----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:36:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.115373355159342 -3.505417470000000 0.000000000000000 b 8.115373355159342 3.505417470000000 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): *1 Li 0.79251351106276 0.20748648893724 0.25000000000000 6.941 2 Li 0.20748648893724 0.79251351106276 0.75000000000000 6.941 *3 O 0.48823896082523 0.25762924937628 0.47658489110162 15.999 4 O 0.74237075062372 0.51176103917477 0.02341510889838 15.999 5 O 0.51176103917477 0.74237075062372 0.52341510889839 15.999 6 O 0.25762924937628 0.48823896082523 0.97658489110161 15.999 *7 O 0.51046875674433 0.35101169970515 0.27617315204324 15.999 8 O 0.64898830029485 0.48953124325567 0.22382684795676 15.999 9 O 0.48953124325567 0.64898830029485 0.72382684795676 15.999 10 O 0.35101169970515 0.51046875674433 0.77617315204324 15.999 *11 O 0.67122122920285 0.10438215351989 0.81689329193937 15.999 12 O 0.89561784648011 0.32877877079715 0.68310670806063 15.999 13 O 0.32877877079715 0.89561784648011 0.18310670806063 15.999 14 O 0.10438215351989 0.67122122920285 0.31689329193937 15.999 *15 O 0.93480797272069 0.93697123140954 0.07414550538745 15.999 16 O 0.06302876859046 0.06519202727931 0.42585449461255 15.999 17 O 0.06519202727931 0.06302876859046 0.92585449461255 15.999 18 O 0.93697123140954 0.93480797272069 0.57414550538745 15.999 *19 O 0.67970428364678 0.83021200679212 0.85134777951533 15.999 20 O 0.16978799320788 0.32029571635322 0.64865222048467 15.999 21 O 0.32029571635323 0.16978799320788 0.14865222048467 15.999 22 O 0.83021200679212 0.67970428364677 0.35134777951533 15.999 *23 O 0.97212316036967 0.71724953565284 0.76531482118335 15.999 24 O 0.28275046434716 0.02787683963033 0.73468517881665 15.999 25 O 0.02787683963033 0.28275046434716 0.23468517881665 15.999 26 O 0.71724953565284 0.97212316036967 0.26531482118335 15.999 *27 P 0.50180007638729 0.20766807222743 0.30609446426071 30.974 28 P 0.79233192777257 0.49819992361271 0.19390553573929 30.974 29 P 0.49819992361271 0.79233192777257 0.69390553573929 30.974 30 P 0.20766807222743 0.50180007638729 0.80609446426071 30.974 *31 P 0.91404925562985 0.81288298812420 0.38488007690123 30.974 32 P 0.18711701187581 0.08595074437015 0.11511992309877 30.974 33 P 0.08595074437015 0.18711701187580 0.61511992309877 30.974 34 P 0.81288298812420 0.91404925562985 0.88488007690123 30.974 *35 Dy 0.29487147715356 0.70512852284644 0.25000000000000 162.500 36 Dy 0.70512852284644 0.29487147715356 0.75000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.230746710318684 0.000000000000000 0.000000000000000 b 0.000000000000000 7.010834940000000 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): *1 Li 0.00000000000000 0.20748648893724 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.79251351106276 0.75000000000000 6.941 > 2 3 Li 0.50000000000000 0.70748648893724 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.29251351106276 0.75000000000000 6.941 > 2 *5 O 0.87293410510075 0.38469514427552 0.47658489110162 15.999 > 3 6 O 0.62706589489925 0.88469514427552 0.02341510889838 15.999 > 4 7 O 0.12706589489924 0.61530485572448 0.52341510889839 15.999 > 5 8 O 0.37293410510075 0.11530485572448 0.97658489110161 15.999 > 6 *9 O 0.93074022822474 0.42027147148041 0.27617315204324 15.999 > 7 10 O 0.06925977177526 0.42027147148041 0.22382684795676 15.999 > 8 11 O 0.06925977177526 0.57972852851959 0.72382684795676 15.999 > 9 12 O 0.93074022822474 0.57972852851959 0.77617315204324 15.999 > 10 *13 O 0.38780169136137 0.71658046215852 0.81689329193937 15.999 > 11 14 O 0.11219830863863 0.21658046215852 0.68310670806063 15.999 > 12 15 O 0.61219830863863 0.28341953784148 0.18310670806063 15.999 > 13 16 O 0.88780169136137 0.78341953784148 0.31689329193937 15.999 > 14 *17 O 0.93588960206512 0.00108162934443 0.07414550538745 15.999 > 15 18 O 0.06411039793488 0.00108162934443 0.42585449461255 15.999 > 16 19 O 0.06411039793488 0.99891837065557 0.92585449461255 15.999 > 17 20 O 0.93588960206512 0.99891837065557 0.57414550538745 15.999 > 18 *21 O 0.25495814521945 0.57525386157267 0.85134777951533 15.999 > 19 22 O 0.24504185478055 0.07525386157267 0.64865222048467 15.999 > 20 23 O 0.74504185478055 0.42474613842733 0.14865222048467 15.999 > 21 24 O 0.75495814521945 0.92474613842733 0.35134777951533 15.999 > 22 *25 O 0.34468634801125 0.37256318764158 0.76531482118335 15.999 > 23 26 O 0.15531365198875 0.87256318764158 0.73468517881665 15.999 > 24 27 O 0.65531365198875 0.62743681235842 0.23468517881665 15.999 > 25 28 O 0.84468634801125 0.12743681235842 0.26531482118335 15.999 > 26 29 O 0.37293410510075 0.88469514427552 0.47658489110162 15.999 > 3 30 O 0.12706589489924 0.38469514427552 0.02341510889838 15.999 > 4 31 O 0.62706589489925 0.11530485572448 0.52341510889839 15.999 > 5 32 O 0.87293410510075 0.61530485572448 0.97658489110161 15.999 > 6 33 O 0.43074022822474 0.92027147148041 0.27617315204324 15.999 > 7 34 O 0.56925977177526 0.92027147148041 0.22382684795676 15.999 > 8 35 O 0.56925977177526 0.07972852851959 0.72382684795676 15.999 > 9 36 O 0.43074022822474 0.07972852851959 0.77617315204324 15.999 > 10 37 O 0.88780169136137 0.21658046215852 0.81689329193937 15.999 > 11 38 O 0.61219830863863 0.71658046215852 0.68310670806063 15.999 > 12 39 O 0.11219830863863 0.78341953784148 0.18310670806063 15.999 > 13 40 O 0.38780169136137 0.28341953784148 0.31689329193937 15.999 > 14 41 O 0.43588960206512 0.50108162934443 0.07414550538745 15.999 > 15 42 O 0.56411039793488 0.50108162934443 0.42585449461255 15.999 > 16 43 O 0.56411039793488 0.49891837065557 0.92585449461255 15.999 > 17 44 O 0.43588960206512 0.49891837065557 0.57414550538745 15.999 > 18 45 O 0.75495814521945 0.07525386157267 0.85134777951533 15.999 > 19 46 O 0.74504185478055 0.57525386157267 0.64865222048467 15.999 > 20 47 O 0.24504185478055 0.92474613842733 0.14865222048467 15.999 > 21 48 O 0.25495814521945 0.42474613842733 0.35134777951533 15.999 > 22 49 O 0.84468634801125 0.87256318764158 0.76531482118335 15.999 > 23 50 O 0.65531365198875 0.37256318764158 0.73468517881665 15.999 > 24 51 O 0.15531365198875 0.12743681235842 0.23468517881665 15.999 > 25 52 O 0.34468634801125 0.62743681235842 0.26531482118335 15.999 > 26 *53 P 0.85473407430736 0.35293399792007 0.30609446426071 30.974 > 27 54 P 0.64526592569264 0.85293399792007 0.19390553573929 30.974 > 28 55 P 0.14526592569264 0.64706600207993 0.69390553573929 30.974 > 29 56 P 0.35473407430736 0.14706600207993 0.80609446426071 30.974 > 30 *57 P 0.86346612187702 0.94941686624717 0.38488007690123 30.974 > 31 58 P 0.63653387812298 0.44941686624717 0.11511992309877 30.974 > 32 59 P 0.13653387812298 0.05058313375283 0.61511992309877 30.974 > 33 60 P 0.36346612187702 0.55058313375283 0.88488007690123 30.974 > 34 61 P 0.35473407430736 0.85293399792007 0.30609446426071 30.974 > 27 62 P 0.14526592569264 0.35293399792007 0.19390553573929 30.974 > 28 63 P 0.64526592569264 0.14706600207993 0.69390553573929 30.974 > 29 64 P 0.85473407430736 0.64706600207993 0.80609446426071 30.974 > 30 65 P 0.36346612187702 0.44941686624717 0.38488007690123 30.974 > 31 66 P 0.13653387812298 0.94941686624717 0.11511992309877 30.974 > 32 67 P 0.63653387812298 0.55058313375283 0.61511992309877 30.974 > 33 68 P 0.86346612187702 0.05058313375283 0.88488007690123 30.974 > 34 *69 Dy 0.00000000000000 0.70512852284644 0.25000000000000 162.500 > 35 70 Dy 0.00000000000000 0.29487147715356 0.75000000000000 162.500 > 36 71 Dy 0.50000000000000 0.20512852284644 0.25000000000000 162.500 > 35 72 Dy 0.50000000000000 0.79487147715356 0.75000000000000 162.500 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.230746710318684 0.000000000000000 0.000000000000000 b 0.000000000000000 14.021669879999999 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): *1 Li 0.00000000000000 0.10374324446862 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.60374324446862 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.39625675553138 0.75000000000000 6.941 > 2 4 Li 0.00000000000000 0.89625675553138 0.75000000000000 6.941 > 2 5 Li 0.50000000000000 0.35374324446862 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.85374324446862 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.14625675553138 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.64625675553138 0.75000000000000 6.941 > 2 *9 O 0.87293410510075 0.19234757213776 0.47658489110162 15.999 > 3 10 O 0.87293410510075 0.69234757213776 0.47658489110162 15.999 > 3 11 O 0.62706589489925 0.44234757213776 0.02341510889838 15.999 > 4 12 O 0.62706589489925 0.94234757213776 0.02341510889838 15.999 > 4 13 O 0.12706589489924 0.30765242786224 0.52341510889839 15.999 > 5 14 O 0.12706589489924 0.80765242786224 0.52341510889839 15.999 > 5 15 O 0.37293410510075 0.05765242786224 0.97658489110161 15.999 > 6 16 O 0.37293410510075 0.55765242786224 0.97658489110161 15.999 > 6 *17 O 0.93074022822474 0.21013573574020 0.27617315204324 15.999 > 7 18 O 0.93074022822474 0.71013573574020 0.27617315204324 15.999 > 7 19 O 0.06925977177526 0.21013573574020 0.22382684795676 15.999 > 8 20 O 0.06925977177526 0.71013573574020 0.22382684795676 15.999 > 8 21 O 0.06925977177526 0.28986426425980 0.72382684795676 15.999 > 9 22 O 0.06925977177526 0.78986426425980 0.72382684795676 15.999 > 9 23 O 0.93074022822474 0.28986426425980 0.77617315204324 15.999 > 10 24 O 0.93074022822474 0.78986426425980 0.77617315204324 15.999 > 10 *25 O 0.38780169136137 0.35829023107926 0.81689329193937 15.999 > 11 26 O 0.38780169136137 0.85829023107926 0.81689329193937 15.999 > 11 27 O 0.11219830863863 0.10829023107926 0.68310670806063 15.999 > 12 28 O 0.11219830863863 0.60829023107926 0.68310670806063 15.999 > 12 29 O 0.61219830863863 0.14170976892074 0.18310670806063 15.999 > 13 30 O 0.61219830863863 0.64170976892074 0.18310670806063 15.999 > 13 31 O 0.88780169136137 0.39170976892074 0.31689329193937 15.999 > 14 32 O 0.88780169136137 0.89170976892074 0.31689329193937 15.999 > 14 *33 O 0.93588960206512 0.00054081467221 0.07414550538745 15.999 > 15 34 O 0.93588960206512 0.50054081467221 0.07414550538745 15.999 > 15 35 O 0.06411039793488 0.00054081467221 0.42585449461255 15.999 > 16 36 O 0.06411039793488 0.50054081467221 0.42585449461255 15.999 > 16 37 O 0.06411039793488 0.49945918532779 0.92585449461255 15.999 > 17 38 O 0.06411039793488 0.99945918532779 0.92585449461255 15.999 > 17 39 O 0.93588960206512 0.49945918532779 0.57414550538745 15.999 > 18 40 O 0.93588960206512 0.99945918532779 0.57414550538745 15.999 > 18 *41 O 0.25495814521945 0.28762693078634 0.85134777951533 15.999 > 19 42 O 0.25495814521945 0.78762693078634 0.85134777951533 15.999 > 19 43 O 0.24504185478055 0.03762693078634 0.64865222048467 15.999 > 20 44 O 0.24504185478055 0.53762693078634 0.64865222048467 15.999 > 20 45 O 0.74504185478055 0.21237306921366 0.14865222048467 15.999 > 21 46 O 0.74504185478055 0.71237306921366 0.14865222048467 15.999 > 21 47 O 0.75495814521945 0.46237306921366 0.35134777951533 15.999 > 22 48 O 0.75495814521945 0.96237306921366 0.35134777951533 15.999 > 22 *49 O 0.34468634801125 0.18628159382079 0.76531482118335 15.999 > 23 50 O 0.34468634801125 0.68628159382079 0.76531482118335 15.999 > 23 51 O 0.15531365198875 0.43628159382079 0.73468517881665 15.999 > 24 52 O 0.15531365198875 0.93628159382079 0.73468517881665 15.999 > 24 53 O 0.65531365198875 0.31371840617921 0.23468517881665 15.999 > 25 54 O 0.65531365198875 0.81371840617921 0.23468517881665 15.999 > 25 55 O 0.84468634801125 0.06371840617921 0.26531482118335 15.999 > 26 56 O 0.84468634801125 0.56371840617921 0.26531482118335 15.999 > 26 57 O 0.37293410510075 0.44234757213776 0.47658489110162 15.999 > 3 58 O 0.37293410510075 0.94234757213776 0.47658489110162 15.999 > 3 59 O 0.12706589489924 0.19234757213776 0.02341510889838 15.999 > 4 60 O 0.12706589489924 0.69234757213776 0.02341510889838 15.999 > 4 61 O 0.62706589489925 0.05765242786224 0.52341510889839 15.999 > 5 62 O 0.62706589489925 0.55765242786224 0.52341510889839 15.999 > 5 63 O 0.87293410510075 0.30765242786224 0.97658489110161 15.999 > 6 64 O 0.87293410510075 0.80765242786224 0.97658489110161 15.999 > 6 65 O 0.43074022822474 0.46013573574020 0.27617315204324 15.999 > 7 66 O 0.43074022822474 0.96013573574020 0.27617315204324 15.999 > 7 67 O 0.56925977177526 0.46013573574020 0.22382684795676 15.999 > 8 68 O 0.56925977177526 0.96013573574020 0.22382684795676 15.999 > 8 69 O 0.56925977177526 0.03986426425980 0.72382684795676 15.999 > 9 70 O 0.56925977177526 0.53986426425980 0.72382684795676 15.999 > 9 71 O 0.43074022822474 0.03986426425980 0.77617315204324 15.999 > 10 72 O 0.43074022822474 0.53986426425980 0.77617315204324 15.999 > 10 73 O 0.88780169136137 0.10829023107926 0.81689329193937 15.999 > 11 74 O 0.88780169136137 0.60829023107926 0.81689329193937 15.999 > 11 75 O 0.61219830863863 0.35829023107926 0.68310670806063 15.999 > 12 76 O 0.61219830863863 0.85829023107926 0.68310670806063 15.999 > 12 77 O 0.11219830863863 0.39170976892074 0.18310670806063 15.999 > 13 78 O 0.11219830863863 0.89170976892074 0.18310670806063 15.999 > 13 79 O 0.38780169136137 0.14170976892074 0.31689329193937 15.999 > 14 80 O 0.38780169136137 0.64170976892074 0.31689329193937 15.999 > 14 81 O 0.43588960206512 0.25054081467221 0.07414550538745 15.999 > 15 82 O 0.43588960206512 0.75054081467221 0.07414550538745 15.999 > 15 83 O 0.56411039793488 0.25054081467221 0.42585449461255 15.999 > 16 84 O 0.56411039793488 0.75054081467221 0.42585449461255 15.999 > 16 85 O 0.56411039793488 0.24945918532779 0.92585449461255 15.999 > 17 86 O 0.56411039793488 0.74945918532779 0.92585449461255 15.999 > 17 87 O 0.43588960206512 0.24945918532779 0.57414550538745 15.999 > 18 88 O 0.43588960206512 0.74945918532779 0.57414550538745 15.999 > 18 89 O 0.75495814521945 0.03762693078634 0.85134777951533 15.999 > 19 90 O 0.75495814521945 0.53762693078634 0.85134777951533 15.999 > 19 91 O 0.74504185478055 0.28762693078634 0.64865222048467 15.999 > 20 92 O 0.74504185478055 0.78762693078634 0.64865222048467 15.999 > 20 93 O 0.24504185478055 0.46237306921366 0.14865222048467 15.999 > 21 94 O 0.24504185478055 0.96237306921366 0.14865222048467 15.999 > 21 95 O 0.25495814521945 0.21237306921366 0.35134777951533 15.999 > 22 96 O 0.25495814521945 0.71237306921366 0.35134777951533 15.999 > 22 97 O 0.84468634801125 0.43628159382079 0.76531482118335 15.999 > 23 98 O 0.84468634801125 0.93628159382079 0.76531482118335 15.999 > 23 99 O 0.65531365198875 0.18628159382079 0.73468517881665 15.999 > 24 100 O 0.65531365198875 0.68628159382079 0.73468517881665 15.999 > 24 101 O 0.15531365198875 0.06371840617921 0.23468517881665 15.999 > 25 102 O 0.15531365198875 0.56371840617921 0.23468517881665 15.999 > 25 103 O 0.34468634801125 0.31371840617921 0.26531482118335 15.999 > 26 104 O 0.34468634801125 0.81371840617921 0.26531482118335 15.999 > 26 *105 P 0.85473407430736 0.17646699896003 0.30609446426071 30.974 > 27 106 P 0.85473407430736 0.67646699896003 0.30609446426071 30.974 > 27 107 P 0.64526592569264 0.42646699896003 0.19390553573929 30.974 > 28 108 P 0.64526592569264 0.92646699896003 0.19390553573929 30.974 > 28 109 P 0.14526592569264 0.32353300103997 0.69390553573929 30.974 > 29 110 P 0.14526592569264 0.82353300103997 0.69390553573929 30.974 > 29 111 P 0.35473407430736 0.07353300103997 0.80609446426071 30.974 > 30 112 P 0.35473407430736 0.57353300103997 0.80609446426071 30.974 > 30 *113 P 0.86346612187702 0.47470843312359 0.38488007690123 30.974 > 31 114 P 0.86346612187702 0.97470843312359 0.38488007690123 30.974 > 31 115 P 0.63653387812298 0.22470843312359 0.11511992309877 30.974 > 32 116 P 0.63653387812298 0.72470843312359 0.11511992309877 30.974 > 32 117 P 0.13653387812298 0.02529156687641 0.61511992309877 30.974 > 33 118 P 0.13653387812298 0.52529156687641 0.61511992309877 30.974 > 33 119 P 0.36346612187702 0.27529156687641 0.88488007690123 30.974 > 34 120 P 0.36346612187702 0.77529156687641 0.88488007690123 30.974 > 34 121 P 0.35473407430736 0.42646699896003 0.30609446426071 30.974 > 27 122 P 0.35473407430736 0.92646699896003 0.30609446426071 30.974 > 27 123 P 0.14526592569264 0.17646699896003 0.19390553573929 30.974 > 28 124 P 0.14526592569264 0.67646699896003 0.19390553573929 30.974 > 28 125 P 0.64526592569264 0.07353300103997 0.69390553573929 30.974 > 29 126 P 0.64526592569264 0.57353300103997 0.69390553573929 30.974 > 29 127 P 0.85473407430736 0.32353300103997 0.80609446426071 30.974 > 30 128 P 0.85473407430736 0.82353300103997 0.80609446426071 30.974 > 30 129 P 0.36346612187702 0.22470843312359 0.38488007690123 30.974 > 31 130 P 0.36346612187702 0.72470843312359 0.38488007690123 30.974 > 31 131 P 0.13653387812298 0.47470843312359 0.11511992309877 30.974 > 32 132 P 0.13653387812298 0.97470843312359 0.11511992309877 30.974 > 32 133 P 0.63653387812298 0.27529156687641 0.61511992309877 30.974 > 33 134 P 0.63653387812298 0.77529156687641 0.61511992309877 30.974 > 33 135 P 0.86346612187702 0.02529156687641 0.88488007690123 30.974 > 34 136 P 0.86346612187702 0.52529156687641 0.88488007690123 30.974 > 34 *137 Dy 0.00000000000000 0.35256426142322 0.25000000000000 162.500 > 35 138 Dy 0.00000000000000 0.85256426142322 0.25000000000000 162.500 > 35 139 Dy 0.00000000000000 0.14743573857678 0.75000000000000 162.500 > 36 140 Dy 0.00000000000000 0.64743573857678 0.75000000000000 162.500 > 36 141 Dy 0.50000000000000 0.10256426142322 0.25000000000000 162.500 > 35 142 Dy 0.50000000000000 0.60256426142322 0.25000000000000 162.500 > 35 143 Dy 0.50000000000000 0.39743573857678 0.75000000000000 162.500 > 36 144 Dy 0.50000000000000 0.89743573857678 0.75000000000000 162.500 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7848966 0.0000000 0.0340215 0.0000000 2.7687479 0.0000000 0.0340231 0.0000000 2.7435387 -------------------------- Born effective charges -------------------------- 1 Li 1.1577868 0.0000000 -0.1031001 0.0000000 1.0960065 0.0000000 -0.1273660 0.0000000 1.0682025 2 Li 1.1577868 0.0000000 -0.1031001 0.0000000 1.0960065 0.0000000 -0.1273660 0.0000000 1.0682025 3 O -1.0796197 0.0489707 0.0022128 0.0347744 -1.1120634 0.1345935 0.1598796 0.1466358 -2.4542948 4 O -1.0796197 -0.0489707 0.0022128 -0.0347744 -1.1120634 -0.1345935 0.1598796 -0.1466358 -2.4542948 5 O -1.0796197 0.0489707 0.0022128 0.0347744 -1.1120634 0.1345935 0.1598796 0.1466358 -2.4542948 6 O -1.0796197 -0.0489707 0.0022128 -0.0347744 -1.1120634 -0.1345935 0.1598796 -0.1466358 -2.4542948 7 O -2.1178536 -0.4875208 0.1825067 -0.6049041 -1.7024044 0.1433985 0.2594453 0.1231757 -1.0197216 8 O -2.1178536 0.4875208 0.1825067 0.6049041 -1.7024044 -0.1433985 0.2594453 -0.1231757 -1.0197216 9 O -2.1178536 -0.4875208 0.1825067 -0.6049041 -1.7024044 0.1433985 0.2594453 0.1231757 -1.0197216 10 O -2.1178536 0.4875208 0.1825067 0.6049041 -1.7024044 -0.1433985 0.2594453 -0.1231757 -1.0197216 11 O -1.9971389 -0.6290545 0.3128594 -0.5535052 -1.6564811 0.3350026 0.1568885 0.2876497 -1.0945334 12 O -1.9971389 0.6290545 0.3128594 0.5535052 -1.6564811 -0.3350026 0.1568885 -0.2876497 -1.0945334 13 O -1.9971389 -0.6290545 0.3128594 -0.5535052 -1.6564811 0.3350026 0.1568885 0.2876497 -1.0945334 14 O -1.9971389 0.6290545 0.3128594 0.5535052 -1.6564811 -0.3350026 0.1568885 -0.2876497 -1.0945334 15 O -1.0935434 -0.0004955 -0.1179888 0.0380977 -1.4137472 0.2865589 -0.1265940 0.4281974 -2.1386184 16 O -1.0935434 0.0004955 -0.1179888 -0.0380977 -1.4137472 -0.2865589 -0.1265940 -0.4281974 -2.1386184 17 O -1.0935434 -0.0004955 -0.1179888 0.0380977 -1.4137472 0.2865589 -0.1265940 0.4281974 -2.1386184 18 O -1.0935434 0.0004955 -0.1179888 -0.0380977 -1.4137472 -0.2865589 -0.1265940 -0.4281974 -2.1386184 19 O -2.6253740 0.3649424 -1.0380747 0.6289662 -1.0911178 0.4393527 -1.0347046 0.3396363 -1.5995411 20 O -2.6253740 -0.3649424 -1.0380747 -0.6289662 -1.0911178 -0.4393527 -1.0347046 -0.3396363 -1.5995411 21 O -2.6253740 0.3649424 -1.0380747 0.6289662 -1.0911178 0.4393527 -1.0347046 0.3396363 -1.5995411 22 O -2.6253740 -0.3649424 -1.0380747 -0.6289662 -1.0911178 -0.4393527 -1.0347046 -0.3396363 -1.5995411 23 O -1.0072906 0.1193487 0.0585703 0.2402154 -2.9795197 -0.4053465 0.0496698 -0.2701037 -1.1129103 24 O -1.0072906 -0.1193487 0.0585703 -0.2402154 -2.9795197 0.4053465 0.0496698 0.2701037 -1.1129103 25 O -1.0072906 0.1193487 0.0585703 0.2402154 -2.9795197 -0.4053465 0.0496698 -0.2701037 -1.1129103 26 O -1.0072906 -0.1193487 0.0585703 -0.2402154 -2.9795197 0.4053465 0.0496698 0.2701037 -1.1129103 27 P 3.6048569 -0.0905909 0.7427386 0.1930681 3.8074311 -0.2765378 -0.0654697 -0.2711374 3.4132084 28 P 3.6048569 0.0905909 0.7427386 -0.1930681 3.8074311 0.2765378 -0.0654697 0.2711374 3.4132084 29 P 3.6048569 -0.0905909 0.7427386 0.1930681 3.8074311 -0.2765378 -0.0654697 -0.2711374 3.4132084 30 P 3.6048569 0.0905909 0.7427386 -0.1930681 3.8074311 0.2765378 -0.0654697 0.2711374 3.4132084 31 P 3.7451639 -0.2872581 0.1360036 0.4015547 3.6590061 -0.1471297 0.7884609 0.2927192 3.2586445 32 P 3.7451639 0.2872581 0.1360036 -0.4015547 3.6590061 0.1471297 0.7884609 -0.2927192 3.2586445 33 P 3.7451639 -0.2872581 0.1360036 0.4015547 3.6590061 -0.1471297 0.7884609 0.2927192 3.2586445 34 P 3.7451639 0.2872581 0.1360036 -0.4015547 3.6590061 0.1471297 0.7884609 -0.2927192 3.2586445 35 Dy 3.9838119 0.0000000 -0.4545553 0.0000000 3.8817861 0.0000000 -0.2477858 0.0000000 4.4273310 36 Dy 3.9838119 0.0000000 -0.4545553 0.0000000 3.8817861 0.0000000 -0.2477858 0.0000000 4.4273310 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (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: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (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: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.821 Solver_block: 200 / 1120 - Time: 1.625 Solver_block: 300 / 1120 - Time: 1.619 Solver_block: 400 / 1120 - Time: 1.617 Solver_block: 500 / 1120 - Time: 1.618 Solver_block: 600 / 1120 - Time: 1.618 Solver_block: 700 / 1120 - Time: 1.620 Solver_block: 800 / 1120 - Time: 1.621 Solver_block: 900 / 1120 - Time: 1.624 Solver_block: 1000 / 1120 - Time: 1.623 Solver_block: 1100 / 1120 - Time: 1.617 Solver_block: 1120 / 1120 - Time: 0.507 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.032 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (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: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (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: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:37:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:37:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.115373355159342 -3.505417470000000 0.000000000000000 b 8.115373355159342 3.505417470000000 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): 1 Li 0.79251351106276 0.20748648893724 0.25000000000000 6.941 2 Li 0.20748648893724 0.79251351106276 0.75000000000000 6.941 3 O 0.48823896082523 0.25762924937628 0.47658489110162 15.999 4 O 0.74237075062372 0.51176103917477 0.02341510889838 15.999 5 O 0.51176103917477 0.74237075062372 0.52341510889839 15.999 6 O 0.25762924937628 0.48823896082523 0.97658489110161 15.999 7 O 0.51046875674433 0.35101169970515 0.27617315204324 15.999 8 O 0.64898830029485 0.48953124325567 0.22382684795676 15.999 9 O 0.48953124325567 0.64898830029485 0.72382684795676 15.999 10 O 0.35101169970515 0.51046875674433 0.77617315204324 15.999 11 O 0.67122122920285 0.10438215351989 0.81689329193937 15.999 12 O 0.89561784648011 0.32877877079715 0.68310670806063 15.999 13 O 0.32877877079715 0.89561784648011 0.18310670806063 15.999 14 O 0.10438215351989 0.67122122920285 0.31689329193937 15.999 15 O 0.93480797272069 0.93697123140954 0.07414550538745 15.999 16 O 0.06302876859046 0.06519202727931 0.42585449461255 15.999 17 O 0.06519202727931 0.06302876859046 0.92585449461255 15.999 18 O 0.93697123140954 0.93480797272069 0.57414550538745 15.999 19 O 0.67970428364678 0.83021200679212 0.85134777951533 15.999 20 O 0.16978799320788 0.32029571635322 0.64865222048467 15.999 21 O 0.32029571635323 0.16978799320788 0.14865222048467 15.999 22 O 0.83021200679212 0.67970428364677 0.35134777951533 15.999 23 O 0.97212316036967 0.71724953565284 0.76531482118335 15.999 24 O 0.28275046434716 0.02787683963033 0.73468517881665 15.999 25 O 0.02787683963033 0.28275046434716 0.23468517881665 15.999 26 O 0.71724953565284 0.97212316036967 0.26531482118335 15.999 27 P 0.50180007638729 0.20766807222743 0.30609446426071 30.974 28 P 0.79233192777257 0.49819992361271 0.19390553573929 30.974 29 P 0.49819992361271 0.79233192777257 0.69390553573929 30.974 30 P 0.20766807222743 0.50180007638729 0.80609446426071 30.974 31 P 0.91404925562985 0.81288298812420 0.38488007690123 30.974 32 P 0.18711701187581 0.08595074437015 0.11511992309877 30.974 33 P 0.08595074437015 0.18711701187580 0.61511992309877 30.974 34 P 0.81288298812420 0.91404925562985 0.88488007690123 30.974 35 Dy 0.29487147715356 0.70512852284644 0.25000000000000 162.500 36 Dy 0.70512852284644 0.29487147715356 0.75000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.230746710318684 0.000000000000000 0.000000000000000 b 0.000000000000000 14.021669879999999 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): 1 Li 0.00000000000000 0.10374324446862 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.60374324446862 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.39625675553138 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.89625675553138 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.35374324446862 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.85374324446862 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.14625675553138 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.64625675553138 0.75000000000000 6.941 > 3 9 O 0.87293410510075 0.19234757213776 0.47658489110162 15.999 > 9 10 O 0.87293410510075 0.69234757213776 0.47658489110162 15.999 > 9 11 O 0.62706589489925 0.44234757213776 0.02341510889838 15.999 > 11 12 O 0.62706589489925 0.94234757213776 0.02341510889838 15.999 > 11 13 O 0.12706589489924 0.30765242786224 0.52341510889839 15.999 > 13 14 O 0.12706589489924 0.80765242786224 0.52341510889839 15.999 > 13 15 O 0.37293410510075 0.05765242786224 0.97658489110161 15.999 > 15 16 O 0.37293410510075 0.55765242786224 0.97658489110161 15.999 > 15 17 O 0.93074022822474 0.21013573574020 0.27617315204324 15.999 > 17 18 O 0.93074022822474 0.71013573574020 0.27617315204324 15.999 > 17 19 O 0.06925977177526 0.21013573574020 0.22382684795676 15.999 > 19 20 O 0.06925977177526 0.71013573574020 0.22382684795676 15.999 > 19 21 O 0.06925977177526 0.28986426425980 0.72382684795676 15.999 > 21 22 O 0.06925977177526 0.78986426425980 0.72382684795676 15.999 > 21 23 O 0.93074022822474 0.28986426425980 0.77617315204324 15.999 > 23 24 O 0.93074022822474 0.78986426425980 0.77617315204324 15.999 > 23 25 O 0.38780169136137 0.35829023107926 0.81689329193937 15.999 > 25 26 O 0.38780169136137 0.85829023107926 0.81689329193937 15.999 > 25 27 O 0.11219830863863 0.10829023107926 0.68310670806063 15.999 > 27 28 O 0.11219830863863 0.60829023107926 0.68310670806063 15.999 > 27 29 O 0.61219830863863 0.14170976892074 0.18310670806063 15.999 > 29 30 O 0.61219830863863 0.64170976892074 0.18310670806063 15.999 > 29 31 O 0.88780169136137 0.39170976892074 0.31689329193937 15.999 > 31 32 O 0.88780169136137 0.89170976892074 0.31689329193937 15.999 > 31 33 O 0.93588960206512 0.00054081467221 0.07414550538745 15.999 > 33 34 O 0.93588960206512 0.50054081467221 0.07414550538745 15.999 > 33 35 O 0.06411039793488 0.00054081467221 0.42585449461255 15.999 > 35 36 O 0.06411039793488 0.50054081467221 0.42585449461255 15.999 > 35 37 O 0.06411039793488 0.49945918532779 0.92585449461255 15.999 > 37 38 O 0.06411039793488 0.99945918532779 0.92585449461255 15.999 > 37 39 O 0.93588960206512 0.49945918532779 0.57414550538745 15.999 > 39 40 O 0.93588960206512 0.99945918532779 0.57414550538745 15.999 > 39 41 O 0.25495814521945 0.28762693078634 0.85134777951533 15.999 > 41 42 O 0.25495814521945 0.78762693078634 0.85134777951533 15.999 > 41 43 O 0.24504185478055 0.03762693078634 0.64865222048467 15.999 > 43 44 O 0.24504185478055 0.53762693078634 0.64865222048467 15.999 > 43 45 O 0.74504185478055 0.21237306921366 0.14865222048467 15.999 > 45 46 O 0.74504185478055 0.71237306921366 0.14865222048467 15.999 > 45 47 O 0.75495814521945 0.46237306921366 0.35134777951533 15.999 > 47 48 O 0.75495814521945 0.96237306921366 0.35134777951533 15.999 > 47 49 O 0.34468634801125 0.18628159382079 0.76531482118335 15.999 > 49 50 O 0.34468634801125 0.68628159382079 0.76531482118335 15.999 > 49 51 O 0.15531365198875 0.43628159382079 0.73468517881665 15.999 > 51 52 O 0.15531365198875 0.93628159382079 0.73468517881665 15.999 > 51 53 O 0.65531365198875 0.31371840617921 0.23468517881665 15.999 > 53 54 O 0.65531365198875 0.81371840617921 0.23468517881665 15.999 > 53 55 O 0.84468634801125 0.06371840617921 0.26531482118335 15.999 > 55 56 O 0.84468634801125 0.56371840617921 0.26531482118335 15.999 > 55 57 O 0.37293410510075 0.44234757213776 0.47658489110162 15.999 > 9 58 O 0.37293410510075 0.94234757213776 0.47658489110162 15.999 > 9 59 O 0.12706589489924 0.19234757213776 0.02341510889838 15.999 > 11 60 O 0.12706589489924 0.69234757213776 0.02341510889838 15.999 > 11 61 O 0.62706589489925 0.05765242786224 0.52341510889839 15.999 > 13 62 O 0.62706589489925 0.55765242786224 0.52341510889839 15.999 > 13 63 O 0.87293410510075 0.30765242786224 0.97658489110161 15.999 > 15 64 O 0.87293410510075 0.80765242786224 0.97658489110161 15.999 > 15 65 O 0.43074022822474 0.46013573574020 0.27617315204324 15.999 > 17 66 O 0.43074022822474 0.96013573574020 0.27617315204324 15.999 > 17 67 O 0.56925977177526 0.46013573574020 0.22382684795676 15.999 > 19 68 O 0.56925977177526 0.96013573574020 0.22382684795676 15.999 > 19 69 O 0.56925977177526 0.03986426425980 0.72382684795676 15.999 > 21 70 O 0.56925977177526 0.53986426425980 0.72382684795676 15.999 > 21 71 O 0.43074022822474 0.03986426425980 0.77617315204324 15.999 > 23 72 O 0.43074022822474 0.53986426425980 0.77617315204324 15.999 > 23 73 O 0.88780169136137 0.10829023107926 0.81689329193937 15.999 > 25 74 O 0.88780169136137 0.60829023107926 0.81689329193937 15.999 > 25 75 O 0.61219830863863 0.35829023107926 0.68310670806063 15.999 > 27 76 O 0.61219830863863 0.85829023107926 0.68310670806063 15.999 > 27 77 O 0.11219830863863 0.39170976892074 0.18310670806063 15.999 > 29 78 O 0.11219830863863 0.89170976892074 0.18310670806063 15.999 > 29 79 O 0.38780169136137 0.14170976892074 0.31689329193937 15.999 > 31 80 O 0.38780169136137 0.64170976892074 0.31689329193937 15.999 > 31 81 O 0.43588960206512 0.25054081467221 0.07414550538745 15.999 > 33 82 O 0.43588960206512 0.75054081467221 0.07414550538745 15.999 > 33 83 O 0.56411039793488 0.25054081467221 0.42585449461255 15.999 > 35 84 O 0.56411039793488 0.75054081467221 0.42585449461255 15.999 > 35 85 O 0.56411039793488 0.24945918532779 0.92585449461255 15.999 > 37 86 O 0.56411039793488 0.74945918532779 0.92585449461255 15.999 > 37 87 O 0.43588960206512 0.24945918532779 0.57414550538745 15.999 > 39 88 O 0.43588960206512 0.74945918532779 0.57414550538745 15.999 > 39 89 O 0.75495814521945 0.03762693078634 0.85134777951533 15.999 > 41 90 O 0.75495814521945 0.53762693078634 0.85134777951533 15.999 > 41 91 O 0.74504185478055 0.28762693078634 0.64865222048467 15.999 > 43 92 O 0.74504185478055 0.78762693078634 0.64865222048467 15.999 > 43 93 O 0.24504185478055 0.46237306921366 0.14865222048467 15.999 > 45 94 O 0.24504185478055 0.96237306921366 0.14865222048467 15.999 > 45 95 O 0.25495814521945 0.21237306921366 0.35134777951533 15.999 > 47 96 O 0.25495814521945 0.71237306921366 0.35134777951533 15.999 > 47 97 O 0.84468634801125 0.43628159382079 0.76531482118335 15.999 > 49 98 O 0.84468634801125 0.93628159382079 0.76531482118335 15.999 > 49 99 O 0.65531365198875 0.18628159382079 0.73468517881665 15.999 > 51 100 O 0.65531365198875 0.68628159382079 0.73468517881665 15.999 > 51 101 O 0.15531365198875 0.06371840617921 0.23468517881665 15.999 > 53 102 O 0.15531365198875 0.56371840617921 0.23468517881665 15.999 > 53 103 O 0.34468634801125 0.31371840617921 0.26531482118335 15.999 > 55 104 O 0.34468634801125 0.81371840617921 0.26531482118335 15.999 > 55 105 P 0.85473407430736 0.17646699896003 0.30609446426071 30.974 > 105 106 P 0.85473407430736 0.67646699896003 0.30609446426071 30.974 > 105 107 P 0.64526592569264 0.42646699896003 0.19390553573929 30.974 > 107 108 P 0.64526592569264 0.92646699896003 0.19390553573929 30.974 > 107 109 P 0.14526592569264 0.32353300103997 0.69390553573929 30.974 > 109 110 P 0.14526592569264 0.82353300103997 0.69390553573929 30.974 > 109 111 P 0.35473407430736 0.07353300103997 0.80609446426071 30.974 > 111 112 P 0.35473407430736 0.57353300103997 0.80609446426071 30.974 > 111 113 P 0.86346612187702 0.47470843312359 0.38488007690123 30.974 > 113 114 P 0.86346612187702 0.97470843312359 0.38488007690123 30.974 > 113 115 P 0.63653387812298 0.22470843312359 0.11511992309877 30.974 > 115 116 P 0.63653387812298 0.72470843312359 0.11511992309877 30.974 > 115 117 P 0.13653387812298 0.02529156687641 0.61511992309877 30.974 > 117 118 P 0.13653387812298 0.52529156687641 0.61511992309877 30.974 > 117 119 P 0.36346612187702 0.27529156687641 0.88488007690123 30.974 > 119 120 P 0.36346612187702 0.77529156687641 0.88488007690123 30.974 > 119 121 P 0.35473407430736 0.42646699896003 0.30609446426071 30.974 > 105 122 P 0.35473407430736 0.92646699896003 0.30609446426071 30.974 > 105 123 P 0.14526592569264 0.17646699896003 0.19390553573929 30.974 > 107 124 P 0.14526592569264 0.67646699896003 0.19390553573929 30.974 > 107 125 P 0.64526592569264 0.07353300103997 0.69390553573929 30.974 > 109 126 P 0.64526592569264 0.57353300103997 0.69390553573929 30.974 > 109 127 P 0.85473407430736 0.32353300103997 0.80609446426071 30.974 > 111 128 P 0.85473407430736 0.82353300103997 0.80609446426071 30.974 > 111 129 P 0.36346612187702 0.22470843312359 0.38488007690123 30.974 > 113 130 P 0.36346612187702 0.72470843312359 0.38488007690123 30.974 > 113 131 P 0.13653387812298 0.47470843312359 0.11511992309877 30.974 > 115 132 P 0.13653387812298 0.97470843312359 0.11511992309877 30.974 > 115 133 P 0.63653387812298 0.27529156687641 0.61511992309877 30.974 > 117 134 P 0.63653387812298 0.77529156687641 0.61511992309877 30.974 > 117 135 P 0.86346612187702 0.02529156687641 0.88488007690123 30.974 > 119 136 P 0.86346612187702 0.52529156687641 0.88488007690123 30.974 > 119 137 Dy 0.00000000000000 0.35256426142322 0.25000000000000 162.500 > 137 138 Dy 0.00000000000000 0.85256426142322 0.25000000000000 162.500 > 137 139 Dy 0.00000000000000 0.14743573857678 0.75000000000000 162.500 > 139 140 Dy 0.00000000000000 0.64743573857678 0.75000000000000 162.500 > 139 141 Dy 0.50000000000000 0.10256426142322 0.25000000000000 162.500 > 137 142 Dy 0.50000000000000 0.60256426142322 0.25000000000000 162.500 > 137 143 Dy 0.50000000000000 0.39743573857678 0.75000000000000 162.500 > 139 144 Dy 0.50000000000000 0.89743573857678 0.75000000000000 162.500 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7848966 0.0000000 0.0340215 0.0000000 2.7687479 0.0000000 0.0340231 0.0000000 2.7435387 -------------------------- Born effective charges -------------------------- 1 Li 1.1577868 0.0000000 -0.1031001 0.0000000 1.0960065 0.0000000 -0.1273660 0.0000000 1.0682025 2 Li 1.1577868 0.0000000 -0.1031001 0.0000000 1.0960065 0.0000000 -0.1273660 0.0000000 1.0682025 3 O -1.0796197 0.0489707 0.0022128 0.0347744 -1.1120634 0.1345935 0.1598796 0.1466358 -2.4542948 4 O -1.0796197 -0.0489707 0.0022128 -0.0347744 -1.1120634 -0.1345935 0.1598796 -0.1466358 -2.4542948 5 O -1.0796197 0.0489707 0.0022128 0.0347744 -1.1120634 0.1345935 0.1598796 0.1466358 -2.4542948 6 O -1.0796197 -0.0489707 0.0022128 -0.0347744 -1.1120634 -0.1345935 0.1598796 -0.1466358 -2.4542948 7 O -2.1178536 -0.4875208 0.1825067 -0.6049041 -1.7024044 0.1433985 0.2594453 0.1231757 -1.0197216 8 O -2.1178536 0.4875208 0.1825067 0.6049041 -1.7024044 -0.1433985 0.2594453 -0.1231757 -1.0197216 9 O -2.1178536 -0.4875208 0.1825067 -0.6049041 -1.7024044 0.1433985 0.2594453 0.1231757 -1.0197216 10 O -2.1178536 0.4875208 0.1825067 0.6049041 -1.7024044 -0.1433985 0.2594453 -0.1231757 -1.0197216 11 O -1.9971389 -0.6290545 0.3128594 -0.5535052 -1.6564811 0.3350026 0.1568885 0.2876497 -1.0945334 12 O -1.9971389 0.6290545 0.3128594 0.5535052 -1.6564811 -0.3350026 0.1568885 -0.2876497 -1.0945334 13 O -1.9971389 -0.6290545 0.3128594 -0.5535052 -1.6564811 0.3350026 0.1568885 0.2876497 -1.0945334 14 O -1.9971389 0.6290545 0.3128594 0.5535052 -1.6564811 -0.3350026 0.1568885 -0.2876497 -1.0945334 15 O -1.0935434 -0.0004955 -0.1179888 0.0380977 -1.4137472 0.2865589 -0.1265940 0.4281974 -2.1386184 16 O -1.0935434 0.0004955 -0.1179888 -0.0380977 -1.4137472 -0.2865589 -0.1265940 -0.4281974 -2.1386184 17 O -1.0935434 -0.0004955 -0.1179888 0.0380977 -1.4137472 0.2865589 -0.1265940 0.4281974 -2.1386184 18 O -1.0935434 0.0004955 -0.1179888 -0.0380977 -1.4137472 -0.2865589 -0.1265940 -0.4281974 -2.1386184 19 O -2.6253740 0.3649424 -1.0380747 0.6289662 -1.0911178 0.4393527 -1.0347046 0.3396363 -1.5995411 20 O -2.6253740 -0.3649424 -1.0380747 -0.6289662 -1.0911178 -0.4393527 -1.0347046 -0.3396363 -1.5995411 21 O -2.6253740 0.3649424 -1.0380747 0.6289662 -1.0911178 0.4393527 -1.0347046 0.3396363 -1.5995411 22 O -2.6253740 -0.3649424 -1.0380747 -0.6289662 -1.0911178 -0.4393527 -1.0347046 -0.3396363 -1.5995411 23 O -1.0072906 0.1193487 0.0585703 0.2402154 -2.9795197 -0.4053465 0.0496698 -0.2701037 -1.1129103 24 O -1.0072906 -0.1193487 0.0585703 -0.2402154 -2.9795197 0.4053465 0.0496698 0.2701037 -1.1129103 25 O -1.0072906 0.1193487 0.0585703 0.2402154 -2.9795197 -0.4053465 0.0496698 -0.2701037 -1.1129103 26 O -1.0072906 -0.1193487 0.0585703 -0.2402154 -2.9795197 0.4053465 0.0496698 0.2701037 -1.1129103 27 P 3.6048569 -0.0905909 0.7427386 0.1930681 3.8074311 -0.2765378 -0.0654697 -0.2711374 3.4132084 28 P 3.6048569 0.0905909 0.7427386 -0.1930681 3.8074311 0.2765378 -0.0654697 0.2711374 3.4132084 29 P 3.6048569 -0.0905909 0.7427386 0.1930681 3.8074311 -0.2765378 -0.0654697 -0.2711374 3.4132084 30 P 3.6048569 0.0905909 0.7427386 -0.1930681 3.8074311 0.2765378 -0.0654697 0.2711374 3.4132084 31 P 3.7451639 -0.2872581 0.1360036 0.4015547 3.6590061 -0.1471297 0.7884609 0.2927192 3.2586445 32 P 3.7451639 0.2872581 0.1360036 -0.4015547 3.6590061 0.1471297 0.7884609 -0.2927192 3.2586445 33 P 3.7451639 -0.2872581 0.1360036 0.4015547 3.6590061 -0.1471297 0.7884609 0.2927192 3.2586445 34 P 3.7451639 0.2872581 0.1360036 -0.4015547 3.6590061 0.1471297 0.7884609 -0.2927192 3.2586445 35 Dy 3.9838119 0.0000000 -0.4545553 0.0000000 3.8817861 0.0000000 -0.2477858 0.0000000 4.4273310 36 Dy 3.9838119 0.0000000 -0.4545553 0.0000000 3.8817861 0.0000000 -0.2477858 0.0000000 4.4273310 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 137, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 2026-01-07 21:39:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:39:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.115373355159342 -3.505417470000000 0.000000000000000 b 8.115373355159342 3.505417470000000 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): 1 Li 0.79251351106276 0.20748648893724 0.25000000000000 6.941 2 Li 0.20748648893724 0.79251351106276 0.75000000000000 6.941 3 O 0.48823896082523 0.25762924937628 0.47658489110162 15.999 4 O 0.74237075062372 0.51176103917477 0.02341510889838 15.999 5 O 0.51176103917477 0.74237075062372 0.52341510889839 15.999 6 O 0.25762924937628 0.48823896082523 0.97658489110161 15.999 7 O 0.51046875674433 0.35101169970515 0.27617315204324 15.999 8 O 0.64898830029485 0.48953124325567 0.22382684795676 15.999 9 O 0.48953124325567 0.64898830029485 0.72382684795676 15.999 10 O 0.35101169970515 0.51046875674433 0.77617315204324 15.999 11 O 0.67122122920285 0.10438215351989 0.81689329193937 15.999 12 O 0.89561784648011 0.32877877079715 0.68310670806063 15.999 13 O 0.32877877079715 0.89561784648011 0.18310670806063 15.999 14 O 0.10438215351989 0.67122122920285 0.31689329193937 15.999 15 O 0.93480797272069 0.93697123140954 0.07414550538745 15.999 16 O 0.06302876859046 0.06519202727931 0.42585449461255 15.999 17 O 0.06519202727931 0.06302876859046 0.92585449461255 15.999 18 O 0.93697123140954 0.93480797272069 0.57414550538745 15.999 19 O 0.67970428364678 0.83021200679212 0.85134777951533 15.999 20 O 0.16978799320788 0.32029571635322 0.64865222048467 15.999 21 O 0.32029571635323 0.16978799320788 0.14865222048467 15.999 22 O 0.83021200679212 0.67970428364677 0.35134777951533 15.999 23 O 0.97212316036967 0.71724953565284 0.76531482118335 15.999 24 O 0.28275046434716 0.02787683963033 0.73468517881665 15.999 25 O 0.02787683963033 0.28275046434716 0.23468517881665 15.999 26 O 0.71724953565284 0.97212316036967 0.26531482118335 15.999 27 P 0.50180007638729 0.20766807222743 0.30609446426071 30.974 28 P 0.79233192777257 0.49819992361271 0.19390553573929 30.974 29 P 0.49819992361271 0.79233192777257 0.69390553573929 30.974 30 P 0.20766807222743 0.50180007638729 0.80609446426071 30.974 31 P 0.91404925562985 0.81288298812420 0.38488007690123 30.974 32 P 0.18711701187581 0.08595074437015 0.11511992309877 30.974 33 P 0.08595074437015 0.18711701187580 0.61511992309877 30.974 34 P 0.81288298812420 0.91404925562985 0.88488007690123 30.974 35 Dy 0.29487147715356 0.70512852284644 0.25000000000000 162.500 36 Dy 0.70512852284644 0.29487147715356 0.75000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.230746710318684 0.000000000000000 0.000000000000000 b 0.000000000000000 14.021669879999999 0.000000000000000 c -5.630347677074648 0.000000000000000 7.729506397569119 Atomic positions (fractional): 1 Li 0.00000000000000 0.10374324446862 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.60374324446862 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.39625675553138 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.89625675553138 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.35374324446862 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.85374324446862 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.14625675553138 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.64625675553138 0.75000000000000 6.941 > 3 9 O 0.87293410510075 0.19234757213776 0.47658489110162 15.999 > 9 10 O 0.87293410510075 0.69234757213776 0.47658489110162 15.999 > 9 11 O 0.62706589489925 0.44234757213776 0.02341510889838 15.999 > 11 12 O 0.62706589489925 0.94234757213776 0.02341510889838 15.999 > 11 13 O 0.12706589489924 0.30765242786224 0.52341510889839 15.999 > 13 14 O 0.12706589489924 0.80765242786224 0.52341510889839 15.999 > 13 15 O 0.37293410510075 0.05765242786224 0.97658489110161 15.999 > 15 16 O 0.37293410510075 0.55765242786224 0.97658489110161 15.999 > 15 17 O 0.93074022822474 0.21013573574020 0.27617315204324 15.999 > 17 18 O 0.93074022822474 0.71013573574020 0.27617315204324 15.999 > 17 19 O 0.06925977177526 0.21013573574020 0.22382684795676 15.999 > 19 20 O 0.06925977177526 0.71013573574020 0.22382684795676 15.999 > 19 21 O 0.06925977177526 0.28986426425980 0.72382684795676 15.999 > 21 22 O 0.06925977177526 0.78986426425980 0.72382684795676 15.999 > 21 23 O 0.93074022822474 0.28986426425980 0.77617315204324 15.999 > 23 24 O 0.93074022822474 0.78986426425980 0.77617315204324 15.999 > 23 25 O 0.38780169136137 0.35829023107926 0.81689329193937 15.999 > 25 26 O 0.38780169136137 0.85829023107926 0.81689329193937 15.999 > 25 27 O 0.11219830863863 0.10829023107926 0.68310670806063 15.999 > 27 28 O 0.11219830863863 0.60829023107926 0.68310670806063 15.999 > 27 29 O 0.61219830863863 0.14170976892074 0.18310670806063 15.999 > 29 30 O 0.61219830863863 0.64170976892074 0.18310670806063 15.999 > 29 31 O 0.88780169136137 0.39170976892074 0.31689329193937 15.999 > 31 32 O 0.88780169136137 0.89170976892074 0.31689329193937 15.999 > 31 33 O 0.93588960206512 0.00054081467221 0.07414550538745 15.999 > 33 34 O 0.93588960206512 0.50054081467221 0.07414550538745 15.999 > 33 35 O 0.06411039793488 0.00054081467221 0.42585449461255 15.999 > 35 36 O 0.06411039793488 0.50054081467221 0.42585449461255 15.999 > 35 37 O 0.06411039793488 0.49945918532779 0.92585449461255 15.999 > 37 38 O 0.06411039793488 0.99945918532779 0.92585449461255 15.999 > 37 39 O 0.93588960206512 0.49945918532779 0.57414550538745 15.999 > 39 40 O 0.93588960206512 0.99945918532779 0.57414550538745 15.999 > 39 41 O 0.25495814521945 0.28762693078634 0.85134777951533 15.999 > 41 42 O 0.25495814521945 0.78762693078634 0.85134777951533 15.999 > 41 43 O 0.24504185478055 0.03762693078634 0.64865222048467 15.999 > 43 44 O 0.24504185478055 0.53762693078634 0.64865222048467 15.999 > 43 45 O 0.74504185478055 0.21237306921366 0.14865222048467 15.999 > 45 46 O 0.74504185478055 0.71237306921366 0.14865222048467 15.999 > 45 47 O 0.75495814521945 0.46237306921366 0.35134777951533 15.999 > 47 48 O 0.75495814521945 0.96237306921366 0.35134777951533 15.999 > 47 49 O 0.34468634801125 0.18628159382079 0.76531482118335 15.999 > 49 50 O 0.34468634801125 0.68628159382079 0.76531482118335 15.999 > 49 51 O 0.15531365198875 0.43628159382079 0.73468517881665 15.999 > 51 52 O 0.15531365198875 0.93628159382079 0.73468517881665 15.999 > 51 53 O 0.65531365198875 0.31371840617921 0.23468517881665 15.999 > 53 54 O 0.65531365198875 0.81371840617921 0.23468517881665 15.999 > 53 55 O 0.84468634801125 0.06371840617921 0.26531482118335 15.999 > 55 56 O 0.84468634801125 0.56371840617921 0.26531482118335 15.999 > 55 57 O 0.37293410510075 0.44234757213776 0.47658489110162 15.999 > 9 58 O 0.37293410510075 0.94234757213776 0.47658489110162 15.999 > 9 59 O 0.12706589489924 0.19234757213776 0.02341510889838 15.999 > 11 60 O 0.12706589489924 0.69234757213776 0.02341510889838 15.999 > 11 61 O 0.62706589489925 0.05765242786224 0.52341510889839 15.999 > 13 62 O 0.62706589489925 0.55765242786224 0.52341510889839 15.999 > 13 63 O 0.87293410510075 0.30765242786224 0.97658489110161 15.999 > 15 64 O 0.87293410510075 0.80765242786224 0.97658489110161 15.999 > 15 65 O 0.43074022822474 0.46013573574020 0.27617315204324 15.999 > 17 66 O 0.43074022822474 0.96013573574020 0.27617315204324 15.999 > 17 67 O 0.56925977177526 0.46013573574020 0.22382684795676 15.999 > 19 68 O 0.56925977177526 0.96013573574020 0.22382684795676 15.999 > 19 69 O 0.56925977177526 0.03986426425980 0.72382684795676 15.999 > 21 70 O 0.56925977177526 0.53986426425980 0.72382684795676 15.999 > 21 71 O 0.43074022822474 0.03986426425980 0.77617315204324 15.999 > 23 72 O 0.43074022822474 0.53986426425980 0.77617315204324 15.999 > 23 73 O 0.88780169136137 0.10829023107926 0.81689329193937 15.999 > 25 74 O 0.88780169136137 0.60829023107926 0.81689329193937 15.999 > 25 75 O 0.61219830863863 0.35829023107926 0.68310670806063 15.999 > 27 76 O 0.61219830863863 0.85829023107926 0.68310670806063 15.999 > 27 77 O 0.11219830863863 0.39170976892074 0.18310670806063 15.999 > 29 78 O 0.11219830863863 0.89170976892074 0.18310670806063 15.999 > 29 79 O 0.38780169136137 0.14170976892074 0.31689329193937 15.999 > 31 80 O 0.38780169136137 0.64170976892074 0.31689329193937 15.999 > 31 81 O 0.43588960206512 0.25054081467221 0.07414550538745 15.999 > 33 82 O 0.43588960206512 0.75054081467221 0.07414550538745 15.999 > 33 83 O 0.56411039793488 0.25054081467221 0.42585449461255 15.999 > 35 84 O 0.56411039793488 0.75054081467221 0.42585449461255 15.999 > 35 85 O 0.56411039793488 0.24945918532779 0.92585449461255 15.999 > 37 86 O 0.56411039793488 0.74945918532779 0.92585449461255 15.999 > 37 87 O 0.43588960206512 0.24945918532779 0.57414550538745 15.999 > 39 88 O 0.43588960206512 0.74945918532779 