.025 ( -6.109 3.620 -0.121) 7.102 5.093 ( 3.995 -3.833 4.924) 7.410 5.153 ( 1.560 0.512 1.808) 2.442 5.226 ( -0.683 2.823 -2.909) 4.111 5.362 ( 3.982 -0.726 7.454) 8.482 5.468 ( -3.166 1.297 -6.307) 7.175 5.623 ( 4.393 -0.757 -6.174) 7.615 5.670 ( -0.660 -7.190 1.375) 7.350 5.745 ( -2.319 2.010 -5.857) 6.613 5.766 ( 5.466 3.665 -2.003) 6.879 5.908 ( 8.644 -5.771 3.262) 10.893 5.962 ( -1.151 0.125 2.424) 2.687 6.045 ( 1.269 1.461 -5.218) 5.565 6.131 ( 4.708 1.681 2.021) 5.392 6.240 ( 7.221 1.823 6.161) 9.665 6.336 ( -1.816 -2.653 -2.466) 4.052 6.473 ( 8.587 -2.654 2.890) 9.440 6.562 ( 3.240 -5.525 5.723) 8.589 6.633 ( 0.334 -2.139 -0.236) 2.178 6.659 ( 2.344 -0.406 -3.531) 4.258 6.789 ( -1.887 0.926 3.650) 4.212 6.966 ( 6.100 -5.223 -5.179) 9.555 7.056 ( -0.427 -2.908 9.803) 10.234 7.144 ( -1.291 -10.959 4.084) 11.767 7.226 ( 6.963 -6.232 -3.900) 10.126 7.267 ( 3.899 -2.662 -12.107) 12.995 7.280 ( 14.071 0.176 2.997) 14.388 7.499 ( 1.906 -3.767 -10.092) 10.940 7.607 ( 3.253 4.395 -2.454) 5.993 7.640 ( 7.289 -4.421 -2.291) 8.828 7.806 ( 3.932 4.717 3.550) 7.093 7.818 ( -3.029 -11.791 7.675) 14.391 7.939 ( 5.695 0.332 -5.582) 7.981 8.034 ( 5.227 -2.330 -9.534) 11.120 8.110 ( 0.050 -2.537 5.470) 6.030 8.252 ( -7.546 -1.315 -2.424) 8.035 8.317 ( 4.011 6.409 -5.660) 9.445 8.456 ( -7.154 11.128 -11.740) 17.687 8.536 ( -3.818 0.800 10.364) 11.074 8.584 ( -1.292 0.540 5.770) 5.938 8.700 ( -2.937 -7.323 5.144) 9.419 8.869 ( -5.143 -12.613 2.150) 13.790 8.939 ( -6.885 -3.797 -0.928) 7.917 9.068 ( -9.059 -6.104 3.309) 11.414 9.256 ( -2.349 -17.896 -17.918) 25.433 9.403 ( 6.961 1.212 -14.520) 16.147 9.588 ( -6.838 5.702 2.803) 9.335 9.623 ( 1.103 -4.006 -3.707) 5.568 9.944 ( -12.517 -6.831 4.362) 14.912 10.058 ( 0.505 8.899 15.333) 17.736 10.177 ( -4.407 7.265 5.225) 9.975 10.376 ( 5.085 0.533 0.523) 5.139 10.476 ( 6.034 -3.697 3.733) 8.001 10.855 ( 3.736 -0.156 -0.599) 3.787 11.031 ( 6.559 -3.741 3.137) 8.177 11.184 ( -5.616 1.798 1.694) 6.135 11.223 ( -2.841 7.066 5.030) 9.127 11.279 ( -0.097 -2.481 2.476) 3.507 11.300 ( -4.703 -1.020 4.272) 6.435 11.562 ( -2.758 5.700 -8.059) 10.249 11.621 ( 2.296 6.970 -3.265) 8.032 11.796 ( -11.146 7.200 4.250) 13.933 11.974 ( 1.004 7.474 -0.703) 7.574 12.136 ( 0.103 -6.736 -4.181) 7.928 12.218 ( -3.143 -7.264 2.334) 8.251 12.394 ( 0.200 -1.488 6.004) 6.189 12.562 ( -0.573 2.591 -4.268) 5.026 12.804 ( 5.040 4.228 2.171) 6.927 12.888 ( 2.791 6.888 -3.288) 8.127 13.088 ( -3.133 0.002 -0.457) 3.166 13.222 ( 5.427 -3.896 -2.484) 7.127 13.259 ( -4.822 -2.738 0.089) 5.545 13.345 ( -8.054 -0.769 -1.555) 8.239 13.423 ( -1.262 1.167 7.353) 7.552 13.542 ( 3.331 -1.227 -2.038) 4.093 13.779 ( -4.810 2.559 -3.982) 6.749 13.869 ( -9.389 -2.497 -1.513) 9.833 15.510 ( -1.511 3.320 -0.792) 3.732 15.555 ( -1.894 0.256 -0.012) 1.911 15.662 ( -0.433 -1.333 1.052) 1.752 15.692 ( -3.076 -2.785 0.280) 4.159 16.207 ( 4.911 6.111 2.364) 8.188 16.354 ( 4.822 0.674 -1.436) 5.076 16.467 ( 8.087 10.482 1.613) 13.337 16.671 ( 10.014 3.515 -2.052) 10.809 16.989 ( -6.583 -2.789 -0.933) 7.210 17.092 ( -6.472 -5.756 2.729) 9.082 17.292 ( -7.700 2.463 4.963) 9.487 17.536 ( -9.637 -5.903 -6.475) 13.025 18.141 ( 6.808 5.990 0.849) 9.107 18.291 ( 6.882 13.615 2.189) 15.412 18.507 ( 9.616 -2.235 -6.101) 11.606 18.587 ( 0.383 14.210 -4.173) 14.814 18.885 ( 2.685 -8.491 -3.646) 9.623 19.048 ( -1.078 -3.784 -1.434) 4.187 19.145 ( -2.750 -5.393 -5.890) 8.447 19.252 ( -8.566 -6.068 -1.686) 10.633 19.694 ( 1.142 11.057 1.554) 11.224 19.741 ( 5.585 8.357 -2.736) 10.418 19.958 ( 3.142 2.063 -5.737) 6.859 19.971 ( -6.314 8.040 3.544) 10.820 20.336 ( 10.099 -6.039 10.611) 15.845 20.582 ( -6.491 -13.788 3.727) 15.689 20.823 ( -1.515 7.185 2.385) 7.721 21.002 ( 5.493 12.827 1.609) 14.046 21.047 ( -4.206 -7.697 0.045) 8.771 21.394 ( 0.484 8.058 -3.286) 8.716 21.722 ( 6.635 -10.260 14.433) 18.910 21.919 ( 2.615 -7.258 -0.269) 7.719 22.096 ( 0.431 1.802 0.561) 1.936 22.166 ( 0.630 -2.683 1.954) 3.379 22.351 ( 2.466 -0.686 1.895) 3.185 22.395 ( 1.794 -2.878 -0.431) 3.419 22.682 ( -0.140 2.292 3.113) 3.869 22.735 ( -0.182 3.148 -1.390) 3.446 22.803 ( 1.590 -1.959 1.807) 3.104 22.895 ( -1.051 -4.697 -0.842) 4.887 23.042 ( 0.370 3.557 5.198) 6.310 23.125 ( -4.063 -0.834 3.795) 5.623 23.279 ( 5.004 5.748 -0.126) 7.622 23.434 ( 1.205 0.608 -1.595) 2.090 23.716 ( 4.408 5.811 -0.551) 7.315 23.849 ( -0.253 -0.703 1.200) 1.414 24.026 ( 3.013 2.895 -7.973) 9.002 24.168 ( -6.678 0.916 1.599) 6.927 24.224 ( 7.307 -3.969 -2.757) 8.761 24.339 ( 2.508 -5.352 -2.459) 6.402 24.541 ( 1.153 -2.132 -0.838) 2.564 24.598 ( -0.667 -4.389 -4.325) 6.198 24.798 ( 0.930 3.983 0.768) 4.162 24.930 ( 0.347 -0.462 -3.209) 3.261 25.074 ( 3.505 -5.806 0.351) 6.791 25.082 ( -0.808 -5.601 0.618) 5.692 25.450 ( 5.109 2.905 1.019) 5.964 25.519 ( 5.193 0.784 0.898) 5.328 25.692 ( 0.635 7.462 5.653) 9.383 25.804 ( 2.435 7.290 -4.787) 9.055 25.995 ( -6.500 -4.941 2.765) 8.620 26.045 ( -6.959 -2.836 -2.756) 8.004 26.241 ( -10.329 -0.455 7.108) 12.547 26.467 ( -8.653 -9.255 -10.505) 16.459 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -9.808 -5.859 9.160) 14.643 1.792 ( -9.808 5.859 9.160) 14.643 2.252 ( 1.041 -7.178 1.329) 7.374 2.252 ( 1.041 7.178 1.329) 7.374 2.596 ( 3.957 -8.924 11.946) 15.428 2.596 ( 3.957 8.924 11.946) 15.428 2.786 ( 6.121 -0.366 -0.029) 6.132 2.786 ( 6.121 0.366 -0.029) 6.132 3.167 ( -1.073 -7.475 8.898) 11.670 3.167 ( -1.073 7.475 8.898) 11.670 3.378 ( -1.671 -13.425 1.821) 13.651 3.378 ( -1.671 13.425 1.821) 13.651 3.586 ( 6.674 -10.404 -0.984) 12.400 3.586 ( 6.674 10.404 -0.984) 12.400 3.763 ( -3.192 -6.762 -15.965) 17.629 3.763 ( -3.192 6.762 -15.965) 17.629 3.924 ( -2.541 -19.993 -4.597) 20.671 3.924 ( -2.541 19.993 -4.597) 20.671 3.972 ( -3.820 -10.057 -3.985) 11.472 3.972 ( -3.820 10.057 -3.985) 11.472 4.426 ( 2.518 -1.974 1.212) 3.421 4.426 ( 2.518 