0.57414550538745 15.999 > 39 89 O 0.75495814521945 0.03762693078634 0.85134777951533 15.999 > 41 90 O 0.75495814521945 0.53762693078634 0.85134777951533 15.999 > 41 91 O 0.74504185478055 0.28762693078634 0.64865222048467 15.999 > 43 92 O 0.74504185478055 0.78762693078634 0.64865222048467 15.999 > 43 93 O 0.24504185478055 0.46237306921366 0.14865222048467 15.999 > 45 94 O 0.24504185478055 0.96237306921366 0.14865222048467 15.999 > 45 95 O 0.25495814521945 0.21237306921366 0.35134777951533 15.999 > 47 96 O 0.25495814521945 0.71237306921366 0.35134777951533 15.999 > 47 97 O 0.84468634801125 0.43628159382079 0.76531482118335 15.999 > 49 98 O 0.84468634801125 0.93628159382079 0.76531482118335 15.999 > 49 99 O 0.65531365198875 0.18628159382079 0.73468517881665 15.999 > 51 100 O 0.65531365198875 0.68628159382079 0.73468517881665 15.999 > 51 101 O 0.15531365198875 0.06371840617921 0.23468517881665 15.999 > 53 102 O 0.15531365198875 0.56371840617921 0.23468517881665 15.999 > 53 103 O 0.34468634801125 0.31371840617921 0.26531482118335 15.999 > 55 104 O 0.34468634801125 0.81371840617921 0.26531482118335 15.999 > 55 105 P 0.85473407430736 0.17646699896003 0.30609446426071 30.974 > 105 106 P 0.85473407430736 0.67646699896003 0.30609446426071 30.974 > 105 107 P 0.64526592569264 0.42646699896003 0.19390553573929 30.974 > 107 108 P 0.64526592569264 0.92646699896003 0.19390553573929 30.974 > 107 109 P 0.14526592569264 0.32353300103997 0.69390553573929 30.974 > 109 110 P 0.14526592569264 0.82353300103997 0.69390553573929 30.974 > 109 111 P 0.35473407430736 0.07353300103997 0.80609446426071 30.974 > 111 112 P 0.35473407430736 0.57353300103997 0.80609446426071 30.974 > 111 113 P 0.86346612187702 0.47470843312359 0.38488007690123 30.974 > 113 114 P 0.86346612187702 0.97470843312359 0.38488007690123 30.974 > 113 115 P 0.63653387812298 0.22470843312359 0.11511992309877 30.974 > 115 116 P 0.63653387812298 0.72470843312359 0.11511992309877 30.974 > 115 117 P 0.13653387812298 0.02529156687641 0.61511992309877 30.974 > 117 118 P 0.13653387812298 0.52529156687641 0.61511992309877 30.974 > 117 119 P 0.36346612187702 0.27529156687641 0.88488007690123 30.974 > 119 120 P 0.36346612187702 0.77529156687641 0.88488007690123 30.974 > 119 121 P 0.35473407430736 0.42646699896003 0.30609446426071 30.974 > 105 122 P 0.35473407430736 0.92646699896003 0.30609446426071 30.974 > 105 123 P 0.14526592569264 0.17646699896003 0.19390553573929 30.974 > 107 124 P 0.14526592569264 0.67646699896003 0.19390553573929 30.974 > 107 125 P 0.64526592569264 0.07353300103997 0.69390553573929 30.974 > 109 126 P 0.64526592569264 0.57353300103997 0.69390553573929 30.974 > 109 127 P 0.85473407430736 0.32353300103997 0.80609446426071 30.974 > 111 128 P 0.85473407430736 0.82353300103997 0.80609446426071 30.974 > 111 129 P 0.36346612187702 0.22470843312359 0.38488007690123 30.974 > 113 130 P 0.36346612187702 0.72470843312359 0.38488007690123 30.974 > 113 131 P 0.13653387812298 0.47470843312359 0.11511992309877 30.974 > 115 132 P 0.13653387812298 0.97470843312359 0.11511992309877 30.974 > 115 133 P 0.63653387812298 0.27529156687641 0.61511992309877 30.974 > 117 134 P 0.63653387812298 0.77529156687641 0.61511992309877 30.974 > 117 135 P 0.86346612187702 0.02529156687641 0.88488007690123 30.974 > 119 136 P 0.86346612187702 0.52529156687641 0.88488007690123 30.974 > 119 137 Dy 0.00000000000000 0.35256426142322 0.25000000000000 162.500 > 137 138 Dy 0.00000000000000 0.85256426142322 0.25000000000000 162.500 > 137 139 Dy 0.00000000000000 0.14743573857678 0.75000000000000 162.500 > 139 140 Dy 0.00000000000000 0.64743573857678 0.75000000000000 162.500 > 139 141 Dy 0.50000000000000 0.10256426142322 0.25000000000000 162.500 > 137 142 Dy 0.50000000000000 0.60256426142322 0.25000000000000 162.500 > 137 143 Dy 0.50000000000000 0.39743573857678 0.75000000000000 162.500 > 139 144 Dy 0.50000000000000 0.89743573857678 0.75000000000000 162.500 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7848966 0.0000000 0.0340215 0.0000000 2.7687479 0.0000000 0.0340231 0.0000000 2.7435387 -------------------------- Born effective charges -------------------------- 1 Li 1.1577868 0.0000000 -0.1031001 0.0000000 1.0960065 0.0000000 -0.1273660 0.0000000 1.0682025 2 Li 1.1577868 0.0000000 -0.1031001 0.0000000 1.0960065 0.0000000 -0.1273660 0.0000000 1.0682025 3 O -1.0796197 0.0489707 0.0022128 0.0347744 -1.1120634 0.1345935 0.1598796 0.1466358 -2.4542948 4 O -1.0796197 -0.0489707 0.0022128 -0.0347744 -1.1120634 -0.1345935 0.1598796 -0.1466358 -2.4542948 5 O -1.0796197 0.0489707 0.0022128 0.0347744 -1.1120634 0.1345935 0.1598796 0.1466358 -2.4542948 6 O -1.0796197 -0.0489707 0.0022128 -0.0347744 -1.1120634 -0.1345935 0.1598796 -0.1466358 -2.4542948 7 O -2.1178536 -0.4875208 0.1825067 -0.6049041 -1.7024044 0.1433985 0.2594453 0.1231757 -1.0197216 8 O -2.1178536 0.4875208 0.1825067 0.6049041 -1.7024044 -0.1433985 0.2594453 -0.1231757 -1.0197216 9 O -2.1178536 -0.4875208 0.1825067 -0.6049041 -1.7024044 0.1433985 0.2594453 0.1231757 -1.0197216 10 O -2.1178536 0.4875208 0.1825067 0.6049041 -1.7024044 -0.1433985 0.2594453 -0.1231757 -1.0197216 11 O -1.9971389 -0.6290545 0.3128594 -0.5535052 -1.6564811 0.3350026 0.1568885 0.2876497 -1.0945334 12 O -1.9971389 0.6290545 0.3128594 0.5535052 -1.6564811 -0.3350026 0.1568885 -0.2876497 -1.0945334 13 O -1.9971389 -0.6290545 0.3128594 -0.5535052 -1.6564811 0.3350026 0.1568885 0.2876497 -1.0945334 14 O -1.9971389 0.6290545 0.3128594 0.5535052 -1.6564811 -0.3350026 0.1568885 -0.2876497 -1.0945334 15 O -1.0935434 -0.0004955 -0.1179888 0.0380977 -1.4137472 0.2865589 -0.1265940 0.4281974 -2.1386184 16 O -1.0935434 0.0004955 -0.1179888 -0.0380977 -1.4137472 -0.2865589 -0.1265940 -0.4281974 -2.1386184 17 O -1.0935434 -0.0004955 -0.1179888 0.0380977 -1.4137472 0.2865589 -0.1265940 0.4281974 -2.1386184 18 O -1.0935434 0.0004955 -0.1179888 -0.0380977 -1.4137472 -0.2865589 -0.1265940 -0.4281974 -2.1386184 19 O -2.6253740 0.3649424 -1.0380747 0.6289662 -1.0911178 0.4393527 -1.0347046 0.3396363 -1.5995411 20 O -2.6253740 -0.3649424 -1.0380747 -0.6289662 -1.0911178 -0.4393527 -1.0347046 -0.3396363 -1.5995411 21 O -2.6253740 0.3649424 -1.0380747 0.6289662 -1.0911178 0.4393527 -1.0347046 0.3396363 -1.5995411 22 O -2.6253740 -0.3649424 -1.0380747 -0.6289662 -1.0911178 -0.4393527 -1.0347046 -0.3396363 -1.5995411 23 O -1.0072906 0.1193487 0.0585703 0.2402154 -2.9795197 -0.4053465 0.0496698 -0.2701037 -1.1129103 24 O -1.0072906 -0.1193487 0.0585703 -0.2402154 -2.9795197 0.4053465 0.0496698 0.2701037 -1.1129103 25 O -1.0072906 0.1193487 0.0585703 0.2402154 -2.9795197 -0.4053465 0.0496698 -0.2701037 -1.1129103 26 O -1.0072906 -0.1193487 0.0585703 -0.2402154 -2.9795197 0.4053465 0.0496698 0.2701037 -1.1129103 27 P 3.6048569 -0.0905909 0.7427386 0.1930681 3.8074311 -0.2765378 -0.0654697 -0.2711374 3.4132084 28 P 3.6048569 0.0905909 0.7427386 -0.1930681 3.8074311 0.2765378 -0.0654697 0.2711374 3.4132084 29 P 3.6048569 -0.0905909 0.7427386 0.1930681 3.8074311 -0.2765378 -0.0654697 -0.2711374 3.4132084 30 P 3.6048569 0.0905909 0.7427386 -0.1930681 3.8074311 0.2765378 -0.0654697 0.2711374 3.4132084 31 P 3.7451639 -0.2872581 0.1360036 0.4015547 3.6590061 -0.1471297 0.7884609 0.2927192 3.2586445 32 P 3.7451639 0.2872581 0.1360036 -0.4015547 3.6590061 0.1471297 0.7884609 -0.2927192 3.2586445 33 P 3.7451639 -0.2872581 0.1360036 0.4015547 3.6590061 -0.1471297 0.7884609 0.2927192 3.2586445 34 P 3.7451639 0.2872581 0.1360036 -0.4015547 3.6590061 0.1471297 0.7884609 -0.2927192 3.2586445 35 Dy 3.9838119 0.0000000 -0.4545553 0.0000000 3.8817861 0.0000000 -0.2477858 0.0000000 4.4273310 36 Dy 3.9838119 0.0000000 -0.4545553 0.0000000 3.8817861 0.0000000 -0.2477858 0.0000000 4.4273310 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] 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: 0.55, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 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 2.059 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.352 ( 0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 11.241 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.318 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.522 ( 0.000 0.000 0.000) 0.000 12.953 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.122 ( 0.000 0.000 0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.625 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 15.085 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.531 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.158 ( 0.000 0.000 0.000) 0.000 17.247 ( 0.000 0.000 0.000) 0.000 19.710 ( 0.000 0.000 0.000) 0.000 20.157 ( 0.000 0.000 0.000) 0.000 20.878 ( 0.000 0.000 0.000) 0.000 20.991 ( 0.000 0.000 0.000) 0.000 21.876 ( 0.000 0.000 0.000) 0.000 22.311 ( 0.000 0.000 0.000) 0.000 23.195 ( 0.000 0.000 0.000) 0.000 23.532 ( 0.000 0.000 0.000) 0.000 26.958 ( 0.000 0.000 0.000) 0.000 26.974 ( 0.000 0.000 0.000) 0.000 29.300 ( 0.000 0.000 0.000) 0.000 29.424 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.735 ( 0.000 0.000 0.000) 0.000 30.893 ( 0.000 0.000 0.000) 0.000 30.932 ( 0.000 0.000 0.000) 0.000 31.493 ( 0.000 0.000 0.000) 0.000 31.713 ( 0.000 0.000 0.000) 0.000 31.886 ( 0.000 0.000 0.000) 0.000 32.021 ( 0.000 0.000 0.000) 0.000 32.461 ( 0.000 0.000 0.000) 0.000 32.666 ( 0.000 0.000 0.000) 0.000 33.598 ( 0.000 0.000 0.000) 0.000 34.119 ( 0.000 0.000 0.000) 0.000 35.311 ( 0.000 0.000 0.000) 0.000 35.416 ( 0.000 0.000 0.000) 0.000 35.532 ( 0.000 0.000 0.000) 0.000 36.120 ( 0.000 0.000 0.000) 0.000 36.123 ( 0.000 0.000 0.000) 0.000 36.198 ( 0.000 0.000 0.000) 0.000 36.495 ( 0.000 0.000 0.000) 0.000 38.421 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 13.356 -22.088 14.128) 29.425 0.713 ( 23.347 -23.527 19.052) 38.231 1.113 ( 18.028 -49.923 5.753) 53.389 2.166 ( 6.035 -4.688 8.101) 11.137 2.443 ( 2.801 -14.439 -2.385) 14.900 2.693 ( 0.443 6.032 0.928) 6.119 2.792 ( 0.402 8.015 0.513) 8.042 3.147 ( -1.104 11.903 -0.429) 11.961 3.492 ( 3.752 -0.374 1.063) 3.917 3.580 ( -5.346 2.060 0.862) 5.793 3.635 ( 3.449 0.802 -0.544) 3.583 3.831 ( -7.167 -1.084 -9.484) 11.936 3.918 ( -4.824 0.135 1.352) 5.012 4.038 ( -2.839 -1.315 5.833) 6.619 4.309 ( -2.245 5.597 -5.688) 8.290 4.447 ( -5.018 -4.658 2.911) 7.440 4.597 ( -9.439 -4.206 -3.705) 10.978 4.844 ( 4.057 1.859 -2.262) 5.003 4.961 ( 5.942 -10.272 4.235) 12.600 5.056 ( -1.677 -5.945 -9.451) 11.291 5.270 ( 1.601 -1.578 5.171) 5.638 5.358 ( -6.604 1.204 -4.835) 8.273 5.386 ( 2.582 -3.501 0.816) 4.426 5.564 ( -7.679 5.585 -4.582) 10.543 5.831 ( 0.523 4.728 2.360) 5.310 5.897 ( 7.425 3.804 3.262) 8.958 5.913 ( 2.798 1.480 -3.692) 4.863 6.338 ( 1.578 -2.268 1.178) 3.003 6.525 ( -0.715 4.838 -1.511) 5.119 6.664 ( -3.044 -2.218 -4.782) 6.087 7.675 ( 5.389 -0.255 7.586) 9.309 8.016 ( -7.863 2.879 -4.174) 9.356 8.221 ( 1.902 7.440 5.214) 9.282 8.427 ( -1.413 -2.685 2.481) 3.920 8.856 ( 11.889 3.346 0.938) 12.386 9.013 ( 2.297 -2.539 0.415) 3.449 9.132 ( 0.805 -1.782 0.957) 2.178 9.234 ( 1.098 -2.582 0.695) 2.891 9.379 ( 2.824 0.396 0.945) 3.004 9.666 ( -0.858 -0.520 -5.703) 5.791 9.778 ( -0.468 0.165 -4.996) 5.021 9.890 ( 9.657 2.656 11.923) 15.571 10.012 ( 0.415 0.222 6.251) 6.269 10.335 ( -5.592 4.086 1.442) 7.074 10.405 ( 3.771 1.909 1.885) 4.628 10.982 ( -2.300 10.703 -3.427) 11.471 11.159 ( -1.925 3.300 -4.097) 5.602 11.238 ( -0.745 1.772 0.787) 2.077 11.385 ( -2.663 -3.529 -1.911) 4.816 11.481 ( 10.524 1.989 2.203) 10.935 11.623 ( 2.479 2.389 1.388) 3.712 11.685 ( 3.331 -1.532 -1.265) 3.878 12.080 ( -3.211 -1.527 -0.245) 3.564 12.343 ( 4.805 3.039 4.016) 6.961 12.503 ( 0.370 2.497 0.832) 2.658 12.662 ( 0.594 -4.185 1.683) 4.550 12.908 ( -0.405 4.461 0.496) 4.507 13.107 ( 1.241 4.716 -0.079) 4.877 13.155 ( -0.564 -2.735 1.550) 3.194 13.557 ( -1.417 -1.852 -0.056) 2.332 13.603 ( -0.468 4.931 -1.422) 5.153 13.806 ( -3.461 -6.535 -3.822) 8.324 14.276 ( 14.483 11.108 7.423) 19.704 14.574 ( 0.031 0.802 -0.082) 0.807 14.726 ( 0.205 -8.819 0.590) 8.841 15.173 ( -3.846 -8.007 -2.653) 9.270 15.298 ( 5.360 -10.242 2.312) 11.788 15.549 ( -6.106 -9.092 -2.970) 11.348 16.032 ( -7.375 7.776 -0.491) 10.729 16.205 ( 5.710 9.139 -1.807) 10.927 16.669 ( -1.121 6.086 -0.985) 6.267 16.977 ( -1.616 -3.069 -1.637) 3.836 17.188 ( -3.587 -2.825 -2.068) 5.012 17.205 ( -2.014 -4.630 -0.326) 5.060 17.229 ( 0.348 -2.819 -3.261) 4.325 17.491 ( -20.503 -12.074 -12.525) 26.889 19.766 ( 0.358 -3.290 2.616) 4.219 20.194 ( -2.462 -5.050 -0.157) 5.621 20.772 ( 0.005 9.585 1.176) 9.657 20.989 ( 0.190 2.612 -0.089) 2.621 21.949 ( 6.073 -5.613 -3.804) 9.102 22.395 ( 0.754 -8.280 0.282) 8.319 23.138 ( -2.947 4.249 -2.134) 5.594 23.545 ( -2.451 3.957 -2.122) 5.115 27.044 ( 0.081 -9.545 0.030) 9.546 28.133 ( -62.216 -45.219 -50.463) 91.990 29.215 ( 1.034 14.123 6.253) 15.479 29.331 ( 1.064 11.637 0.746) 11.710 30.766 ( 6.346 3.275 13.175) 14.985 30.833 ( 6.298 -2.327 -1.711) 6.929 30.951 ( -0.887 -2.713 -0.014) 2.854 31.116 ( 24.074 7.941 15.087) 29.500 31.750 ( -1.628 -2.922 -1.205) 3.556 31.784 ( 2.551 7.348 -2.109) 8.059 31.928 ( 0.205 9.329 1.764) 9.496 32.342 ( 5.194 -8.925 -8.578) 13.424 32.767 ( 2.816 -8.669 0.001) 9.115 32.967 ( 40.579 33.469 58.722) 78.835 33.571 ( -1.231 2.757 -0.641) 3.087 34.079 ( 0.261 4.192 -1.181) 4.363 35.319 ( -0.013 -0.667 0.551) 0.865 35.428 ( -0.128 -1.342 -0.143) 1.356 35.541 ( -0.762 -1.002 0.981) 1.596 36.113 ( -4.335 0.178 4.337) 6.135 36.198 ( 4.562 0.425 -4.853) 6.674 36.463 ( -2.398 1.994 -1.525) 3.472 37.093 ( -15.284 -18.225 -19.623) 30.836 38.398 ( 3.648 6.442 1.738) 7.604 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 12.512 -22.604 14.177) 29.470 1.400 ( 19.902 -22.447 18.581) 35.288 2.005 ( 6.884 -30.398 -0.753) 31.177 2.323 ( 5.116 -5.118 5.682) 9.200 2.588 ( -7.268 -0.634 3.698) 8.179 2.734 ( 6.159 -8.374 5.409) 11.718 2.884 ( 6.413 -14.749 2.594) 16.290 2.984 ( 6.221 3.095 1.084) 7.032 3.480 ( 1.390 7.166 -1.454) 7.443 3.546 ( 5.488 -0.154 0.411) 5.506 3.661 ( 1.420 -1.548 -1.820) 2.780 3.715 ( -2.810 2.783 -7.766) 8.715 3.845 ( -5.747 3.975 0.499) 7.005 4.010 ( -5.265 3.922 0.734) 6.606 4.188 ( -1.859 2.604 -3.246) 4.558 4.427 ( -5.986 1.334 -4.066) 7.359 4.554 ( -9.719 -0.060 -1.447) 9.827 4.791 ( -0.137 2.501 0.138) 2.509 4.968 ( -2.330 5.132 -4.999) 7.533 5.123 ( -4.104 0.718 -2.704) 4.967 5.290 ( -4.100 -2.235 -0.929) 4.760 5.381 ( -1.655 -4.262 -3.092) 5.520 5.450 ( -1.283 -6.417 0.728) 6.584 5.595 ( 9.163 -6.130 2.614) 11.329 5.750 ( 0.776 4.492 1.888) 4.934 5.833 ( 1.368 5.835 -3.643) 7.013 5.882 ( 3.523 5.262 6.755) 9.259 6.389 ( -0.433 3.899 -2.736) 4.783 6.413 ( -0.503 -0.471 0.505) 0.855 6.624 ( -4.881 -0.793 -7.999) 9.404 7.777 ( 4.517 -0.145 7.196) 8.497 7.901 ( -1.422 1.960 -0.137) 2.425 8.151 ( -0.245 2.935 1.398) 3.261 8.459 ( -1.514 -1.414 1.917) 2.822 8.887 ( 2.038 0.697 -1.019) 2.382 9.076 ( 5.512 -0.009 0.958) 5.595 9.155 ( -1.079 0.972 1.048) 1.791 9.312 ( 3.736 -4.995 3.879) 7.345 9.400 ( 3.115 0.306 -0.036) 3.130 9.614 ( -0.648 3.219 -5.823) 6.685 9.788 ( -0.493 -1.345 0.862) 1.672 9.919 ( -1.676 -2.795 2.605) 4.172 10.100 ( -0.375 1.812 0.523) 1.923 10.196 ( 1.415 3.172 1.563) 3.809 10.423 ( 3.063 0.860 2.814) 4.247 10.770 ( -1.870 9.229 -1.470) 9.531 11.039 ( -1.802 5.134 -2.540) 6.005 11.213 ( -1.335 0.032 2.412) 2.756 11.381 ( -2.867 -0.651 -1.168) 3.163 11.539 ( 11.191 4.468 2.759) 12.362 11.614 ( 1.487 -0.062 1.155) 1.884 11.753 ( 2.668 -5.112 -3.775) 6.891 12.164 ( -2.337 -9.867 0.069) 10.140 12.340 ( 3.327 2.907 2.837) 5.251 12.445 ( 0.319 4.947 1.887) 5.304 12.691 ( -3.686 1.253 -2.355) 4.550 12.816 ( 1.456 6.728 1.813) 7.119 12.959 ( -4.339 7.091 -7.498) 11.195 13.203 ( -0.321 -0.991 3.964) 4.099 13.546 ( 3.040 -1.957 -0.482) 3.648 13.606 ( -1.558 -1.955 0.072) 2.500 13.867 ( -3.436 -6.156 -5.595) 9.001 14.263 ( 13.477 8.090 9.033) 18.129 14.594 ( 0.068 -2.857 1.038) 3.041 14.906 ( 2.135 -8.922 0.997) 9.228 15.266 ( -5.768 -8.614 -4.486) 11.296 15.483 ( -3.197 -4.025 -3.638) 6.298 15.691 ( -1.962 -10.201 0.984) 10.435 15.888 ( -0.205 3.497 1.905) 3.987 16.051 ( 3.946 6.798 0.152) 7.862 16.515 ( -0.848 8.494 -1.449) 8.658 17.029 ( -2.370 -5.608 -3.310) 6.930 17.102 ( -10.706 0.522 -7.036) 12.821 17.271 ( 0.353 -3.826 -3.540) 5.224 17.331 ( 3.848 -3.425 2.911) 5.917 17.469 ( -6.829 -1.104 0.956) 6.983 19.871 ( 0.687 -5.639 4.155) 7.038 20.287 ( -3.872 -8.098 -0.397) 8.985 20.590 ( 0.425 11.362 1.014) 11.415 20.888 ( 0.231 8.218 0.204) 8.224 22.127 ( 4.619 -11.069 -2.593) 12.271 22.590 ( 0.802 -11.915 0.384) 11.948 22.991 ( -3.775 7.170 -2.850) 8.590 23.410 ( -1.015 8.243 -0.899) 8.354 27.290 ( 0.578 -17.195 0.755) 17.221 28.194 ( -28.018 -23.704 -23.368) 43.508 28.963 ( 2.608 18.549 2.935) 18.960 29.059 ( 0.821 18.980 2.910) 19.219 30.836 ( 1.369 -2.078 3.398) 4.212 30.932 ( -3.251 -8.014 -2.569) 9.022 31.018 ( -1.715 -6.253 -0.832) 6.537 31.264 ( 9.696 -2.311 6.053) 11.661 31.607 ( -2.806 7.241 -1.574) 7.923 31.744 ( 0.984 10.636 0.610) 10.699 31.856 ( 5.495 -2.478 0.924) 6.099 32.498 ( 7.389 -5.438 -0.502) 9.189 32.963 ( 9.114 -3.538 7.479) 12.309 33.041 ( 8.869 2.772 18.616) 20.806 33.485 ( -2.299 4.476 -1.081) 5.146 33.964 ( 0.308 7.771 -2.332) 8.119 35.339 ( 0.051 -1.056 0.851) 1.358 35.457 ( 0.301 -2.025 -0.882) 2.230 35.564 ( -1.012 -1.493 1.349) 2.252 36.102 ( -4.898 -0.091 5.301) 7.219 36.198 ( 5.259 0.570 -5.580) 7.689 36.380 ( -3.550 3.071 -2.392) 5.268 37.226 ( -9.785 -16.161 -9.118) 20.977 38.285 ( 6.449 12.067 3.324) 14.080 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 10.039 -21.005 12.854) 26.593 1.989 ( 14.515 -15.925 15.633) 26.621 2.232 ( -1.805 -5.744 -4.435) 7.478 2.528 ( -0.111 -4.569 4.721) 6.571 2.637 ( -5.130 -7.730 -1.610) 9.416 2.800 ( -1.889 0.592 4.392) 4.817 3.201 ( 13.141 -13.061 0.946) 18.552 3.302 ( 2.455 -1.027 -1.931) 3.288 3.337 ( 3.004 -0.186 4.005) 5.010 3.503 ( -1.746 0.208 1.265) 2.166 3.629 ( 1.053 6.843 0.631) 6.952 3.725 ( 3.253 0.816 -1.800) 3.806 3.777 ( 3.544 -4.657 -3.488) 6.813 3.888 ( 0.841 1.805 -8.644) 8.871 4.080 ( -8.470 4.165 -0.992) 9.491 4.361 ( -6.750 0.070 0.361) 6.760 4.420 ( -3.930 3.476 -1.383) 5.426 4.780 ( -0.826 0.980 -0.512) 1.380 4.860 ( -3.419 -0.741 -2.840) 4.506 5.046 ( 4.953 3.292 -2.203) 6.342 5.242 ( -1.290 2.140 -1.096) 2.728 5.403 ( -6.643 0.359 -5.570) 8.676 5.512 ( -6.229 2.356 -0.945) 6.726 5.609 ( 1.245 4.669 1.787) 5.152 5.706 ( 6.635 0.217 3.072) 7.314 5.856 ( -3.669 -1.354 4.146) 5.699 5.919 ( 9.067 -2.900 5.257) 10.874 6.247 ( -1.632 5.477 -4.012) 6.983 6.442 ( -6.341 -1.613 -1.569) 6.729 6.555 ( -0.619 -0.135 -5.782) 5.817 7.800 ( 0.674 -0.257 1.936) 2.066 7.952 ( 6.196 0.541 8.406) 10.457 8.126 ( -0.834 -0.121 -1.213) 1.477 8.444 ( -5.178 0.662 -4.681) 7.012 8.892 ( -0.790 -3.065 1.111) 3.355 9.105 ( 3.342 1.759 0.915) 3.886 9.117 ( -1.057 2.354 1.616) 3.045 9.398 ( 0.397 1.395 -0.009) 1.451 9.474 ( 8.937 -3.128 3.096) 9.962 9.540 ( -2.187 -1.319 -4.936) 5.558 9.761 ( -5.113 1.417 3.168) 6.180 9.891 ( -3.072 11.437 -0.236) 11.845 10.067 ( 4.776 -9.329 -0.632) 10.500 10.289 ( 3.468 -3.217 -0.172) 4.734 10.411 ( -1.763 3.100 -0.724) 3.639 10.634 ( 1.151 4.880 1.211) 5.158 10.947 ( -0.376 2.997 -0.788) 3.122 11.253 ( -0.510 -2.790 4.163) 5.038 11.356 ( -1.078 1.135 0.085) 1.568 11.539 ( 5.324 2.693 0.303) 5.974 11.653 ( 2.858 -0.263 2.096) 3.554 11.870 ( 3.541 -6.895 -3.652) 8.568 12.297 ( -0.996 -2.294 0.243) 2.513 12.325 ( 1.716 3.425 1.023) 3.965 12.415 ( -4.055 -6.747 1.603) 8.033 12.558 ( -5.838 4.260 -4.250) 8.384 12.695 ( 1.314 9.173 0.566) 9.284 12.772 ( -1.788 6.495 -3.869) 7.769 13.231 ( 0.337 -0.166 2.136) 2.168 13.578 ( -2.098 -0.518 -1.456) 2.606 13.706 ( 5.556 -5.991 1.362) 8.283 13.915 ( -0.939 -5.041 -4.473) 6.805 14.263 ( 7.610 7.039 7.885) 13.025 14.660 ( -1.830 -2.857 1.434) 3.683 15.053 ( -0.249 -5.649 -0.584) 5.685 15.306 ( -4.413 -4.276 -4.551) 7.646 15.464 ( -1.847 -1.921 -0.911) 2.816 15.643 ( -0.270 10.839 -3.286) 11.330 15.961 ( -0.815 -9.321 -0.303) 9.361 16.155 ( 5.083 -4.108 7.591) 10.017 16.385 ( 2.496 3.301 -0.058) 4.140 16.925 ( -10.308 3.968 -8.727) 14.077 17.109 ( -1.601 -5.320 -0.653) 5.594 17.290 ( 0.919 0.486 -2.470) 2.680 17.415 ( 2.610 -1.466 1.944) 3.570 17.449 ( -3.253 -0.201 2.279) 3.977 20.018 ( -0.181 -8.035 3.654) 8.828 20.386 ( 2.866 8.041 -4.332) 9.573 20.417 ( -6.064 -5.836 3.781) 9.227 20.728 ( 1.366 9.888 0.015) 9.982 22.358 ( 3.473 -12.014 -1.424) 12.587 22.782 ( -4.614 1.195 0.232) 4.772 22.840 ( 1.849 -4.666 -2.048) 5.421 23.237 ( -0.173 10.244 -0.023) 10.245 27.660 ( 1.436 -22.040 1.854) 22.164 28.276 ( -14.305 -14.605 -12.846) 24.144 28.596 ( -2.050 22.307 -1.216) 22.434 28.791 ( 4.795 15.299 5.528) 16.959 30.903 ( -1.205 -4.586 -0.607) 4.780 31.000 ( -2.094 -2.308 -0.432) 3.146 31.134 ( -1.004 -8.056 -1.355) 8.231 31.378 ( 2.964 -0.631 2.570) 3.973 31.479 ( -1.360 3.549 -0.186) 3.805 31.580 ( 1.208 8.207 0.755) 8.330 31.938 ( 4.127 -1.763 -0.015) 4.488 32.631 ( 5.923 -2.921 1.857) 6.860 33.064 ( 6.081 2.405 9.646) 11.654 33.229 ( 0.632 -9.864 0.897) 9.924 33.388 ( -2.090 2.678 0.871) 3.507 33.790 ( 0.150 9.732 -3.067) 10.204 35.362 ( 0.095 -0.817 0.650) 1.049 35.488 ( 0.282 -1.501 -0.701) 1.680 35.589 ( -0.675 -1.123 0.972) 1.632 36.105 ( -3.066 -0.745 4.386) 5.403 36.196 ( 3.760 0.506 -4.169) 5.637 36.287 ( -3.018 2.704 -2.031) 4.532 37.396 ( -7.022 -13.806 -5.109) 16.309 38.122 ( 6.125 12.728 3.213) 14.486 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -0.000 0.000) 0.000 2.158 ( -0.000 0.000 -0.000) 0.000 2.264 ( 0.000 -0.000 0.000) 0.000 2.552 ( 0.000 0.000 -0.000) 0.000 2.640 ( 0.000 -0.000 0.000) 0.000 2.957 ( 0.000 -0.000 -0.000) 0.000 3.062 ( -0.000 -0.000 0.000) 0.000 3.365 ( 0.000 -0.000 0.000) 0.000 3.443 ( -0.000 0.000 0.000) 0.000 3.457 ( -0.000 -0.000 0.000) 0.000 3.661 ( 0.000 -0.000 0.000) 0.000 3.736 ( -0.000 0.000 -0.000) 0.000 3.766 ( 0.000 -0.000 0.000) 0.000 3.920 ( 0.000 -0.000 0.000) 0.000 3.992 ( 0.000 -0.000 0.000) 0.000 4.282 ( 0.000 -0.000 0.000) 0.000 4.433 ( 0.000 -0.000 -0.000) 0.000 4.769 ( 0.000 -0.000 -0.000) 0.000 4.856 ( 0.000 -0.000 0.000) 0.000 5.116 ( 0.000 -0.000 -0.000) 0.000 5.142 ( -0.000 0.000 0.000) 0.000 5.260 ( -0.000 -0.000 0.000) 0.000 5.475 ( 0.000 -0.000 0.000) 0.000 5.580 ( 0.000 -0.000 0.000) 0.000 5.744 ( -0.000 -0.000 -0.000) 0.000 5.890 ( 0.000 -0.000 0.000) 0.000 6.005 ( 0.000 -0.000 0.000) 0.000 6.169 ( 0.000 -0.000 0.000) 0.000 6.397 ( -0.000 -0.000 -0.000) 0.000 6.553 ( 0.000 -0.000 0.000) 0.000 7.822 ( 0.000 -0.000 0.000) 0.000 8.008 ( 0.000 -0.000 0.000) 0.000 8.118 ( 0.000 -0.000 -0.000) 0.000 8.372 ( 0.000 -0.000 0.000) 0.000 8.969 ( 0.000 -0.000 -0.000) 0.000 9.044 ( 0.000 -0.000 0.000) 0.000 9.120 ( 0.000 -0.000 0.000) 0.000 9.381 ( 0.000 -0.000 0.000) 0.000 9.553 ( -0.000 -0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.732 ( -0.000 -0.000 0.000) 0.000 9.748 ( 0.000 -0.000 0.000) 0.000 10.245 ( 0.000 -0.000 0.000) 0.000 10.294 ( -0.000 0.000 0.000) 0.000 10.330 ( -0.000 -0.000 -0.000) 0.000 10.609 ( 0.000 -0.000 0.000) 0.000 10.918 ( 0.000 -0.000 0.000) 0.000 11.320 ( -0.000 -0.000 0.000) 0.000 11.321 ( 0.000 0.000 -0.000) 0.000 11.536 ( -0.000 -0.000 0.000) 0.000 11.674 ( 0.000 -0.000 0.000) 0.000 11.948 ( 0.000 -0.000 0.000) 0.000 12.285 ( -0.000 -0.000 0.000) 0.000 12.339 ( 0.000 -0.000 0.000) 0.000 12.396 ( -0.000 -0.000 0.000) 0.000 12.600 ( 0.000 -0.000 0.000) 0.000 12.615 ( -0.000 -0.000 0.000) 0.000 12.621 ( 0.000 0.000 -0.000) 0.000 13.239 ( 0.000 -0.000 -0.000) 0.000 13.566 ( 0.000 -0.000 -0.000) 0.000 13.789 ( 0.000 -0.000 0.000) 0.000 13.977 ( 0.000 -0.000 0.000) 0.000 14.232 ( 0.000 -0.000 0.000) 0.000 14.670 ( 0.000 -0.000 0.000) 0.000 15.096 ( 0.000 -0.000 -0.000) 0.000 15.374 ( 0.000 -0.000 0.000) 0.000 15.438 ( 0.000 -0.000 0.000) 0.000 15.508 ( 0.000 -0.000 0.000) 0.000 16.073 ( 0.000 -0.000 0.000) 0.000 16.168 ( -0.000 -0.000 0.000) 0.000 16.459 ( 0.000 -0.000 0.000) 0.000 16.776 ( -0.000 -0.000 -0.000) 0.000 17.163 ( 0.000 -0.000 0.000) 0.000 17.267 ( 0.000 -0.000 0.000) 0.000 17.443 ( 0.000 0.000 -0.000) 0.000 17.446 ( -0.000 -0.000 0.000) 0.000 20.181 ( 0.000 0.000 -0.000) 0.000 20.207 ( 0.000 -0.000 0.000) 0.000 20.529 ( -0.000 -0.000 0.000) 0.000 20.593 ( 0.000 0.000 0.000) 0.000 22.553 ( 0.000 -0.000 0.000) 0.000 22.624 ( 0.000 -0.000 0.000) 0.000 23.024 ( 0.000 -0.000 -0.000) 0.000 23.059 ( 0.000 0.000 0.000) 0.000 28.040 ( 0.000 0.000 0.000) 0.000 28.178 ( 0.000 -0.000 0.000) 0.000 28.363 ( -0.000 -0.000 -0.000) 0.000 28.675 ( 0.000 -0.000 0.000) 0.000 30.957 ( 0.000 -0.000 0.000) 0.000 30.991 ( 0.000 0.000 0.000) 0.000 31.230 ( 0.000 -0.000 0.000) 0.000 31.346 ( 0.000 -0.000 0.000) 0.000 31.485 ( 0.000 -0.000 0.000) 0.000 31.498 ( 0.000 0.000 -0.000) 0.000 31.971 ( 0.000 -0.000 0.000) 0.000 32.691 ( 0.000 -0.000 0.000) 0.000 33.095 ( -0.000 -0.000 -0.000) 0.000 33.283 ( 0.000 -0.000 0.000) 0.000 33.439 ( 0.000 -0.000 0.000) 0.000 33.647 ( 0.000 -0.000 0.000) 0.000 35.372 ( 0.000 -0.000 -0.000) 0.000 35.501 ( 0.000 -0.000 0.000) 0.000 35.600 ( 0.000 -0.000 0.000) 0.000 36.119 ( 0.000 -0.000 0.000) 0.000 36.192 ( 0.000 -0.000 0.000) 0.000 36.239 ( 0.000 -0.000 -0.000) 0.000 37.496 ( 0.000 -0.000 0.000) 0.000 38.022 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 27.117 0.000 16.389) 31.685 0.631 ( 27.311 0.000 17.354) 32.359 1.152 ( 48.572 0.000 31.352) 57.811 2.290 ( 14.567 0.000 16.074) 21.693 2.295 ( 4.101 0.000 -7.395) 8.456 2.760 ( 1.750 0.000 -0.052) 1.751 2.898 ( -0.549 -0.000 -0.837) 1.001 3.263 ( 0.673 0.000 -5.147) 5.191 3.521 ( -15.681 -0.000 4.369) 16.278 3.551 ( 5.616 0.000 1.987) 5.958 3.626 ( -1.448 -0.000 2.520) 2.907 3.690 ( -8.434 -0.000 -4.087) 9.372 3.858 ( -6.393 -0.000 0.386) 6.405 4.011 ( -7.540 -0.000 4.555) 8.809 4.326 ( 0.434 0.000 -12.551) 12.558 4.420 ( -0.267 -0.000 0.322) 0.418 4.434 ( -7.303 -0.000 7.969) 10.809 4.836 ( 2.484 0.000 0.006) 2.484 4.876 ( 9.075 0.000 -5.474) 10.598 4.994 ( 6.373 0.000 3.876) 7.459 5.250 ( -10.953 -0.000 -9.287) 14.360 5.288 ( -11.918 -0.000 1.879) 12.066 5.385 ( 3.643 0.000 0.199) 3.648 5.522 ( -1.010 -0.000 -13.034) 13.073 5.921 ( 4.685 0.000 -2.881) 5.500 5.944 ( 6.121 0.000 0.755) 6.168 6.000 ( 5.590 0.000 2.924) 6.308 6.340 ( 2.282 0.000 2.126) 3.119 6.562 ( -4.978 -0.000 -6.889) 8.499 6.575 ( 0.201 0.000 -0.806) 0.830 7.779 ( 6.945 0.000 11.416) 13.362 7.959 ( -12.291 -0.000 -3.122) 12.681 8.289 ( -4.151 -0.000 -1.162) 4.310 8.438 ( 2.098 0.000 7.042) 7.348 8.969 ( 1.736 0.000 -1.491) 2.288 9.046 ( 10.977 0.000 -0.993) 11.022 9.157 ( 3.317 0.000 4.066) 5.247 9.218 ( 2.561 0.000 1.055) 2.770 9.425 ( 5.330 0.000 2.637) 5.947 9.617 ( -3.845 -0.000 -11.287) 11.924 9.713 ( 0.292 0.000 -5.001) 5.010 9.999 ( 1.225 0.000 3.339) 3.556 10.170 ( -11.602 -0.000 5.567) 12.869 10.333 ( -4.927 -0.000 0.996) 5.026 10.471 ( 2.987 0.000 5.399) 6.170 11.081 ( -2.218 -0.000 -3.967) 4.545 11.089 ( -5.017 -0.000 -8.751) 10.087 11.289 ( 3.187 0.000 -0.191) 3.193 11.323 ( -1.282 -0.000 0.757) 1.489 11.598 ( 0.678 0.000 -1.444) 1.595 11.648 ( 0.738 0.000 3.183) 3.267 11.878 ( 23.515 0.000 -8.849) 25.125 12.079 ( -5.468 -0.000 6.497) 8.492 12.528 ( -0.190 -0.000 0.891) 0.911 12.542 ( -2.323 -0.000 3.887) 4.528 12.562 ( 6.596 0.000 5.301) 8.462 12.936 ( -1.502 -0.000 -0.306) 1.533 13.139 ( 3.018 0.000 -2.044) 3.644 13.273 ( -8.014 -0.000 2.795) 8.487 13.477 ( 0.807 0.000 -1.403) 1.618 13.662 ( -3.301 -0.000 -3.822) 5.050 13.675 ( -3.150 -0.000 -3.796) 4.933 14.589 ( -1.506 -0.000 0.585) 1.616 14.597 ( -1.340 -0.000 -0.340) 1.382 14.760 ( 0.441 0.000 -1.565) 1.626 15.064 ( -0.266 -0.000 -4.801) 4.808 15.131 ( 2.531 0.000 1.526) 2.956 15.225 ( 3.500 0.000 -0.599) 3.551 16.057 ( -15.473 -0.000 -6.668) 16.849 16.331 ( 1.697 0.000 2.476) 3.001 16.660 ( 3.645 0.000 -0.241) 3.653 16.706 ( 0.455 0.000 -4.301) 4.325 16.945 ( -1.232 -0.000 -0.539) 1.345 17.127 ( -1.810 -0.000 -2.715) 3.263 17.239 ( 6.049 0.000 3.880) 7.187 17.240 ( -0.365 -0.000 -0.732) 0.818 19.765 ( 2.436 0.000 6.057) 6.529 20.126 ( -4.120 -0.000 0.325) 4.133 20.887 ( 0.420 0.000 1.060) 1.141 20.991 ( -0.043 -0.000 0.018) 0.046 21.919 ( 5.654 0.000 -8.681) 10.360 22.323 ( 1.208 0.000 0.365) 1.262 23.202 ( 0.925 0.000 -0.231) 0.954 23.525 ( -0.344 -0.000 -0.500) 0.607 26.958 ( 0.053 0.000 0.058) 0.078 26.972 ( -0.120 -0.000 -0.114) 0.165 29.389 ( 2.632 0.000 4.072) 4.848 29.434 ( 1.259 0.000 -0.185) 1.272 30.666 ( -6.661 -0.000 -2.652) 7.170 30.856 ( -3.197 -0.000 -1.995) 3.768 30.903 ( -2.506 -0.000 -1.686) 3.020 31.453 ( -2.297 -0.000 -2.013) 3.055 31.616 ( -7.695 -0.000 -3.937) 8.643 31.954 ( 4.894 0.000 3.468) 5.998 32.005 ( 3.185 0.000 -3.476) 4.715 32.253 ( 8.585 0.000 -1.456) 8.708 32.683 ( 2.228 0.000 -0.170) 2.234 33.570 ( -2.534 -0.000 -1.318) 2.856 34.106 ( -0.496 -0.000 -1.580) 1.656 34.849 ( -35.024 -0.000 48.174) 59.560 35.313 ( 0.282 0.000 -0.211) 0.352 35.422 ( -11.909 -0.000 15.470) 19.523 35.534 ( -0.558 -0.000 1.210) 1.332 36.092 ( -1.904 -0.000 -2.427) 3.085 36.150 ( 24.411 0.000 -35.901) 43.414 36.214 ( 13.733 0.000 -16.809) 21.705 36.459 ( -4.536 -0.000 0.108) 4.537 38.511 ( 7.860 0.000 4.349) 8.983 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 19.476 -13.484 14.935) 28.004 1.195 ( 16.657 -22.985 15.404) 32.296 1.822 ( 39.306 -15.621 22.535) 47.925 2.312 ( 5.227 -2.402 -6.087) 8.375 2.600 ( 8.662 -8.169 15.735) 19.732 2.703 ( -1.015 3.997 0.852) 4.212 2.816 ( 1.951 3.740 1.445) 4.459 3.139 ( 2.244 7.556 -1.161) 7.967 3.464 ( -7.980 -4.522 -1.971) 9.382 3.561 ( -0.221 0.682 -3.436) 3.510 3.653 ( -0.288 0.306 -0.665) 0.787 3.700 ( -0.962 -3.752 2.550) 4.638 3.825 ( -6.895 -0.902 1.912) 7.212 3.984 ( -4.866 -0.924 -1.926) 5.314 4.188 ( -3.327 4.767 -10.061) 11.620 4.389 ( -2.644 -0.454 2.564) 3.711 4.444 ( -11.066 -1.289 -1.793) 11.284 4.822 ( -2.891 3.155 -2.333) 4.874 4.943 ( -4.027 -0.810 -5.806) 7.112 5.070 ( -1.303 -0.964 0.861) 1.835 5.186 ( -2.966 -6.284 -2.443) 7.366 5.248 ( -4.279 -6.117 0.611) 7.490 5.397 ( 2.838 3.152 -2.502) 4.925 5.542 ( 9.705 -7.676 -1.076) 12.420 5.872 ( 1.491 5.664 -0.980) 5.938 5.924 ( 2.949 5.291 -4.470) 7.528 6.049 ( 4.752 2.254 5.634) 7.707 6.387 ( 1.801 -1.070 1.790) 2.756 6.460 ( -2.797 3.330 -6.051) 7.451 6.552 ( -1.479 1.407 -3.611) 4.148 7.819 ( -2.630 1.951 -0.998) 3.424 7.921 ( 1.536 -1.761 6.379) 6.794 8.232 ( 0.232 4.065 3.308) 5.245 8.466 ( -1.685 0.641 2.808) 3.337 8.930 ( 0.717 3.793 -2.343) 4.515 9.128 ( 6.949 -0.071 0.690) 6.983 9.188 ( 2.820 1.264 3.057) 4.347 9.293 ( 4.365 -2.489 4.505) 6.749 9.455 ( 4.674 1.994 -1.100) 5.199 9.552 ( -3.362 -3.798 -8.090) 9.549 9.733 ( 3.645 -3.464 -3.453) 6.100 9.938 ( -12.261 2.149 3.395) 12.902 10.160 ( 9.441 1.363 5.476) 10.999 10.270 ( -5.035 3.453 1.268) 6.235 10.498 ( 2.398 2.988 5.055) 6.343 10.936 ( -0.442 9.196 -0.530) 9.222 11.010 ( -4.083 0.801 -7.733) 8.781 11.286 ( 2.973 2.659 1.653) 4.318 11.321 ( -3.422 -1.634 0.419) 3.815 11.618 ( 4.846 -2.548 -0.561) 5.503 11.676 ( 0.081 0.650 2.894) 2.967 11.891 ( 19.930 15.145 3.287) 25.246 12.016 ( -4.907 -4.032 0.603) 6.380 12.452 ( 1.788 4.786 1.048) 5.215 12.535 ( 1.504 2.393 2.243) 3.608 12.672 ( -1.156 -1.185 -0.845) 1.858 12.886 ( -2.065 3.496 -0.499) 4.091 13.049 ( -1.596 9.655 -5.759) 11.355 13.197 ( -1.001 -1.763 5.775) 6.121 13.530 ( -0.865 -1.876 -1.999) 2.874 13.587 ( 0.509 -0.599 -1.725) 1.896 13.688 ( -3.977 -4.815 -4.247) 7.552 14.552 ( 3.082 3.507 -0.374) 4.684 14.589 ( 6.949 7.040 5.192) 11.172 14.730 ( -0.795 -11.792 0.017) 11.818 15.085 ( -4.672 -5.418 -3.851) 8.125 15.320 ( -2.658 -6.736 -3.454) 8.023 15.420 ( -4.006 -17.345 -4.002) 18.246 15.895 ( -8.290 0.282 1.102) 8.368 16.260 ( 4.913 10.157 -1.044) 11.331 16.622 ( -1.843 5.430 -2.477) 6.246 16.822 ( -10.529 -8.878 -9.158) 16.539 16.972 ( -1.440 -4.049 0.035) 4.298 17.147 ( -3.009 -4.836 -2.796) 6.345 17.323 ( -1.315 -8.488 -1.306) 8.688 17.335 ( 5.049 -2.275 4.425) 7.089 19.847 ( 2.513 -2.131 7.237) 7.952 20.132 ( -5.278 -4.730 0.301) 7.094 20.789 ( 0.257 9.421 1.402) 9.528 20.992 ( -0.023 2.524 0.383) 2.553 21.976 ( 4.074 -6.942 -5.268) 9.620 22.415 ( 1.234 -8.123 0.373) 8.225 23.102 ( 0.463 8.685 -0.267) 8.701 23.501 ( -0.883 3.224 -1.023) 3.496 27.049 ( 0.314 -10.112 0.257) 10.120 27.340 ( -13.787 -32.609 -10.437) 36.910 29.293 ( 1.676 14.220 1.309) 14.378 29.361 ( 3.623 10.028 2.799) 11.024 30.695 ( -7.162 -10.317 -2.935) 12.897 30.815 ( -3.286 -0.333 -2.796) 4.327 30.901 ( -3.404 -3.571 -2.326) 5.455 31.364 ( 1.499 3.556 2.182) 4.433 31.591 ( -8.627 -3.362 -4.500) 10.295 31.875 ( 5.361 7.603 -1.400) 9.408 31.979 ( 2.427 7.481 3.571) 8.638 32.409 ( 7.425 -8.808 -1.152) 11.577 32.802 ( 2.641 -9.746 0.318) 10.102 33.517 ( -3.436 2.366 -1.744) 4.522 33.981 ( 5.153 34.481 22.780) 41.646 34.108 ( 10.720 25.195 10.027) 29.159 35.326 ( -0.389 -0.875 0.975) 1.366 35.421 ( -0.511 -1.296 -0.127) 1.399 35.540 ( -1.498 -0.905 1.997) 2.655 36.090 ( -6.389 -0.240 6.897) 9.404 36.219 ( 6.460 0.517 -6.924) 9.484 36.364 ( -3.763 -0.465 -6.529) 7.550 36.662 ( -9.053 -29.078 -15.937) 34.372 38.546 ( 9.393 7.128 5.082) 12.840 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 10.438 -18.616 12.760) 24.866 1.723 ( 3.198 -18.727 10.126) 21.528 2.313 ( 17.299 -0.036 7.175) 18.728 2.423 ( 10.357 -8.764 -0.424) 13.574 2.580 ( -7.475 2.435 11.204) 13.687 2.873 ( 2.207 -2.623 5.620) 6.583 3.023 ( 8.621 -14.578 0.858) 16.958 3.124 ( 6.916 -6.221 1.201) 9.379 3.470 ( 0.702 -0.155 -1.117) 1.328 3.497 ( -3.863 2.320 -4.858) 6.626 3.669 ( 1.250 -3.659 -3.154) 4.990 3.717 ( 3.354 2.274 -1.723) 4.403 3.805 ( 1.118 1.222 2.656) 3.130 3.946 ( 1.927 2.264 -5.147) 5.944 4.035 ( -8.412 2.364 -3.150) 9.288 4.296 ( -15.215 2.710 -2.944) 15.732 4.419 ( -0.400 -1.887 0.958) 2.154 4.734 ( -3.333 -0.244 -2.318) 4.067 4.847 ( -4.987 2.093 -2.455) 5.939 5.071 ( -1.914 -1.933 -2.086) 3.428 5.202 ( -3.000 -1.769 -2.583) 4.336 5.342 ( -3.006 0.122 -0.081) 3.010 5.433 ( 3.190 -3.326 1.804) 4.949 5.740 ( 3.061 0.982 -2.852) 4.298 5.786 ( 0.280 2.722 0.414) 2.768 5.817 ( 4.287 1.314 1.801) 4.831 6.064 ( 6.201 2.743 7.631) 10.208 6.303 ( -3.467 5.574 -6.674) 9.361 6.383 ( -4.354 3.041 -1.799) 5.607 6.521 ( 2.820 -1.245 -3.372) 4.569 7.799 ( 0.200 -1.027 0.441) 1.136 7.972 ( -0.665 -0.431 0.704) 1.060 8.216 ( 4.450 3.736 9.242) 10.917 8.405 ( -6.132 2.449 -3.689) 7.564 8.869 ( 0.260 0.543 -0.466) 0.762 9.131 ( -2.944 1.585 -0.088) 3.345 9.177 ( 2.775 1.724 1.348) 3.534 9.385 ( -1.488 -2.305 -0.652) 2.820 9.468 ( 2.710 2.048 -1.241) 3.616 9.553 ( 4.919 -2.740 -1.906) 5.945 9.792 ( -2.313 1.799 5.019) 5.812 9.948 ( 5.967 -7.531 -0.760) 9.639 10.121 ( 0.834 11.634 3.212) 12.098 10.237 ( 2.055 -1.582 -1.336) 2.917 10.459 ( -1.152 3.748 0.918) 4.027 10.790 ( 3.430 8.292 3.267) 9.549 10.949 ( -2.356 0.051 -3.258) 4.021 11.301 ( 3.823 0.231 4.534) 5.935 11.326 ( -3.493 -0.653 2.881) 4.575 11.646 ( 0.330 4.283 2.774) 5.113 11.733 ( 3.060 -5.922 -6.637) 9.406 11.808 ( 14.401 7.711 4.958) 17.071 12.128 ( -1.801 -9.318 -0.171) 9.492 12.380 ( -1.711 3.427 0.499) 3.863 12.474 ( -0.075 6.709 0.716) 6.747 12.572 ( -6.036 4.975 -5.005) 9.286 12.792 ( -3.096 4.457 -5.310) 7.593 12.868 ( 0.084 6.091 1.540) 6.283 13.252 ( 0.248 -0.600 3.976) 4.029 13.530 ( -2.071 -0.876 -2.700) 3.514 13.676 ( 7.622 -5.579 1.767) 9.609 13.725 ( -5.493 -6.353 -6.300) 10.499 14.531 ( 8.301 8.778 6.792) 13.860 14.575 ( -4.392 -2.982 -0.422) 5.326 14.913 ( -0.703 -9.221 -2.276) 9.524 15.167 ( -2.539 -6.573 -2.237) 7.393 15.360 ( -3.324 -6.124 -4.209) 8.140 15.592 ( -6.631 -10.407 -7.219) 14.297 15.936 ( 1.415 1.200 6.094) 6.370 16.168 ( 6.742 -0.084 4.710) 8.224 16.473 ( -0.962 6.771 -3.399) 7.637 16.783 ( -11.672 -3.019 -9.792) 15.532 17.033 ( -0.152 -3.346 2.084) 3.944 17.202 ( -2.653 -5.573 -4.267) 7.503 17.406 ( -2.131 -1.779 3.683) 4.612 17.437 ( 3.371 -3.130 0.114) 4.601 19.949 ( 1.385 -3.293 6.194) 7.151 20.212 ( -5.188 -8.418 0.041) 9.888 20.608 ( 0.602 11.578 0.789) 11.621 20.896 ( 0.406 7.794 0.216) 7.807 22.156 ( 3.240 -11.980 -3.232) 12.825 22.603 ( 0.356 -11.141 0.374) 11.153 22.940 ( -0.055 8.925 -0.802) 8.961 23.394 ( -0.149 7.418 -0.385) 7.429 27.316 ( 1.098 -18.287 1.344) 18.369 27.687 ( -14.189 -25.711 -10.619) 31.227 28.964 ( -2.155 21.056 -1.427) 21.214 29.196 ( 8.519 15.894 6.594) 19.201 30.802 ( -3.248 -3.386 -2.276) 5.215 30.841 ( -4.497 -10.735 -2.719) 11.953 30.959 ( -3.195 -7.914 -2.991) 9.043 31.385 ( 1.069 -1.725 3.121) 3.723 31.530 ( -4.828 1.811 -1.708) 5.432 31.761 ( 1.007 8.020 -0.843) 8.127 31.891 ( 1.778 3.587 -1.647) 4.329 32.617 ( 7.021 -7.917 0.493) 10.593 33.028 ( 2.507 -11.952 0.922) 12.247 33.412 ( -3.325 5.743 -1.377) 6.777 33.579 ( 12.309 27.673 23.209) 38.158 33.939 ( 1.721 9.094 -3.895) 10.042 35.347 ( -0.472 -1.162 0.908) 1.548 35.450 ( 0.310 -2.211 -1.187) 2.529 35.562 ( -1.465 -1.540 1.650) 2.691 36.092 ( -4.192 -0.706 5.834) 7.219 36.216 ( 5.166 0.851 -5.656) 7.707 36.290 ( -3.300 1.773 -2.975) 4.784 36.957 ( -10.104 -21.920 -9.113) 25.800 38.456 ( 8.783 13.643 4.695) 16.891 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -1.244 -15.873 6.340) 17.138 2.056 ( 0.825 -13.391 3.067) 13.763 2.411 ( 1.108 1.623 0.873) 2.150 2.510 ( 3.758 4.289 -1.469) 5.888 2.616 ( 0.139 -1.174 3.265) 3.473 2.825 ( -4.385 -0.689 8.045) 9.188 3.243 ( -0.419 -5.802 -5.589) 8.067 3.319 ( 3.013 -0.024 -4.668) 5.556 3.353 ( 3.893 3.696 0.600) 5.401 3.548 ( -2.499 -0.541 4.836) 5.470 3.700 ( 4.991 -2.647 -1.237) 5.783 3.763 ( 1.757 1.473 -1.902) 2.979 3.846 ( 6.815 4.038 1.327) 8.032 3.855 ( 4.415 -2.446 -5.789) 7.681 3.964 ( -3.593 -1.209 2.193) 4.380 4.210 ( -4.717 -4.451 0.927) 6.552 4.440 ( 1.319 -0.208 -3.217) 3.483 4.779 ( -3.076 -5.014 1.972) 6.204 4.792 ( 0.401 0.065 2.246) 2.283 5.103 ( 2.346 -3.717 -3.845) 5.840 5.198 ( -10.306 8.872 1.402) 13.671 5.213 ( -2.131 -2.173 -3.505) 4.642 5.464 ( 1.477 -0.350 2.560) 2.977 5.597 ( -1.033 6.526 -1.492) 6.774 5.796 ( -3.395 3.322 0.535) 4.780 5.875 ( 4.908 -3.429 2.588) 6.522 6.089 ( 1.078 5.958 2.526) 6.560 6.163 ( -1.167 2.930 -5.899) 6.689 6.362 ( 3.037 -5.884 1.627) 6.819 6.555 ( 2.710 -0.456 -0.907) 2.894 7.821 ( -0.935 -0.307 0.452) 1.083 7.921 ( -5.327 1.302 -7.031) 8.917 8.204 ( -3.112 3.619 1.514) 5.007 8.374 ( 5.198 -2.341 6.951) 8.990 8.915 ( 1.456 -3.883 0.028) 4.146 9.056 ( -6.264 2.379 -1.041) 6.780 9.173 ( 3.422 2.779 1.128) 4.550 9.391 ( -0.691 1.058 0.169) 1.275 9.440 ( -2.158 -4.249 -3.606) 5.976 9.592 ( -1.547 2.744 0.871) 3.268 9.803 ( 8.110 1.760 4.408) 9.397 9.918 ( 3.809 10.892 0.665) 11.558 10.154 ( 1.768 -8.016 -2.279) 8.520 10.244 ( -1.444 -1.782 -3.137) 3.886 10.365 ( -0.984 5.387 1.127) 5.591 10.722 ( 3.864 6.365 4.560) 8.731 10.917 ( -0.967 0.869 -1.404) 1.913 11.331 ( -1.582 0.024 4.215) 4.502 11.356 ( 2.882 0.350 3.069) 4.225 11.576 ( 0.098 4.902 2.002) 5.295 11.718 ( 3.059 2.531 -4.117) 5.720 11.929 ( 7.838 -3.505 0.454) 8.598 12.258 ( -4.430 -4.501 -3.771) 7.356 12.322 ( -4.033 2.115 0.300) 4.564 12.357 ( -0.374 -0.146 0.678) 0.788 12.474 ( -3.067 -2.624 1.104) 4.184 12.645 ( -0.195 5.039 -4.276) 6.612 12.812 ( 2.980 6.087 2.220) 7.132 13.255 ( -0.407 1.430 2.466) 2.880 13.531 ( -0.439 -2.332 -2.451) 3.411 13.754 ( -7.330 -6.649 -6.329) 11.747 13.839 ( 5.077 -3.344 0.542) 6.103 14.419 ( 2.436 11.839 4.889) 13.038 14.596 ( -5.147 -5.092 -1.510) 7.396 15.042 ( 1.491 -6.223 -1.233) 6.517 15.248 ( -0.842 -6.786 -0.695) 6.874 15.442 ( 0.095 -2.504 -2.546) 3.572 15.596 ( -1.468 1.788 -1.856) 2.966 15.960 ( 0.869 -3.412 3.193) 4.754 16.269 ( 1.166 3.789 3.000) 4.972 16.427 ( 1.048 -3.027 -1.832) 3.690 16.695 ( -5.670 -4.253 -4.932) 8.634 17.113 ( -0.070 -3.998 2.110) 4.521 17.246 ( -0.835 -3.386 -4.498) 5.692 17.408 ( -2.943 1.155 3.412) 4.651 17.492 ( 2.930 -0.468 -0.104) 2.969 20.061 ( -0.039 -5.764 3.862) 6.938 20.345 ( -2.508 -9.466 -1.383) 9.890 20.403 ( -0.497 11.364 1.093) 11.427 20.750 ( 1.448 8.883 -0.172) 9.002 22.393 ( 2.840 -12.926 -1.145) 13.283 22.736 ( -2.152 5.083 1.765) 5.794 22.845 ( 1.171 -7.393 -2.083) 7.769 23.237 ( 0.161 9.992 0.019) 9.994 27.710 ( 1.869 -22.794 2.124) 22.969 27.951 ( -10.714 -21.230 -7.905) 25.060 28.529 ( -3.058 23.591 -2.142) 23.885 29.026 ( 11.678 16.077 8.633) 21.665 30.850 ( -2.438 -5.680 -2.352) 6.614 30.948 ( -3.283 -5.906 -1.248) 6.872 31.100 ( -0.678 -10.092 -2.239) 10.359 31.406 ( -1.061 2.591 1.013) 2.977 31.486 ( 0.609 -0.315 1.766) 1.895 31.611 ( 0.932 8.768 0.481) 8.830 31.838 ( -6.502 -1.854 -7.675) 10.228 32.782 ( 7.339 -2.399 2.409) 8.088 33.193 ( 1.964 3.540 -1.284) 4.248 33.301 ( 0.387 -0.463 6.102) 6.132 33.420 ( 2.841 6.750 8.869) 11.502 33.747 ( 0.171 9.958 -4.859) 11.082 35.365 ( -0.439 -0.716 0.323) 0.900 35.484 ( 0.157 -1.746 -0.653) 1.870 35.586 ( -0.892 -1.249 0.646) 1.666 36.112 ( -2.082 -0.805 3.398) 4.066 36.204 ( 3.034 1.046 -3.708) 4.904 36.239 ( -0.884 0.408 -0.167) 0.987 37.214 ( -7.811 -19.292 -5.286) 21.474 38.266 ( 6.573 16.081 3.513) 17.724 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -12.641 11.975 -12.193) 21.257 2.060 ( -6.999 14.879 -2.835) 16.686 2.404 ( 4.978 4.148 2.902) 7.100 2.516 ( 0.226 -2.899 -0.996) 3.074 2.646 ( -0.437 -12.921 -0.100) 12.929 2.977 ( -0.023 0.790 5.305) 5.364 3.099 ( 1.064 8.436 1.533) 8.640 3.278 ( -6.188 1.110 -5.696) 8.484 3.431 ( -1.957 -0.862 0.248) 2.153 3.507 ( 7.876 -0.147 -1.756) 8.070 3.618 ( 2.888 9.414 -5.174) 11.124 3.701 ( -1.927 2.272 1.984) 3.579 3.883 ( 2.112 2.930 6.628) 7.548 3.939 ( -1.577 -0.300 5.782) 6.001 4.032 ( 5.462 -5.529 -2.387) 8.130 4.340 ( -1.548 -5.337 -3.716) 6.685 4.395 ( 2.263 -1.468 1.010) 2.880 4.786 ( 1.785 0.526 3.338) 3.822 4.903 ( 0.764 -1.296 1.288) 1.981 4.971 ( -7.815 0.476 3.546) 8.595 5.182 ( -0.894 -3.672 -2.171) 4.359 5.331 ( 4.168 -11.707 -2.566) 12.689 5.496 ( 1.855 0.294 4.141) 4.547 5.524 ( -3.966 0.674 0.025) 4.023 5.710 ( -3.824 1.102 -4.022) 5.658 5.896 ( 5.396 5.319 -2.530) 7.989 5.977 ( -2.647 4.952 1.372) 5.780 6.172 ( 0.697 -5.471 -0.339) 5.526 6.520 ( 6.625 0.373 0.766) 6.680 6.578 ( 2.515 -2.855 4.922) 6.221 7.783 ( -1.990 1.297 -5.651) 6.130 7.840 ( -4.281 -1.271 -2.463) 5.100 8.124 ( -6.207 0.192 -3.124) 6.951 8.528 ( 7.633 -0.126 9.668) 12.318 8.949 ( -1.019 3.115 -1.432) 3.576 9.016 ( -0.075 -5.548 -1.028) 5.643 9.133 ( 1.482 4.274 1.941) 4.922 9.367 ( -1.153 0.014 -1.535) 1.919 9.464 ( -4.937 3.766 -0.460) 6.227 9.546 ( -1.267 -5.400 -2.171) 5.956 9.819 ( 6.093 5.251 3.399) 8.731 9.856 ( 8.449 0.940 0.569) 8.520 10.158 ( -7.957 -0.105 -2.034) 8.214 10.245 ( -0.211 1.720 -3.106) 3.557 10.366 ( 1.093 -3.613 1.112) 3.935 10.644 ( 0.107 5.633 2.652) 6.227 10.897 ( -1.322 -0.943 -0.915) 1.864 11.327 ( 0.703 2.970 0.187) 3.058 11.358 ( 2.077 1.540 2.641) 3.695 11.506 ( -1.716 2.658 0.711) 3.243 11.673 ( 1.313 2.419 -2.294) 3.582 11.957 ( -1.175 3.994 0.244) 4.171 12.243 ( -2.516 -4.173 -2.596) 5.521 12.261 ( -2.473 -0.298 -1.554) 2.936 12.491 ( 0.698 -7.958 5.487) 9.692 12.592 ( 4.060 -1.607 -2.992) 5.293 12.634 ( 0.681 -7.366 2.547) 7.824 12.679 ( 3.516 9.532 1.604) 10.286 13.241 ( -0.244 1.330 0.886) 1.616 13.572 ( 1.437 -2.715 -1.115) 3.268 13.783 ( -3.254 -0.935 -0.398) 3.409 13.822 ( -8.136 -1.247 -5.880) 10.115 14.255 ( 1.107 9.145 1.346) 9.309 14.655 ( -1.210 -3.341 -1.749) 3.960 15.121 ( 1.788 -0.260 0.437) 1.859 15.368 ( 2.120 -2.081 -1.468) 3.314 15.440 ( -2.731 -7.252 3.050) 8.328 15.571 ( 4.671 3.231 2.215) 6.096 16.047 ( -1.723 -1.616 -0.247) 2.376 16.189 ( 1.239 5.874 0.570) 6.030 16.329 ( -6.992 2.758 -6.503) 9.939 16.890 ( 6.431 -11.404 5.085) 14.045 17.185 ( -0.529 -2.343 2.348) 3.359 17.256 ( 1.506 -0.110 -3.108) 3.455 17.370 ( -4.557 0.832 0.393) 4.649 17.503 ( 2.764 1.412 -0.311) 3.119 20.182 ( 0.890 8.356 -1.047) 8.468 20.208 ( -0.831 -5.697 1.231) 5.888 20.516 ( -1.677 -9.955 0.728) 10.121 20.609 ( 1.880 7.558 -0.677) 7.818 22.548 ( -0.576 9.903 0.357) 9.926 22.650 ( 1.652 -10.793 1.102) 10.974 23.025 ( -0.093 -0.356 0.544) 0.656 23.052 ( -0.126 0.737 -1.079) 1.313 28.035 ( 0.352 16.543 -0.956) 16.575 28.183 ( -1.896 -15.605 0.761) 15.738 28.218 ( -5.463 -20.119 -4.009) 21.229 28.915 ( 13.638 12.627 9.260) 20.765 30.912 ( -2.228 -3.353 -3.230) 5.162 31.003 ( -0.201 -2.553 1.254) 2.852 31.231 ( 0.471 -2.480 -0.078) 2.526 31.343 ( 0.751 2.359 -0.184) 2.483 31.488 ( -0.204 4.548 -0.681) 4.603 31.517 ( 0.393 -0.740 1.930) 2.104 31.771 ( -12.217 -4.869 -9.258) 16.083 32.786 ( 5.452 9.890 3.503) 11.824 33.071 ( -1.013 6.176 -1.651) 6.473 33.319 ( 0.430 0.395 4.122) 4.163 33.441 ( 1.133 6.575 -1.142) 6.769 33.636 ( -0.715 -6.171 -0.648) 6.246 35.367 ( -0.353 0.188 -0.239) 0.466 35.501 ( -0.111 -0.233 0.068) 0.267 35.596 ( -0.161 -0.189 -0.270) 0.367 36.113 ( 0.421 0.327 -1.189) 1.302 36.192 ( -0.686 0.472 0.935) 1.252 36.268 ( 1.965 -2.449 1.215) 3.367 37.448 ( -3.401 -12.586 -1.800) 13.161 38.063 ( 2.783 10.589 1.560) 11.059 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -9.978 21.606 -11.311) 26.350 1.611 ( -9.543 23.183 -4.746) 25.516 2.286 ( -0.627 4.875 -2.255) 5.408 2.596 ( 12.657 13.667 3.462) 18.947 2.765 ( 2.287 7.216 -3.582) 8.375 2.803 ( 5.647 3.932 5.140) 8.589 2.924 ( -15.687 15.654 -3.187) 22.389 3.131 ( -8.981 10.612 -7.147) 15.632 3.284 ( -2.138 -2.162 0.725) 3.126 3.550 ( 0.610 3.817 -1.654) 4.204 3.636 ( 2.522 -10.625 2.969) 11.317 3.738 ( -1.619 1.466 1.809) 2.836 3.793 ( 1.518 -1.522 1.778) 2.789 4.000 ( 3.304 -1.165 4.761) 5.911 4.133 ( -1.153 -3.933 -2.466) 4.783 4.397 ( 4.902 -7.451 1.465) 9.038 4.576 ( 2.625 -7.904 1.858) 8.533 4.779 ( 0.393 4.708 -0.668) 4.771 4.926 ( 1.291 -3.507 1.748) 4.125 5.077 ( 2.585 -10.134 4.633) 11.439 5.259 ( -1.403 -5.893 0.758) 6.105 5.422 ( -6.521 4.862 -4.978) 9.537 5.502 ( 0.396 -0.577 1.234) 1.419 5.587 ( 0.734 -9.564 0.637) 9.614 5.690 ( -0.620 -2.897 -2.136) 3.652 5.765 ( 0.753 10.497 -2.503) 10.818 5.906 ( 1.884 3.545 1.278) 4.213 6.301 ( 1.063 -6.874 1.538) 7.123 6.474 ( 0.350 4.481 -0.708) 4.550 6.699 ( 4.209 -1.345 5.037) 6.700 7.703 ( -4.690 0.971 -6.087) 7.746 7.889 ( 5.450 -3.229 3.716) 7.344 8.072 ( -6.615 -2.376 -4.919) 8.579 8.542 ( 2.755 4.944 2.267) 6.097 8.888 ( -3.267 3.072 -0.007) 4.484 9.061 ( -1.356 0.927 0.301) 1.670 9.150 ( 6.445 -2.397 2.131) 7.199 9.319 ( -4.811 1.169 -5.317) 7.265 9.380 ( -2.093 1.193 0.607) 2.485 9.599 ( 0.555 -1.248 0.675) 1.524 9.812 ( 2.490 1.694 1.034) 3.184 9.984 ( 7.101 -6.497 0.060) 9.625 10.077 ( -0.389 3.819 3.067) 4.914 10.175 ( -4.171 3.699 -3.295) 6.476 10.372 ( -4.778 0.346 -1.346) 4.976 10.647 ( 1.086 -5.749 0.309) 5.859 10.934 ( -1.091 -4.917 -0.461) 5.058 11.265 ( 1.730 3.675 0.044) 4.062 11.384 ( 1.447 -1.678 1.048) 2.450 11.459 ( -2.511 1.587 0.397) 2.997 11.624 ( -0.035 2.298 -1.343) 2.661 11.845 ( -2.649 5.390 1.287) 6.143 12.263 ( -1.638 -2.298 -2.140) 3.541 12.325 ( 0.174 -4.382 1.699) 4.703 12.425 ( 1.076 13.556 -2.205) 13.776 12.646 ( -1.502 -8.613 -0.453) 8.755 12.708 ( 5.037 -3.304 2.864) 6.670 12.867 ( 2.031 -10.200 2.938) 10.807 13.208 ( 0.119 1.646 -0.751) 1.813 13.588 ( -1.380 3.407 0.093) 3.677 13.671 ( 1.669 4.158 -0.076) 4.481 13.877 ( -6.382 -9.416 -1.838) 11.523 14.115 ( -1.613 6.573 -2.015) 7.062 14.638 ( -0.866 2.463 -1.414) 2.969 15.037 ( -1.081 8.134 -0.623) 8.229 15.478 ( 6.831 -0.497 5.709) 8.916 15.521 ( 3.134 0.234 0.286) 3.156 15.663 ( -1.437 -10.818 2.168) 11.127 15.890 ( -5.531 9.390 -5.203) 12.076 16.059 ( 0.050 8.155 -1.080) 8.227 16.360 ( -0.817 -8.860 -0.112) 8.899 17.140 ( 7.582 -4.700 3.039) 9.424 17.180 ( 1.792 4.290 5.930) 7.535 17.272 ( -1.566 -3.198 -2.247) 4.211 17.318 ( -4.900 0.143 -2.038) 5.309 17.494 ( 2.866 0.750 -0.925) 3.104 19.991 ( 0.138 9.554 -1.436) 9.662 20.382 ( -0.963 -10.721 0.986) 10.809 20.464 ( 2.379 8.488 -0.641) 8.838 20.711 ( -0.563 -10.763 -0.097) 10.779 22.326 ( -1.766 12.715 0.584) 12.851 22.809 ( 0.048 12.829 -0.522) 12.839 22.877 ( 1.801 -10.257 1.940) 10.593 23.243 ( 0.308 -11.108 0.090) 11.112 27.630 ( -0.486 21.566 -0.692) 21.582 28.481 ( -0.725 -17.026 1.607) 17.117 28.614 ( 0.898 -21.994 1.572) 22.069 28.892 ( 11.533 5.817 5.415) 14.006 30.857 ( -3.311 4.830 -4.058) 7.125 31.049 ( 2.042 0.832 2.384) 3.247 31.156 ( 0.658 7.566 -0.009) 7.595 31.261 ( -5.639 6.341 -3.373) 9.131 31.515 ( 1.845 -5.760 0.816) 6.103 31.568 ( -0.177 -5.899 0.163) 5.904 31.746 ( -8.378 -5.559 -5.139) 11.292 32.613 ( 1.012 11.928 1.476) 12.061 32.914 ( -2.583 8.193 -3.898) 9.433 33.219 ( -0.207 12.711 -0.118) 12.713 33.411 ( 0.983 -5.170 -0.022) 5.262 33.811 ( -0.103 -10.132 1.050) 10.187 35.353 ( -0.168 0.893 -0.357) 0.977 35.490 ( -0.161 1.334 0.313) 1.380 35.587 ( 0.241 0.946 -0.487) 1.090 36.108 ( 1.879 0.046 -2.209) 2.900 36.186 ( -2.018 0.029 2.162) 2.958 36.348 ( 1.744 -3.714 1.128) 4.255 37.512 ( 2.362 5.697 1.951) 6.469 38.034 ( -1.966 -7.538 -1.008) 7.855 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.000 24.578 0.000) 24.578 1.081 ( -0.000 28.962 0.000) 28.962 1.994 ( -0.000 49.545 0.000) 49.545 2.224 ( -0.000 3.820 0.000) 3.820 2.608 ( -0.000 2.503 0.000) 2.503 2.726 ( -0.000 1.924 0.000) 1.924 2.755 ( -0.000 19.383 0.000) 19.383 2.938 ( 0.000 -10.952 -0.000) 10.952 3.453 ( 0.000 -9.696 -0.000) 9.696 3.497 ( -0.000 0.404 0.000) 0.404 3.653 ( -0.000 3.789 0.000) 3.789 3.840 ( 0.000 -7.089 -0.000) 7.089 3.894 ( 0.000 -3.996 -0.000) 3.996 4.038 ( 0.000 -0.144 -0.000) 0.144 4.206 ( 0.000 -6.519 -0.000) 6.519 4.584 ( 0.000 -7.734 -0.000) 7.734 4.602 ( -0.000 8.144 0.000) 8.144 4.762 ( 0.000 -6.170 -0.000) 6.170 5.029 ( 0.000 -5.377 -0.000) 5.377 5.169 ( -0.000 13.496 0.000) 13.496 5.345 ( 0.000 -3.114 -0.000) 3.114 5.387 ( 0.000 -13.927 -0.000) 13.927 5.468 ( -0.000 3.579 0.000) 3.579 5.499 ( -0.000 16.682 0.000) 16.682 5.742 ( 0.000 -7.364 -0.000) 7.364 5.760 ( 0.000 -4.587 -0.000) 4.587 5.893 ( 0.000 -0.592 -0.000) 0.592 6.390 ( -0.000 4.294 0.000) 4.294 6.431 ( 0.000 -6.365 -0.000) 6.365 6.728 ( -0.000 1.480 0.000) 1.480 7.640 ( -0.000 1.043 0.000) 1.043 8.040 ( 0.000 -6.244 -0.000) 6.244 8.050 ( 0.000 -2.117 -0.000) 2.117 8.485 ( -0.000 3.262 0.000) 3.262 8.801 ( -0.000 2.580 0.000) 2.580 9.036 ( -0.000 1.153 0.000) 1.153 9.194 ( -0.000 3.121 0.000) 3.121 9.265 ( -0.000 0.808 0.000) 0.808 9.357 ( 0.000 -0.009 -0.000) 0.009 9.640 ( 0.000 -2.986 -0.000) 2.986 9.804 ( -0.000 0.936 0.000) 0.936 9.932 ( -0.000 8.440 0.000) 8.440 10.043 ( -0.000 4.989 0.000) 4.989 10.223 ( 0.000 -10.217 -0.000) 10.217 10.356 ( 0.000 -1.109 -0.000) 1.109 10.809 ( 0.000 -10.340 -0.000) 10.340 11.051 ( 0.000 -8.155 -0.000) 8.155 11.236 ( -0.000 0.578 0.000) 0.578 11.417 ( -0.000 1.211 0.000) 1.211 11.438 ( 0.000 -2.186 -0.000) 2.186 11.593 ( -0.000 0.216 0.000) 0.216 11.753 ( -0.000 4.962 0.000) 4.962 12.184 ( -0.000 10.039 0.000) 10.039 12.285 ( 0.000 -1.665 -0.000) 1.665 12.431 ( 0.000 -4.959 -0.000) 4.959 12.732 ( -0.000 3.361 0.000) 3.361 12.790 ( 0.000 -7.979 -0.000) 7.979 13.033 ( 0.000 -5.982 -0.000) 5.982 13.195 ( -0.000 0.793 0.000) 0.793 13.529 ( 0.000 -0.498 -0.000) 0.498 13.626 ( -0.000 3.272 0.000) 3.272 13.963 ( -0.000 7.678 0.000) 7.678 14.029 ( 0.000 -9.577 -0.000) 9.577 14.583 ( -0.000 2.066 0.000) 2.066 14.875 ( -0.000 8.632 0.000) 8.632 15.406 ( -0.000 8.896 0.000) 8.896 15.449 ( -0.000 12.534 0.000) 12.534 15.720 ( -0.000 7.989 0.000) 7.989 15.874 ( 0.000 -12.293 -0.000) 12.293 16.025 ( 0.000 -6.724 -0.000) 6.724 16.529 ( 0.000 -9.478 -0.000) 9.478 17.080 ( -0.000 6.268 0.000) 6.268 17.225 ( -0.000 1.057 0.000) 1.057 17.268 ( -0.000 1.387 0.000) 1.387 17.290 ( -0.000 2.399 0.000) 2.399 17.556 ( 0.000 -5.921 -0.000) 5.921 19.842 ( -0.000 6.451 0.000) 6.451 20.324 ( -0.000 7.858 0.000) 7.858 20.579 ( 0.000 -11.169 -0.000) 11.169 20.885 ( 0.000 -8.410 -0.000) 8.410 22.098 ( -0.000 11.565 0.000) 11.565 22.579 ( -0.000 12.121 0.000) 12.121 23.056 ( 0.000 -7.661 -0.000) 7.661 23.430 ( 0.000 -9.309 -0.000) 9.309 27.282 ( -0.000 16.771 0.000) 16.771 28.829 ( 0.000 -19.061 -0.000) 19.061 28.871 ( -0.000 3.706 0.000) 3.706 29.009 ( 0.000 -20.040 -0.000) 20.040 30.654 ( -0.000 12.134 0.000) 12.134 30.991 ( -0.000 7.891 0.000) 7.891 31.027 ( -0.000 6.146 0.000) 6.146 31.094 ( -0.000 6.585 0.000) 6.585 31.650 ( 0.000 -8.355 -0.000) 8.355 31.732 ( 0.000 -10.946 -0.000) 10.946 31.759 ( 0.000 -0.660 -0.000) 0.660 32.445 ( -0.000 6.419 0.000) 6.419 32.716 ( -0.000 10.110 0.000) 10.110 32.984 ( -0.000 12.944 0.000) 12.944 33.510 ( 0.000 -4.803 -0.000) 4.803 33.975 ( 0.000 -7.687 -0.000) 7.687 35.333 ( -0.000 1.034 0.000) 1.034 35.460 ( -0.000 1.940 0.000) 1.940 35.564 ( -0.000 1.428 0.000) 1.428 36.113 ( 0.000 -0.276 -0.000) 0.276 36.186 ( 0.000 -0.350 -0.000) 0.350 36.425 ( 0.000 -3.482 -0.000) 3.482 37.375 ( -0.000 9.830 0.000) 9.830 38.212 ( 0.000 -11.449 -0.000) 11.449 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 27.575 0.000 15.763) 31.762 1.205 ( 22.487 0.000 14.986) 27.023 2.144 ( 36.840 0.000 25.591) 44.856 2.255 ( 4.374 0.000 -11.497) 12.301 2.713 ( 11.795 0.000 16.455) 20.246 2.771 ( -0.528 -0.000 -0.888) 1.033 2.899 ( 1.145 0.000 0.597) 1.292 3.178 ( -4.056 -0.000 -7.475) 8.505 3.294 ( -18.755 -0.000 7.456) 20.183 3.465 ( -7.163 -0.000 -3.394) 7.926 3.650 ( -3.432 -0.000 0.984) 3.571 3.700 ( 5.310 0.000 3.644) 6.441 3.795 ( 0.151 0.000 0.022) 0.153 3.928 ( -1.858 -0.000 -6.122) 6.397 4.156 ( -5.524 -0.000 -8.418) 10.069 4.307 ( -14.548 -0.000 1.483) 14.623 4.383 ( -4.013 -0.000 -4.824) 6.275 4.816 ( -3.273 -0.000 0.728) 3.353 4.972 ( 4.420 0.000 -2.204) 4.939 4.988 ( -6.148 -0.000 -7.335) 9.570 5.070 ( -9.011 -0.000 -1.075) 9.075 5.208 ( 9.624 0.000 7.567) 12.242 5.485 ( 9.089 0.000 -0.073) 9.089 5.517 ( 8.077 0.000 -1.713) 8.257 5.899 ( -3.751 -0.000 -4.498) 5.857 5.969 ( 2.893 0.000 -5.959) 6.624 6.116 ( 2.477 0.000 3.384) 4.194 6.400 ( -2.397 -0.000 1.060) 2.621 6.429 ( 2.459 0.000 -4.059) 4.746 6.580 ( 1.171 0.000 -0.540) 1.290 7.795 ( -3.703 -0.000 -1.824) 4.127 7.950 ( 2.513 0.000 4.368) 5.039 8.313 ( 3.185 0.000 7.128) 7.807 8.457 ( -5.214 -0.000 0.571) 5.245 8.970 ( 1.186 0.000 -2.832) 3.070 9.192 ( 5.141 0.000 0.641) 5.181 9.274 ( 4.342 0.000 5.166) 6.749 9.336 ( -10.574 -0.000 -16.314) 19.441 9.347 ( 7.102 0.000 5.616) 9.054 9.537 ( 3.757 0.000 2.040) 4.276 9.710 ( 6.704 0.000 -2.727) 7.238 9.891 ( -7.139 -0.000 5.117) 8.783 10.243 ( -7.360 -0.000 1.298) 7.474 10.265 ( 5.253 0.000 4.658) 7.021 10.588 ( 2.618 0.000 6.823) 7.308 10.925 ( -1.826 -0.000 -8.205) 8.406 11.053 ( 0.990 0.000 -0.045) 0.991 11.268 ( -3.790 -0.000 -1.557) 4.097 11.337 ( 3.785 0.000 -0.539) 3.823 11.617 ( 2.401 0.000 0.116) 2.404 11.726 ( 3.594 0.000 3.960) 5.348 11.938 ( -5.503 -0.000 0.502) 5.526 12.264 ( 15.923 0.000 3.811) 16.373 12.482 ( -5.904 -0.000 -3.503) 6.865 12.528 ( -0.522 -0.000 -2.771) 2.820 12.681 ( 1.136 0.000 2.786) 3.008 12.939 ( 0.991 0.000 1.559) 1.847 13.112 ( 0.061 0.000 -9.045) 9.045 13.213 ( -5.186 -0.000 7.832) 9.393 13.442 ( -1.069 -0.000 -2.623) 2.833 13.562 ( -4.354 -0.000 -5.112) 6.715 13.627 ( 2.321 0.000 0.469) 2.368 14.557 ( -2.543 -0.000 -0.980) 2.725 14.563 ( -2.935 -0.000 0.678) 3.012 14.738 ( -0.514 -0.000 -3.430) 3.468 15.025 ( -0.352 -0.000 -1.089) 1.144 15.059 ( -8.618 -0.000 -10.855) 13.860 15.260 ( 1.644 0.000 -0.338) 1.679 15.822 ( -6.864 -0.000 3.220) 7.582 16.397 ( 1.566 0.000 4.408) 4.678 16.667 ( -0.018 -0.000 -3.808) 3.808 16.669 ( 1.853 0.000 -5.314) 5.628 16.925 ( -1.466 -0.000 0.612) 1.589 17.057 ( -2.581 -0.000 -2.729) 3.756 17.223 ( -0.337 -0.000 -1.135) 1.184 17.384 ( 5.820 0.000 4.368) 7.277 19.904 ( 3.945 0.000 8.807) 9.650 20.049 ( -5.926 -0.000 0.432) 5.942 20.911 ( 0.661 0.000 1.537) 1.673 20.991 ( -0.374 -0.000 0.593) 0.701 21.908 ( 2.557 0.000 -4.335) 5.033 22.352 ( 1.724 0.000 0.502) 1.795 23.215 ( 1.064 0.000 -0.443) 1.153 23.516 ( 0.009 0.000 -0.329) 0.330 26.960 ( 0.075 0.000 0.081) 0.111 26.968 ( -0.175 -0.000 -0.140) 0.224 29.450 ( 0.774 0.000 -0.294) 0.828 29.505 ( 6.001 0.000 4.120) 7.279 30.493 ( -9.133 -0.000 -4.923) 10.376 30.765 ( -4.206 -0.000 -3.261) 5.322 30.821 ( -4.356 -0.000 -3.180) 5.393 31.406 ( -1.683 -0.000 -0.693) 1.820 31.444 ( -8.130 -0.000 -3.304) 8.776 32.017 ( 1.411 0.000 -0.805) 1.624 32.078 ( 5.018 0.000 4.067) 6.460 32.368 ( 6.553 0.000 0.338) 6.561 32.726 ( 3.525 0.000 -0.444) 3.553 33.498 ( -4.107 -0.000 -2.063) 4.596 34.072 ( -0.952 -0.000 -2.217) 2.413 34.851 ( -14.476 -0.000 20.109) 24.777 35.312 ( 0.012 0.000 -0.562) 0.562 35.409 ( -5.591 -0.000 6.344) 8.456 35.542 ( -0.548 -0.000 1.577) 1.670 36.029 ( -1.830 -0.000 -2.661) 3.229 36.124 ( 7.257 0.000 -12.224) 14.216 36.236 ( 8.506 0.000 -9.991) 13.122 36.372 ( -6.224 -0.000 -0.033) 6.224 38.723 ( 10.625 0.000 5.994) 12.199 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 16.341 -4.307 12.290) 20.896 1.618 ( 15.521 -9.554 12.305) 21.990 2.284 ( 4.409 -5.978 -9.565) 12.110 2.540 ( 18.718 -2.074 10.248) 21.440 2.681 ( 0.631 5.006 12.302) 13.297 2.848 ( 3.245 -0.839 4.547) 5.649 2.906 ( 3.131 -3.755 5.473) 7.338 3.181 ( 3.713 -0.133 -2.050) 4.243 3.334 ( -7.687 -13.273 1.770) 15.440 3.415 ( -7.200 -0.938 -5.901) 9.356 3.614 ( -2.625 0.236 0.096) 2.637 3.731 ( -1.845 -0.140 -0.780) 2.008 3.829 ( 3.463 -0.857 1.361) 3.818 3.901 ( 4.943 -1.574 -10.534) 11.743 4.026 ( -14.170 2.666 2.659) 14.661 4.207 ( -8.029 1.580 -4.643) 9.409 4.337 ( -4.903 -3.720 -4.750) 7.774 4.768 ( -1.844 4.362 1.692) 5.029 4.846 ( -1.295 3.742 -0.380) 3.978 4.971 ( -4.544 -3.124 -3.232) 6.391 5.130 ( -0.533 -3.713 -2.496) 4.506 5.330 ( 3.879 -1.241 5.215) 6.617 5.515 ( 9.165 2.307 3.784) 10.180 5.682 ( 6.615 -7.133 -0.375) 9.735 5.816 ( -3.616 1.353 -3.237) 5.038 5.918 ( 4.462 4.369 -4.324) 7.596 6.124 ( -0.775 0.381 1.491) 1.723 6.319 ( -4.699 4.241 -3.498) 7.232 6.462 ( 3.742 2.188 0.249) 4.341 6.536 ( 1.305 3.174 -1.228) 3.645 7.789 ( 1.274 -0.597 1.400) 1.985 7.988 ( 2.811 0.496 1.293) 3.134 8.346 ( -0.645 2.837 6.451) 7.077 8.391 ( -5.018 2.105 -0.753) 5.494 8.893 ( -1.435 3.825 -3.973) 5.699 9.152 ( -8.884 0.248 -6.813) 11.198 9.180 ( 1.191 2.515 -2.366) 3.653 9.353 ( 1.524 -1.165 2.448) 3.110 9.502 ( 6.570 -4.294 4.447) 9.022 9.537 ( 2.662 2.468 -1.023) 3.772 9.810 ( 6.112 -3.747 -0.665) 7.200 9.901 ( 1.179 -1.412 5.299) 5.609 10.199 ( -3.628 0.819 4.142) 5.567 10.322 ( 4.082 0.875 2.813) 5.034 10.564 ( 1.113 7.713 1.218) 7.888 10.894 ( 0.797 -1.369 -1.687) 2.314 10.998 ( 3.519 6.989 1.498) 7.967 11.245 ( -3.203 -1.565 -1.593) 3.905 11.387 ( 3.544 -1.534 3.306) 5.084 11.642 ( 2.813 -0.727 -2.586) 3.890 11.754 ( 4.027 2.470 3.146) 5.676 11.939 ( -5.962 -4.650 2.251) 7.889 12.215 ( 12.482 13.385 4.292) 18.798 12.423 ( -0.812 2.880 -4.046) 5.032 12.482 ( -5.793 0.691 -7.367) 9.397 12.628 ( -2.377 5.164 1.015) 5.775 12.868 ( -1.093 7.154 -0.731) 7.274 12.961 ( -4.592 7.456 -3.049) 9.272 13.243 ( -0.532 -2.191 4.712) 5.223 13.435 ( -3.393 -3.461 -5.997) 7.710 13.608 ( 3.224 -3.164 -0.015) 4.518 13.661 ( 2.196 -3.074 2.342) 4.445 14.500 ( -5.456 1.103 -3.001) 6.324 14.680 ( -4.434 -12.117 -2.108) 13.074 14.745 ( 6.462 3.462 0.140) 7.332 14.935 ( -6.120 -12.167 -4.438) 14.324 15.207 ( -7.079 -10.287 -9.802) 15.875 15.279 ( -1.963 -5.462 0.012) 5.804 15.909 ( 1.053 -7.571 8.882) 11.718 16.342 ( 4.611 8.849 1.609) 10.108 16.572 ( -0.417 6.698 -3.149) 7.413 16.628 ( -5.270 0.202 -6.106) 8.069 16.972 ( -0.958 -4.579 0.872) 4.759 17.071 ( -2.373 -4.109 -1.968) 5.137 17.295 ( -0.706 -7.277 -1.022) 7.382 17.455 ( 4.300 -0.642 3.162) 5.376 19.981 ( 3.059 0.028 7.535) 8.132 20.051 ( -5.310 -4.893 0.374) 7.230 20.809 ( 0.469 9.586 1.106) 9.661 20.996 ( -0.099 2.462 0.591) 2.534 21.973 ( 1.978 -7.637 -3.165) 8.500 22.440 ( 1.306 -7.482 0.433) 7.607 23.120 ( 1.403 9.422 0.016) 9.526 23.489 ( 0.137 3.397 -0.208) 3.406 27.059 ( 0.448 -11.038 0.464) 11.057 27.156 ( -4.155 -18.781 -2.911) 19.454 29.283 ( -1.614 16.299 -0.974) 16.408 29.506 ( 7.327 7.977 4.700) 11.807 30.541 ( -6.173 -13.541 -4.445) 15.531 30.724 ( -3.649 -1.240 -2.802) 4.765 30.802 ( -4.629 -3.892 -3.546) 7.011 31.367 ( -3.058 -0.813 0.472) 3.199 31.437 ( -4.537 -3.424 -2.196) 6.094 31.918 ( 2.008 8.900 -0.331) 9.129 32.060 ( 3.086 8.255 2.361) 9.124 32.505 ( 5.222 -8.612 0.210) 10.074 32.853 ( 3.156 -9.843 0.371) 10.343 33.433 ( -4.141 2.310 -2.082) 5.178 34.001 ( -1.542 5.869 -0.907) 6.136 34.444 ( 3.413 34.866 14.456) 37.898 35.323 ( -1.002 -1.277 0.373) 1.666 35.411 ( -0.742 -1.329 0.169) 1.531 35.540 ( -1.079 -0.431 1.549) 1.937 36.080 ( -4.838 -1.169 7.010) 8.597 36.237 ( 0.889 -0.397 -0.927) 1.344 36.245 ( 4.281 -4.122 -12.715) 14.035 36.430 ( -6.500 -18.868 -6.720) 21.057 38.757 ( 9.149 8.483 5.124) 13.487 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.303 -9.943 7.939) 12.931 1.881 ( 3.569 -9.297 4.446) 10.906 2.371 ( 0.345 -1.860 -5.761) 6.064 2.616 ( 2.501 -1.749 8.089) 8.645 2.759 ( 11.564 7.546 9.218) 16.603 2.917 ( -3.133 6.811 1.955) 7.748 3.067 ( -1.521 -9.344 -5.698) 11.050 3.150 ( 1.167 -8.841 -1.060) 8.980 3.432 ( -1.992 -8.115 0.096) 8.356 3.518 ( 3.924 1.235 2.698) 4.920 3.669 ( 4.100 -10.223 -2.268) 11.246 3.712 ( 4.426 -0.266 -8.929) 9.969 3.821 ( -7.777 2.268 -2.032) 8.352 3.880 ( -5.901 -1.041 8.743) 10.599 3.998 ( -0.452 -2.652 2.872) 3.935 4.106 ( 0.559 -0.298 -9.764) 9.785 4.379 ( -0.852 -4.434 -2.606) 5.213 4.732 ( 0.219 0.113 5.861) 5.866 4.809 ( 0.147 0.924 2.147) 2.342 4.994 ( -2.465 -3.931 -3.851) 6.030 5.137 ( -1.412 -1.828 -4.460) 5.023 5.292 ( -6.099 7.022 2.536) 9.640 5.569 ( 6.956 3.201 4.589) 8.927 5.712 ( 2.244 8.669 -3.367) 9.567 5.800 ( -0.294 -7.354 0.527) 7.378 5.890 ( 1.659 4.343 3.262) 5.679 6.134 ( -3.417 4.813 -6.893) 9.075 6.246 ( 4.377 -8.133 3.492) 9.874 6.312 ( -1.827 10.625 -1.576) 10.896 6.565 ( 3.825 -1.225 -0.437) 4.040 7.815 ( 0.852 0.312 2.041) 2.233 7.942 ( -1.135 5.806 -3.716) 6.986 8.197 ( -9.735 4.718 -5.089) 11.955 8.445 ( 6.798 -2.571 11.135) 13.298 8.868 ( 0.021 -2.755 -1.515) 3.144 9.038 ( -6.437 3.003 -1.951) 7.366 9.171 ( -0.089 -3.849 -4.611) 6.007 9.384 ( 1.472 0.664 2.374) 2.871 9.466 ( 1.494 4.922 -0.082) 5.144 9.607 ( -0.266 -0.624 1.392) 1.549 9.873 ( 0.570 -1.649 -3.122) 3.577 9.985 ( 3.628 -1.808 3.270) 5.208 10.205 ( 2.253 3.515 6.293) 7.552 10.265 ( 3.302 8.536 -2.110) 9.392 10.453 ( 1.013 3.084 0.372) 3.267 10.905 ( 4.029 6.737 4.230) 8.917 10.928 ( 1.750 1.527 -0.712) 2.430 11.264 ( -2.584 -3.857 -0.457) 4.665 11.462 ( 3.702 0.910 7.577) 8.482 11.639 ( 0.537 -0.093 -4.988) 5.018 11.741 ( 2.201 2.840 1.986) 4.105 12.035 ( 4.731 -2.200 2.265) 5.688 12.133 ( 4.388 4.037 2.273) 6.381 12.312 ( -6.693 2.231 -5.663) 9.047 12.362 ( -2.350 2.120 -3.155) 4.469 12.515 ( -1.338 6.328 1.385) 6.615 12.710 ( -2.608 6.329 -4.764) 8.340 12.857 ( -3.050 -0.780 0.412) 3.175 13.297 ( -0.471 -0.352 3.839) 3.884 13.446 ( -2.355 -4.519 -6.635) 8.366 13.571 ( -4.272 1.254 -2.262) 4.994 13.871 ( 10.586 -5.458 6.045) 13.357 14.415 ( -10.284 -3.635 -6.784) 12.845 14.675 ( 2.599 9.767 4.240) 10.960 14.877 ( 0.425 -12.409 -2.499) 12.665 15.127 ( 0.080 -6.861 -1.674) 7.062 15.283 ( -2.369 -12.287 -3.639) 13.031 15.426 ( -4.569 -11.495 -2.977) 12.723 16.061 ( 3.582 2.449 8.565) 9.601 16.321 ( 5.305 -3.276 4.024) 7.421 16.406 ( -1.513 6.304 -5.787) 8.690 16.547 ( -7.041 -0.991 -5.399) 8.928 17.048 ( -1.406 -4.420 0.267) 4.646 17.134 ( -0.610 -4.924 -1.066) 5.075 17.396 ( -1.107 -4.115 0.483) 4.288 17.498 ( 2.363 -0.067 0.959) 2.551 20.034 ( 1.130 -0.683 4.544) 4.732 20.142 ( -3.589 -8.909 0.181) 9.606 20.624 ( 0.496 11.830 0.415) 11.847 20.904 ( 0.334 7.391 0.103) 7.399 22.163 ( 1.455 -13.028 -1.691) 13.217 22.615 ( 0.513 -10.414 0.546) 10.440 22.946 ( 0.911 10.506 -0.232) 10.548 23.395 ( 0.337 7.212 0.036) 7.220 27.348 ( 0.986 -19.516 1.148) 19.575 27.462 ( -5.699 -21.345 -3.979) 22.448 28.908 ( -2.383 21.955 -1.408) 22.129 29.404 ( 7.941 12.650 5.499) 15.916 30.727 ( -2.092 -5.166 -2.692) 6.189 30.759 ( -2.673 -11.983 -0.959) 12.315 30.857 ( -4.329 -9.762 -4.149) 11.457 31.380 ( -3.600 -2.646 -0.553) 4.502 31.465 ( -1.087 -2.839 0.556) 3.090 31.761 ( 0.459 9.236 -0.789) 9.282 31.905 ( 1.381 10.773 -0.390) 10.868 32.710 ( 3.871 -9.356 0.653) 10.146 33.081 ( 2.782 -11.763 0.985) 12.127 33.332 ( -3.747 4.093 -1.702) 5.805 33.832 ( -1.132 13.368 5.576) 14.528 33.995 ( 6.826 25.145 3.260) 26.258 35.343 ( -0.884 -1.416 0.341) 1.704 35.442 ( 0.159 -2.328 -0.792) 2.465 35.557 ( -1.035 -1.388 0.979) 1.989 36.101 ( -2.120 -0.795 3.874) 4.487 36.227 ( 3.466 1.115 -4.390) 5.703 36.237 ( -0.845 0.170 -0.170) 0.879 36.738 ( -6.848 -23.121 -5.775) 24.796 38.624 ( 6.066 15.213 3.330) 16.713 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -3.079 2.039 -0.294) 3.705 2.102 ( 0.065 -20.029 0.790) 20.044 2.315 ( -3.831 2.294 -0.828) 4.541 2.550 ( -0.067 12.055 -2.488) 12.309 2.659 ( 2.087 11.917 0.109) 12.099 2.877 ( -1.433 -10.934 9.112) 14.305 3.155 ( -0.984 -5.376 -7.366) 9.172 3.345 ( 3.563 4.701 0.150) 5.901 3.451 ( 1.548 2.346 4.271) 5.113 3.553 ( 2.893 -2.845 -2.397) 4.713 3.658 ( -2.688 2.945 -2.581) 4.750 3.794 ( 3.184 -3.083 2.801) 5.243 3.860 ( -1.911 -6.679 -0.896) 7.005 3.938 ( -1.954 -2.384 10.140) 10.598 4.024 ( 9.161 1.668 -7.625) 12.036 4.155 ( -3.523 -8.747 -4.489) 10.444 4.409 ( 0.377 0.940 0.389) 1.085 4.794 ( 0.647 -2.303 3.602) 4.324 4.851 ( -0.425 -3.325 2.081) 3.945 4.998 ( -3.949 1.506 -1.467) 4.474 5.123 ( -1.957 1.599 0.309) 2.546 5.161 ( -1.322 -4.322 -3.509) 5.722 5.552 ( -0.169 4.437 2.428) 5.061 5.589 ( 3.342 3.278 1.195) 4.832 5.754 ( -0.869 10.527 -0.652) 10.583 5.947 ( 1.636 -4.504 0.692) 4.841 6.053 ( -2.516 -2.614 0.053) 3.628 6.097 ( -0.482 8.103 -3.707) 8.924 6.499 ( 5.152 -9.992 2.926) 11.617 6.588 ( 1.559 1.138 -0.022) 1.931 7.782 ( -2.749 5.257 -3.894) 7.096 7.831 ( 2.773 -0.011 2.008) 3.424 8.036 ( -9.694 1.585 -5.222) 11.125 8.629 ( 7.217 -1.995 9.493) 12.091 8.934 ( 0.907 -3.542 -0.308) 3.669 8.944 ( -3.916 -0.215 -2.818) 4.829 9.242 ( 3.644 -1.155 1.311) 4.041 9.375 ( -2.004 1.166 -2.141) 3.156 9.410 ( 1.333 0.531 2.016) 2.474 9.543 ( -2.756 5.648 -1.701) 6.510 9.872 ( -2.677 -4.535 -3.731) 6.454 10.008 ( 4.902 8.744 2.756) 10.397 10.100 ( 0.351 4.967 1.785) 5.289 10.229 ( -0.131 -2.986 -3.056) 4.274 10.420 ( 1.770 4.879 2.580) 5.796 10.801 ( 1.251 8.858 1.666) 9.100 10.897 ( -0.153 1.913 -0.532) 1.991 11.322 ( -0.752 -3.103 0.402) 3.218 11.458 ( 2.360 5.093 3.734) 6.742 11.610 ( 1.600 3.805 0.323) 4.140 11.706 ( 0.190 3.023 -0.442) 3.061 12.018 ( 2.678 3.716 -3.250) 5.616 12.124 ( -3.888 -2.410 -1.538) 4.826 12.272 ( -2.065 2.943 0.439) 3.622 12.392 ( 0.937 -9.662 1.761) 9.865 12.495 ( 1.474 -2.792 4.794) 5.740 12.588 ( -1.001 1.070 -5.722) 5.907 12.859 ( 0.653 3.083 0.954) 3.293 13.288 ( 1.325 3.103 3.097) 4.580 13.478 ( -3.822 -7.004 -7.100) 10.681 13.553 ( -4.282 -4.275 -0.948) 6.125 13.943 ( 3.466 6.596 2.501) 7.860 14.465 ( 2.493 -0.101 -3.266) 4.110 14.507 ( -5.024 1.524 2.241) 5.709 15.059 ( 1.197 -7.546 -0.501) 7.657 15.241 ( 0.151 -8.115 -0.077) 8.117 15.407 ( -0.853 -1.885 -1.124) 2.354 15.562 ( -0.733 -7.187 -0.869) 7.277 16.079 ( 5.749 2.348 7.794) 9.966 16.278 ( -3.920 2.653 -6.613) 8.132 16.300 ( -3.459 6.090 -1.671) 7.201 16.692 ( 2.138 -15.539 1.571) 15.764 17.111 ( -1.362 -3.950 -0.481) 4.206 17.211 ( 0.287 -3.972 -0.465) 4.009 17.410 ( -0.582 2.444 1.186) 2.778 17.518 ( 0.896 -0.725 -0.338) 1.201 20.093 ( -0.010 -4.119 1.628) 4.429 20.305 ( -1.285 -11.079 -0.128) 11.154 20.407 ( 0.113 12.682 0.092) 12.682 20.765 ( 0.628 8.212 -0.112) 8.236 22.417 ( 1.119 -14.452 -0.300) 14.498 22.746 ( -0.107 9.303 2.042) 9.525 22.828 ( 0.031 -9.964 -1.934) 10.150 23.240 ( 0.131 10.257 0.008) 10.257 27.747 ( -0.056 -22.632 0.281) 22.634 27.789 ( -2.566 -21.819 -1.777) 22.041 28.474 ( -1.424 23.933 -0.958) 23.995 29.260 ( 6.300 12.503 4.559) 14.724 30.793 ( -1.380 -5.555 -1.621) 5.948 30.897 ( -1.544 -7.043 -0.405) 7.222 31.068 ( -0.396 -14.464 -1.362) 14.534 31.390 ( -1.406 -1.050 -0.021) 1.755 31.512 ( 0.287 -1.667 1.110) 2.023 31.587 ( -2.093 8.912 -1.784) 9.327 31.715 ( -0.879 9.216 -1.908) 9.452 32.878 ( 2.568 -4.965 0.851) 5.654 33.186 ( 0.225 6.135 -1.233) 6.262 33.326 ( -0.454 -8.732 1.320) 8.843 33.588 ( 1.828 16.095 9.677) 18.869 33.688 ( 0.323 12.078 -6.588) 13.761 35.359 ( -0.382 -0.731 0.023) 0.826 35.479 ( 0.031 -1.917 -0.275) 1.937 35.579 ( -0.406 -1.244 0.192) 1.322 36.112 ( -0.699 -0.132 0.723) 1.014 36.209 ( 0.768 1.120 -0.770) 1.562 36.248 ( 0.818 -1.418 0.365) 1.677 37.075 ( -3.587 -21.562 -2.359) 21.985 38.372 ( 2.753 17.449 1.492) 17.728 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 16.396 0.000) 16.396 1.985 ( -0.000 22.650 0.000) 22.650 2.416 ( -0.000 10.335 0.000) 10.335 2.592 ( 0.000 -7.045 -0.000) 7.045 2.593 ( 0.000 -24.594 -0.000) 24.594 3.082 ( -0.000 11.041 0.000) 11.041 3.109 ( 0.000 -5.953 -0.000) 5.953 3.127 ( -0.000 14.880 0.000) 14.880 3.410 ( -0.000 3.985 0.000) 3.985 3.547 ( -0.000 3.798 0.000) 3.798 3.658 ( 0.000 -5.496 -0.000) 5.496 3.726 ( -0.000 13.561 0.000) 13.561 3.886 ( -0.000 4.599 0.000) 4.599 4.026 ( 0.000 -4.472 -0.000) 4.472 4.027 ( 0.000 -1.282 -0.000) 1.282 4.277 ( 0.000 -8.311 -0.000) 8.311 4.430 ( 0.000 -5.846 -0.000) 5.846 4.867 ( 0.000 -3.554 -0.000) 3.554 4.869 ( -0.000 1.269 0.000) 1.269 4.949 ( 0.000 -1.931 -0.000) 1.931 5.167 ( 0.000 -3.972 -0.000) 3.972 5.309 ( 0.000 -12.796 -0.000) 12.796 5.488 ( -0.000 5.458 0.000) 5.458 5.582 ( -0.000 0.890 0.000) 0.890 5.627 ( 0.000 -0.643 -0.000) 0.643 5.928 ( -0.000 8.013 0.000) 8.013 5.972 ( -0.000 1.825 0.000) 1.825 6.177 ( 0.000 -7.746 -0.000) 7.746 6.548 ( -0.000 3.529 0.000) 3.529 6.671 ( 0.000 -5.625 -0.000) 5.625 7.696 ( -0.000 2.212 0.000) 2.212 7.895 ( 0.000 -2.673 -0.000) 2.673 7.956 ( 0.000 -1.251 -0.000) 1.251 8.653 ( -0.000 4.329 0.000) 4.329 8.918 ( -0.000 0.466 0.000) 0.466 9.033 ( 0.000 -4.160 -0.000) 4.160 9.220 ( -0.000 4.590 0.000) 4.590 9.296 ( -0.000 3.061 0.000) 3.061 9.422 ( -0.000 4.218 0.000) 4.218 9.519 ( 0.000 -7.788 -0.000) 7.788 9.892 ( -0.000 5.532 0.000) 5.532 9.986 ( 0.000 -7.788 -0.000) 7.788 9.998 ( -0.000 4.070 0.000) 4.070 10.305 ( -0.000 8.306 0.000) 8.306 10.318 ( 0.000 -4.684 -0.000) 4.684 10.655 ( -0.000 6.523 0.000) 6.523 10.879 ( 0.000 -0.676 -0.000) 0.676 11.334 ( -0.000 2.076 0.000) 2.076 11.402 ( -0.000 2.565 0.000) 2.565 11.516 ( -0.000 5.524 0.000) 5.524 11.663 ( -0.000 2.024 0.000) 2.024 11.929 ( -0.000 5.183 0.000) 5.183 12.201 ( 0.000 -5.141 -0.000) 5.141 12.239 ( 0.000 -1.909 -0.000) 1.909 12.519 ( 0.000 -4.584 -0.000) 4.584 12.609 ( 0.000 -0.733 -0.000) 0.733 12.670 ( 0.000 -12.753 -0.000) 12.753 12.732 ( -0.000 8.698 0.000) 8.698 13.251 ( -0.000 2.611 0.000) 2.611 13.594 ( 0.000 -2.316 -0.000) 2.316 13.624 ( 0.000 -12.106 -0.000) 12.106 13.804 ( -0.000 9.123 0.000) 9.123 14.276 ( -0.000 10.969 0.000) 10.969 14.624 ( 0.000 -4.176 -0.000) 4.176 15.136 ( -0.000 1.136 0.000) 1.136 15.408 ( 0.000 -3.283 -0.000) 3.283 15.413 ( 0.000 -10.486 -0.000) 10.486 15.634 ( 0.000 -0.487 -0.000) 0.487 16.038 ( -0.000 10.468 0.000) 10.468 16.203 ( -0.000 6.400 0.000) 6.400 16.212 ( 0.000 -5.922 -0.000) 5.922 16.992 ( 0.000 -15.052 -0.000) 15.052 17.167 ( 0.000 -3.325 -0.000) 3.325 17.269 ( 0.000 -2.295 -0.000) 2.295 17.330 ( -0.000 5.932 0.000) 5.932 17.522 ( -0.000 0.777 0.000) 0.777 20.184 ( -0.000 12.039 0.000) 12.039 20.209 ( 0.000 -8.289 -0.000) 8.289 20.506 ( 0.000 -11.658 -0.000) 11.658 20.621 ( -0.000 8.254 0.000) 8.254 22.546 ( -0.000 12.113 0.000) 12.113 22.673 ( 0.000 -13.342 -0.000) 13.342 23.034 ( 0.000 -12.006 -0.000) 12.006 23.037 ( -0.000 12.391 0.000) 12.391 28.035 ( -0.000 23.911 0.000) 23.911 28.117 ( 0.000 -20.562 -0.000) 20.562 28.202 ( 0.000 -24.032 -0.000) 24.032 29.105 ( -0.000 9.596 0.000) 9.596 30.862 ( 0.000 -2.331 -0.000) 2.331 31.008 ( 0.000 -5.712 -0.000) 5.712 31.239 ( 0.000 -1.878 -0.000) 1.878 31.386 ( -0.000 10.035 0.000) 10.035 31.429 ( 0.000 -3.676 -0.000) 3.676 31.533 ( 0.000 -0.401 -0.000) 0.401 31.606 ( 0.000 -0.856 -0.000) 0.856 32.855 ( -0.000 10.204 0.000) 10.204 33.051 ( -0.000 8.199 0.000) 8.199 33.351 ( -0.000 0.123 0.000) 0.123 33.445 ( -0.000 12.329 0.000) 12.329 33.624 ( 0.000 -10.194 -0.000) 10.194 35.362 ( -0.000 0.237 0.000) 0.237 35.500 ( 0.000 -0.337 -0.000) 0.337 35.593 ( 0.000 -0.265 -0.000) 0.265 36.110 ( -0.000 0.125 0.000) 0.125 36.192 ( -0.000 0.761 0.000) 0.761 36.295 ( 0.000 -3.108 -0.000) 3.108 37.403 ( 0.000 -16.061 -0.000) 16.061 38.100 ( -0.000 13.107 0.000) 13.107 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 12.066 0.000 8.289) 14.639 1.773 ( 25.006 0.000 12.588) 27.996 2.184 ( 1.319 0.000 -7.581) 7.695 2.687 ( -8.544 -0.000 -3.115) 9.094 2.814 ( 21.916 0.000 11.578) 24.786 2.943 ( 4.007 0.000 -0.760) 4.078 2.946 ( -0.102 -0.000 9.150) 9.151 3.012 ( -4.584 -0.000 -3.883) 6.007 3.153 ( -12.558 -0.000 11.604) 17.099 3.356 ( -4.769 -0.000 -5.225) 7.074 3.616 ( 1.489 0.000 0.402) 1.542 3.686 ( -4.858 -0.000 -5.264) 7.163 3.866 ( 7.337 0.000 -1.231) 7.439 3.875 ( 5.267 0.000 -6.949) 8.720 3.922 ( -19.436 -0.000 1.374) 19.484 4.195 ( -7.662 -0.000 -8.124) 11.167 4.205 ( 1.292 0.000 0.783) 1.511 4.785 ( -2.486 -0.000 1.966) 3.170 4.893 ( -2.598 -0.000 -2.658) 3.717 4.933 ( 1.772 0.000 1.549) 2.354 5.083 ( 1.835 0.000 0.378) 1.873 5.394 ( 3.172 0.000 4.931) 5.864 5.614 ( 1.503 0.000 0.129) 1.508 5.654 ( 7.532 0.000 1.654) 7.711 5.764 ( 0.189 0.000 -3.847) 3.852 5.974 ( 6.444 0.000 -4.003) 7.586 6.120 ( -3.404 -0.000 -0.025) 3.405 6.325 ( -3.150 -0.000 -1.135) 3.348 6.497 ( 3.815 0.000 0.180) 3.819 6.581 ( -0.505 -0.000 -0.842) 0.982 7.826 ( 5.463 0.000 3.798) 6.654 8.042 ( 5.628 0.000 2.603) 6.201 8.314 ( -10.200 -0.000 -3.074) 10.653 8.427 ( 0.011 0.000 5.188) 5.188 8.916 ( -13.735 -0.000 -13.796) 19.468 8.947 ( 0.117 0.000 -2.269) 2.272 9.255 ( 1.538 0.000 0.898) 1.781 9.381 ( 3.060 0.000 3.592) 4.718 9.555 ( -1.462 -0.000 -2.105) 2.563 9.561 ( 7.485 0.000 4.755) 8.868 9.800 ( 4.708 0.000 -2.201) 5.197 9.946 ( 3.530 0.000 6.665) 7.542 10.231 ( 1.067 0.000 8.367) 8.435 10.329 ( -0.760 -0.000 0.177) 0.780 10.676 ( 1.682 0.000 1.298) 2.125 10.890 ( 4.060 0.000 -0.731) 4.125 11.096 ( 3.164 0.000 1.114) 3.354 11.199 ( -2.834 -0.000 -1.178) 3.069 11.395 ( 3.705 0.000 0.342) 3.721 11.671 ( 5.147 0.000 -0.993) 5.242 11.839 ( 5.637 0.000 3.932) 6.873 11.845 ( -8.012 -0.000 2.355) 8.351 12.285 ( -8.432 -0.000 -7.864) 11.530 12.378 ( -2.584 -0.000 -3.420) 4.287 12.603 ( 12.095 0.000 2.632) 12.378 12.605 ( -10.963 -0.000 -5.481) 12.257 12.960 ( -0.015 -0.000 2.929) 2.929 12.995 ( -3.781 -0.000 -5.902) 7.009 13.247 ( -0.349 -0.000 4.941) 4.953 13.443 ( -3.760 -0.000 -4.488) 5.854 13.496 ( 6.234 0.000 4.805) 7.870 13.688 ( 2.466 0.000 1.407) 2.839 14.470 ( -9.172 -0.000 -8.522) 12.520 14.510 ( -1.910 -0.000 -0.744) 2.050 14.601 ( -5.654 -0.000 -5.123) 7.630 14.831 ( -2.098 -0.000 -4.605) 5.060 15.021 ( 0.164 0.000 0.223) 0.277 15.271 ( 0.296 0.000 -0.193) 0.353 15.882 ( 1.768 0.000 8.083) 8.274 16.473 ( 2.179 0.000 3.936) 4.498 16.588 ( -2.125 -0.000 -5.751) 6.131 16.636 ( 0.726 0.000 -4.441) 4.500 16.912 ( -1.078 -0.000 0.667) 1.268 17.003 ( -1.528 -0.000 -1.004) 1.828 17.207 ( -0.242 -0.000 -0.704) 0.745 17.498 ( 3.451 0.000 2.570) 4.303 19.970 ( -4.252 -0.000 0.297) 4.262 20.052 ( 3.070 0.000 6.360) 7.062 20.937 ( 0.516 0.000 1.113) 1.227 20.992 ( -0.278 -0.000 0.545) 0.612 21.902 ( 1.273 0.000 -2.040) 2.404 22.382 ( 1.243 0.000 0.346) 1.290 23.223 ( 0.596 0.000 -0.392) 0.713 23.520 ( 0.459 0.000 0.127) 0.477 26.962 ( 0.054 0.000 0.057) 0.079 26.965 ( -0.129 -0.000 -0.080) 0.152 29.444 ( -0.988 -0.000 -0.398) 1.065 29.642 ( 5.360 0.000 3.209) 6.247 30.321 ( -5.062 -0.000 -4.347) 6.672 30.674 ( -3.047 -0.000 -2.219) 3.769 30.713 ( -4.122 -0.000 -3.090) 5.152 31.314 ( -4.822 -0.000 -1.468) 5.040 31.383 ( -1.123 -0.000 0.294) 1.161 32.028 ( 0.613 0.000 -0.088) 0.619 32.183 ( 3.087 0.000 2.810) 4.175 32.451 ( 3.563 0.000 0.222) 3.570 32.773 ( 2.957 0.000 -0.477) 2.995 33.413 ( -3.490 -0.000 -1.645) 3.858 34.035 ( -0.859 -0.000 -1.557) 1.778 34.854 ( -5.923 -0.000 8.374) 10.257 35.301 ( -0.383 -0.000 -0.634) 0.740 35.395 ( -2.658 -0.000 2.669) 3.767 35.551 ( -0.255 -0.000 1.046) 1.076 35.991 ( -0.195 -0.000 -1.258) 1.273 36.102 ( 2.414 0.000 -4.715) 5.297 36.251 ( 4.073 0.000 -4.663) 6.191 36.282 ( -4.791 -0.000 -0.243) 4.797 38.929 ( 7.322 0.000 4.192) 8.438 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 7.550 -1.734 5.381) 9.432 1.873 ( 4.830 8.971 3.646) 10.822 2.249 ( 1.091 -8.425 -3.654) 9.248 2.653 ( 3.391 -6.433 5.788) 9.294 2.834 ( -3.793 -1.317 -5.405) 6.733 2.959 ( 1.311 1.667 3.976) 4.506 3.027 ( 8.878 5.433 6.402) 12.220 3.178 ( -2.173 -0.536 0.634) 2.326 3.215 ( -4.315 -5.349 -5.283) 8.669 3.323 ( -2.331 -18.918 3.773) 19.431 3.632 ( 2.896 0.519 -2.207) 3.678 3.656 ( -0.198 -2.745 -3.038) 4.100 3.782 ( -11.090 1.720 -0.135) 11.224 3.895 ( -0.289 0.312 3.073) 3.102 3.904 ( 1.458 -2.750 -2.296) 3.868 4.087 ( -1.781 1.634 -6.256) 6.706 4.280 ( 1.007 -5.062 0.259) 5.168 4.778 ( -0.169 0.324 1.702) 1.741 4.859 ( -1.064 1.514 0.369) 1.887 4.953 ( 4.259 0.744 3.923) 5.838 5.077 ( -2.346 0.449 -4.655) 5.232 5.376 ( -2.970 4.488 1.530) 5.595 5.652 ( -1.023 -6.469 -1.161) 6.651 5.682 ( 4.436 2.144 1.661) 5.199 5.851 ( 5.918 -2.644 0.983) 6.556 5.955 ( 0.799 6.296 -1.460) 6.512 6.114 ( 1.251 -5.549 0.215) 5.692 6.229 ( -2.997 7.271 -1.535) 8.013 6.484 ( -0.779 7.976 -0.384) 8.023 6.554 ( 1.789 -1.981 -0.299) 2.686 7.879 ( 4.881 2.037 3.503) 6.343 8.038 ( 1.337 5.842 -0.271) 6.000 8.191 ( -8.035 4.089 -3.852) 9.805 8.474 ( 2.586 -3.867 5.723) 7.375 8.777 ( -5.226 -2.217 -5.274) 7.749 8.978 ( -2.283 -3.397 -3.154) 5.167 9.173 ( -0.330 6.930 -0.398) 6.950 9.428 ( 1.888 0.569 2.482) 3.170 9.533 ( 0.113 0.011 -1.750) 1.754 9.620 ( 2.140 0.434 2.241) 3.128 9.816 ( -0.667 -0.235 -2.284) 2.391 10.027 ( 4.770 -1.540 5.157) 7.192 10.252 ( 0.018 1.451 1.362) 1.990 10.393 ( 1.790 -3.985 4.786) 6.480 10.566 ( 0.958 11.537 -3.069) 11.977 10.942 ( 2.773 -0.956 1.750) 3.416 11.078 ( 3.425 5.317 1.410) 6.480 11.186 ( -2.466 -1.883 -0.641) 3.168 11.457 ( 1.801 -3.692 1.017) 4.232 11.678 ( 4.585 3.386 -1.749) 5.962 11.798 ( -4.020 0.211 2.434) 4.704 11.949 ( 5.159 -4.455 3.906) 7.856 12.194 ( -8.365 -0.600 -7.855) 11.491 12.331 ( 0.710 0.711 1.374) 1.702 12.506 ( -9.003 -1.575 -4.788) 10.318 12.569 ( 10.773 16.710 1.525) 19.940 12.814 ( -5.939 4.796 -3.094) 8.237 12.849 ( -2.512 10.802 0.406) 11.098 13.290 ( 0.497 -0.892 4.111) 4.236 13.351 ( -0.988 -0.496 -4.037) 4.186 13.643 ( 0.982 5.041 0.207) 5.140 13.797 ( 6.331 -14.851 6.034) 17.235 14.290 ( -8.996 3.516 -8.453) 12.835 14.603 ( -1.288 -13.560 -1.345) 13.687 14.805 ( 3.042 -0.506 -1.792) 3.566 14.851 ( -2.942 -21.064 0.891) 21.287 15.074 ( -1.630 -4.193 -2.227) 5.020 15.265 ( -0.533 -1.946 0.182) 2.026 16.033 ( 1.877 -9.341 5.797) 11.152 16.417 ( 2.907 7.506 0.847) 8.094 16.490 ( -2.888 6.094 -4.744) 8.246 16.553 ( -0.440 5.574 -0.649) 5.629 16.947 ( -1.381 -4.161 -0.538) 4.417 17.049 ( -0.067 -4.839 0.171) 4.843 17.278 ( -0.347 -6.848 -0.442) 6.872 17.526 ( 1.624 0.341 1.151) 2.019 19.992 ( -2.216 -5.129 0.154) 5.589 20.081 ( 1.365 1.569 3.188) 3.806 20.824 ( 0.235 9.729 0.432) 9.741 21.000 ( -0.038 2.496 0.275) 2.512 21.970 ( 0.662 -7.741 -1.000) 7.833 22.460 ( 0.582 -7.161 0.194) 7.187 23.136 ( 0.555 8.870 -0.049) 8.888 23.494 ( 0.286 3.504 0.099) 3.517 27.069 ( 0.210 -11.834 0.241) 11.838 27.099 ( -1.072 -13.947 -0.723) 14.007 29.247 ( -1.271 17.487 -0.561) 17.542 29.642 ( 3.737 6.137 2.261) 7.533 30.438 ( -1.934 -15.682 -2.086) 15.938 30.657 ( -1.769 -1.588 -1.101) 2.620 30.706 ( -2.536 -3.480 -2.033) 4.762 31.302 ( -2.465 -2.252 -0.735) 3.418 31.406 ( -0.533 -2.877 0.388) 2.952 31.936 ( 0.566 8.889 0.018) 8.907 32.114 ( 1.271 9.799 0.821) 9.915 32.564 ( 1.867 -8.709 0.218) 8.909 32.897 ( 1.658 -10.258 0.171) 10.393 33.362 ( -2.085 2.449 -0.988) 3.364 33.973 ( -0.644 5.373 -0.612) 5.446 34.570 ( 0.416 26.698 4.393) 27.060 35.310 ( -0.640 -1.436 -0.047) 1.573 35.404 ( -0.359 -1.444 0.141) 1.495 35.541 ( -0.336 0.065 0.540) 0.639 36.094 ( -2.049 -0.800 4.113) 4.664 36.206 ( 4.117 -9.566 -3.993) 11.154 36.247 ( 2.014 0.699 -2.636) 3.390 36.285 ( -5.937 -11.868 -1.810) 13.393 38.904 ( 3.738 9.387 2.125) 10.325 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 -6.316 -0.000) 6.316 1.888 ( 0.000 -4.613 -0.000) 4.613 2.338 ( 0.000 -0.353 -0.000) 0.353 2.747 ( 0.000 -3.651 -0.000) 3.651 2.840 ( -0.000 15.741 0.000) 15.741 2.897 ( -0.000 11.529 0.000) 11.529 2.986 ( 0.000 -8.950 -0.000) 8.950 3.205 ( 0.000 -17.579 -0.000) 17.579 3.396 ( 0.000 -8.546 -0.000) 8.546 3.594 ( -0.000 4.529 0.000) 4.529 3.666 ( 0.000 -10.663 -0.000) 10.663 3.708 ( 0.000 -1.174 -0.000) 1.174 3.716 ( 0.000 -4.585 -0.000) 4.585 3.919 ( 0.000 -2.772 -0.000) 2.772 3.978 ( 0.000 -5.976 -0.000) 5.976 4.045 ( -0.000 0.173 0.000) 0.173 4.379 ( 0.000 -4.719 -0.000) 4.719 4.794 ( 0.000 -0.785 -0.000) 0.785 4.839 ( -0.000 0.805 0.000) 0.805 4.959 ( -0.000 0.913 0.000) 0.913 5.061 ( 0.000 -3.137 -0.000) 3.137 5.248 ( -0.000 7.958 0.000) 7.958 5.660 ( -0.000 2.768 0.000) 2.768 5.723 ( -0.000 12.839 0.000) 12.839 5.807 ( 0.000 -9.951 -0.000) 9.951 5.966 ( 0.000 -3.754 -0.000) 3.754 6.005 ( -0.000 14.120 0.000) 14.120 6.285 ( -0.000 12.060 0.000) 12.060 6.317 ( 0.000 -12.548 -0.000) 12.548 6.597 ( 0.000 -1.126 -0.000) 1.126 7.869 ( -0.000 1.669 0.000) 1.669 7.892 ( -0.000 8.706 0.000) 8.706 8.042 ( -0.000 5.690 0.000) 5.690 8.628 ( 0.000 -5.898 -0.000) 5.898 8.823 ( 0.000 -6.124 -0.000) 6.124 8.961 ( -0.000 3.342 0.000) 3.342 9.141 ( 0.000 -5.410 -0.000) 5.410 9.409 ( -0.000 2.441 0.000) 2.441 9.508 ( -0.000 3.875 0.000) 3.875 9.604 ( -0.000 2.636 0.000) 2.636 9.790 ( 0.000 -0.200 -0.000) 0.200 10.115 ( 0.000 -3.563 -0.000) 3.563 10.212 ( -0.000 3.391 0.000) 3.391 10.291 ( -0.000 15.364 0.000) 15.364 10.480 ( 0.000 -0.580 -0.000) 0.580 10.942 ( -0.000 2.364 0.000) 2.364 10.971 ( -0.000 8.390 0.000) 8.390 11.241 ( 0.000 -4.860 -0.000) 4.860 11.559 ( 0.000 -5.805 -0.000) 5.805 11.592 ( -0.000 6.478 0.000) 6.478 11.788 ( -0.000 2.075 0.000) 2.075 12.045 ( 0.000 -0.257 -0.000) 0.257 12.184 ( 0.000 -8.135 -0.000) 8.135 12.234 ( -0.000 15.462 0.000) 15.462 12.363 ( -0.000 3.697 0.000) 3.697 12.495 ( 0.000 -2.883 -0.000) 2.883 12.637 ( -0.000 9.346 0.000) 9.346 12.821 ( 0.000 -4.670 -0.000) 4.670 13.313 ( 0.000 -3.118 -0.000) 3.118 13.378 ( 0.000 -0.304 -0.000) 0.304 13.535 ( -0.000 4.443 0.000) 4.443 14.107 ( -0.000 7.423 0.000) 7.423 14.173 ( 0.000 -17.893 -0.000) 17.893 14.719 ( -0.000 10.113 0.000) 10.113 14.867 ( 0.000 -14.222 -0.000) 14.222 15.121 ( 0.000 -4.959 -0.000) 4.959 15.233 ( 0.000 -17.300 -0.000) 17.300 15.383 ( 0.000 -10.021 -0.000) 10.021 16.190 ( 0.000 -0.934 -0.000) 0.934 16.291 ( -0.000 7.090 0.000) 7.090 16.421 ( -0.000 7.770 0.000) 7.770 16.451 ( 0.000 -9.031 -0.000) 9.031 17.024 ( 0.000 -4.902 -0.000) 4.902 17.136 ( 0.000 -4.501 -0.000) 4.501 17.389 ( 0.000 -4.843 -0.000) 4.843 17.522 ( -0.000 0.938 0.000) 0.938 20.069 ( -0.000 0.319 0.000) 0.319 20.115 ( 0.000 -9.043 -0.000) 9.043 20.631 ( -0.000 11.955 0.000) 11.955 20.907 ( -0.000 7.228 0.000) 7.228 22.165 ( 0.000 -13.394 -0.000) 13.394 22.624 ( 0.000 -10.417 -0.000) 10.417 22.953 ( -0.000 11.168 0.000) 11.168 23.399 ( -0.000 7.254 0.000) 7.254 27.363 ( 0.000 -19.908 -0.000) 19.908 27.399 ( 0.000 -19.775 -0.000) 19.775 28.878 ( -0.000 22.112 0.000) 22.112 29.507 ( -0.000 10.973 0.000) 10.973 30.696 ( 0.000 -3.966 -0.000) 3.966 30.748 ( 0.000 -18.849 -0.000) 18.849 30.772 ( 0.000 -5.780 -0.000) 5.780 31.338 ( 0.000 -2.846 -0.000) 2.846 31.467 ( 0.000 -3.520 -0.000) 3.520 31.760 ( -0.000 10.500 0.000) 10.500 31.915 ( -0.000 12.230 0.000) 12.230 32.744 ( 0.000 -9.784 -0.000) 9.784 33.116 ( 0.000 -12.629 -0.000) 12.629 33.286 ( -0.000 4.762 0.000) 4.762 33.838 ( -0.000 9.093 0.000) 9.093 34.079 ( -0.000 28.503 0.000) 28.503 35.336 ( 0.000 -1.584 -0.000) 1.584 35.438 ( 0.000 -2.343 -0.000) 2.343 35.554 ( 0.000 -1.270 -0.000) 1.270 36.106 ( 0.000 -0.458 -0.000) 0.458 36.230 ( -0.000 1.134 0.000) 1.134 36.237 ( 0.000 -0.257 -0.000) 0.257 36.645 ( 0.000 -23.613 -0.000) 23.613 38.693 ( -0.000 15.857 0.000) 15.857 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 -0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 -0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.650 ( -0.000 -0.000 0.000) 0.000 3.734 ( 0.000 0.000 -0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.925 ( -0.000 -0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.778 ( -0.000 -0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 6.048 ( -0.000 -0.000 0.000) 0.000 6.059 ( 0.000 0.000 -0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.456 ( -0.000 -0.000 -0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.328 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.155 ( -0.000 -0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.740 ( -0.000 -0.000 0.000) 0.000 11.761 ( 0.000 0.000 -0.000) 0.000 11.953 ( -0.000 -0.000 -0.000) 0.000 12.146 ( 0.000 0.000 0.000) 0.000 12.320 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 12.762 ( -0.000 -0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 13.621 ( 0.000 0.000 0.000) 0.000 13.706 ( -0.000 -0.000 0.000) 0.000 14.268 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.803 ( 0.000 0.000 0.000) 0.000 15.025 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.526 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.602 ( 0.000 0.000 0.000) 0.000 16.908 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 19.937 ( 0.000 0.000 0.000) 0.000 20.115 ( 0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 20.994 ( 0.000 0.000 0.000) 0.000 21.901 ( 0.000 0.000 0.000) 0.000 22.394 ( 0.000 0.000 0.000) 0.000 23.225 ( 0.000 0.000 0.000) 0.000 23.526 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 29.429 ( 0.000 0.000 0.000) 0.000 29.708 ( 0.000 0.000 0.000) 0.000 30.258 ( 0.000 0.000 0.000) 0.000 30.635 ( 0.000 0.000 0.000) 0.000 30.658 ( 0.000 0.000 0.000) 0.000 31.269 ( 0.000 0.000 0.000) 0.000 31.376 ( 0.000 0.000 0.000) 0.000 32.032 ( 0.000 0.000 0.000) 0.000 32.224 ( 0.000 0.000 0.000) 0.000 32.480 ( 0.000 0.000 0.000) 0.000 32.795 ( 0.000 0.000 0.000) 0.000 33.373 ( 0.000 0.000 0.000) 0.000 34.018 ( 0.000 0.000 0.000) 0.000 34.856 ( 0.000 0.000 0.000) 0.000 35.293 ( 0.000 0.000 0.000) 0.000 35.390 ( 0.000 0.000 -0.000) 0.000 35.555 ( 0.000 0.000 0.000) 0.000 35.986 ( 0.000 0.000 0.000) 0.000 36.094 ( -0.000 -0.000 0.000) 0.000 36.239 ( 0.000 0.000 0.000) 0.000 36.256 ( 0.000 0.000 -0.000) 0.000 39.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 8.402 0.000 24.778) 26.163 0.641 ( 5.285 0.000 29.315) 29.788 1.090 ( 7.592 0.000 47.762) 48.362 2.194 ( -3.074 -0.000 -9.668) 10.145 2.254 ( 4.817 0.000 9.413) 10.574 2.727 ( 5.661 0.000 3.047) 6.428 2.941 ( -2.458 -0.000 3.066) 3.929 3.200 ( -1.264 -0.000 -8.005) 8.105 3.515 ( 1.218 0.000 3.545) 3.748 3.598 ( 3.618 0.000 -0.936) 3.737 3.651 ( 2.971 0.000 -1.182) 3.197 3.729 ( -0.048 -0.000 -3.585) 3.585 3.900 ( 2.352 0.000 -2.649) 3.543 4.134 ( -0.038 -0.000 -1.501) 1.501 4.159 ( 1.366 0.000 -12.229) 12.305 4.440 ( -2.254 -0.000 0.444) 2.297 4.613 ( -2.146 -0.000 9.645) 9.881 4.783 ( 2.443 0.000 1.398) 2.815 4.938 ( 3.346 0.000 -1.344) 3.606 5.032 ( -14.679 -0.000 0.231) 14.681 5.227 ( -6.017 -0.000 -5.940) 8.456 5.267 ( -1.822 -0.000 -5.801) 6.080 5.419 ( -6.814 -0.000 -1.509) 6.979 5.651 ( -15.735 -0.000 -5.818) 16.776 5.806 ( 3.133 0.000 -5.386) 6.231 5.879 ( 5.181 0.000 -0.532) 5.208 5.983 ( 3.976 0.000 9.644) 10.431 6.304 ( 2.593 0.000 -1.167) 2.844 6.573 ( -0.956 -0.000 -1.155) 1.499 6.587 ( -4.775 -0.000 -3.575) 5.965 7.793 ( 6.855 0.000 11.580) 13.457 8.185 ( -15.071 -0.000 -8.269) 17.191 8.332 ( -2.911 -0.000 -1.475) 3.263 8.486 ( 2.174 0.000 4.057) 4.603 8.869 ( 2.984 0.000 4.657) 5.530 8.958 ( -1.805 -0.000 -0.740) 1.951 9.116 ( 5.752 0.000 2.331) 6.207 9.170 ( 2.364 0.000 -2.846) 3.700 9.449 ( -1.498 -0.000 6.831) 6.993 9.558 ( -3.347 -0.000 -8.163) 8.822 9.651 ( -0.965 -0.000 -6.886) 6.953 9.916 ( 9.718 0.000 5.539) 11.186 10.329 ( 4.178 0.000 -0.009) 4.178 10.371 ( 0.495 0.000 0.661) 0.826 10.545 ( -1.434 -0.000 9.458) 9.566 10.958 ( -6.378 -0.000 -11.897) 13.499 11.115 ( -7.344 -0.000 -6.060) 9.521 11.255 ( -0.017 -0.000 0.515) 0.516 11.432 ( -5.911 -0.000 -0.780) 5.963 11.550 ( 4.037 0.000 8.340) 9.266 11.592 ( 2.237 0.000 -5.017) 5.493 11.682 ( -0.138 -0.000 4.040) 4.042 12.150 ( 3.567 0.000 4.445) 5.699 12.495 ( 6.351 0.000 2.494) 6.824 12.526 ( 2.452 0.000 0.622) 2.530 12.749 ( -15.551 -0.000 0.364) 15.555 12.945 ( -0.524 -0.000 -0.822) 0.975 13.001 ( 6.621 0.000 -7.262) 9.827 13.408 ( 1.066 0.000 6.138) 6.230 13.452 ( -0.184 -0.000 -2.545) 2.552 13.642 ( -0.495 -0.000 -5.467) 5.489 13.663 ( -3.052 -0.000 -5.060) 5.910 14.573 ( 1.823 0.000 -1.877) 2.617 14.582 ( 9.457 0.000 1.230) 9.537 14.684 ( 38.623 0.000 2.864) 38.729 14.801 ( -3.750 -0.000 2.991) 4.796 15.110 ( 1.901 0.000 1.390) 2.355 15.153 ( 1.926 0.000 -2.854) 3.443 15.780 ( 28.984 0.000 5.865) 29.571 16.230 ( -11.773 -0.000 -2.082) 11.956 16.614 ( 1.788 0.000 0.402) 1.833 16.697 ( -0.836 -0.000 -3.242) 3.348 16.959 ( -0.730 -0.000 0.190) 0.755 17.068 ( 1.841 0.000 -5.111) 5.432 17.199 ( 3.342 0.000 3.298) 4.695 17.318 ( -5.527 -0.000 3.479) 6.531 19.780 ( 3.757 0.000 5.920) 7.012 20.155 ( -2.690 -0.000 -0.306) 2.707 20.900 ( 0.041 0.000 1.955) 1.955 21.080 ( -4.077 -0.000 -0.161) 4.080 21.950 ( -12.693 -0.000 1.739) 12.811 22.286 ( 2.340 0.000 -2.389) 3.344 23.213 ( -2.177 -0.000 1.606) 2.705 23.505 ( 0.944 0.000 -2.404) 2.583 26.959 ( 0.034 0.000 0.150) 0.154 26.973 ( -0.069 -0.000 -0.099) 0.121 29.407 ( -0.427 -0.000 1.157) 1.233 29.433 ( -0.929 -0.000 0.719) 1.175 30.774 ( -4.312 -0.000 2.057) 4.777 30.896 ( 3.559 0.000 -2.813) 4.536 30.909 ( -5.516 -0.000 2.782) 6.177 31.200 ( 96.785 0.000 3.256) 96.839 31.499 ( -5.550 -0.000 0.542) 5.577 31.648 ( -2.183 -0.000 -5.159) 5.602 31.927 ( 3.134 0.000 3.682) 4.835 32.115 ( 3.741 0.000 2.719) 4.625 32.668 ( -0.461 -0.000 0.201) 0.503 32.806 ( 50.046 0.000 -1.179) 50.060 33.593 ( -1.445 -0.000 -0.227) 1.463 34.045 ( 1.723 0.000 -6.546) 6.769 35.328 ( -1.284 -0.000 1.487) 1.964 35.488 ( 1.816 0.000 -0.740) 1.961 35.575 ( -0.769 -0.000 2.683) 2.791 36.059 ( 0.707 0.000 -5.341) 5.388 36.233 ( 0.465 0.000 3.406) 3.437 36.520 ( -1.955 -0.000 1.634) 2.548 38.135 ( -87.359 -0.000 0.105) 87.359 38.372 ( 10.463 0.000 -4.161) 11.260 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 9.338 -15.706 24.278) 30.386 1.177 ( 7.025 -34.724 16.465) 39.066 1.573 ( 24.412 -12.329 34.140) 43.743 2.197 ( -2.393 -6.430 -10.127) 12.232 2.452 ( 12.905 -13.019 -0.399) 18.336 2.771 ( 4.086 4.169 10.720) 12.206 2.847 ( -1.566 6.402 3.943) 7.680 3.073 ( 1.576 7.542 -6.590) 10.139 3.513 ( 0.970 2.945 -0.652) 3.169 3.574 ( -4.743 3.498 -1.105) 5.996 3.623 ( 5.297 2.643 0.285) 5.927 3.660 ( -0.263 2.032 -3.999) 4.494 3.930 ( -0.325 -0.250 -1.689) 1.738 4.049 ( -5.198 -0.992 -11.959) 13.078 4.138 ( -1.446 1.134 0.632) 1.943 4.429 ( -6.560 -1.230 -3.298) 7.444 4.667 ( -8.347 -2.168 7.856) 11.666 4.844 ( -2.310 2.967 0.129) 3.763 4.937 ( -3.059 -4.108 -2.939) 5.905 5.041 ( 4.595 -4.542 2.335) 6.870 5.214 ( -2.255 -1.451 -4.170) 4.958 5.278 ( 2.489 -5.321 -3.730) 6.959 5.394 ( 2.634 -4.965 -0.683) 5.662 5.458 ( -15.108 0.969 -5.355) 16.058 5.811 ( 4.093 1.795 -2.345) 5.048 5.857 ( 1.836 4.388 -2.185) 5.234 6.055 ( 4.001 1.506 9.190) 10.136 6.338 ( 3.435 -2.081 -1.672) 4.350 6.479 ( -3.716 5.022 -1.941) 6.542 6.550 ( -3.004 1.157 -4.094) 5.208 7.874 ( -1.050 3.037 3.968) 5.106 7.972 ( -3.188 2.177 1.685) 4.212 8.266 ( -1.471 4.577 1.162) 4.946 8.505 ( -0.016 0.974 2.505) 2.688 8.908 ( 3.370 2.170 2.531) 4.740 9.019 ( 4.941 -3.744 1.241) 6.322 9.166 ( 3.730 -0.261 2.228) 4.352 9.228 ( 4.890 -3.609 -1.748) 6.324 9.429 ( -1.866 2.337 0.041) 2.991 9.534 ( -1.902 -1.315 -4.020) 4.637 9.650 ( 1.253 -4.492 -3.006) 5.548 10.032 ( 8.951 -1.838 2.527) 9.481 10.166 ( -7.159 9.202 4.017) 12.331 10.342 ( -3.536 3.289 -0.401) 4.846 10.546 ( 0.185 4.591 7.880) 9.121 10.857 ( 4.751 6.240 -5.758) 9.729 11.053 ( -9.315 -2.221 -4.080) 10.409 11.261 ( 0.987 0.125 0.248) 1.025 11.386 ( -3.705 -1.131 -0.005) 3.874 11.557 ( 2.819 0.138 -2.229) 3.596 11.611 ( 10.682 4.882 2.987) 12.119 11.717 ( 3.011 2.650 4.783) 6.242 12.128 ( -2.932 2.200 4.626) 5.902 12.450 ( 2.370 6.080 4.550) 7.955 12.523 ( 2.630 2.536 0.822) 3.745 12.673 ( -0.887 -0.458 -0.987) 1.404 12.906 ( -0.623 2.949 -0.900) 3.146 12.956 ( 1.364 4.752 -7.433) 8.927 13.309 ( -3.119 1.315 5.786) 6.704 13.538 ( -2.062 1.629 -1.644) 3.100 13.557 ( 0.623 -2.306 -1.891) 3.046 13.683 ( -2.525 -5.138 -6.338) 8.541 14.427 ( 12.027 8.551 5.535) 15.761 14.579 ( 0.545 0.108 0.471) 0.728 14.780 ( -1.400 -8.037 4.254) 9.200 15.112 ( -3.367 -5.389 -2.952) 7.007 15.286 ( 1.689 -9.861 -3.368) 10.556 15.429 ( -3.375 -20.998 -8.932) 23.067 15.994 ( 7.676 3.948 0.026) 8.632 16.115 ( -1.729 2.340 -2.797) 4.036 16.617 ( -1.753 5.399 -3.554) 6.698 16.790 ( -0.875 -12.084 -14.288) 18.733 16.980 ( 0.815 -4.800 -0.161) 4.871 17.130 ( 0.622 -6.066 -4.274) 7.446 17.290 ( 4.478 -3.215 3.530) 6.547 17.343 ( -1.737 -6.230 0.987) 6.542 19.874 ( 3.733 -2.515 6.755) 8.117 20.142 ( -0.367 -2.370 -2.392) 3.388 20.824 ( -0.812 8.848 2.745) 9.300 21.011 ( -1.137 4.901 0.471) 5.053 21.954 ( -4.341 -6.612 2.850) 8.408 22.373 ( 2.912 -8.256 -2.301) 9.052 23.133 ( -3.328 6.470 1.692) 7.470 23.478 ( 0.717 3.275 -3.525) 4.864 27.050 ( 0.141 -10.360 0.632) 10.380 27.380 ( -9.116 -35.092 -17.304) 40.175 29.290 ( 1.416 13.484 2.508) 13.788 29.340 ( 1.031 10.493 0.502) 10.555 30.786 ( -1.850 -3.075 -1.049) 3.739 30.893 ( -9.839 -4.101 2.652) 10.985 30.917 ( -2.965 -4.311 -1.923) 5.575 31.332 ( 12.683 6.737 6.733) 15.861 31.647 ( -1.170 -4.210 -6.779) 8.065 31.705 ( 10.980 3.946 -3.772) 12.262 31.977 ( 1.778 6.672 1.940) 7.172 32.168 ( 20.907 -5.407 -3.705) 21.910 32.771 ( 2.367 -9.521 0.517) 9.825 33.166 ( 54.173 7.752 -9.322) 55.513 33.555 ( -2.637 2.315 -0.283) 3.520 33.983 ( 1.885 4.077 -7.256) 8.534 35.345 ( -0.982 -1.810 1.593) 2.603 35.478 ( 0.083 1.254 1.110) 1.677 35.593 ( -1.047 -1.022 2.769) 3.132 36.050 ( 1.554 -1.110 -3.561) 4.041 36.300 ( -1.770 -3.673 2.559) 4.814 36.483 ( -5.203 2.310 2.420) 6.186 37.388 ( -60.157 8.531 20.214) 64.034 38.391 ( 13.070 6.843 -1.926) 14.878 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 7.975 -19.213 20.287) 29.057 1.830 ( 1.477 -23.854 15.516) 28.495 2.121 ( 17.786 -7.580 12.642) 23.100 2.269 ( 2.500 -10.982 -8.096) 13.871 2.754 ( -0.571 1.507 7.790) 7.955 2.851 ( 5.246 -6.841 2.935) 9.107 2.925 ( 6.751 -11.711 -1.177) 13.569 2.948 ( 8.606 -6.622 -3.807) 11.507 3.424 ( 1.317 5.631 -5.010) 7.651 3.480 ( -0.254 2.735 -2.631) 3.803 3.590 ( 2.927 3.859 -3.205) 5.808 3.641 ( 4.235 2.099 -0.139) 4.729 3.796 ( -2.167 6.729 -5.823) 9.159 4.025 ( -10.990 1.245 -1.079) 11.112 4.070 ( -0.172 0.931 -0.574) 1.107 4.370 ( -3.511 -0.031 -5.224) 6.294 4.620 ( -14.939 3.634 5.838) 16.446 4.789 ( -2.336 -1.916 3.906) 4.938 4.861 ( -2.337 4.419 -4.804) 6.933 5.059 ( 1.701 3.809 -2.029) 4.639 5.241 ( -4.718 -0.293 -3.555) 5.915 5.305 ( 3.261 -1.744 -2.551) 4.492 5.462 ( -5.692 -10.164 -0.478) 11.658 5.650 ( 7.985 -8.938 1.151) 12.040 5.753 ( 0.796 4.662 -1.562) 4.981 5.779 ( 3.227 2.375 0.435) 4.030 6.093 ( 2.164 2.305 9.605) 10.112 6.320 ( -5.045 6.532 -3.461) 8.950 6.404 ( 1.922 -2.514 -1.171) 3.374 6.454 ( -2.980 2.516 -6.354) 7.456 7.812 ( -1.588 -0.068 0.408) 1.640 7.991 ( -0.969 0.051 -0.490) 1.087 8.228 ( 6.289 4.256 9.190) 11.922 8.451 ( -4.650 2.932 -3.253) 6.388 8.888 ( -2.461 -0.300 0.890) 2.634 9.109 ( 4.545 -0.295 2.346) 5.124 9.198 ( -0.776 1.366 1.734) 2.340 9.338 ( 9.755 -2.905 -2.364) 10.449 9.403 ( -2.001 -2.808 -1.666) 3.829 9.481 ( 0.381 2.259 -2.675) 3.522 9.796 ( 4.076 -7.570 1.132) 8.672 10.003 ( -6.274 5.590 3.852) 9.244 10.101 ( 2.334 3.604 -1.153) 4.446 10.210 ( -0.316 4.722 -0.360) 4.746 10.496 ( -1.135 3.668 2.825) 4.767 10.747 ( 4.234 7.129 -0.554) 8.310 11.001 ( -6.146 0.450 0.691) 6.201 11.297 ( 1.650 -2.145 3.221) 4.207 11.409 ( -1.664 -1.015 3.836) 4.303 11.580 ( 8.878 2.905 -3.336) 9.919 11.633 ( 8.169 0.356 2.202) 8.468 11.679 ( 