1.974 1.212) 3.421 4.562 ( -2.334 -6.000 -3.085) 7.140 4.562 ( -2.334 6.000 -3.085) 7.140 4.866 ( 1.823 -8.185 5.515) 10.037 4.866 ( 1.823 8.185 5.515) 10.037 5.043 ( -2.291 -3.310 -1.689) 4.366 5.043 ( -2.291 3.310 -1.689) 4.366 5.080 ( 3.499 -4.543 -0.345) 5.745 5.080 ( 3.499 4.543 -0.345) 5.745 5.368 ( 1.840 -4.154 -0.957) 4.643 5.368 ( 1.840 4.154 -0.957) 4.643 5.490 ( -1.354 -8.469 -2.369) 8.898 5.490 ( -1.354 8.469 -2.369) 8.898 5.718 ( -1.780 -9.873 3.773) 10.718 5.718 ( -1.780 9.873 3.773) 10.718 5.861 ( 2.598 -8.608 -4.602) 10.100 5.861 ( 2.598 8.608 -4.602) 10.100 5.971 ( -3.055 -0.968 4.370) 5.420 5.971 ( -3.055 0.968 4.370) 5.420 6.361 ( -4.602 -0.666 5.030) 6.850 6.361 ( -4.602 0.666 5.030) 6.850 6.391 ( 2.023 -5.705 5.481) 8.166 6.391 ( 2.023 5.705 5.481) 8.166 6.560 ( 4.558 -10.413 5.430) 12.597 6.560 ( 4.558 10.413 5.430) 12.597 6.754 ( -1.851 -8.422 -4.014) 9.511 6.754 ( -1.851 8.422 -4.014) 9.511 6.976 ( 4.157 -8.447 -3.634) 10.091 6.976 ( 4.157 8.447 -3.634) 10.091 7.130 ( -1.303 -10.001 -0.977) 10.133 7.130 ( -1.303 10.001 -0.977) 10.133 7.367 ( 3.296 -1.503 -3.504) 5.040 7.367 ( 3.296 1.503 -3.504) 5.040 7.446 ( -6.283 -2.630 -2.810) 7.369 7.446 ( -6.283 2.630 -2.810) 7.369 7.757 ( 2.466 -4.294 0.083) 4.952 7.757 ( 2.466 4.294 0.083) 4.952 7.904 ( -3.452 -2.954 -2.311) 5.098 7.904 ( -3.452 2.954 -2.311) 5.098 8.124 ( 1.274 -1.773 -3.926) 4.492 8.124 ( 1.274 1.773 -3.926) 4.492 8.341 ( 0.974 -11.052 6.523) 12.870 8.341 ( 0.974 11.052 6.523) 12.870 8.496 ( 1.610 -3.570 0.032) 3.916 8.496 ( 1.610 3.570 0.032) 3.916 8.549 ( -3.510 -7.897 0.103) 8.643 8.549 ( -3.510 7.897 0.103) 8.643 8.760 ( -2.732 -4.980 5.191) 7.695 8.760 ( -2.732 4.980 5.191) 7.695 8.901 ( 5.009 -9.354 -12.909) 16.710 8.901 ( 5.009 9.354 -12.909) 16.710 9.506 ( -11.401 -6.536 5.004) 14.062 9.506 ( -11.401 6.536 5.004) 14.062 9.689 ( 10.865 -4.585 -12.158) 16.937 9.689 ( 10.865 4.585 -12.158) 16.937 10.267 ( -3.333 -9.726 11.293) 15.272 10.267 ( -3.333 9.726 11.293) 15.272 10.458 ( 8.286 -8.902 -7.998) 14.555 10.458 ( 8.286 8.902 -7.998) 14.555 11.016 ( -6.953 -4.531 7.542) 11.215 11.016 ( -6.953 4.531 7.542) 11.215 11.130 ( -0.779 -4.398 1.881) 4.846 11.130 ( -0.779 4.398 1.881) 4.846 11.342 ( 7.130 -1.485 -3.328) 8.007 11.342 ( 7.130 1.485 -3.328) 8.007 11.582 ( -3.960 -1.883 1.228) 4.554 11.582 ( -3.960 1.883 1.228) 4.554 11.882 ( -1.932 -5.024 7.473) 9.209 11.882 ( -1.932 5.024 7.473) 9.209 12.102 ( -0.319 -3.396 2.383) 4.161 12.102 ( -0.319 3.396 2.383) 4.161 12.460 ( -1.087 -5.470 0.637) 5.613 12.460 ( -1.087 5.470 0.637) 5.613 12.917 ( 1.316 -3.657 -1.257) 4.084 12.917 ( 1.316 3.657 -1.257) 4.084 13.161 ( -6.404 -6.126 0.693) 8.889 13.161 ( -6.404 6.126 0.693) 8.889 13.218 ( 5.755 -6.121 -3.783) 9.215 13.218 ( 5.755 6.121 -3.783) 9.215 13.570 ( 5.847 -1.918 4.143) 7.419 13.570 ( 5.847 1.918 4.143) 7.419 13.683 ( -4.732 -1.265 -6.344) 8.015 13.683 ( -4.732 1.265 -6.344) 8.015 15.542 ( -0.354 -0.243 0.270) 0.507 15.542 ( -0.354 0.243 0.270) 0.507 15.626 ( -0.355 -0.654 0.123) 0.754 15.626 ( -0.355 0.654 0.123) 0.754 16.436 ( 1.745 -4.258 1.382) 4.805 16.436 ( 1.745 4.258 1.382) 4.805 16.750 ( 0.898 -3.920 0.273) 4.031 16.750 ( 0.898 3.920 0.273) 4.031 16.949 ( 0.351 -3.573 -0.802) 3.679 16.949 ( 0.351 3.573 -0.802) 3.679 17.214 ( -1.669 -6.368 -1.242) 6.699 17.214 ( -1.669 6.368 -1.242) 6.699 18.495 ( 6.640 -12.474 5.475) 15.154 18.495 ( 6.640 12.474 5.475) 15.154 18.620 ( -5.854 -6.763 -4.768) 10.136 18.620 ( -5.854 6.763 -4.768) 10.136 18.899 ( 1.927 -5.558 -4.281) 7.275 18.899 ( 1.927 5.558 -4.281) 7.275 18.999 ( -2.528 -3.169 -7.997) 8.966 18.999 ( -2.528 3.169 -7.997) 8.966 19.924 ( 2.402 -5.595 0.441) 6.105 19.924 ( 2.402 5.595 0.441) 6.105 19.952 ( -3.170 -3.872 -0.214) 5.009 19.952 ( -3.170 3.872 -0.214) 5.009 20.432 ( 4.174 -1.968 6.970) 8.359 20.432 ( 4.174 1.968 6.970) 8.359 20.776 ( -3.342 -2.213 -1.935) 4.451 20.776 ( -3.342 2.213 -1.935) 4.451 21.482 ( 0.976 -9.301 6.907) 11.626 21.482 ( 0.976 9.301 6.907) 11.626 21.733 ( -0.897 -8.754 1.150) 8.874 21.733 ( -0.897 8.754 1.150) 8.874 22.135 ( 0.301 -0.530 0.363) 0.710 22.135 ( 0.301 0.530 0.363) 0.710 22.374 ( -0.276 -0.570 -0.086) 0.639 22.374 ( -0.276 0.570 -0.086) 0.639 22.760 ( 0.195 -4.606 2.094) 5.063 22.760 ( 0.195 4.606 2.094) 5.063 22.798 ( 0.720 -3.204 -1.657) 3.678 22.798 ( 0.720 3.204 -1.657) 3.678 23.055 ( -2.954 -1.814 8.471) 9.153 23.055 ( -2.954 1.814 8.471) 9.153 23.456 ( 3.079 -2.692 -3.602) 5.450 23.456 ( 3.079 2.692 -3.602) 5.450 23.861 ( -0.144 -1.774 -0.299) 1.805 23.861 ( -0.144 1.774 -0.299) 1.805 24.078 ( -1.590 -3.829 -2.817) 5.013 24.078 ( -1.590 3.829 -2.817) 5.013 24.255 ( 0.159 -1.245 0.293) 1.289 24.255 ( 0.159 1.245 0.293) 1.289 24.531 ( 0.242 -2.293 -3.703) 4.362 24.531 ( 0.242 2.293 -3.703) 4.362 24.891 ( 0.647 -2.566 0.194) 2.653 24.891 ( 0.647 2.566 0.194) 2.653 25.035 ( 0.650 -2.771 -2.261) 3.635 25.035 ( 0.650 2.771 -2.261) 3.635 25.665 ( 4.382 -2.662 2.998) 5.939 25.665 ( 4.382 2.662 2.998) 5.939 25.730 ( -6.456 -4.370 2.800) 8.283 25.730 ( -6.456 4.370 2.800) 8.283 25.947 ( -0.154 -2.441 1.502) 2.870 25.947 ( -0.154 2.441 1.502) 2.870 26.162 ( 1.201 -7.100 -6.331) 9.588 26.162 ( 1.201 7.100 -6.331) 9.588 ======================= Grid point 111 (60/64) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -10.048 -9.014 10.676) 17.210 1.555 ( -10.048 9.014 10.676) 17.210 2.182 ( -5.528 -6.387 2.640) 8.850 2.182 ( -5.528 6.387 2.640) 8.850 2.700 ( 0.925 -5.874 0.343) 5.956 2.700 ( 0.925 5.874 0.343) 5.956 3.006 ( 10.589 -8.908 -7.283) 15.637 3.006 ( 10.589 8.908 -7.283) 15.637 3.104 ( -4.558 -13.796 10.093) 17.691 3.104 ( -4.558 13.796 10.093) 17.691 3.413 ( 4.894 -8.924 5.954) 11.792 3.413 ( 4.894 8.924 5.954) 11.792 3.622 ( 1.110 -6.760 -15.548) 16.990 3.622 ( 1.110 6.760 -15.548) 16.990 3.775 ( -4.079 -8.060 2.887) 9.484 3.775 ( -4.079 8.060 2.887) 9.484 3.866 ( 4.794 -5.965 5.982) 9.713 3.866 ( 4.794 5.965 5.982) 9.713 4.088 ( 13.395 -4.652 -3.193) 14.535 4.088 ( 13.395 4.652 -3.193) 14.535 4.361 ( -5.228 -4.301 -0.413) 6.783 4.361 ( -5.228 4.301 -0.413) 6.783 4.626 ( 4.823 -10.001 -1.102) 11.158 4.626 ( 4.823 10.001 -1.102) 11.158 4.857 ( -2.413 -4.700 0.567) 5.314 4.857 ( -2.413 4.700 0.567) 5.314 5.050 ( 1.880 -7.203 -1.873) 7.676 5.050 ( 1.880 7.203 -1.873) 7.676 5.154 ( 4.100 -7.413 -2.124) 8.733 5.154 ( 4.100 7.413 -2.124) 8.733 5.335 ( -2.557 -12.053 -2.576) 12.588 5.335 ( -2.557 12.053 -2.576) 12.588 5.487 ( -0.554 -3.735 -0.139) 3.779 5.487 ( -0.554 3.735 -0.139) 3.779 5.657 ( -1.491 -4.781 3.408) 6.058 5.657 ( -1.491 4.781 3.408) 6.058 5.854 ( -3.837 -9.079 0.144) 9.858 5.854 ( -3.837 9.079 0.144) 9.858 5.994 ( 1.578 -2.849 -1.603) 3.630 5.994 ( 1.578 2.849 -1.603) 3.630 6.154 ( -7.235 -2.091 4.387) 8.715 6.154 ( -7.235 2.091 4.387) 8.715 6.394 ( -8.569 -2.718 7.912) 11.976 6.394 ( -8.569 2.718 7.912) 11.976 6.589 ( -1.445 -4.597 -7.314) 8.759 6.589 ( -1.445 4.597 -7.314) 8.759 6.705 ( -1.688 -11.364 3.919) 12.139 6.705 ( -1.688 11.364 3.919) 12.139 7.003 ( -9.892 -6.013 3.304) 12.039 7.003 ( -9.892 6.013 3.304) 12.039 7.122 ( 4.804 -6.500 -4.809) 9.405 7.122 ( 4.804 6.500 -4.809) 9.405 7.253 ( -4.671 -4.629 -0.616) 6.605 7.253 ( -4.671 4.629 -0.616) 6.605 7.419 ( -0.019 -2.236 -5.549) 5.982 7.419 ( -0.019 2.236 -5.549) 5.982 7.723 ( -4.896 -3.143 2.420) 6.301 7.723 ( -4.896 3.143 2.420) 6.301 7.833 ( -1.267 -4.953 -3.128) 5.994 7.833 ( -1.267 4.953 -3.128) 5.994 8.088 ( -3.035 -6.786 -5.382) 9.178 8.088 ( -3.035 6.786 -5.382) 9.178 8.406 ( 2.159 -7.414 -0.790) 7.763 8.406 ( 2.159 7.414 -0.790) 7.763 8.494 ( 0.820 -6.282 4.292) 7.652 8.494 ( 0.820 6.282 4.292) 7.652 8.580 ( 3.500 -1.561 8.327) 9.167 8.580 ( 3.500 1.561 8.327) 9.167 8.772 ( 5.586 -3.908 -2.113) 7.137 8.772 ( 5.586 3.908 -2.113) 7.137 9.084 ( 8.453 -4.958 -3.860) 10.532 9.084 ( 8.453 4.958 -3.860) 10.532 9.341 ( -2.089 -8.488 -3.761) 9.516 9.341 ( -2.089 8.488 -3.761) 9.516 9.882 ( 4.804 -10.581 -3.828) 12.234 9.882 ( 4.804 10.581 -3.828) 12.234 10.244 ( 2.257 -5.393 4.035) 7.104 10.244 ( 2.257 5.393 4.035) 7.104 10.558 ( 1.789 -6.711 -11.820) 13.710 10.558 ( 1.789 6.711 -11.820) 13.710 10.820 ( -7.341 -4.770 6.248) 10.756 10.820 ( -7.341 4.770 6.248) 10.756 11.155 ( -1.580 -4.222 8.223) 9.378 11.155 ( -1.580 4.222 8.223) 9.378 11.380 ( 0.810 -3.766 -0.652) 3.907 11.380 ( 0.810 3.766 -0.652) 3.907 11.647 ( 1.523 -3.089 -3.608) 4.988 11.647 ( 1.523 3.089 -3.608) 4.988 11.825 ( 0.331 -5.632 10.629) 12.033 11.825 ( 0.331 5.632 10.629) 12.033 12.174 ( 5.223 -4.856 0.005) 7.131 12.174 ( 5.223 4.856 0.005) 7.131 12.451 ( 0.347 -1.099 3.959) 4.123 12.451 ( 0.347 1.099 3.959) 4.123 12.923 ( -3.561 -5.343 -0.939) 6.490 12.923 ( -3.561 5.343 -0.939) 6.490 13.066 ( 0.086 -7.330 -0.037) 7.331 13.066 ( 0.086 7.330 -0.037) 7.331 13.321 ( 3.915 -0.640 -0.336) 3.981 13.321 ( 3.915 0.640 -0.336) 3.981 13.591 ( -0.202 -1.299 -6.823) 6.948 13.591 ( -0.202 1.299 -6.823) 6.948 13.758 ( 7.987 -3.838 1.850) 9.052 13.758 ( 7.987 3.838 1.850) 9.052 15.534 ( 0.009 -1.619 1.253) 2.048 15.534 ( 0.009 1.619 1.253) 2.048 15.647 ( 2.686 -0.370 0.770) 2.819 15.647 ( 2.686 0.370 0.770) 2.819 16.369 ( -6.985 -6.894 -3.334) 10.365 16.369 ( -6.985 6.894 -3.334) 10.365 16.672 ( -8.331 -4.887 -1.115) 9.723 16.672 ( -8.331 4.887 -1.115) 9.723 17.007 ( 6.611 -5.016 -0.597) 8.320 17.007 ( 6.611 5.016 -0.597) 8.320 17.351 ( 11.740 -2.069 1.943) 12.078 17.351 ( 11.740 2.069 1.943) 12.078 18.361 ( -12.606 -5.800 -3.568) 14.327 18.361 ( -12.606 5.800 -3.568) 14.327 18.668 ( 2.191 -15.643 0.876) 15.820 18.668 ( 2.191 15.643 0.876) 15.820 18.812 ( -3.822 -6.050 -4.952) 8.702 18.812 ( -3.822 6.050 -4.952) 8.702 19.075 ( 7.493 -6.620 -2.737) 10.366 19.075 ( 7.493 6.620 -2.737) 10.366 19.853 ( -4.174 -3.224 -0.320) 5.284 19.853 ( -4.174 3.224 -0.320) 5.284 20.017 ( 2.851 -12.354 1.871) 12.817 20.017 ( 2.851 12.354 1.871) 12.817 20.455 ( -1.168 -10.227 -2.390) 10.567 20.455 ( -1.168 10.227 -2.390) 10.567 20.802 ( 5.202 -5.896 5.453) 9.569 20.802 ( 5.202 5.896 5.453) 9.569 21.403 ( -8.807 -14.163 3.487) 17.039 21.403 ( -8.807 14.163 3.487) 17.039 21.691 ( -3.496 -7.214 2.985) 8.554 21.691 ( -3.496 7.214 2.985) 8.554 22.141 ( 0.356 -1.242 0.282) 1.323 22.141 ( 0.356 1.242 0.282) 1.323 22.347 ( -2.241 -0.344 0.269) 2.283 22.347 ( -2.241 0.344 0.269) 2.283 22.765 ( 0.412 -4.718 0.720) 4.791 22.765 ( 0.412 4.718 0.720) 4.791 22.814 ( 0.339 -3.267 -1.895) 3.792 22.814 ( 0.339 3.267 -1.895) 3.792 23.023 ( -1.238 -3.379 9.289) 9.962 23.023 ( -1.238 3.379 9.289) 9.962 23.483 ( 0.205 -2.031 -5.079) 5.474 23.483 ( 0.205 2.031 -5.079) 5.474 23.812 ( -3.601 -4.679 -1.569) 6.110 23.812 ( -3.601 4.679 -1.569) 6.110 24.043 ( -2.669 -7.962 0.885) 8.444 24.043 ( -2.669 7.962 0.885) 8.444 24.240 ( 0.510 -3.191 -0.806) 3.330 24.240 ( 0.510 3.191 -0.806) 3.330 24.537 ( 0.635 -3.597 -2.058) 4.193 24.537 ( 0.635 3.597 -2.058) 4.193 24.897 ( -0.566 -0.898 -0.916) 1.402 24.897 ( -0.566 0.898 -0.916) 1.402 25.038 ( -0.278 -3.755 -3.251) 4.975 25.038 ( -0.278 3.755 -3.251) 4.975 25.516 ( -7.092 -2.722 0.161) 7.598 25.516 ( -7.092 2.722 0.161) 7.598 25.788 ( -1.509 -4.551 8.787) 10.010 25.788 ( -1.509 4.551 8.787) 10.010 25.974 ( 7.277 -6.164 -2.822) 9.946 25.974 ( 7.277 6.164 -2.822) 9.946 26.306 ( 9.188 -4.536 -3.728) 10.904 26.306 ( 9.188 4.536 -3.728) 10.904 ======================= Grid point 113 (61/64) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.265 -10.103 -3.253) 10.617 1.463 ( -0.265 10.103 -3.253) 10.617 2.097 ( -1.991 -2.470 2.544) 4.066 2.097 ( -1.991 2.470 2.544) 4.066 2.660 ( -3.213 -8.042 -9.550) 12.892 2.660 ( -3.213 8.042 -9.550) 12.892 2.922 ( -4.961 -8.988 1.016) 10.316 2.922 ( -4.961 8.988 1.016) 10.316 3.275 ( 7.245 -5.974 4.405) 10.373 3.275 ( 7.245 5.974 4.405) 10.373 3.420 ( -8.053 -10.918 -1.839) 13.691 3.420 ( -8.053 10.918 -1.839) 13.691 3.666 ( -0.134 -4.414 8.571) 9.642 3.666 ( -0.134 4.414 8.571) 9.642 3.728 ( 7.727 -11.059 7.291) 15.335 3.728 ( 7.727 11.059 7.291) 15.335 4.085 ( 10.885 -7.737 6.446) 14.829 4.085 ( 10.885 7.737 6.446) 14.829 4.242 ( 0.987 -7.322 -3.709) 8.267 4.242 ( 0.987 7.322 -3.709) 8.267 4.418 ( 9.365 -5.432 -1.782) 10.972 4.418 ( 9.365 5.432 -1.782) 10.972 4.680 ( -1.083 -4.272 3.844) 5.848 4.680 ( -1.083 4.272 3.844) 5.848 4.799 ( -1.320 -9.127 -1.228) 9.303 4.799 ( -1.319 9.127 -1.228) 9.303 5.057 ( 0.214 -3.420 -8.187) 8.876 5.057 ( 0.214 3.420 -8.187) 8.876 5.220 ( 0.176 -6.932 0.989) 7.004 5.220 ( 0.176 6.932 0.989) 7.004 5.347 ( 2.925 -5.317 -3.864) 7.194 5.347 ( 2.925 5.317 -3.864) 7.194 5.436 ( -0.230 -5.904 -0.322) 5.917 5.436 ( -0.230 5.904 -0.322) 5.917 5.689 ( -1.873 -3.876 -0.476) 4.331 5.689 ( -1.873 3.876 -0.476) 4.331 5.736 ( -1.805 -0.802 -4.110) 4.560 5.736 ( -1.805 0.802 -4.110) 4.560 5.899 ( -8.476 -7.013 -0.896) 11.038 5.899 ( -8.476 7.013 -0.896) 11.038 6.113 ( -2.960 -4.795 5.383) 7.793 6.113 ( -2.960 4.795 5.383) 7.793 6.245 ( -2.657 -5.363 8.476) 10.377 6.245 ( -2.657 5.363 8.476) 10.377 6.442 ( -7.815 -3.285 -7.040) 11.020 6.442 ( -7.815 3.285 -7.040) 11.020 6.652 ( -4.214 -8.414 -2.787) 9.814 6.652 ( -4.214 8.414 -2.787) 9.814 6.841 ( -3.914 -5.738 5.792) 9.044 6.841 ( -3.914 5.738 5.792) 9.044 7.094 ( -5.035 -1.702 0.684) 5.359 7.094 ( -5.035 1.702 0.684) 5.359 7.231 ( 1.570 -8.082 4.978) 9.621 7.231 ( 1.570 8.082 4.978) 9.621 7.443 ( 2.739 -2.685 -11.648) 12.263 7.443 ( 2.739 2.685 -11.648) 12.263 7.578 ( -6.956 -2.300 5.603) 9.223 7.578 ( -6.956 2.300 5.603) 9.223 7.861 ( -0.045 -9.563 -8.285) 12.653 7.861 ( -0.045 9.563 -8.285) 12.653 8.063 ( 5.381 -9.660 -5.463) 12.333 8.063 ( 5.381 9.660 -5.463) 12.333 8.366 ( -3.789 -7.658 -4.602) 9.705 8.366 ( -3.789 7.658 -4.602) 9.705 8.581 ( 2.192 -4.874 8.401) 9.957 8.582 ( 2.192 4.874 8.401) 9.957 8.676 ( 4.138 -10.325 9.624) 14.709 8.676 ( 4.138 10.325 9.624) 14.709 8.903 ( 3.936 -9.693 -2.770) 10.823 8.903 ( 3.936 9.693 -2.770) 10.823 9.177 ( 4.793 -3.745 6.561) 8.947 9.177 ( 4.793 3.745 6.561) 8.947 9.405 ( 5.453 -3.081 -15.263) 16.498 9.405 ( 5.453 3.081 -15.263) 16.498 9.887 ( -1.186 -9.871 3.326) 10.484 9.887 ( -1.186 9.871 3.326) 10.484 10.265 ( -5.370 -6.162 1.083) 8.245 10.265 ( -5.370 6.162 1.083) 8.245 10.541 ( 1.389 -4.477 -6.976) 8.405 10.541 ( 1.389 4.477 -6.976) 8.405 10.843 ( 7.293 -7.003 -0.131) 10.112 10.843 ( 7.293 7.003 -0.131) 10.112 11.088 ( -4.394 -4.866 6.730) 9.396 11.088 ( -4.394 4.866 6.730) 9.396 11.397 ( -1.661 -6.631 7.302) 10.003 11.397 ( -1.661 6.631 7.302) 10.003 11.560 ( -3.470 -4.575 -4.587) 7.349 11.560 ( -3.470 4.575 -4.587) 7.349 11.955 ( 6.025 -4.723 3.283) 8.330 11.955 ( 6.025 4.723 3.283) 8.330 12.252 ( 1.337 -5.200 -4.640) 7.096 12.252 ( 1.337 5.200 -4.640) 7.096 12.464 ( -0.301 -3.718 7.512) 8.388 12.464 ( -0.301 3.718 7.512) 8.388 12.848 ( -1.351 -4.451 2.488) 5.275 12.848 ( -1.351 4.451 2.488) 5.275 13.099 ( 1.408 -10.192 -2.817) 10.667 13.099 ( 1.408 10.192 -2.817) 10.667 13.383 ( 1.744 -3.407 3.060) 4.900 13.383 ( 1.744 3.407 3.060) 4.900 13.598 ( 1.201 -4.385 -7.199) 8.514 13.598 ( 1.201 4.385 -7.199) 8.514 13.904 ( 4.968 -5.153 1.747) 7.368 13.904 ( 4.968 5.153 1.747) 7.368 15.570 ( 3.136 -1.988 3.380) 5.021 15.570 ( 3.136 1.988 3.380) 5.021 15.764 ( 8.320 -1.007 1.043) 8.446 15.764 ( 8.320 1.007 1.043) 8.446 16.174 ( -9.989 -4.054 -5.081) 11.918 16.174 ( -9.989 4.054 -5.081) 11.918 16.455 ( -10.552 -4.034 -3.349) 11.782 16.455 ( -10.552 4.034 -3.349) 11.782 17.175 ( 7.851 -3.862 0.364) 8.758 17.175 ( 7.851 3.862 0.364) 8.758 17.629 ( 12.536 -5.899 3.584) 14.310 17.629 ( 12.536 5.899 3.584) 14.310 18.085 ( -11.462 -7.460 -3.904) 14.222 18.085 ( -11.462 7.460 -3.904) 14.222 18.527 ( -9.496 -2.690 -6.494) 11.814 18.527 ( -9.496 2.690 -6.494) 11.814 18.881 ( 5.975 -8.191 1.720) 10.283 18.881 ( 5.975 8.191 1.720) 10.283 19.251 ( 8.839 -6.682 -1.423) 11.172 19.251 ( 8.839 6.682 -1.423) 11.172 19.757 ( -4.772 -2.895 -0.888) 5.652 19.757 ( -4.772 2.895 -0.888) 5.652 19.984 ( -6.069 -12.399 -2.644) 14.056 19.984 ( -6.069 12.399 -2.644) 14.056 20.497 ( 6.233 -15.363 -0.994) 16.609 20.497 ( 6.233 15.363 -0.994) 16.609 20.957 ( 6.546 -4.869 9.652) 12.638 20.957 ( 6.546 4.869 9.652) 12.638 21.179 ( -10.809 -19.070 2.178) 22.028 21.179 ( -10.809 19.070 2.178) 22.028 21.591 ( -6.148 -8.998 2.107) 11.100 21.591 ( -6.148 8.998 2.107) 11.100 22.157 ( 1.037 -1.960 1.164) 2.505 22.157 ( 1.037 1.960 1.164) 2.505 22.288 ( -3.004 -1.165 -0.308) 3.237 22.288 ( -3.004 1.165 -0.308) 3.237 22.780 ( 0.273 -5.163 0.787) 5.230 22.780 ( 0.273 5.163 0.787) 5.230 22.800 ( -0.652 -2.580 -1.237) 2.935 22.800 ( -0.652 2.580 -1.237) 2.935 23.041 ( 1.311 -4.270 5.765) 7.293 23.041 ( 1.311 4.270 5.765) 7.293 23.458 ( -1.599 -0.562 -3.411) 3.809 23.458 ( -1.599 0.562 -3.411) 3.809 23.727 ( -3.673 -1.950 -0.105) 4.160 23.727 ( -3.673 1.950 -0.105) 4.160 23.986 ( -1.534 -3.063 -2.516) 4.250 23.986 ( -1.534 3.063 -2.516) 4.250 24.288 ( 3.017 -0.473 0.836) 3.167 24.288 ( 3.017 0.473 0.836) 3.167 24.549 ( 0.781 -5.215 -0.963) 5.361 24.549 ( 0.781 5.215 -0.963) 5.361 24.850 ( -3.758 -1.467 1.124) 4.188 24.850 ( -3.758 1.467 1.124) 4.188 25.013 ( -0.704 -3.373 -5.119) 6.170 25.013 ( -0.704 3.373 -5.119) 6.170 25.426 ( -1.903 -2.968 -0.498) 3.560 25.426 ( -1.903 2.968 -0.498) 3.560 25.765 ( -0.948 -1.463 5.626) 5.890 25.765 ( -0.948 1.463 5.626) 5.890 26.131 ( 6.035 -4.330 -1.690) 7.618 26.131 ( 6.035 4.330 -1.690) 7.618 26.465 ( 5.745 -2.691 -1.521) 6.524 26.465 ( 5.745 2.691 -1.521) 6.524 ======================= Grid point 115 (62/64) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.556 -5.143 -10.378) 11.596 