0.077 1.483 -0.460) 1.555 12.174 ( -2.523 -6.879 1.471) 7.473 12.410 ( 0.427 2.818 3.340) 4.391 12.472 ( -0.041 4.996 -1.585) 5.241 12.594 ( -3.620 4.250 -4.957) 7.466 12.800 ( -4.558 5.731 -5.444) 9.125 12.846 ( 3.361 5.165 0.698) 6.202 13.316 ( -1.869 0.833 5.350) 5.728 13.532 ( -0.772 -1.545 -1.283) 2.151 13.596 ( 3.743 -3.264 0.058) 4.967 13.729 ( -3.132 -6.298 -6.589) 9.638 14.455 ( 10.470 4.798 8.180) 14.126 14.615 ( -1.151 -3.904 0.254) 4.078 14.942 ( -2.196 -8.363 2.092) 8.896 15.184 ( -2.840 -5.403 -2.940) 6.775 15.375 ( -5.146 -5.870 -5.662) 9.644 15.610 ( -4.850 -8.709 -7.312) 12.363 15.950 ( 3.653 4.740 4.382) 7.417 16.131 ( 4.428 -5.262 5.656) 8.905 16.458 ( -1.836 7.552 -3.375) 8.473 16.804 ( -6.302 -3.239 -13.087) 14.882 17.064 ( -0.748 -3.796 1.482) 4.144 17.188 ( -1.524 -4.009 -3.976) 5.849 17.391 ( 3.300 -2.789 1.838) 4.695 17.461 ( -0.984 -4.804 0.272) 4.911 19.986 ( 1.982 -3.594 5.707) 7.030 20.208 ( 1.073 -6.164 -4.686) 7.817 20.646 ( -1.730 11.012 3.038) 11.553 20.879 ( 1.007 9.264 -1.294) 9.408 22.126 ( -0.979 -12.302 2.450) 12.582 22.567 ( 2.857 -11.765 -2.490) 12.360 22.981 ( -4.131 7.999 2.017) 9.226 23.367 ( 1.323 7.418 -2.904) 8.075 27.324 ( 0.604 -18.514 2.487) 18.690 27.747 ( -11.057 -26.303 -16.131) 32.777 28.992 ( -2.302 20.217 0.257) 20.349 29.122 ( 7.179 17.134 3.047) 18.826 30.822 ( -1.570 -3.593 -1.309) 4.134 30.953 ( -6.778 -8.530 -0.143) 10.896 30.980 ( -6.737 -7.155 -0.600) 9.846 31.399 ( 4.027 -1.400 6.449) 7.731 31.583 ( -3.657 5.014 -1.022) 6.289 31.712 ( 3.628 0.051 -4.488) 5.771 31.818 ( 3.421 8.842 -1.564) 9.609 32.418 ( 18.416 -5.833 -5.017) 19.958 32.993 ( 3.573 -11.038 0.829) 11.631 33.272 ( 25.553 9.472 -0.987) 27.270 33.479 ( -2.291 3.574 0.486) 4.272 33.853 ( 1.581 7.266 -7.241) 10.379 35.383 ( -1.272 -1.831 2.379) 3.261 35.480 ( -0.947 -1.076 1.744) 2.257 35.622 ( -1.959 -1.422 3.581) 4.323 36.059 ( 1.502 0.018 -2.421) 2.849 36.328 ( -4.198 -0.298 2.619) 4.957 36.395 ( -9.321 3.408 8.088) 12.803 37.177 ( -23.971 -9.864 3.398) 26.143 38.306 ( 13.377 13.007 -0.912) 18.681 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 6.143 -15.593 14.483) 22.150 2.134 ( -10.412 -7.970 -1.527) 13.201 2.314 ( 12.186 4.889 5.070) 14.075 2.448 ( 3.668 -9.723 -1.443) 10.492 2.689 ( -9.180 1.604 -1.726) 9.477 2.933 ( 2.903 -6.184 8.239) 10.703 3.144 ( 5.044 -5.640 -5.317) 9.248 3.235 ( 1.967 2.032 -4.998) 5.742 3.341 ( -3.055 5.068 -0.137) 5.919 3.452 ( 10.451 -7.269 -7.715) 14.886 3.598 ( 8.823 3.320 -4.444) 10.422 3.652 ( 6.808 -8.127 -2.998) 11.017 3.734 ( 5.348 -2.450 -2.414) 6.358 3.815 ( -11.136 6.943 3.740) 13.646 4.103 ( -2.018 -2.050 4.377) 5.237 4.345 ( 2.318 -1.224 -6.989) 7.464 4.444 ( -14.485 4.653 7.529) 16.975 4.768 ( 1.967 2.677 -2.412) 4.105 4.871 ( -2.029 -3.032 6.084) 7.094 5.003 ( 5.583 2.812 -2.152) 6.611 5.198 ( -1.906 -1.969 -3.408) 4.373 5.321 ( -1.092 3.479 -0.196) 3.652 5.477 ( -4.497 0.405 -1.826) 4.870 5.634 ( -4.035 2.300 1.205) 4.798 5.795 ( 7.373 1.215 3.332) 8.181 5.845 ( -0.935 -2.140 -1.913) 3.019 6.131 ( 1.556 4.917 8.263) 9.740 6.165 ( -5.312 -0.009 -1.902) 5.643 6.348 ( -2.821 -1.215 -4.706) 5.620 6.488 ( 3.843 -3.083 -1.583) 5.175 7.831 ( 0.400 0.034 1.068) 1.141 7.936 ( -5.129 0.457 -6.475) 8.273 8.254 ( 0.866 4.505 4.847) 6.674 8.369 ( 1.970 -0.605 2.776) 3.458 8.911 ( -1.615 -2.902 -0.526) 3.362 9.110 ( -2.707 4.653 -2.073) 5.768 9.150 ( 2.198 0.834 2.665) 3.553 9.393 ( 2.935 -0.078 -0.265) 2.948 9.428 ( -0.647 -2.494 -2.995) 3.951 9.520 ( 6.513 -1.420 0.690) 6.701 9.845 ( 1.802 5.776 1.767) 6.304 9.870 ( -6.371 6.705 0.249) 9.252 10.095 ( 4.727 -7.182 1.247) 8.688 10.217 ( 0.263 -2.721 -3.769) 4.656 10.415 ( -3.291 4.899 1.119) 6.007 10.683 ( 5.166 4.597 1.541) 7.085 10.956 ( -3.448 1.241 2.604) 4.495 11.360 ( 0.624 -0.133 3.463) 3.521 11.411 ( -1.747 1.967 5.004) 5.654 11.546 ( 8.154 5.752 0.799) 10.011 11.641 ( -1.323 -0.812 -3.783) 4.089 11.799 ( 6.973 -7.950 -2.519) 10.871 12.292 ( -3.112 -4.873 -1.919) 6.092 12.323 ( 0.390 3.752 -1.706) 4.141 12.413 ( -2.913 -1.048 2.155) 3.772 12.529 ( -2.712 -1.866 0.354) 3.311 12.620 ( -2.945 6.104 -4.674) 8.233 12.774 ( 4.560 8.095 1.394) 9.395 13.303 ( -1.049 2.103 4.143) 4.763 13.521 ( -2.459 -1.749 -3.451) 4.585 13.744 ( 6.071 -3.765 1.973) 7.411 13.793 ( -2.924 -8.875 -5.621) 10.904 14.438 ( 3.340 9.140 7.147) 12.074 14.645 ( -4.339 -1.937 -3.416) 5.853 15.052 ( -3.332 -6.732 0.595) 7.535 15.253 ( 0.125 -6.724 -0.128) 6.727 15.419 ( -0.886 -2.572 -2.286) 3.553 15.586 ( 0.069 3.875 -2.148) 4.431 15.994 ( -0.932 -5.170 3.603) 6.370 16.298 ( -0.171 5.640 3.614) 6.700 16.370 ( 4.884 -7.097 -0.086) 8.616 16.701 ( -5.326 -0.436 -10.352) 11.650 17.140 ( -0.254 -3.916 2.298) 4.547 17.212 ( -0.853 -1.972 -3.916) 4.467 17.453 ( 2.948 -0.306 1.739) 3.437 17.487 ( -3.316 -0.158 1.047) 3.481 20.098 ( -0.045 -5.468 2.967) 6.221 20.279 ( 2.813 -0.024 -4.446) 5.261 20.482 ( -3.520 3.562 1.919) 5.363 20.704 ( 2.643 10.241 -2.005) 10.765 22.372 ( 0.293 -13.265 2.727) 13.546 22.787 ( 2.853 -10.044 -3.322) 10.957 22.817 ( -4.523 6.342 3.495) 8.538 23.212 ( 1.648 9.598 -2.146) 9.972 27.723 ( 0.926 -22.702 4.115) 23.091 28.006 ( -8.993 -20.779 -11.154) 25.240 28.566 ( -4.320 23.165 -1.408) 23.606 28.903 ( 12.310 17.813 4.292) 22.074 30.886 ( -3.212 -5.832 0.024) 6.658 31.027 ( -6.991 -4.035 1.790) 8.268 31.084 ( -0.856 -9.326 -3.082) 9.859 31.434 ( -0.397 5.192 1.770) 5.500 31.511 ( 0.042 -0.833 4.072) 4.156 31.598 ( 0.971 8.987 0.469) 9.051 31.795 ( -0.720 -4.717 -10.907) 11.905 32.585 ( 17.379 -0.136 -5.195) 18.139 33.154 ( 3.574 0.246 1.525) 3.893 33.288 ( 5.001 -0.574 0.429) 5.052 33.430 ( 0.436 0.470 2.325) 2.412 33.680 ( 0.622 8.126 -6.115) 10.189 35.408 ( -2.034 -0.684 2.772) 3.506 35.511 ( -0.967 -1.706 1.521) 2.482 35.648 ( -3.352 -0.922 5.097) 6.170 36.042 ( 1.379 1.222 -3.117) 3.621 36.277 ( -3.937 1.828 1.254) 4.519 36.364 ( -7.340 -0.229 11.331) 13.503 37.287 ( -9.132 -14.846 -4.640) 18.037 38.141 ( 11.215 14.695 -1.275) 18.530 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -10.742 13.102 -7.215) 18.415 2.150 ( -6.563 10.788 -5.139) 13.633 2.342 ( 5.923 -4.271 6.170) 9.560 2.465 ( -0.117 8.107 -7.005) 10.715 2.721 ( -4.405 -8.479 4.878) 10.728 2.929 ( 4.624 18.782 -0.632) 19.353 3.163 ( 0.206 -9.073 0.951) 9.125 3.250 ( 2.951 -8.371 -2.122) 9.126 3.371 ( -2.643 -3.170 -5.021) 6.500 3.455 ( 1.041 9.667 -7.125) 12.054 3.554 ( 1.263 -0.065 2.234) 2.567 3.715 ( 0.725 -1.176 -2.249) 2.640 3.766 ( 8.820 -3.349 -1.128) 9.502 3.981 ( 1.122 -7.620 1.583) 7.864 4.126 ( -6.273 1.621 10.014) 11.928 4.315 ( 1.815 2.351 -7.211) 7.799 4.407 ( -1.503 -3.533 8.606) 9.423 4.761 ( 4.147 0.406 -0.025) 4.167 4.878 ( 0.935 2.919 -3.271) 4.483 5.088 ( 2.925 -6.748 -0.709) 7.389 5.152 ( -2.596 2.277 0.250) 3.462 5.299 ( -1.353 -6.799 2.893) 7.512 5.454 ( 5.136 2.067 -1.045) 5.634 5.602 ( -4.625 -0.986 1.648) 5.008 5.794 ( -5.944 0.906 -3.307) 6.862 5.797 ( 2.076 4.570 3.734) 6.255 6.023 ( -2.372 5.382 -0.797) 5.935 6.205 ( -2.714 -4.888 2.481) 6.117 6.411 ( 7.232 -1.250 0.834) 7.386 6.567 ( 2.932 -3.532 1.111) 4.723 7.775 ( -4.060 1.590 -4.679) 6.396 7.875 ( -3.797 -0.493 -3.241) 5.016 8.179 ( -4.148 1.785 -1.483) 4.753 8.488 ( 9.349 0.304 8.035) 12.331 8.907 ( 0.940 1.546 -2.912) 3.429 9.041 ( -2.225 -1.473 -0.310) 2.686 9.151 ( 0.957 2.312 2.851) 3.793 9.376 ( -0.769 0.991 -0.194) 1.270 9.505 ( 3.766 -2.680 -3.829) 6.002 9.535 ( -3.480 -0.648 -1.224) 3.746 9.754 ( -0.076 4.644 1.476) 4.873 9.799 ( 3.933 0.497 4.267) 5.825 10.218 ( -3.998 -5.691 -8.022) 10.618 10.243 ( -3.780 1.883 0.250) 4.231 10.349 ( 3.554 -1.875 3.778) 5.516 10.647 ( 2.017 4.059 0.400) 4.550 10.940 ( -2.761 -0.615 2.927) 4.071 11.323 ( 1.473 5.907 1.930) 6.387 11.380 ( -0.583 2.368 3.019) 3.881 11.531 ( 0.258 -0.137 -0.999) 1.041 11.623 ( -0.997 -0.284 -3.480) 3.631 11.947 ( 2.281 -3.823 -0.725) 4.511 12.258 ( -2.493 -3.042 -2.234) 4.523 12.292 ( -2.878 3.778 -0.407) 4.767 12.483 ( 5.377 -1.591 -0.759) 5.659 12.539 ( -0.202 -4.904 1.984) 5.294 12.622 ( 3.257 9.496 0.894) 10.079 12.666 ( 0.098 -7.385 1.241) 7.489 13.276 ( -1.288 2.307 3.219) 4.165 13.537 ( 0.782 -2.465 -2.400) 3.528 13.795 ( 0.398 1.255 0.398) 1.376 13.889 ( -6.887 -7.524 -6.201) 11.937 14.280 ( -2.301 9.106 2.177) 9.641 14.637 ( 1.151 -0.469 -2.100) 2.440 15.134 ( -1.056 -1.713 3.335) 3.895 15.340 ( -1.515 -1.327 -2.797) 3.447 15.479 ( 1.438 -5.807 1.792) 6.245 15.531 ( 4.038 1.541 3.135) 5.340 16.083 ( -2.894 -2.000 0.557) 3.562 16.195 ( 0.300 7.013 2.624) 7.494 16.360 ( -6.249 2.065 -7.037) 9.635 16.801 ( 9.011 -9.327 1.147) 13.019 17.199 ( 1.579 1.791 -1.811) 2.997 17.213 ( -0.861 -3.636 -0.092) 3.738 17.447 ( -4.670 0.837 -0.608) 4.784 17.469 ( 2.640 2.370 2.767) 4.500 20.150 ( 1.585 10.205 -0.954) 10.372 20.217 ( 0.092 -6.027 -1.200) 6.146 20.526 ( 1.454 -0.279 -0.031) 1.481 20.563 ( 0.487 -0.199 -2.368) 2.426 22.583 ( -1.632 -1.075 2.691) 3.326 22.672 ( -1.098 -0.462 3.708) 3.895 23.006 ( 1.779 -9.430 -1.644) 9.736 23.030 ( 0.671 8.388 -2.232) 8.706 28.035 ( -1.420 13.521 -0.180) 13.596 28.225 ( -0.314 -16.461 3.808) 16.899 28.264 ( -7.042 -15.277 -6.506) 18.037 28.734 ( 16.420 15.558 2.622) 22.771 30.952 ( -4.748 -2.785 0.299) 5.513 31.034 ( -0.996 -0.439 2.938) 3.133 31.219 ( -0.025 -4.938 -1.150) 5.070 31.328 ( 0.204 3.950 -1.438) 4.209 31.481 ( -0.371 3.919 -0.347) 3.951 31.559 ( -0.034 -0.388 5.563) 5.576 31.790 ( -6.685 -5.822 -14.109) 16.663 32.610 ( 14.242 7.468 -7.013) 17.544 33.094 ( -1.891 6.138 1.382) 6.569 33.323 ( 1.119 -1.376 -1.622) 2.403 33.423 ( 1.083 8.338 2.222) 8.697 33.624 ( 0.231 -8.135 -2.395) 8.483 35.408 ( -2.419 0.405 2.626) 3.593 35.528 ( -0.776 -0.055 0.754) 1.084 35.656 ( -4.457 0.441 6.464) 7.864 36.012 ( 2.364 1.309 -3.755) 4.626 36.257 ( -0.330 -0.624 1.801) 1.935 36.390 ( -7.180 -1.645 10.983) 13.224 37.453 ( -1.504 -9.259 -3.509) 10.015 37.985 ( 6.047 7.017 -3.302) 9.834 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -15.553 18.716 -3.312) 24.559 1.752 ( -11.713 21.100 -3.739) 24.421 2.280 ( -1.512 4.072 -4.582) 6.314 2.416 ( 11.073 7.158 3.208) 13.570 2.647 ( 6.770 14.874 -0.844) 16.364 2.821 ( -0.111 0.450 3.953) 3.980 3.108 ( -13.244 19.969 -8.894) 25.559 3.155 ( -4.726 7.092 -5.093) 9.928 3.378 ( -3.071 -6.208 -1.699) 7.131 3.453 ( 1.676 -7.538 -0.734) 7.757 3.627 ( 1.802 -6.763 0.493) 7.016 3.736 ( 2.293 -1.974 -0.531) 3.072 3.812 ( -1.892 5.485 0.450) 5.819 4.052 ( 2.957 -2.275 -2.184) 4.323 4.095 ( -5.301 1.124 5.639) 7.820 4.313 ( 7.100 -5.743 -0.225) 9.135 4.582 ( 5.177 -5.482 9.380) 12.034 4.760 ( -0.759 1.593 -3.254) 3.702 4.873 ( 6.137 -3.247 -1.798) 7.172 5.112 ( -1.386 -3.241 2.559) 4.356 5.242 ( 3.957 -2.860 -1.071) 4.998 5.454 ( -6.067 -7.390 -5.823) 11.195 5.507 ( 6.127 2.464 3.171) 7.325 5.579 ( 0.631 -3.706 1.570) 4.074 5.719 ( 0.343 5.887 1.737) 6.147 5.745 ( -7.875 -2.347 -1.863) 8.426 5.921 ( -0.507 3.805 3.114) 4.943 6.311 ( 0.485 -5.961 0.760) 6.029 6.436 ( 2.228 2.095 -0.347) 3.078 6.669 ( 4.573 -2.288 2.438) 5.665 7.717 ( -4.004 -0.079 -4.041) 5.689 7.865 ( 1.201 -2.202 1.597) 2.973 8.118 ( -4.820 -0.430 -3.043) 5.717 8.487 ( 4.822 6.498 -1.207) 8.181 8.934 ( 1.972 -0.336 5.066) 5.447 9.073 ( 0.640 -2.234 -1.203) 2.617 9.130 ( -0.562 0.828 3.065) 3.224 9.343 ( -3.902 0.986 -3.138) 5.103 9.451 ( -6.591 0.799 -0.054) 6.639 9.585 ( 1.246 -3.210 -0.373) 3.463 9.715 ( 6.467 1.641 -1.641) 6.870 9.918 ( 3.894 -3.831 2.358) 5.950 10.129 ( -1.074 4.716 4.258) 6.444 10.218 ( -6.602 -1.970 -4.114) 8.025 10.428 ( -2.628 0.202 -0.227) 2.645 10.615 ( 1.354 -3.906 -2.005) 4.595 10.976 ( -2.416 -4.031 2.726) 5.433 11.255 ( 2.577 4.109 3.443) 5.948 11.375 ( 1.311 -0.317 1.409) 1.950 11.529 ( -4.567 -1.787 -0.294) 4.913 11.591 ( -0.909 0.840 -3.293) 3.517 11.920 ( -5.165 4.014 0.309) 6.549 12.245 ( 0.276 -0.561 -3.346) 3.404 12.333 ( 0.183 -5.157 0.140) 5.162 12.393 ( 2.170 12.594 1.087) 12.826 12.582 ( 5.455 -5.134 -2.984) 8.063 12.696 ( 0.943 -6.251 2.238) 6.706 12.862 ( 2.199 -9.447 2.184) 9.943 13.238 ( -1.781 2.107 3.330) 4.324 13.575 ( 3.636 -0.460 -1.731) 4.053 13.672 ( -5.316 7.074 -2.138) 9.103 13.950 ( -3.972 -6.358 -1.329) 7.614 14.144 ( -5.689 3.284 -2.496) 7.027 14.623 ( 1.417 2.329 -1.263) 3.005 15.075 ( -3.251 7.144 1.322) 7.960 15.419 ( 6.646 -3.418 4.256) 8.600 15.455 ( 3.882 3.294 -0.524) 5.118 15.706 ( -0.252 -6.450 1.349) 6.594 15.941 ( -6.584 7.266 -3.721) 10.487 16.067 ( -0.438 7.540 2.128) 7.847 16.372 ( -1.740 -7.930 -1.077) 8.190 17.032 ( 10.469 -4.987 1.841) 11.741 17.158 ( 4.895 4.228 -0.428) 6.483 17.249 ( -0.268 -2.173 -3.703) 4.302 17.386 ( -5.218 0.697 -2.492) 5.824 17.443 ( 2.427 4.692 3.777) 6.494 19.970 ( 1.153 9.710 -0.301) 9.783 20.270 ( 6.532 2.508 -7.718) 10.417 20.495 ( -1.279 -2.888 4.149) 5.215 20.706 ( 0.023 -10.265 -1.916) 10.442 22.418 ( -5.928 10.360 3.589) 12.464 22.759 ( 2.632 7.783 -2.404) 8.561 22.910 ( -0.439 -4.966 4.369) 6.629 23.214 ( 2.035 -10.845 -2.051) 11.223 27.638 ( -1.374 21.539 -0.240) 21.584 28.484 ( 8.658 -4.725 4.457) 10.824 28.634 ( 4.357 -9.993 1.170) 10.964 28.656 ( 5.590 -10.786 -5.752) 13.442 30.885 ( -4.019 4.965 -1.334) 6.525 31.060 ( 1.060 2.006 3.319) 4.021 31.150 ( 0.405 7.499 0.861) 7.559 31.307 ( -6.180 0.750 -5.317) 8.187 31.494 ( 2.170 -5.618 0.838) 6.081 31.603 ( -1.250 -3.088 4.084) 5.270 31.756 ( -6.546 -5.127 -13.310) 15.694 32.474 ( 8.982 11.474 -10.671) 18.061 32.939 ( -3.387 8.952 -0.007) 9.572 33.214 ( 0.495 11.305 -1.098) 11.369 33.416 ( -0.055 -4.328 3.069) 5.306 33.795 ( 1.253 -9.884 -2.574) 10.290 35.390 ( -2.243 1.121 2.561) 3.584 35.511 ( -0.492 1.499 0.042) 1.579 35.637 ( -4.039 1.876 6.024) 7.491 35.998 ( 3.134 0.529 -2.834) 4.259 36.309 ( 1.642 -2.836 2.978) 4.428 36.423 ( -7.145 -1.473 8.936) 11.536 37.516 ( 1.762 2.012 6.435) 6.968 37.999 ( 0.289 -8.897 -8.026) 11.986 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -13.721 19.129 7.588) 24.734 1.238 ( -14.378 24.002 6.525) 28.730 2.084 ( -8.146 41.440 5.628) 42.607 2.251 ( 0.841 1.238 3.965) 4.238 2.512 ( 8.904 4.993 -3.149) 10.683 2.682 ( 0.698 1.041 -1.635) 2.060 2.839 ( -8.385 16.680 -1.018) 18.697 2.921 ( -2.087 -7.629 -4.529) 9.114 3.462 ( 0.388 -4.453 -4.098) 6.063 3.525 ( -5.926 -3.582 0.032) 6.925 3.684 ( -3.165 3.602 0.112) 4.796 3.746 ( 6.266 -3.619 -6.696) 9.859 3.827 ( 6.191 -3.095 -0.215) 6.924 4.071 ( -1.465 0.914 5.435) 5.703 4.110 ( 4.556 -3.293 -6.319) 8.458 4.533 ( 7.545 -6.341 1.045) 9.911 4.667 ( 0.189 5.320 7.224) 8.973 4.764 ( 0.293 -7.035 -0.621) 7.068 4.994 ( 5.414 -5.368 -4.299) 8.753 5.182 ( 0.797 7.051 3.779) 8.039 5.246 ( 3.219 -1.248 -4.123) 5.377 5.416 ( -4.339 1.463 -2.838) 5.387 5.466 ( 3.000 3.788 2.972) 5.673 5.566 ( -6.945 2.235 0.390) 7.306 5.732 ( 2.923 -1.244 1.203) 3.397 5.784 ( -2.978 -8.951 1.101) 9.497 5.937 ( -3.874 -2.815 2.119) 5.237 6.360 ( 1.475 2.233 -3.353) 4.290 6.449 ( -1.246 -4.944 1.504) 5.316 6.709 ( 1.025 0.744 -1.714) 2.131 7.663 ( -2.269 0.674 0.292) 2.384 8.012 ( 5.791 -7.028 5.938) 10.871 8.091 ( -4.589 -2.574 -2.114) 5.670 8.421 ( 6.344 3.997 -0.533) 7.517 8.913 ( -10.133 -0.097 0.251) 10.137 9.056 ( -2.321 0.771 -0.649) 2.530 9.187 ( 1.998 1.993 4.104) 4.981 9.248 ( 1.068 2.969 -0.694) 3.230 9.418 ( -5.702 -1.115 1.237) 5.940 9.645 ( -2.010 -3.879 -2.292) 4.934 9.757 ( 2.976 -1.833 -2.697) 4.415 9.882 ( 4.197 7.864 -0.326) 8.920 10.084 ( -3.757 4.365 -0.780) 5.811 10.258 ( 1.898 -5.345 8.235) 9.999 10.387 ( -4.906 -2.847 -0.845) 5.735 10.769 ( 3.092 -9.887 -1.831) 10.520 11.082 ( -1.757 -7.758 2.631) 8.378 11.261 ( 1.094 -0.431 4.740) 4.884 11.408 ( 2.119 -0.306 0.092) 2.143 11.512 ( -9.012 -2.201 0.390) 9.285 11.563 ( 1.560 0.185 -3.135) 3.506 11.796 ( -5.702 4.366 -0.372) 7.191 12.157 ( 2.304 8.246 -0.449) 8.574 12.309 ( -1.581 -1.864 0.648) 2.529 12.427 ( 0.344 -4.425 0.004) 4.439 12.682 ( 3.676 -0.311 -2.694) 4.568 12.778 ( 0.216 -4.340 -2.251) 4.893 12.993 ( 2.046 -3.096 -2.658) 4.565 13.256 ( -1.166 -1.662 7.406) 7.679 13.543 ( -2.648 0.851 -1.336) 3.086 13.577 ( 3.707 2.257 -2.227) 4.878 13.957 ( 2.230 7.793 2.423) 8.461 14.091 ( -10.508 -9.495 -5.787) 15.299 14.582 ( 0.391 1.918 0.020) 1.957 14.910 ( -3.416 8.319 1.447) 9.109 15.352 ( 6.445 9.820 2.474) 12.004 15.481 ( -4.938 10.597 -4.364) 12.479 15.665 ( 7.660 1.554 1.505) 7.960 15.844 ( -0.751 1.122 -3.352) 3.614 16.091 ( -3.454 -8.808 3.126) 9.964 16.521 ( 0.402 -9.067 -0.728) 9.105 17.051 ( 1.724 4.990 -1.854) 5.596 17.179 ( 7.897 2.967 0.283) 8.441 17.253 ( 5.748 0.509 -7.370) 9.360 17.300 ( 1.437 5.315 -8.733) 10.324 17.392 ( 0.231 4.531 5.250) 6.939 19.832 ( 1.569 6.832 0.828) 7.059 20.188 ( 7.931 6.399 -6.516) 12.096 20.628 ( -2.253 -9.421 3.234) 10.212 20.878 ( 0.736 -9.203 -0.896) 9.275 22.209 ( -8.497 8.632 4.078) 12.780 22.553 ( 1.215 11.795 -2.914) 12.210 23.071 ( 0.209 -7.216 3.632) 8.081 23.397 ( 2.528 -8.677 -2.317) 9.330 27.286 ( -0.413 16.874 0.319) 16.882 28.457 ( 33.325 21.872 -12.100) 41.658 28.841 ( -2.510 -19.245 -1.469) 19.464 29.037 ( -2.032 -20.057 1.955) 20.254 30.691 ( -7.969 9.961 -6.050) 14.119 30.995 ( 0.896 5.539 -0.940) 5.689 31.038 ( 1.090 6.357 1.672) 6.663 31.151 ( -9.397 6.767 -1.345) 11.658 31.649 ( 2.239 -7.895 2.094) 8.469 31.664 ( 1.124 -1.068 -6.790) 6.965 31.779 ( -2.840 -9.266 -0.831) 9.727 32.229 ( 7.605 15.040 -15.909) 23.176 32.745 ( -2.098 10.103 2.007) 10.512 33.001 ( -0.633 12.253 1.499) 12.361 33.513 ( 0.256 -4.397 1.351) 4.607 33.943 ( 1.400 -7.423 -4.112) 8.600 35.366 ( -1.713 1.329 2.418) 3.247 35.478 ( -0.421 1.422 0.055) 1.484 35.602 ( -2.566 2.173 4.488) 5.608 36.010 ( 3.201 -0.537 -1.412) 3.540 36.393 ( -2.506 -0.538 7.143) 7.589 36.420 ( -0.367 -0.750 0.523) 0.985 37.593 ( -10.314 -8.882 21.834) 25.729 38.152 ( 1.642 -11.365 -9.043) 14.616 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -3.428 21.730 16.247) 27.348 0.875 ( -7.253 18.503 28.745) 34.946 1.196 ( -16.295 43.484 16.111) 49.152 2.228 ( 0.271 5.402 12.166) 13.315 2.389 ( -4.436 11.546 -6.815) 14.123 2.658 ( 3.369 -3.126 -2.655) 5.308 2.816 ( -0.039 -9.942 3.079) 10.408 3.103 ( 3.715 -12.342 -4.553) 13.669 3.499 ( -2.409 -1.157 2.002) 3.339 3.528 ( 5.524 -0.965 -3.642) 6.687 3.639 ( -0.715 0.270 -0.952) 1.221 3.763 ( 2.646 0.873 -8.724) 9.158 3.895 ( 5.998 0.096 -1.489) 6.181 4.096 ( 1.808 0.013 5.152) 5.460 4.168 ( 3.824 -3.526 -9.126) 10.504 4.548 ( 1.655 5.727 -3.115) 6.726 4.635 ( -0.349 4.232 8.710) 9.690 4.878 ( -4.906 1.547 -0.488) 5.167 4.922 ( 3.139 5.262 -0.373) 6.138 5.092 ( -1.330 0.040 -7.134) 7.257 5.288 ( -6.946 -0.935 2.803) 7.549 5.304 ( 0.870 -0.794 -4.502) 4.653 5.445 ( -2.324 -0.523 1.544) 2.839 5.645 ( -1.243 -7.725 0.879) 7.873 5.802 ( 5.549 -1.681 0.379) 5.811 5.897 ( -1.893 -4.205 4.784) 6.645 5.901 ( -8.471 1.056 -4.934) 9.860 6.310 ( 1.783 2.009 -1.355) 3.008 6.534 ( -1.722 -4.726 -0.539) 5.059 6.658 ( -2.582 1.398 -4.472) 5.350 7.690 ( 3.819 -0.130 8.081) 8.939 8.118 ( -5.585 -9.036 -2.331) 10.876 8.248 ( 4.941 -8.453 8.727) 13.116 8.421 ( 5.671 2.949 2.037) 6.709 8.857 ( -11.307 -4.139 0.825) 12.070 9.029 ( -1.888 2.480 1.981) 3.694 9.108 ( 1.301 4.203 -0.811) 4.473 9.214 ( 0.096 3.632 -1.626) 3.981 9.422 ( -3.649 -1.595 4.105) 5.719 9.643 ( -4.617 0.055 -6.739) 8.169 9.710 ( 0.839 2.043 -5.087) 5.546 9.852 ( 4.088 1.990 3.887) 5.982 10.076 ( 4.600 -4.083 9.947) 11.695 10.356 ( 3.919 -0.266 1.506) 4.206 10.466 ( -3.896 -5.425 7.716) 10.205 10.943 ( -1.221 -10.017 -5.942) 11.710 11.203 ( -4.845 -4.597 1.262) 6.798 11.312 ( -4.809 -1.851 -2.385) 5.678 11.397 ( 4.993 2.530 1.672) 5.841 11.487 ( -9.155 -2.582 4.216) 10.405 11.579 ( -0.359 -4.166 -2.515) 4.880 11.694 ( -4.047 2.114 -0.307) 4.577 12.099 ( 1.568 0.697 1.439) 2.240 12.365 ( -1.013 -4.614 4.927) 6.826 12.487 ( 1.832 -2.005 -0.948) 2.876 12.642 ( 4.148 1.004 1.333) 4.471 12.881 ( 3.576 -5.078 -2.091) 6.554 13.003 ( 3.312 1.654 -3.336) 4.983 13.284 ( -4.465 0.200 7.409) 8.652 13.539 ( 2.774 2.914 -1.854) 4.430 13.587 ( -0.412 -5.690 -2.380) 6.182 13.811 ( -2.824 6.751 -3.692) 8.197 14.194 ( 1.591 -7.030 1.660) 7.396 14.575 ( 0.041 -0.994 -0.095) 0.999 14.757 ( -1.475 8.186 3.084) 8.872 15.202 ( -2.943 10.658 -2.394) 11.313 15.234 ( 3.422 8.021 -0.681) 8.747 15.597 ( -3.858 9.686 -2.773) 10.789 15.797 ( 21.666 17.716 -18.128) 33.345 16.219 ( -4.522 -6.844 1.570) 8.352 16.663 ( 0.376 -5.996 -1.517) 6.197 16.935 ( 9.782 17.249 -18.305) 26.987 17.001 ( 5.975 15.554 -12.009) 20.539 17.136 ( 2.936 4.636 -2.804) 6.162 17.215 ( 0.814 3.861 0.578) 3.988 17.351 ( -3.299 2.163 4.940) 6.322 19.765 ( 2.825 3.781 2.890) 5.535 20.141 ( 3.222 0.533 -0.894) 3.386 20.803 ( -0.500 -8.718 2.432) 9.065 21.022 ( -0.374 -6.652 0.600) 6.690 22.051 ( -12.227 1.975 3.066) 12.759 22.364 ( 1.709 8.219 -2.612) 8.792 23.179 ( -2.629 -4.137 1.441) 5.109 23.510 ( 1.813 -3.220 -4.278) 5.653 27.046 ( -0.102 9.689 0.171) 9.691 27.874 ( 11.517 52.396 -50.662) 73.788 29.214 ( 7.703 -16.321 5.601) 18.897 29.329 ( -1.589 -12.247 1.386) 12.427 30.473 ( 22.610 9.453 12.258) 27.401 30.895 ( -0.588 6.897 1.418) 7.065 30.951 ( 1.517 4.582 -2.631) 5.497 30.971 ( -2.975 5.750 5.481) 8.482 31.609 ( 2.789 3.291 -6.186) 7.541 31.817 ( -3.384 -5.964 -0.770) 6.901 31.883 ( 10.450 17.272 -6.306) 21.149 31.974 ( 2.289 -8.911 0.423) 9.210 32.617 ( 7.338 6.845 5.621) 11.502 32.798 ( 0.578 10.969 2.029) 11.170 33.579 ( -0.357 -2.366 0.281) 2.409 34.030 ( 1.472 -4.035 -5.482) 6.964 35.343 ( -1.291 1.289 1.762) 2.537 35.468 ( 0.067 -0.561 0.268) 0.626 35.577 ( -1.286 1.284 3.278) 3.748 36.046 ( 2.387 -1.685 -1.423) 3.250 36.307 ( -0.434 6.955 -0.055) 6.969 36.492 ( 0.500 -2.414 2.589) 3.575 38.000 ( -37.313 -40.051 25.827) 60.526 38.305 ( 3.555 -8.379 -6.585) 11.235 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 19.843 0.000 21.477) 29.240 1.139 ( 14.922 0.000 25.959) 29.942 1.890 ( 28.462 0.000 28.325) 40.155 2.073 ( 4.414 0.000 -8.440) 9.525 2.431 ( 16.321 0.000 -7.835) 18.104 2.911 ( 2.780 0.000 13.345) 13.632 2.935 ( -3.318 -0.000 3.135) 4.564 3.093 ( 0.296 0.000 -9.197) 9.202 3.536 ( -5.260 -0.000 -1.524) 5.476 3.588 ( -9.690 -0.000 -3.915) 10.451 3.648 ( 1.081 0.000 4.879) 4.997 3.659 ( 1.851 0.000 0.469) 1.910 3.856 ( -4.532 -0.000 -1.480) 4.767 3.926 ( -5.860 -0.000 -16.113) 17.146 4.142 ( -1.485 -0.000 2.401) 2.823 4.368 ( -3.294 -0.000 -6.161) 6.987 4.617 ( -13.471 -0.000 8.576) 15.970 4.838 ( 0.510 0.000 0.398) 0.647 4.920 ( -0.134 -0.000 4.477) 4.479 4.989 ( 1.183 0.000 -1.821) 2.171 5.166 ( 1.798 0.000 2.786) 3.316 5.269 ( -17.200 -0.000 -4.805) 17.859 5.315 ( 10.803 0.000 -4.922) 11.872 5.360 ( 4.257 0.000 -2.427) 4.901 5.862 ( 4.487 0.000 -2.117) 4.961 5.889 ( 0.765 0.000 -4.671) 4.734 6.129 ( 1.779 0.000 5.996) 6.254 6.337 ( 4.336 0.000 -1.425) 4.564 6.471 ( -5.965 -0.000 -1.643) 6.187 6.560 ( 1.023 0.000 -0.589) 1.180 7.881 ( -10.693 -0.000 -3.115) 11.137 7.962 ( 0.964 0.000 2.587) 2.761 8.332 ( 3.503 0.000 6.594) 7.467 8.518 ( -2.231 -0.000 0.495) 2.286 8.935 ( 0.114 0.000 -1.491) 1.495 9.101 ( 12.226 0.000 5.070) 13.235 9.183 ( 4.825 0.000 -6.357) 7.981 9.249 ( 5.530 0.000 4.555) 7.165 9.396 ( -6.673 -0.000 -5.874) 8.890 9.509 ( 0.989 0.000 -1.699) 1.966 9.616 ( 3.823 0.000 2.763) 4.717 10.027 ( -3.526 -0.000 -0.958) 3.654 10.247 ( -0.182 -0.000 3.546) 3.551 10.344 ( -3.942 -0.000 0.884) 4.040 10.637 ( 0.227 0.000 5.979) 5.984 10.928 ( -6.982 -0.000 -3.966) 8.030 10.950 ( 8.427 0.000 -5.492) 10.059 11.279 ( 2.682 0.000 0.266) 2.695 11.314 ( -5.565 -0.000 -3.357) 6.499 11.569 ( 3.199 0.000 -3.143) 4.484 11.732 ( 0.992 0.000 3.965) 4.087 11.838 ( 15.620 0.000 3.735) 16.060 12.229 ( -1.481 -0.000 6.041) 6.220 12.525 ( -2.513 -0.000 -2.041) 3.238 12.565 ( -7.724 -0.000 -0.567) 7.745 12.655 ( 5.835 0.000 3.039) 6.579 12.929 ( 0.957 0.000 -0.271) 0.995 12.989 ( 2.889 0.000 -7.643) 8.170 13.371 ( -6.678 -0.000 2.850) 7.261 13.417 ( 0.329 0.000 -2.896) 2.915 13.568 ( -2.872 -0.000 -4.606) 5.428 13.600 ( 1.093 0.000 -1.016) 1.492 14.572 ( 0.597 0.000 -1.745) 1.845 14.574 ( -1.394 -0.000 -1.696) 2.196 14.774 ( -4.196 -0.000 2.561) 4.916 14.984 ( 4.809 0.000 -1.353) 4.996 15.078 ( -6.036 -0.000 -7.214) 9.405 15.204 ( 5.522 0.000 -1.070) 5.625 15.987 ( -12.048 -0.000 0.154) 12.049 16.218 ( 20.275 0.000 -1.750) 20.350 16.627 ( 0.321 0.000 -2.987) 3.004 16.638 ( -1.347 -0.000 -2.895) 3.193 16.954 ( -1.140 -0.000 0.852) 1.423 17.039 ( 0.641 0.000 -3.311) 3.373 17.260 ( -4.525 -0.000 0.895) 4.613 17.334 ( 6.915 0.000 4.451) 8.223 19.930 ( 4.547 0.000 8.319) 9.481 20.092 ( -3.080 -0.000 -2.495) 3.964 20.926 ( 0.096 0.000 2.403) 2.405 21.036 ( -2.829 -0.000 1.689) 3.295 21.881 ( -2.307 -0.000 1.883) 2.978 22.306 ( 3.351 0.000 -1.893) 3.848 23.212 ( -0.397 -0.000 1.548) 1.598 23.492 ( 1.199 0.000 -2.404) 2.686 26.961 ( -0.012 -0.000 0.190) 0.190 26.970 ( -0.153 -0.000 -0.108) 0.188 29.437 ( 0.553 0.000 0.289) 0.624 29.461 ( 4.218 0.000 2.762) 5.041 30.665 ( -14.343 -0.000 1.940) 14.473 30.802 ( -5.636 -0.000 -2.892) 6.335 30.845 ( -2.905 -0.000 -3.373) 4.451 31.433 ( -2.459 -0.000 -0.003) 2.459 31.514 ( -6.226 -0.000 -4.947) 7.952 31.903 ( 15.891 0.000 -4.275) 16.455 32.044 ( 4.869 0.000 4.560) 6.671 32.245 ( 9.270 0.000 0.551) 9.287 32.677 ( 1.727 0.000 -0.446) 1.784 33.550 ( -3.716 -0.000 -0.151) 3.720 33.698 ( 74.878 0.000 -38.758) 84.314 33.995 ( 2.929 0.000 -8.444) 8.937 35.324 ( -1.228 -0.000 1.276) 1.771 35.511 ( 1.980 0.000 -0.709) 2.103 35.592 ( -0.738 -0.000 2.578) 2.682 35.999 ( 0.016 0.000 -5.655) 5.655 36.281 ( -1.270 -0.000 5.917) 6.052 36.466 ( -5.679 -0.000 -0.071) 5.679 37.067 ( -70.556 -0.000 31.506) 77.271 38.564 ( 15.221 0.000 1.116) 15.261 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 9.290 -12.373 20.479) 25.666 1.555 ( 13.748 -17.394 18.317) 28.759 2.081 ( 5.882 -6.746 -12.303) 15.214 2.314 ( 25.270 -3.106 16.987) 30.606 2.625 ( 15.513 -12.106 -5.497) 20.430 2.840 ( -2.444 3.393 0.476) 4.209 2.930 ( 0.538 5.482 5.545) 7.816 3.044 ( 4.682 3.657 -4.077) 7.205 3.447 ( -3.368 1.884 -4.513) 5.938 3.495 ( -7.391 -0.318 3.461) 8.168 3.659 ( 2.805 0.812 -0.756) 3.017 3.700 ( -2.064 4.211 -5.876) 7.518 3.798 ( -1.821 -2.635 -8.349) 8.943 3.835 ( -7.772 -4.230 -1.055) 8.911 4.135 ( -1.658 2.141 4.382) 5.151 4.306 ( -3.094 -0.467 -7.647) 8.262 4.541 ( -19.690 -0.730 6.759) 20.831 4.812 ( -1.760 3.746 4.088) 5.818 4.867 ( -1.694 1.845 -1.245) 2.797 5.051 ( -6.999 -2.011 -1.379) 7.411 5.139 ( -6.775 -2.876 -4.041) 8.396 5.286 ( 6.498 -4.875 3.686) 8.920 5.382 ( 11.528 1.161 0.980) 11.628 5.526 ( 11.357 -11.141 -0.215) 15.910 5.827 ( 0.982 3.987 -4.715) 6.252 5.841 ( -0.872 1.830 -1.773) 2.693 6.154 ( -0.594 0.438 2.729) 2.827 6.357 ( -2.614 3.419 -2.294) 4.877 6.400 ( 1.761 0.490 -0.798) 1.994 6.518 ( 0.913 5.223 0.200) 5.306 7.806 ( -1.851 0.262 1.414) 2.344 7.974 ( -0.699 0.093 -1.214) 1.404 8.392 ( 5.022 2.150 9.223) 10.720 8.454 ( -5.684 3.561 -3.723) 7.672 8.884 ( -1.536 2.412 -1.509) 3.233 9.142 ( 0.189 0.937 -1.538) 1.811 9.205 ( -2.400 -0.066 -3.026) 3.863 9.339 ( 6.450 -2.695 0.072) 6.991 9.375 ( 6.738 -1.921 2.326) 7.383 9.497 ( 1.623 0.478 -3.158) 3.583 9.724 ( 4.700 -4.678 3.697) 7.592 9.989 ( -5.670 0.098 0.988) 5.757 10.236 ( 4.667 4.261 2.283) 6.719 10.311 ( -0.464 3.470 3.313) 4.820 10.576 ( -2.499 6.512 -0.669) 7.007 10.913 ( 3.395 3.403 -1.866) 5.157 10.931 ( -0.708 -0.570 2.637) 2.789 11.265 ( -1.974 -1.262 -1.162) 2.615 11.363 ( 2.304 -5.597 0.205) 6.056 11.569 ( 3.210 0.707 -3.112) 4.527 11.728 ( 3.460 3.307 2.832) 5.561 11.962 ( 16.121 4.487 3.189) 17.035 12.109 ( -5.347 7.337 5.073) 10.400 12.449 ( -4.622 1.684 -2.050) 5.329 12.504 ( -5.875 1.686 -5.708) 8.364 12.651 ( 0.971 4.738 0.770) 4.898 12.860 ( -0.101 6.557 -1.760) 6.790 12.941 ( 1.294 3.530 -3.699) 5.274 13.331 ( -2.076 0.193 5.915) 6.272 13.441 ( -4.761 -4.100 -4.995) 8.027 13.564 ( 2.882 -3.359 0.646) 4.473 13.640 ( 1.818 -1.286 -0.764) 2.354 14.529 ( -0.881 -0.913 -1.385) 1.878 14.615 ( 3.088 -0.466 -2.513) 4.009 14.797 ( -3.909 -5.464 4.539) 8.108 14.991 ( -6.974 -10.025 -3.977) 12.844 15.190 ( -4.328 -7.551 -9.909) 13.189 15.306 ( -2.039 -11.312 -2.399) 11.742 15.986 ( -1.797 -5.265 5.217) 7.627 16.238 ( 9.697 8.253 0.621) 12.748 16.548 ( -1.556 6.201 -4.098) 7.594 16.641 ( -3.347 -2.699 -5.905) 7.304 16.994 ( -0.656 -4.471 0.846) 4.597 17.078 ( -1.432 -4.192 -2.743) 5.210 17.300 ( -1.430 -6.729 -0.568) 6.903 17.427 ( 4.829 -1.826 4.006) 6.535 20.011 ( 3.189 -0.334 7.079) 7.771 20.086 ( -2.269 -3.851 -3.580) 5.727 20.839 ( -1.214 9.235 2.769) 9.718 21.003 ( -0.285 4.086 -0.025) 4.096 21.947 ( -0.685 -7.613 1.870) 7.869 22.398 ( 3.274 -7.804 -1.901) 8.673 23.130 ( -0.827 8.414 2.762) 8.895 23.462 ( 1.579 3.497 -2.427) 4.540 27.063 ( 0.172 -11.437 1.156) 11.497 27.178 ( -3.833 -20.545 -4.967) 21.482 29.297 ( -1.294 14.884 -0.313) 14.944 29.433 ( 7.015 8.971 3.023) 11.783 30.662 ( -13.581 -11.321 -0.901) 17.704 30.759 ( -3.962 -1.157 -1.963) 4.570 30.834 ( -3.981 -3.757 -3.357) 6.421 31.414 ( -1.290 -0.652 2.393) 2.796 31.486 ( -5.984 -3.757 -4.777) 8.529 31.856 ( 6.436 9.014 -0.247) 11.079 32.029 ( 2.873 9.341 1.193) 9.845 32.386 ( 11.036 -7.601 -0.787) 13.424 32.807 ( 2.504 -10.866 -0.018) 11.150 33.496 ( -4.384 2.558 0.271) 5.083 33.806 ( 49.200 17.331 -26.336) 58.435 33.930 ( 2.839 4.313 -8.504) 9.949 35.344 ( -1.283 -2.218 1.226) 2.840 35.492 ( -0.264 1.886 1.370) 2.346 35.607 ( -1.774 -0.787 3.507) 4.008 36.021 ( 1.697 -3.471 -5.411) 6.649 36.310 ( -3.154 -0.550 4.689) 5.678 36.406 ( -7.774 1.291 3.677) 8.696 36.826 ( -41.244 -7.020 20.232) 46.472 38.615 ( 14.395 8.413 1.815) 16.772 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.725 -15.518 12.490) 20.106 1.939 ( 1.411 -10.234 11.900) 15.758 2.240 ( 6.493 -10.302 -7.559) 14.333 2.530 ( 10.846 4.521 2.844) 12.090 2.775 ( 2.065 7.613 3.845) 8.775 2.910 ( 3.804 -5.141 -2.396) 6.829 2.949 ( 3.890 -12.859 -6.654) 14.992 3.091 ( 8.597 -7.500 -3.419) 11.910 3.369 ( -0.883 -0.427 -6.779) 6.849 3.515 ( 2.833 2.567 2.817) 4.749 3.593 ( 3.007 0.926 -5.309) 6.172 3.618 ( -2.029 -2.606 -0.746) 3.386 3.770 ( 5.282 0.565 -5.392) 7.569 3.884 ( -3.357 1.658 0.121) 3.746 4.098 ( -1.035 1.640 6.614) 6.893 4.265 ( -6.516 -2.318 -2.675) 7.415 4.429 ( -13.434 0.536 4.563) 14.198 4.786 ( -1.254 0.961 -0.930) 1.833 4.848 ( -0.805 -1.152 8.289) 8.408 5.010 ( -4.388 -1.055 -3.837) 5.924 5.120 ( -2.892 -1.677 -3.939) 5.166 5.381 ( -0.632 1.459 2.503) 2.966 5.473 ( 9.078 0.086 1.528) 9.206 5.673 ( -0.365 3.805 -1.217) 4.012 5.799 ( 1.498 -3.942 -1.178) 4.379 5.855 ( 5.895 -1.292 2.375) 6.485 6.137 ( -4.431 2.390 -2.780) 5.751 6.232 ( -0.590 -0.912 0.199) 1.105 6.343 ( -1.922 8.905 0.720) 9.138 6.486 ( 5.204 -0.699 -0.532) 5.278 7.833 ( -0.032 -0.783 2.204) 2.339 7.922 ( -1.201 4.051 -3.278) 5.348 8.275 ( -7.783 4.926 -5.921) 10.950 8.461 ( 5.617 -0.125 9.680) 11.192 8.863 ( -1.128 -1.261 -0.415) 1.742 9.117 ( -6.449 1.630 -4.209) 7.872 9.142 ( -0.436 -2.053 0.006) 2.099 9.382 ( 2.387 0.252 2.256) 3.294 9.449 ( 1.219 1.912 -0.814) 2.409 9.561 ( 8.127 -2.973 0.243) 8.658 9.830 ( 0.141 -3.409 -2.562) 4.267 9.959 ( 1.280 2.594 3.058) 4.209 10.188 ( 4.847 7.739 -0.743) 9.162 10.232 ( 1.966 5.386 3.921) 6.946 10.467 ( -2.427 2.230 0.456) 3.327 10.831 ( 6.125 7.056 -0.562) 9.361 10.964 ( -2.252 0.130 4.554) 5.082 11.299 ( -2.578 -4.399 -0.142) 5.101 11.494 ( 2.726 -1.305 7.243) 7.849 11.563 ( 1.061 -2.636 -7.093) 7.641 11.714 ( 4.669 3.729 3.136) 6.748 11.883 ( 14.304 11.615 -0.647) 18.437 12.143 ( -3.674 -7.331 1.306) 8.303 12.340 ( -5.744 2.804 -7.676) 9.989 12.401 ( -3.429 0.680 1.708) 3.891 12.557 ( -1.637 5.514 0.674) 5.791 12.699 ( -2.325 7.877 -3.773) 9.039 12.886 ( 0.218 1.476 -0.198) 1.505 13.352 ( -0.866 0.924 4.883) 5.044 13.439 ( -4.517 -3.038 -4.775) 7.241 13.611 ( -3.507 -2.282 -2.772) 5.019 13.761 ( 10.895 -4.902 4.888) 12.909 14.498 ( -9.746 -2.760 -7.288) 12.479 14.640 ( 5.319 3.798 2.413) 6.967 14.895 ( -3.312 -7.790 1.335) 8.569 15.132 ( -2.227 -7.512 -0.587) 7.857 15.273 ( -1.040 -11.151 -2.945) 11.580 15.464 ( -4.456 -10.389 -3.878) 11.951 16.074 ( 4.553 4.684 6.351) 9.110 16.265 ( 5.219 -7.186 0.498) 8.895 16.396 ( -1.723 5.735 -0.537) 6.012 16.583 ( -6.161 0.054 -7.750) 9.901 17.068 ( -1.796 -4.459 -1.085) 4.928 17.131 ( -0.240 -4.028 -0.645) 4.086 17.409 ( -0.558 -5.499 -0.830) 5.590 17.492 ( 1.517 -0.166 3.010) 3.374 20.065 ( 0.677 -0.800 3.796) 3.938 20.153 ( -1.089 -7.459 -4.434) 8.745 20.652 ( -1.575 11.651 2.692) 12.061 20.882 ( 1.417 8.665 -1.522) 8.911 22.148 ( 0.144 -13.031 2.333) 13.239 22.583 ( 2.664 -11.028 -2.192) 11.555 22.972 ( -1.801 9.653 3.687) 10.490 23.366 ( 2.008 7.177 -2.001) 7.716 27.363 ( 0.106 -19.913 3.160) 20.162 27.495 ( -5.773 -22.254 -6.894) 24.002 28.936 ( -3.191 21.761 -1.283) 22.031 29.305 ( 10.150 14.078 3.131) 17.635 30.764 ( -4.969 -5.029 -1.210) 7.172 30.817 ( -6.124 -12.533 0.003) 13.949 30.880 ( -4.070 -7.516 -3.756) 9.336 31.441 ( -4.762 -2.554 -0.533) 5.430 31.498 ( -1.893 -2.894 1.083) 3.624 31.731 ( 2.356 8.015 -1.185) 8.438 31.852 ( 3.428 11.760 -1.805) 12.381 32.606 ( 10.423 -7.507 -1.657) 12.952 33.041 ( 2.682 -11.873 0.216) 12.175 33.398 ( -3.760 4.874 0.580) 6.183 33.657 ( 25.278 17.372 -12.456) 33.104 33.801 ( 2.239 7.597 -5.867) 9.857 35.382 ( -1.931 -2.047 1.747) 3.312 35.485 ( -1.144 -0.807 2.021) 2.459 35.630 ( -3.366 -1.248 4.934) 6.102 36.042 ( 1.094 -0.458 -3.648) 3.836 36.278 ( -4.635 1.273 1.285) 4.976 36.380 ( -6.655 0.562 11.025) 12.890 36.888 ( -17.012 -16.052 2.751) 23.551 38.507 ( 11.760 15.212 0.352) 19.231 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -6.845 1.612 -0.640) 7.061 2.156 ( -4.584 -11.485 3.671) 12.899 2.390 ( -5.907 -2.926 -1.842) 6.845 2.441 ( 8.616 -0.508 -0.333) 8.638 2.633 ( 0.039 12.723 -1.751) 12.843 2.969 ( -4.532 -6.181 -6.793) 10.241 3.079 ( 2.826 -6.719 -2.874) 7.835 3.272 ( 5.397 4.289 -0.621) 6.922 3.330 ( 4.481 -1.995 -1.229) 5.057 3.560 ( 7.123 -2.619 1.003) 7.655 3.692 ( -2.903 9.254 -1.243) 9.778 3.725 ( 8.300 -3.492 -7.338) 11.616 3.744 ( 6.882 -0.808 2.944) 7.529 3.799 ( 5.026 -9.401 -2.374) 10.921 4.139 ( -5.752 -0.604 9.356) 10.999 4.247 ( -8.201 -3.699 -1.673) 9.151 4.413 ( 0.994 -0.710 4.667) 4.824 4.782 ( 2.653 -0.955 -1.061) 3.013 4.891 ( -2.926 1.165 -0.103) 3.151 5.009 ( 1.088 -4.110 -0.311) 4.263 5.135 ( -0.893 -3.991 -3.422) 5.332 5.249 ( -10.353 6.657 2.149) 12.495 5.533 ( 6.790 0.731 1.148) 6.925 5.585 ( -2.220 3.061 1.608) 4.109 5.793 ( -3.619 7.759 1.874) 8.764 5.896 ( 4.174 -1.632 -0.882) 4.568 6.051 ( -2.888 -0.797 -3.698) 4.759 6.175 ( -4.289 5.423 5.049) 8.561 6.407 ( 8.179 -7.994 1.192) 11.499 6.539 ( 4.073 -1.346 -0.590) 4.330 7.778 ( -2.690 4.950 -3.759) 6.773 7.842 ( -1.717 0.127 0.469) 1.784 8.127 ( -8.502 1.773 -5.204) 10.124 8.598 ( 7.906 -1.565 7.408) 10.947 8.897 ( 2.479 -2.901 0.034) 3.816 9.007 ( -5.982 1.752 -2.370) 6.668 9.216 ( 2.758 -1.522 3.243) 4.522 9.400 ( -2.123 1.334 0.111) 2.510 9.422 ( 0.662 -1.297 2.396) 2.804 9.558 ( -1.824 4.701 -3.440) 6.104 9.847 ( -0.590 -2.641 -3.840) 4.697 9.917 ( 8.509 8.282 2.571) 12.149 10.109 ( 0.764 2.556 -0.697) 2.758 10.208 ( -0.506 -1.472 -1.216) 1.976 10.430 ( 0.989 3.882 3.817) 5.533 10.751 ( 3.742 6.044 -2.319) 7.477 10.946 ( -2.843 1.757 4.177) 5.349 11.356 ( -2.662 -3.200 1.056) 4.294 11.473 ( 1.010 5.046 3.175) 6.047 11.579 ( 1.930 3.551 -0.699) 4.102 11.669 ( 4.119 4.933 -1.002) 6.504 11.889 ( 7.194 -3.046 -3.538) 8.576 12.159 ( -4.272 -1.842 -3.577) 5.868 12.350 ( -4.356 4.757 2.202) 6.816 12.402 ( 0.154 -10.804 2.239) 11.035 12.509 ( 0.937 0.181 0.299) 1.000 12.553 ( -0.954 1.011 -2.362) 2.741 12.850 ( 2.408 5.756 1.064) 6.329 13.323 ( -1.303 2.921 3.383) 4.656 13.457 ( -1.503 -4.516 -3.498) 5.907 13.630 ( -7.217 -6.776 -3.778) 10.596 13.893 ( 6.656 2.870 3.017) 7.851 14.418 ( -3.061 3.130 -5.956) 7.392 14.585 ( -2.237 0.559 1.929) 3.006 15.049 ( 0.801 -8.078 1.642) 8.282 15.250 ( -1.296 -6.750 0.933) 6.936 15.406 ( 0.325 -3.521 -0.222) 3.543 15.565 ( -0.492 -4.906 -0.782) 4.992 16.077 ( 4.063 1.639 6.708) 8.012 16.267 ( -3.017 1.157 -5.830) 6.666 16.350 ( -4.515 5.805 -1.157) 7.445 16.644 ( 4.360 -13.221 -0.634) 13.936 17.112 ( -1.624 -3.497 -3.232) 5.031 17.205 ( 0.790 -3.366 1.291) 3.691 17.446 ( -2.246 0.769 -0.014) 2.374 17.510 ( 1.140 -0.141 2.178) 2.463 20.110 ( -0.837 -3.619 0.172) 3.718 20.263 ( 1.616 -5.223 -4.450) 7.049 20.457 ( -2.750 7.768 2.501) 8.611 20.727 ( 2.781 9.097 -1.679) 9.659 22.412 ( 0.605 -13.929 2.634) 14.189 22.781 ( 0.609 -3.222 -2.956) 4.415 22.816 ( -1.641 1.107 4.476) 4.894 23.218 ( 1.702 9.937 -1.669) 10.219 27.772 ( -1.235 -22.687 2.573) 22.866 27.811 ( -3.766 -21.879 -3.734) 22.512 28.494 ( -2.786 23.676 -1.081) 23.864 29.143 ( 12.085 14.781 1.395) 19.143 30.828 ( -3.864 -5.948 0.541) 7.113 30.939 ( -4.404 -7.019 -0.072) 8.286 31.049 ( 0.266 -12.527 -2.019) 12.692 31.419 ( -2.379 1.134 -0.360) 2.660 31.542 ( -1.909 0.258 2.315) 3.012 31.604 ( -1.874 4.064 -1.044) 4.596 31.667 ( 1.952 8.425 -5.314) 10.150 32.764 ( 11.350 -1.318 -4.060) 12.126 33.192 ( 0.210 1.597 1.849) 2.452 33.321 ( 1.193 -0.456 -2.702) 2.989 33.501 ( 6.427 4.619 -5.401) 9.583 33.637 ( 1.562 9.805 -1.709) 10.075 35.401 ( -2.378 -0.749 2.213) 3.334 35.512 ( -1.030 -1.462 1.419) 2.283 35.651 ( -4.836 -0.945 6.500) 8.156 36.027 ( 1.662 0.688 -3.524) 3.957 36.250 ( -1.460 -0.279 1.281) 1.962 36.386 ( -6.636 0.157 11.165) 12.989 37.115 ( -6.237 -18.501 -3.165) 19.779 38.284 ( 8.501 17.221 -1.798) 19.288 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -7.325 15.319 -0.598) 16.990 2.048 ( -4.930 19.538 2.314) 20.283 2.355 ( 0.865 5.170 -8.163) 9.702 2.508 ( 7.033 -5.585 4.662) 10.119 2.676 ( -4.466 -12.913 1.014) 13.701 3.010 ( 2.910 1.671 -5.202) 6.190 3.049 ( -0.741 5.435 -6.032) 8.154 3.252 ( -6.329 4.529 4.223) 8.854 3.388 ( 10.676 -4.827 -4.739) 12.639 3.474 ( 0.846 10.991 0.624) 11.041 3.612 ( 4.556 8.224 3.865) 10.165 3.715 ( 1.726 -1.574 -1.544) 2.800 3.849 ( 2.274 -1.431 -2.947) 3.988 3.978 ( -0.514 -5.162 -3.554) 6.288 4.111 ( -6.806 1.583 3.409) 7.775 4.273 ( 2.357 -4.191 2.526) 5.432 4.495 ( -2.312 -5.115 4.313) 7.079 4.801 ( 1.099 0.166 -6.614) 6.706 4.844 ( 4.332 -1.170 0.813) 4.560 5.057 ( -6.158 -0.197 1.043) 6.249 5.170 ( -2.952 -4.056 -0.682) 5.062 5.251 ( 3.374 -9.686 -1.880) 10.428 5.533 ( -4.167 0.598 -0.032) 4.210 5.558 ( 2.148 0.899 -1.401) 2.718 5.689 ( -3.558 1.016 5.867) 6.936 5.891 ( 3.943 5.431 0.484) 6.728 5.991 ( -1.254 2.958 0.841) 3.321 6.212 ( -1.483 -5.441 3.703) 6.747 6.499 ( 4.467 2.215 -1.961) 5.358 6.639 ( 3.401 -5.269 -0.743) 6.315 7.700 ( -0.480 1.672 0.065) 1.741 7.859 ( 3.160 -1.695 2.265) 4.241 8.021 ( -8.379 -0.894 -4.674) 9.636 8.616 ( 2.363 4.612 -3.167) 6.073 8.952 ( -2.678 -0.233 1.337) 3.002 9.029 ( 2.583 -4.347 2.720) 5.742 9.227 ( 3.540 4.623 6.592) 8.795 9.326 ( -3.680 3.023 -0.777) 4.825 9.422 ( -3.671 2.256 -3.905) 5.815 9.519 ( 0.643 -5.460 0.178) 5.501 9.844 ( 5.310 7.059 0.496) 8.848 9.915 ( 5.173 -3.558 2.315) 6.691 10.063 ( -4.984 -2.789 -4.742) 7.424 10.250 ( 3.304 2.352 2.564) 4.798 10.380 ( -3.728 -0.042 -0.395) 3.750 10.631 ( 0.378 5.947 -3.779) 7.056 10.930 ( -3.382 -0.441 3.923) 5.198 11.356 ( -0.983 2.458 1.950) 3.288 11.415 ( -0.133 3.163 1.893) 3.689 11.503 ( 0.461 3.098 -1.169) 3.343 11.632 ( 3.139 2.656 -1.000) 4.231 11.924 ( -1.124 1.214 -2.511) 3.007 12.210 ( -1.104 -5.390 -0.158) 5.504 12.250 ( -1.550 1.068 -0.511) 1.950 12.485 ( 1.028 -2.373 -3.882) 4.665 12.605 ( 2.101 -4.179 2.532) 5.319 12.680 ( -0.057 -10.907 1.030) 10.956 12.714 ( 3.318 9.870 1.611) 10.537 13.282 ( -2.139 2.237 2.453) 3.949 13.544 ( 3.117 -5.019 -0.822) 5.965 13.688 ( -7.402 -7.532 -3.451) 11.110 13.805 ( -0.118 7.254 -0.217) 7.258 14.267 ( 0.215 9.234 -0.526) 9.252 14.628 ( -0.297 -2.786 -0.083) 2.803 15.164 ( -1.083 0.566 3.338) 3.555 15.313 ( 3.185 -4.627 -3.233) 6.481 15.489 ( -2.505 -6.744 0.559) 7.215 15.633 ( 2.241 -1.389 3.131) 4.094 16.046 ( -1.587 9.690 -0.770) 9.850 16.214 ( -1.628 -5.030 -1.914) 5.622 16.229 ( -1.452 5.705 2.555) 6.417 16.933 ( 6.049 -13.563 -1.958) 14.979 17.136 ( 0.229 -1.972 -4.435) 4.859 17.266 ( 1.169 -1.325 2.239) 2.852 17.373 ( -3.830 3.741 -0.190) 5.357 17.526 ( 0.925 1.148 2.313) 2.743 20.171 ( 1.536 8.489 0.079) 8.627 20.197 ( 0.049 -4.020 -2.249) 4.606 20.502 ( -0.868 -10.255 -2.037) 10.492 20.590 ( 2.860 7.660 -0.572) 8.197 22.581 ( -2.425 7.712 2.554) 8.478 22.694 ( -1.039 -9.027 2.377) 9.392 23.005 ( 1.313 -5.038 -2.821) 5.921 23.032 ( 1.157 4.791 -0.021) 4.929 28.030 ( 0.528 20.796 0.444) 20.808 28.124 ( -2.538 -19.815 -2.818) 20.175 28.242 ( -2.824 -21.776 3.118) 22.179 28.984 ( 11.893 12.809 -3.819) 17.891 30.893 ( -2.563 -2.074 1.894) 3.802 31.031 ( -2.249 -5.737 0.871) 6.223 31.218 ( 1.804 -3.625 -1.278) 4.246 31.347 ( 3.206 8.676 0.463) 9.261 31.453 ( -3.202 0.334 -2.611) 4.145 31.554 ( -2.026 -2.310 -6.487) 7.178 31.606 ( -2.120 0.006 4.713) 5.167 32.725 ( 10.194 11.187 -8.883) 17.549 33.085 ( -2.080 8.309 2.807) 9.014 33.306 ( 1.323 -0.463 -3.950) 4.191 33.468 ( -0.145 9.129 2.401) 9.441 33.601 ( 1.123 -10.282 -2.407) 10.619 35.400 ( -2.206 0.257 2.649) 3.457 35.524 ( -0.695 0.121 0.685) 0.983 35.658 ( -4.973 0.263 6.708) 8.354 36.014 ( 2.807 0.417 -3.111) 4.211 36.280 ( -0.231 -2.490 2.240) 3.357 36.395 ( -7.355 -0.631 9.588) 12.100 37.385 ( -0.567 -15.604 -3.353) 15.970 38.043 ( 4.876 12.535 -3.428) 13.880 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 2.912 17.553 12.641) 21.826 1.636 ( -5.418 23.642 7.753) 25.464 2.283 ( 3.325 1.297 2.013) 4.097 2.684 ( 15.256 11.878 4.824) 19.927 2.721 ( -5.587 -2.695 -4.587) 7.715 2.778 ( -0.498 17.674 -1.699) 17.763 2.877 ( -6.834 11.040 -2.437) 13.211 3.089 ( 4.167 14.888 3.511) 15.854 3.314 ( -3.048 -1.708 0.111) 3.495 3.466 ( 4.112 -0.578 -3.804) 5.631 3.617 ( -1.267 -6.119 -4.936) 7.963 3.746 ( -1.593 4.279 -4.483) 6.399 3.780 ( -1.044 -3.148 0.406) 3.341 4.030 ( -0.610 -3.458 -3.299) 4.818 4.087 ( 0.049 -2.122 0.593) 2.204 4.427 ( 1.858 -7.084 1.460) 7.468 4.611 ( -1.106 -8.593 0.644) 8.687 4.793 ( 1.052 3.610 2.259) 4.386 4.908 ( 1.118 -3.715 -3.347) 5.124 5.107 ( -6.381 -11.829 -2.954) 13.761 5.213 ( -0.893 -4.225 -4.192) 6.018 5.361 ( 6.155 3.044 1.703) 7.075 5.494 ( -3.314 0.889 -4.643) 5.773 5.615 ( -0.848 -8.760 2.091) 9.046 5.715 ( 1.927 1.507 4.547) 5.163 5.796 ( 0.195 7.193 4.791) 8.645 5.940 ( -1.375 3.017 2.271) 4.019 6.312 ( -0.902 -5.292 -0.468) 5.388 6.453 ( 1.755 3.690 -1.584) 4.382 6.686 ( -1.282 -0.894 -5.879) 6.083 7.699 ( 3.482 0.803 5.447) 6.515 7.933 ( -3.728 -3.202 -3.900) 6.274 8.030 ( 4.203 -4.150 5.168) 7.848 8.523 ( 1.317 3.835 -3.104) 5.107 8.894 ( -4.571 3.863 0.317) 5.993 9.055 ( -0.479 0.563 -0.299) 0.798 9.244 ( -4.694 -1.182 2.270) 5.347 9.298 ( 4.868 1.680 4.745) 7.003 9.372 ( -2.010 -0.166 -0.120) 2.020 9.589 ( 0.337 -1.150 -1.657) 2.045 9.768 ( 3.369 2.563 -2.940) 5.154 10.017 ( 3.617 1.669 -1.386) 4.217 10.095 ( -1.422 -4.463 0.586) 4.720 10.192 ( -3.883 1.701 4.410) 6.117 10.342 ( -0.718 0.747 -0.386) 1.106 10.628 ( 2.078 -6.084 -1.673) 6.643 10.966 ( -2.695 -4.421 3.438) 6.215 11.309 ( -1.093 3.029 3.117) 4.482 11.391 ( -0.518 -0.910 -0.981) 1.435 11.457 ( -3.100 1.014 -0.169) 3.266 11.601 ( 3.230 2.878 -0.590) 4.367 11.831 ( -3.062 4.647 -2.190) 5.980 12.237 ( 2.432 -0.805 -1.018) 2.756 12.322 ( -0.844 -3.875 -0.062) 3.967 12.452 ( 1.702 11.166 3.338) 11.778 12.593 ( 2.288 -7.633 -3.511) 8.708 12.733 ( -0.502 -2.106 -1.467) 2.615 12.866 ( -1.475 -9.349 -2.358) 9.754 13.256 ( -2.215 -0.159 4.146) 4.703 13.580 ( -0.941 3.886 -0.674) 4.055 13.643 ( 4.122 3.571 -2.100) 5.844 13.852 ( -2.509 -9.437 -0.084) 9.765 14.117 ( 1.051 7.378 2.037) 7.726 14.635 ( 1.159 2.273 1.206) 2.822 15.052 ( -1.154 8.577 1.813) 8.842 15.475 ( 1.389 -4.582 -4.130) 6.323 15.520 ( -0.595 0.287 -2.208) 2.305 15.662 ( -2.615 -2.709 -2.004) 4.265 15.891 ( 1.570 6.265 5.578) 8.534 16.092 ( -1.151 7.916 3.616) 8.778 16.347 ( 0.121 -9.254 -1.069) 9.316 17.110 ( -0.178 0.366 -9.231) 9.240 17.158 ( 3.446 -6.527 -3.940) 8.366 17.267 ( 0.241 3.423 1.137) 3.615 17.307 ( -0.874 0.256 1.903) 2.109 17.509 ( 1.476 2.793 1.980) 3.728 20.002 ( 1.211 9.585 2.342) 9.941 20.277 ( 5.062 -1.075 -6.755) 8.510 20.517 ( -1.217 -0.629 2.620) 2.957 20.692 ( 0.872 -11.129 -1.732) 11.297 22.369 ( -4.838 12.044 3.145) 13.355 22.764 ( 2.536 10.384 -3.077) 11.123 22.928 ( -3.031 -7.824 2.212) 8.677 23.221 ( 1.598 -10.864 -2.082) 11.176 27.635 ( 0.204 21.503 1.099) 21.532 28.454 ( -1.177 -16.453 -4.530) 17.106 28.634 ( -2.269 -19.848 -0.724) 19.991 28.827 ( 8.133 5.751 -8.549) 13.126 30.857 ( 2.099 7.174 3.751) 8.363 31.076 ( -1.847 1.145 0.114) 2.176 31.176 ( -2.576 3.683 -0.680) 4.546 31.200 ( 4.773 8.752 1.052) 10.024 31.529 ( -0.240 -7.500 -0.200) 7.507 31.611 ( -3.227 -4.300 3.409) 6.365 31.631 ( 4.627 -3.694 -2.979) 6.628 32.484 ( 6.896 14.759 -11.702) 20.058 32.934 ( 0.154 9.124 4.113) 10.010 33.218 ( 0.350 10.348 0.368) 10.360 33.436 ( -0.930 -3.830 1.782) 4.326 33.774 ( 1.067 -9.675 -4.283) 10.634 35.390 ( -1.744 0.963 2.999) 3.601 35.506 ( -0.464 1.590 0.501) 1.730 35.641 ( -3.582 1.543 5.150) 6.460 36.022 ( 3.098 -0.206 -1.739) 3.558 36.352 ( -1.904 -4.228 4.270) 6.304 36.397 ( -7.426 -0.664 6.739) 10.049 37.546 ( -3.108 -2.134 1.552) 4.077 37.960 ( 4.170 -4.904 -5.626) 8.549 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 5.592 24.576 13.623) 28.650 1.332 ( 10.069 14.616 31.314) 35.994 2.013 ( -6.173 41.786 2.895) 42.339 2.339 ( -1.845 2.346 3.645) 4.711 2.648 ( 10.595 13.894 3.146) 17.754 2.664 ( 0.701 2.980 0.335) 3.080 2.813 ( 4.308 8.931 2.837) 10.314 2.922 ( 3.322 -6.486 -1.777) 7.501 3.437 ( 3.330 -7.178 -4.414) 9.061 3.499 ( -0.345 -3.443 2.994) 4.576 3.619 ( -1.916 3.206 -3.702) 5.259 3.666 ( -2.068 -4.518 -9.755) 10.948 3.869 ( 1.088 -5.477 -3.060) 6.367 4.087 ( 0.835 -4.366 -2.938) 5.329 4.122 ( 0.685 -0.073 -0.737) 1.009 4.505 ( -6.698 -3.318 -2.663) 7.935 4.722 ( -6.881 1.322 6.569) 9.605 4.781 ( 2.488 -5.278 0.764) 5.885 4.935 ( -2.243 -3.091 -5.254) 6.495 5.140 ( -3.906 0.614 -6.486) 7.596 5.285 ( 2.393 0.532 -4.606) 5.218 5.360 ( 0.451 0.701 -1.608) 1.811 5.434 ( 2.387 0.627 1.628) 2.957 5.584 ( -1.142 11.382 3.250) 11.892 5.757 ( 0.208 -5.424 0.115) 5.429 5.806 ( -4.169 -3.513 -2.654) 6.064 5.927 ( 3.030 -0.554 9.782) 10.256 6.362 ( 2.569 1.117 -1.643) 3.248 6.419 ( -2.529 -3.572 -1.966) 4.798 6.614 ( -4.307 0.646 -7.941) 9.057 7.786 ( 6.844 0.081 10.241) 12.318 7.932 ( -4.968 -4.344 -3.502) 7.471 8.171 ( 0.946 -4.998 3.192) 6.005 8.484 ( 0.171 0.398 0.461) 0.632 8.838 ( 3.158 1.325 3.231) 4.708 9.051 ( -0.271 0.280 1.575) 1.622 9.195 ( -3.195 3.488 0.329) 4.742 9.282 ( 1.696 3.510 -1.125) 4.057 9.398 ( 0.261 -0.597 3.976) 4.029 9.571 ( -2.030 -1.832 -6.461) 7.015 9.748 ( 1.977 4.067 -2.146) 5.005 9.951 ( 3.265 1.441 1.665) 3.938 10.101 ( 1.652 1.884 4.158) 4.855 10.278 ( -7.830 -9.532 0.090) 12.336 10.411 ( 4.214 -3.100 6.872) 8.637 10.753 ( -0.152 -7.581 -4.327) 8.730 11.074 ( -3.282 -6.401 1.997) 7.465 11.269 ( -2.777 1.072 1.283) 3.242 11.410 ( 0.767 0.704 -0.758) 1.288 11.453 ( -0.001 -4.112 3.084) 5.140 11.572 ( 2.601 2.460 -1.809) 4.011 11.720 ( -1.615 3.418 -2.011) 4.282 12.184 ( 0.566 6.843 0.267) 6.872 12.339 ( 1.117 -1.645 4.195) 4.642 12.446 ( 1.763 -3.271 0.888) 3.821 12.685 ( 0.383 -0.202 -3.807) 3.831 12.783 ( 3.227 -7.171 -0.800) 7.905 12.947 ( -3.346 -4.526 -5.552) 7.907 13.291 ( -3.359 -1.277 6.150) 7.123 13.512 ( 0.640 0.673 -1.099) 1.439 13.604 ( 1.399 2.677 -1.670) 3.451 13.854 ( -4.058 4.448 -6.459) 8.830 14.173 ( 10.219 -4.485 9.340) 14.553 14.599 ( 0.777 2.899 1.313) 3.276 14.912 ( 0.115 8.197 3.105) 8.766 15.304 ( -5.736 8.973 -5.716) 12.086 15.459 ( 1.981 8.114 -1.725) 8.528 15.745 ( -4.763 7.862 -3.227) 9.742 15.829 ( 8.324 -6.158 0.868) 10.391 16.070 ( -3.187 -3.408 3.767) 5.997 16.508 ( -0.481 -9.138 -1.986) 9.364 16.999 ( -0.900 4.589 -8.526) 9.724 17.136 ( -3.726 3.201 -9.005) 10.258 17.235 ( 1.429 2.858 -3.928) 5.064 17.306 ( 2.825 3.020 3.420) 5.366 17.465 ( 3.058 5.554 -1.486) 6.512 19.893 ( 2.190 5.918 4.387) 7.685 20.220 ( 4.793 5.581 -5.503) 9.187 20.636 ( -1.661 -9.984 3.297) 10.645 20.879 ( 0.709 -9.551 -0.951) 9.625 22.137 ( -5.195 11.075 3.332) 12.679 22.552 ( 2.537 11.960 -2.518) 12.483 23.050 ( -5.015 -7.147 0.241) 8.734 23.388 ( 0.919 -8.182 -3.434) 8.921 27.295 ( 0.321 17.328 1.291) 17.379 28.210 ( -11.309 22.729 -32.467) 41.214 28.955 ( 3.460 -18.908 2.729) 19.415 29.061 ( 0.957 -18.231 1.254) 18.299 30.794 ( 8.918 4.905 4.082) 10.966 30.998 ( -0.616 5.283 1.107) 5.433 31.069 ( -5.705 6.071 4.021) 9.251 31.140 ( 13.077 6.530 5.567) 15.640 31.615 ( -0.137 -3.720 -2.529) 4.500 31.706 ( 3.216 -2.911 -1.789) 4.693 31.777 ( 1.469 -10.517 1.335) 10.703 32.234 ( 13.950 13.006 -11.539) 22.292 32.844 ( 9.246 6.912 4.973) 12.570 33.031 ( 2.287 10.817 3.166) 11.501 33.512 ( -1.570 -4.238 0.266) 4.527 33.906 ( 1.310 -7.287 -6.012) 9.537 35.372 ( -1.195 1.529 2.623) 3.262 35.476 ( -0.578 1.313 0.941) 1.716 35.612 ( -1.978 1.751 3.576) 4.446 36.045 ( 2.675 -0.494 -0.996) 2.897 36.369 ( -5.746 1.682 3.725) 7.051 36.436 ( -4.003 -4.459 4.508) 7.499 37.495 ( -23.601 -3.193 9.414) 25.610 38.157 ( 9.167 -11.307 -4.856) 15.345 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 21.716 0.000 17.340) 27.789 1.598 ( 9.137 0.000 18.539) 20.668 2.000 ( 9.082 0.000 -10.391) 13.800 2.568 ( 15.259 0.000 -12.340) 19.625 2.601 ( 21.787 0.000 13.389) 25.572 2.907 ( -1.707 -0.000 -0.008) 1.707 2.991 ( 0.551 0.000 -7.539) 7.559 3.043 ( -3.074 -0.000 5.713) 6.487 3.365 ( -9.107 -0.000 -4.998) 10.388 3.413 ( -8.723 -0.000 2.879) 9.186 3.650 ( -3.856 -0.000 -13.225) 13.776 3.691 ( -7.307 -0.000 1.863) 7.541 3.727 ( 2.249 0.000 -7.788) 8.106 3.763 ( 3.225 0.000 2.376) 4.006 4.166 ( -2.832 -0.000 6.276) 6.886 4.241 ( -2.416 -0.000 -3.980) 4.656 4.393 ( -22.691 -0.000 4.257) 23.087 4.833 ( -1.523 -0.000 0.397) 1.574 4.951 ( -4.664 -0.000 0.054) 4.665 4.959 ( -2.464 -0.000 3.681) 4.430 5.040 ( 0.129 0.000 -1.943) 1.947 5.351 ( 8.041 0.000 4.385) 9.159 5.492 ( 12.473 0.000 1.926) 12.621 5.510 ( 13.010 0.000 1.358) 13.081 5.801 ( -7.070 -0.000 -4.236) 8.242 5.848 ( 3.319 0.000 -5.311) 6.263 6.158 ( -1.760 -0.000 0.510) 1.832 6.364 ( -4.063 -0.000 -1.811) 4.448 6.433 ( 5.883 0.000 1.535) 6.080 6.583 ( 0.667 0.000 0.961) 1.170 7.812 ( 0.781 0.000 3.367) 3.456 7.990 ( 3.702 0.000 1.526) 4.005 8.419 ( -7.596 -0.000 -3.898) 8.537 8.475 ( 1.127 0.000 5.362) 5.479 8.927 ( 0.645 0.000 -0.608) 0.886 8.990 ( -12.337 -0.000 -11.941) 17.169 9.243 ( 1.864 0.000 1.844) 2.622 9.373 ( 3.332 0.000 3.830) 5.076 9.447 ( 11.199 0.000 2.905) 11.569 9.496 ( 4.735 0.000 -5.219) 7.046 9.732 ( 2.636 0.000 3.507) 4.387 9.975 ( -0.478 -0.000 1.978) 2.034 10.326 ( 1.976 0.000 1.314) 2.373 10.332 ( -2.104 -0.000 7.716) 7.998 10.633 ( 0.523 0.000 -5.344) 5.369 10.897 ( -0.094 -0.000 7.402) 7.402 11.018 ( 6.190 0.000 -2.428) 6.649 11.207 ( -2.279 -0.000 -4.013) 4.615 11.341 ( 3.922 0.000 1.381) 4.158 11.595 ( 3.708 0.000 -1.781) 4.114 11.803 ( 3.597 0.000 2.961) 4.659 12.001 ( -4.105 -0.000 5.927) 7.210 12.309 ( 9.474 0.000 -1.952) 9.673 12.355 ( -10.328 -0.000 -7.653) 12.855 12.477 ( -0.446 -0.000 -1.763) 1.819 12.687 ( -4.774 -0.000 -2.452) 5.366 12.929 ( 0.236 0.000 -6.930) 6.934 12.966 ( 1.987 0.000 1.150) 2.296 13.330 ( -2.413 -0.000 2.956) 3.815 13.457 ( 5.112 0.000 4.244) 6.644 13.470 ( -4.489 -0.000 -2.532) 5.154 13.650 ( 4.174 0.000 1.411) 4.406 14.526 ( -1.877 -0.000 -1.789) 2.593 14.534 ( -5.737 -0.000 -4.340) 7.194 14.634 ( -11.477 -0.000 -8.831) 14.481 14.852 ( -4.332 -0.000 -2.387) 4.946 15.011 ( 1.249 0.000 -0.433) 1.321 15.251 ( 1.902 0.000 -0.677) 2.019 15.935 ( -0.712 -0.000 4.022) 4.084 16.415 ( 8.328 0.000 0.272) 8.332 16.565 ( -1.743 -0.000 -4.247) 4.590 16.607 ( -0.164 -0.000 -0.749) 0.767 16.937 ( -1.597 -0.000 -0.082) 1.599 17.012 ( -0.881 -0.000 -1.272) 1.548 17.215 ( -1.678 -0.000 -0.184) 1.688 17.475 ( 4.567 0.000 4.006) 6.075 20.007 ( -3.247 -0.000 -3.720) 4.938 20.077 ( 2.707 0.000 6.479) 7.021 20.951 ( -0.249 -0.000 2.001) 2.016 21.018 ( -1.643 -0.000 0.925) 1.886 21.884 ( -0.131 -0.000 1.635) 1.640 22.341 ( 3.335 0.000 -1.515) 3.663 23.228 ( -0.264 -0.000 1.942) 1.960 23.493 ( 1.908 0.000 -1.694) 2.552 26.963 ( -0.026 -0.000 0.158) 0.160 26.966 ( -0.164 -0.000 -0.085) 0.185 29.446 ( 0.171 0.000 -0.235) 0.290 29.577 ( 6.360 0.000 2.266) 6.752 30.413 ( -13.465 -0.000 -3.540) 13.923 30.713 ( -3.688 -0.000 -0.829) 3.780 30.749 ( -4.290 -0.000 -2.872) 5.162 31.371 ( -5.558 -0.000 -3.516) 6.577 31.414 ( -1.600 -0.000 1.232) 2.019 31.997 ( 3.294 0.000 -0.818) 3.394 32.156 ( 3.832 0.000 2.770) 4.728 32.373 ( 6.825 0.000 -0.047) 6.825 32.709 ( 3.471 0.000 -1.171) 3.663 33.486 ( -5.153 -0.000 1.549) 5.381 33.946 ( 3.521 0.000 -8.535) 9.233 34.163 ( 45.735 0.000 -40.001) 60.760 35.316 ( -1.444 -0.000 0.985) 1.748 35.526 ( 1.151 0.000 -1.055) 1.561 35.607 ( -2.354 -0.000 3.924) 4.576 35.950 ( 1.361 0.000 -4.416) 4.621 36.307 ( -6.246 -0.000 6.582) 9.074 36.362 ( -6.237 -0.000 -1.235) 6.358 36.594 ( -37.738 -0.000 31.147) 48.931 38.816 ( 12.682 0.000 3.139) 13.065 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 6.500 -1.684 11.833) 13.605 1.878 ( 3.999 -5.088 10.914) 12.688 2.113 ( 10.067 -7.923 -3.874) 13.384 2.596 ( 9.278 -4.562 -2.312) 10.594 2.794 ( 2.223 -1.544 -6.331) 6.885 2.835 ( 6.484 0.706 -8.949) 11.074 2.962 ( 6.795 4.213 5.058) 9.461 3.128 ( 7.486 -2.184 -2.298) 8.130 3.266 ( -10.583 -1.558 -7.104) 12.841 3.439 ( -5.879 -8.398 3.302) 10.770 3.564 ( 0.741 -0.789 -6.041) 6.138 3.594 ( -3.971 2.645 -3.548) 5.946 3.752 ( 3.822 -1.825 -4.921) 6.493 3.845 ( 2.443 -3.674 1.019) 4.528 4.142 ( -17.869 -0.841 2.891) 18.120 4.184 ( -1.235 3.155 5.798) 6.716 4.326 ( -7.082 -3.801 3.622) 8.816 4.802 ( -1.342 1.624 -0.097) 2.109 4.919 ( -3.205 1.562 3.790) 5.204 4.938 ( 1.630 0.838 2.882) 3.415 5.055 ( -1.611 -1.139 -3.735) 4.224 5.411 ( 1.556 1.205 1.207) 2.309 5.594 ( 10.267 1.414 3.295) 10.875 5.642 ( 0.128 -5.329 -2.612) 5.936 5.785 ( 2.096 -1.762 0.277) 2.752 5.859 ( 8.520 -2.136 -1.067) 8.849 6.125 ( -2.648 1.131 -0.101) 2.881 6.262 ( -3.597 6.286 -2.548) 7.677 6.483 ( 4.030 2.191 2.005) 5.006 6.532 ( -0.092 4.141 0.778) 4.215 7.851 ( 2.444 0.483 3.203) 4.058 8.004 ( 3.622 4.180 1.399) 5.706 8.281 ( -8.411 5.135 -4.985) 11.044 8.502 ( 0.044 -1.953 3.422) 3.941 8.818 ( -5.343 -0.328 -2.908) 6.092 8.998 ( -4.178 -4.755 -2.700) 6.882 9.185 ( -0.998 6.050 0.636) 6.165 9.423 ( 2.228 -0.382 2.714) 3.532 9.489 ( 4.060 1.238 -2.732) 5.047 9.563 ( 6.633 -2.094 0.324) 6.964 9.786 ( 1.080 -1.750 -0.468) 2.109 10.004 ( 3.304 -0.802 2.500) 4.220 10.275 ( -0.888 3.539 0.720) 3.719 10.423 ( 1.869 -2.637 7.223) 7.913 10.504 ( 1.687 11.043 -4.417) 12.013 10.960 ( 1.246 0.151 5.258) 5.406 11.010 ( 5.083 3.744 0.397) 6.325 11.208 ( -2.111 -2.971 -1.841) 4.084 11.420 ( 3.459 -4.739 0.165) 5.870 11.602 ( 3.914 1.562 -0.203) 4.219 11.837 ( 5.850 2.626 4.556) 7.866 11.995 ( -8.614 -2.322 2.247) 9.200 12.219 ( -1.220 4.379 -10.270) 11.231 12.298 ( 5.804 4.506 1.103) 7.431 12.410 ( 1.367 5.547 -1.797) 5.989 12.602 ( -7.759 1.384 -2.953) 8.416 12.830 ( -1.101 7.862 -2.182) 8.233 12.886 ( -2.952 4.828 -3.015) 6.412 13.337 ( -2.460 -0.149 -1.099) 2.698 13.368 ( -2.094 0.011 4.235) 4.725 13.628 ( 2.008 0.998 1.172) 2.531 13.744 ( 8.519 -9.189 5.221) 13.575 14.351 ( -11.945 2.016 -10.493) 16.027 14.591 ( 0.241 -9.993 -2.477) 10.298 14.748 ( -0.808 -10.596 -1.764) 10.772 14.925 ( -2.165 -11.368 3.158) 11.996 15.070 ( -1.057 -5.234 -2.773) 6.016 15.277 ( -0.992 -4.041 -0.580) 4.201 16.040 ( 1.324 -8.787 0.515) 8.901 16.368 ( 5.511 8.512 1.956) 10.327 16.479 ( -1.599 5.697 -2.698) 6.504 16.573 ( -1.437 3.628 0.166) 3.906 16.958 ( -1.958 -3.868 -2.085) 4.810 17.054 ( -0.302 -4.696 0.092) 4.707 17.279 ( -0.524 -6.951 -0.438) 6.985 17.524 ( 2.125 0.035 3.015) 3.689 20.004 ( -2.185 -4.625 -4.174) 6.602 20.103 ( 0.410 1.590 3.252) 3.643 20.848 ( -1.312 9.450 2.134) 9.777 20.998 ( 0.121 3.681 -0.701) 3.749 21.967 ( 0.055 -7.986 2.395) 8.338 22.426 ( 2.793 -7.268 -1.623) 7.953 23.153 ( -0.701 8.330 3.015) 8.887 23.469 ( 1.964 3.575 -1.598) 4.381 27.077 ( -0.247 -12.485 1.203) 12.546 27.105 ( -1.330 -14.467 -1.773) 14.636 29.263 ( -1.897 17.068 -1.036) 17.204 29.574 ( 6.917 7.065 1.267) 9.968 30.464 ( -6.334 -14.601 -3.402) 16.275 30.699 ( -3.379 -1.950 0.811) 3.985 30.737 ( -3.840 -3.467 -1.780) 5.472 31.339 ( -4.346 -2.450 -2.669) 5.658 31.436 ( -1.818 -2.956 1.644) 3.840 31.914 ( 2.141 9.000 -0.137) 9.252 32.082 ( 2.895 10.717 -0.269) 11.104 32.508 ( 5.731 -8.371 -0.242) 10.148 32.849 ( 3.331 -10.998 -0.843) 11.522 33.435 ( -5.210 2.527 2.712) 6.394 33.883 ( 4.655 4.897 -10.237) 12.266 34.101 ( 30.623 15.475 -28.466) 44.582 35.333 ( -1.565 -2.227 1.049) 2.917 35.499 ( -0.629 1.891 1.126) 2.289 35.612 ( -4.231 -0.662 5.287) 6.804 35.995 ( 2.627 -3.607 -4.908) 6.634 36.265 ( -5.921 0.650 2.073) 6.307 36.362 ( -5.206 -3.958 2.086) 6.864 36.576 ( -22.215 -6.216 23.697) 33.071 38.826 ( 9.178 9.811 1.597) 13.529 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -4.297 -7.530 3.279) 9.269 1.969 ( -6.012 -3.446 4.150) 8.077 2.303 ( 5.052 -4.796 0.459) 6.981 2.624 ( 5.239 7.358 -5.502) 10.577 2.831 ( 4.704 1.335 -7.692) 9.115 2.865 ( -2.028 3.022 -7.614) 8.439 2.943 ( 4.087 -1.838 -0.869) 4.565 3.164 ( 3.502 -13.592 4.105) 14.624 3.378 ( 12.095 -6.234 -6.922) 15.267 3.510 ( -5.351 -1.611 0.477) 5.609 3.563 ( 2.016 -3.550 -6.296) 7.504 3.670 ( 4.437 -8.417 0.387) 9.523 3.763 ( -1.477 -0.161 -3.769) 4.051 3.883 ( 2.822 0.888 0.841) 3.076 4.084 ( -11.984 -5.383 2.289) 13.335 4.171 ( -1.817 2.456 10.637) 11.067 4.396 ( -0.155 -4.088 3.739) 5.542 4.777 ( 0.738 0.232 -2.026) 2.169 4.883 ( -5.365 1.057 -1.530) 5.678 4.975 ( 1.993 -1.111 6.354) 6.751 5.049 ( -0.527 -2.157 -1.516) 2.689 5.300 ( -7.511 6.323 -2.172) 10.056 5.616 ( 4.184 3.593 -0.227) 5.520 5.719 ( 3.857 6.964 2.880) 8.466 5.790 ( 1.370 -7.309 -1.484) 7.583 5.976 ( 1.927 -1.768 3.427) 4.310 6.009 ( -3.427 11.190 -2.595) 11.988 6.253 ( 3.510 -7.169 -1.002) 8.045 6.347 ( -2.044 6.963 2.943) 7.830 6.562 ( 4.230 -0.607 0.150) 4.276 7.837 ( 0.384 2.918 -1.579) 3.340 7.902 ( 1.274 7.231 1.900) 7.584 8.099 ( -7.617 5.179 -2.939) 9.668 8.608 ( 2.148 -4.930 0.022) 5.377 8.838 ( -1.041 -4.948 0.915) 5.138 8.989 ( -4.020 2.560 -0.894) 4.849 9.154 ( 0.497 -4.868 3.085) 5.785 9.421 ( -1.160 1.621 0.081) 1.994 9.496 ( 4.105 2.601 3.465) 5.969 9.591 ( -0.079 1.504 -3.028) 3.382 9.774 ( -0.867 0.493 -3.443) 3.585 10.074 ( 4.906 -1.348 -0.860) 5.160 10.205 ( 0.856 4.314 0.535) 4.431 10.277 ( 0.751 11.873 -1.043) 11.943 10.494 ( 0.520 0.441 3.496) 3.561 10.902 ( 4.441 7.669 -1.987) 9.082 10.996 ( -1.440 2.680 3.898) 4.945 11.260 ( -2.131 -5.008 0.296) 5.451 11.514 ( 1.046 -2.667 -4.355) 5.213 11.617 ( 2.930 0.691 6.271) 6.956 11.804 ( -0.825 6.155 -0.129) 6.211 11.956 ( 6.451 3.491 -5.897) 9.412 12.161 ( 4.510 3.955 -0.068) 5.999 12.218 ( -3.315 -3.630 -2.406) 5.474 12.399 ( -2.145 1.362 3.268) 4.139 12.524 ( -1.361 -0.703 1.916) 2.453 12.623 ( -1.039 9.751 -3.378) 10.372 12.849 ( -3.145 -3.095 -0.815) 4.487 13.321 ( -3.679 -3.206 -2.996) 5.727 13.404 ( 0.579 0.841 4.971) 5.075 13.554 ( -2.062 3.301 -0.194) 3.897 14.030 ( 13.214 -1.527 7.827) 15.434 14.214 ( -10.707 -7.555 -10.398) 16.728 14.688 ( 1.476 4.327 -2.581) 5.250 14.897 ( -0.870 -10.544 3.620) 11.182 15.118 ( 0.369 -6.816 1.633) 7.019 15.248 ( -0.975 -15.283 0.605) 15.326 15.394 ( -1.674 -9.936 -0.762) 10.105 16.157 ( -0.488 -2.108 -6.356) 6.714 16.285 ( 3.909 6.703 4.123) 8.787 16.442 ( 0.634 1.688 4.374) 4.731 16.451 ( -2.745 -1.613 -3.556) 4.773 17.015 ( -0.568 -4.646 -2.121) 5.139 17.141 ( -0.117 -4.551 0.609) 4.593 17.391 ( -0.518 -5.181 -0.650) 5.247 17.536 ( 0.054 0.898 2.140) 2.321 20.075 ( -1.305 -0.586 -1.511) 2.081 20.092 ( -0.278 -7.183 -3.770) 8.117 20.657 ( -1.524 11.682 2.305) 12.004 20.887 ( 1.425 7.822 -1.564) 8.103 22.179 ( -0.110 -13.290 2.985) 13.621 22.597 ( 2.046 -10.262 -2.128) 10.678 22.990 ( -1.866 10.393 4.029) 11.302 23.377 ( 1.709 7.234 -1.647) 7.613 27.383 ( -1.379 -19.974 0.812) 20.038 27.399 ( -1.057 -20.405 -0.470) 20.438 28.884 ( -1.372 22.047 -0.805) 22.105 29.451 ( 5.878 11.974 -1.527) 13.426 30.691 ( -0.583 -10.139 -0.872) 10.193 30.776 ( -2.789 -11.888 0.383) 12.217 30.793 ( -2.054 -6.162 0.951) 6.565 31.351 ( -2.498 -2.965 -1.590) 4.190 31.496 ( -2.508 -3.825 1.836) 4.928 31.750 ( 1.153 10.259 -0.183) 10.325 31.881 ( 2.880 12.697 -1.799) 13.143 32.704 ( 4.780 -8.730 -1.506) 10.066 33.080 ( 2.779 -11.954 -1.440) 12.356 33.351 ( -4.625 4.456 3.686) 7.405 33.704 ( 8.617 12.634 -18.409) 23.932 33.873 ( 11.650 14.284 -7.780) 20.007 35.368 ( -1.956 -2.069 1.597) 3.265 35.491 ( -1.014 -0.698 1.886) 2.252 35.626 ( -5.433 -1.369 6.287) 8.421 36.019 ( 1.292 -0.565 -3.647) 3.910 36.240 ( -1.413 -0.120 0.387) 1.469 36.399 ( -5.416 -1.027 7.377) 9.209 36.747 ( -9.207 -15.544 9.731) 20.520 38.640 ( 5.688 16.594 -1.758) 17.630 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -3.134 4.602 1.120) 5.679 2.106 ( -0.252 -19.437 -0.496) 19.445 2.310 ( -2.573 6.273 -0.283) 6.786 2.550 ( 3.288 5.792 1.231) 6.773 2.589 ( 1.127 6.691 -5.757) 8.898 2.829 ( -2.555 -4.291 -6.653) 8.319 3.126 ( 6.522 -6.086 -0.771) 8.954 3.365 ( 2.060 4.407 4.624) 6.712 3.418 ( 10.860 0.023 -8.666) 13.894 3.526 ( -7.341 -0.251 0.061) 7.345 3.639 ( -2.659 -6.926 -3.814) 8.342 3.784 ( 6.062 -2.458 -4.607) 8.001 3.817 ( 1.722 -7.704 -0.412) 7.905 3.898 ( 3.195 4.628 4.984) 7.515 4.085 ( -4.529 -1.206 -2.616) 5.367 4.238 ( 1.924 -3.216 11.991) 12.563 4.471 ( -2.685 -0.593 4.135) 4.966 4.745 ( -1.396 -0.213 -6.929) 7.071 4.833 ( -1.189 -2.186 -2.315) 3.399 5.030 ( -6.446 1.789 1.478) 6.851 5.098 ( 2.308 -0.948 -1.003) 2.689 5.170 ( 1.311 -2.932 3.772) 4.954 5.522 ( -1.149 4.381 -3.777) 5.897 5.629 ( -1.157 5.480 1.126) 5.713 5.781 ( -2.370 7.701 2.236) 8.362 5.921 ( 2.031 -4.222 -2.619) 5.367 6.025 ( 1.584 1.077 2.036) 2.796 6.191 ( -3.053 2.981 7.531) 8.656 6.483 ( 2.191 -8.499 -4.319) 9.782 6.583 ( 1.891 0.479 -0.535) 2.023 7.770 ( 2.503 3.881 2.054) 5.055 7.860 ( -0.451 0.406 -0.070) 0.610 7.981 ( 0.196 2.338 1.733) 2.917 8.617 ( -4.022 -0.739 -9.506) 10.348 8.929 ( -1.137 0.367 0.944) 1.523 8.970 ( 0.252 -5.624 3.188) 6.470 9.287 ( -1.418 -2.937 1.537) 3.605 9.384 ( 0.582 0.270 3.260) 3.322 9.430 ( -3.489 5.483 -1.434) 6.655 9.515 ( 2.416 4.464 0.569) 5.107 9.821 ( 4.902 -5.940 -0.736) 7.737 10.011 ( 1.359 6.626 -1.638) 6.960 10.099 ( -2.003 7.011 -3.208) 7.966 10.245 ( 3.395 -3.166 5.006) 6.827 10.432 ( -2.766 5.653 -1.263) 6.419 10.758 ( 2.072 9.060 -4.370) 10.271 10.949 ( -2.997 2.373 3.926) 5.479 11.330 ( -1.926 -3.567 0.336) 4.068 11.468 ( -2.539 3.326 -2.488) 4.868 11.604 ( 0.222 6.497 -4.105) 7.689 11.700 ( 2.397 1.967 2.423) 3.936 11.980 ( 8.306 2.828 1.597) 8.918 12.105 ( -0.353 -2.315 -1.053) 2.568 12.296 ( -3.673 2.762 1.151) 4.737 12.395 ( -1.775 -8.413 -1.602) 8.746 12.470 ( -1.510 -0.886 -4.252) 4.599 12.618 ( 2.997 -1.557 5.719) 6.642 12.861 ( -0.602 2.456 -0.658) 2.613 13.303 ( -4.191 1.708 -2.130) 5.002 13.456 ( 5.843 -5.527 5.392) 9.683 13.557 ( -1.668 -3.393 1.293) 3.996 13.954 ( -0.891 8.515 -1.538) 8.699 14.388 ( 6.392 -3.253 -2.674) 7.655 14.546 ( -4.605 1.817 0.682) 4.998 15.089 ( 0.273 -7.805 2.959) 8.351 15.247 ( -0.506 -6.257 1.081) 6.369 15.409 ( 0.169 -2.089 0.747) 2.225 15.566 ( 0.339 -8.374 1.401) 8.497 16.086 ( -5.760 0.794 -8.294) 10.129 16.257 ( 6.874 5.697 7.485) 11.651 16.311 ( -1.815 3.970 1.107) 4.503 16.677 ( 0.709 -14.785 -3.024) 15.107 17.081 ( 1.480 -3.395 -1.361) 3.946 17.220 ( -0.185 -4.205 0.945) 4.314 17.411 ( -1.628 1.705 -1.083) 2.595 17.540 ( -0.366 -0.458 2.018) 2.101 20.078 ( -1.105 -3.728 -2.791) 4.786 20.236 ( 2.286 -8.615 -5.043) 10.241 20.453 ( -2.043 9.951 3.098) 10.620 20.746 ( 1.888 8.190 -1.523) 8.542 22.443 ( -0.439 -14.072 2.670) 14.330 22.746 ( -1.114 0.252 -2.084) 2.376 22.851 ( -0.318 -0.815 3.790) 3.889 23.223 ( 1.247 10.151 -1.665) 10.362 27.742 ( 1.143 -20.777 -0.179) 20.809 27.799 ( -2.336 -23.890 2.154) 24.100 28.469 ( 0.179 23.686 0.510) 23.692 29.231 ( 2.044 13.207 -6.905) 15.043 30.815 ( -0.477 -6.064 3.366) 6.951 30.899 ( -0.950 -7.115 0.817) 7.224 31.059 ( 2.012 -14.465 0.662) 14.619 31.379 ( -0.430 -1.815 -0.871) 2.058 31.520 ( -1.472 1.849 -0.551) 2.427 31.587 ( 0.322 7.135 2.173) 7.466 31.686 ( 2.502 9.323 -0.750) 9.682 32.833 ( 4.812 -1.798 -5.940) 7.853 33.215 ( 0.676 4.472 0.468) 4.547 33.293 ( -0.666 -2.681 -2.170) 3.513 33.444 ( 1.723 4.347 -12.506) 13.352 33.696 ( 3.980 10.684 0.997) 11.445 35.392 ( -1.915 -1.025 2.370) 3.215 35.514 ( -0.730 -1.142 1.315) 1.888 35.645 ( -5.651 -1.286 6.793) 8.930 36.016 ( 2.046 -0.230 -3.646) 4.187 36.249 ( -0.747 -1.374 0.860) 1.785 36.399 ( -6.807 0.789 9.634) 11.823 37.058 ( 0.286 -18.398 2.173) 18.529 38.338 ( 2.934 17.926 -4.663) 18.753 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 10.092 10.559 11.688) 18.707 2.049 ( -0.150 18.930 5.415) 19.690 2.356 ( 5.944 -1.493 -2.779) 6.729 2.540 ( -5.669 -4.458 -4.958) 8.752 2.667 ( 0.989 -15.985 3.303) 16.353 2.878 ( 0.545 -3.632 -8.546) 9.301 3.111 ( 3.767 11.859 1.049) 12.487 3.256 ( 0.164 9.026 5.974) 10.825 3.448 ( -1.728 0.666 -2.365) 3.004 3.481 ( 6.766 2.211 -4.155) 8.242 3.637 ( -5.650 -4.185 -4.105) 8.142 3.760 ( 3.938 16.696 3.961) 17.605 3.797 ( 0.389 2.252 -5.073) 5.564 3.927 ( -5.598 -3.049 -1.679) 6.592 4.049 ( 2.646 -1.450 -3.316) 4.483 4.377 ( 1.316 -2.184 7.266) 7.701 4.472 ( -4.940 -5.714 3.115) 8.170 4.771 ( 0.122 -2.718 -4.637) 5.376 4.849 ( -3.014 -3.458 -6.279) 7.776 4.921 ( -1.873 0.650 0.030) 1.983 5.159 ( 4.042 -2.634 0.891) 4.906 5.371 ( 4.402 -10.135 3.842) 11.698 5.446 ( -0.750 0.401 -6.900) 6.952 5.527 ( -3.356 2.054 1.816) 4.334 5.745 ( -0.772 -0.107 5.191) 5.249 5.929 ( 1.371 4.022 -0.235) 4.256 5.994 ( -2.002 2.077 3.574) 4.594 6.223 ( -2.667 -2.895 3.680) 5.389 6.518 ( 2.339 1.884 -4.420) 5.344 6.592 ( -4.468 -2.612 -5.135) 7.290 7.788 ( 6.442 0.213 6.553) 9.191 7.838 ( -3.645 -0.794 -0.985) 3.858 8.054 ( 7.691 -1.914 4.859) 9.297 8.524 ( -4.456 0.543 -8.865) 9.937 8.927 ( 0.088 1.224 0.190) 1.242 9.042 ( -1.240 -2.977 0.376) 3.247 9.192 ( -6.924 3.435 -0.188) 7.731 9.363 ( 0.325 0.608 -1.780) 1.909 9.418 ( 3.454 3.769 4.312) 6.688 9.539 ( 1.370 -5.072 0.517) 5.279 9.849 ( -3.572 6.638 -4.407) 8.732 9.969 ( -1.167 -2.352 1.948) 3.269 10.049 ( 5.937 -1.615 1.202) 6.269 10.281 ( -2.643 5.291 -0.344) 5.924 10.355 ( 2.637 -1.899 2.702) 4.226 10.604 ( 1.020 4.398 -3.895) 5.962 10.927 ( -2.382 -0.309 3.730) 4.436 11.347 ( -1.674 -0.530 0.075) 1.758 11.386 ( -3.019 2.559 -0.122) 3.959 11.476 ( -0.459 3.809 -3.144) 4.960 11.689 ( 2.415 3.511 2.172) 4.782 11.919 ( 2.088 6.680 -1.198) 7.101 12.232 ( 1.656 -4.340 0.990) 4.750 12.247 ( 2.069 -1.270 2.352) 3.380 12.445 ( -0.400 -6.155 -4.205) 7.465 12.620 ( -1.249 -9.766 -2.717) 10.213 12.665 ( -2.535 -2.192 0.697) 3.423 12.712 ( -2.340 9.967 -1.254) 10.315 13.257 ( -2.400 0.125 0.998) 2.603 13.592 ( 0.313 -1.834 -0.650) 1.970 13.707 ( 7.928 -6.811 5.703) 11.907 13.793 ( 0.915 6.678 0.292) 6.747 14.264 ( -0.490 8.544 -0.330) 8.564 14.646 ( 1.463 -4.543 1.115) 4.901 15.171 ( -2.544 1.563 2.919) 4.175 15.349 ( 4.857 -4.566 -2.199) 7.019 15.423 ( -4.272 -4.238 -1.298) 6.156 15.623 ( -4.274 1.580 -1.360) 4.756 16.032 ( 0.983 -0.749 0.739) 1.440 16.224 ( -2.209 3.989 1.764) 4.889 16.283 ( 6.078 3.416 4.825) 8.479 16.886 ( -2.407 -11.803 -8.816) 14.928 17.142 ( 2.591 -2.088 -1.396) 3.609 17.300 ( 0.748 -2.614 3.118) 4.137 17.329 ( -1.355 3.757 -1.147) 4.156 17.546 ( -1.290 0.595 1.562) 2.112 20.166 ( 0.733 -7.744 -3.254) 8.432 20.201 ( 0.688 9.992 1.152) 10.081 20.479 ( 0.914 -10.022 -1.900) 10.241 20.612 ( 0.991 6.740 -0.984) 6.883 22.571 ( -2.231 11.129 2.449) 11.612 22.687 ( -2.400 -11.526 1.322) 11.847 22.997 ( 1.516 1.261 -2.306) 3.034 23.047 ( 0.838 -0.348 -0.491) 1.031 28.052 ( 0.489 21.673 1.801) 21.754 28.138 ( 4.395 -17.705 1.510) 18.305 28.216 ( -2.513 -23.676 1.344) 23.847 28.935 ( -4.246 12.292 -13.565) 18.792 30.939 ( 1.213 -3.111 5.858) 6.743 31.006 ( -1.296 -4.471 0.451) 4.677 31.227 ( 0.778 -0.982 -1.005) 1.606 31.355 ( -1.034 2.496 -0.907) 2.850 31.452 ( 3.307 2.265 -0.024) 4.008 31.571 ( -2.002 -0.639 3.992) 4.511 31.632 ( 8.919 -0.537 1.487) 9.058 32.701 ( 3.776 12.211 -14.321) 19.196 33.094 ( -0.804 6.242 2.463) 6.758 33.287 ( 0.103 -0.917 -0.817) 1.233 33.455 ( -0.992 1.186 -1.985) 2.516 33.615 ( 2.064 -2.481 -0.446) 3.258 35.402 ( -1.742 -0.035 3.096) 3.553 35.524 ( -0.513 0.242 0.990) 1.140 35.654 ( -4.577 -0.076 5.920) 7.483 36.023 ( 2.499 -0.710 -2.856) 3.861 36.285 ( -2.194 -3.023 1.737) 4.119 36.381 ( -7.625 0.733 9.146) 11.930 37.389 ( 4.015 -14.379 -0.681) 14.944 38.037 ( 1.175 12.446 -5.782) 13.773 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 3.839 20.685 14.517) 25.560 1.853 ( 21.512 10.271 19.946) 31.082 2.313 ( -6.825 7.044 -0.134) 9.809 2.498 ( -3.518 5.832 -6.291) 9.272 2.740 ( -3.818 4.091 1.680) 5.842 2.870 ( 1.055 6.374 3.907) 7.550 2.984 ( 14.575 9.149 3.046) 17.476 3.244 ( 4.355 -6.890 0.083) 8.152 3.305 ( 3.833 18.778 1.584) 19.231 3.460 ( 0.163 -1.673 -7.621) 7.804 3.550 ( 5.438 2.364 -5.229) 7.905 3.673 ( -0.227 5.595 -4.039) 6.905 3.711 ( -2.671 -7.459 -4.493) 9.108 3.945 ( -8.071 -7.547 1.258) 11.121 4.109 ( 2.440 -1.184 -2.637) 3.783 4.412 ( -4.132 -0.936 0.352) 4.251 4.583 ( -9.266 -7.974 2.772) 12.535 4.771 ( -0.612 -3.502 -1.810) 3.990 4.865 ( -0.765 1.049 -1.680) 2.123 4.960 ( 0.832 -6.631 -4.371) 7.985 5.239 ( 0.615 -3.105 -0.803) 3.265 5.379 ( -0.792 1.920 -7.300) 7.589 5.529 ( 6.458 -0.852 3.410) 7.352 5.621 ( -0.282 -9.088 2.228) 9.362 5.731 ( -6.278 2.066 1.313) 6.738 5.828 ( 3.627 8.150 0.240) 8.924 5.992 ( -0.613 0.255 10.659) 10.680 6.267 ( -3.800 -4.439 -1.431) 6.016 6.460 ( 2.967 3.981 -3.128) 5.868 6.525 ( -6.990 -0.319 -8.558) 11.055 7.825 ( -2.457 -0.507 -0.352) 2.533 7.921 ( 9.408 -1.557 9.304) 13.323 8.129 ( 0.104 -1.466 0.376) 1.517 8.462 ( -3.016 -0.945 -3.590) 4.783 8.903 ( 1.946 1.856 1.404) 3.034 9.070 ( 1.316 0.595 1.763) 2.279 9.161 ( -3.574 -3.761 1.077) 5.299 9.342 ( 3.454 1.767 -2.331) 4.526 9.433 ( 1.260 -0.437 3.132) 3.404 9.531 ( -2.623 4.670 -5.023) 7.343 9.793 ( 1.914 -3.288 1.181) 3.984 10.007 ( 1.672 6.552 -2.073) 7.072 10.024 ( -9.807 -8.167 1.243) 12.823 10.221 ( 4.442 4.989 -0.160) 6.682 10.418 ( 2.112 -2.737 3.205) 4.714 10.622 ( 0.750 -5.250 -1.259) 5.450 10.974 ( -2.101 -3.887 3.127) 5.413 11.310 ( -1.534 3.253 3.378) 4.934 11.392 ( 0.097 -4.346 2.790) 5.166 11.436 ( 3.401 0.773 -1.621) 3.846 11.647 ( 2.120 3.527 0.685) 4.172 11.790 ( 0.761 7.094 -3.724) 8.048 12.265 ( 2.747 -0.130 -1.783) 3.278 12.343 ( 0.386 -1.688 4.014) 4.372 12.478 ( -2.774 6.430 -0.621) 7.030 12.567 ( -0.811 -5.508 -3.586) 6.623 12.687 ( -0.109 -5.284 -0.734) 5.336 12.772 ( -4.093 -8.197 -4.638) 10.269 13.270 ( -1.194 -1.543 4.075) 4.518 13.580 ( -0.102 2.405 -0.908) 2.573 13.653 ( 2.118 5.552 -0.823) 5.999 13.866 ( 1.561 1.900 -3.261) 4.084 14.239 ( 6.882 -2.754 9.248) 11.852 14.678 ( 0.998 2.494 1.536) 3.095 15.077 ( -0.362 7.477 2.830) 8.003 15.330 ( -6.269 3.034 -6.686) 9.655 15.480 ( -1.954 -0.158 -2.933) 3.528 15.613 ( -0.453 -8.698 -2.463) 9.051 15.986 ( -0.338 9.360 3.265) 9.919 16.165 ( 4.114 5.716 7.873) 10.563 16.345 ( 1.314 -6.193 -1.757) 6.570 16.931 ( -5.163 -3.336 -13.037) 14.414 17.134 ( -1.269 3.045 -0.235) 3.307 17.262 ( -0.308 1.511 -2.218) 2.702 17.374 ( 3.515 -0.304 2.911) 4.574 17.522 ( -1.907 1.384 0.957) 2.543 20.053 ( 0.705 7.933 3.723) 8.791 20.279 ( 4.018 -2.278 -5.286) 7.019 20.511 ( -2.593 -1.072 1.753) 3.308 20.692 ( 1.809 -10.969 -1.913) 11.280 22.351 ( -1.813 12.946 2.875) 13.385 22.774 ( 3.159 10.229 -2.955) 11.106 22.873 ( -5.646 -6.594 1.343) 8.784 23.216 ( 1.250 -9.949 -2.374) 10.304 27.667 ( 1.023 22.033 2.829) 22.237 28.296 ( -7.161 9.765 -14.417) 18.828 28.621 ( -0.643 -21.967 1.666) 22.039 28.763 ( 0.877 -12.357 -3.039) 12.756 30.918 ( -0.451 5.449 0.263) 5.474 31.068 ( -2.929 -0.275 4.072) 5.024 31.137 ( -1.920 6.616 -1.287) 7.008 31.350 ( 6.445 2.610 5.073) 8.607 31.503 ( -1.377 -4.876 -0.277) 5.074 31.591 ( -2.319 -6.245 2.026) 6.963 31.778 ( 13.141 -0.296 -2.494) 13.379 32.452 ( 9.247 9.076 -11.511) 17.332 33.033 ( 5.391 4.200 4.857) 8.385 33.233 ( 0.616 8.063 1.350) 8.199 33.431 ( -1.744 -2.403 1.260) 3.225 33.734 ( 1.003 -8.752 -5.574) 10.424 35.401 ( -1.556 0.821 3.243) 3.689 35.508 ( -0.633 1.685 1.198) 2.162 35.643 ( -2.990 1.161 4.445) 5.481 36.044 ( 2.136 -0.964 -1.842) 2.980 36.333 ( -4.010 -3.526 0.640) 5.378 36.365 ( -8.615 -0.312 10.437) 13.537 37.461 ( -7.328 6.251 -2.311) 9.906 38.005 ( 8.726 -9.524 -3.454) 13.371 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 1.983 0.000 3.747) 4.239 2.035 ( 16.140 0.000 11.125) 19.603 2.088 ( 5.268 0.000 1.532) 5.486 2.586 ( -0.807 -0.000 -5.805) 5.861 2.820 ( 8.144 0.000 -8.146) 11.518 2.846 ( -4.677 -0.000 -12.397) 13.249 2.959 ( 5.016 0.000 1.942) 5.379 3.012 ( 0.199 0.000 -2.962) 2.969 3.249 ( 0.637 0.000 -4.596) 4.640 3.324 ( -9.671 -0.000 1.373) 9.768 3.504 ( 0.972 0.000 -6.036) 6.114 3.599 ( 1.749 0.000 -1.280) 2.167 3.746 ( 4.614 0.000 -3.617) 5.863 3.839 ( 3.848 0.000 0.173) 3.852 4.001 ( -20.058 -0.000 4.644) 20.589 4.243 ( -0.770 -0.000 7.630) 7.669 4.278 ( -2.159 -0.000 5.245) 5.672 4.804 ( -2.491 -0.000 0.210) 2.499 4.909 ( -2.859 -0.000 3.980) 4.900 4.989 ( 0.198 0.000 2.159) 2.168 5.053 ( 2.920 0.000 -2.609) 3.916 5.425 ( -3.522 -0.000 -2.533) 4.338 5.563 ( -0.105 -0.000 -2.514) 2.516 5.692 ( 6.117 0.000 2.272) 6.526 5.770 ( 5.801 0.000 2.820) 6.450 5.910 ( 9.289 0.000 -2.332) 9.577 6.135 ( -2.163 -0.000 2.023) 2.961 6.297 ( -1.391 -0.000 -1.655) 2.162 6.527 ( 2.090 0.000 2.765) 3.466 6.584 ( -1.494 -0.000 1.137) 1.877 7.909 ( 4.225 0.000 1.846) 4.611 8.106 ( 4.613 0.000 3.568) 5.832 8.235 ( -8.790 -0.000 -3.081) 9.314 8.453 ( -3.699 -0.000 -2.984) 4.753 8.748 ( -5.069 -0.000 -0.735) 5.122 8.943 ( 0.286 0.000 1.975) 1.996 9.272 ( 0.365 0.000 0.560) 0.668 9.437 ( 2.260 0.000 1.475) 2.699 9.492 ( -0.650 -0.000 -2.769) 2.845 9.592 ( 5.282 0.000 -1.909) 5.617 9.787 ( 2.868 0.000 0.834) 2.987 10.025 ( 2.625 0.000 -0.357) 2.649 10.313 ( -2.323 -0.000 -0.877) 2.483 10.361 ( -3.994 -0.000 -0.550) 4.031 10.656 ( 4.501 0.000 2.514) 5.155 10.999 ( -0.573 -0.000 7.602) 7.623 11.079 ( 5.183 0.000 -2.562) 5.781 11.158 ( -0.306 -0.000 -2.214) 2.235 11.415 ( 2.873 0.000 1.343) 3.171 11.646 ( 4.731 0.000 -0.558) 4.764 11.922 ( -10.608 -0.000 3.449) 11.155 11.937 ( 6.550 0.000 4.868) 8.161 12.133 ( -4.266 -0.000 -4.858) 6.466 12.316 ( -0.187 -0.000 -1.931) 1.940 12.481 ( -11.207 -0.000 -4.482) 12.070 12.631 ( 16.968 0.000 -1.973) 17.082 12.839 ( -3.100 -0.000 -5.344) 6.178 12.983 ( -0.583 -0.000 -1.900) 1.987 13.362 ( 1.300 0.000 3.527) 3.759 13.374 ( -5.779 -0.000 -0.327) 5.788 13.600 ( 3.761 0.000 2.810) 4.695 13.720 ( 0.574 0.000 1.366) 1.481 14.256 ( -3.442 -0.000 -5.533) 6.517 14.488 ( -0.604 -0.000 -1.246) 1.385 14.546 ( -0.538 -0.000 -1.967) 2.040 14.841 ( -1.374 -0.000 4.294) 4.508 15.019 ( 0.501 0.000 -0.457) 0.678 15.260 ( 0.877 0.000 -1.035) 1.357 15.941 ( -0.781 -0.000 -4.128) 4.201 16.498 ( 2.322 0.000 -1.537) 2.785 16.534 ( 0.493 0.000 2.262) 2.315 16.616 ( 0.748 0.000 2.673) 2.775 16.910 ( -0.929 -0.000 -0.719) 1.174 16.988 ( -0.557 -0.000 -0.515) 0.759 17.201 ( -0.079 -0.000 -0.023) 0.083 17.550 ( 0.531 0.000 2.051) 2.119 19.922 ( -1.314 -0.000 -4.335) 4.530 20.131 ( -1.440 -0.000 0.761) 1.629 20.959 ( -0.888 -0.000 0.940) 1.293 21.003 ( -0.928 -0.000 0.017) 0.928 21.910 ( 0.201 0.000 2.714) 2.722 22.369 ( 2.271 0.000 -1.458) 2.698 23.244 ( -0.825 -0.000 2.310) 2.453 23.506 ( 1.631 0.000 -1.445) 2.179 26.963 ( -0.063 -0.000 -0.049) 0.080 26.964 ( -0.059 -0.000 0.103) 0.118 29.431 ( -0.834 -0.000 -0.926) 1.247 29.675 ( 3.833 0.000 -0.314) 3.846 30.257 ( -1.822 -0.000 -1.646) 2.455 30.668 ( -2.661 -0.000 1.780) 3.201 30.675 ( -2.230 -0.000 -0.133) 2.234 31.276 ( -2.295 -0.000 -2.180) 3.166 31.399 ( -2.075 -0.000 1.062) 2.331 32.021 ( 1.120 0.000 -0.599) 1.270 32.212 ( 1.302 0.000 -0.322) 1.341 32.452 ( 3.631 0.000 -0.343) 3.648 32.753 ( 3.840 0.000 -1.342) 4.068 33.439 ( -4.814 -0.000 4.171) 6.370 33.909 ( 5.984 0.000 -11.092) 12.603 34.289 ( 27.951 0.000 -36.553) 46.015 35.307 ( -1.073 -0.000 1.212) 1.619 35.525 ( 0.336 0.000 -1.166) 1.213 35.600 ( -5.703 -0.000 5.874) 8.187 35.943 ( 2.942 0.000 -3.086) 4.263 36.221 ( -10.818 -0.000 5.965) 12.353 36.266 ( -3.818 -0.000 -1.295) 4.031 36.561 ( -15.083 -0.000 29.535) 33.164 38.981 ( 4.793 0.000 0.789) 4.857 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -3.729 -5.537 3.757) 7.660 1.923 ( -4.649 16.301 0.975) 16.979 2.222 ( 4.857 -8.618 0.819) 9.926 2.658 ( -6.076 -5.016 -6.545) 10.243 2.733 ( 11.355 -2.540 -10.256) 15.510 2.810 ( 6.087 -0.592 -5.428) 8.177 3.029 ( 0.939 0.428 -6.131) 6.217 3.134 ( 0.446 1.229 -1.713) 2.155 3.209 ( 3.919 -8.139 1.700) 9.192 3.347 ( -7.513 -13.335 -4.186) 15.867 3.528 ( 5.225 -1.711 -5.212) 7.576 3.590 ( 2.678 0.902 -1.009) 3.001 3.756 ( 4.676 1.569 -1.922) 5.294 3.898 ( -1.438 -5.190 -1.015) 5.480 3.931 ( -6.890 0.379 9.824) 12.006 4.268 ( -0.950 1.408 10.856) 10.988 4.333 ( -2.558 -3.866 5.140) 6.922 4.775 ( -2.055 0.841 -1.316) 2.581 4.879 ( -3.259 3.477 0.327) 4.777 4.977 ( -3.192 0.200 -1.781) 3.660 5.069 ( 4.332 -0.820 4.555) 6.339 5.334 ( -2.909 4.018 -4.559) 6.737 5.624 ( 2.459 -5.664 -1.341) 6.319 5.707 ( 0.169 1.599 0.404) 1.658 5.878 ( 3.777 -2.743 1.620) 4.941 5.952 ( 2.936 3.460 0.517) 4.567 6.119 ( -0.422 -2.378 1.085) 2.647 6.217 ( 0.434 6.850 0.044) 6.864 6.505 ( -1.489 7.597 2.269) 8.067 6.570 ( 1.126 -1.223 1.513) 2.248 7.887 ( -0.114 3.270 -3.118) 4.520 8.065 ( -0.336 6.616 2.480) 7.074 8.153 ( -0.569 4.191 0.816) 4.308 8.462 ( -4.387 -5.405 -7.247) 10.049 8.775 ( 2.182 -2.693 5.593) 6.580 8.992 ( 0.644 -2.462 3.666) 4.462 9.184 ( -0.227 6.106 1.843) 6.382 9.429 ( -1.378 0.909 -2.485) 2.984 9.543 ( 2.290 -2.556 2.861) 4.468 9.593 ( 0.716 0.872 -4.380) 4.523 9.800 ( 2.492 1.571 0.705) 3.029 10.029 ( -1.876 -1.482 -5.213) 5.735 10.251 ( -1.242 1.614 -1.061) 2.297 10.369 ( -1.892 -1.640 -5.641) 6.172 10.605 ( 0.709 8.297 5.148) 9.790 11.002 ( -2.648 2.032 2.513) 4.178 11.069 ( 2.044 4.147 -1.813) 4.966 11.166 ( -1.064 -3.342 -0.788) 3.594 11.454 ( 0.801 -2.101 -0.847) 2.403 11.686 ( 5.180 0.036 2.091) 5.586 11.826 ( -8.965 2.977 -2.282) 9.718 11.988 ( -2.677 -2.811 -1.521) 4.169 12.132 ( 8.606 1.187 5.393) 10.225 12.334 ( -2.811 1.695 -4.369) 5.464 12.443 ( 4.832 -1.060 3.010) 5.791 12.576 ( 6.517 11.411 -1.156) 13.191 12.781 ( -1.512 -0.027 1.006) 1.816 12.814 ( -0.723 11.843 -3.843) 12.472 13.290 ( -2.521 2.005 -1.354) 3.494 13.401 ( -0.646 -1.683 5.441) 5.732 13.650 ( 0.253 5.278 -0.086) 5.284 13.827 ( -4.589 -16.348 -4.155) 17.480 14.235 ( 7.272 4.622 4.955) 9.940 14.585 ( 1.291 -11.694 -0.693) 11.785 14.752 ( 3.571 -12.301 -1.033) 12.850 14.926 ( -3.729 -11.687 4.323) 13.007 15.071 ( 1.457 -4.128 1.909) 4.776 15.258 ( -0.151 -2.091 -0.868) 2.270 15.982 ( -1.829 -8.346 -9.082) 12.469 16.433 ( -0.875 4.361 -2.592) 5.148 16.487 ( 3.438 7.089 6.092) 9.959 16.578 ( -0.506 7.066 2.830) 7.628 16.929 ( 0.701 -3.701 -0.632) 3.820 17.049 ( -0.346 -5.197 -0.115) 5.210 17.276 ( 0.367 -6.581 0.214) 6.595 17.552 ( -1.419 0.316 0.859) 1.689 19.940 ( 0.794 -5.006 -4.655) 6.881 20.084 ( -3.090 2.097 -2.872) 4.711 20.845 ( -1.594 9.216 1.312) 9.445 20.991 ( 0.322 3.202 -1.224) 3.443 22.000 ( -0.241 -7.949 3.723) 8.781 22.442 ( 1.521 -6.981 -1.716) 7.348 23.169 ( -1.613 8.140 2.873) 8.781 23.476 ( 1.270 3.601 -1.759) 4.205 27.079 ( -0.723 -12.609 0.614) 12.644 27.089 ( 0.440 -13.126 -0.165) 13.135 29.236 ( 0.188 17.432 -0.401) 17.438 29.635 ( 1.189 6.601 -2.814) 7.274 30.422 ( 2.346 -15.369 1.029) 15.581 30.677 ( -1.494 -1.994 2.671) 3.653 30.707 ( -0.071 -3.507 2.072) 4.074 31.282 ( -0.058 -2.608 -1.070) 2.819 31.418 ( -2.014 -3.018 0.682) 3.692 31.932 ( 0.750 8.692 -0.360) 8.731 32.101 ( 0.949 10.386 -1.941) 10.608 32.561 ( 1.912 -8.424 -0.766) 8.672 32.881 ( 2.268 -10.278 -1.619) 10.649 33.409 ( -3.657 2.523 5.167) 6.815 33.836 ( 8.166 6.429 -16.761) 19.722 34.153 ( 17.446 12.665 -26.601) 34.240 35.327 ( -0.976 -1.864 1.587) 2.636 35.498 ( -0.879 1.344 0.916) 1.848 35.594 ( -6.202 -0.908 6.118) 8.759 35.986 ( 2.294 -2.200 -3.885) 5.020 36.229 ( -0.080 -1.012 0.161) 1.028 36.274 ( -5.006 -7.608 -0.195) 9.109 36.636 ( -12.211 -1.889 30.316) 32.738 38.903 ( 0.853 10.262 -2.413) 10.576 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -7.986 -4.029 -3.205) 9.501 1.956 ( -5.903 -7.244 1.630) 9.486 2.351 ( 4.258 -1.056 -3.258) 5.464 2.523 ( -1.987 2.616 -10.732) 11.224 2.794 ( 4.341 1.474 -7.573) 8.852 2.869 ( -2.290 10.311 -0.620) 10.581 2.995 ( 5.981 -7.632 -1.440) 9.803 3.208 ( -2.220 -16.714 1.309) 16.912 3.429 ( -3.264 -3.862 0.723) 5.108 3.472 ( 8.181 -5.664 -9.433) 13.711 3.553 ( 9.420 0.931 -1.672) 9.613 3.679 ( -2.209 -8.848 -2.565) 9.473 3.772 ( 4.688 -0.844 0.552) 4.796 3.952 ( -8.002 -2.616 9.548) 12.730 3.975 ( 2.695 -2.590 -0.874) 3.838 4.316 ( 0.268 0.401 13.113) 13.122 4.416 ( -4.237 -4.603 3.575) 7.206 4.698 ( -4.123 2.090 -5.947) 7.533 4.784 ( -0.872 1.188 -3.286) 3.602 5.011 ( 0.750 -3.484 3.699) 5.136 5.154 ( 2.951 -1.843 5.304) 6.343 5.198 ( 0.458 7.514 -3.579) 8.336 5.596 ( -2.883 6.258 -4.310) 8.127 5.774 ( 0.005 -0.869 1.801) 2.000 5.802 ( 0.227 3.776 1.081) 3.935 5.874 ( -3.357 4.822 -3.241) 6.710 6.134 ( 5.854 4.672 6.242) 9.750 6.260 ( -1.644 -9.015 -3.596) 9.844 6.345 ( -2.063 8.016 4.211) 9.287 6.598 ( 0.112 -0.381 0.036) 0.399 7.811 ( -1.300 1.686 -2.942) 3.631 7.965 ( 1.423 6.616 4.823) 8.310 8.099 ( 7.524 4.895 3.545) 9.650 8.441 ( -8.212 -4.220 -12.300) 15.380 8.889 ( 0.371 -4.467 3.104) 5.453 8.986 ( 2.145 4.241 1.497) 4.983 9.224 ( 0.627 -4.415 6.459) 7.849 9.387 ( -1.691 0.462 -1.506) 2.311 9.501 ( -3.563 5.353 -2.664) 6.960 9.577 ( 0.628 0.481 -0.773) 1.106 9.849 ( 9.737 -0.920 5.118) 11.039 9.989 ( -4.927 -1.251 -7.615) 9.156 10.187 ( -2.739 3.700 -5.176) 6.927 10.313 ( 0.777 4.112 2.480) 4.864 10.489 ( -3.520 5.273 0.541) 6.363 10.899 ( -0.746 7.865 -4.383) 9.035 10.987 ( -3.466 2.351 2.110) 4.690 11.239 ( -0.095 -4.607 -0.210) 4.613 11.456 ( -3.300 0.495 -4.811) 5.855 11.667 ( -2.480 4.792 -5.143) 7.454 11.749 ( 2.444 -0.432 4.210) 4.887 12.055 ( 0.009 -6.774 0.128) 6.775 12.137 ( -0.924 6.422 -3.930) 7.585 12.252 ( 8.063 3.932 3.689) 9.700 12.372 ( -0.668 2.480 1.565) 3.007 12.516 ( -2.909 8.254 -1.409) 8.865 12.701 ( 5.940 2.492 5.896) 8.732 12.820 ( 0.636 -3.657 0.115) 3.713 13.267 ( -0.754 -1.060 -1.545) 2.019 13.491 ( 1.148 -4.525 6.415) 7.934 13.542 ( 1.848 4.783 1.259) 5.279 13.958 ( -8.752 -5.447 -5.991) 11.923 14.318 ( 11.129 -3.651 5.739) 13.043 14.644 ( -0.850 6.920 -5.353) 8.790 14.933 ( -0.873 -11.398 4.945) 12.455 15.158 ( -0.732 -4.451 2.191) 5.014 15.279 ( 3.095 -15.387 4.370) 16.292 15.399 ( 2.188 -11.660 2.197) 12.065 16.013 ( -2.973 -1.297 -9.981) 10.495 16.354 ( -4.391 1.382 -4.224) 6.248 16.442 ( 3.931 5.789 7.338) 10.140 16.497 ( 3.091 -1.029 2.341) 4.012 17.019 ( 1.881 -4.433 -0.245) 4.822 17.136 ( -0.232 -5.158 0.241) 5.169 17.381 ( 0.101 -3.543 -0.723) 3.618 17.536 ( -2.226 -0.124 0.746) 2.351 20.011 ( -2.383 -0.255 -4.897) 5.452 20.056 ( 2.925 -8.821 -5.095) 10.599 20.655 ( -1.919 11.194 2.052) 11.542 20.889 ( 1.068 7.229 -1.635) 7.488 22.212 ( -0.797 -12.845 4.250) 13.553 22.595 ( 1.012 -9.662 -2.264) 9.975 22.998 ( -2.783 10.103 3.653) 11.097 23.377 ( 1.107 7.227 -2.053) 7.594 27.374 ( -2.363 -20.212 1.005) 20.374 27.411 ( 3.710 -20.245 1.016) 20.608 28.889 ( 1.793 21.754 1.065) 21.854 29.423 ( -2.848 12.921 -7.159) 15.044 30.725 ( 2.773 -8.239 2.612) 9.077 30.766 ( -0.433 -9.425 3.863) 10.195 30.837 ( 3.074 -10.233 3.658) 11.293 31.344 ( 1.877 -3.066 0.375) 3.614 31.465 ( -1.945 -3.230 -0.149) 3.774 31.766 ( 0.644 9.654 0.671) 9.699 31.895 ( 1.566 11.521 -1.923) 11.785 32.722 ( 0.574 -8.480 -2.590) 8.885 33.079 ( 0.645 -11.521 -3.358) 12.017 33.354 ( -1.845 4.781 5.560) 7.562 33.576 ( 6.973 14.554 -27.291) 31.705 33.921 ( 5.594 11.269 -5.850) 13.875 35.364 ( -1.276 -1.885 2.141) 3.125 35.495 ( -0.819 -0.847 1.399) 1.829 35.607 ( -5.863 -1.828 6.230) 8.748 35.999 ( 1.505 -0.712 -3.907) 4.247 36.233 ( -0.037 -0.264 0.040) 0.269 36.386 ( -2.915 -3.965 3.572) 6.081 36.827 ( -3.159 -11.045 19.847) 22.931 38.631 ( -1.203 16.382 -5.990) 17.484 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.337 -14.522 -1.598) 14.614 2.080 ( -5.206 -11.655 -2.665) 13.040 2.354 ( 6.838 1.913 1.207) 7.203 2.481 ( -0.127 -3.890 -12.765) 13.346 2.637 ( 1.490 11.653 4.571) 12.606 2.733 ( -2.129 -1.319 -2.858) 3.800 3.218 ( 5.066 -7.093 -2.551) 9.082 3.368 ( -3.496 -4.072 -1.340) 5.531 3.437 ( -1.522 6.363 7.328) 9.823 3.485 ( 2.575 -0.059 -8.129) 8.527 3.612 ( 8.331 -0.523 -1.467) 8.475 3.776 ( -3.518 -3.062 -5.158) 6.954 3.809 ( -1.981 -1.605 -1.326) 2.874 3.973 ( -2.654 1.604 7.792) 8.386 4.023 ( 3.084 -1.297 -0.297) 3.359 4.323 ( -12.255 -1.492 4.469) 13.129 4.461 ( 0.953 -0.314 2.022) 2.258 4.708 ( 4.664 -4.079 -1.351) 6.342 4.769 ( -0.737 -0.860 -2.294) 2.559 5.039 ( 6.056 10.302 0.470) 11.959 5.137 ( 3.149 -5.914 2.629) 7.197 5.238 ( -1.381 -4.646 1.965) 5.230 5.445 ( -0.692 3.139 -3.941) 5.085 5.616 ( -1.050 9.596 1.064) 9.712 5.773 ( -0.559 1.758 1.866) 2.624 5.900 ( -1.536 -5.438 -2.420) 6.147 6.088 ( 0.990 6.887 1.526) 7.123 6.242 ( -1.482 2.761 8.434) 8.997 6.388 ( -4.384 -7.109 -6.469) 10.564 6.583 ( -0.606 1.441 -0.398) 1.613 7.794 ( 1.423 -0.761 -0.675) 1.749 7.926 ( 3.918 3.029 7.435) 8.934 8.126 ( 6.409 1.693 0.909) 6.691 8.383 ( -6.504 -3.565 -8.979) 11.646 8.947 ( -2.134 -3.490 0.252) 4.099 8.973 ( 3.433 1.271 -0.162) 3.664 9.227 ( -4.912 3.828 -0.942) 6.298 9.373 ( 0.478 0.963 -1.937) 2.216 9.453 ( 1.482 -2.772 4.324) 5.346 9.538 ( 1.088 3.549 -1.689) 4.078 9.906 ( -4.558 0.507 -2.051) 5.024 9.929 ( -2.384 5.187 -4.199) 7.087 10.134 ( 8.714 -0.925 6.294) 10.789 10.300 ( -3.581 -1.951 2.948) 5.032 10.365 ( -2.345 4.742 -1.272) 5.441 10.707 ( -1.086 8.393 -5.926) 10.332 10.948 ( -1.891 1.731 3.191) 4.093 11.289 ( -1.770 -2.102 -3.504) 4.453 11.382 ( -3.128 -0.222 -1.654) 3.546 11.543 ( 0.308 5.170 -4.058) 6.580 11.783 ( 0.992 3.044 5.248) 6.148 12.006 ( -4.307 2.087 -3.756) 6.084 12.212 ( 8.555 -3.592 5.205) 10.638 12.273 ( -0.268 -2.083 -0.159) 2.106 12.350 ( -1.068 3.001 -1.887) 3.703 12.423 ( 1.704 -4.277 -1.155) 4.747 12.685 ( -0.170 3.934 2.550) 4.691 12.832 ( -2.153 3.693 -1.098) 4.414 13.245 ( -1.223 0.719 -0.370) 1.466 13.539 ( 0.214 -2.909 -1.037) 3.096 13.704 ( 9.577 -6.523 10.503) 15.639 13.897 ( -3.049 2.580 -0.618) 4.042 14.414 ( -2.100 10.692 -4.103) 11.643 14.526 ( 3.717 -8.188 -0.047) 8.992 15.107 ( -2.861 -6.179 3.471) 7.643 15.248 ( -0.179 -6.089 0.614) 6.123 15.458 ( 2.505 -0.056 3.164) 4.036 15.591 ( 0.434 -2.405 1.067) 2.667 15.950 ( -1.891 -3.237 -3.067) 4.843 16.274 ( -2.477 2.264 -1.642) 3.736 16.441 ( 3.355 2.248 4.394) 5.968 16.638 ( 3.065 -8.333 -1.989) 9.098 17.093 ( 0.632 -3.673 -0.953) 3.847 17.253 ( 2.863 -5.760 2.239) 6.811 17.368 ( -1.727 2.676 -1.844) 3.680 17.537 ( -2.198 -0.727 0.650) 2.404 20.023 ( -0.676 -5.623 -4.103) 6.994 20.229 ( 4.850 -8.992 -5.940) 11.818 20.459 ( -2.158 9.362 3.758) 10.316 20.747 ( 0.643 8.100 -1.740) 8.310 22.459 ( -2.014 -12.793 3.541) 13.426 22.714 ( -0.374 0.802 -0.877) 1.245 22.879 ( -0.814 -1.445 2.478) 2.982 23.218 ( 1.075 10.062 -2.186) 10.352 27.744 ( -3.943 -23.091 0.289) 23.427 27.854 ( 8.948 -21.681 3.633) 23.735 28.511 ( 2.646 23.463 2.654) 23.760 29.069 ( -7.411 15.760 -11.772) 21.021 30.863 ( 0.538 -6.551 4.233) 7.818 30.937 ( 1.844 -6.139 3.681) 7.392 31.109 ( 1.431 -11.040 2.450) 11.399 31.382 ( 1.163 1.084 -0.474) 1.659 31.486 ( -1.260 -0.768 -1.127) 1.857 31.625 ( -1.117 7.322 1.183) 7.501 31.764 ( 8.779 4.057 2.233) 9.926 32.772 ( -0.033 1.792 -12.246) 12.376 33.169 ( 0.554 6.125 -11.834) 13.337 33.270 ( -2.716 -6.138 0.946) 6.779 33.347 ( 0.601 1.013 -3.373) 3.573 33.756 ( 2.865 9.708 0.273) 10.126 35.395 ( -1.644 -1.180 2.758) 3.421 35.517 ( -0.512 -1.100 0.955) 1.544 35.634 ( -5.027 -1.732 6.223) 8.185 36.004 ( 2.045 -1.033 -4.057) 4.660 36.243 ( -0.814 -0.935 0.745) 1.446 36.404 ( -6.287 1.245 9.612) 11.553 37.164 ( 5.609 -15.482 7.290) 18.008 38.272 ( -1.918 17.053 -7.946) 18.910 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 3.765 -6.611 0.453) 7.622 2.150 ( 5.376 5.848 7.412) 10.865 2.331 ( -6.890 4.703 -2.744) 8.782 2.462 ( 4.861 -2.159 -3.009) 6.111 2.688 ( 0.362 -6.962 2.845) 7.529 2.885 ( 3.976 -16.707 -0.724) 17.189 3.132 ( -1.905 15.473 1.656) 15.678 3.298 ( -0.886 5.582 -4.621) 7.300 3.435 ( 3.522 6.332 1.979) 7.511 3.465 ( 0.231 -7.766 -3.585) 8.557 3.587 ( 1.521 6.648 -6.650) 9.525 3.684 ( -1.168 1.329 -3.860) 4.246 3.785 ( -2.978 -0.523 -3.847) 4.893 3.904 ( 2.138 10.805 6.541) 12.811 4.092 ( 0.139 -2.162 3.607) 4.207 4.342 ( -4.804 -4.834 -2.200) 7.161 4.451 ( -4.607 -0.270 2.248) 5.133 4.724 ( 2.367 0.570 -2.587) 3.552 4.833 ( 4.204 -3.821 0.063) 5.681 4.968 ( 6.270 4.365 1.703) 7.827 5.243 ( 2.726 0.893 2.214) 3.624 5.279 ( -6.345 -5.432 -5.169) 9.823 5.469 ( -1.885 -2.590 -0.124) 3.206 5.563 ( 5.342 -4.362 3.924) 7.935 5.750 ( -2.380 2.066 1.276) 3.400 5.919 ( -2.450 1.094 -2.188) 3.462 6.027 ( 0.000 -0.640 4.487) 4.532 6.220 ( -3.198 2.418 4.413) 5.962 6.396 ( -3.762 -2.422 -7.393) 8.641 6.539 ( 0.763 3.158 -0.665) 3.316 7.818 ( 0.942 -0.430 0.426) 1.120 7.991 ( 2.509 -0.465 0.749) 2.660 8.122 ( 1.548 -0.919 2.948) 3.454 8.378 ( -2.278 -1.822 -2.376) 3.762 8.965 ( 1.280 1.499 -0.611) 2.063 9.030 ( 0.630 -5.650 -0.116) 5.686 9.124 ( -1.375 2.459 0.449) 2.853 9.365 ( 2.173 0.042 -1.432) 2.602 9.469 ( 2.461 2.438 -0.721) 3.539 9.562 ( 1.089 -1.315 -0.892) 1.926 9.750 ( -2.149 3.372 -0.636) 4.049 9.861 ( -10.381 -2.487 -0.392) 10.682 10.193 ( 7.142 7.556 2.781) 10.762 10.309 ( 0.908 2.344 -0.501) 2.563 10.353 ( -4.546 -4.686 0.103) 6.530 10.586 ( 2.488 0.373 -0.794) 2.638 10.939 ( -1.341 -0.431 2.943) 3.263 11.311 ( -0.906 -4.162 -0.945) 4.363 11.369 ( -1.965 0.558 2.998) 3.628 11.478 ( 4.479 1.757 -1.324) 4.990 11.716 ( -3.191 4.039 0.591) 5.181 11.912 ( 2.192 5.836 -3.073) 6.951 12.271 ( 2.150 0.024 0.686) 2.257 12.346 ( 0.213 -0.319 1.607) 1.652 12.387 ( 1.234 -6.207 0.267) 6.334 12.554 ( 0.086 -9.518 -4.517) 10.536 12.618 ( -1.945 1.285 -0.659) 2.422 12.674 ( -2.373 8.689 0.598) 9.027 13.255 ( -0.619 -1.557 2.375) 2.907 13.566 ( -0.950 -0.622 -2.045) 2.338 13.781 ( 1.046 3.894 0.665) 4.086 13.934 ( 5.920 2.220 1.560) 6.512 14.263 ( -1.021 -0.718 3.598) 3.808 14.655 ( 0.226 -4.367 -2.414) 4.995 15.145 ( -4.139 0.718 2.497) 4.887 15.373 ( -0.479 -2.182 -0.818) 2.379 15.414 ( 4.129 3.423 1.434) 5.552 15.524 ( -3.730 1.042 -2.583) 4.655 16.080 ( 1.158 -3.949 2.854) 5.008 16.194 ( -2.728 1.429 0.795) 3.180 16.432 ( 4.373 4.349 1.871) 6.445 16.744 ( -0.823 -4.451 -7.073) 8.398 17.158 ( 1.133 -1.899 0.511) 2.269 17.276 ( -2.081 3.465 -2.521) 4.764 17.383 ( 3.862 -3.507 2.989) 6.012 17.518 ( -3.656 0.427 0.261) 3.690 20.147 ( 1.209 -9.279 -2.470) 9.678 20.219 ( 0.303 7.894 0.391) 7.909 20.490 ( 2.582 -8.297 -0.910) 8.737 20.598 ( -0.720 6.327 -1.769) 6.609 22.573 ( -1.302 10.055 2.720) 10.497 22.665 ( -2.647 -9.346 2.460) 10.020 22.999 ( 1.749 4.554 -1.925) 5.244 23.044 ( 0.650 -3.018 -1.839) 3.593 28.064 ( -2.077 3.678 1.275) 4.412 28.184 ( 0.477 -1.613 1.838) 2.492 28.307 ( 7.927 -13.738 2.781) 16.103 28.670 ( -6.318 9.178 -11.257) 15.839 30.992 ( -1.838 1.316 2.458) 3.339 31.009 ( -0.686 -4.273 3.264) 5.420 31.226 ( 0.291 0.641 -0.454) 0.838 31.346 ( -0.137 -0.521 -0.515) 0.746 31.487 ( 1.449 -0.711 0.569) 1.712 31.526 ( -4.120 1.032 2.091) 4.734 31.866 ( 11.422 -0.103 -1.384) 11.506 32.569 ( 4.545 6.192 -15.116) 16.956 33.104 ( -0.606 -0.793 0.733) 1.238 33.300 ( -0.192 1.166 3.068) 3.288 33.418 ( 0.344 -4.867 -2.897) 5.675 33.634 ( 1.108 3.715 -1.011) 4.006 35.410 ( -1.981 -0.271 3.089) 3.679 35.528 ( -0.564 0.212 1.069) 1.227 35.653 ( -4.030 -0.368 5.671) 6.967 36.022 ( 2.029 -1.488 -3.592) 4.385 36.261 ( -2.396 -1.742 1.298) 3.234 36.378 ( -7.257 1.706 10.662) 13.010 37.459 ( 3.814 -5.716 -0.354) 6.881 37.978 ( 1.516 6.007 -6.188) 8.756 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -9.527 -0.000 0.803) 9.561 2.056 ( -22.344 -0.000 -5.253) 22.953 2.174 ( 6.713 0.000 1.577) 6.895 2.553 ( 6.447 0.000 -1.800) 6.693 2.744 ( 11.530 0.000 -12.352) 16.897 2.847 ( 8.285 0.000 -8.359) 11.769 2.987 ( 0.444 0.000 -2.411) 2.452 2.992 ( -1.377 -0.000 -3.962) 4.194 3.036 ( -19.891 -0.000 -10.441) 22.465 3.285 ( 7.347 0.000 0.461) 7.361 3.569 ( 12.009 0.000 1.619) 12.117 3.620 ( 0.808 0.000 -2.494) 2.621 3.793 ( -4.644 -0.000 -0.416) 4.662 3.837 ( 8.007 0.000 1.275) 8.108 4.008 ( 2.921 0.000 12.184) 12.529 4.275 ( -4.718 -0.000 3.260) 5.735 4.340 ( -4.209 -0.000 13.358) 14.005 4.753 ( -3.133 -0.000 -2.041) 3.739 4.932 ( -1.473 -0.000 5.877) 6.059 4.945 ( -2.654 -0.000 -3.088) 4.071 5.070 ( 1.820 0.000 -1.634) 2.446 5.346 ( 1.764 0.000 -4.472) 4.807 5.577 ( 2.549 0.000 -1.821) 3.132 5.720 ( -3.522 -0.000 -1.191) 3.718 5.844 ( -1.512 -0.000 4.790) 5.023 6.030 ( 7.781 0.000 -0.804) 7.823 6.114 ( -5.200 -0.000 4.067) 6.601 6.291 ( 1.938 0.000 -0.284) 1.959 6.552 ( -2.150 -0.000 1.845) 2.833 6.594 ( 0.005 0.000 2.528) 2.528 7.874 ( -5.081 -0.000 -4.769) 6.969 8.105 ( -5.862 -0.000 -2.480) 6.365 8.203 ( 5.919 0.000 2.211) 6.319 8.373 ( -0.228 -0.000 -5.282) 5.287 8.867 ( 10.045 0.000 12.537) 16.065 8.977 ( 0.159 0.000 3.601) 3.605 9.272 ( -0.895 -0.000 0.367) 0.967 9.394 ( -3.403 -0.000 -4.052) 5.291 9.541 ( 3.331 0.000 3.524) 4.849 9.568 ( -1.620 -0.000 -6.638) 6.833 9.846 ( 2.489 0.000 3.043) 3.931 9.949 ( -5.645 -0.000 -7.672) 9.525 10.207 ( -6.985 -0.000 -9.376) 11.692 10.308 ( 1.391 0.000 0.001) 1.391 10.691 ( -3.067 -0.000 -0.918) 3.202 11.007 ( -5.675 -0.000 5.596) 7.970 11.101 ( -0.603 -0.000 -4.521) 4.561 11.141 ( 3.678 0.000 -0.663) 3.737 11.432 ( -1.389 -0.000 -0.498) 1.475 11.728 ( 5.824 0.000 0.409) 5.838 11.781 ( -8.730 -0.000 -1.078) 8.796 11.894 ( -6.302 -0.000 -3.222) 7.077 12.264 ( 5.834 0.000 7.919) 9.836 12.363 ( 4.161 0.000 4.005) 5.775 12.482 ( 11.809 0.000 6.635) 13.545 12.706 ( -4.965 -0.000 -6.053) 7.829 12.851 ( 12.306 0.000 -1.395) 12.385 12.915 ( -0.491 -0.000 -5.751) 5.772 13.285 ( -5.062 -0.000 0.472) 5.084 13.446 ( 2.437 0.000 5.481) 5.999 13.545 ( -6.238 -0.000 -4.906) 7.936 13.704 ( -1.346 -0.000 -0.485) 1.431 14.426 ( 10.792 0.000 10.964) 15.384 14.484 ( 1.464 0.000 -0.548) 1.563 14.541 ( 4.682 0.000 0.791) 4.748 14.887 ( -0.654 -0.000 7.204) 7.233 15.017 ( 0.097 0.000 -0.536) 0.544 15.263 ( 1.012 0.000 -0.740) 1.254 15.822 ( -2.663 -0.000 -10.037) 10.384 16.444 ( -2.179 -0.000 -6.716) 7.060 16.616 ( 2.307 0.000 6.173) 6.590 16.688 ( 1.414 0.000 5.333) 5.517 16.898 ( -0.056 -0.000 -0.099) 0.113 16.991 ( 1.048 0.000 0.528) 1.174 17.211 ( 0.685 0.000 1.028) 1.236 17.535 ( -3.354 -0.000 -0.833) 3.456 19.882 ( 2.949 0.000 -4.727) 5.571 20.049 ( -4.964 -0.000 -5.747) 7.593 20.945 ( -1.446 -0.000 -0.165) 1.456 20.992 ( -0.264 -0.000 -0.291) 0.393 21.949 ( -0.386 -0.000 4.450) 4.467 22.374 ( 0.728 0.000 -1.814) 1.954 23.252 ( -1.426 -0.000 2.169) 2.596 23.505 ( 0.897 0.000 -1.911) 2.111 26.963 ( -0.113 -0.000 0.066) 0.131 26.964 ( 0.097 0.000 0.067) 0.118 29.426 ( 1.355 0.000 -0.067) 1.356 29.666 ( -2.131 -0.000 -3.531) 4.124 30.307 ( 4.339 0.000 5.298) 6.848 30.676 ( 0.123 0.000 3.340) 3.343 30.693 ( 2.323 0.000 2.910) 3.723 31.259 ( 2.592 0.000 -0.860) 2.731 31.382 ( -0.951 -0.000 0.665) 1.160 32.025 ( 0.501 0.000 -0.720) 0.877 32.189 ( -1.599 -0.000 -2.956) 3.360 32.474 ( 0.135 0.000 -1.046) 1.055 32.785 ( 1.522 0.000 -0.894) 1.765 33.439 ( -2.245 -0.000 5.593) 6.027 33.864 ( 11.092 0.000 -22.507) 25.092 34.237 ( 16.495 0.000 -32.276) 36.247 35.315 ( -0.344 -0.000 1.946) 1.976 35.513 ( -0.369 -0.000 -0.776) 0.859 35.570 ( -6.465 -0.000 5.901) 8.754 35.960 ( 3.072 0.000 -2.285) 3.829 36.155 ( -4.067 -0.000 2.586) 4.819 36.234 ( 1.166 0.000 -0.417) 1.238 36.724 ( -12.763 -0.000 37.580) 39.689 38.966 ( -3.749 -0.000 -4.740) 6.043 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -19.756 