1.463 ( 0.556 5.143 -10.378) 11.596 2.126 ( 4.186 -2.133 -3.325) 5.756 2.126 ( 4.186 2.133 -3.325) 5.756 2.555 ( -4.990 -3.804 -4.067) 7.478 2.555 ( -4.990 3.804 -4.067) 7.478 2.879 ( 0.242 -3.848 2.399) 4.541 2.879 ( 0.242 3.848 2.399) 4.541 3.238 ( -0.879 -3.195 -1.695) 3.722 3.238 ( -0.879 3.195 -1.695) 3.722 3.409 ( -0.174 -2.000 4.962) 5.352 3.409 ( -0.174 2.000 4.962) 5.352 3.668 ( 0.845 -1.846 7.177) 7.459 3.668 ( 0.845 1.846 7.177) 7.459 3.929 ( 6.120 -5.080 14.310) 16.372 3.929 ( 6.120 5.080 14.310) 16.372 4.119 ( -8.753 -2.310 0.330) 9.058 4.119 ( -8.753 2.310 0.330) 9.058 4.387 ( 5.730 -4.160 2.011) 7.361 4.387 ( 5.730 4.160 2.011) 7.361 4.502 ( 0.275 -4.738 0.555) 4.778 4.502 ( 0.275 4.738 0.555) 4.778 4.569 ( -3.075 -2.495 -2.416) 4.639 4.569 ( -3.075 2.495 -2.416) 4.639 4.821 ( -0.184 -9.378 5.084) 10.669 4.821 ( -0.184 9.378 5.084) 10.669 5.038 ( -2.563 -3.661 -11.905) 12.716 5.038 ( -2.563 3.661 -11.905) 12.716 5.226 ( 3.722 -2.423 1.807) 4.794 5.226 ( 3.722 2.423 1.807) 4.794 5.351 ( -3.277 -3.261 -5.188) 6.949 5.351 ( -3.277 3.261 -5.188) 6.949 5.481 ( 1.108 -7.679 4.959) 9.208 5.481 ( 1.108 7.679 4.959) 9.208 5.596 ( -0.659 -3.671 -6.016) 7.078 5.596 ( -0.659 3.671 -6.016) 7.078 5.685 ( -3.194 -1.404 -2.054) 4.049 5.685 ( -3.194 1.404 -2.054) 4.049 5.816 ( 0.877 -5.554 -1.144) 5.738 5.816 ( 0.877 5.554 -1.144) 5.738 6.129 ( 5.434 -0.720 3.833) 6.689 6.129 ( 5.435 0.720 3.833) 6.689 6.200 ( -2.219 -3.409 8.145) 9.104 6.200 ( -2.219 3.409 8.145) 9.104 6.392 ( 2.425 -3.902 -3.703) 5.901 6.392 ( 2.425 3.902 -3.703) 5.901 6.558 ( -1.270 -7.473 -11.294) 13.602 6.558 ( -1.270 7.473 -11.294) 13.602 6.826 ( -0.353 -6.446 4.066) 7.629 6.826 ( -0.353 6.446 4.066) 7.629 7.007 ( -1.710 -3.084 0.392) 3.548 7.007 ( -1.710 3.084 0.392) 3.548 7.290 ( -1.370 -8.544 11.074) 14.053 7.290 ( -1.370 8.544 11.074) 14.053 7.435 ( 3.167 -2.178 0.443) 3.870 7.435 ( 3.167 2.178 0.443) 3.870 7.568 ( 2.957 -4.893 -3.713) 6.817 7.568 ( 2.957 4.893 -3.713) 6.817 7.813 ( 0.412 -1.774 -12.837) 12.965 7.813 ( 0.412 1.774 -12.837) 12.965 8.113 ( -6.601 -7.063 -7.234) 12.075 8.113 ( -6.601 7.063 -7.234) 12.075 8.317 ( 2.270 -2.184 0.319) 3.166 8.317 ( 2.270 2.184 0.319) 3.166 8.621 ( 2.577 -10.471 6.662) 12.675 8.621 ( 2.577 10.471 6.662) 12.675 8.727 ( -1.384 -4.311 2.089) 4.986 8.727 ( -1.384 4.311 2.089) 4.986 8.943 ( 1.332 -8.593 5.795) 10.450 8.943 ( 1.332 8.593 5.795) 10.450 9.326 ( 4.817 -0.822 -0.932) 4.975 9.326 ( 4.817 0.822 -0.932) 4.975 9.416 ( -1.981 -8.710 -13.300) 16.021 9.416 ( -1.981 8.710 -13.300) 16.021 9.878 ( -1.129 -4.611 7.244) 8.661 9.878 ( -1.129 4.611 7.244) 8.661 10.132 ( -3.145 -7.252 -0.815) 7.947 10.132 ( -3.145 7.252 -0.815) 7.947 10.554 ( -0.885 -2.744 0.067) 2.884 10.554 ( -0.885 2.744 0.067) 2.884 10.861 ( -6.926 -5.419 11.033) 14.109 10.861 ( -6.926 5.419 11.033) 14.109 11.167 ( 9.879 -4.597 -12.892) 16.880 11.167 ( 9.879 4.597 -12.892) 16.880 11.371 ( 0.448 -7.688 7.969) 11.083 11.371 ( 0.448 7.688 7.969) 11.083 11.510 ( -1.431 -2.252 -2.775) 3.849 11.510 ( -1.431 2.252 -2.775) 3.849 12.041 ( 1.392 -2.829 -0.953) 3.293 12.041 ( 1.392 2.829 -0.953) 3.293 12.193 ( -4.158 -2.544 3.620) 6.071 12.193 ( -4.158 2.544 3.620) 6.071 12.520 ( 3.450 -3.956 1.153) 5.374 12.520 ( 3.450 3.956 1.153) 5.374 12.835 ( -1.598 -3.100 3.991) 5.301 12.835 ( -1.598 3.100 3.991) 5.301 13.114 ( 0.987 -4.717 -4.086) 6.318 13.114 ( 0.987 4.717 -4.086) 6.318 13.406 ( 0.048 -2.300 3.637) 4.304 13.406 ( 0.048 2.300 3.637) 4.304 13.585 ( -1.783 -4.122 -4.013) 6.023 13.585 ( -1.783 4.122 -4.013) 6.023 13.968 ( 1.028 -0.412 0.307) 1.149 13.968 ( 1.028 0.412 0.307) 1.149 15.650 ( 2.120 -1.244 4.184) 4.853 15.650 ( 2.120 1.244 4.184) 4.853 15.899 ( -5.371 -1.644 4.059) 6.931 15.899 ( -5.371 1.644 4.059) 6.931 16.022 ( 5.045 -3.544 -7.601) 9.787 16.022 ( 5.045 3.544 -7.601) 9.787 16.283 ( -2.285 -2.669 -3.882) 5.236 16.283 ( -2.285 2.669 -3.882) 5.236 17.270 ( -0.745 -1.973 1.864) 2.814 17.270 ( -0.745 1.973 1.864) 2.814 17.801 ( 0.486 -11.136 6.448) 12.877 17.801 ( 0.486 11.136 6.448) 12.877 17.938 ( -0.159 -12.522 -6.582) 14.147 17.938 ( -0.159 12.522 -6.582) 14.147 18.384 ( -0.155 -5.548 -6.368) 8.447 18.384 ( -0.155 5.548 -6.368) 8.447 18.990 ( 3.272 -4.541 -1.568) 5.813 18.990 ( 3.272 4.541 -1.568) 5.813 19.381 ( 0.938 -1.255 -1.041) 1.881 19.381 ( 0.938 1.255 -1.041) 1.881 19.681 ( -0.094 -3.761 -1.292) 3.978 19.681 ( -0.094 3.761 -1.292) 3.978 19.853 ( -2.978 -3.044 -2.925) 5.166 19.853 ( -2.978 3.044 -2.925) 5.166 20.604 ( -0.916 -2.782 2.183) 3.654 20.604 ( -0.916 2.782 2.183) 3.654 20.966 ( -1.084 -5.513 9.374) 10.929 20.966 ( -1.084 5.513 9.374) 10.929 21.147 ( 2.593 -7.724 2.417) 8.499 21.147 ( 2.593 7.724 2.417) 8.499 21.488 ( -1.492 -2.737 1.172) 3.330 21.488 ( -1.492 2.737 1.172) 3.330 22.170 ( -1.070 -1.186 3.247) 3.619 22.170 ( -1.070 1.186 3.247) 3.619 22.253 ( 0.999 -1.715 -2.374) 3.094 22.253 ( 0.999 1.715 -2.374) 3.094 22.758 ( -1.630 -2.988 2.624) 4.298 22.758 ( -1.630 2.988 2.624) 4.298 22.812 ( 1.103 -3.508 -2.280) 4.326 22.812 ( 1.103 3.508 -2.280) 4.326 23.083 ( 1.693 -3.484 2.221) 4.465 23.083 ( 1.693 3.484 2.221) 4.465 23.404 ( -3.095 -2.226 1.038) 3.951 23.404 ( -3.095 2.226 1.038) 3.951 23.685 ( 0.007 -2.475 0.593) 2.545 23.685 ( 0.007 2.475 0.593) 2.545 23.986 ( 2.217 -0.858 -6.197) 6.638 23.986 ( 2.217 0.858 -6.197) 6.638 24.335 ( 0.591 -0.502 0.671) 1.025 24.335 ( 0.591 0.502 0.671) 1.025 24.556 ( -0.440 -0.675 -0.275) 0.852 24.556 ( -0.440 0.675 -0.275) 0.852 24.794 ( -0.265 -2.744 2.239) 3.552 24.794 ( -0.265 2.744 2.239) 3.552 24.998 ( -0.000 -2.545 -5.228) 5.814 24.998 ( -0.000 2.545 -5.228) 5.814 25.406 ( -0.227 -1.260 -0.303) 1.316 25.406 ( -0.227 1.260 -0.303) 1.316 25.766 ( -0.025 -2.100 4.397) 4.873 25.766 ( -0.025 2.100 4.397) 4.873 26.194 ( 0.102 -3.277 -1.920) 3.799 26.194 ( 0.102 3.277 -1.920) 3.799 26.529 ( 0.381 -2.766 -0.966) 2.955 26.529 ( 0.381 2.766 -0.966) 2.955 ======================= Grid point 117 (63/64) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 6.162 -5.877 -7.548) 11.379 1.493 ( 6.162 5.877 -7.548) 11.379 2.196 ( 1.627 -4.018 -6.616) 7.910 2.196 ( 1.627 4.018 -6.616) 7.910 2.496 ( 1.472 -9.895 5.535) 11.433 2.496 ( 1.472 9.895 5.535) 11.433 2.929 ( 2.572 -4.105 1.132) 4.975 2.929 ( 2.572 4.105 1.132) 4.975 3.249 ( -8.750 -5.647 8.669) 13.550 3.249 ( -8.750 5.647 8.669) 13.550 3.384 ( 5.161 -3.372 -1.546) 6.356 3.384 ( 5.161 3.372 -1.546) 6.356 3.695 ( -6.004 -3.058 8.069) 10.512 3.695 ( -6.004 3.058 8.069) 10.512 3.807 ( -7.967 -2.419 -0.596) 8.347 3.807 ( -7.967 2.419 -0.596) 8.347 4.088 ( 4.328 -1.723 8.350) 9.561 4.088 ( 4.328 1.723 8.350) 9.561 4.292 ( -6.297 -8.430 -8.837) 13.741 4.292 ( -6.297 8.430 -8.837) 13.741 4.425 ( -10.529 -3.753 -2.493) 11.452 4.425 ( -10.529 3.753 -2.493) 11.452 4.650 ( 5.793 -10.688 5.748) 13.448 4.650 ( 5.793 10.688 5.748) 13.448 4.813 ( -2.683 -6.991 -2.120) 7.782 4.813 ( -2.683 6.991 -2.120) 7.782 4.950 ( -0.455 -3.589 -1.725) 4.008 4.950 ( -0.455 3.589 -1.725) 4.008 5.226 ( -4.324 -3.799 3.412) 6.692 5.226 ( -4.324 3.799 3.412) 6.692 5.350 ( -0.379 -7.100 -2.494) 7.535 5.350 ( -0.379 7.100 -2.494) 7.535 5.464 ( 1.305 -8.871 -0.794) 9.001 5.464 ( 1.305 8.871 -0.794) 9.001 5.595 ( 2.203 -4.423 -1.247) 5.097 5.595 ( 2.203 4.423 -1.247) 5.097 5.729 ( 6.202 -7.141 -1.553) 9.585 5.729 ( 6.202 7.141 -1.553) 9.585 5.936 ( 7.151 -6.448 -1.583) 9.758 5.936 ( 7.151 6.448 -1.583) 9.758 6.148 ( 2.120 -3.621 5.998) 7.320 6.148 ( 2.120 3.621 5.998) 7.320 6.273 ( -0.001 -10.799 0.269) 10.802 6.273 ( -0.001 10.799 0.269) 10.802 6.450 ( 4.290 -5.593 -7.762) 10.485 6.450 ( 4.290 5.593 -7.762) 10.485 6.666 ( 12.023 -7.295 -4.244) 14.689 6.666 ( 12.023 7.295 -4.244) 14.689 6.845 ( 2.699 -2.030 5.395) 6.365 6.845 ( 2.699 2.030 5.395) 6.365 7.008 ( -0.682 -3.297 6.272) 7.118 7.008 ( -0.682 3.297 6.272) 7.118 7.246 ( -0.844 -2.886 0.843) 3.122 7.246 ( -0.844 2.886 0.843) 3.122 7.515 ( 3.139 -5.745 -6.083) 8.937 7.515 ( 3.139 5.745 -6.083) 8.937 7.661 ( 2.142 -8.918 1.381) 9.275 7.661 ( 2.142 8.918 1.381) 9.275 7.854 ( 5.742 -7.397 -16.687) 19.135 7.854 ( 5.742 7.397 -16.687) 19.135 7.923 ( -4.624 -6.173 7.224) 10.567 7.923 ( -4.624 6.173 7.224) 10.567 8.362 ( 1.394 -3.550 -2.253) 4.430 8.362 ( 1.394 3.550 -2.253) 4.430 8.605 ( -6.098 -8.891 9.288) 14.230 8.605 ( -6.098 8.891 9.288) 14.230 8.723 ( -0.898 -5.435 -0.363) 5.521 8.723 ( -0.898 5.435 -0.363) 5.521 8.953 ( -2.140 -7.735 -1.494) 8.163 8.953 ( -2.140 7.735 -1.494) 8.163 9.238 ( -9.490 -2.307 -9.117) 13.361 9.238 ( -9.490 2.307 -9.117) 13.361 9.378 ( 1.816 -9.591 -7.210) 12.135 9.378 ( 1.816 9.591 -7.210) 12.135 9.878 ( -1.084 -5.770 4.928) 7.665 9.878 ( -1.084 5.770 4.928) 7.665 10.150 ( 2.709 -8.286 9.431) 12.843 10.150 ( 2.709 8.286 9.431) 12.843 10.491 ( -5.915 -1.843 1.724) 6.430 10.491 ( -5.915 1.843 1.724) 6.430 10.771 ( 0.743 -5.092 0.539) 5.174 10.771 ( 0.743 5.092 0.539) 5.174 11.235 ( -0.308 -5.080 -0.906) 5.169 11.235 ( -0.308 5.080 -0.906) 5.169 11.406 ( -3.034 -5.845 5.928) 8.861 11.406 ( -3.034 5.845 5.928) 8.861 11.570 ( 8.512 -4.471 -8.614) 12.909 11.570 ( 8.512 4.471 -8.614) 12.909 12.035 ( 0.225 -4.696 -0.177) 4.705 12.035 ( 0.225 4.696 -0.177) 4.705 12.117 ( -5.717 -4.920 5.000) 9.049 12.117 ( -5.717 4.920 5.000) 9.049 12.556 ( -0.725 -7.654 0.938) 7.746 12.556 ( -0.725 7.654 0.938) 7.746 12.824 ( 1.461 -5.304 2.869) 6.204 12.824 ( 1.461 5.304 2.869) 6.204 13.121 ( 0.061 -4.386 -4.551) 6.321 13.121 ( 0.061 4.386 -4.551) 6.321 13.405 ( -1.127 -2.345 1.588) 3.048 13.405 ( -1.127 2.345 1.588) 3.048 13.506 ( -4.717 -2.271 0.534) 5.262 13.506 ( -4.717 2.271 0.534) 5.262 13.945 ( -3.249 -3.266 -1.934) 4.997 13.945 ( -3.249 3.266 -1.934) 4.997 15.621 ( -3.983 -1.596 -1.039) 4.415 15.621 ( -3.983 1.596 -1.039) 4.415 15.741 ( -6.531 -3.214 2.876) 7.826 15.741 ( -6.531 3.214 2.876) 7.826 16.158 ( 7.267 -3.584 -3.010) 8.644 16.158 ( 7.267 3.584 -3.010) 8.644 16.406 ( 10.974 -4.428 0.463) 11.843 16.406 ( 10.974 4.428 0.463) 11.843 17.163 ( -7.813 -2.593 1.480) 8.364 17.163 ( -7.813 2.593 1.480) 8.364 17.660 ( -12.019 -9.720 0.850) 15.481 17.660 ( -12.019 9.720 0.850) 15.481 18.054 ( 10.162 -9.688 -1.704) 14.143 18.054 ( 10.162 9.688 -1.704) 14.143 18.497 ( 8.791 -11.607 -2.484) 14.770 18.497 ( 8.791 11.607 -2.484) 14.770 18.983 ( -2.742 -6.816 -8.864) 11.513 18.983 ( -2.742 6.816 -8.864) 11.513 19.276 ( -7.525 -7.138 -2.903) 10.771 19.276 ( -7.525 7.138 -2.903) 10.771 19.753 ( 4.720 -3.989 -1.020) 6.264 19.753 ( 4.720 3.989 -1.020) 6.264 19.910 ( 7.230 -5.531 3.592) 9.786 19.910 ( 7.230 5.531 3.592) 9.786 20.450 ( -10.056 -15.245 3.736) 18.642 20.450 ( -10.056 15.245 3.736) 18.642 21.039 ( -3.378 -5.315 5.287) 8.222 21.039 ( -3.378 5.315 5.287) 8.222 21.158 ( 6.504 -14.997 2.267) 16.503 21.158 ( 6.504 14.997 2.267) 16.503 21.577 ( 7.084 -10.546 2.422) 12.933 21.577 ( 7.084 10.546 2.422) 12.933 22.140 ( -1.452 -1.296 2.148) 2.899 22.140 ( -1.452 1.296 2.148) 2.899 22.304 ( 3.178 -1.618 -1.186) 3.758 22.304 ( 3.178 1.618 -1.186) 3.758 22.738 ( -0.636 -3.178 3.063) 4.459 22.738 ( -0.636 3.178 3.063) 4.459 22.821 ( -0.051 -4.080 -1.741) 4.436 22.821 ( -0.051 4.080 -1.741) 4.436 23.111 ( 0.518 -3.546 0.531) 3.622 23.111 ( 0.518 3.546 0.531) 3.622 23.356 ( -1.192 -5.377 3.924) 6.763 23.356 ( -1.192 5.377 3.924) 6.763 23.728 ( 3.632 -4.006 -0.027) 5.407 23.728 ( 3.632 4.006 -0.027) 5.407 24.047 ( 4.410 -3.138 -7.035) 8.876 24.047 ( 4.410 3.138 -7.035) 8.876 24.300 ( -3.602 -0.894 -0.419) 3.735 24.300 ( -3.602 0.894 -0.419) 3.735 24.540 ( -0.414 -3.923 -0.251) 3.953 24.540 ( -0.414 3.923 -0.251) 3.953 24.847 ( 3.387 -5.794 1.712) 6.927 24.847 ( 3.387 5.794 1.712) 6.927 24.994 ( 0.626 -2.867 -3.625) 4.664 