4.158 -2.542) 20.348 1.768 ( -14.950 -1.470 -5.986) 16.171 2.320 ( 9.391 -4.358 -2.546) 10.661 2.518 ( -2.617 2.219 -1.883) 3.914 2.687 ( 6.389 -0.212 -17.963) 19.067 2.793 ( -20.200 -0.979 -12.734) 23.899 2.905 ( 2.137 -7.037 0.601) 7.379 3.147 ( 2.534 -1.304 -2.722) 3.941 3.213 ( 7.005 -21.519 -2.793) 22.803 3.357 ( 6.834 -3.512 4.539) 8.924 3.583 ( 1.218 1.104 -4.043) 4.365 3.678 ( 12.844 1.650 2.965) 13.285 3.812 ( -2.362 -4.286 -2.071) 5.314 3.850 ( 2.962 3.347 2.116) 4.945 4.074 ( 1.045 2.418 12.915) 13.181 4.310 ( -4.103 -4.794 4.050) 7.498 4.364 ( -5.518 0.327 9.064) 10.617 4.707 ( 1.209 2.188 -3.721) 4.483 4.836 ( 0.659 5.898 0.234) 5.939 4.984 ( 0.080 -2.138 4.558) 5.035 5.136 ( 1.445 -4.149 1.235) 4.564 5.293 ( 1.159 3.375 -4.448) 5.702 5.604 ( -7.942 0.436 -3.852) 8.838 5.680 ( 4.446 -2.942 -0.748) 5.383 5.870 ( -4.745 -0.045 2.912) 5.567 6.023 ( 0.009 8.635 3.867) 9.461 6.096 ( -0.793 -3.400 -0.587) 3.541 6.281 ( 4.851 3.124 2.714) 6.376 6.507 ( -2.044 6.139 1.549) 6.653 6.581 ( -1.605 0.026 2.004) 2.568 7.805 ( -2.764 0.808 -2.346) 3.714 8.033 ( -5.388 0.537 -2.353) 5.904 8.244 ( 6.556 2.927 -0.977) 7.246 8.328 ( 0.547 1.208 -4.556) 4.745 8.912 ( 3.294 3.667 6.485) 8.146 9.089 ( 5.587 1.396 4.079) 7.057 9.234 ( 0.476 0.656 6.202) 6.255 9.355 ( -2.317 -0.955 -2.872) 3.812 9.500 ( -2.544 0.031 -7.599) 8.014 9.580 ( -1.257 0.426 1.676) 2.138 9.855 ( -4.962 -0.729 -5.756) 7.635 9.929 ( 2.392 -4.130 4.273) 6.406 10.117 ( -3.905 -0.462 -9.222) 10.025 10.332 ( -0.693 -1.420 -2.205) 2.712 10.590 ( -3.939 6.290 -0.876) 7.473 10.966 ( -3.935 3.752 1.560) 5.657 11.018 ( -2.725 3.943 -1.733) 5.096 11.195 ( 3.939 -2.161 0.635) 4.537 11.410 ( -3.415 0.492 -3.127) 4.657 11.683 ( -3.359 2.565 -4.625) 6.265 11.779 ( 1.745 -0.266 2.486) 3.049 11.886 ( -3.568 -6.070 -2.349) 7.422 12.264 ( 0.346 8.094 0.828) 8.143 12.438 ( 9.552 1.104 7.772) 12.364 12.500 ( -2.087 10.160 -0.137) 10.373 12.592 ( -0.632 2.540 -1.041) 2.817 12.826 ( 4.952 5.000 0.266) 7.043 12.866 ( 7.526 4.506 0.221) 8.775 13.239 ( -2.360 0.242 0.098) 2.374 13.462 ( 0.964 -3.124 5.362) 6.280 13.641 ( -0.334 3.894 -0.804) 3.990 13.685 ( -5.154 -11.781 -2.275) 13.059 14.439 ( 6.796 3.108 3.880) 8.421 14.609 ( 3.121 -8.580 -2.289) 9.412 14.855 ( 2.395 0.549 5.909) 6.399 14.908 ( -1.060 -17.655 3.762) 18.082 15.183 ( 7.195 -11.826 8.347) 16.165 15.259 ( 0.998 -1.527 -0.038) 1.824 15.832 ( -1.889 -7.802 -10.219) 12.995 16.348 ( -2.726 3.645 -6.916) 8.280 16.595 ( 0.895 5.899 3.350) 6.843 16.632 ( 2.665 7.310 6.134) 9.908 16.952 ( 1.166 -4.442 0.374) 4.608 17.053 ( 1.371 -4.213 0.691) 4.484 17.296 ( 0.930 -5.969 1.361) 6.192 17.500 ( -4.495 -0.659 -1.656) 4.836 19.932 ( 5.198 -4.901 -5.017) 8.730 19.960 ( -4.558 0.686 -7.355) 8.680 20.829 ( -1.906 8.798 0.806) 9.038 20.983 ( 0.599 2.910 -1.227) 3.215 22.044 ( -0.891 -7.797 5.699) 9.699 22.434 ( 0.274 -7.031 -2.139) 7.354 23.165 ( -2.646 8.487 2.277) 9.177 23.471 ( 1.136 3.547 -2.045) 4.249 27.069 ( -1.066 -11.737 0.223) 11.788 27.118 ( 3.044 -15.666 0.965) 15.988 29.265 ( 2.346 16.727 1.334) 16.943 29.550 ( -5.051 8.089 -5.801) 11.163 30.533 ( 4.393 -14.316 7.701) 16.838 30.714 ( 1.552 -1.605 3.633) 4.264 30.772 ( 3.684 -3.833 3.311) 6.263 31.309 ( 3.783 -2.419 -0.184) 4.494 31.409 ( 0.797 -2.548 1.005) 2.853 31.934 ( -0.055 8.299 0.037) 8.299 32.066 ( -1.480 8.566 -3.610) 9.412 32.550 ( -1.481 -8.240 -1.818) 8.567 32.876 ( -0.482 -8.883 -1.632) 9.045 33.439 ( -0.522 2.255 5.510) 5.976 33.698 ( 12.414 10.887 -40.356) 43.603 34.093 ( 6.754 8.252 -14.407) 17.924 35.338 ( -0.648 -1.412 2.205) 2.697 35.493 ( -0.901 0.677 0.521) 1.242 35.566 ( -5.536 -1.298 5.449) 7.875 35.979 ( 2.019 -0.461 -2.951) 3.605 36.225 ( -0.371 -3.765 0.241) 3.791 36.268 ( 4.133 -5.227 -0.623) 6.692 36.853 ( -10.439 -0.649 39.874) 41.223 38.802 ( -5.730 9.476 -7.830) 13.562 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -7.575 -11.639 -2.739) 14.154 1.762 ( -13.494 -12.269 -6.544) 19.376 2.319 ( 6.669 0.311 -14.754) 16.194 2.441 ( -2.448 1.963 -3.231) 4.504 2.595 ( -15.764 -0.934 -6.172) 16.955 2.830 ( -0.833 -10.064 -3.602) 10.721 3.070 ( 3.988 0.068 -1.147) 4.151 3.171 ( -4.653 -14.917 -1.651) 15.712 3.442 ( 3.469 0.059 0.217) 3.476 3.524 ( 1.275 -3.617 3.494) 5.188 3.617 ( 2.470 -4.725 -5.194) 7.443 3.710 ( 10.098 2.579 -1.817) 10.579 3.835 ( -1.162 0.379 1.566) 1.986 3.884 ( 1.185 -5.086 -0.316) 5.232 4.106 ( 0.003 1.677 11.335) 11.459 4.289 ( -7.787 3.488 5.097) 9.939 4.409 ( -0.850 -3.094 -1.131) 3.402 4.706 ( 5.229 -0.972 1.616) 5.558 4.790 ( 3.231 2.217 2.588) 4.696 5.067 ( 1.481 -4.458 1.957) 5.089 5.197 ( 0.759 -1.103 1.142) 1.760 5.242 ( 6.925 4.102 -0.754) 8.084 5.481 ( -5.217 2.894 -2.379) 6.423 5.776 ( -0.049 -2.906 -1.496) 3.269 5.810 ( -1.941 1.496 -0.008) 2.450 5.847 ( -0.291 12.488 4.363) 13.231 6.111 ( -7.842 -1.668 -6.379) 10.245 6.302 ( 6.007 1.498 3.490) 7.107 6.379 ( -0.748 6.860 6.036) 9.168 6.584 ( -1.776 -0.418 1.502) 2.363 7.794 ( 1.147 -0.534 0.387) 1.323 7.976 ( -3.897 -0.086 -2.881) 4.847 8.177 ( -0.751 3.207 -5.847) 6.711 8.336 ( 6.546 0.727 1.920) 6.860 8.897 ( -1.814 1.255 1.451) 2.640 9.061 ( 5.305 3.890 0.770) 6.624 9.223 ( -4.714 1.104 -2.074) 5.267 9.370 ( 0.375 -0.801 -1.326) 1.594 9.493 ( 3.464 1.223 4.407) 5.738 9.569 ( 0.349 -0.165 -0.451) 0.594 9.792 ( -7.408 -1.357 -4.923) 8.997 10.029 ( -3.713 1.051 -8.729) 9.544 10.098 ( 3.469 -4.281 8.030) 9.739 10.289 ( -4.140 1.411 -0.295) 4.384 10.451 ( -1.053 5.754 0.291) 5.857 10.799 ( -3.220 8.013 -5.187) 10.074 10.980 ( -0.958 1.097 4.359) 4.596 11.247 ( 0.901 0.549 -3.815) 3.958 11.329 ( -3.355 -0.567 -2.063) 3.979 11.601 ( 0.974 3.364 -4.703) 5.864 11.833 ( -0.665 -3.726 5.777) 6.906 11.925 ( -8.126 1.011 -5.427) 9.823 12.132 ( -0.838 -2.822 1.398) 3.258 12.353 ( 2.570 6.094 1.378) 6.755 12.453 ( -0.146 7.572 -3.493) 8.340 12.517 ( 7.436 4.803 5.356) 10.347 12.811 ( 2.535 4.794 4.515) 7.056 12.830 ( 0.596 1.198 -1.761) 2.212 13.241 ( -1.251 -0.630 -0.687) 1.560 13.517 ( 1.315 0.556 -0.316) 1.462 13.705 ( 6.659 -6.868 8.785) 12.988 13.787 ( -8.553 -6.853 -1.957) 11.133 14.492 ( 6.927 -1.437 1.166) 7.170 14.549 ( -3.334 9.143 -6.545) 11.729 14.970 ( -2.215 -8.829 4.931) 10.352 15.158 ( 0.702 -6.902 1.003) 7.010 15.365 ( 1.116 -8.456 3.517) 9.226 15.558 ( 8.328 -11.160 8.212) 16.166 15.881 ( -0.864 -2.989 -6.979) 7.641 16.215 ( -5.597 1.782 -5.640) 8.143 16.497 ( -0.229 5.617 2.593) 6.191 16.674 ( 11.143 -1.444 5.260) 12.407 17.022 ( -0.541 -3.508 -0.787) 3.635 17.175 ( 4.002 -6.552 0.956) 7.736 17.370 ( -0.751 -0.735 -0.689) 1.256 17.489 ( -3.611 -2.396 -0.726) 4.394 19.909 ( -2.031 -2.935 -6.049) 7.024 20.073 ( 6.894 -8.615 -5.765) 12.449 20.645 ( -2.360 10.466 2.156) 10.943 20.884 ( 0.762 7.350 -1.611) 7.563 22.250 ( -1.922 -11.588 5.922) 13.154 22.582 ( 0.802 -9.922 -2.300) 10.217 22.989 ( -3.095 9.060 3.355) 10.145 23.371 ( 1.467 7.377 -2.189) 7.834 27.336 ( -2.645 -18.911 -0.096) 19.096 27.556 ( 11.810 -23.822 4.277) 26.930 28.950 ( 2.655 21.261 2.721) 21.598 29.240 ( -7.515 15.826 -9.078) 19.732 30.797 ( 1.236 -4.209 3.493) 5.607 30.844 ( 2.241 -9.635 6.616) 11.901 30.939 ( 3.657 -10.462 3.668) 11.674 31.369 ( 0.530 -2.485 -1.050) 2.749 31.477 ( 3.525 -0.631 1.289) 3.806 31.778 ( -0.496 9.266 0.314) 9.285 31.894 ( 1.218 5.743 -1.463) 6.051 32.658 ( -2.393 -6.081 -7.349) 9.834 33.040 ( -0.634 -10.948 -2.920) 11.348 33.262 ( 0.571 13.562 -35.484) 37.992 33.418 ( 0.474 3.589 3.848) 5.283 33.939 ( 3.032 8.475 -2.463) 9.332 35.371 ( -1.484 -1.599 2.415) 3.254 35.495 ( -0.632 -1.115 0.449) 1.358 35.592 ( -4.635 -2.318 5.695) 7.700 35.982 ( 2.009 -0.522 -3.591) 4.148 36.249 ( 1.807 0.446 1.083) 2.153 36.400 ( -1.183 -3.618 3.996) 5.519 37.063 ( -0.434 -7.066 26.148) 27.090 38.486 ( -5.098 14.739 -9.766) 18.401 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -10.465 -17.232 -4.731) 20.709 1.962 ( -2.041 -19.386 -7.378) 20.843 2.342 ( -3.114 -3.905 -3.981) 6.387 2.384 ( -0.040 -3.078 -7.384) 8.000 2.597 ( 0.189 -10.901 -1.661) 11.028 2.796 ( 1.028 7.340 4.019) 8.431 3.202 ( 1.062 -10.159 -5.549) 11.624 3.332 ( 0.083 -1.435 -1.129) 1.828 3.449 ( -3.306 6.814 2.012) 7.836 3.472 ( -7.692 -4.464 -1.935) 9.102 3.595 ( 1.637 5.380 -4.706) 7.333 3.753 ( 4.336 0.236 -2.839) 5.188 3.786 ( 1.785 4.865 0.311) 5.191 3.998 ( 0.875 -3.687 2.261) 4.412 4.100 ( -7.523 1.827 11.465) 13.834 4.265 ( 4.512 -1.204 0.601) 4.708 4.415 ( -0.776 -0.111 0.398) 0.879 4.768 ( 2.081 3.609 -0.110) 4.168 4.805 ( 4.008 -3.742 1.002) 5.574 5.141 ( -4.437 -1.558 0.654) 4.748 5.186 ( 6.918 5.233 -0.567) 8.693 5.293 ( 10.192 0.165 3.617) 10.815 5.459 ( 2.859 -2.172 2.098) 4.158 5.605 ( -0.417 8.888 -1.938) 9.106 5.783 ( -3.888 2.210 0.127) 4.474 5.830 ( -3.515 -3.167 1.679) 5.021 6.004 ( -7.752 -0.894 -5.504) 9.550 6.294 ( -0.995 4.569 2.108) 5.129 6.364 ( 4.622 0.135 3.403) 5.741 6.585 ( 0.837 1.218 2.016) 2.499 7.804 ( -1.606 -0.233 -1.239) 2.042 7.943 ( -3.580 -0.782 -7.302) 8.170 8.133 ( 0.825 -1.184 2.822) 3.170 8.396 ( 6.070 -0.227 2.919) 6.739 8.884 ( -2.061 -2.067 -1.770) 3.413 9.058 ( 4.815 1.343 -0.169) 5.002 9.148 ( -3.111 1.891 -0.745) 3.715 9.377 ( 1.978 0.274 -1.853) 2.724 9.518 ( 0.580 0.585 1.280) 1.523 9.560 ( 3.284 1.363 0.389) 3.577 9.729 ( -8.912 -1.460 -2.654) 9.412 9.877 ( -0.129 8.873 -1.127) 8.945 10.182 ( -8.649 -6.616 1.258) 10.962 10.323 ( -0.464 -1.574 0.450) 1.701 10.378 ( 4.361 4.587 2.565) 6.829 10.632 ( -0.586 4.713 -2.757) 5.491 10.967 ( -0.547 2.466 2.975) 3.902 11.218 ( -0.468 -3.449 -2.453) 4.258 11.357 ( -0.503 -1.108 0.788) 1.450 11.536 ( 2.372 2.287 -1.742) 3.727 11.741 ( -9.515 4.769 -2.495) 10.931 11.946 ( -1.105 -3.514 2.669) 4.549 12.265 ( 0.976 -3.417 -1.835) 3.999 12.328 ( 0.456 4.384 -0.877) 4.494 12.347 ( 3.808 -7.348 0.747) 8.310 12.493 ( 5.453 4.282 0.834) 6.984 12.709 ( -0.391 8.365 0.773) 8.410 12.790 ( -0.237 5.037 1.746) 5.337 13.237 ( -1.048 -0.916 1.230) 1.858 13.542 ( 2.453 -1.240 -1.501) 3.132 13.789 ( -6.067 -2.071 -0.453) 6.427 13.936 ( 2.539 -6.961 5.116) 9.005 14.299 ( -5.780 8.370 -5.100) 11.379 14.589 ( 5.034 -3.379 -1.594) 6.269 15.094 ( -2.833 -4.929 3.089) 6.470 15.287 ( 3.203 -5.369 2.971) 6.921 15.464 ( -2.400 -1.716 -1.137) 3.162 15.646 ( 3.829 9.392 2.734) 10.505 15.964 ( 1.364 -9.556 3.398) 10.233 16.167 ( -5.663 -3.272 -6.278) 9.066 16.422 ( -3.143 2.256 -1.018) 4.001 16.808 ( 12.812 2.374 3.897) 13.600 17.098 ( 1.014 -5.249 1.102) 5.458 17.303 ( 1.975 0.570 -6.073) 6.411 17.356 ( 1.049 -3.396 5.477) 6.530 17.485 ( -4.172 -0.545 -1.234) 4.385 19.978 ( 0.311 -8.137 -2.992) 8.676 20.249 ( 6.896 -6.753 -7.137) 12.004 20.472 ( -2.098 6.784 4.445) 8.377 20.730 ( -0.112 8.925 -1.970) 9.140 22.456 ( -4.282 -10.592 4.100) 12.138 22.727 ( 2.516 -1.685 -0.014) 3.029 22.885 ( -1.389 -0.753 2.372) 2.850 23.211 ( 1.519 10.270 -2.405) 10.656 27.681 ( -3.285 -22.235 -0.709) 22.488 28.124 ( 17.773 -20.831 7.151) 28.301 28.590 ( 2.148 23.062 3.691) 23.454 28.807 ( -8.187 17.864 -10.998) 22.519 30.912 ( -0.189 -5.746 2.711) 6.356 31.004 ( 0.984 -3.743 3.808) 5.429 31.140 ( -0.389 -7.377 1.575) 7.553 31.394 ( -0.592 0.669 -0.142) 0.904 31.467 ( 0.199 1.694 -0.199) 1.717 31.596 ( -1.490 7.568 -0.163) 7.715 31.909 ( 4.620 -0.979 -2.683) 5.432 32.565 ( 0.040 2.385 -19.916) 20.058 33.028 ( -3.235 -3.138 -6.649) 8.033 33.231 ( -0.303 -11.460 -2.303) 11.693 33.374 ( 0.328 4.115 3.781) 5.598 33.790 ( 1.918 9.560 -0.850) 9.788 35.396 ( -2.175 -1.199 2.621) 3.611 35.517 ( -0.460 -1.322 0.307) 1.433 35.632 ( -4.294 -1.965 6.128) 7.736 35.992 ( 2.444 -1.095 -3.874) 4.709 36.257 ( 1.172 0.827 1.636) 2.175 36.419 ( -6.419 1.651 10.093) 12.074 37.357 ( 6.198 -10.345 9.079) 15.096 38.127 ( -3.109 14.395 -9.511) 17.531 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -23.924 -0.000 -3.137) 24.129 1.520 ( -31.196 -0.000 -10.299) 32.852 2.343 ( 3.870 0.000 3.455) 5.187 2.465 ( -27.626 -0.000 -13.667) 30.821 2.500 ( 3.592 0.000 -19.753) 20.076 2.852 ( 1.732 0.000 1.890) 2.563 2.905 ( 8.911 0.000 -8.609) 12.390 2.944 ( 1.636 0.000 -1.498) 2.218 3.048 ( 12.696 0.000 -0.046) 12.696 3.427 ( 6.621 0.000 -0.669) 6.655 3.597 ( 1.093 0.000 0.036) 1.094 3.708 ( -2.560 -0.000 -1.281) 2.862 3.885 ( 18.711 0.000 2.492) 18.876 3.889 ( -6.464 -0.000 2.809) 7.048 4.123 ( -7.168 -0.000 6.397) 9.608 4.313 ( 3.356 0.000 12.715) 13.150 4.369 ( -1.331 -0.000 2.430) 2.771 4.729 ( 4.561 0.000 -2.862) 5.384 4.970 ( 4.779 0.000 4.341) 6.457 4.987 ( 1.671 0.000 1.984) 2.594 5.072 ( -1.309 -0.000 3.468) 3.706 5.267 ( -5.445 -0.000 -4.713) 7.201 5.583 ( -2.069 -0.000 -1.218) 2.401 5.597 ( -5.678 -0.000 -4.210) 7.069 5.892 ( 1.674 0.000 5.906) 6.139 6.086 ( -1.669 -0.000 4.051) 4.381 6.119 ( -0.697 -0.000 1.972) 2.092 6.342 ( 3.753 0.000 -0.255) 3.762 6.520 ( -3.741 -0.000 3.006) 4.799 6.609 ( -1.288 -0.000 1.395) 1.899 7.787 ( -0.450 -0.000 0.418) 0.614 7.956 ( -5.538 -0.000 -6.336) 8.415 8.288 ( -2.381 -0.000 -5.783) 6.254 8.349 ( 7.979 0.000 -0.003) 7.979 9.022 ( -0.720 -0.000 3.995) 4.059 9.217 ( 7.610 0.000 3.845) 8.526 9.285 ( -4.132 -0.000 -4.853) 6.373 9.287 ( 5.247 0.000 10.109) 11.390 9.420 ( -5.235 -0.000 -4.839) 7.129 9.574 ( -2.000 -0.000 0.136) 2.005 9.782 ( -2.099 -0.000 -7.451) 7.741 9.847 ( -8.369 -0.000 -0.092) 8.369 10.108 ( 7.634 0.000 -1.609) 7.802 10.280 ( -2.890 -0.000 -4.625) 5.454 10.592 ( -4.610 -0.000 -2.838) 5.414 11.023 ( -2.297 -0.000 9.120) 9.405 11.024 ( -0.350 -0.000 -5.787) 5.798 11.216 ( 4.878 0.000 1.276) 5.042 11.386 ( -2.633 -0.000 -1.176) 2.884 11.648 ( -3.951 -0.000 -4.104) 5.697 11.765 ( -6.064 -0.000 -2.830) 6.692 11.829 ( 5.993 0.000 0.825) 6.049 12.430 ( -5.348 -0.000 0.422) 5.365 12.439 ( 5.502 0.000 5.823) 8.011 12.583 ( -3.516 -0.000 2.248) 4.173 12.639 ( 2.486 0.000 -2.451) 3.491 12.914 ( 2.653 0.000 -1.537) 3.066 12.974 ( 9.722 0.000 -7.276) 12.143 13.253 ( -2.953 -0.000 5.606) 6.336 13.447 ( -0.311 -0.000 0.534) 0.617 13.549 ( 3.423 0.000 4.495) 5.650 13.659 ( -2.705 -0.000 -1.360) 3.028 14.503 ( 2.257 0.000 -1.432) 2.673 14.518 ( 3.085 0.000 -0.028) 3.085 14.782 ( 3.271 0.000 7.978) 8.623 15.019 ( 0.673 0.000 0.049) 0.675 15.049 ( 7.644 0.000 12.487) 14.641 15.271 ( 0.435 0.000 -0.256) 0.505 15.709 ( 2.800 0.000 -4.601) 5.386 16.298 ( -1.966 -0.000 -13.921) 14.059 16.701 ( 0.690 0.000 3.824) 3.886 16.753 ( -0.595 -0.000 4.624) 4.662 16.907 ( 0.593 0.000 1.068) 1.221 17.033 ( 2.704 0.000 1.353) 3.023 17.247 ( 0.634 0.000 3.480) 3.538 17.434 ( -6.069 -0.000 -3.616) 7.065 19.881 ( -5.140 -0.000 -8.626) 10.041 19.910 ( 7.215 0.000 -4.457) 8.480 20.916 ( -1.489 -0.000 -0.614) 1.611 20.993 ( 0.368 0.000 0.487) 0.611 22.000 ( -1.060 -0.000 6.843) 6.925 22.352 ( -0.307 -0.000 -2.386) 2.406 23.247 ( -1.887 -0.000 1.389) 2.343 23.499 ( 1.221 0.000 -1.825) 2.196 26.962 ( -0.159 -0.000 0.068) 0.173 26.967 ( 0.171 0.000 0.165) 0.238 29.456 ( 1.035 0.000 0.963) 1.414 29.552 ( -5.709 -0.000 -4.722) 7.409 30.473 ( 4.665 0.000 10.463) 11.456 30.743 ( 3.013 0.000 3.611) 4.703 30.784 ( 4.221 0.000 2.927) 5.136 31.339 ( 7.793 0.000 0.514) 7.810 31.397 ( 1.161 0.000 1.980) 2.295 32.022 ( 0.313 0.000 -0.740) 0.803 32.107 ( -3.809 -0.000 -3.758) 5.351 32.428 ( -2.970 -0.000 -3.747) 4.782 32.775 ( -1.887 -0.000 -0.226) 1.900 33.488 ( 0.758 0.000 4.729) 4.790 33.645 ( 17.052 0.000 -61.263) 63.592 34.135 ( 5.549 0.000 -13.309) 14.420 35.333 ( -0.661 -0.000 2.182) 2.280 35.498 ( -0.403 -0.000 -0.835) 0.927 35.543 ( -4.658 -0.000 4.898) 6.759 35.993 ( 3.908 0.000 -1.192) 4.085 36.143 ( -0.141 -0.000 0.680) 0.695 36.286 ( 5.085 0.000 0.420) 5.103 37.035 ( -12.172 -0.000 54.268) 55.616 38.781 ( -8.166 -0.000 -10.062) 12.959 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -23.420 -6.921 -2.723) 24.572 1.372 ( -23.052 -10.570 -8.832) 26.854 2.209 ( -33.137 -12.277 -13.039) 37.667 2.361 ( 2.512 1.590 -13.522) 13.845 2.517 ( -1.156 6.550 2.963) 7.281 2.622 ( 6.554 -1.176 -5.963) 8.939 2.864 ( -4.412 -1.832 -1.667) 5.060 3.145 ( 0.661 -2.602 -4.032) 4.844 3.362 ( 10.717 -14.748 1.331) 18.279 3.514 ( 7.078 -6.948 -0.224) 9.921 3.581 ( 4.041 3.789 -0.142) 5.541 3.701 ( -4.364 -2.734 -1.403) 5.337 3.807 ( -4.468 2.756 0.657) 5.291 3.995 ( 10.331 2.968 3.070) 11.178 4.131 ( -2.466 -1.538 3.191) 4.316 4.360 ( 3.731 1.769 0.219) 4.135 4.409 ( 2.023 0.519 11.604) 11.790 4.750 ( 6.112 0.821 -2.136) 6.526 4.919 ( 5.201 5.418 4.368) 8.688 5.025 ( 1.400 -1.349 0.024) 1.945 5.189 ( 1.833 -4.163 4.735) 6.566 5.268 ( -1.485 -5.953 0.795) 6.186 5.436 ( -4.472 5.236 -3.424) 7.690 5.664 ( -5.744 -7.621 -1.224) 9.622 5.882 ( 1.616 6.243 1.956) 6.739 6.042 ( -3.947 7.091 6.383) 10.325 6.063 ( -2.583 3.084 -3.160) 5.115 6.364 ( 1.880 -0.305 -1.151) 2.226 6.510 ( -0.525 3.616 5.330) 6.462 6.583 ( -0.616 0.535 3.178) 3.281 7.809 ( 2.202 0.193 3.105) 3.811 7.890 ( -4.182 -1.458 -7.459) 8.675 8.207 ( -1.137 3.631 -3.357) 5.074 8.391 ( 4.312 0.169 -2.666) 5.072 8.981 ( -1.312 5.191 4.016) 6.693 9.183 ( -3.270 2.260 -4.046) 5.672 9.194 ( 1.167 3.927 1.928) 4.528 9.298 ( -4.491 -2.468 -6.762) 8.484 9.543 ( -4.376 1.033 0.609) 4.537 9.573 ( 8.350 -4.364 11.699) 15.021 9.739 ( 1.310 0.988 -4.568) 4.854 9.848 ( -5.477 -5.956 -2.566) 8.488 10.172 ( 6.990 0.037 1.710) 7.197 10.225 ( -6.678 -0.632 -6.498) 9.339 10.517 ( -3.782 3.256 -0.452) 5.011 10.909 ( 0.122 8.041 -4.069) 9.013 11.049 ( 1.521 2.309 8.670) 9.100 11.266 ( 2.664 0.642 -0.043) 2.741 11.316 ( -2.180 2.767 -1.809) 3.960 11.616 ( 1.136 0.067 -5.274) 5.395 11.724 ( -7.239 -3.099 -0.476) 7.889 11.897 ( 3.624 -1.228 -0.855) 3.921 12.182 ( -11.648 11.353 1.426) 16.328 12.479 ( -1.096 5.134 1.960) 5.603 12.532 ( -1.714 3.688 -3.392) 5.295 12.642 ( 4.456 0.303 1.688) 4.775 12.858 ( 0.844 4.064 -1.587) 4.443 12.960 ( 7.249 3.337 -3.183) 8.592 13.229 ( -2.351 1.636 4.289) 5.157 13.530 ( 1.486 -1.955 0.435) 2.494 13.622 ( -2.879 -3.239 0.537) 4.367 13.668 ( 3.322 -5.025 3.767) 7.105 14.532 ( 3.425 0.472 0.568) 3.504 14.593 ( -0.465 0.349 -6.110) 6.137 14.817 ( -7.134 -5.354 3.612) 9.623 15.048 ( 5.626 -5.872 4.528) 9.308 15.291 ( 3.236 -6.582 1.830) 7.559 15.405 ( 3.912 -15.048 3.862) 16.020 15.781 ( 6.036 -2.603 0.787) 6.620 16.220 ( 1.040 0.100 -11.630) 11.677 16.628 ( -0.166 6.474 2.287) 6.867 16.749 ( 5.196 0.388 3.172) 6.100 16.961 ( 0.187 -3.064 0.587) 3.126 17.106 ( 3.581 -4.535 0.131) 5.780 17.326 ( -0.393 -3.722 2.209) 4.346 17.389 ( -5.668 -3.156 -2.882) 7.099 19.812 ( -2.951 -1.651 -7.100) 7.864 19.984 ( 8.271 -4.249 -4.645) 10.395 20.808 ( -1.897 8.436 0.912) 8.695 20.985 ( 0.930 3.350 -0.395) 3.499 22.102 ( -1.742 -7.150 8.015) 10.881 22.408 ( -0.001 -7.545 -2.572) 7.971 23.144 ( -2.899 8.558 2.088) 9.274 23.474 ( 2.037 3.481 -1.703) 4.378 27.056 ( -0.783 -10.470 0.082) 10.499 27.223 ( 9.052 -24.433 2.760) 26.201 29.309 ( -0.140 15.055 1.161) 15.100 29.390 ( -5.475 10.531 -5.287) 12.993 30.684 ( 2.190 -10.687 8.250) 13.678 30.801 ( 3.369 -1.924 4.568) 5.993 30.865 ( 3.935 -3.767 1.895) 5.768 31.353 ( 1.638 1.685 -0.609) 2.427 31.500 ( 7.404 -3.666 3.229) 8.870 31.934 ( -0.693 7.784 0.922) 7.869 31.976 ( -3.613 6.832 -5.852) 9.694 32.463 ( -3.292 -7.858 -8.795) 12.245 32.839 ( -2.224 -8.446 -0.644) 8.758 33.239 ( 4.861 11.538 -65.807) 66.987 33.503 ( 1.470 2.165 3.896) 4.694 34.065 ( 2.796 5.015 -4.466) 7.274 35.348 ( -1.348 -1.061 2.129) 2.734 35.482 ( -0.595 0.286 -0.297) 0.724 35.553 ( -3.634 -1.587 4.834) 6.252 35.989 ( 2.720 1.389 -1.730) 3.510 36.252 ( 2.551 -6.272 0.834) 6.821 36.338 ( 5.312 -1.937 -0.315) 5.663 37.229 ( -8.030 4.351 53.498) 54.272 38.585 ( -7.079 7.880 -11.318) 15.502 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -19.828 -16.369 -0.329) 25.714 1.486 ( -11.005 -21.820 -9.127) 26.087 2.208 ( -14.490 -12.227 0.444) 18.965 2.295 ( 1.278 -0.494 -10.965) 11.050 2.424 ( 3.533 -2.885 -3.424) 5.704 2.749 ( -3.521 -9.679 -3.588) 10.906 2.986 ( -10.481 -16.581 -1.649) 19.686 3.069 ( -5.332 1.783 -3.867) 6.824 3.481 ( 2.514 4.034 -2.304) 5.282 3.594 ( 0.106 2.756 2.938) 4.029 3.661 ( 8.467 -0.453 -3.267) 9.086 3.726 ( -4.362 -5.585 0.905) 7.144 3.762 ( -0.930 1.135 -0.558) 1.570 4.017 ( 4.088 0.838 3.477) 5.432 4.131 ( -1.517 0.888 -0.689) 1.888 4.355 ( 8.243 5.067 1.248) 9.756 4.497 ( 6.397 0.143 11.475) 13.139 4.775 ( 2.038 -0.799 -0.988) 2.402 4.895 ( 7.486 5.449 -0.017) 9.259 5.125 ( 1.533 -3.699 3.266) 5.167 5.221 ( 3.353 0.583 -0.498) 3.440 5.365 ( 5.017 -0.850 0.872) 5.163 5.434 ( 0.463 -8.793 2.615) 9.185 5.709 ( -5.912 6.969 -2.549) 9.488 5.758 ( -3.827 -3.059 -1.273) 5.062 5.890 ( -5.087 7.286 -3.963) 9.730 5.919 ( -3.527 7.150 4.209) 9.015 6.370 ( 2.756 0.376 -2.688) 3.868 6.438 ( -1.535 4.993 4.720) 7.041 6.632 ( 3.291 -0.226 5.310) 6.251 7.787 ( -4.342 0.661 -4.354) 6.184 7.883 ( 1.193 0.366 0.131) 1.255 8.141 ( 0.173 1.291 0.224) 1.322 8.398 ( 2.026 -1.884 -4.603) 5.371 8.917 ( 1.217 3.232 4.661) 5.801 9.117 ( -0.804 1.816 -2.477) 3.175 9.145 ( 0.063 2.429 0.620) 2.508 9.326 ( -3.039 -5.804 -4.246) 7.807 9.489 ( -6.421 0.326 1.474) 6.596 9.656 ( 2.459 4.796 3.144) 6.240 9.709 ( 2.186 2.429 -0.941) 3.401 9.898 ( -1.602 -5.140 -5.003) 7.350 10.123 ( -3.139 3.568 2.574) 5.405 10.240 ( -3.502 -4.100 -0.218) 5.397 10.445 ( -1.622 1.684 0.241) 2.350 10.740 ( 1.321 8.818 -1.868) 9.110 11.056 ( 1.220 4.879 5.101) 7.164 11.185 ( 0.561 0.924 -0.285) 1.118 11.352 ( 2.654 -1.133 1.494) 3.249 11.574 ( 1.452 2.006 -3.680) 4.436 11.703 ( -11.558 1.499 -3.427) 12.149 11.862 ( -4.704 -2.600 3.832) 6.601 12.135 ( 0.630 -7.566 0.099) 7.593 12.364 ( -2.168 4.615 -1.544) 5.327 12.425 ( 0.591 5.564 -1.550) 5.806 12.632 ( 5.082 4.289 -0.208) 6.653 12.800 ( -0.084 3.692 -2.414) 4.412 12.942 ( 5.378 5.241 3.897) 8.460 13.215 ( -2.358 -0.301 2.233) 3.261 13.545 ( 3.315 -0.464 -1.517) 3.675 13.638 ( -7.614 -4.297 -1.529) 8.875 13.865 ( 3.689 -7.663 5.211) 9.973 14.366 ( -10.325 9.771 -8.034) 16.328 14.569 ( 2.652 -1.892 -0.532) 3.301 14.960 ( -4.105 -8.721 1.880) 9.821 15.223 ( 4.744 -7.966 2.885) 9.710 15.449 ( 5.042 -2.312 4.009) 6.845 15.665 ( -0.310 -11.110 -3.201) 11.566 15.856 ( 1.162 -3.682 0.250) 3.870 16.107 ( -2.090 7.425 -1.031) 7.782 16.517 ( 0.171 7.446 0.839) 7.495 16.939 ( 16.797 -4.433 2.901) 17.613 17.021 ( 0.943 -4.064 0.887) 4.265 17.241 ( 6.222 -6.574 -4.595) 10.151 17.339 ( -3.350 -1.299 1.195) 3.787 17.420 ( -3.569 -2.319 -1.163) 4.412 19.835 ( -0.134 -5.754 -3.482) 6.726 20.129 ( 8.828 -7.668 -6.450) 13.354 20.633 ( -2.583 9.787 2.650) 10.463 20.879 ( 0.704 8.192 -1.276) 8.321 22.266 ( -5.319 -9.107 5.779) 12.026 22.570 ( 1.037 -11.129 -2.640) 11.485 23.004 ( -0.165 7.362 4.965) 8.881 23.378 ( 2.390 7.955 -1.897) 8.521 27.300 ( -1.523 -17.463 -0.193) 17.531 27.906 ( 26.335 -28.103 7.347) 39.208 28.985 ( -3.777 18.574 -2.387) 19.104 29.049 ( -2.526 20.207 -3.512) 20.665 30.826 ( -1.068 -4.373 -0.436) 4.523 30.946 ( 2.096 -5.892 4.749) 7.852 31.008 ( 0.616 -8.066 2.645) 8.511 31.333 ( -4.855 -2.231 -1.830) 5.648 31.567 ( 4.809 4.543 1.907) 6.885 31.743 ( -1.331 10.124 -3.795) 10.894 31.879 ( -1.937 -0.598 -3.735) 4.250 32.432 ( -1.404 -2.276 -27.326) 27.457 32.873 ( -5.607 -3.363 -16.637) 17.876 33.009 ( -1.139 -11.659 -0.438) 11.723 33.476 ( 1.107 4.108 3.158) 5.299 33.953 ( 2.041 7.623 -2.425) 8.256 35.369 ( -1.996 -1.365 2.284) 3.326 35.487 ( -0.474 -1.359 -0.219) 1.456 35.592 ( -3.391 -2.448 5.283) 6.738 35.985 ( 2.850 0.122 -2.518) 3.805 36.315 ( 3.305 1.610 3.054) 4.779 36.423 ( -2.062 -2.484 3.842) 5.018 37.371 ( -1.139 0.383 28.828) 28.853 38.290 ( -4.054 12.688 -10.968) 17.255 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -30.989 -0.000 -8.468) 32.125 1.034 ( -30.830 -0.000 -0.065) 30.830 1.688 ( -45.325 -0.000 -10.895) 46.616 2.286 ( -4.246 -0.000 -14.033) 14.661 2.461 ( -6.324 -0.000 6.889) 9.351 2.814 ( -5.536 -0.000 -1.218) 5.668 2.897 ( 1.553 0.000 0.102) 1.556 3.131 ( 23.481 0.000 -6.541) 24.375 3.271 ( 9.008 0.000 0.784) 9.042 3.447 ( 7.560 0.000 -4.554) 8.826 3.621 ( -5.396 -0.000 -2.338) 5.881 3.675 ( 1.803 0.000 1.763) 2.522 3.804 ( -1.941 -0.000 0.833) 2.112 4.030 ( -5.662 -0.000 6.072) 8.302 4.199 ( 13.638 0.000 -1.956) 13.777 4.377 ( 2.879 0.000 -3.668) 4.663 4.506 ( -1.325 -0.000 13.240) 13.307 4.793 ( 6.515 0.000 -1.747) 6.746 5.032 ( -3.565 -0.000 -5.316) 6.400 5.045 ( 9.075 0.000 -0.680) 9.101 5.108 ( -4.922 -0.000 7.838) 9.256 5.219 ( 3.290 0.000 7.383) 8.083 5.488 ( -8.016 -0.000 1.199) 8.105 5.554 ( 5.264 0.000 0.175) 5.267 5.978 ( 0.930 0.000 2.016) 2.220 6.059 ( -4.983 -0.000 -0.752) 5.039 6.103 ( -6.846 -0.000 5.449) 8.750 6.332 ( -1.129 -0.000 -3.681) 3.850 6.580 ( 2.620 0.000 7.476) 7.921 6.598 ( -1.288 -0.000 1.063) 1.670 7.777 ( -6.587 -0.000 -8.906) 11.077 7.886 ( 6.889 0.000 7.077) 9.876 8.240 ( 2.437 0.000 -0.364) 2.464 8.388 ( 0.543 0.000 -5.379) 5.407 9.028 ( -2.809 -0.000 2.450) 3.727 9.161 ( -4.260 -0.000 -5.034) 6.595 9.161 ( -6.632 -0.000 -3.712) 7.600 9.247 ( -2.518 -0.000 -0.479) 2.563 9.518 ( -5.754 -0.000 1.671) 5.992 9.651 ( 4.841 0.000 8.711) 9.966 9.749 ( -1.601 -0.000 -1.373) 2.109 9.809 ( 13.512 0.000 0.224) 13.514 10.123 ( -6.590 -0.000 -8.176) 10.501 10.234 ( 6.322 0.000 0.504) 6.342 10.515 ( -4.436 -0.000 1.806) 4.789 10.990 ( 4.776 0.000 -4.687) 6.692 11.137 ( 1.830 0.000 9.954) 10.121 11.309 ( 3.541 0.000 2.919) 4.589 11.334 ( -2.671 -0.000 -0.798) 2.788 11.583 ( 1.301 0.000 -3.356) 3.599 11.651 ( -3.914 -0.000 -2.410) 4.596 11.925 ( 5.891 0.000 -0.573) 5.919 12.261 ( -13.699 -0.000 4.552) 14.435 12.507 ( 0.857 0.000 -0.659) 1.081 12.568 ( -5.344 -0.000 -0.053) 5.344 12.590 ( -4.048 -0.000 -5.417) 6.762 12.907 ( 1.762 0.000 -0.792) 1.932 12.995 ( 7.145 0.000 -11.400) 13.454 13.306 ( -1.444 -0.000 8.048) 8.177 13.492 ( 0.790 0.000 0.340) 0.860 13.638 ( 1.953 0.000 0.967) 2.179 13.645 ( 4.021 0.000 2.065) 4.520 14.529 ( 3.416 0.000 -2.023) 3.970 14.564 ( 2.745 0.000 -0.333) 2.765 14.832 ( -3.235 -0.000 4.941) 5.906 15.030 ( 1.504 0.000 -3.195) 3.531 15.152 ( -2.208 -0.000 -1.548) 2.697 15.261 ( -1.592 -0.000 -0.778) 1.772 15.914 ( 14.785 0.000 11.194) 18.544 16.029 ( -2.938 -0.000 -31.835) 31.970 16.715 ( -2.401 -0.000 0.955) 2.584 16.769 ( -1.714 -0.000 1.316) 2.161 16.939 ( 1.029 0.000 2.046) 2.290 17.082 ( 2.812 0.000 -1.076) 3.011 17.286 ( -6.227 -0.000 -4.557) 7.717 17.301 ( -1.000 -0.000 6.132) 6.213 19.736 ( -2.154 -0.000 -5.763) 6.152 19.998 ( 8.644 0.000 -1.926) 8.856 20.892 ( -1.004 -0.000 -0.143) 1.015 21.019 ( 1.118 0.000 2.405) 2.652 22.080 ( -0.379 -0.000 10.023) 10.030 22.317 ( -0.218 -0.000 -2.770) 2.778 23.228 ( -1.962 -0.000 0.788) 2.115 23.504 ( 1.704 0.000 -1.512) 2.278 26.960 ( -0.165 -0.000 0.085) 0.186 26.971 ( 0.137 0.000 0.119) 0.181 29.410 ( -5.453 -0.000 -4.328) 6.962 29.465 ( -1.426 -0.000 1.216) 1.874 30.654 ( 3.374 0.000 9.596) 10.172 30.833 ( 3.142 0.000 3.339) 4.585 30.869 ( 3.535 0.000 1.115) 3.707 31.460 ( 1.578 0.000 4.919) 5.166 31.485 ( 10.460 0.000 -2.476) 10.749 31.999 ( -4.993 -0.000 -2.949) 5.799 32.008 ( 0.269 0.000 -6.603) 6.609 32.243 ( -4.981 -0.000 -28.465) 28.898 32.731 ( -3.335 -0.000 0.214) 3.342 32.939 ( -0.309 -0.000 -81.330) 81.330 33.553 ( 1.778 0.000 2.782) 3.302 34.104 ( 2.287 0.000 -4.476) 5.027 35.338 ( -1.469 -0.000 1.816) 2.336 35.483 ( 0.194 0.000 -1.357) 1.371 35.540 ( -2.565 -0.000 4.299) 5.006 36.048 ( 4.460 0.000 -1.223) 4.624 36.160 ( 1.426 0.000 0.325) 1.463 36.385 ( 5.936 0.000 1.533) 6.131 37.646 ( -0.851 -0.000 77.214) 77.218 38.533 ( -6.362 -0.000 -12.067) 13.641 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -27.192 -12.976 0.654) 30.137 0.942 ( -20.064 -21.320 2.467) 29.379 1.544 ( -37.575 -28.803 -0.760) 47.351 2.206 ( -4.625 -2.179 -3.787) 6.362 2.501 ( -2.754 -2.742 -1.856) 4.307 2.676 ( 0.814 1.572 -0.030) 1.771 2.800 ( -1.152 9.094 -0.551) 9.183 3.090 ( 2.233 7.624 -5.169) 9.477 3.499 ( 4.606 -5.645 -0.657) 7.315 3.561 ( -4.553 -1.149 -1.538) 4.941 3.619 ( 5.987 -6.963 -1.883) 9.374 3.698 ( 7.502 -1.454 -1.636) 7.814 3.812 ( 4.880 1.020 0.468) 5.008 4.041 ( -3.608 -1.009 5.178) 6.391 4.178 ( 6.452 5.293 -6.802) 10.766 4.466 ( 9.174 -3.530 1.113) 9.892 4.553 ( -2.710 -2.146 10.271) 10.837 4.827 ( 6.307 2.336 -1.132) 6.820 5.001 ( -0.263 -4.293 -4.009) 5.880 5.092 ( 8.812 3.540 1.330) 9.589 5.216 ( -3.836 -9.890 6.682) 12.537 5.291 ( 4.097 1.563 1.335) 4.583 5.445 ( 0.459 1.706 1.685) 2.441 5.578 ( -1.873 -1.449 1.907) 3.041 5.859 ( -5.038 8.951 -2.100) 10.484 5.967 ( -5.160 5.932 -1.742) 8.053 6.030 ( -6.007 3.849 3.781) 8.075 6.332 ( -0.780 -2.180 -3.138) 3.900 6.544 ( -0.742 4.785 1.900) 5.202 6.665 ( 2.550 -1.792 3.814) 4.925 7.697 ( -5.811 -0.944 -5.349) 7.954 7.988 ( 7.830 1.353 10.527) 13.189 8.199 ( 0.229 5.577 -1.554) 5.794 8.362 ( 1.687 -0.627 -4.702) 5.034 8.995 ( -3.051 3.058 3.806) 5.757 9.078 ( -4.541 -0.107 -3.415) 5.683 9.142 ( -5.046 -4.049 -2.044) 6.784 9.233 ( -0.157 1.634 -0.281) 1.665 9.471 ( -6.402 1.053 2.362) 6.904 9.701 ( 0.143 -2.155 1.694) 2.745 9.763 ( 4.215 -0.018 -0.686) 4.271 9.849 ( -0.490 5.514 -4.826) 7.344 10.037 ( -5.411 -3.850 -3.293) 7.412 10.262 ( 3.913 1.687 1.827) 4.636 10.471 ( -4.149 2.888 3.295) 6.034 10.921 ( 5.217 9.008 -1.174) 10.476 11.205 ( 1.164 4.746 8.294) 9.627 11.246 ( 1.209 3.437 2.181) 4.246 11.356 ( 2.997 -1.849 0.498) 3.557 11.583 ( 0.313 0.209 -4.380) 4.396 11.613 ( -4.670 0.259 -0.677) 4.726 11.863 ( -10.218 7.784 0.401) 12.852 12.071 ( -3.064 1.286 3.578) 4.883 12.405 ( -6.092 4.707 -2.373) 8.056 12.493 ( -0.018 2.294 -1.054) 2.525 12.644 ( -1.130 -4.489 -3.553) 5.835 12.866 ( 2.801 4.535 -3.014) 6.123 12.992 ( 3.981 -1.668 -5.976) 7.372 13.266 ( -2.734 3.428 7.846) 8.988 13.533 ( 0.887 -1.988 -1.619) 2.713 13.598 ( -0.154 3.874 -0.574) 3.919 13.777 ( 4.306 -7.586 2.875) 9.185 14.412 ( -12.134 11.300 -9.100) 18.913 14.570 ( 1.158 1.016 -0.102) 1.544 14.766 ( -3.938 -9.461 2.699) 10.597 15.142 ( 3.157 -5.594 1.750) 6.658 15.343 ( -4.374 -10.739 -3.737) 12.183 15.455 ( 10.629 -13.809 3.136) 17.706 15.863 ( 4.110 -0.815 -11.373) 12.121 16.196 ( 6.910 -3.286 -3.290) 8.329 16.648 ( 1.506 4.979 -0.046) 5.202 16.873 ( 13.250 -14.085 -6.512) 20.405 16.989 ( 2.923 -4.182 -0.051) 5.102 17.140 ( 3.174 -5.033 -3.679) 6.996 17.252 ( -4.615 -3.015 -2.671) 6.126 17.354 ( -2.858 -2.681 3.892) 5.523 19.735 ( 0.331 -3.485 -2.477) 4.288 20.070 ( 7.681 -2.445 -2.611) 8.473 20.795 ( -1.495 8.412 1.632) 8.698 21.004 ( 1.048 4.984 0.807) 5.156 22.146 ( -5.421 -2.475 7.222) 9.363 22.381 ( 0.452 -8.111 -2.857) 8.611 23.149 ( -0.254 5.578 4.115) 6.936 23.496 ( 3.259 3.252 -1.782) 4.937 27.048 ( -0.379 -9.692 0.087) 9.700 27.543 ( 32.471 -44.285 2.345) 54.964 29.208 ( -5.269 13.923 -5.075) 15.728 29.350 ( -1.305 12.599 1.177) 12.721 30.738 ( -2.996 -1.174 -3.668) 4.879 30.901 ( 1.229 -3.586 5.636) 6.793 30.924 ( 2.116 -3.229 0.183) 3.865 31.233 ( -15.473 4.828 -19.442) 25.312 31.671 ( 8.897 -2.272 2.752) 9.586 31.765 ( -4.128 2.232 -22.901) 23.377 31.934 ( -1.518 5.717 1.696) 6.153 32.116 ( -3.487 -9.406 -35.932) 37.306 32.641 ( -7.445 -5.865 -13.697) 16.656 32.804 ( -2.216 -9.437 0.679) 9.717 33.559 ( 1.342 2.287 1.858) 3.238 34.057 ( 1.780 4.209 -3.782) 5.932 35.346 ( -1.673 -0.988 1.858) 2.688 35.471 ( -0.216 0.230 -0.438) 0.540 35.561 ( -2.080 -1.550 4.164) 4.906 36.018 ( 2.884 2.456 -1.093) 3.943 36.297 ( 1.849 -8.287 0.198) 8.493 36.423 ( 4.647 1.509 1.487) 5.107 37.786 ( -5.545 25.249 57.923) 63.430 38.379 ( -2.228 6.624 -10.426) 12.551 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -24.928 -0.000 5.887) 25.614 0.613 ( -30.772 -0.000 12.907) 33.369 0.951 ( -45.672 -0.000 21.062) 50.294 2.149 ( -5.526 -0.000 6.365) 8.430 2.362 ( -8.494 -0.000 -2.129) 8.757 2.710 ( -0.598 -0.000 -5.670) 5.701 2.939 ( 1.298 0.000 0.822) 1.536 3.290 ( -1.428 -0.000 -3.017) 3.338 3.428 ( 17.342 0.000 -3.147) 17.625 3.549 ( -0.685 -0.000 2.942) 3.021 3.556 ( 6.257 0.000 -3.526) 7.182 3.704 ( 6.687 0.000 -3.102) 7.371 3.851 ( 4.763 0.000 -0.654) 4.808 4.052 ( 0.738 0.000 6.378) 6.420 4.266 ( 2.150 0.000 -8.206) 8.483 4.407 ( 4.085 0.000 0.050) 4.086 4.560 ( -5.540 -0.000 9.772) 11.234 4.835 ( -5.160 -0.000 -0.284) 5.168 4.906 ( 1.639 0.000 -3.476) 3.843 5.088 ( 1.730 0.000 -4.056) 4.409 5.322 ( 2.059 0.000 -3.326) 3.912 5.378 ( 20.018 0.000 15.154) 25.107 5.437 ( -1.354 -0.000 5.123) 5.299 5.679 ( 6.392 0.000 -3.259) 7.175 5.926 ( -5.984 -0.000 -4.167) 7.292 5.951 ( -13.427 -0.000 -3.291) 13.825 5.983 ( -7.200 -0.000 0.735) 7.238 6.290 ( 0.411 0.000 -1.557) 1.610 6.595 ( -1.062 -0.000 0.610) 1.225 6.661 ( -0.321 -0.000 0.243) 0.403 7.647 ( -1.102 -0.000 1.794) 2.105 8.150 ( 12.889 0.000 17.056) 21.378 8.300 ( -1.165 -0.000 -3.315) 3.514 8.322 ( 4.508 0.000 1.425) 4.728 9.005 ( -3.856 -0.000 1.939) 4.316 9.068 ( 0.294 0.000 -3.843) 3.854 9.079 ( -1.809 -0.000 -1.555) 2.385 9.218 ( -3.485 -0.000 -1.200) 3.686 9.449 ( -6.252 -0.000 4.129) 7.492 9.724 ( 0.277 0.000 -3.962) 3.972 9.729 ( -0.575 -0.000 -5.998) 6.025 9.858 ( -7.643 -0.000 -8.825) 11.674 10.027 ( 6.338 0.000 7.675) 9.954 10.316 ( 4.167 0.000 0.955) 4.275 10.498 ( -4.057 -0.000 6.741) 7.868 11.112 ( 9.667 0.000 2.382) 9.956 11.222 ( 0.889 0.000 -1.183) 1.480 11.279 ( -6.102 -0.000 2.809) 6.717 11.373 ( 1.618 0.000 2.283) 2.798 11.607 ( 3.835 0.000 -3.985) 5.530 11.632 ( 1.348 0.000 2.273) 2.643 11.958 ( -2.312 -0.000 -6.745) 7.130 12.197 ( -17.364 -0.000 -13.088) 21.744 12.457 ( -2.348 -0.000 -3.655) 4.344 12.464 ( 14.072 0.000 26.299) 29.827 12.507 ( 1.005 0.000 -1.108) 1.496 12.941 ( 1.559 0.000 0.162) 1.568 12.961 ( 4.795 0.000 -10.703) 11.728 13.314 ( -8.160 -0.000 2.112) 8.429 13.478 ( -0.611 -0.000 -1.195) 1.342 13.682 ( 2.585 0.000 -2.836) 3.838 13.712 ( 2.370 0.000 1.322) 2.714 14.550 ( -14.807 -0.000 -20.914) 25.625 14.557 ( 3.035 0.000 -1.992) 3.630 14.661 ( -19.258 -0.000 -30.476) 36.051 14.823 ( -3.939 -0.000 3.753) 5.441 15.091 ( -1.305 -0.000 -0.766) 1.513 15.189 ( -2.177 -0.000 -3.015) 3.719 15.561 ( -5.790 -0.000 -8.131) 9.982 16.226 ( 8.166 0.000 7.697) 11.222 16.650 ( -5.219 -0.000 -1.002) 5.314 16.736 ( -1.537 -0.000 -1.564) 2.192 16.967 ( 0.090 0.000 0.505) 0.513 17.090 ( 2.302 0.000 -4.198) 4.788 17.181 ( -2.186 -0.000 -1.323) 2.555 17.337 ( -3.670 -0.000 6.005) 7.038 19.701 ( 1.382 0.000 0.446) 1.452 20.124 ( 5.857 0.000 2.596) 6.407 20.885 ( -0.376 -0.000 0.920) 0.994 21.086 ( 3.337 0.000 2.088) 3.936 22.180 ( -1.527 -0.000 0.003) 1.527 22.290 ( 0.869 0.000 -2.754) 2.888 23.220 ( -1.210 -0.000 2.735) 2.991 23.511 ( 1.430 0.000 -1.814) 2.310 26.959 ( -0.130 -0.000 0.005) 0.130 26.974 ( 0.043 0.000 -0.008) 0.043 29.319 ( -0.036 -0.000 2.352) 2.352 29.448 ( -2.149 -0.000 1.094) 2.412 30.651 ( -52.767 -0.000 -79.780) 95.652 30.768 ( 0.433 0.000 4.716) 4.736 30.903 ( 0.284 0.000 4.013) 4.023 30.915 ( 1.757 0.000 -0.632) 1.867 31.529 ( -1.511 -0.000 5.299) 5.510 31.670 ( 3.722 0.000 -2.104) 4.275 31.907 ( -3.023 -0.000 -0.674) 3.097 32.064 ( -0.036 -0.000 1.788) 1.788 32.496 ( -2.811 -0.000 2.057) 3.484 32.688 ( -2.490 -0.000 0.386) 2.519 33.595 ( 0.721 0.000 0.932) 1.179 34.084 ( 1.550 0.000 -4.728) 4.976 35.333 ( -1.584 -0.000 1.570) 2.230 35.477 ( 0.980 0.000 -1.165) 1.522 35.555 ( -1.240 -0.000 3.462) 3.678 36.082 ( 2.844 0.000 -3.312) 4.366 36.192 ( 1.504 0.000 1.284) 1.978 36.485 ( 3.294 0.000 2.462) 4.113 38.361 ( 1.111 0.000 -9.698) 9.762 38.666 ( 23.409 0.000 37.661) 44.343 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 6.359 0.000 24.115) 24.939 1.252 ( 3.797 0.000 26.987) 27.253 1.869 ( -3.006 -0.000 -5.334) 6.123 2.058 ( 2.739 0.000 26.483) 26.624 2.168 ( 1.491 0.000 -13.469) 13.551 2.894 ( 7.096 0.000 -1.880) 7.340 3.023 ( 1.426 0.000 -1.040) 1.764 3.034 ( -3.221 -0.000 4.236) 5.322 3.557 ( -2.698 -0.000 -3.794) 4.656 3.591 ( 3.203 0.000 0.170) 3.208 3.624 ( 9.198 0.000 2.715) 9.590 3.675 ( 2.169 0.000 -1.291) 2.524 3.816 ( 1.682 0.000 -4.471) 4.778 3.847 ( -5.100 -0.000 -11.070) 12.188 4.181 ( 1.670 0.000 3.222) 3.629 4.402 ( -6.992 -0.000 -5.309) 8.780 4.813 ( -3.207 -0.000 7.388) 8.054 4.818 ( 3.212 0.000 1.859) 3.712 4.941 ( 6.478 0.000 5.124) 8.259 5.046 ( 6.424 0.000 1.661) 6.636 5.143 ( -9.170 -0.000 -1.723) 9.331 5.168 ( 0.169 0.000 -2.679) 2.684 5.333 ( -7.227 -0.000 -6.268) 9.566 5.473 ( -16.401 -0.000 -10.481) 19.464 5.741 ( 7.949 0.000 -0.198) 7.952 5.842 ( 0.428 0.000 -2.684) 2.718 6.186 ( 0.375 0.000 7.633) 7.642 6.262 ( 3.379 0.000 -1.514) 3.703 6.524 ( 1.207 0.000 -2.904) 3.145 6.547 ( -5.286 -0.000 -1.098) 5.399 7.960 ( 2.381 0.000 1.542) 2.837 8.010 ( -10.183 -0.000 -6.751) 12.218 8.346 ( 2.038 0.000 4.469) 4.912 8.544 ( -0.329 -0.000 0.493) 0.593 8.941 ( -1.728 -0.000 -0.412) 1.776 8.962 ( 4.723 0.000 1.102) 4.850 9.115 ( 2.163 0.000 1.604) 2.692 9.207 ( 5.804 0.000 5.266) 7.837 9.430 ( -4.475 -0.000 -4.189) 6.130 9.451 ( -0.816 -0.000 -7.432) 7.477 9.674 ( -1.724 -0.000 9.366) 9.523 9.972 ( 6.016 0.000 -0.903) 6.083 10.339 ( -5.637 -0.000 0.948) 5.716 10.379 ( -0.333 -0.000 -0.204) 0.390 10.705 ( -3.031 -0.000 3.643) 4.739 10.759 ( 6.242 0.000 -5.809) 8.527 11.027 ( -6.549 -0.000 -0.168) 6.551 11.290 ( -3.067 -0.000 2.978) 4.275 11.352 ( -6.029 -0.000 -8.565) 10.474 11.436 ( 6.324 0.000 -4.439) 7.726 11.741 ( 5.072 0.000 6.898) 8.562 11.780 ( -1.882 -0.000 4.465) 4.845 12.275 ( 3.999 0.000 6.436) 7.577 12.491 ( 4.456 0.000 -2.356) 5.040 12.579 ( 7.676 0.000 2.901) 8.206 12.732 ( -12.853 -0.000 -2.866) 13.169 12.878 ( 3.584 0.000 -2.984) 4.664 12.911 ( -0.409 -0.000 -2.258) 2.295 13.382 ( 0.475 0.000 -2.336) 2.384 13.475 ( -6.303 -0.000 -1.766) 6.546 13.562 ( -1.291 -0.000 -1.828) 2.238 13.567 ( 1.488 0.000 -1.314) 1.985 14.538 ( 1.580 0.000 -1.029) 1.885 14.567 ( -0.055 -0.000 -1.689) 1.690 14.810 ( 22.483 0.000 7.414) 23.674 14.876 ( -3.911 -0.000 3.673) 5.366 15.077 ( 5.425 0.000 -3.802) 6.624 15.104 ( -4.090 -0.000 -2.461) 4.773 15.940 ( 16.126 0.000 8.223) 18.101 16.180 ( -13.829 -0.000 -2.591) 14.070 16.603 ( -0.462 -0.000 -1.661) 1.724 16.614 ( -0.190 -0.000 -3.645) 3.650 16.976 ( -0.551 -0.000 0.828) 0.995 16.989 ( 2.000 0.000 -1.752) 2.659 17.274 ( 5.712 0.000 3.401) 6.648 17.362 ( -7.210 -0.000 0.423) 7.223 19.931 ( 5.747 0.000 7.226) 9.233 20.134 ( -4.809 -0.000 -1.863) 5.157 20.955 ( -0.140 -0.000 3.029) 3.032 21.065 ( -0.390 -0.000 -1.350) 1.405 22.009 ( -8.552 -0.000 3.765) 9.344 22.211 ( 4.674 0.000 -4.387) 6.411 23.265 ( -3.065 -0.000 3.190) 4.423 23.435 ( 1.824 0.000 -3.900) 4.305 26.963 ( 0.040 0.000 0.211) 0.215 26.970 ( -0.065 -0.000 -0.113) 0.131 29.436 ( 1.681 0.000 1.294) 2.121 29.450 ( -1.815 -0.000 0.673) 1.936 30.781 ( -0.689 -0.000 -0.537) 0.874 30.830 ( 1.245 0.000 -2.920) 3.175 31.040 ( -17.587 -0.000 8.027) 19.332 31.259 ( 53.110 0.000 1.060) 53.121 31.508 ( -9.818 -0.000 0.018) 9.818 31.535 ( -2.204 -0.000 -4.213) 4.755 32.033 ( 3.053 0.000 5.590) 6.369 32.161 ( 2.495 0.000 0.926) 2.662 32.679 ( -2.332 -0.000 0.928) 2.510 32.767 ( 20.653 0.000 -2.331) 20.784 33.605 ( -2.462 -0.000 1.756) 3.024 33.865 ( 2.459 0.000 -9.263) 9.584 35.373 ( -2.220 -0.000 2.575) 3.400 35.472 ( 2.418 0.000 -1.153) 2.678 35.645 ( -2.009 -0.000 4.219) 4.673 35.919 ( 1.474 0.000 -7.246) 7.395 36.341 ( 1.914 0.000 6.143) 6.434 36.534 ( -3.356 -0.000 -0.940) 3.486 38.142 ( -46.948 -0.000 0.708) 46.953 38.265 ( 21.201 0.000 -5.085) 21.802 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 14.468 -20.164 18.384) 30.885 1.564 ( 2.160 -18.152 22.421) 28.928 1.909 ( -3.127 -10.935 -14.260) 18.240 2.176 ( 10.064 -5.696 2.675) 11.870 2.348 ( 11.317 -9.481 7.990) 16.786 2.843 ( 2.052 5.002 -9.941) 11.316 2.931 ( -3.000 5.783 1.326) 6.648 3.004 ( 3.702 5.798 3.374) 7.662 3.445 ( -2.043 5.078 -2.372) 5.965 3.531 ( 0.970 6.258 -3.233) 7.110 3.641 ( 2.095 4.126 1.460) 4.853 3.695 ( 2.263 1.076 4.773) 5.391 3.760 ( -7.101 -0.183 -11.042) 13.129 3.877 ( 0.812 -7.183 -4.012) 8.268 4.203 ( 0.772 1.457 5.105) 5.365 4.308 ( -9.161 -0.253 -7.237) 11.677 4.830 ( -5.443 -1.470 6.219) 8.394 4.873 ( -0.914 0.454 0.143) 1.030 4.946 ( -9.019 3.354 5.659) 11.163 5.095 ( 6.408 3.299 3.237) 7.901 5.166 ( -1.572 -5.041 -3.572) 6.375 5.216 ( 8.023 -1.829 1.129) 8.306 5.322 ( -14.184 -5.623 -7.163) 16.855 5.365 ( 8.260 -10.669 -0.954) 13.526 5.785 ( 0.614 2.650 -2.822) 3.919 5.788 ( 3.607 1.854 -1.286) 4.255 6.206 ( -1.837 0.002 3.549) 3.996 6.302 ( 4.317 -1.005 -0.608) 4.474 6.450 ( -6.616 4.338 -2.168) 8.203 6.490 ( 3.177 4.817 -0.287) 5.777 7.870 ( -4.289 2.838 0.612) 5.180 7.972 ( -1.540 0.184 -3.385) 3.723 8.386 ( 7.133 2.900 8.302) 11.323 8.491 ( -4.776 3.071 -3.976) 6.932 8.922 ( -4.343 -0.815 0.375) 4.435 9.088 ( 9.977 -6.187 -2.221) 11.947 9.144 ( 1.390 0.891 4.156) 4.472 9.267 ( 3.141 1.089 2.591) 4.215 9.365 ( -2.051 0.496 -3.108) 3.756 9.421 ( 0.654 -1.416 -5.763) 5.971 9.754 ( 0.453 -3.043 8.383) 8.929 10.006 ( 1.810 -1.949 -4.725) 5.422 10.235 ( -2.284 7.192 3.476) 8.308 10.334 ( 0.076 5.174 -0.311) 5.184 10.633 ( -5.405 4.330 -0.063) 6.926 10.770 ( 8.429 3.774 -2.345) 9.528 11.057 ( -6.587 -5.000 5.054) 9.692 11.292 ( -0.936 -0.766 2.073) 2.400 11.326 ( -1.416 -6.214 -5.695) 8.547 11.444 ( 7.585 1.633 -4.076) 8.764 11.720 ( 1.942 5.539 4.575) 7.442 11.808 ( 6.014 5.075 2.181) 8.166 12.250 ( -3.498 4.595 5.806) 8.188 12.463 ( -0.146 2.441 -4.521) 5.140 12.555 ( -2.606 5.166 1.353) 5.942 12.625 ( 0.380 3.425 -1.294) 3.681 12.845 ( -0.543 3.390 -2.082) 4.015 12.879 ( 2.116 2.697 -1.915) 3.927 13.397 ( 0.238 -2.126 3.750) 4.317 13.480 ( -6.000 -5.198 -4.277) 9.017 13.537 ( 0.884 -0.056 0.626) 1.084 13.590 ( 2.488 -0.317 -2.099) 3.271 14.511 ( 3.328 0.382 2.584) 4.231 14.572 ( 0.372 -0.895 -1.660) 1.922 14.899 ( -1.492 -5.105 6.229) 8.191 15.056 ( -3.432 -7.596 -1.770) 8.521 15.161 ( -6.304 -9.499 -8.668) 14.322 15.255 ( 5.051 -15.899 -4.371) 17.245 16.062 ( 2.924 1.920 3.876) 5.221 16.105 ( 2.190 -0.728 0.893) 2.475 16.541 ( -2.136 4.758 -2.678) 5.862 16.602 ( 0.595 -1.576 -4.913) 5.194 17.005 ( 1.047 -3.998 1.585) 4.427 17.058 ( -0.239 -4.968 -2.621) 5.622 17.340 ( -3.328 -3.425 0.542) 4.806 17.380 ( 4.692 -3.728 2.428) 6.466 20.021 ( 4.536 -0.823 6.132) 7.672 20.090 ( -3.314 -1.262 -2.884) 4.571 20.888 ( -1.005 8.383 3.130) 9.004 20.994 ( 0.413 6.595 -1.944) 6.889 22.042 ( -6.087 -7.281 5.068) 10.758 22.301 ( 5.090 -7.796 -4.235) 10.228 23.199 ( -3.195 6.289 4.233) 8.227 23.394 ( 2.583 3.997 -4.200) 6.347 27.076 ( 0.252 -12.422 1.857) 12.562 27.169 ( -2.002 -19.788 -5.330) 20.591 29.323 ( -2.132 12.892 0.317) 13.071 29.363 ( 4.741 10.744 1.437) 11.831 30.778 ( -0.728 -1.330 0.500) 1.597 30.835 ( -2.665 -2.868 -3.677) 5.371 30.985 ( -22.254 -7.936 3.658) 23.908 31.449 ( 5.200 -0.169 3.392) 6.211 31.490 ( -0.976 -3.372 -6.583) 7.460 31.654 ( 17.900 0.530 -0.986) 17.935 32.010 ( 0.777 9.296 1.028) 9.385 32.128 ( 15.421 2.410 -1.558) 15.686 32.786 ( 0.403 -10.767 0.807) 10.805 32.988 ( 23.369 -5.176 -7.177) 24.988 33.574 ( -3.181 2.261 2.537) 4.655 33.802 ( 2.495 3.408 -8.509) 9.499 35.389 ( -1.946 -2.052 2.329) 3.663 35.481 ( 1.484 -0.019 -0.854) 1.712 35.674 ( -2.052 -1.871 5.246) 5.936 35.932 ( 2.050 -3.891 -6.950) 8.225 36.395 ( 0.011 -0.591 5.804) 5.834 36.494 ( -4.069 -0.361 -1.522) 4.360 37.693 ( -42.790 10.177 9.994) 45.105 38.338 ( 21.514 8.530 -2.493) 23.278 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.925 -8.527 -4.042) 9.631 1.983 ( 4.261 -15.129 14.899) 21.657 2.147 ( -1.014 -22.278 6.575) 23.250 2.416 ( 8.001 -0.945 9.595) 12.529 2.697 ( 2.939 4.067 -10.023) 11.209 2.701 ( 10.425 -21.737 -15.570) 28.699 2.876 ( -3.178 -3.858 -2.475) 5.578 2.994 ( 5.003 -2.377 4.669) 7.244 3.341 ( 0.059 5.292 -1.434) 5.484 3.450 ( 5.696 1.996 0.297) 6.043 3.538 ( 1.328 9.624 -3.239) 10.241 3.605 ( -1.066 3.105 -9.889) 10.419 3.703 ( -2.490 1.760 5.349) 6.157 3.992 ( -1.985 -4.463 -1.032) 4.993 4.164 ( -3.926 3.188 2.728) 5.746 4.239 ( 0.779 0.651 1.175) 1.553 4.745 ( -11.273 5.208 1.295) 12.485 4.776 ( -4.372 3.598 0.259) 5.668 4.958 ( -0.630 -1.478 6.409) 6.607 5.033 ( -1.848 3.357 -0.940) 3.946 5.148 ( -4.931 -0.590 -3.749) 6.222 5.305 ( 10.173 0.007 1.659) 10.307 5.428 ( -3.782 -8.422 -1.563) 9.364 5.674 ( 4.167 -5.533 2.543) 7.379 5.710 ( 3.689 -3.002 -2.215) 5.246 5.795 ( 4.862 0.530 0.801) 4.956 6.202 ( -5.125 -0.440 -0.294) 5.153 6.273 ( -5.610 4.332 -1.772) 7.306 6.355 ( 1.743 1.043 -0.201) 2.041 6.414 ( 3.790 4.718 1.113) 6.153 7.859 ( 0.542 -0.118 3.724) 3.765 7.911 ( -1.990 2.407 -4.005) 5.079 8.328 ( -8.097 4.515 -6.774) 11.482 8.451 ( 8.048 1.724 8.182) 11.606 8.911 ( -5.457 -0.729 0.576) 5.535 9.134 ( -1.929 -1.105 -2.277) 3.182 9.186 ( -2.029 1.799 0.139) 2.715 9.296 ( 11.965 -0.951 0.681) 12.022 9.399 ( 2.674 -2.870 1.020) 4.053 9.450 ( 3.563 -2.236 -1.506) 4.468 9.835 ( -2.044 -1.873 1.644) 3.223 9.998 ( -3.420 -0.291 -5.339) 6.347 10.118 ( 3.752 8.817 4.307) 10.505 10.221 ( 3.098 6.372 1.641) 7.273 10.531 ( -4.397 2.695 1.143) 5.282 10.723 ( 5.908 5.776 -1.886) 8.475 11.079 ( -5.824 0.283 5.491) 8.009 11.347 ( -2.767 -5.560 1.411) 6.369 11.447 ( 5.909 -1.921 -6.264) 8.823 11.495 ( 4.615 -7.010 2.144) 8.662 11.667 ( 4.719 4.303 1.821) 6.641 11.696 ( 5.501 11.259 -0.783) 12.556 12.234 ( -4.098 -2.905 3.180) 5.946 12.343 ( -3.916 4.174 -6.468) 8.636 12.468 ( -2.812 0.645 1.623) 3.310 12.564 ( 1.438 4.499 0.340) 4.735 12.718 ( -4.596 6.912 -2.585) 8.694 12.849 ( 3.899 2.957 -0.060) 4.894 13.422 ( -2.023 1.060 4.216) 4.795 13.481 ( -5.309 -0.758 -2.434) 5.890 13.604 ( -0.239 -3.872 -4.288) 5.782 13.646 ( 9.256 -5.193 3.835) 11.284 14.553 ( -6.059 -2.436 -5.741) 8.695 14.597 ( 3.794 -0.792 3.199) 5.026 14.985 ( -5.790 -4.503 1.448) 7.476 15.148 ( 1.697 -5.404 0.098) 5.665 15.291 ( -5.173 -12.257 -0.354) 13.308 15.468 ( -1.336 -9.670 -4.662) 10.818 16.069 ( 3.251 2.827 5.439) 6.938 16.179 ( 3.948 -5.386 -2.793) 7.239 16.441 ( -1.729 2.666 3.598) 4.801 16.571 ( -2.833 0.816 -7.950) 8.479 17.084 ( -2.599 -4.452 -2.148) 5.585 17.126 ( 0.977 -3.865 0.411) 4.007 17.411 ( -0.824 -4.998 0.008) 5.066 17.484 ( 2.963 -2.250 1.450) 3.993 20.086 ( 1.209 -1.171 3.060) 3.493 20.115 ( -0.578 -5.180 -4.192) 6.689 20.710 ( -1.869 11.377 3.015) 11.917 20.832 ( 1.938 10.215 -2.802) 10.769 22.217 ( -3.557 -12.434 5.542) 14.070 22.489 ( 4.833 -11.100 -4.457) 12.901 23.066 ( -3.780 8.182 5.370) 10.492 23.293 ( 3.523 7.163 -3.785) 8.835 27.405 ( 0.305 -20.971 5.340) 21.642 27.493 ( -4.091 -22.521 -8.160) 24.300 28.983 ( -4.598 20.848 -0.908) 21.369 29.175 ( 9.183 16.543 1.384) 18.971 30.825 ( -2.492 -4.513 1.352) 5.330 30.879 ( -2.818 -7.621 -3.894) 9.010 31.011 ( -16.858 -9.627 0.966) 19.437 31.498 ( -5.324 -3.603 -5.744) 8.621 31.542 ( 0.667 -4.297 5.238) 6.808 31.646 ( 8.160 8.226 0.173) 11.588 31.801 ( -0.090 12.243 -0.767) 12.268 32.286 ( 24.403 -1.894 -7.517) 25.604 33.010 ( 1.277 -12.030 0.039) 12.098 33.166 ( 14.681 -2.245 -6.345) 16.151 33.509 ( -3.596 3.521 2.749) 5.735 33.696 ( 2.599 5.657 -6.271) 8.836 35.430 ( -1.767 -2.358 1.720) 3.412 35.494 ( 0.574 -1.134 -0.427) 1.341 35.735 ( -2.823 -2.993 7.065) 8.175 35.978 ( 2.274 -2.522 -5.382) 6.364 36.390 ( -5.438 1.166 3.255) 6.444 36.505 ( -1.460 -2.771 1.199) 3.354 37.339 ( -28.360 3.847 10.759) 30.575 38.261 ( 18.635 15.292 -3.068) 24.301 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -4.140 -1.893 -9.720) 10.733 2.247 ( 3.206 2.548 1.364) 4.317 2.335 ( 0.410 0.931 6.815) 6.890 2.549 ( -13.737 -16.327 -2.494) 21.482 2.590 ( 6.183 3.940 4.910) 8.824 2.906 ( -4.529 -6.456 -13.933) 16.010 2.997 ( 0.479 -8.802 -5.235) 10.252 3.168 ( 2.254 -1.202 -3.637) 4.444 3.326 ( 7.098 4.727 -3.801) 9.337 3.430 ( 8.595 -11.023 8.039) 16.124 3.509 ( 3.854 5.367 -3.684) 7.565 3.595 ( 9.695 -3.363 0.788) 10.292 3.693 ( 3.858 -1.684 0.769) 4.280 3.905 ( -10.115 2.766 2.107) 10.696 4.190 ( 5.884 -1.165 -3.200) 6.798 4.281 ( 0.361 -1.598 8.223) 8.384 4.601 ( -11.066 2.859 5.144) 12.533 4.713 ( 1.202 0.543 -2.224) 2.585 4.885 ( -0.193 6.437 -4.403) 7.802 5.030 ( -1.073 0.460 2.520) 2.778 5.121 ( -1.436 -1.989 -2.950) 3.837 5.384 ( 8.204 1.843 3.852) 9.249 5.421 ( -5.317 1.185 -2.340) 5.928 5.652 ( -4.395 -0.045 0.313) 4.406 5.808 ( 4.869 0.255 -1.551) 5.116 5.898 ( -1.109 -1.739 6.876) 7.178 6.080 ( -5.564 2.608 -2.753) 6.733 6.258 ( 0.093 2.229 -0.539) 2.295 6.334 ( 1.303 -3.605 4.472) 5.890 6.459 ( 4.810 -3.008 -1.257) 