24.994 ( 0.626 2.867 -3.625) 4.664 25.418 ( 1.793 -1.404 0.316) 2.299 25.418 ( 1.793 1.404 0.316) 2.299 25.780 ( 0.895 -3.487 4.113) 5.466 25.780 ( 0.895 3.487 4.113) 5.466 26.131 ( -5.537 -2.590 -1.731) 6.353 26.131 ( -5.537 2.590 -1.731) 6.353 26.473 ( -5.448 -5.156 -2.234) 7.827 26.473 ( -5.448 5.156 -2.234) 7.827 ======================= Grid point 119 (64/64) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 13.810 -9.804 -5.620) 17.844 1.721 ( 13.810 9.804 -5.620) 17.844 2.190 ( 0.316 -12.623 2.504) 12.872 2.190 ( 0.316 12.623 2.504) 12.872 2.623 ( 5.597 -13.463 10.303) 17.853 2.623 ( 5.597 13.463 10.303) 17.853 2.780 ( -15.347 -5.190 13.301) 20.961 2.780 ( -15.347 5.190 13.301) 20.961 3.184 ( 1.950 -7.418 -5.320) 9.335 3.184 ( 1.950 7.418 -5.320) 9.335 3.359 ( -3.017 -14.520 4.498) 15.498 3.359 ( -3.017 14.520 4.498) 15.498 3.582 ( -3.317 -10.972 0.670) 11.482 3.582 ( -3.317 10.972 0.670) 11.482 3.797 ( 1.392 -4.291 -1.429) 4.732 3.797 ( 1.392 4.291 -1.429) 4.732 4.054 ( -6.216 -14.570 -4.607) 16.497 4.054 ( -6.216 14.570 -4.607) 16.497 4.133 ( -10.347 -8.822 -9.658) 16.678 4.133 ( -10.347 8.822 -9.658) 16.678 4.337 ( 4.889 -2.842 -0.057) 5.656 4.337 ( 4.889 2.842 -0.057) 5.656 4.648 ( -4.107 -11.168 -1.564) 12.001 4.648 ( -4.107 11.168 -1.564) 12.001 4.798 ( 2.056 -14.070 4.421) 14.890 4.798 ( 2.056 14.070 4.421) 14.890 5.014 ( 3.474 -0.666 1.515) 3.848 5.014 ( 3.474 0.666 1.515) 3.848 5.141 ( -5.461 -2.914 1.098) 6.287 5.141 ( -5.461 2.914 1.098) 6.287 5.291 ( 2.189 -4.655 -1.845) 5.464 5.291 ( 2.189 4.655 -1.845) 5.464 5.498 ( 0.419 -5.325 -0.993) 5.433 5.498 ( 0.419 5.325 -0.993) 5.433 5.724 ( 4.275 -9.821 2.550) 11.011 5.724 ( 4.275 9.821 2.550) 11.011 5.794 ( 2.296 -1.867 -6.209) 6.878 5.794 ( 2.296 1.867 -6.209) 6.878 6.038 ( 0.547 -5.980 0.265) 6.010 6.038 ( 0.547 5.980 0.265) 6.010 6.225 ( 2.162 -1.978 4.142) 5.074 6.225 ( 2.162 1.978 4.142) 5.074 6.327 ( 9.883 -8.506 4.816) 13.900 6.327 ( 9.883 8.506 4.816) 13.900 6.533 ( 0.865 -4.074 -0.461) 4.190 6.533 ( 0.865 4.074 -0.461) 4.190 6.770 ( -1.065 -7.960 -1.787) 8.227 6.770 ( -1.065 7.960 -1.787) 8.227 6.933 ( 1.911 -5.625 5.906) 8.377 6.933 ( 1.911 5.625 5.906) 8.377 7.088 ( 7.289 -5.766 4.296) 10.239 7.088 ( 7.289 5.766 4.296) 10.239 7.265 ( 2.767 -3.498 -6.202) 7.639 7.265 ( 2.767 3.498 -6.202) 7.639 7.539 ( -0.566 -7.619 -13.328) 15.362 7.539 ( -0.566 7.619 -13.328) 15.362 7.669 ( 3.579 -3.082 2.869) 5.526 7.669 ( 3.579 3.082 2.869) 5.526 7.923 ( 2.118 -4.958 -1.705) 5.655 7.923 ( 2.118 4.958 -1.705) 5.655 8.024 ( 7.534 -1.661 -1.607) 7.881 8.024 ( 7.534 1.661 -1.607) 7.881 8.357 ( -1.370 -6.755 1.062) 6.974 8.357 ( -1.370 6.755 1.062) 6.974 8.525 ( -3.446 -7.636 6.448) 10.572 8.525 ( -3.446 7.636 6.448) 10.572 8.608 ( -5.332 -3.791 3.019) 7.205 8.608 ( -5.332 3.791 3.019) 7.205 8.844 ( -6.118 -11.399 -6.867) 14.647 8.844 ( -6.118 11.399 -6.867) 14.647 9.011 ( -9.625 -5.934 -6.279) 12.934 9.011 ( -9.625 5.934 -6.279) 12.934 9.479 ( 8.179 -6.102 -11.892) 15.670 9.479 ( 8.179 6.102 -11.892) 15.670 9.779 ( -9.822 -9.339 6.340) 14.963 9.779 ( -9.822 9.339 6.340) 14.963 10.250 ( 4.187 -8.742 6.843) 11.865 10.250 ( 4.187 8.742 6.843) 11.865 10.366 ( -2.699 -6.977 3.597) 8.301 10.366 ( -2.699 6.977 3.597) 8.301 10.914 ( 10.259 -6.172 -3.805) 12.562 10.914 ( 10.259 6.172 -3.805) 12.562 11.221 ( -0.623 -2.247 2.431) 3.368 11.221 ( -0.623 2.247 2.431) 3.368 11.302 ( -7.039 -1.640 6.861) 9.965 11.302 ( -7.039 1.640 6.861) 9.965 11.669 ( 0.691 -2.781 -5.447) 6.155 11.669 ( 0.691 2.781 -5.447) 6.155 11.945 ( -7.510 -9.090 3.027) 12.173 11.945 ( -7.510 9.090 3.027) 12.173 12.097 ( 2.340 -6.137 1.986) 6.862 12.097 ( 2.340 6.137 1.986) 6.862 12.501 ( -3.445 -9.226 2.431) 10.144 12.501 ( -3.445 9.226 2.431) 10.144 12.897 ( 2.761 -5.570 -0.470) 6.235 12.897 ( 2.761 5.570 -0.470) 6.235 13.118 ( 2.124 -6.337 -4.077) 7.829 13.118 ( 2.124 6.337 -4.077) 7.829 13.309 ( -6.904 -3.708 -0.172) 7.839 13.309 ( -6.904 3.708 -0.172) 7.839 13.476 ( 1.646 -4.199 3.851) 5.931 13.476 ( 1.646 4.199 3.851) 5.931 13.829 ( -6.708 -2.185 -4.229) 8.226 13.829 ( -6.708 2.185 -4.229) 8.226 15.555 ( -1.525 -0.791 -0.603) 1.821 15.555 ( -1.525 0.791 -0.603) 1.821 15.653 ( -2.353 -1.131 0.202) 2.618 15.653 ( -2.353 1.131 0.202) 2.618 16.320 ( 7.442 -4.577 1.906) 8.942 16.320 ( 7.442 4.577 1.906) 8.942 16.634 ( 9.251 -6.615 1.582) 11.482 16.634 ( 9.251 6.615 1.582) 11.482 17.007 ( -6.050 -4.116 -0.682) 7.349 17.007 ( -6.050 4.116 -0.682) 7.349 17.391 ( -12.036 -7.758 -1.611) 14.410 17.391 ( -12.036 7.758 -1.611) 14.410 18.288 ( 10.945 -8.632 2.338) 14.134 18.288 ( 10.945 8.632 2.338) 14.134 18.656 ( 4.670 -14.161 0.951) 14.941 18.656 ( 4.670 14.161 0.951) 14.941 18.892 ( -2.516 -13.890 -10.550) 17.623 18.892 ( -2.516 13.890 -10.550) 17.623 19.118 ( -6.174 -4.376 -6.755) 10.144 19.118 ( -6.174 4.376 -6.755) 10.144 19.846 ( 4.041 -2.787 -0.030) 4.909 19.846 ( 4.041 2.787 -0.030) 4.909 20.029 ( -0.091 -6.548 0.894) 6.609 20.029 ( -0.091 6.548 0.894) 6.609 20.329 ( 0.466 -9.216 8.257) 12.382 20.329 ( 0.466 9.216 8.257) 12.382 20.900 ( -7.023 -4.977 -2.155) 8.873 20.900 ( -7.023 4.977 -2.155) 8.873 21.359 ( 8.296 -16.356 8.155) 20.071 21.359 ( 8.296 16.356 8.155) 20.071 21.705 ( 3.803 -11.965 0.982) 12.594 21.705 ( 3.803 11.965 0.982) 12.594 22.128 ( -0.010 -1.518 1.194) 1.932 22.128 ( -0.010 1.518 1.194) 1.932 22.359 ( 1.809 -1.112 -0.454) 2.172 22.359 ( 1.809 1.112 -0.454) 2.172 22.743 ( 0.568 -3.634 2.751) 4.593 22.743 ( 0.568 3.634 2.751) 4.593 22.806 ( -0.835 -4.014 -0.992) 4.218 22.806 ( -0.835 4.014 -0.992) 4.218 23.099 ( -1.990 -2.126 4.179) 5.094 23.099 ( -1.990 2.126 4.179) 5.094 23.385 ( 3.168 -4.683 0.589) 5.685 23.385 ( 3.168 4.683 0.589) 5.685 23.815 ( 3.947 -3.372 -0.459) 5.211 23.815 ( 3.947 3.372 -0.459) 5.211 24.115 ( 1.290 -5.591 -6.004) 8.305 24.115 ( 1.290 5.591 -6.004) 8.305 24.230 ( -0.825 -4.271 0.465) 4.374 24.230 ( -0.825 4.271 0.465) 4.374 24.536 ( 0.036 -1.595 -2.380) 2.865 24.536 ( 0.036 1.595 -2.380) 2.865 24.885 ( 0.168 -4.490 0.408) 4.511 24.885 ( 0.168 4.490 0.408) 4.511 25.018 ( 1.512 -1.044 -1.405) 2.313 25.018 ( 1.512 1.044 -1.405) 2.313 25.505 ( 6.445 -2.197 1.188) 6.912 25.505 ( 6.445 2.197 1.188) 6.912 25.828 ( 2.200 -5.800 6.085) 8.689 25.828 ( 2.200 5.800 6.085) 8.689 25.973 ( -7.674 -3.939 -3.693) 9.383 25.973 ( -7.674 3.939 -3.693) 9.383 26.304 ( -9.271 -6.682 -3.694) 12.011 26.304 ( -9.271 6.682 -3.694) 12.011 =================== 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 3/30240 10.0 1012.839 1069.426 1039.781 0.000 330.513 0.000 3/30240 20.0 139.055 80.009 150.795 0.000 40.825 0.000 3/30240 30.0 43.216 25.097 50.602 0.000 12.208 0.000 3/30240 40.0 20.940 12.816 25.306 0.000 5.654 0.000 3/30240 50.0 12.804 8.242 15.710 0.000 3.294 0.000 3/30240 60.0 8.975 6.024 11.092 0.000 2.198 0.000 3/30240 70.0 6.859 4.761 8.506 0.000 1.600 0.000 3/30240 80.0 5.553 3.960 6.897 0.000 1.235 0.000 3/30240 90.0 4.679 3.410 5.816 0.000 0.995 0.000 3/30240 100.0 4.057 3.010 5.045 0.000 0.827 0.000 3/30240 110.0 3.594 2.706 4.468 0.000 0.704 0.000 3/30240 120.0 3.235 2.466 4.021 0.000 0.611 0.000 3/30240 130.0 2.949 2.272 3.663 0.000 0.539 0.000 3/30240 140.0 2.715 2.111 3.371 0.000 0.481 0.000 3/30240 150.0 2.519 1.975 3.127 0.000 0.434 0.000 3/30240 160.0 2.354 1.859 2.919 0.000 0.395 0.000 3/30240 170.0 2.211 1.758 2.741 0.000 0.363 0.000 3/30240 180.0 2.087 1.669 2.586 0.000 0.335 0.000 3/30240 190.0 1.978 1.591 2.449 0.000 0.312 0.000 3/30240 200.0 1.881 1.520 2.328 0.000 0.291 0.000 3/30240 210.0 1.795 1.457 2.219 0.000 0.273 0.000 3/30240 220.0 1.716 1.400 2.122 0.000 0.258 0.000 3/30240 230.0 1.646 1.348 2.033 0.000 0.244 0.000 3/30240 240.0 1.581 1.300 1.952 0.000 0.231 0.000 3/30240 250.0 1.522 1.255 1.879 0.000 0.220 0.000 3/30240 260.0 1.467 1.215 1.811 0.000 0.210 0.000 3/30240 270.0 1.417 1.176 1.748 0.000 0.200 0.000 3/30240 280.0 1.370 1.141 1.689 0.000 0.192 0.000 3/30240 290.0 1.327 1.108 1.635 0.000 0.184 0.000 3/30240 300.0 1.286 1.076 1.585 0.000 0.177 0.000 3/30240 310.0 1.248 1.047 1.537 0.000 0.170 0.000 3/30240 320.0 1.212 1.019 1.493 0.000 0.164 0.000 3/30240 330.0 1.178 0.993 1.451 0.000 0.159 0.000 3/30240 340.0 1.147 0.968 1.411 0.000 0.153 0.000 3/30240 350.0 1.117 0.944 1.374 0.000 0.149 0.000 3/30240 360.0 1.088 0.922 1.339 0.000 0.144 0.000 3/30240 370.0 1.061 0.900 1.305 0.000 0.140 0.000 3/30240 380.0 1.036 0.880 1.273 0.000 0.136 0.000 3/30240 390.0 1.011 0.860 1.243 0.000 0.132 0.000 3/30240 400.0 0.988 0.842 1.214 0.000 0.128 0.000 3/30240 410.0 0.966 0.824 1.187 0.000 0.125 0.000 3/30240 420.0 0.944 0.807 1.161 0.000 0.121 0.000 3/30240 430.0 0.924 0.790 1.135 0.000 0.118 0.000 3/30240 440.0 0.905 0.774 1.111 0.000 0.115 0.000 3/30240 450.0 0.886 0.759 1.088 0.000 0.113 0.000 3/30240 460.0 0.868 0.745 1.066 0.000 0.110 0.000 3/30240 470.0 0.851 0.731 1.045 0.000 0.108 0.000 3/30240 480.0 0.835 0.717 1.025 0.000 0.105 0.000 3/30240 490.0 0.819 0.704 1.005 0.000 0.103 0.000 3/30240 500.0 0.803 0.691 0.986 0.000 0.101 0.000 3/30240 510.0 0.789 0.679 0.968 0.000 0.099 0.000 3/30240 520.0 0.774 0.667 0.951 0.000 0.096 0.000 3/30240 530.0 0.761 0.656 0.934 0.000 0.095 0.000 3/30240 540.0 0.747 0.645 0.917 0.000 0.093 0.000 3/30240 550.0 0.735 0.634 0.902 0.000 0.091 0.000 3/30240 560.0 0.722 0.624 0.886 0.000 0.089 0.000 3/30240 570.0 0.710 0.614 0.872 0.000 0.088 0.000 3/30240 580.0 0.699 0.604 0.857 0.000 0.086 0.000 3/30240 590.0 0.688 0.595 0.844 0.000 0.084 0.000 3/30240 600.0 0.677 0.586 0.830 0.000 0.083 0.000 3/30240 610.0 0.666 0.577 0.817 0.000 0.082 0.000 3/30240 620.0 0.656 0.568 0.805 0.000 0.080 0.000 3/30240 630.0 0.646 0.560 0.793 0.000 0.079 0.000 3/30240 640.0 0.637 0.552 0.781 0.000 0.078 0.000 3/30240 650.0 0.627 0.544 0.769 0.000 0.076 0.000 3/30240 660.0 0.618 0.536 0.758 0.000 0.075 0.000 3/30240 670.0 0.609 0.529 0.747 0.000 0.074 0.000 3/30240 680.0 0.601 0.522 0.737 0.000 0.073 0.000 3/30240 690.0 0.593 0.515 0.726 0.000 0.072 0.000 3/30240 700.0 0.584 0.508 0.717 0.000 0.071 0.000 3/30240 710.0 0.577 0.501 0.707 0.000 0.070 0.000 3/30240 720.0 0.569 0.495 0.697 0.000 0.069 0.000 3/30240 730.0 0.561 0.488 0.688 0.000 0.068 0.000 3/30240 740.0 0.554 0.482 0.679 0.000 0.067 0.000 3/30240 750.0 0.547 0.476 0.671 0.000 0.066 0.000 3/30240 760.0 0.540 0.470 0.662 0.000 0.065 0.000 3/30240 770.0 0.533 0.464 0.654 0.000 0.064 0.000 3/30240 780.0 0.527 0.459 0.646 0.000 0.063 0.000 3/30240 790.0 0.520 0.453 0.638 0.000 0.062 0.000 3/30240 800.0 0.514 0.448 0.630 0.000 0.062 0.000 3/30240 810.0 0.508 0.443 0.622 0.000 0.061 0.000 3/30240 820.0 0.502 0.437 0.615 0.000 0.060 0.000 3/30240 830.0 0.496 0.432 0.608 0.000 0.059 0.000 3/30240 840.0 0.490 0.427 0.601 0.000 0.058 0.000 3/30240 850.0 0.485 0.423 0.594 0.000 0.058 0.000 3/30240 860.0 0.479 0.418 0.587 0.000 0.057 0.000 3/30240 870.0 0.474 0.413 0.581 0.000 0.056 0.000 3/30240 880.0 0.469 0.409 0.574 0.000 0.056 0.000 3/30240 890.0 0.464 0.405 0.568 0.000 0.055 0.000 3/30240 900.0 0.459 0.400 0.562 0.000 0.054 0.000 3/30240 910.0 0.454 0.396 0.556 0.000 0.054 0.000 3/30240 920.0 0.449 0.392 0.550 0.000 0.053 0.000 3/30240 930.0 0.444 0.388 0.544 0.000 0.053 0.000 3/30240 940.0 0.440 0.384 0.539 0.000 0.052 0.000 3/30240 950.0 0.435 0.380 0.533 0.000 0.052 0.000 3/30240 960.0 0.431 0.376 0.528 0.000 0.051 0.000 3/30240 970.0 0.426 0.372 0.522 0.000 0.050 0.000 3/30240 980.0 0.422 0.369 0.517 0.000 0.050 0.000 3/30240 990.0 0.418 0.365 0.512 0.000 0.049 0.000 3/30240 1000.0 0.414 0.362 0.507 0.000 0.049 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m665.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:37:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|