5.811 7.796 ( -3.824 4.160 -2.757) 6.287 7.878 ( -2.154 -0.009 0.465) 2.204 8.186 ( -6.331 1.552 -5.177) 8.324 8.538 ( 7.965 0.638 4.536) 9.188 8.878 ( -0.708 -0.371 0.005) 0.799 9.068 ( -4.294 1.843 -1.166) 4.816 9.214 ( 1.944 -1.030 2.838) 3.591 9.383 ( 8.036 -0.237 1.298) 8.143 9.441 ( -0.811 0.713 1.543) 1.884 9.510 ( 2.922 -0.082 -1.400) 3.241 9.805 ( 0.452 1.227 -1.327) 1.863 9.925 ( -7.309 1.214 -0.799) 7.452 10.042 ( 5.642 4.003 -1.487) 7.075 10.218 ( 0.053 -2.169 1.180) 2.469 10.466 ( -0.568 4.512 3.420) 5.691 10.658 ( 3.973 3.896 -3.601) 6.628 11.054 ( -4.424 1.036 5.473) 7.113 11.424 ( -2.975 -1.551 1.485) 3.669 11.451 ( 4.564 1.300 -1.335) 4.930 11.515 ( 1.273 5.182 -6.092) 8.099 11.590 ( 3.898 3.711 1.876) 5.700 11.770 ( 6.183 -8.096 0.721) 10.212 12.191 ( -5.072 -0.758 -4.215) 6.638 12.380 ( 3.569 -3.140 4.193) 6.339 12.469 ( -5.319 1.851 -0.157) 5.634 12.498 ( -1.510 0.333 -1.421) 2.100 12.564 ( -1.596 0.083 0.106) 1.602 12.801 ( 5.395 7.810 1.295) 9.580 13.391 ( -2.764 2.151 3.204) 4.747 13.455 ( -1.325 -1.469 -1.663) 2.584 13.669 ( -3.260 -7.498 -4.584) 9.373 13.815 ( 6.961 -1.749 3.301) 7.900 14.433 ( -8.153 3.652 -8.754) 12.508 14.622 ( 0.416 1.093 2.936) 3.160 15.072 ( -2.197 -8.146 0.939) 8.489 15.294 ( 0.399 -6.407 3.676) 7.398 15.398 ( -0.352 -2.127 0.185) 2.164 15.554 ( 1.369 -2.479 -0.383) 2.858 16.101 ( 0.670 -1.353 5.379) 5.587 16.239 ( -0.862 -1.638 -5.889) 6.173 16.411 ( -4.283 5.452 -0.831) 6.982 16.563 ( 4.712 -8.098 0.205) 9.371 17.108 ( -2.787 -2.598 -3.536) 5.198 17.209 ( 1.268 -3.271 2.206) 4.144 17.463 ( -1.408 -1.054 -1.518) 2.323 17.521 ( 1.233 -0.069 2.537) 2.822 20.123 ( -1.344 -2.548 -0.673) 2.959 20.194 ( 1.362 -4.437 -3.708) 5.940 20.519 ( -2.330 8.302 1.870) 8.823 20.658 ( 3.317 9.421 -1.956) 10.178 22.463 ( -1.921 -13.265 5.175) 14.368 22.698 ( 3.923 -10.396 -4.708) 12.067 22.922 ( -3.946 7.325 5.640) 10.051 23.154 ( 3.333 9.217 -2.939) 10.233 27.808 ( -4.210 -21.574 -5.951) 22.772 27.848 ( -0.428 -23.133 6.421) 24.012 28.541 ( -4.769 22.917 -0.873) 23.424 28.949 ( 12.701 18.306 -0.418) 22.284 30.911 ( -4.570 -6.904 1.758) 8.464 31.008 ( -2.181 -9.902 -2.893) 10.544 31.060 ( -7.640 -6.046 0.730) 9.770 31.452 ( -2.441 3.960 -0.317) 4.662 31.547 ( 1.278 2.996 -8.479) 9.083 31.592 ( 0.299 8.728 -0.991) 8.789 31.663 ( -2.754 -3.884 7.999) 9.309 32.419 ( 22.311 2.617 -10.117) 24.637 33.184 ( 0.581 -5.846 -3.601) 6.891 33.240 ( 4.527 0.190 1.352) 4.729 33.452 ( -2.488 -1.086 -0.569) 2.774 33.583 ( 2.369 6.300 -2.069) 7.041 35.454 ( -2.006 -1.067 1.248) 2.593 35.521 ( 0.296 -1.260 -0.315) 1.332 35.804 ( -3.665 -2.373 8.021) 9.132 35.988 ( 1.422 0.373 -2.285) 2.717 36.340 ( -6.670 0.899 4.274) 7.973 36.545 ( -2.279 -1.607 3.063) 4.142 37.254 ( -13.027 -7.140 3.579) 15.280 38.075 ( 14.039 16.105 -4.654) 21.866 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -9.637 9.312 -3.420) 13.830 2.120 ( -0.080 12.093 3.521) 12.596 2.255 ( -1.276 6.708 -8.940) 11.249 2.520 ( 3.077 0.245 8.276) 8.833 2.765 ( -7.133 -1.150 -0.864) 7.277 2.916 ( 2.183 -0.774 -5.665) 6.120 3.008 ( -1.170 -2.832 -3.571) 4.705 3.160 ( 4.228 -1.802 -9.409) 10.471 3.325 ( 1.595 5.280 0.216) 5.520 3.445 ( 0.527 -0.104 4.923) 4.953 3.629 ( 5.263 -3.700 -2.755) 6.998 3.686 ( -2.427 1.769 4.432) 5.354 3.793 ( 5.469 -3.372 4.854) 8.052 3.941 ( 0.735 -5.276 -5.018) 7.318 4.196 ( 2.116 1.395 -3.107) 4.010 4.316 ( -6.213 0.426 6.717) 9.160 4.587 ( -2.937 -4.257 6.059) 7.967 4.718 ( -1.159 -0.094 -8.033) 8.116 4.756 ( 6.319 3.251 -0.729) 7.144 5.053 ( 1.570 -2.707 -3.206) 4.479 5.149 ( 4.602 -1.760 1.039) 5.036 5.331 ( -10.288 -2.716 -1.371) 10.729 5.458 ( 9.706 0.245 0.942) 9.754 5.613 ( -5.673 0.014 -0.386) 5.687 5.783 ( 0.834 3.603 0.273) 3.708 5.896 ( -5.446 0.994 5.120) 7.541 6.028 ( -1.425 1.559 2.095) 2.975 6.254 ( 2.708 0.111 2.695) 3.822 6.425 ( 1.250 -1.860 0.435) 2.283 6.559 ( 4.503 -4.694 -2.690) 7.039 7.717 ( -1.536 1.096 0.490) 1.949 7.862 ( -1.508 -0.585 0.422) 1.672 8.090 ( -6.874 0.103 -5.105) 8.563 8.529 ( 4.027 5.238 -3.319) 7.394 8.972 ( 7.178 -2.895 6.980) 10.423 9.033 ( -2.758 -1.160 -0.354) 3.013 9.235 ( 2.882 2.890 4.463) 6.048 9.379 ( -2.751 3.455 0.680) 4.469 9.434 ( 1.303 -1.293 -1.947) 2.676 9.507 ( -1.404 -1.953 -1.344) 2.755 9.786 ( 2.299 6.924 1.582) 7.465 9.896 ( 0.087 -3.812 2.769) 4.712 10.044 ( -1.454 -4.291 -6.671) 8.064 10.270 ( -1.044 -1.800 2.913) 3.580 10.416 ( 0.095 0.934 1.922) 2.139 10.575 ( -0.330 4.218 -6.398) 7.670 11.044 ( -4.254 -0.256 5.842) 7.231 11.346 ( 4.192 5.193 -1.940) 6.951 11.434 ( 0.488 3.166 1.906) 3.728 11.516 ( -3.271 -3.603 1.130) 4.995 11.567 ( 2.862 2.308 -1.022) 3.816 11.911 ( -0.204 -4.193 -2.190) 4.735 12.223 ( -1.273 -6.763 -1.333) 7.010 12.272 ( -3.389 7.126 -2.381) 8.242 12.429 ( 2.839 0.102 -0.597) 2.903 12.604 ( 0.502 -2.052 1.012) 2.342 12.667 ( 4.556 6.075 2.243) 7.918 12.688 ( 1.266 -7.791 1.882) 8.115 13.356 ( -3.073 1.511 3.245) 4.718 13.487 ( 2.864 -1.923 -1.444) 3.740 13.759 ( -7.214 -6.457 -5.249) 11.013 13.799 ( 0.385 3.154 -0.199) 3.183 14.275 ( -3.151 5.460 -2.041) 6.626 14.624 ( 1.359 0.620 0.898) 1.742 15.219 ( -0.335 -5.698 3.504) 6.698 15.270 ( -2.556 2.844 -2.746) 4.708 15.490 ( 2.316 -2.775 -0.293) 3.626 15.628 ( 3.815 -3.980 4.434) 7.075 16.070 ( -3.399 8.803 -2.297) 9.712 16.223 ( -2.461 -6.146 -2.049) 6.930 16.299 ( -2.657 5.886 4.340) 7.781 16.784 ( 8.827 -9.481 -3.102) 13.321 17.097 ( -1.178 -0.192 -3.548) 3.743 17.274 ( 1.460 -0.858 2.802) 3.274 17.413 ( -2.944 2.321 -2.310) 4.403 17.544 ( 0.749 0.908 3.316) 3.518 20.141 ( 0.953 1.574 -2.237) 2.897 20.169 ( 1.285 5.724 -0.108) 5.868 20.490 ( -0.900 -6.808 -2.987) 7.489 20.550 ( 1.993 3.679 0.914) 4.282 22.656 ( -2.639 -0.427 3.578) 4.467 22.744 ( -1.583 -0.416 2.301) 2.824 22.942 ( 2.032 -5.760 -3.657) 7.119 23.005 ( 1.968 4.109 -0.058) 4.556 28.039 ( -1.298 18.470 0.583) 18.524 28.133 ( -3.606 -20.306 -4.706) 21.154 28.339 ( -2.888 -18.216 6.093) 19.424 28.720 ( 15.018 17.735 -3.916) 23.567 30.973 ( -5.331 -1.022 1.463) 5.622 31.085 ( -2.998 -4.252 0.900) 5.280 31.170 ( 1.039 -6.063 -2.938) 6.817 31.310 ( 2.103 10.262 0.228) 10.478 31.465 ( -1.188 3.146 -1.262) 3.592 31.505 ( -3.928 -5.228 -9.039) 11.157 31.746 ( -4.154 -1.766 10.944) 11.838 32.402 ( 15.809 8.920 -11.938) 21.726 33.150 ( -2.319 7.182 1.633) 7.722 33.259 ( 1.625 -0.238 0.279) 1.666 33.488 ( -0.774 3.442 0.108) 3.530 33.548 ( 1.670 -8.321 -2.905) 8.971 35.455 ( -1.752 0.122 1.347) 2.213 35.529 ( 0.030 0.446 -0.186) 0.485 35.833 ( -5.244 0.681 7.514) 9.188 35.976 ( 1.032 0.768 0.255) 1.312 36.326 ( -2.512 -0.689 5.067) 5.698 36.557 ( -2.712 -0.040 2.422) 3.636 37.391 ( -4.368 -13.716 -0.971) 14.427 37.893 ( 8.196 9.870 -4.637) 13.642 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -8.543 13.119 6.848) 17.087 1.863 ( -6.809 16.589 12.792) 22.027 2.196 ( 9.031 -0.737 -0.622) 9.083 2.590 ( 6.154 3.810 9.551) 11.984 2.646 ( 4.820 7.907 0.138) 9.261 2.812 ( -1.993 5.983 -5.642) 8.462 2.997 ( -7.526 23.607 0.543) 24.783 3.042 ( -2.910 -0.429 -4.345) 5.247 3.255 ( 0.866 -4.296 -7.502) 8.689 3.502 ( -3.202 0.072 3.679) 4.878 3.594 ( -1.458 0.018 -4.228) 4.472 3.686 ( 0.835 -1.885 -2.784) 3.464 3.838 ( -4.126 4.458 0.043) 6.075 3.949 ( 2.922 -2.962 -3.441) 5.399 4.173 ( -5.602 -1.424 -0.023) 5.780 4.371 ( 6.956 -4.207 4.553) 9.318 4.630 ( -3.448 -4.251 -3.078) 6.279 4.782 ( 4.633 -1.725 4.250) 6.519 4.797 ( 6.932 -3.629 -4.358) 8.957 5.089 ( 1.831 -3.793 -3.944) 5.770 5.266 ( 7.944 -1.760 4.183) 9.149 5.305 ( -12.322 -4.506 -8.513) 15.640 5.514 ( -1.958 -0.779 -2.157) 3.016 5.625 ( 1.329 -5.451 2.009) 5.960 5.714 ( 1.269 5.877 1.781) 6.271 5.872 ( -0.393 2.238 8.093) 8.406 6.005 ( -3.326 1.447 3.749) 5.216 6.278 ( 3.468 0.168 -2.500) 4.279 6.440 ( -2.273 -0.909 -0.040) 2.448 6.620 ( 1.476 -1.772 -6.432) 6.833 7.710 ( 0.817 0.569 3.134) 3.288 7.918 ( 1.084 -4.283 -0.531) 4.450 8.051 ( -1.683 -2.957 0.002) 3.402 8.457 ( 4.505 4.067 0.024) 6.069 8.996 ( -6.162 1.809 0.013) 6.422 9.050 ( 0.795 0.435 -1.081) 1.411 9.265 ( 5.042 0.173 6.143) 7.949 9.339 ( -3.272 1.230 3.212) 4.747 9.432 ( -4.831 -1.924 -0.802) 5.262 9.555 ( 0.902 -2.850 -2.499) 3.896 9.695 ( 3.376 3.408 0.417) 4.815 9.947 ( 2.785 2.561 -0.647) 3.839 10.083 ( -0.684 -3.815 -3.352) 5.124 10.332 ( -2.036 -4.689 9.889) 11.132 10.369 ( -6.283 2.252 -5.217) 8.471 10.565 ( 3.343 -6.335 -1.658) 7.353 11.071 ( -3.848 -3.017 5.504) 7.362 11.321 ( 2.593 0.597 0.334) 2.681 11.392 ( -0.547 2.229 0.686) 2.396 11.531 ( 2.639 3.065 -1.934) 4.483 11.553 ( -5.814 -3.265 2.903) 7.272 11.878 ( -6.262 2.605 -3.489) 7.626 12.179 ( 1.981 1.118 -2.862) 3.656 12.340 ( -0.275 -5.464 1.214) 5.604 12.437 ( 4.005 10.037 2.203) 11.029 12.517 ( 3.460 -4.383 -2.327) 6.050 12.712 ( 0.121 -1.746 -1.743) 2.470 12.862 ( -0.236 -7.495 -1.161) 7.588 13.342 ( -2.401 -1.048 4.772) 5.444 13.524 ( 6.145 1.215 -2.358) 6.693 13.613 ( -3.990 6.035 -2.622) 7.695 13.910 ( -4.566 -10.065 -1.422) 11.143 14.136 ( -1.967 7.758 1.509) 8.144 14.622 ( 2.367 2.057 1.111) 3.327 15.098 ( -2.923 7.862 0.520) 8.404 15.412 ( 1.938 -6.418 -1.229) 6.816 15.483 ( 3.575 2.475 -1.162) 4.501 15.666 ( -1.929 5.568 -3.913) 7.074 15.935 ( -0.019 2.018 3.934) 4.421 16.171 ( -2.454 7.345 5.958) 9.770 16.338 ( -1.259 -8.763 -2.197) 9.121 16.933 ( 8.009 -2.056 -12.229) 14.762 17.069 ( 2.393 1.355 -0.985) 2.921 17.269 ( 0.990 4.247 0.846) 4.442 17.351 ( -2.233 1.099 0.587) 2.557 17.530 ( -0.423 2.749 3.182) 4.226 20.008 ( 1.633 9.712 3.474) 10.443 20.131 ( 5.495 3.352 -4.162) 7.665 20.566 ( -1.921 -5.122 2.366) 5.960 20.652 ( 1.056 -10.768 -2.836) 11.185 22.500 ( -6.197 10.035 3.947) 12.437 22.686 ( 2.454 10.635 -4.175) 11.686 22.998 ( -2.195 -8.098 3.336) 9.029 23.155 ( 3.033 -9.999 -3.209) 10.930 27.649 ( -0.606 21.314 1.270) 21.360 28.366 ( 5.100 8.530 -15.163) 18.130 28.524 ( 7.827 -11.134 -0.095) 13.610 28.764 ( -2.260 -18.949 6.221) 20.072 30.875 ( -1.652 8.904 0.582) 9.074 31.074 ( 1.433 5.690 -1.292) 6.008 31.118 ( 0.614 7.229 -5.513) 9.112 31.251 ( -2.812 -2.261 3.468) 5.005 31.517 ( 2.240 -6.917 1.426) 7.409 31.558 ( -1.823 -7.143 -4.427) 8.599 31.778 ( -6.417 0.240 10.690) 12.470 32.232 ( 7.954 12.189 -11.160) 18.341 32.987 ( -1.780 9.896 3.204) 10.553 33.215 ( 1.256 7.822 1.760) 8.115 33.477 ( -2.062 -3.043 1.828) 4.105 33.692 ( 2.222 -8.433 -6.288) 10.751 35.441 ( -1.144 1.132 1.750) 2.377 35.506 ( 0.152 1.819 -0.057) 1.826 35.786 ( -6.086 3.400 6.343) 9.425 35.987 ( 1.838 0.087 1.120) 2.154 36.379 ( 1.202 -2.423 4.048) 4.869 36.522 ( -0.334 3.400 -0.451) 3.446 37.640 ( -2.892 -17.342 -0.038) 17.582 37.830 ( 1.727 -1.344 -2.635) 3.425 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -3.044 16.671 14.922) 22.580 1.653 ( -5.182 13.403 25.747) 29.485 2.229 ( -9.746 27.648 7.135) 30.172 2.412 ( 1.071 3.350 3.801) 5.178 2.528 ( 2.487 13.005 4.216) 13.896 2.613 ( 1.919 3.682 -1.155) 4.310 2.799 ( 2.858 -5.813 -4.346) 7.801 2.879 ( -2.696 8.423 2.968) 9.329 3.312 ( 2.920 -5.680 -8.299) 10.471 3.531 ( 4.196 -3.235 -2.529) 5.871 3.588 ( -3.709 -0.176 -3.771) 5.292 3.663 ( -4.080 -0.385 -1.671) 4.426 3.784 ( 1.960 -2.378 -4.083) 5.115 4.001 ( 3.557 -0.900 -1.797) 4.086 4.157 ( -2.765 0.127 0.834) 2.891 4.516 ( 3.443 -2.267 -1.015) 4.245 4.721 ( 4.238 -7.444 -0.832) 8.606 4.808 ( 3.519 0.841 0.862) 3.719 4.907 ( 2.563 -2.414 -0.214) 3.527 5.139 ( 0.860 3.532 -4.198) 5.553 5.171 ( -3.015 0.378 -7.532) 8.122 5.362 ( -0.383 -1.120 1.515) 1.922 5.485 ( -7.575 -1.756 -1.162) 7.862 5.612 ( -0.149 4.976 2.105) 5.405 5.739 ( 2.281 -2.945 -0.186) 3.730 5.905 ( -7.051 0.582 1.645) 7.263 5.971 ( 2.277 -0.466 7.094) 7.465 6.279 ( 3.808 0.864 -3.813) 5.457 6.450 ( -3.556 -3.838 -1.436) 5.426 6.589 ( -2.410 -0.858 -7.147) 7.591 7.773 ( 6.494 -0.924 7.847) 10.227 7.962 ( -4.192 -5.768 -4.757) 8.572 8.180 ( 2.599 -6.449 3.032) 7.585 8.462 ( 5.079 1.376 4.212) 6.740 8.897 ( -7.039 0.355 -0.852) 7.099 9.068 ( 1.282 -1.179 1.782) 2.492 9.236 ( -0.525 6.494 0.587) 6.542 9.284 ( -4.270 4.672 0.232) 6.333 9.446 ( -0.868 -1.693 1.895) 2.685 9.549 ( -4.234 -1.645 -6.089) 7.597 9.720 ( 0.890 0.614 1.470) 1.825 9.889 ( 4.005 2.880 0.072) 4.933 10.129 ( 1.242 -2.113 4.557) 5.175 10.320 ( -0.397 -2.382 -2.718) 3.636 10.500 ( -3.625 -8.710 9.372) 13.298 10.703 ( 0.688 -7.359 -4.278) 8.540 11.164 ( -2.322 -6.548 4.637) 8.353 11.317 ( -3.060 1.821 -0.153) 3.564 11.376 ( -0.543 -1.401 -1.953) 2.464 11.483 ( 1.036 1.221 -3.377) 3.738 11.589 ( -4.222 -2.742 5.588) 7.521 11.748 ( -5.814 2.918 -2.922) 7.131 12.159 ( 2.865 3.136 0.964) 4.356 12.359 ( 3.996 -0.248 2.195) 4.566 12.428 ( -1.439 -2.438 0.458) 2.867 12.615 ( 3.603 -0.939 -2.852) 4.690 12.719 ( 2.507 -4.300 -2.401) 5.527 12.934 ( -0.356 -2.756 -3.082) 4.150 13.409 ( -3.019 -2.704 5.895) 7.154 13.481 ( 2.022 2.402 -3.088) 4.404 13.545 ( 2.129 0.978 -1.035) 2.562 13.896 ( -9.934 4.315 -6.119) 12.440 14.127 ( 7.713 -2.746 7.560) 11.144 14.598 ( 1.105 2.731 1.381) 3.254 14.956 ( -1.725 6.904 2.288) 7.475 15.312 ( -2.405 8.805 -5.464) 10.638 15.415 ( 1.316 10.516 -0.809) 10.628 15.616 ( 7.747 2.733 -9.778) 12.771 15.834 ( -0.116 9.590 6.049) 11.339 16.172 ( -4.312 -5.245 3.569) 7.671 16.488 ( 0.339 -9.167 -2.185) 9.430 16.834 ( 5.725 8.177 -14.938) 17.966 17.036 ( 3.423 5.703 -2.980) 7.288 17.185 ( 0.784 4.993 -0.975) 5.147 17.318 ( 0.502 3.760 3.276) 5.012 17.485 ( -2.762 2.593 2.871) 4.753 19.900 ( 2.921 6.711 4.854) 8.783 20.108 ( 4.884 1.247 -0.819) 5.107 20.697 ( -2.123 -8.978 3.076) 9.725 20.842 ( 1.640 -10.554 -2.352) 10.936 22.292 ( -8.028 9.087 3.888) 12.734 22.469 ( 2.898 11.859 -4.809) 13.121 23.138 ( -4.024 -7.300 2.812) 8.797 23.317 ( 2.555 -7.837 -4.779) 9.528 27.306 ( 0.137 17.575 1.685) 17.657 27.934 ( 5.761 28.233 -23.284) 37.046 28.903 ( 5.407 -19.952 3.031) 20.893 29.109 ( -3.613 -17.956 3.644) 18.675 30.693 ( 7.622 12.439 4.109) 15.156 30.975 ( 6.117 7.113 0.099) 9.382 30.981 ( 1.822 6.116 -3.952) 7.506 31.245 ( -3.998 3.496 5.604) 7.720 31.628 ( -4.478 -1.150 1.916) 5.004 31.689 ( 0.822 -9.041 1.569) 9.212 31.814 ( -0.638 -5.822 2.315) 6.298 31.999 ( 0.439 10.818 -5.504) 12.146 32.824 ( 0.976 10.153 4.364) 11.095 33.048 ( -0.554 11.748 2.359) 11.996 33.543 ( -1.562 -3.867 1.458) 4.418 33.804 ( 2.410 -6.479 -8.147) 10.685 35.417 ( -1.016 1.741 2.133) 2.935 35.476 ( 0.688 1.668 -0.128) 1.809 35.712 ( -4.757 3.510 5.424) 8.023 36.001 ( 2.587 0.645 -1.070) 2.873 36.399 ( 0.328 4.583 -1.347) 4.788 36.489 ( 3.171 -0.910 2.485) 4.130 37.906 ( 10.892 -9.488 -13.074) 19.483 37.984 ( -20.020 -22.768 12.757) 32.893 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 2.977 15.434 21.158) 26.358 1.366 ( -5.738 30.586 21.422) 37.780 1.841 ( -7.691 6.748 32.864) 34.420 2.184 ( -8.382 12.548 -10.979) 18.661 2.313 ( -3.002 7.431 -7.511) 10.984 2.772 ( 10.168 -3.216 11.575) 15.739 2.916 ( -1.045 -8.245 4.017) 9.231 2.949 ( 4.347 -9.306 -7.537) 12.740 3.429 ( 9.532 -6.206 -3.102) 11.789 3.549 ( -2.049 -1.931 -2.564) 3.808 3.599 ( 3.663 -0.557 1.447) 3.978 3.649 ( 0.723 -0.278 -2.343) 2.468 3.834 ( 3.153 -1.952 -4.439) 5.784 3.977 ( -0.750 3.268 -7.373) 8.100 4.152 ( 1.356 -0.076 1.263) 1.854 4.487 ( -1.981 2.924 -3.064) 4.675 4.804 ( -0.711 1.090 5.287) 5.445 4.866 ( -1.222 3.770 -0.403) 3.984 4.916 ( 7.944 -1.606 2.072) 8.365 4.989 ( 2.197 4.828 -2.457) 5.846 5.175 ( 1.063 -0.916 -4.957) 5.151 5.283 ( -8.201 4.020 -1.865) 9.322 5.430 ( -9.053 -0.623 -3.722) 9.808 5.591 ( -6.032 -2.778 -3.007) 7.290 5.753 ( -3.606 3.142 -5.922) 7.612 5.813 ( 1.599 -1.946 -0.666) 2.605 6.100 ( 3.989 -2.074 10.233) 11.177 6.267 ( 2.947 1.425 -2.247) 3.970 6.500 ( -2.364 -4.803 -3.004) 6.139 6.565 ( -3.836 -2.254 -3.160) 5.457 7.889 ( 5.705 -1.124 6.757) 8.915 8.034 ( -5.358 -7.713 -4.474) 10.403 8.289 ( -0.826 -4.698 -0.649) 4.814 8.511 ( 3.821 -0.044 3.783) 5.377 8.903 ( -0.417 -2.424 2.950) 3.840 9.066 ( -7.798 6.374 0.693) 10.095 9.126 ( 2.586 1.903 -0.399) 3.235 9.156 ( 2.313 3.328 0.881) 4.148 9.466 ( -2.171 -1.031 -1.661) 2.922 9.501 ( -2.651 -0.515 -7.148) 7.641 9.681 ( -3.067 2.889 5.679) 7.071 9.926 ( 6.977 0.642 1.817) 7.239 10.256 ( 1.487 -6.473 5.852) 8.852 10.359 ( 0.317 -2.291 -1.133) 2.576 10.649 ( -3.227 -5.192 6.981) 9.279 10.762 ( -2.862 -4.527 -9.222) 10.664 11.167 ( -7.627 6.021 -3.119) 10.205 11.286 ( -3.271 -2.730 2.490) 4.935 11.384 ( 2.453 -1.951 -2.166) 3.809 11.455 ( -1.323 0.696 -7.068) 7.224 11.650 ( -4.149 -2.859 5.837) 7.711 11.734 ( 1.102 -3.741 4.321) 5.821 12.177 ( 2.959 -1.052 5.593) 6.414 12.444 ( 3.646 -1.140 -0.939) 3.934 12.459 ( 5.046 -4.428 1.525) 6.884 12.693 ( -0.370 -7.472 1.634) 7.658 12.831 ( 4.959 -3.685 -2.101) 6.526 12.929 ( -1.939 -0.367 -3.738) 4.228 13.389 ( -2.149 1.115 0.472) 2.467 13.517 ( 1.804 -1.554 1.886) 3.037 13.552 ( 0.667 -0.614 -0.754) 1.179 13.678 ( -7.739 6.656 -7.460) 12.643 14.320 ( 11.439 -6.005 8.134) 15.267 14.572 ( 0.547 0.858 -0.160) 1.030 14.837 ( 0.772 8.591 4.193) 9.590 15.118 ( -1.296 5.877 -4.012) 7.233 15.217 ( 3.321 18.267 -4.664) 19.144 15.271 ( 6.336 22.929 -9.556) 25.637 15.824 ( 9.414 3.482 8.261) 12.999 16.238 ( -8.761 -5.237 -0.403) 10.215 16.602 ( -0.361 -4.495 -3.759) 5.871 16.652 ( 1.359 5.476 -6.274) 8.438 16.954 ( 2.209 2.564 0.230) 3.392 17.083 ( 0.618 6.158 -1.877) 6.467 17.268 ( 2.650 4.374 2.888) 5.873 17.426 ( -5.741 1.805 1.824) 6.288 19.874 ( 4.715 2.931 6.308) 8.403 20.143 ( -0.641 -2.145 0.044) 2.239 20.863 ( -0.591 -7.804 3.153) 8.438 21.005 ( 0.954 -7.117 -1.736) 7.387 22.112 ( -9.241 5.490 3.383) 11.268 22.282 ( 3.791 8.179 -4.831) 10.228 23.225 ( -4.924 -4.927 2.940) 7.560 23.412 ( 1.953 -3.840 -4.789) 6.442 27.056 ( 0.131 10.833 0.970) 10.878 27.287 ( -0.268 29.305 -11.967) 31.655 29.279 ( 3.220 -14.447 2.003) 14.937 29.363 ( -3.008 -11.008 1.406) 11.498 30.701 ( 19.091 1.482 5.286) 19.865 30.880 ( 3.250 5.064 -3.210) 6.820 30.953 ( 21.305 5.840 3.971) 22.445 31.147 ( -7.954 5.852 8.843) 13.256 31.571 ( -6.472 1.354 0.029) 6.613 31.699 ( -6.795 6.650 -5.139) 10.808 31.915 ( 6.433 -4.488 4.209) 8.902 32.023 ( -0.732 -10.721 2.377) 11.005 32.707 ( 5.630 7.386 3.566) 9.948 32.838 ( 0.467 11.928 1.361) 12.015 33.593 ( -1.837 -2.190 1.315) 3.147 33.865 ( 2.433 -3.599 -9.063) 10.050 35.389 ( -1.732 1.516 2.489) 3.390 35.463 ( 1.746 0.491 -0.638) 1.923 35.658 ( -2.991 2.044 4.470) 5.754 35.974 ( 2.381 2.433 -5.843) 6.763 36.324 ( 1.898 3.481 3.060) 5.009 36.539 ( -0.362 -1.303 0.859) 1.602 38.092 ( 15.717 -6.828 -9.030) 19.369 38.261 ( -33.927 -21.626 2.502) 40.311 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 14.803 0.000 19.958) 24.849 1.653 ( 5.225 0.000 9.262) 10.634 1.745 ( 11.830 0.000 -2.491) 12.089 2.122 ( 16.158 0.000 -19.203) 25.096 2.491 ( 10.759 0.000 17.795) 20.795 2.858 ( 3.921 0.000 -11.949) 12.576 2.984 ( -5.707 -0.000 0.919) 5.781 3.089 ( 1.756 0.000 1.371) 2.228 3.465 ( -3.438 -0.000 -2.861) 4.473 3.527 ( -14.520 -0.000 -5.063) 15.377 3.617 ( 1.980 0.000 -2.733) 3.375 3.654 ( -7.020 -0.000 -6.152) 9.334 3.756 ( 3.146 0.000 4.028) 5.111 3.800 ( -1.672 -0.000 -1.725) 2.402 4.220 ( -4.081 -0.000 -4.715) 6.236 4.254 ( 0.370 0.000 6.812) 6.822 4.772 ( -15.982 -0.000 3.959) 16.465 4.851 ( -0.720 -0.000 0.406) 0.826 4.962 ( -3.378 -0.000 -1.369) 3.645 5.053 ( -3.981 -0.000 2.596) 4.752 5.121 ( -11.526 -0.000 -5.858) 12.929 5.259 ( 8.871 0.000 4.103) 9.774 5.307 ( 15.095 0.000 3.184) 15.427 5.329 ( 12.247 0.000 4.064) 12.904 5.771 ( -1.176 -0.000 -5.743) 5.862 5.828 ( 0.681 0.000 -1.210) 1.389 6.195 ( -2.654 -0.000 0.501) 2.700 6.348 ( 7.031 0.000 1.494) 7.188 6.424 ( -6.751 -0.000 -2.436) 7.177 6.569 ( 3.197 0.000 1.549) 3.552 7.869 ( -3.692 -0.000 2.246) 4.322 7.962 ( 1.441 0.000 0.549) 1.542 8.465 ( -4.814 -0.000 -5.018) 6.954 8.495 ( 3.986 0.000 5.923) 7.139 8.916 ( 0.147 0.000 0.089) 0.172 9.012 ( -1.585 -0.000 -6.287) 6.483 9.231 ( 4.157 0.000 5.062) 6.550 9.323 ( 5.361 0.000 -1.770) 5.646 9.339 ( 2.114 0.000 -0.986) 2.332 9.387 ( 1.848 0.000 -2.105) 2.802 9.776 ( -0.141 -0.000 7.266) 7.267 9.964 ( 0.609 0.000 -4.889) 4.927 10.320 ( 0.823 0.000 2.943) 3.055 10.405 ( 3.175 0.000 5.279) 6.160 10.608 ( -6.995 -0.000 -6.002) 9.217 10.868 ( 9.118 0.000 -2.387) 9.426 11.013 ( -2.484 -0.000 9.620) 9.936 11.192 ( -2.784 -0.000 -6.725) 7.278 11.317 ( 1.760 0.000 2.916) 3.406 11.493 ( 6.429 0.000 -3.121) 7.146 11.794 ( 0.173 0.000 1.222) 1.234 11.948 ( 13.101 0.000 3.897) 13.668 12.302 ( -7.536 -0.000 0.905) 7.590 12.419 ( -7.057 -0.000 -7.265) 10.129 12.533 ( -7.852 -0.000 -2.073) 8.121 12.701 ( 2.219 0.000 1.563) 2.714 12.874 ( 0.652 0.000 -2.123) 2.221 12.924 ( 3.849 0.000 -0.291) 3.860 13.372 ( -2.695 -0.000 -1.593) 3.131 13.422 ( 4.639 0.000 3.634) 5.893 13.518 ( -3.290 -0.000 -0.428) 3.318 13.600 ( 3.234 0.000 0.355) 3.253 14.533 ( -1.521 -0.000 -1.830) 2.380 14.541 ( -0.107 -0.000 -0.807) 0.814 14.803 ( -19.425 -0.000 -7.483) 20.816 14.894 ( -3.457 -0.000 -1.282) 3.687 14.976 ( 2.546 0.000 -0.304) 2.564 15.184 ( 6.347 0.000 -0.851) 6.404 15.996 ( -5.883 -0.000 -1.553) 6.084 16.257 ( 13.890 0.000 3.849) 14.413 16.557 ( -1.545 -0.000 -2.044) 2.562 16.596 ( 0.964 0.000 -0.590) 1.130 16.959 ( -1.750 -0.000 -0.520) 1.825 17.002 ( 0.748 0.000 -0.632) 0.979 17.260 ( -4.805 -0.000 -0.820) 4.875 17.423 ( 7.286 0.000 3.610) 8.132 20.023 ( -4.790 -0.000 -4.143) 6.333 20.089 ( 4.302 0.000 5.924) 7.321 20.983 ( -0.620 -0.000 2.667) 2.738 21.039 ( -0.907 -0.000 -1.328) 1.608 21.958 ( -4.782 -0.000 4.965) 6.893 22.247 ( 5.465 0.000 -3.404) 6.439 23.271 ( -1.455 -0.000 3.756) 4.028 23.429 ( 2.882 0.000 -3.256) 4.349 26.966 ( -0.044 -0.000 0.187) 0.192 26.967 ( -0.140 -0.000 -0.113) 0.180 29.441 ( 0.010 0.000 -0.037) 0.039 29.504 ( 5.008 0.000 1.145) 5.137 30.694 ( -27.113 -0.000 -2.151) 27.199 30.760 ( -2.343 -0.000 1.209) 2.637 30.779 ( -2.771 -0.000 -2.216) 3.548 31.402 ( -3.825 -0.000 -5.660) 6.832 31.451 ( -1.090 -0.000 1.672) 1.996 31.846 ( 19.616 0.000 -1.425) 19.667 32.131 ( 3.027 0.000 2.985) 4.251 32.232 ( 8.453 0.000 -2.627) 8.852 32.663 ( 0.399 0.000 -0.839) 0.929 33.123 ( 37.216 0.000 -19.110) 41.836 33.586 ( -3.890 -0.000 4.004) 5.583 33.807 ( 3.076 0.000 -8.170) 8.730 35.364 ( -2.447 -0.000 2.244) 3.320 35.490 ( 1.887 0.000 -1.758) 2.579 35.673 ( -1.435 -0.000 5.235) 5.428 35.866 ( 2.052 0.000 -6.303) 6.628 36.429 ( -0.745 -0.000 6.863) 6.903 36.436 ( -5.748 -0.000 -2.889) 6.434 37.507 ( -43.490 -0.000 14.456) 45.830 38.586 ( 20.886 0.000 1.453) 20.936 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 3.254 -8.845 -6.068) 11.209 1.858 ( 9.161 -15.221 8.018) 19.491 2.001 ( 12.259 -7.293 17.883) 22.875 2.267 ( 17.836 -13.686 -16.419) 27.839 2.608 ( 5.957 1.108 0.498) 6.080 2.757 ( 3.716 5.815 -10.352) 12.441 2.894 ( 0.384 4.487 1.575) 4.771 3.054 ( 1.238 4.085 -1.520) 4.531 3.378 ( -8.713 1.768 -1.901) 9.092 3.452 ( -7.041 -2.524 -12.419) 14.497 3.520 ( 1.866 2.504 -0.327) 3.140 3.677 ( -5.377 -4.094 -0.437) 6.772 3.711 ( -0.115 4.086 2.437) 4.759 3.872 ( -1.544 -5.811 2.581) 6.543 4.185 ( 1.326 1.050 -1.998) 2.618 4.289 ( -0.834 0.289 7.581) 7.632 4.651 ( -22.847 -1.756 2.358) 23.035 4.814 ( -2.095 3.312 -1.331) 4.138 4.942 ( 0.467 -0.918 0.831) 1.324 5.012 ( -5.403 1.138 -0.558) 5.550 5.077 ( -3.463 -2.006 -1.111) 4.154 5.349 ( 8.042 -2.020 1.943) 8.517 5.441 ( 13.984 0.847 4.911) 14.845 5.582 ( 9.811 -10.163 5.740) 15.247 5.724 ( 2.033 2.013 -4.382) 5.234 5.805 ( -1.858 -1.295 -1.176) 2.552 6.170 ( -2.870 0.723 0.168) 2.964 6.294 ( -6.143 4.985 -5.241) 9.489 6.420 ( 6.982 1.418 3.822) 8.085 6.546 ( 1.015 5.349 1.618) 5.680 7.874 ( -0.763 -0.072 3.296) 3.383 7.966 ( 3.412 3.426 1.984) 5.226 8.335 ( -5.950 5.665 -5.654) 9.973 8.531 ( 0.612 -0.418 2.322) 2.438 8.875 ( -3.742 0.687 0.203) 3.810 9.041 ( -3.897 -5.255 -2.146) 6.885 9.212 ( -1.647 3.637 0.273) 4.002 9.335 ( 9.333 -1.085 -4.218) 10.299 9.414 ( 2.999 -0.125 3.025) 4.262 9.447 ( 7.910 -3.259 0.020) 8.556 9.808 ( -2.306 -0.566 2.629) 3.543 9.961 ( 2.109 -0.916 -3.773) 4.419 10.287 ( 0.761 5.228 2.361) 5.786 10.417 ( 6.138 8.970 1.434) 10.964 10.510 ( -5.578 -0.931 1.475) 5.844 10.870 ( 7.311 5.086 -2.492) 9.248 11.073 ( -2.426 -1.213 8.569) 8.988 11.215 ( -2.047 -5.869 -3.061) 6.928 11.370 ( 3.660 -3.116 1.594) 5.064 11.523 ( 6.586 0.131 -1.264) 6.707 11.784 ( 4.036 2.782 1.593) 5.154 11.974 ( 12.736 11.606 -5.213) 18.002 12.183 ( -9.882 0.880 4.261) 10.797 12.316 ( -6.783 0.983 -6.806) 9.659 12.447 ( -5.376 1.049 -1.381) 5.649 12.669 ( -2.398 3.652 0.313) 4.380 12.822 ( -0.285 8.063 -1.184) 8.154 12.881 ( 0.049 1.626 -1.674) 2.334 13.367 ( -3.373 -1.963 -1.653) 4.238 13.449 ( -1.853 0.527 4.489) 4.884 13.603 ( 2.996 -1.875 1.325) 3.775 13.644 ( 8.947 -4.486 2.427) 10.299 14.431 ( -10.630 2.024 -8.966) 14.053 14.565 ( 0.523 -4.359 -0.616) 4.433 14.815 ( -10.798 -15.322 -2.488) 18.909 14.985 ( -1.342 -9.951 3.879) 10.764 15.046 ( 0.648 -6.121 -2.213) 6.541 15.272 ( 0.576 -7.025 -1.585) 7.225 16.014 ( -0.960 -6.290 -4.267) 7.661 16.290 ( 8.165 6.848 3.544) 11.230 16.492 ( -1.676 4.165 0.297) 4.499 16.583 ( 0.528 2.850 0.179) 2.904 16.969 ( -2.789 -3.333 -2.672) 5.102 17.056 ( 0.322 -4.883 0.266) 4.901 17.290 ( -1.740 -6.094 -0.665) 6.373 17.501 ( 4.986 -0.826 2.598) 5.682 19.992 ( -3.221 -3.424 -5.070) 6.914 20.125 ( 1.384 1.692 3.064) 3.764 20.898 ( -1.804 8.704 2.542) 9.246 20.978 ( 0.614 5.862 -2.135) 6.269 22.032 ( -3.152 -8.140 5.510) 10.323 22.340 ( 5.192 -7.153 -3.271) 9.425 23.215 ( -1.848 6.796 4.850) 8.551 23.402 ( 3.526 3.881 -3.051) 6.066 27.101 ( -0.566 -14.321 1.491) 14.410 27.103 ( -0.940 -14.403 -1.440) 14.506 29.284 ( -2.244 15.637 -1.017) 15.830 29.472 ( 6.968 8.790 0.364) 11.222 30.597 ( -17.368 -11.115 -5.312) 21.293 30.763 ( -2.752 -2.240 1.720) 3.943 30.787 ( -4.585 -4.236 -0.081) 6.243 31.368 ( -4.097 -2.788 -4.941) 6.997 31.488 ( -1.297 -3.649 3.303) 5.089 31.859 ( 6.172 8.053 0.229) 10.149 32.030 ( 2.435 12.064 -1.210) 12.367 32.345 ( 14.397 -4.887 -4.135) 15.756 32.794 ( 1.715 -11.655 -1.518) 11.878 33.262 ( 29.349 1.535 -21.694) 36.529 33.557 ( -4.487 2.580 5.058) 7.237 33.764 ( 4.202 2.991 -6.581) 8.362 35.379 ( -2.307 -2.244 1.790) 3.682 35.488 ( 1.096 0.194 -1.310) 1.718 35.709 ( -2.059 -1.840 6.177) 6.766 35.898 ( 3.209 -4.335 -5.895) 7.990 36.371 ( -6.025 0.447 -1.304) 6.181 36.458 ( -3.022 -1.312 3.672) 4.933 37.259 ( -32.553 3.690 19.163) 37.955 38.642 ( 17.006 11.163 0.900) 20.363 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 3.978 -7.781 -7.642) 11.609 2.100 ( -10.891 -7.910 -0.127) 13.461 2.292 ( 3.052 -9.163 12.315) 15.650 2.486 ( 3.130 6.345 -12.026) 13.953 2.629 ( 10.672 -12.355 -2.829) 16.569 2.790 ( 0.061 -1.054 -7.865) 7.936 2.819 ( 8.563 1.065 -2.909) 9.106 3.089 ( 8.558 -9.083 -2.994) 12.834 3.265 ( -7.789 -0.226 -3.029) 8.361 3.417 ( 6.532 -2.494 -6.922) 9.839 3.571 ( 6.777 -2.591 0.898) 7.311 3.626 ( -3.558 1.189 2.801) 4.682 3.744 ( 2.690 -0.346 0.901) 2.858 3.908 ( -6.285 1.025 1.445) 6.530 4.195 ( 3.372 -0.796 1.165) 3.655 4.308 ( -3.894 0.553 6.706) 7.774 4.540 ( -15.061 -1.075 4.361) 15.716 4.730 ( 1.154 2.884 -3.078) 4.373 4.930 ( -3.887 1.797 -2.726) 5.077 5.030 ( 1.222 -3.121 6.565) 7.371 5.063 ( -2.496 -0.010 -0.983) 2.683 5.389 ( -4.477 1.675 -1.367) 4.972 5.531 ( 9.893 2.737 3.839) 10.959 5.675 ( 2.458 3.469 0.067) 4.252 5.749 ( 0.183 -6.780 -2.583) 7.257 5.947 ( 7.585 -3.429 5.526) 9.992 6.075 ( -7.709 7.172 -2.467) 10.814 6.190 ( 1.246 -4.760 -2.333) 5.446 6.414 ( -0.803 6.624 4.210) 7.890 6.487 ( 5.327 1.027 0.601) 5.458 7.846 ( -3.963 2.743 -2.074) 5.247 7.895 ( 1.807 5.698 1.595) 6.187 8.175 ( -5.316 4.756 -2.575) 7.583 8.573 ( 1.541 -2.432 -1.087) 3.077 8.866 ( -0.459 -1.941 2.119) 2.910 9.053 ( -5.249 1.440 -1.321) 5.601 9.183 ( 0.733 -3.494 3.924) 5.305 9.412 ( 2.443 -2.699 -2.516) 4.425 9.460 ( 4.869 1.032 4.559) 6.750 9.533 ( 3.663 -1.154 -2.971) 4.856 9.772 ( -3.213 1.818 -2.028) 4.212 9.967 ( 4.961 1.798 -3.207) 6.175 10.209 ( 1.580 4.858 3.690) 6.302 10.251 ( -0.502 8.311 -3.152) 8.903 10.536 ( 0.332 1.453 5.578) 5.774 10.786 ( 6.195 7.781 -3.633) 10.588 11.081 ( -2.932 1.821 5.392) 6.402 11.304 ( -2.326 -6.163 0.860) 6.643 11.453 ( 1.945 -2.521 -2.555) 4.083 11.599 ( 6.288 -1.255 0.335) 6.421 11.746 ( 3.266 11.359 -7.623) 14.064 11.792 ( 8.810 2.885 2.832) 9.693 12.154 ( -3.782 2.511 -0.642) 4.585 12.257 ( -4.157 -6.370 -0.772) 7.645 12.465 ( -0.181 -2.710 3.798) 4.669 12.549 ( -2.012 5.757 -1.535) 6.289 12.630 ( -3.880 8.171 -1.789) 9.221 12.876 ( -0.649 -0.660 -0.087) 0.930 13.370 ( -5.269 -3.467 -1.230) 6.426 13.449 ( -0.339 2.353 3.872) 4.543 13.571 ( -0.603 1.214 -1.696) 2.171 13.889 ( 14.069 -3.998 6.594) 16.044 14.278 ( -12.151 -2.621 -11.413) 16.876 14.644 ( 1.053 -1.369 -1.569) 2.333 14.951 ( -1.316 -6.139 2.940) 6.933 15.165 ( -2.179 -9.502 3.845) 10.479 15.272 ( -0.591 -13.874 3.036) 14.215 15.411 ( -1.808 -9.812 -1.481) 10.087 16.087 ( -0.314 -4.501 -8.072) 9.248 16.251 ( 5.835 4.723 4.027) 8.519 16.456 ( -2.196 0.766 -2.235) 3.226 16.497 ( -1.062 2.451 4.873) 5.557 17.008 ( -1.882 -4.399 -2.529) 5.412 17.150 ( 0.055 -4.745 1.009) 4.852 17.389 ( -0.625 -5.319 -1.362) 5.526 17.545 ( 1.889 0.150 1.721) 2.560 20.042 ( -1.217 -7.154 -5.723) 9.242 20.095 ( -1.741 1.136 -0.946) 2.284 20.713 ( -2.006 11.433 2.888) 11.961 20.835 ( 2.278 8.984 -2.577) 9.620 22.238 ( -1.949 -12.887 5.495) 14.144 22.517 ( 4.428 -10.087 -3.586) 11.585 23.081 ( -2.913 9.030 5.826) 11.134 23.313 ( 3.452 7.141 -2.855) 8.429 27.383 ( -1.641 -19.472 -3.663) 19.882 27.461 ( -2.053 -22.760 6.088) 23.649 28.907 ( -3.175 21.727 -1.451) 22.006 29.316 ( 8.331 14.346 -2.192) 16.733 30.715 ( -5.791 -12.704 -3.542) 14.404 30.828 ( -3.022 -6.567 1.272) 7.340 30.859 ( -4.448 -7.656 2.099) 9.100 31.371 ( -3.263 -3.038 -3.696) 5.791 31.580 ( -3.765 -5.317 4.625) 7.990 31.722 ( 2.511 9.825 0.225) 10.143 31.806 ( 3.282 13.350 -2.583) 13.988 32.515 ( 15.824 -3.469 -8.066) 18.097 33.011 ( 2.384 -11.198 -4.246) 12.211 33.283 ( 13.128 1.690 -14.242) 19.443 33.482 ( -4.906 4.812 4.859) 8.416 33.699 ( 5.337 4.990 -3.886) 8.276 35.414 ( -2.039 -2.295 1.093) 3.259 35.497 ( 0.488 -1.117 -0.513) 1.323 35.770 ( -3.480 -2.915 7.356) 8.645 35.966 ( 2.661 -2.873 -3.714) 5.397 36.315 ( -6.411 0.227 1.353) 6.556 36.485 ( -2.898 -3.559 -0.537) 4.621 37.128 ( -18.526 0.232 17.982) 25.819 38.475 ( 12.499 18.382 -3.474) 22.499 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.110 4.524 -5.059) 7.465 2.132 ( -9.670 -10.711 -5.119) 15.311 2.309 ( 0.590 4.068 -5.823) 7.128 2.535 ( -3.343 -3.590 3.211) 5.863 2.616 ( -3.337 2.174 1.762) 4.355 2.768 ( 2.102 -3.312 -5.236) 6.542 3.013 ( 6.632 -7.699 -0.827) 10.195 3.142 ( 5.995 2.437 -6.641) 9.273 3.378 ( 6.649 -4.522 -1.225) 8.134 3.568 ( 2.114 -4.881 -4.518) 6.979 3.594 ( 7.834 1.013 -0.859) 7.946 3.702 ( -4.940 2.218 2.314) 5.889 3.761 ( 2.797 -9.733 0.619) 10.145 3.873 ( 5.506 1.846 5.215) 7.805 4.189 ( -6.734 1.596 -2.242) 7.275 4.318 ( 0.202 -1.036 7.138) 7.215 4.533 ( -3.137 -2.536 4.676) 6.176 4.692 ( 0.766 1.591 -5.022) 5.324 4.834 ( -1.299 3.278 -2.177) 4.144 5.043 ( 1.685 0.583 -1.596) 2.393 5.139 ( 0.465 -3.888 5.689) 6.907 5.249 ( -10.356 3.932 -1.562) 11.187 5.515 ( -0.524 3.422 -1.635) 3.829 5.635 ( 1.568 3.454 1.678) 4.148 5.834 ( 1.609 1.945 -3.149) 4.036 5.883 ( -3.506 -0.401 3.033) 4.653 6.039 ( -0.063 -0.155 2.638) 2.643 6.307 ( 0.737 0.381 5.652) 5.712 6.379 ( 2.277 -4.454 -2.204) 5.466 6.523 ( 4.526 -0.618 -0.968) 4.670 7.759 ( 0.367 2.499 0.787) 2.646 7.855 ( 0.675 1.377 1.068) 1.869 8.041 ( -6.034 2.919 -1.842) 6.952 8.566 ( -1.305 0.669 -7.597) 7.737 8.978 ( -0.626 -2.298 2.683) 3.587 8.990 ( 0.223 -2.891 2.747) 3.994 9.299 ( 3.268 -2.418 3.165) 5.152 9.424 ( -2.302 1.348 1.577) 3.099 9.470 ( -2.709 5.039 -1.381) 5.885 9.481 ( 2.433 2.063 -0.035) 3.191 9.755 ( -0.446 -5.679 -3.689) 6.786 9.941 ( 5.814 3.899 0.256) 7.005 10.081 ( -0.169 7.677 -2.947) 8.225 10.244 ( 3.245 -2.649 5.484) 6.901 10.479 ( -3.510 5.271 0.425) 6.347 10.657 ( 3.768 7.879 -6.078) 10.641 11.053 ( -3.881 1.301 5.105) 6.543 11.379 ( -3.190 -3.051 0.252) 4.421 11.468 ( -0.308 0.776 -1.890) 2.066 11.506 ( 4.106 5.341 -7.053) 9.753 11.681 ( 4.279 3.864 2.810) 6.414 11.873 ( 7.217 -1.353 2.128) 7.645 12.105 ( -1.854 -2.554 -1.365) 3.439 12.370 ( -4.533 6.429 -0.939) 7.922 12.419 ( -3.296 -10.444 -1.174) 11.014 12.458 ( -0.940 1.989 -1.164) 2.489 12.620 ( 3.746 -2.357 5.265) 6.878 12.856 ( 0.759 4.170 -0.266) 4.247 13.370 ( -5.349 0.919 0.066) 5.428 13.435 ( 2.061 -2.835 2.187) 4.131 13.592 ( -1.451 -4.330 0.070) 4.568 13.935 ( 2.969 8.089 0.509) 8.632 14.277 ( 2.010 -4.299 -5.098) 6.965 14.611 ( -3.449 0.345 -0.207) 3.472 15.095 ( 2.135 -7.353 2.352) 8.009 15.306 ( -3.271 -3.268 4.260) 6.287 15.411 ( 0.249 -2.874 -0.107) 2.887 15.576 ( 0.809 -8.240 2.084) 8.537 16.083 ( -4.489 -1.600 -7.639) 9.003 16.238 ( 4.765 6.105 6.223) 9.935 16.351 ( -1.947 1.197 -0.665) 2.380 16.633 ( 1.353 -9.706 0.081) 9.800 17.053 ( -0.081 -2.581 -1.453) 2.963 17.237 ( -0.230 -4.321 1.398) 4.547 17.419 ( -1.321 0.330 -2.097) 2.500 17.563 ( 0.426 -0.372 1.848) 1.933 20.073 ( -2.193 -2.709 -2.832) 4.491 20.157 ( 0.712 -8.016 -5.373) 9.677 20.515 ( -1.783 9.987 3.063) 10.597 20.687 ( 3.033 8.216 -1.979) 8.979 22.494 ( -1.303 -13.198 4.625) 14.045 22.702 ( 2.668 -8.525 -3.696) 9.668 22.931 ( -3.129 7.451 5.350) 9.692 23.170 ( 2.458 9.515 -2.696) 10.190 27.719 ( -0.250 -20.935 -2.551) 21.092 27.898 ( -4.124 -23.716 6.880) 25.036 28.482 ( -1.805 22.720 -0.153) 22.792 29.077 ( 7.643 16.179 -6.850) 19.160 30.865 ( -1.995 -7.874 2.044) 8.376 30.940 ( -2.870 -7.343 1.203) 7.975 31.037 ( 1.060 -11.268 0.962) 11.359 31.376 ( -1.551 -1.681 -3.043) 3.807 31.528 ( 0.284 9.692 -0.668) 9.719 31.578 ( 1.463 9.792 -1.875) 10.076 31.711 ( -3.176 -3.051 6.655) 7.980 32.571 ( 14.566 4.290 -14.675) 21.117 33.134 ( 1.223 -4.589 -6.743) 8.247 33.317 ( 2.349 -2.406 -0.143) 3.365 33.385 ( -4.246 1.682 0.962) 4.667 33.624 ( 4.268 6.051 -0.852) 7.454 35.438 ( -1.494 -1.314 1.164) 2.306 35.521 ( 0.159 -1.127 -0.185) 1.153 35.825 ( -5.114 -1.716 7.384) 9.144 35.987 ( 0.130 -0.131 -0.641) 0.667 36.300 ( -4.052 -1.912 3.769) 5.855 36.525 ( -2.106 -2.752 -0.368) 3.485 37.169 ( -7.304 -6.989 9.997) 14.218 38.188 ( 8.433 18.141 -7.153) 21.246 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 4.176 9.475 5.732) 11.836 2.146 ( -3.840 12.164 4.245) 13.444 2.224 ( 6.922 -3.389 -1.539) 7.859 2.579 ( -3.632 -5.372 -0.160) 6.487 2.698 ( -2.207 -9.162 2.038) 9.642 2.794 ( -0.630 -2.094 -7.495) 7.808 3.057 ( 3.413 5.364 1.960) 6.653 3.203 ( 11.056 -0.553 -7.097) 13.150 3.356 ( 0.637 8.173 3.704) 8.996 3.528 ( 7.474 8.447 -0.067) 11.280 3.582 ( -5.274 -2.666 -2.558) 6.439 3.682 ( -3.738 4.058 -3.116) 6.336 3.860 ( -1.999 3.552 0.903) 4.175 3.910 ( 3.201 -3.683 -1.231) 5.033 4.082 ( -9.050 0.411 -2.887) 9.508 4.415 ( 5.235 -1.450 7.481) 9.245 4.546 ( -3.005 -0.647 1.672) 3.500 4.695 ( 2.489 -5.559 -3.102) 6.835 4.819 ( 2.397 -1.166 -2.755) 3.834 5.023 ( -4.700 -0.324 -2.904) 5.534 5.110 ( -5.720 -1.706 -2.961) 6.663 5.316 ( 8.566 -5.105 6.146) 11.714 5.432 ( -5.853 0.016 -5.626) 8.118 5.597 ( -1.554 0.895 2.552) 3.119 5.788 ( -0.048 1.268 0.334) 1.312 5.937 ( 0.799 -1.123 4.570) 4.774 6.040 ( -0.273 1.490 2.928) 3.296 6.312 ( -1.439 1.539 4.910) 5.343 6.419 ( 1.531 -0.202 -5.604) 5.813 6.562 ( 1.275 -1.575 -4.928) 5.328 7.762 ( 3.134 0.340 2.967) 4.329 7.863 ( 0.163 -0.764 -0.423) 0.888 8.019 ( 2.441 -2.134 4.016) 5.161 8.493 ( -1.795 0.657 -5.655) 5.969 8.970 ( -4.671 -0.209 0.122) 4.677 9.062 ( -0.923 -0.050 -0.106) 0.931 9.306 ( -5.300 0.522 0.139) 5.328 9.324 ( -0.827 2.064 -2.260) 3.170 9.433 ( 2.399 2.274 5.148) 6.118 9.513 ( 1.861 -3.288 -0.655) 3.834 9.843 ( -0.521 5.090 -2.486) 5.688 9.896 ( 6.152 -2.347 0.547) 6.607 10.030 ( 1.863 -2.287 -0.211) 2.957 10.331 ( -4.977 5.362 -0.194) 7.318 10.363 ( 1.558 -2.042 4.264) 4.977 10.532 ( 2.611 2.460 -4.434) 5.703 11.039 ( -4.829 -0.447 5.810) 7.568 11.339 ( 0.386 1.565 -4.855) 5.116 11.441 ( -2.328 2.413 1.118) 3.535 11.474 ( -2.807 -1.887 -0.139) 3.385 11.644 ( 5.200 5.333 0.793) 7.490 11.887 ( 0.628 3.313 -0.678) 3.439 12.210 ( 0.988 -2.429 -0.839) 2.753 12.242 ( 1.312 -1.059 1.675) 2.377 12.428 ( -1.177 -3.294 -1.612) 3.852 12.613 ( -0.472 -6.582 -1.218) 6.711 12.688 ( -1.083 -3.200 -0.911) 3.499 12.722 ( -0.341 7.987 -0.681) 8.023 13.328 ( -4.200 -0.216 1.904) 4.616 13.537 ( 4.310 -2.824 -1.031) 5.255 13.687 ( 2.050 -2.290 3.616) 4.746 13.791 ( -0.592 4.421 -0.461) 4.485 14.256 ( 1.334 5.370 0.363) 5.545 14.640 ( 0.281 -3.207 0.340) 3.237 15.236 ( -0.991 7.570 1.677) 7.817 15.267 ( 3.103 -8.304 0.734) 8.896 15.466 ( -3.500 -3.500 -2.208) 5.419 15.667 ( -2.504 0.382 -0.719) 2.633 16.028 ( 0.495 -0.180 0.709) 0.883 16.226 ( 3.496 0.704 1.911) 4.046 16.313 ( -2.802 4.991 4.330) 7.177 16.796 ( 1.253 -8.880 -8.852) 12.601 17.088 ( 2.611 -1.034 -0.495) 2.852 17.310 ( 0.093 -1.966 1.184) 2.297 17.359 ( -1.825 2.530 -0.036) 3.119 17.573 ( -0.386 0.659 1.252) 1.467 20.121 ( 0.711 -4.236 -2.710) 5.079 20.194 ( 1.000 5.227 0.296) 5.330 20.455 ( -0.062 -5.723 -1.344) 5.879 20.579 ( 1.478 4.267 -0.784) 4.584 22.652 ( -3.126 5.948 3.773) 7.707 22.737 ( -1.912 -5.366 1.552) 5.904 22.937 ( 2.268 -1.486 -3.116) 4.131 23.023 ( 0.835 1.178 -1.080) 1.803 28.056 ( 1.369 21.552 2.207) 21.708 28.091 ( 2.131 -19.419 -0.526) 19.543 28.318 ( -6.705 -21.121 3.731) 22.472 28.789 ( 4.497 14.555 -12.152) 19.487 30.976 ( 1.088 -0.810 4.665) 4.858 31.048 ( -1.898 -6.059 1.622) 6.553 31.181 ( 2.734 -0.070 -1.864) 3.309 31.346 ( 0.896 4.980 -1.236) 5.209 31.410 ( 1.960 -0.008 0.387) 1.998 31.488 ( 4.515 -0.118 -0.385) 4.533 31.759 ( -8.779 -1.961 8.323) 12.255 32.426 ( 8.555 10.582 -17.453) 22.131 33.129 ( -1.365 3.749 0.590) 4.033 33.308 ( 0.183 1.658 4.883) 5.160 33.431 ( -0.911 -3.918 -5.456) 6.779 33.572 ( 2.383 -0.051 -0.464) 2.428 35.452 ( -0.846 -0.227 1.860) 2.056 35.528 ( 0.106 0.379 -0.012) 0.394 35.819 ( -6.162 1.579 6.187) 8.873 35.995 ( 0.374 -0.818 0.503) 1.031 36.354 ( -2.515 -3.256 5.524) 6.888 36.536 ( -2.379 -0.158 1.693) 2.924 37.357 ( -0.269 -12.764 2.112) 12.940 37.922 ( 3.872 11.408 -7.468) 14.174 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 10.597 13.931 12.608) 21.571 1.961 ( -1.443 9.858 18.561) 21.066 2.350 ( 3.814 -2.278 3.757) 5.818 2.576 ( -11.881 2.980 -5.788) 13.548 2.702 ( 7.383 5.308 0.251) 9.097 2.821 ( 7.095 7.413 0.858) 10.297 2.947 ( -1.952 11.902 7.776) 14.351 3.117 ( 7.171 14.531 -4.491) 16.815 3.218 ( 7.255 4.185 -3.247) 8.983 3.455 ( -4.325 -1.857 -8.786) 9.968 3.490 ( -5.578 -2.338 2.802) 6.666 3.627 ( -2.718 2.310 -5.144) 6.260 3.741 ( -3.267 -0.075 -3.347) 4.678 4.002 ( 5.432 -1.959 0.015) 5.774 4.069 ( -5.516 -5.611 -0.328) 7.875 4.481 ( -1.182 -1.240 -0.160) 1.720 4.622 ( 3.085 -6.195 0.859) 6.974 4.798 ( -2.501 -7.076 -2.375) 7.871 4.851 ( 2.200 -0.962 -0.079) 2.403 4.995 ( -10.739 -4.558 -2.823) 12.003 5.153 ( 8.190 -2.396 -1.958) 8.755 5.355 ( -5.938 -0.320 -5.417) 8.044 5.465 ( 6.779 0.101 4.544) 8.162 5.651 ( -0.808 -5.835 1.492) 6.077 5.747 ( 1.708 4.435 -0.602) 4.791 5.913 ( -8.523 4.933 3.057) 10.311 6.064 ( 4.879 0.042 8.230) 9.568 6.297 ( 1.121 0.162 -1.111) 1.587 6.379 ( -1.851 0.574 -4.754) 5.134 6.522 ( -2.633 0.721 -7.468) 7.951 7.835 ( 1.643 -3.472 -1.120) 4.001 7.878 ( 5.060 0.611 5.757) 7.689 8.125 ( 2.305 -3.263 2.363) 4.641 8.475 ( -1.704 -1.686 -0.379) 2.427 8.897 ( -1.607 2.016 0.044) 2.578 9.078 ( 1.788 -0.657 2.324) 3.005 9.263 ( -7.244 -0.680 -2.253) 7.617 9.289 ( -1.928 0.496 -1.052) 2.252 9.455 ( 0.037 -0.312 2.305) 2.326 9.512 ( -0.977 3.973 -4.061) 5.764 9.775 ( 3.593 0.411 3.884) 5.307 9.944 ( 2.494 2.726 -3.424) 5.037 10.096 ( 0.965 -5.720 -2.188) 6.199 10.221 ( -4.745 1.535 -0.113) 4.989 10.435 ( 1.362 -3.496 6.659) 7.643 10.586 ( 1.313 -5.021 -2.217) 5.643 11.079 ( -4.017 -4.052 6.933) 8.979 11.321 ( 2.331 -0.465 -3.752) 4.442 11.372 ( -2.322 2.703 1.711) 3.953 11.492 ( -3.336 -1.478 3.149) 4.820 11.590 ( 3.686 3.903 -0.871) 5.439 11.780 ( -2.975 5.659 -2.668) 6.927 12.199 ( 3.466 -0.261 -1.235) 3.689 12.378 ( 1.156 -3.431 4.586) 5.843 12.480 ( -1.067 3.899 -3.720) 5.494 12.536 ( 2.630 -1.585 0.613) 3.131 12.666 ( -0.050 -1.947 -3.589) 4.083 12.798 ( -4.642 -8.202 -3.696) 10.123 13.343 ( -2.434 -2.799 3.739) 5.267 13.566 ( 1.101 0.572 -2.099) 2.439 13.603 ( 2.956 7.670 0.128) 8.221 13.836 ( -2.063 -0.456 -2.184) 3.039 14.234 ( 6.419 0.375 9.032) 11.087 14.671 ( 1.715 1.707 1.174) 2.690 15.098 ( 1.171 8.114 2.031) 8.446 15.361 ( -5.876 2.705 -5.362) 8.402 15.461 ( 0.716 -3.273 -2.185) 4.000 15.603 ( -1.720 -0.674 -3.723) 4.157 16.031 ( 1.436 7.584 6.419) 10.039 16.195 ( 0.196 6.625 4.594) 8.064 16.315 ( 0.332 -8.330 -0.926) 8.388 16.830 ( -0.242 -1.408 -13.801) 13.875 17.111 ( 3.002 1.404 -0.880) 3.429 17.254 ( -1.130 3.683 -1.703) 4.212 17.379 ( 0.890 -0.010 4.006) 4.103 17.542 ( -0.671 2.882 0.437) 2.991 20.075 ( 1.321 7.883 3.862) 8.877 20.169 ( 4.300 0.645 -2.725) 5.131 20.557 ( -1.826 -5.164 1.295) 5.629 20.640 ( 1.508 -10.968 -2.850) 11.433 22.456 ( -5.558 11.719 4.838) 13.843 22.683 ( 3.503 11.164 -4.508) 12.539 22.976 ( -4.643 -7.817 2.586) 9.453 23.153 ( 2.238 -9.244 -4.119) 10.365 27.682 ( 1.302 21.846 3.510) 22.164 28.211 ( -1.861 13.809 -15.059) 20.516 28.611 ( 4.897 -17.875 0.175) 18.535 28.754 ( -4.470 -18.205 0.363) 18.749 30.919 ( 1.565 7.725 1.672) 8.058 31.083 ( 0.657 6.601 -2.663) 7.148 31.169 ( 7.071 -1.461 4.535) 8.527 31.296 ( 3.106 4.668 5.644) 7.956 31.501 ( -0.288 -8.101 -1.776) 8.299 31.596 ( 5.943 -4.302 -0.380) 7.346 31.742 ( -10.718 -0.971 7.392) 13.056 32.182 ( 5.860 11.318 -14.832) 19.556 33.029 ( 1.504 8.015 4.453) 9.292 33.242 ( -0.263 8.406 1.236) 8.501 33.465 ( -1.201 -3.799 0.826) 4.069 33.651 ( 1.602 -7.001 -6.225) 9.504 35.451 ( -0.683 1.099 2.361) 2.692 35.511 ( 0.433 1.602 -0.018) 1.659 35.765 ( -5.072 2.989 5.951) 8.371 36.015 ( 1.068 -0.465 -0.708) 1.363 36.409 ( -2.902 -1.495 3.644) 4.892 36.526 ( -0.743 0.816 2.394) 2.637 37.598 ( -6.577 -12.851 2.988) 14.742 37.809 ( 5.309 -2.173 -7.462) 9.413 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 10.946 16.972 17.411) 26.665 1.977 ( 4.835 14.130 24.641) 28.813 2.158 ( -6.153 22.332 8.965) 24.838 2.234 ( -10.224 9.886 -7.040) 15.869 2.628 ( 11.727 23.010 -6.282) 26.579 2.800 ( 5.052 -2.990 -7.687) 9.673 2.811 ( 6.841 -3.778 7.559) 10.872 2.909 ( -0.836 5.437 3.385) 6.459 3.333 ( 4.462 -7.306 -1.904) 8.770 3.496 ( 0.481 -3.249 -5.128) 6.090 3.506 ( -4.767 -6.980 -6.059) 10.400 3.604 ( 2.428 -3.654 3.217) 5.440 3.774 ( -0.065 -3.608 -3.205) 4.826 4.014 ( 0.914 3.403 -3.136) 4.717 4.134 ( -0.567 -3.651 1.856) 4.135 4.430 ( -9.729 -0.561 -7.220) 12.128 4.790 ( 2.059 -7.423 1.250) 7.804 4.857 ( -1.429 0.132 3.236) 3.540 4.898 ( -4.078 -4.967 3.550) 7.342 4.991 ( 0.280 -2.250 -2.286) 3.220 5.211 ( 5.397 1.865 -1.984) 6.045 5.284 ( -6.425 -0.051 -4.967) 8.121 5.486 ( 6.229 6.637 1.587) 9.240 5.615 ( -4.692 11.988 -0.851) 12.902 5.728 ( 0.478 -2.537 -1.861) 3.182 5.761 ( -4.055 -0.173 -1.083) 4.201 6.161 ( 3.248 -0.415 9.481) 10.030 6.317 ( 4.428 1.898 -2.331) 5.352 6.363 ( -2.779 -6.304 -2.477) 7.321 6.460 ( -4.689 -2.248 -5.824) 7.808 7.851 ( -3.202 -2.183 -0.795) 3.956 7.973 ( 3.444 -1.089 0.471) 3.643 8.219 ( 4.388 -4.393 5.479) 8.280 8.490 ( -3.739 -2.437 -1.339) 4.659 8.927 ( 3.357 -0.952 4.726) 5.875 9.101 ( -1.779 1.485 3.005) 3.795 9.182 ( 0.958 3.041 -4.286) 5.342 9.245 ( 0.071 2.554 0.866) 2.698 9.405 ( -3.252 0.796 -5.347) 6.309 9.460 ( -0.264 0.575 -1.179) 1.338 9.784 ( 1.650 5.056 5.367) 7.556 9.973 ( 7.224 -3.510 -0.048) 8.031 10.163 ( -4.941 -1.651 0.734) 5.261 10.229 ( -4.017 -8.714 -3.328) 10.156 10.556 ( -1.768 -5.451 4.786) 7.466 10.665 ( 3.229 -4.337 -3.084) 6.225 11.142 ( -8.237 -1.745 4.374) 9.489 11.303 ( 2.864 2.746 2.040) 4.462 11.381 ( 4.829 -0.573 -1.238) 5.018 11.473 ( 1.356 4.655 -2.120) 5.292 11.602 ( -0.906 -3.558 3.436) 5.029 11.682 ( -1.173 -1.904 -1.228) 2.551 12.214 ( 0.840 1.380 2.923) 3.340 12.429 ( 2.197 -1.649 -3.399) 4.370 12.440 ( 1.339 -2.277 4.692) 5.384 12.590 ( -2.104 -4.195 -3.954) 6.136 12.766 ( 4.412 -5.777 -0.374) 7.279 12.843 ( -4.468 -3.798 -3.891) 7.037 13.409 ( -3.337 -2.250 4.717) 6.200 13.508 ( 3.820 3.654 1.207) 5.422 13.562 ( 0.567 -0.024 -2.329) 2.397 13.706 ( -4.825 6.474 -6.913) 10.629 14.394 ( 10.133 -1.927 10.440) 14.676 14.624 ( 0.125 4.041 0.397) 4.063 14.991 ( 0.735 7.085 3.966) 8.153 15.192 ( -3.694 5.519 -4.816) 8.204 15.397 ( -3.213 7.571 -2.833) 8.698 15.556 ( 1.118 8.444 -9.955) 13.102 15.949 ( 3.112 1.832 7.239) 8.090 16.149 ( -1.157 1.772 2.000) 2.912 16.459 ( -1.325 -7.496 -1.339) 7.729 16.716 ( -0.188 4.307 -12.558) 13.277 17.064 ( 2.341 4.978 0.572) 5.530 17.168 ( -0.733 4.329 -2.820) 5.219 17.380 ( 1.936 3.224 3.274) 4.986 17.466 ( -1.221 4.887 -0.065) 5.038 20.004 ( 2.839 4.385 5.171) 7.350 20.143 ( 1.673 2.518 -2.120) 3.692 20.703 ( -1.645 -10.340 3.047) 10.904 20.838 ( 1.527 -10.805 -2.732) 11.250 22.230 ( -6.212 11.132 5.176) 13.759 22.471 ( 4.270 11.802 -4.853) 13.456 23.089 ( -5.569 -7.280 3.404) 9.777 23.297 ( 2.449 -7.429 -4.912) 9.237 27.344 ( 0.876 18.996 3.502) 19.336 27.694 ( -4.249 26.240 -15.926) 30.988 29.018 ( 4.436 -19.245 2.747) 19.940 29.073 ( -2.573 -18.726 0.092) 18.902 30.821 ( 1.638 4.783 0.885) 5.133 30.947 ( -0.345 5.942 -3.871) 7.100 31.215 ( -11.684 4.904 6.611) 14.293 31.304 ( 23.079 3.843 7.409) 24.542 31.563 ( -1.058 0.592 -2.071) 2.400 31.651 ( -4.706 -1.809 -3.306) 6.029 31.818 ( -3.306 -10.650 2.649) 11.461 32.026 ( 16.098 5.632 -7.625) 18.681 32.930 ( 5.623 9.145 3.920) 11.429 33.067 ( 2.348 10.834 -0.294) 11.090 33.530 ( -2.331 -3.729 1.648) 4.696 33.745 ( 2.011 -6.121 -8.045) 10.307 35.428 ( -1.082 2.165 2.352) 3.375 35.487 ( 0.800 1.332 -0.126) 1.559 35.709 ( -3.511 3.081 5.831) 7.471 36.006 ( 1.902 1.733 -4.305) 5.015 36.399 ( -1.436 1.726 2.868) 3.643 36.522 ( -1.210 0.337 0.935) 1.566 37.698 ( -29.882 -13.214 8.517) 33.765 38.022 ( 18.102 -11.699 -7.122) 22.700 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 9.509 0.000 -15.195) 17.925 1.910 ( 15.896 0.000 12.995) 20.532 2.120 ( 8.108 0.000 17.524) 19.309 2.213 ( 22.650 0.000 -19.033) 29.585 2.666 ( 2.746 0.000 -1.716) 3.237 2.815 ( 9.653 0.000 -12.268) 15.610 2.964 ( -0.928 -0.000 3.969) 4.076 3.028 ( -13.886 -0.000 -4.364) 14.556 3.215 ( -8.564 -0.000 -8.131) 11.809 3.380 ( -3.146 -0.000 -5.011) 5.917 3.502 ( -5.446 -0.000 -2.546) 6.012 3.609 ( -0.778 -0.000 0.975) 1.247 3.754 ( -3.889 -0.000 3.813) 5.447 3.812 ( 0.539 0.000 1.526) 1.619 4.216 ( 5.894 0.000 -0.079) 5.895 4.290 ( -8.533 -0.000 3.004) 9.046 4.470 ( -17.618 -0.000 4.563) 18.199 4.829 ( -1.453 -0.000 -0.272) 1.478 4.950 ( 3.239 0.000 -2.020) 3.817 5.016 ( -0.433 -0.000 -0.831) 0.937 5.028 ( -2.967 -0.000 3.775) 4.802 5.409 ( 6.000 0.000 1.785) 6.260 5.572 ( 0.132 0.000 3.332) 3.335 5.587 ( 12.798 0.000 5.704) 14.012 5.744 ( -1.579 -0.000 0.534) 1.667 5.750 ( 6.298 0.000 -3.540) 7.224 6.173 ( -0.790 -0.000 1.596) 1.781 6.284 ( -1.500 -0.000 -5.028) 5.247 6.515 ( 4.969 0.000 5.103) 7.122 6.611 ( 0.111 0.000 1.293) 1.298 7.891 ( 0.250 0.000 1.552) 1.572 8.068 ( 6.085 0.000 5.690) 8.331 8.323 ( -6.361 -0.000 -3.461) 7.241 8.487 ( -5.315 -0.000 -4.061) 6.689 8.843 ( -8.072 -0.000 -1.551) 8.220 8.963 ( 1.274 0.000 3.835) 4.041 9.264 ( 1.205 0.000 -0.580) 1.337 9.372 ( 7.186 0.000 -5.277) 8.915 9.447 ( 2.921 0.000 3.159) 4.303 9.471 ( 7.512 0.000 -0.104) 7.513 9.796 ( -2.056 -0.000 2.193) 3.006 9.955 ( 3.940 0.000 -3.934) 5.568 10.339 ( -1.619 -0.000 0.023) 1.619 10.411 ( -7.088 -0.000 -7.784) 10.528 10.627 ( 8.563 0.000 12.301) 14.988 10.950 ( 6.543 0.000 -4.117) 7.730 11.108 ( -1.273 -0.000 10.336) 10.414 11.129 ( 0.652 0.000 -2.358) 2.446 11.391 ( 2.677 0.000 2.757) 3.842 11.566 ( 5.871 0.000 -0.713) 5.914 11.857 ( 7.688 0.000 2.549) 8.100 12.118 ( -9.074 -0.000 -7.123) 11.536 12.189 ( -9.564 -0.000 -7.023) 11.866 12.191 ( 11.022 0.000 2.702) 11.348 12.440 ( -0.097 -0.000 -1.597) 1.600 12.614 ( -10.653 -0.000 -3.081) 11.090 12.859 ( -1.814 -0.000 0.585) 1.906 12.966 ( 0.342 0.000 -1.999) 2.028 13.355 ( 0.447 0.000 0.107) 0.460 13.468 ( -3.606 -0.000 2.023) 4.135 13.572 ( 4.447 0.000 3.819) 5.862 13.681 ( 6.710 0.000 1.985) 6.998 14.311 ( -15.685 -0.000 -10.696) 18.985 14.488 ( -1.504 -0.000 -1.464) 2.099 14.540 ( -0.917 -0.000 -1.236) 1.539 14.912 ( -0.946 -0.000 5.514) 5.594 14.998 ( 1.510 0.000 -0.750) 1.686 15.221 ( 1.932 0.000 -2.301) 3.004 15.903 ( -2.145 -0.000 -7.066) 7.384 16.435 ( 5.376 0.000 0.665) 5.417 16.554 ( 0.841 0.000 3.450) 3.551 16.622 ( 1.600 0.000 1.816) 2.420 16.923 ( -1.542 -0.000 -0.494) 1.619 16.991 ( -0.638 -0.000 -0.872) 1.081 17.207 ( -1.223 -0.000 -0.478) 1.313 17.543 ( 3.590 0.000 1.868) 4.047 19.902 ( -3.325 -0.000 -5.767) 6.657 20.164 ( -0.865 -0.000 1.420) 1.663 20.992 ( -1.459 -0.000 1.742) 2.272 21.009 ( -0.686 -0.000 -1.713) 1.845 21.966 ( -2.099 -0.000 5.575) 5.957 22.294 ( 4.668 0.000 -2.498) 5.294 23.294 ( -1.394 -0.000 3.857) 4.101 23.447 ( 3.209 0.000 -2.604) 4.132 26.964 ( -0.117 -0.000 -0.120) 0.168 26.966 ( -0.085 -0.000 0.156) 0.177 29.433 ( -0.789 -0.000 -1.110) 1.362 29.595 ( 5.490 0.000 -0.646) 5.528 30.318 ( -11.956 -0.000 -4.852) 12.903 30.717 ( -3.029 -0.000 0.107) 3.031 30.740 ( -3.146 -0.000 2.989) 4.339 31.287 ( -3.210 -0.000 -4.334) 5.393 31.453 ( -2.326 -0.000 2.288) 3.263 31.982 ( 3.540 0.000 -0.749) 3.618 32.183 ( 1.682 0.000 -0.428) 1.735 32.339 ( 9.284 0.000 -4.460) 10.300 32.676 ( 3.267 0.000 -1.836) 3.747 33.364 ( 28.884 0.000 -31.733) 42.910 33.579 ( -5.127 -0.000 6.982) 8.662 33.796 ( 7.013 0.000 -6.723) 9.715 35.350 ( -2.232 -0.000 1.996) 2.994 35.493 ( 1.408 0.000 -2.078) 2.510 35.709 ( -2.320 -0.000 5.779) 6.227 35.848 ( 3.670 0.000 -4.913) 6.132 36.314 ( -5.055 -0.000 -3.112) 5.937 36.433 ( -7.923 -0.000 4.189) 8.962 37.189 ( -25.605 -0.000 25.476) 36.120 38.873 ( 11.664 0.000 2.225) 11.874 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 10.886 -9.613 -11.520) 18.537 2.028 ( 0.315 3.747 4.993) 6.251 2.241 ( 7.031 -1.946 -1.702) 7.491 2.361 ( 6.822 -6.363 -5.896) 11.036 2.682 ( 4.609 -7.680 0.523) 8.972 2.706 ( 1.530 7.691 -3.931) 8.772 2.893 ( 2.342 0.744 -12.884) 13.116 3.062 ( 8.751 -0.667 -3.120) 9.315 3.162 ( -5.944 -4.602 -1.124) 7.601 3.351 ( -1.381 -3.832 -7.345) 8.398 3.527 ( -5.697 -6.050 1.152) 8.389 3.604 ( -0.657 -0.077 2.935) 3.009 3.731 ( -0.495 1.326 1.827) 2.311 3.861 ( -0.321 -2.320 0.732) 2.454 4.189 ( -9.253 -0.307 2.146) 9.504 4.311 ( 2.759 -1.807 4.025) 5.204 4.437 ( -7.786 -2.235 6.307) 10.266 4.784 ( -0.365 3.451 -0.862) 3.575 4.922 ( -1.596 2.831 -1.806) 3.718 5.029 ( -0.886 -0.166 4.645) 4.731 5.060 ( 1.931 -2.443 2.303) 3.872 5.390 ( -6.955 3.230 -2.500) 8.066 5.577 ( -1.496 -4.729 -2.747) 5.670 5.680 ( 6.395 0.728 3.798) 7.473 5.778 ( 8.676 2.130 -0.884) 8.978 5.892 ( 6.397 -8.205 4.242) 11.236 6.161 ( -0.675 1.937 3.097) 3.714 6.196 ( 0.028 6.713 -3.355) 7.505 6.543 ( 2.230 3.449 2.935) 5.048 6.564 ( 0.350 4.220 2.237) 4.789 7.856 ( -1.316 2.843 -3.321) 4.565 8.070 ( 3.929 7.161 4.399) 9.278 8.215 ( -5.952 4.548 -1.169) 7.582 8.460 ( -5.358 -4.742 -7.324) 10.239 8.824 ( -1.515 -2.233 4.410) 5.170 9.029 ( -0.553 -2.438 3.541) 4.334 9.209 ( 0.420 3.979 2.253) 4.592 9.392 ( 3.597 -0.495 -3.664) 5.158 9.506 ( 2.549 -1.378 -3.198) 4.315 9.529 ( 5.070 -1.277 3.326) 6.196 9.791 ( -0.962 1.587 0.584) 1.945 9.966 ( 2.703 -1.042 -5.664) 6.361 10.265 ( -3.279 2.768 -3.085) 5.285 10.337 ( -1.550 1.459 -5.014) 5.447 10.660 ( 1.995 6.571 9.152) 11.442 10.934 ( 6.090 4.918 -4.557) 9.058 11.123 ( -3.466 1.611 4.932) 6.239 11.192 ( -0.864 -5.368 1.987) 5.789 11.426 ( 1.814 -0.928 0.296) 2.060 11.623 ( 6.243 -1.674 1.593) 6.657 11.877 ( -4.147 9.178 -11.855) 15.555 11.951 ( 10.682 2.989 5.385) 12.330 12.125 ( -6.368 -2.492 -1.266) 6.955 12.254 ( 5.374 6.417 -1.402) 8.487 12.417 ( 1.709 -3.442 3.002) 4.876 12.563 ( -5.438 -0.951 -0.359) 5.533 12.779 ( -1.911 12.275 -4.599) 13.247 12.845 ( -3.382 0.166 0.891) 3.501 13.324 ( -2.263 1.831 0.534) 2.960 13.465 ( -1.022 -0.757 3.875) 4.079 13.628 ( 1.378 2.374 -1.646) 3.201 13.833 ( 2.803 -12.389 0.859) 12.732 14.190 ( -0.090 3.772 -0.827) 3.863 14.561 ( 0.230 -6.637 -0.968) 6.711 14.728 ( -0.742 -18.598 1.252) 18.655 15.015 ( -1.932 -9.125 4.303) 10.272 15.068 ( 1.770 -5.907 2.456) 6.637 15.247 ( -0.318 -4.441 -1.989) 4.876 15.910 ( -1.879 -6.984 -10.085) 12.410 16.399 ( 2.143 4.689 -1.400) 5.342 16.511 ( 1.258 6.111 4.887) 7.925 16.611 ( 0.420 5.866 3.032) 6.617 16.918 ( -0.353 -2.738 -0.659) 2.839 17.056 ( -0.463 -5.615 0.121) 5.636 17.271 ( 0.103 -6.295 -0.452) 6.312 17.568 ( 0.973 0.106 0.619) 1.158 19.888 ( -1.701 -4.457 -6.180) 7.807 20.112 ( -3.719 3.048 -2.298) 5.329 20.892 ( -2.082 8.334 1.780) 8.773 20.964 ( 0.679 4.998 -2.233) 5.517 22.062 ( -1.435 -8.217 5.976) 10.261 22.379 ( 3.819 -6.737 -2.553) 8.154 23.238 ( -2.212 6.718 4.482) 8.373 23.420 ( 2.760 3.820 -2.988) 5.580 27.076 ( 0.104 -12.125 -0.904) 12.159 27.114 ( -1.600 -15.533 2.209) 15.771 29.235 ( -1.419 17.149 -1.557) 17.278 29.556 ( 4.788 8.125 -2.717) 9.815 30.404 ( -0.953 -14.455 -1.058) 14.525 30.731 ( -2.212 -3.197 1.944) 4.347 30.760 ( -2.780 -2.990 3.503) 5.380 31.276 ( -1.719 -3.147 -2.992) 4.670 31.480 ( -3.813 -3.874 2.199) 5.863 31.907 ( 1.793 8.426 -0.555) 8.633 32.049 ( 2.444 12.025 -2.851) 12.598 32.464 ( 8.205 -7.062 -5.325) 12.065 32.809 ( 3.482 -10.465 -3.179) 11.478 33.333 ( 17.218 3.465 -29.919) 34.693 33.553 ( -5.355 2.924 7.871) 9.959 33.796 ( 8.868 2.829 -6.483) 11.343 35.366 ( -1.701 -1.983 1.779) 3.161 35.488 ( 0.890 0.065 -1.356) 1.623 35.736 ( -3.747 -1.867 6.254) 7.526 35.898 ( 4.084 -4.243 -4.626) 7.489 36.268 ( -4.302 -0.433 -1.573) 4.601 36.391 ( -8.602 -1.750 1.243) 8.865 37.159 ( -15.525 2.524 28.141) 32.238 38.826 ( 6.384 12.731 -2.029) 14.386 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.428 -4.658 -1.248) 8.856 1.943 ( 2.298 -1.567 -7.479) 7.980 2.273 ( 2.299 -1.501 -11.995) 12.305 2.425 ( -4.336 -1.492 -6.443) 7.909 2.687 ( 1.930 -2.909 -0.360) 3.510 2.816 ( 6.537 1.948 1.149) 6.917 2.903 ( 6.678 -3.647 -3.176) 8.245 3.202 ( 4.069 -12.045 -1.772) 12.837 3.220 ( 8.306 -3.152 -2.691) 9.283 3.444 ( 3.821 -4.337 -4.910) 7.584 3.561 ( -5.967 -5.798 3.868) 9.175 3.689 ( 2.663 -3.512 1.491) 4.653 3.714 ( 0.032 -0.842 -0.650) 1.064 3.899 ( 1.718 -1.762 -0.559) 2.524 4.156 ( -8.663 -0.197 3.737) 9.437 4.380 ( 4.167 0.461 8.020) 9.050 4.483 ( -1.144 -3.645 3.459) 5.154 4.716 ( 0.090 3.047 -1.615) 3.450 4.819 ( -8.206 2.273 -3.376) 9.160 5.040 ( -0.526 -0.681 2.158) 2.323 5.151 ( 2.284 -0.051 4.172) 4.756 5.243 ( -7.482 2.100 -0.205) 7.774 5.586 ( -1.028 4.794 -2.436) 5.475 5.739 ( 4.052 1.272 -2.742) 5.055 5.772 ( 3.143 -0.926 1.185) 3.484 5.952 ( -5.687 6.823 0.043) 8.883 6.094 ( 5.534 2.615 3.875) 7.245 6.221 ( 2.608 -7.552 -1.938) 8.221 6.437 ( -2.624 6.654 5.592) 9.079 6.567 ( 3.659 1.100 0.377) 3.840 7.784 ( 0.439 1.726 -2.763) 3.287 7.984 ( 3.618 7.424 5.025) 9.667 8.079 ( -2.683 5.131 0.405) 5.804 8.438 ( -7.653 -4.124 -11.868) 14.712 8.923 ( 0.307 -4.874 4.319) 6.519 9.000 ( -1.534 3.763 1.345) 4.280 9.276 ( 1.656 -3.880 6.192) 7.493 9.400 ( -1.049 -1.102 -1.005) 1.824 9.481 ( -1.098 1.167 -6.493) 6.688 9.592 ( 2.138 2.433 4.073) 5.204 9.741 ( 5.218 2.560 0.585) 5.842 9.958 ( -0.385 -1.340 -6.890) 7.030 10.173 ( -1.731 4.086 -4.192) 6.105 10.304 ( 3.371 1.107 3.321) 4.860 10.561 ( -3.553 6.985 2.205) 8.141 10.815 ( 4.029 8.985 -6.389) 11.738 11.080 ( -4.073 1.982 3.946) 6.007 11.276 ( -3.663 -4.940 0.969) 6.226 11.447 ( -0.340 -0.762 -2.413) 2.553 11.601 ( -0.192 8.682 -11.630) 14.514 11.738 ( 4.513 -2.662 3.462) 6.280 12.007 ( 10.382 3.227 4.723) 11.854 12.116 ( -1.093 3.687 -2.789) 4.751 12.199 ( -0.129 -4.977 1.746) 5.276 12.421 ( -4.790 2.840 -0.202) 5.572 12.544 ( -2.617 9.523 -2.930) 10.301 12.660 ( 7.281 -3.028 7.321) 10.760 12.842 ( -2.602 -2.441 0.441) 3.595 13.297 ( -3.553 -1.131 0.888) 3.832 13.526 ( 3.395 2.372 5.175) 6.628 13.531 ( -1.404 0.031 -1.708) 2.211 14.020 ( -7.598 -5.518 -6.130) 11.214 14.185 ( 13.518 -0.877 5.762) 14.721 14.609 ( -1.129 1.462 -4.007) 4.413 14.989 ( 0.347 -9.644 4.232) 10.537 15.194 ( -0.927 -5.707 3.699) 6.864 15.299 ( -0.135 -14.564 4.589) 15.271 15.400 ( 0.922 -11.887 2.236) 12.131 15.954 ( -2.589 -5.074 -9.404) 10.995 16.344 ( 0.232 1.156 -4.867) 5.008 16.435 ( 3.056 6.979 5.158) 9.200 16.531 ( -1.860 0.682 4.013) 4.475 16.993 ( 1.342 -4.030 0.332) 4.261 17.148 ( -1.011 -5.325 0.167) 5.423 17.370 ( 0.278 -3.967 -1.116) 4.131 17.567 ( -0.704 0.020 0.159) 0.722 19.963 ( 0.283 -8.082 -6.360) 10.288 20.017 ( -3.917 0.480 -4.465) 5.959 20.713 ( -2.154 10.734 2.820) 11.306 20.840 ( 2.092 7.815 -2.653) 8.514 22.277 ( -1.123 -12.513 5.735) 13.810 22.539 ( 2.903 -9.376 -2.943) 10.246 23.095 ( -3.493 9.273 5.166) 11.175 23.322 ( 2.176 7.165 -3.576) 8.298 27.360 ( 2.039 -18.768 -0.865) 18.898 27.464 ( -5.282 -23.035 4.291) 24.019 28.875 ( 0.724 21.363 0.112) 21.376 29.350 ( 2.305 14.556 -7.044) 16.334 30.697 ( 4.278 -13.203 2.782) 14.155 30.819 ( -0.851 -6.148 3.903) 7.332 30.858 ( -1.044 -8.497 3.701) 9.327 31.325 ( 0.464 -3.264 -0.750) 3.381 31.531 ( -5.884 -3.824 1.129) 7.108 31.758 ( 1.475 8.583 1.270) 8.801 31.828 ( 3.243 12.313 -3.174) 13.122 32.591 ( 8.716 -3.448 -12.340) 15.496 32.990 ( 3.350 -8.798 -7.322) 11.926 33.225 ( 3.373 0.067 -17.086) 17.416 33.487 ( -4.370 5.062 8.306) 10.664 33.756 ( 7.424 5.167 -4.600) 10.147 35.403 ( -1.086 -2.146 1.519) 2.845 35.498 ( 0.386 -1.167 -0.536) 1.341 35.782 ( -5.597 -2.793 6.980) 9.373 35.962 ( 1.023 -2.129 -2.592) 3.507 36.253 ( -2.884 -1.550 1.012) 3.427 36.411 ( -2.743 -5.990 -2.858) 7.181 37.173 ( -8.328 2.307 25.287) 26.723 38.538 ( 3.782 19.104 -8.256) 21.153 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -2.412 -7.175 -1.343) 7.688 2.076 ( 3.606 -10.964 -4.032) 12.226 2.242 ( 4.643 -0.123 -6.475) 7.969 2.400 ( -6.614 -6.916 -7.988) 12.465 2.641 ( 1.541 7.373 3.928) 8.495 2.770 ( -2.234 0.546 1.198) 2.593 3.127 ( 5.373 -4.104 1.682) 6.967 3.233 ( 14.018 -0.462 -3.418) 14.436 3.449 ( -6.162 -4.106 -2.623) 7.855 3.492 ( 3.600 -2.467 4.149) 6.022 3.598 ( -4.162 -3.022 -3.738) 6.359 3.726 ( 6.631 3.226 0.391) 7.384 3.833 ( 0.518 -6.568 0.512) 6.608 3.899 ( 0.337 0.776 -6.773) 6.826 4.090 ( -3.172 4.582 4.413) 7.108 4.451 ( 0.152 -0.973 4.744) 4.845 4.556 ( -3.493 0.484 3.271) 4.810 4.624 ( -1.141 -0.441 -3.454) 3.664 4.770 ( 0.012 -2.065 -0.180) 2.073 5.026 ( -3.669 6.463 -2.256) 7.767 5.091 ( 3.148 -1.216 1.729) 3.792 5.295 ( -0.998 -3.954 5.224) 6.627 5.428 ( -2.144 5.830 -2.770) 6.802 5.639 ( -1.446 5.458 -0.695) 5.689 5.808 ( 0.118 1.854 -0.569) 1.943 5.903 ( -0.453 -4.557 3.275) 5.630 6.086 ( 0.914 3.189 0.825) 3.419 6.335 ( 0.482 -5.022 -7.260) 8.841 6.372 ( -3.007 2.790 7.350) 8.417 6.564 ( 2.104 1.634 -1.000) 2.845 7.767 ( 0.897 -0.319 -1.354) 1.655 7.938 ( 3.999 4.043 5.304) 7.777 8.053 ( 4.773 0.148 3.776) 6.087 8.387 ( -6.296 -3.853 -8.953) 11.603 8.950 ( -1.343 1.335 0.459) 1.948 9.002 ( -3.457 -3.586 -0.078) 4.981 9.298 ( -3.766 1.613 -0.342) 4.112 9.340 ( -2.596 3.438 -5.530) 7.010 9.468 ( 1.001 -2.093 1.778) 2.923 9.537 ( -0.505 4.645 1.234) 4.833 9.817 ( 8.416 -0.531 -0.961) 8.487 9.962 ( -2.171 -3.429 -3.094) 5.103 10.081 ( 4.846 5.312 4.287) 8.371 10.357 ( 0.226 -0.972 3.485) 3.625 10.411 ( -3.134 5.322 1.125) 6.278 10.629 ( 2.044 8.983 -7.296) 11.752 11.041 ( -4.548 1.346 4.488) 6.530 11.301 ( -3.965 -1.461 -4.503) 6.175 11.409 ( -2.579 -1.055 -1.587) 3.207 11.484 ( 1.577 2.604 -3.857) 4.914 11.785 ( 4.950 3.825 3.100) 6.981 11.990 ( 1.277 5.780 -2.232) 6.326 12.141 ( 6.590 -4.853 5.093) 9.640 12.307 ( -3.383 -3.206 0.016) 4.660 12.356 ( -1.579 3.056 -1.280) 3.670 12.407 ( -1.978 -4.240 -1.892) 5.047 12.702 ( 0.532 2.906 1.695) 3.406 12.849 ( -0.769 3.677 -0.369) 3.775 13.291 ( -3.832 -0.668 1.628) 4.216 13.500 ( 1.948 -2.339 -2.499) 3.938 13.678 ( 7.465 -5.195 9.096) 12.863 13.926 ( -1.338 6.834 0.017) 6.964 14.346 ( 6.703 0.536 -1.326) 6.853 14.529 ( -4.733 -3.052 -2.272) 6.073 15.163 ( 1.419 -6.866 3.427) 7.804 15.287 ( -4.174 -4.857 1.597) 6.600 15.428 ( 3.587 2.461 1.426) 4.578 15.613 ( -0.902 -6.109 1.970) 6.482 15.953 ( -2.272 -3.278 -2.646) 4.786 16.297 ( -2.499 -0.411 -2.510) 3.566 16.413 ( 7.127 4.733 5.285) 10.056 16.597 ( -2.716 -7.289 -2.517) 8.175 17.068 ( 2.018 -2.938 0.265) 3.574 17.241 ( -0.357 -5.366 -0.057) 5.378 17.386 ( -0.771 1.056 -0.003) 1.308 17.567 ( -1.200 -0.689 -0.239) 1.404 20.005 ( -2.012 -5.053 -2.991) 6.206 20.109 ( 2.036 -9.668 -6.327) 11.733 20.528 ( -1.670 9.593 3.822) 10.460 20.701 ( 2.101 7.799 -2.677) 8.509 22.526 ( -1.267 -12.351 4.661) 13.262 22.697 ( 1.109 -6.536 -2.319) 7.023 22.941 ( -2.713 6.609 4.257) 8.316 23.164 ( 1.633 9.571 -3.843) 10.442 27.750 ( 5.633 -21.216 0.756) 21.964 27.862 ( -7.640 -24.213 3.358) 25.611 28.499 ( 2.465 22.850 2.592) 23.129 29.013 ( -1.598 17.028 -11.861) 20.813 30.905 ( 0.828 -7.768 4.746) 9.140 30.959 ( 0.616 -6.263 4.239) 7.588 31.100 ( 3.794 -10.675 3.594) 11.886 31.356 ( 1.207 0.776 -1.244) 1.899 31.498 ( -1.642 3.251 -1.183) 3.829 31.647 ( 7.305 8.754 1.088) 11.454 31.698 ( -5.394 0.095 3.637) 6.506 32.523 ( 6.350 6.058 -22.822) 24.451 33.082 ( 0.159 -4.968 -4.030) 6.399 33.256 ( -1.413 -8.354 -6.481) 10.667 33.412 ( -2.451 5.213 8.299) 10.103 33.678 ( 4.863 6.416 -2.365) 8.391 35.440 ( -0.603 -1.596 1.956) 2.595 35.520 ( 0.030 -1.128 -0.338) 1.178 35.812 ( -6.435 -1.087 6.792) 9.420 35.973 ( -0.637 -1.067 -1.166) 1.704 36.292 ( -3.130 -3.503 3.795) 6.039 36.495 ( 0.370 -4.437 -1.439) 4.679 37.250 ( -1.624 -2.945 15.668) 16.025 38.166 ( 2.422 17.822 -11.496) 21.346 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 9.641 -0.158 5.576) 11.139 2.149 ( 0.424 2.203 0.934) 2.430 2.350 ( 5.252 -4.326 1.161) 6.902 2.417 ( -6.909 -3.386 -5.137) 9.251 2.697 ( 0.146 -10.561 2.766) 10.918 2.831 ( 4.435 -8.571 2.425) 9.950 3.109 ( 4.205 7.325 0.522) 8.462 3.286 ( 2.184 8.036 -2.983) 8.846 3.411 ( -0.122 6.750 0.412) 6.763 3.449 ( -4.097 2.896 0.692) 5.065 3.585 ( -2.320 -1.276 -1.464) 3.026 3.646 ( 3.824 13.028 -8.634) 16.091 3.720 ( -3.855 3.469 -3.488) 6.250 3.962 ( 1.871 -0.025 -3.191) 3.699 4.046 ( 4.485 0.186 7.737) 8.945 4.400 ( -10.988 -0.471 -6.650) 12.852 4.554 ( -0.814 -4.073 3.744) 5.592 4.675 ( 1.683 -2.184 -4.082) 4.925 4.809 ( -1.653 -1.172 4.872) 5.276 4.946 ( 1.785 0.101 2.336) 2.942 5.172 ( 7.510 -1.935 -0.293) 7.761 5.275 ( -4.540 0.379 -5.990) 7.526 5.501 ( 6.661 -6.765 5.537) 10.990 5.568 ( -5.422 -0.401 1.788) 5.724 5.800 ( 0.841 1.358 1.538) 2.217 5.944 ( -3.945 2.767 1.423) 5.025 6.069 ( -0.547 -3.879 0.961) 4.034 6.332 ( -3.796 1.620 -0.204) 4.132 6.333 ( 0.114 0.707 -3.869) 3.934 6.521 ( 0.130 3.253 -2.515) 4.114 7.798 ( 2.257 -1.516 0.312) 2.737 7.952 ( 3.188 0.422 0.325) 3.232 8.129 ( 3.707 -1.525 6.033) 7.243 8.393 ( -3.427 -3.654 -2.691) 5.687 8.920 ( 2.099 0.945 -0.055) 2.303 9.048 ( -2.583 -5.088 -0.800) 5.762 9.186 ( -6.751 2.789 -0.549) 7.325 9.295 ( 1.997 1.024 -3.832) 4.441 9.468 ( -0.946 1.975 0.145) 2.195 9.526 ( 1.422 -1.646 -1.767) 2.802 9.783 ( -2.024 2.300 0.294) 3.077 9.972 ( -5.740 -2.521 -4.126) 7.505 10.100 ( 10.141 6.277 5.684) 13.212 10.289 ( 0.038 5.007 -0.380) 5.021 10.429 ( -1.922 -1.773 3.499) 4.368 10.522 ( 2.363 -0.856 -2.953) 3.877 11.032 ( -4.421 -1.544 6.057) 7.656 11.290 ( 1.274 -2.772 -4.359) 5.321 11.423 ( 0.060 3.040 0.119) 3.043 11.435 ( -2.546 -2.791 1.881) 4.220 11.734 ( 4.370 6.823 1.502) 8.241 11.856 ( -2.196 6.795 -4.352) 8.362 12.242 ( 2.604 2.806 1.304) 4.044 12.351 ( 5.788 -6.423 5.793) 10.407 12.370 ( -2.333 -4.035 -2.985) 5.535 12.540 ( -4.150 -11.460 -4.101) 12.860 12.637 ( -1.865 2.690 -1.534) 3.615 12.697 ( -1.180 9.211 -1.354) 9.384 13.310 ( -2.080 -2.084 4.001) 4.968 13.537 ( 0.512 -1.950 -4.460) 4.894 13.781 ( 1.360 7.822 2.690) 8.383 13.856 ( 5.934 1.158 2.382) 6.499 14.311 ( 1.821 0.300 5.622) 5.918 14.622 ( -0.793 -6.791 -3.976) 7.909 15.245 ( -3.032 2.383 3.568) 5.254 15.352 ( 5.767 -0.143 2.766) 6.397 15.374 ( -2.421 -0.106 -2.722) 3.644 15.563 ( -5.638 2.505 -4.286) 7.512 16.092 ( 2.458 -6.916 4.580) 8.652 16.254 ( -3.114 1.956 0.168) 3.681 16.382 ( 5.204 7.324 4.360) 9.987 16.669 ( -1.868 -5.856 -10.078) 11.804 17.135 ( 2.838 -1.581 1.000) 3.399 17.271 ( -2.179 0.908 -3.717) 4.404 17.394 ( 1.285 -1.408 5.022) 5.371 17.556 ( -1.947 0.238 -1.053) 2.226 20.111 ( 0.839 -7.459 -1.025) 7.575 20.198 ( 0.864 1.110 -2.082) 2.512 20.462 ( 1.045 -3.432 1.043) 3.736 20.575 ( 0.400 4.923 -2.409) 5.496 22.649 ( -3.141 9.501 4.382) 10.924 22.728 ( -1.708 -8.091 2.142) 8.542 22.941 ( 2.289 2.993 -2.436) 4.487 23.007 ( 0.478 -1.472 -3.077) 3.445 28.115 ( -0.252 16.682 3.648) 17.078 28.169 ( 5.812 -11.354 1.155) 12.807 28.260 ( -2.070 -20.993 2.858) 21.288 28.622 ( -4.344 12.430 -13.856) 19.114 31.037 ( -0.293 2.719 3.530) 4.465 31.076 ( -1.017 -7.610 4.908) 9.113 31.203 ( 2.217 2.172 -0.833) 3.213 31.331 ( 0.385 -1.550 -2.268) 2.774 31.474 ( 2.399 0.114 3.114) 3.932 31.637 ( 6.385 0.100 -1.391) 6.535 31.689 ( -3.345 0.682 7.079) 7.859 32.297 ( 4.694 7.774 -20.635) 22.545 33.128 ( -0.694 -0.674 1.952) 2.179 33.327 ( -1.126 0.300 -2.909) 3.133 33.398 ( 0.436 -3.265 2.949) 4.421 33.592 ( 1.934 3.657 -2.157) 4.666 35.466 ( -0.854 -0.345 2.490) 2.655 35.529 ( 0.225 0.070 -0.435) 0.495 35.801 ( -4.983 1.242 6.565) 8.335 35.989 ( -0.189 -1.771 -1.573) 2.376 36.355 ( -5.327 -3.749 5.669) 8.636 36.536 ( -1.300 -0.262 3.226) 3.488 37.422 ( 2.250 -7.668 4.921) 9.385 37.857 ( 2.135 9.612 -10.566) 14.442 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 9.374 10.958 10.324) 17.735 2.183 ( 5.601 1.124 0.074) 5.713 2.314 ( -8.118 2.680 3.892) 9.393 2.415 ( 0.053 3.593 2.746) 4.522 2.827 ( -9.526 9.249 -1.226) 13.333 2.930 ( 8.580 6.032 7.952) 13.162 3.018 ( 7.911 10.196 0.785) 12.929 3.172 ( 3.885 -12.037 -3.576) 13.144 3.213 ( -1.674 20.429 -10.290) 22.935 3.331 ( 2.651 -1.447 -7.525) 8.108 3.448 ( 7.445 2.655 0.679) 7.933 3.602 ( 3.306 -0.449 -6.567) 7.366 3.670 ( -7.389 -2.524 4.530) 9.027 4.002 ( -1.772 -5.101 -1.500) 5.604 4.115 ( 3.246 1.118 6.205) 7.091 4.286 ( -8.581 -0.735 -8.011) 11.763 4.691 ( -0.050 -7.190 3.174) 7.859 4.706 ( -2.528 -4.681 -3.462) 6.348 4.879 ( 0.462 -4.512 3.362) 5.646 4.990 ( 0.950 -0.080 5.561) 5.643 5.205 ( -3.817 0.105 -3.507) 5.185 5.253 ( 6.076 -0.780 -2.467) 6.604 5.557 ( -5.498 -1.148 0.226) 5.621 5.680 ( 5.518 -3.183 1.597) 6.568 5.756 ( -3.865 3.530 1.067) 5.341 5.813 ( 1.602 7.362 -0.461) 7.548 6.186 ( -1.559 -7.265 2.016) 7.700 6.265 ( -3.786 3.199 4.888) 6.961 6.313 ( 0.717 -2.156 -6.502) 6.887 6.430 ( 0.343 4.718 -2.716) 5.454 7.835 ( 1.185 -0.357 2.007) 2.358 7.936 ( -3.102 -0.909 -5.869) 6.701 8.267 ( 8.222 -2.993 10.234) 13.464 8.383 ( -5.727 -1.624 -4.404) 7.405 8.953 ( -0.989 0.180 2.807) 2.981 9.116 ( -1.296 -5.569 -4.329) 7.171 9.135 ( 1.633 -0.171 3.243) 3.635 9.275 ( 4.193 2.000 -3.709) 5.945 9.436 ( -1.053 1.643 0.442) 2.001 9.490 ( 0.336 3.579 -0.367) 3.613 9.830 ( -0.901 -5.111 1.142) 5.314 9.949 ( 1.528 -2.323 -2.080) 3.473 10.080 ( -2.361 2.302 2.535) 4.159 10.173 ( 0.406 3.895 -2.742) 4.781 10.481 ( -3.032 -4.047 2.282) 5.548 10.605 ( 4.939 -4.171 -0.850) 6.520 11.074 ( -6.025 -2.451 5.818) 8.727 11.367 ( 8.079 -3.136 -3.662) 9.408 11.405 ( 0.893 1.429 5.507) 5.760 11.499 ( -1.291 -5.039 4.062) 6.600 11.647 ( 1.167 4.375 -1.008) 4.639 11.676 ( 0.532 8.539 -6.009) 10.455 12.268 ( 4.648 0.522 2.561) 5.332 12.342 ( -6.061 -1.653 -6.059) 8.728 12.466 ( 0.523 1.545 4.378) 4.672 12.555 ( -0.738 3.310 -0.687) 3.460 12.644 ( -4.815 -8.052 -2.936) 9.830 12.706 ( 3.864 -8.148 -1.084) 9.083 13.368 ( -1.181 -2.698 4.928) 5.741 13.523 ( -1.868 -0.127 -4.062) 4.472 13.679 ( 4.939 7.116 2.978) 9.160 13.766 ( -1.568 7.268 -5.193) 9.069 14.461 ( 5.439 -5.104 10.031) 12.500 14.655 ( -2.608 -0.554 -4.663) 5.371 15.138 ( -4.433 7.430 1.858) 8.849 15.229 ( 1.137 6.570 -1.724) 6.887 15.435 ( -2.834 0.830 -0.396) 2.979 15.548 ( 1.109 -3.515 -3.342) 4.976 16.067 ( -2.820 6.725 4.574) 8.608 16.270 ( 3.940 3.957 -3.716) 6.707 16.356 ( 1.898 -2.116 8.215) 8.693 16.648 ( -3.250 -1.354 -12.236) 12.733 17.153 ( 1.820 2.817 1.839) 3.825 17.197 ( -2.307 2.314 -3.433) 4.739 17.445 ( 1.617 0.682 3.582) 3.989 17.520 ( -1.273 1.630 -1.232) 2.407 20.123 ( 0.130 5.013 2.263) 5.502 20.196 ( 2.846 0.854 -2.513) 3.891 20.539 ( -2.259 -5.946 1.185) 6.471 20.638 ( 2.514 -10.719 -2.719) 11.340 22.443 ( -3.549 12.787 5.414) 14.333 22.690 ( 4.132 11.165 -4.901) 12.874 22.935 ( -5.076 -7.098 4.294) 9.725 23.144 ( 2.876 -8.920 -4.042) 10.207 27.759 ( 1.412 22.639 5.865) 23.429 27.995 ( -5.266 21.060 -11.920) 24.766 28.638 ( -6.151 -22.505 -0.160) 23.331 28.756 ( 9.758 -19.866 1.045) 22.158 30.935 ( -1.628 6.981 1.993) 7.441 31.054 ( 0.131 8.137 -3.539) 8.874 31.200 ( -9.636 -0.600 4.620) 10.703 31.435 ( 3.637 -6.792 0.748) 7.740 31.526 ( 3.448 -1.803 3.027) 4.930 31.646 ( -1.035 0.078 -2.451) 2.661 31.675 ( -2.311 1.404 0.173) 2.710 32.188 ( 18.550 2.644 -11.778) 22.132 33.122 ( 3.700 4.428 4.290) 7.191 33.233 ( 0.248 7.023 -2.533) 7.470 33.464 ( -1.263 -2.203 2.158) 3.333 33.605 ( 1.221 -5.780 -5.596) 8.137 35.463 ( -1.421 1.158 2.193) 2.858 35.517 ( 0.603 1.319 -0.357) 1.493 35.772 ( -3.742 2.617 7.269) 8.584 36.004 ( 0.872 -0.713 -3.260) 3.449 36.390 ( -5.751 -1.549 4.772) 7.632 36.537 ( -2.189 0.808 3.832) 4.486 37.450 ( -14.834 0.777 2.197) 15.016 37.899 ( 14.972 -11.452 -5.972) 19.773 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 15.595 0.000 -13.669) 20.738 2.160 ( 11.311 0.000 -7.890) 13.790 2.262 ( -9.749 -0.000 8.815) 13.144 2.391 ( 12.018 0.000 -7.051) 13.934 2.607 ( -19.732 -0.000 -4.803) 20.308 2.703 ( 5.538 0.000 -0.924) 5.615 2.880 ( 11.311 0.000 -8.108) 13.917 2.961 ( -1.762 -0.000 -2.600) 3.141 3.129 ( 4.919 0.000 -7.001) 8.556 3.185 ( -11.503 -0.000 -8.528) 14.319 3.487 ( 3.021 0.000 3.827) 4.876 3.600 ( -1.922 -0.000 0.541) 1.997 3.808 ( 2.037 0.000 8.047) 8.301 3.842 ( 0.945 0.000 0.243) 0.976 4.120 ( -7.878 -0.000 5.589) 9.659 4.363 ( 9.825 0.000 2.621) 10.169 4.405 ( -6.181 -0.000 6.209) 8.761 4.816 ( -0.832 -0.000 1.227) 1.483 4.987 ( -5.035 -0.000 -2.701) 5.714 4.994 ( 2.872 0.000 -0.427) 2.904 5.052 ( -1.662 -0.000 6.525) 6.733 5.328 ( -8.573 -0.000 -4.193) 9.544 5.514 ( 1.826 0.000 -3.188) 3.674 5.748 ( 0.734 0.000 1.862) 2.001 5.866 ( 10.947 0.000 -1.128) 11.005 5.889 ( 4.648 0.000 8.568) 9.748 6.203 ( -0.775 -0.000 3.727) 3.806 6.249 ( 1.703 0.000 -2.812) 3.288 6.596 ( -0.126 -0.000 2.788) 2.791 6.625 ( -0.216 -0.000 2.399) 2.409 7.860 ( -0.616 -0.000 -5.083) 5.120 8.165 ( -3.033 -0.000 0.375) 3.056 8.209 ( -4.356 -0.000 -0.183) 4.360 8.332 ( -2.785 -0.000 -6.543) 7.110 8.866 ( 5.122 0.000 9.744) 11.008 9.014 ( 0.159 0.000 3.887) 3.891 9.276 ( 1.202 0.000 -0.405) 1.269 9.383 ( 0.165 0.000 -4.165) 4.168 9.505 ( 0.882 0.000 -4.603) 4.686 9.534 ( 3.092 0.000 4.796) 5.706 9.824 ( 2.770 0.000 2.726) 3.887 9.929 ( -1.198 -0.000 -7.435) 7.531 10.213 ( -6.269 -0.000 -10.184) 11.959 10.300 ( -1.145 -0.000 -0.860) 1.432 10.770 ( -4.829 -0.000 4.094) 6.331 10.995 ( 5.684 0.000 -5.577) 7.963 11.116 ( -0.102 -0.000 -0.949) 0.955 11.159 ( -5.035 -0.000 7.324) 8.888 11.431 ( 0.390 0.000 -0.441) 0.588 11.658 ( 5.294 0.000 1.405) 5.477 11.884 ( -8.949 -0.000 -8.822) 12.567 11.959 ( -5.299 -0.000 -2.436) 5.832 12.201 ( 15.363 0.000 10.422) 18.565 12.330 ( 5.377 0.000 3.780) 6.573 12.454 ( -2.912 -0.000 2.636) 3.928 12.521 ( 10.771 0.000 -4.114) 11.530 12.836 ( -2.927 -0.000 2.357) 3.758 12.871 ( -3.252 -0.000 -7.794) 8.446 13.343 ( -2.137 -0.000 0.142) 2.141 13.485 ( 0.210 0.000 5.515) 5.519 13.570 ( -2.806 -0.000 -4.259) 5.100 13.725 ( -2.163 -0.000 -1.145) 2.447 14.340 ( 15.222 0.000 12.348) 19.601 14.462 ( 0.023 0.000 -0.982) 0.982 14.513 ( -0.902 -0.000 -0.891) 1.268 14.976 ( -0.401 -0.000 7.588) 7.599 15.007 ( 0.649 0.000 -0.555) 0.854 15.223 ( 2.198 0.000 -2.334) 3.206 15.759 ( -2.942 -0.000 -10.279) 10.691 16.413 ( -2.958 -0.000 -7.013) 7.611 16.642 ( 2.450 0.000 5.790) 6.287 16.698 ( 3.228 0.000 3.809) 4.993 16.914 ( -0.633 -0.000 1.837) 1.943 16.982 ( 0.503 0.000 0.099) 0.513 17.206 ( 0.991 0.000 0.592) 1.154 17.566 ( -1.297 -0.000 -1.051) 1.669 19.803 ( -0.392 -0.000 -6.099) 6.112 20.085 ( -6.496 -0.000 -4.754) 8.049 20.977 ( -2.242 -0.000 0.707) 2.351 20.984 ( 0.052 0.000 -1.702) 1.703 22.012 ( -0.761 -0.000 6.326) 6.372 22.325 ( 2.619 0.000 -2.418) 3.564 23.308 ( -2.073 -0.000 3.284) 3.884 23.455 ( 2.030 0.000 -3.304) 3.878 26.963 ( 0.080 0.000 0.016) 0.081 26.966 ( -0.124 -0.000 0.143) 0.189 29.405 ( 0.390 0.000 -1.203) 1.265 29.633 ( 1.732 0.000 -3.174) 3.615 30.284 ( 5.783 0.000 5.683) 8.108 30.705 ( -0.205 -0.000 2.502) 2.510 30.734 ( -2.442 -0.000 3.737) 4.464 31.218 ( 0.118 0.000 -3.359) 3.361 31.428 ( -3.312 -0.000 1.669) 3.709 32.000 ( 1.189 0.000 -1.389) 1.829 32.173 ( -0.366 -0.000 -2.930) 2.953 32.396 ( 6.087 0.000 -7.364) 9.554 32.719 ( 4.541 0.000 -1.747) 4.866 33.300 ( 13.447 0.000 -36.030) 38.457 33.582 ( -5.873 -0.000 8.542) 10.366 33.857 ( 10.659 0.000 -8.296) 13.507 35.349 ( -1.038 -0.000 2.466) 2.676 35.489 ( 0.985 0.000 -1.901) 2.141 35.719 ( -4.773 -0.000 5.547) 7.318 35.862 ( 4.665 0.000 -4.303) 6.347 36.229 ( -1.786 -0.000 -1.878) 2.592 36.309 ( -10.661 -0.000 2.440) 10.937 37.264 ( -9.653 -0.000 33.415) 34.781 38.952 ( -0.544 -0.000 -4.176) 4.211 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 8.783 -6.651 -10.006) 14.883 1.949 ( -16.458 15.805 1.420) 22.862 2.184 ( -2.864 0.450 -11.963) 12.310 2.338 ( 7.477 -6.046 -14.060) 17.034 2.594 ( -3.436 -1.214 2.688) 4.528 2.822 ( 7.233 -6.323 -2.371) 9.895 2.884 ( 1.429 -2.560 -4.426) 5.309 3.060 ( 2.336 -1.658 -5.738) 6.413 3.148 ( -4.153 -10.936 -1.341) 11.775 3.291 ( 5.883 -16.275 -1.001) 17.334 3.518 ( 3.794 3.538 2.542) 5.777 3.589 ( -1.447 -0.490 1.664) 2.259 3.804 ( 4.005 3.153 2.777) 5.804 3.884 ( -2.188 -1.978 1.779) 3.445 4.139 ( 1.805 0.982 8.023) 8.282 4.409 ( -4.773 -1.843 5.192) 7.289 4.466 ( 6.643 -1.851 2.462) 7.322 4.762 ( -9.673 3.989 -0.502) 10.475 4.824 ( -1.115 5.642 -1.705) 5.999 5.042 ( -2.447 -0.407 2.791) 3.734 5.132 ( 1.380 -5.519 3.263) 6.558 5.245 ( -1.211 3.670 -2.413) 4.556 5.577 ( 4.337 -5.838 -2.787) 7.788 5.699 ( -5.802 2.770 -0.901) 6.492 5.918 ( 8.128 4.022 -0.187) 9.070 5.980 ( -1.026 -1.226 3.273) 3.643 6.175 ( -3.011 2.488 3.372) 5.160 6.219 ( 5.233 3.450 0.619) 6.299 6.561 ( -1.823 5.127 2.269) 5.895 6.611 ( 0.545 1.473 2.317) 2.799 7.804 ( -0.432 1.831 -3.383) 3.871 8.102 ( -5.914 0.995 -1.658) 6.223 8.166 ( 1.582 3.555 -0.437) 3.916 8.279 ( -1.327 0.792 -6.100) 6.293 8.928 ( 3.676 1.914 7.265) 8.364 9.072 ( 1.535 1.323 2.654) 3.339 9.279 ( 1.405 -0.452 3.856) 4.129 9.364 ( -1.292 -1.496 -1.010) 2.219 9.445 ( -0.943 0.918 -6.560) 6.691 9.622 ( -0.894 -1.258 2.606) 3.028 9.846 ( 2.272 0.436 -1.282) 2.644 9.882 ( 2.418 -0.170 -1.852) 3.050 10.120 ( -6.698 -1.873 -9.013) 11.385 10.311 ( 0.399 -1.908 -1.523) 2.473 10.669 ( -5.983 6.003 1.118) 8.549 10.935 ( 1.896 5.845 -7.765) 9.902 11.101 ( -3.254 1.948 3.486) 5.152 11.193 ( -1.849 -3.135 4.432) 5.735 11.417 ( -1.697 0.208 -3.175) 3.605 11.664 ( -4.268 6.555 -9.792) 12.533 11.746 ( 5.519 -1.774 1.945) 6.115 11.954 ( -6.330 -4.176 -2.810) 8.087 12.265 ( 3.765 8.009 4.226) 9.807 12.330 ( 11.642 5.087 5.818) 13.974 12.488 ( 2.424 6.000 0.963) 6.542 12.605 ( -0.509 -2.894 1.373) 3.244 12.730 ( 7.071 4.460 -0.665) 8.386 12.820 ( -1.212 0.788 1.339) 1.970 13.295 ( -2.976 2.160 2.119) 4.244 13.500 ( -0.143 -1.425 2.247) 2.665 13.620 ( 0.936 1.166 -1.561) 2.162 13.749 ( -5.026 -10.622 -1.607) 11.860 14.372 ( 8.255 4.895 5.318) 10.972 14.552 ( 0.802 -5.476 -2.264) 5.980 14.824 ( 6.960 -14.957 7.468) 18.109 15.008 ( -4.296 -9.366 2.945) 10.717 15.170 ( 5.495 -8.408 7.504) 12.538 15.241 ( 1.175 -4.433 0.132) 4.588 15.759 ( -2.027 -7.313 -9.666) 12.289 16.312 ( -4.102 1.631 -9.360) 10.348 16.610 ( 2.588 6.514 4.561) 8.363 16.659 ( 0.777 8.313 3.816) 9.180 16.944 ( 1.569 -3.215 2.184) 4.192 17.048 ( -0.321 -4.611 -0.037) 4.622 17.289 ( 1.856 -5.486 1.253) 5.925 17.543 ( -3.007 -0.565 -2.042) 3.678 19.817 ( 1.812 -4.653 -5.807) 7.658 19.974 ( -6.616 1.854 -6.609) 9.533 20.876 ( -2.358 7.669 1.505) 8.164 20.951 ( 1.071 4.217 -2.291) 4.917 22.118 ( -0.586 -7.902 6.677) 10.362 22.392 ( 1.689 -6.762 -2.832) 7.523 23.242 ( -3.205 6.769 3.592) 8.306 23.415 ( 1.970 3.862 -3.911) 5.839 27.085 ( 1.627 -12.809 0.047) 12.912 27.102 ( -2.149 -14.438 1.125) 14.640 29.238 ( 2.605 16.554 0.970) 16.786 29.538 ( -1.161 9.187 -5.642) 10.843 30.532 ( 8.471 -13.377 10.597) 19.053 30.752 ( -0.348 -3.055 3.778) 4.871 30.771 ( -0.210 -3.422 3.141) 4.650 31.253 ( 2.033 -4.326 -1.834) 5.119 31.438 ( -2.971 -2.479 1.400) 4.115 31.922 ( 1.207 7.490 -0.713) 7.620 32.031 ( 0.475 10.300 -4.545) 11.268 32.473 ( 4.306 -6.919 -11.662) 14.227 32.825 ( 3.450 -7.873 -3.596) 9.317 33.153 ( 4.816 1.919 -30.590) 31.026 33.563 ( -5.386 2.396 8.414) 10.273 33.863 ( 9.452 3.069 -7.407) 12.394 35.373 ( -0.576 -1.558 2.464) 2.972 35.484 ( 0.472 -0.164 -1.305) 1.397 35.727 ( -6.135 -2.030 5.852) 8.718 35.910 ( 3.569 -3.024 -3.925) 6.107 36.222 ( 0.046 -0.674 -0.482) 0.830 36.278 ( -5.769 -3.745 0.269) 6.883 37.361 ( -5.316 4.627 34.636) 35.346 38.779 ( -3.300 12.072 -9.862) 15.933 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -9.789 -3.303 0.510) 10.344 1.887 ( -2.928 -7.291 -6.792) 10.386 2.124 ( -4.267 -4.728 -11.243) 12.921 2.306 ( 6.438 1.762 -14.017) 15.526 2.735 ( -3.731 -1.797 3.056) 5.147 2.853 ( -1.434 2.020 0.234) 2.488 2.984 ( 7.576 -9.174 0.833) 11.927 3.170 ( -2.520 -15.844 -4.627) 16.697 3.370 ( 10.327 -5.512 3.781) 12.301 3.469 ( 0.922 1.889 0.539) 2.170 3.588 ( -6.563 -7.258 -5.282) 11.120 3.598 ( 7.548 -3.369 2.292) 8.578 3.816 ( 4.669 1.424 2.511) 5.489 3.890 ( -1.846 -1.615 -3.052) 3.915 4.172 ( 3.021 2.328 7.457) 8.376 4.420 ( -6.085 0.132 -1.468) 6.261 4.522 ( -7.590 -1.084 2.907) 8.200 4.618 ( 1.474 0.632 -2.065) 2.615 4.796 ( 4.121 1.020 6.337) 7.627 5.054 ( -0.450 -1.033 -1.791) 2.116 5.158 ( 2.589 4.494 1.119) 5.305 5.225 ( -2.312 -2.738 0.981) 3.715 5.537 ( -2.944 7.114 0.559) 7.719 5.740 ( 2.014 -4.021 -3.196) 5.518 5.811 ( 0.183 6.578 -0.054) 6.581 5.919 ( -1.300 5.751 4.205) 7.242 6.148 ( -3.675 0.434 -3.377) 5.010 6.233 ( 4.411 0.693 -0.462) 4.489 6.471 ( -1.309 4.778 6.924) 8.514 6.603 ( 0.480 1.228 0.429) 1.387 7.776 ( 1.469 0.449 0.159) 1.544 8.017 ( -5.698 1.336 -5.491) 8.025 8.128 ( 3.326 2.619 2.036) 4.698 8.258 ( 2.787 -1.439 -2.099) 3.774 8.946 ( -1.462 0.672 2.467) 2.945 9.013 ( 1.364 4.881 0.964) 5.158 9.273 ( -4.305 -0.133 -2.569) 5.015 9.333 ( -1.498 1.371 -7.022) 7.310 9.487 ( 3.367 -0.834 6.738) 7.579 9.592 ( -1.570 2.340 1.234) 3.076 9.838 ( -4.542 -3.996 -4.970) 7.829 9.922 ( 6.917 3.782 -3.175) 8.499 10.130 ( 1.849 -5.603 4.116) 7.194 10.337 ( -2.090 -1.907 -0.781) 2.936 10.510 ( -4.604 7.831 1.980) 9.297 10.759 ( 0.079 8.731 -7.986) 11.833 11.062 ( -3.194 1.796 4.483) 5.790 11.236 ( -2.413 0.083 -0.409) 2.449 11.356 ( -3.668 -0.581 -3.484) 5.092 11.518 ( 2.127 2.576 -6.457) 7.270 11.851 ( 4.269 -2.528 3.220) 5.915 11.976 ( -5.314 -3.560 -4.630) 7.897 12.171 ( -0.040 2.575 4.541) 5.220 12.302 ( 5.717 7.383 0.490) 9.350 12.421 ( 2.060 4.073 1.210) 4.722 12.481 ( -0.001 7.542 -0.242) 7.546 12.789 ( 2.467 3.285 2.045) 4.590 12.844 ( -0.179 -2.530 1.465) 2.930 13.276 ( -2.080 -0.114 2.684) 3.398 13.484 ( 0.279 1.881 -3.791) 4.241 13.693 ( 7.004 -5.747 8.458) 12.394 13.886 ( -6.160 -7.727 -1.468) 9.990 14.394 ( 7.907 1.274 2.093) 8.278 14.528 ( -2.579 5.328 -4.915) 7.694 15.045 ( -0.129 -8.882 4.831) 10.111 15.168 ( -2.144 -5.986 -1.069) 6.447 15.396 ( 1.048 -10.690 5.372) 12.010 15.512 ( 6.998 -10.131 6.620) 13.980 15.837 ( -1.020 -6.754 -3.822) 7.827 16.214 ( -4.471 -0.658 -9.273) 10.315 16.541 ( -1.830 4.094 3.130) 5.469 16.578 ( 7.020 3.651 3.570) 8.681 17.025 ( 0.726 -3.307 1.084) 3.555 17.133 ( 0.384 -5.540 -1.442) 5.737 17.381 ( 0.831 -2.038 1.670) 2.762 17.527 ( -2.942 -1.577 -1.959) 3.870 19.894 ( -3.363 -2.559 -4.867) 6.446 19.926 ( 3.300 -8.116 -5.968) 10.601 20.710 ( -2.462 9.684 2.889) 10.401 20.840 ( 1.859 7.467 -2.763) 8.176 22.331 ( -0.709 -11.519 6.223) 13.111 22.537 ( 1.353 -9.501 -3.128) 10.094 23.089 ( -4.158 8.856 4.623) 10.821 23.307 ( 2.239 7.317 -4.396) 8.825 27.403 ( -4.934 -20.958 1.609) 21.591 27.433 ( 6.539 -21.178 0.728) 22.177 28.934 ( 3.694 20.956 3.478) 21.562 29.236 ( -4.313 16.709 -9.380) 19.641 30.823 ( 1.477 -5.209 4.858) 7.274 30.876 ( 1.686 -5.870 3.391) 6.986 30.942 ( 4.407 -14.377 10.293) 18.222 31.342 ( 1.258 -3.659 -0.944) 3.982 31.470 ( -1.423 -1.725 1.159) 2.518 31.778 ( -0.151 8.579 -2.369) 8.901 31.843 ( 2.903 8.112 -0.376) 8.625 32.473 ( 2.715 -0.200 -26.160) 26.301 32.957 ( 1.950 -6.521 -5.835) 8.965 33.063 ( -2.779 -6.380 -9.294) 11.611 33.515 ( -4.118 3.840 7.932) 9.727 33.813 ( 7.035 5.564 -5.327) 10.432 35.414 ( -0.556 -1.951 2.340) 3.097 35.493 ( -0.070 -1.255 -0.934) 1.566 35.760 ( -6.749 -3.016 6.739) 10.003 35.943 ( 0.410 -1.007 -2.108) 2.371 36.245 ( -0.120 -1.546 1.366) 2.066 36.371 ( 2.103 -8.158 -3.020) 8.949 37.403 ( -2.821 6.878 29.728) 30.644 38.417 ( -2.133 17.036 -14.311) 22.352 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -2.116 -16.209 1.451) 16.410 1.978 ( -6.910 -11.336 -5.175) 14.249 2.206 ( -0.324 -12.751 -9.147) 15.696 2.317 ( 6.536 -3.683 -6.404) 9.864 2.693 ( -7.627 -1.498 2.176) 8.072 2.771 ( 6.533 6.577 4.092) 10.133 3.199 ( -2.570 -6.728 1.253) 7.310 3.327 ( -1.503 -1.004 -0.385) 1.848 3.419 ( 5.091 0.690 -0.939) 5.223 3.540 ( 0.615 3.302 -2.700) 4.309 3.607 ( -0.580 -2.070 2.468) 3.273 3.615 ( -3.304 -0.377 -4.568) 5.650 3.800 ( 0.205 4.448 0.119) 4.455 3.940 ( 6.461 -3.841 -4.888) 8.966 4.195 ( 5.042 2.484 7.902) 9.697 4.293 ( -7.984 2.726 -4.443) 9.535 4.496 ( -6.422 -1.701 3.706) 7.608 4.673 ( 5.498 -0.822 -2.599) 6.136 4.839 ( -2.291 1.603 4.826) 5.577 5.044 ( 8.227 3.407 -0.713) 8.933 5.181 ( 4.360 -0.678 1.577) 4.685 5.218 ( -2.834 -1.465 -2.719) 4.192 5.465 ( 1.335 -0.932 5.183) 5.433 5.595 ( -1.493 7.349 -2.691) 7.967 5.843 ( -0.219 0.833 3.789) 3.886 5.927 ( -2.843 -4.589 5.555) 7.745 6.031 ( -4.169 3.724 -5.764) 8.029 6.240 ( 1.235 -1.008 -7.067) 7.245 6.429 ( -1.543 4.243 7.434) 8.698 6.575 ( 1.264 2.603 -0.614) 2.958 7.807 ( 2.210 -0.529 2.073) 3.076 7.925 ( -4.486 -0.020 -7.904) 9.089 8.162 ( 1.363 -2.210 5.998) 6.536 8.324 ( 4.223 -2.304 -0.708) 4.862 8.922 ( -4.900 -1.266 -1.637) 5.319 8.977 ( 5.126 1.454 0.499) 5.351 9.198 ( -4.600 2.059 -0.847) 5.111 9.305 ( 3.064 0.152 -3.536) 4.681 9.516 ( 1.904 2.551 0.854) 3.296 9.529 ( -0.035 3.062 0.857) 3.180 9.844 ( -6.779 -1.816 -2.891) 7.591 9.859 ( 0.738 2.540 -0.846) 2.777 10.292 ( 6.912 -0.640 6.241) 9.335 10.336 ( -6.204 -1.649 -0.949) 6.489 10.371 ( -2.877 4.580 2.185) 5.834 10.578 ( 2.283 6.063 -5.247) 8.337 11.033 ( -2.681 1.520 4.940) 5.823 11.206 ( -0.983 -2.834 -3.199) 4.385 11.380 ( -1.257 -2.627 0.952) 3.064 11.473 ( 2.214 1.912 -2.747) 4.013 11.853 ( -6.287 5.633 -0.424) 8.452 11.936 ( 3.417 1.890 -0.660) 3.961 12.260 ( -2.436 -6.066 -0.715) 6.576 12.292 ( 5.297 -5.898 2.117) 8.206 12.322 ( -0.897 4.195 0.001) 4.290 12.417 ( 3.756 3.384 -1.406) 5.247 12.727 ( 0.426 6.489 2.689) 7.037 12.807 ( -1.738 5.023 -1.623) 5.558 13.285 ( -1.630 -1.309 4.048) 4.556 13.478 ( 1.786 -2.020 -4.396) 5.157 13.871 ( -2.098 0.525 2.910) 3.626 13.931 ( 3.824 -3.443 3.260) 6.091 14.349 ( -5.103 4.917 -1.314) 7.207 14.484 ( 4.992 -4.396 -2.878) 7.248 15.185 ( -3.929 -5.575 3.137) 7.507 15.266 ( 2.141 -5.906 1.025) 6.365 15.510 ( -3.035 -0.109 0.303) 3.052 15.587 ( 4.313 6.892 -0.199) 8.133 15.988 ( 2.204 -9.241 6.161) 11.323 16.185 ( -4.957 -4.516 -6.983) 9.681 16.475 ( -4.685 2.414 0.678) 5.314 16.636 ( 11.253 1.370 0.299) 11.340 17.103 ( 0.630 -4.260 1.926) 4.717 17.214 ( 1.012 -3.456 -4.715) 5.933 17.412 ( 0.037 -0.593 4.943) 4.978 17.520 ( -2.737 -1.029 -2.379) 3.769 19.957 ( -0.809 -8.071 -1.172) 8.196 20.086 ( 4.385 -9.162 -6.439) 12.026 20.546 ( -1.845 8.063 4.110) 9.236 20.693 ( 1.236 8.320 -3.231) 9.011 22.553 ( -2.370 -10.617 4.574) 11.801 22.692 ( 1.350 -6.633 -1.730) 6.987 22.946 ( -2.376 5.701 4.171) 7.453 23.145 ( 2.275 9.919 -4.449) 11.107 27.757 ( -6.958 -22.865 0.666) 23.910 27.921 ( 13.538 -22.581 1.979) 26.403 28.598 ( 3.367 22.438 5.761) 23.409 28.806 ( -6.671 19.095 -11.653) 23.344 30.956 ( -0.943 -7.132 3.706) 8.092 31.019 ( 1.743 -6.213 2.378) 6.877 31.194 ( -1.340 -3.814 5.701) 6.989 31.374 ( 2.778 1.939 -0.761) 3.472 31.480 ( -1.053 -0.888 1.405) 1.967 31.618 ( -2.300 3.919 -2.512) 5.192 31.808 ( 5.648 2.651 2.911) 6.885 32.290 ( 2.180 2.764 -25.667) 25.907 33.047 ( -2.510 -6.352 0.253) 6.834 33.182 ( 0.911 -9.248 -4.961) 10.534 33.458 ( -2.959 3.862 7.151) 8.649 33.714 ( 4.280 7.375 -3.990) 9.414 35.454 ( -1.309 -1.543 2.414) 3.149 35.513 ( 0.068 -1.422 -0.919) 1.694 35.797 ( -5.618 -1.780 7.389) 9.451 35.950 ( 0.126 -1.131 -1.549) 1.922 36.287 ( -2.473 -2.539 3.683) 5.112 36.507 ( 2.161 -4.920 -0.706) 5.420 37.440 ( 0.873 2.165 17.683) 17.837 38.026 ( -0.371 15.273 -14.765) 21.246 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -7.247 -8.940 -2.864) 11.859 2.131 ( -0.425 -8.056 -4.560) 9.267 2.347 ( -0.117 -0.775 -0.277) 0.832 2.405 ( 2.955 -6.409 -0.440) 7.071 2.798 ( 2.402 -2.772 5.299) 6.445 2.874 ( 2.442 -16.827 -1.468) 17.067 3.162 ( -7.217 9.132 -6.981) 13.573 3.203 ( 0.952 12.126 5.324) 13.278 3.358 ( -1.352 1.268 -8.401) 8.603 3.443 ( -4.798 1.920 -2.246) 5.635 3.533 ( 3.931 5.245 4.004) 7.680 3.603 ( 6.257 6.635 0.172) 9.122 3.732 ( 0.172 2.156 -0.887) 2.338 3.966 ( 2.124 3.165 -3.021) 4.863 4.197 ( 0.898 1.657 -4.045) 4.463 4.257 ( 3.630 1.376 8.232) 9.102 4.558 ( -4.365 -5.583 5.111) 8.738 4.675 ( 4.225 -0.022 -2.253) 4.789 4.830 ( -1.323 -1.615 -0.965) 2.300 5.024 ( 3.384 2.672 0.700) 4.369 5.170 ( -2.134 -0.066 -3.817) 4.373 5.284 ( 8.165 -1.401 0.793) 8.322 5.460 ( -7.928 -0.424 -0.003) 7.939 5.651 ( 3.666 -5.530 2.912) 7.245 5.785 ( -4.675 2.440 0.476) 5.295 5.928 ( -1.847 3.387 4.058) 5.599 6.041 ( -2.433 -6.003 0.024) 6.477 6.224 ( 0.632 -1.154 -5.055) 5.224 6.379 ( -0.186 4.318 5.394) 6.913 6.519 ( 2.625 4.557 -1.541) 5.481 7.807 ( -5.122 -1.341 -3.260) 6.218 7.883 ( -0.255 -0.327 -1.448) 1.507 8.231 ( -4.748 -2.351 -1.080) 5.407 8.408 ( 9.356 -1.754 4.612) 10.577 8.899 ( -4.380 -1.548 -3.224) 5.654 9.047 ( 3.599 -2.225 1.730) 4.571 9.159 ( 0.598 -0.219 3.019) 3.085 9.324 ( 6.753 -0.208 -1.985) 7.042 9.443 ( -1.531 2.084 -0.545) 2.643 9.529 ( 1.347 0.730 -1.656) 2.256 9.808 ( -0.988 2.884 2.799) 4.139 9.842 ( -4.303 -5.175 1.169) 6.831 10.193 ( -4.454 8.721 -7.185) 12.146 10.276 ( 2.780 5.754 2.291) 6.789 10.374 ( -4.006 -4.876 1.969) 6.610 10.588 ( 5.036 -2.313 -0.930) 5.619 11.038 ( -3.792 -0.835 6.053) 7.191 11.294 ( 3.768 -6.620 -1.814) 7.831 11.420 ( -1.431 -3.198 1.244) 3.718 11.472 ( 4.184 0.484 1.078) 4.347 11.670 ( -8.183 5.689 -3.720) 10.638 11.877 ( 6.030 8.056 -0.057) 10.063 12.273 ( -2.115 1.800 -1.560) 3.185 12.326 ( 0.678 -2.114 1.523) 2.693 12.414 ( -1.743 -5.437 -4.266) 7.127 12.531 ( 6.602 -8.961 4.098) 11.860 12.608 ( -1.850 4.058 0.284) 4.469 12.671 ( 0.199 8.000 -0.447) 8.015 13.341 ( -1.360 -2.585 5.240) 5.999 13.491 ( 0.889 -0.277 -4.389) 4.487 13.802 ( -1.131 3.746 0.639) 3.964 13.892 ( -0.563 8.144 -3.820) 9.013 14.367 ( -5.342 -8.363 2.560) 10.248 14.577 ( 3.509 -3.222 -2.469) 5.365 15.213 ( -4.257 2.661 3.337) 6.029 15.351 ( -1.801 0.716 -1.438) 2.413 15.449 ( 1.058 1.907 -1.994) 2.955 15.498 ( 5.452 2.591 3.919) 7.197 16.144 ( -3.411 0.442 1.352) 3.696 16.219 ( 0.456 -6.358 1.807) 6.625 16.392 ( -6.045 -0.293 -3.586) 7.035 16.649 ( 9.614 6.150 -1.851) 11.563 17.173 ( -1.696 -1.202 -2.926) 3.590 17.212 ( 1.843 0.834 1.113) 2.309 17.471 ( 0.646 -1.312 3.264) 3.577 17.499 ( -2.179 -0.748 -1.009) 2.515 20.124 ( 1.141 -8.968 0.570) 9.058 20.180 ( 1.093 -0.496 -3.529) 3.727 20.502 ( 1.695 -2.293 1.889) 3.420 20.540 ( -0.580 5.365 -3.282) 6.316 22.652 ( -2.650 7.038 4.132) 8.581 22.735 ( -1.361 -5.352 3.016) 6.292 22.950 ( 1.947 10.010 -2.441) 10.485 22.985 ( 1.684 -7.919 -2.669) 8.525 28.081 ( -4.387 -10.998 0.428) 11.849 28.244 ( 0.951 15.817 -0.847) 15.869 28.307 ( -2.651 8.534 1.310) 9.032 28.512 ( 10.654 -14.229 -2.802) 17.996 31.044 ( -4.324 3.600 2.403) 6.118 31.089 ( -1.678 -3.696 2.952) 5.020 31.214 ( -1.037 6.809 -0.872) 6.943 31.300 ( 0.589 -5.502 -3.103) 6.344 31.499 ( -2.692 -2.639 0.014) 3.770 31.622 ( 0.215 -0.314 3.225) 3.247 31.743 ( -3.574 5.495 -4.150) 7.758 32.255 ( 16.731 -3.198 -12.182) 20.942 33.147 ( -1.347 -5.069 3.642) 6.386 33.270 ( 0.693 -0.987 -4.980) 5.124 33.453 ( 0.090 -2.023 4.889) 5.292 33.580 ( 1.028 6.672 -4.122) 7.910 35.469 ( -2.067 -0.238 1.877) 2.802 35.529 ( 0.474 -0.353 -0.510) 0.780 35.815 ( -4.124 0.456 7.895) 8.919 35.970 ( 0.657 -1.633 -1.761) 2.490 36.330 ( -5.332 -2.449 5.281) 7.894 36.556 ( -1.727 0.034 3.800) 4.174 37.466 ( -3.333 6.092 1.661) 7.139 37.818 ( 7.895 -2.145 -7.537) 11.124 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -0.391 -0.000 -4.751) 4.767 1.934 ( -33.051 -0.000 -6.472) 33.679 2.172 ( 4.670 0.000 -3.866) 6.062 2.195 ( 10.564 0.000 -19.382) 22.074 2.726 ( -15.490 -0.000 -6.049) 16.630 2.744 ( 13.487 0.000 3.980) 14.062 2.780 ( -1.911 -0.000 0.732) 2.047 2.918 ( 3.050 0.000 -3.580) 4.704 3.001 ( -6.478 -0.000 0.221) 6.482 3.212 ( 14.662 0.000 -7.849) 16.630 3.589 ( 0.406 0.000 0.712) 0.819 3.666 ( 10.541 0.000 2.944) 10.944 3.787 ( -4.444 -0.000 3.737) 5.806 3.934 ( 2.767 0.000 4.604) 5.372 4.254 ( 4.971 0.000 8.519) 9.863 4.385 ( -2.048 -0.000 7.591) 7.863 4.485 ( -1.275 -0.000 -0.682) 1.446 4.693 ( -11.074 -0.000 -4.068) 11.798 4.921 ( 4.989 0.000 1.524) 5.217 4.995 ( -1.419 -0.000 -1.692) 2.208 5.126 ( 1.044 0.000 7.548) 7.620 5.272 ( -0.218 -0.000 -1.712) 1.726 5.527 ( 5.545 0.000 -1.072) 5.647 5.658 ( -8.670 -0.000 -4.475) 9.757 5.980 ( -3.872 -0.000 5.161) 6.452 6.019 ( 8.266 0.000 -0.275) 8.271 6.217 ( -2.528 -0.000 4.820) 5.443 6.278 ( 4.326 0.000 -0.044) 4.326 6.595 ( -2.249 -0.000 2.089) 3.069 6.644 ( -1.047 -0.000 1.562) 1.880 7.795 ( -0.801 -0.000 -1.856) 2.021 7.990 ( -8.494 -0.000 -7.994) 11.664 8.237 ( 5.967 0.000 0.815) 6.023 8.271 ( -1.537 -0.000 -3.068) 3.432 9.068 ( 0.545 0.000 4.393) 4.427 9.121 ( 10.519 0.000 7.371) 12.845 9.298 ( 1.707 0.000 -0.990) 1.973 9.302 ( -3.766 -0.000 -4.037) 5.521 9.448 ( -1.757 -0.000 2.051) 2.701 9.601 ( -0.359 -0.000 1.745) 1.781 9.772 ( -5.317 -0.000 -7.757) 9.405 9.946 ( -4.716 -0.000 -0.725) 4.772 9.988 ( 3.803 0.000 -3.873) 5.428 10.267 ( -1.593 -0.000 -3.960) 4.268 10.669 ( -6.622 -0.000 0.582) 6.648 10.950 ( 0.393 0.000 -9.038) 9.046 11.162 ( 4.291 0.000 2.983) 5.226 11.169 ( -4.354 -0.000 8.730) 9.755 11.393 ( -1.639 -0.000 -3.346) 3.726 11.641 ( -4.682 -0.000 -9.683) 10.756 11.778 ( 4.114 0.000 1.947) 4.552 11.843 ( -6.365 -0.000 -1.565) 6.555 12.433 ( 4.950 0.000 7.525) 9.007 12.461 ( 2.916 0.000 3.526) 4.575 12.580 ( 2.070 0.000 -0.309) 2.093 12.600 ( 4.532 0.000 -1.349) 4.729 12.821 ( 0.324 0.000 -2.033) 2.059 12.825 ( 6.726 0.000 -1.158) 6.824 13.334 ( -1.136 -0.000 4.152) 4.304 13.469 ( -3.059 -0.000 -1.809) 3.554 13.559 ( 1.229 0.000 4.244) 4.418 13.674 ( -1.726 -0.000 -2.307) 2.881 14.471 ( 2.226 0.000 -0.544) 2.291 14.478 ( -0.689 -0.000 -0.950) 1.174 14.775 ( 11.889 0.000 13.555) 18.030 15.011 ( 0.383 0.000 -0.156) 0.413 15.090 ( 3.114 0.000 10.673) 11.118 15.239 ( 2.526 0.000 -1.372) 2.875 15.636 ( 0.963 0.000 -4.022) 4.136 16.212 ( -6.656 -0.000 -15.314) 16.698 16.725 ( 1.081 0.000 3.476) 3.640 16.772 ( 1.769 0.000 1.770) 2.503 16.935 ( -0.750 -0.000 3.296) 3.380 17.009 ( 1.863 0.000 0.680) 1.983 17.259 ( 2.803 0.000 3.837) 4.752 17.485 ( -5.141 -0.000 -3.970) 6.496 19.772 ( 4.303 0.000 -4.134) 5.967 19.893 ( -7.618 -0.000 -7.901) 10.975 20.944 ( -2.383 -0.000 0.202) 2.392 20.978 ( 1.188 0.000 -0.976) 1.537 22.080 ( -0.221 -0.000 7.067) 7.071 22.317 ( 0.724 0.000 -3.404) 3.480 23.303 ( -2.767 -0.000 2.398) 3.661 23.444 ( 2.067 0.000 -3.614) 4.163 26.966 ( -0.169 -0.000 0.139) 0.219 26.966 ( 0.191 0.000 0.144) 0.239 29.437 ( 2.904 0.000 1.310) 3.186 29.575 ( -3.260 -0.000 -4.477) 5.538 30.534 ( 6.623 0.000 16.781) 18.041 30.753 ( 0.129 0.000 3.293) 3.296 30.758 ( 2.677 0.000 2.493) 3.658 31.223 ( 5.269 0.000 -3.297) 6.215 31.416 ( -0.473 -0.000 3.075) 3.111 31.993 ( 0.925 0.000 -3.467) 3.589 32.116 ( -2.128 -0.000 -3.355) 3.973 32.325 ( 2.098 0.000 -19.375) 19.488 32.762 ( 2.688 0.000 -1.018) 2.874 33.008 ( 0.534 0.000 -32.420) 32.424 33.588 ( -5.133 -0.000 7.654) 9.216 33.920 ( 9.498 0.000 -8.151) 12.516 35.370 ( -0.524 -0.000 2.950) 2.997 35.479 ( 0.336 0.000 -1.802) 1.833 35.690 ( -6.387 -0.000 5.124) 8.188 35.892 ( 5.307 0.000 -3.936) 6.607 36.202 ( -5.778 -0.000 1.632) 6.004 36.226 ( 2.850 0.000 -0.208) 2.857 37.601 ( -0.556 -0.000 40.104) 40.108 38.779 ( -7.647 -0.000 -13.489) 15.506 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -21.940 2.228 -4.451) 22.497 1.687 ( -17.299 -4.254 1.328) 17.864 2.089 ( 9.743 5.078 -11.620) 15.991 2.306 ( 8.929 -0.279 -14.867) 17.344 2.617 ( -14.317 -5.012 2.108) 15.315 2.656 ( -9.062 -6.156 6.146) 12.562 2.860 ( 1.810 -5.199 -3.840) 6.712 3.078 ( 2.889 -0.329 -5.221) 5.976 3.196 ( 8.517 -19.625 1.522) 21.447 3.355 ( 7.807 -10.321 -5.329) 13.995 3.556 ( 0.837 4.600 2.595) 5.348 3.718 ( 4.386 -2.338 -4.541) 6.732 3.830 ( 3.813 3.119 7.180) 8.707 3.913 ( 0.289 3.908 1.995) 4.397 4.261 ( -5.308 1.446 3.783) 6.677 4.401 ( -6.410 1.423 -1.428) 6.720 4.473 ( 1.878 -0.268 9.019) 9.217 4.632 ( 3.682 0.493 -3.546) 5.136 4.905 ( 2.781 3.590 4.021) 6.066 5.002 ( -0.658 -1.325 -3.230) 3.552 5.209 ( 2.365 -1.361 4.933) 5.637 5.249 ( 2.583 1.475 0.239) 2.984 5.529 ( -11.045 -0.049 -2.554) 11.336 5.657 ( 6.091 -5.874 0.153) 8.463 5.915 ( -4.907 5.566 0.157) 7.421 6.025 ( 3.791 4.191 -2.074) 6.020 6.168 ( -3.745 5.432 5.066) 8.318 6.311 ( 3.807 1.020 -0.563) 3.981 6.572 ( -0.620 3.159 4.320) 5.388 6.622 ( -1.091 0.961 1.148) 1.853 7.801 ( 2.613 -0.072 2.504) 3.620 7.899 ( -7.170 -1.265 -8.229) 10.987 8.201 ( -0.730 3.287 -0.559) 3.413 8.289 ( 5.048 0.107 -1.945) 5.411 9.044 ( -0.012 5.592 5.606) 7.918 9.147 ( 4.876 6.292 2.534) 8.354 9.217 ( -4.747 0.900 -4.425) 6.552 9.275 ( -2.433 -1.122 -8.074) 8.506 9.556 ( 7.353 -2.264 11.992) 14.247 9.609 ( -2.125 0.136 1.444) 2.573 9.723 ( -2.808 -2.603 -3.721) 5.340 9.881 ( -6.832 -3.785 -10.730) 13.272 10.102 ( 8.014 -3.276 7.700) 11.587 10.244 ( -4.546 -2.762 -6.203) 8.172 10.600 ( -4.671 4.118 3.201) 7.002 10.847 ( 0.216 5.860 -7.728) 9.701 11.134 ( -0.262 4.008 7.601) 8.597 11.253 ( 1.450 -1.081 5.557) 5.844 11.318 ( -3.017 3.278 -5.389) 6.992 11.530 ( 0.522 2.149 -8.376) 8.663 11.825 ( -6.133 -3.463 -0.958) 7.108 11.849 ( 3.274 -3.081 1.180) 4.648 12.313 ( -3.417 10.413 3.277) 11.439 12.485 ( 3.088 7.956 -2.123) 8.795 12.531 ( -2.289 4.505 -0.418) 5.070 12.585 ( 4.657 2.249 2.104) 5.584 12.825 ( 0.768 0.438 -1.433) 1.684 12.847 ( 4.281 -0.558 -0.736) 4.379 13.306 ( -0.980 2.824 5.622) 6.368 13.494 ( 0.836 -0.358 -3.360) 3.481 13.658 ( 1.736 -6.649 3.431) 7.681 13.685 ( -2.845 -5.560 0.320) 6.253 14.483 ( 3.504 0.997 1.076) 3.799 14.532 ( 0.786 -2.307 -3.848) 4.555 14.951 ( -5.625 -3.837 2.263) 7.175 15.008 ( 5.278 -7.021 3.989) 9.647 15.279 ( 1.342 -7.021 2.659) 7.627 15.371 ( 4.909 -13.284 2.998) 14.476 15.723 ( 5.866 -4.908 5.363) 9.341 16.088 ( -4.867 -3.057 -16.971) 17.918 16.664 ( -0.695 7.252 2.579) 7.728 16.718 ( 2.417 5.742 1.332) 6.371 16.978 ( -0.527 -2.673 2.028) 3.397 17.057 ( 2.027 -3.141 -0.872) 3.838 17.353 ( 1.901 -3.607 4.168) 5.830 17.440 ( -5.316 -2.483 -3.934) 7.064 19.802 ( -4.727 -1.030 -6.065) 7.758 19.828 ( 5.987 -3.561 -3.138) 7.640 20.855 ( -2.420 6.994 1.584) 7.568 20.951 ( 1.941 4.319 -1.696) 5.029 22.191 ( -0.153 -7.491 7.025) 10.271 22.369 ( 0.484 -7.131 -3.906) 8.145 23.225 ( -3.749 6.772 3.352) 8.435 23.407 ( 2.804 4.019 -3.737) 6.163 27.077 ( -1.762 -12.134 0.440) 12.269 27.134 ( 4.511 -17.030 0.276) 17.620 29.314 ( 2.717 15.195 3.335) 15.792 29.414 ( -5.124 11.464 -6.307) 14.052 30.768 ( -1.475 -6.579 5.814) 8.903 30.819 ( 5.597 -7.460 11.644) 14.918 30.826 ( 2.403 -3.463 3.329) 5.371 31.276 ( 4.608 -2.931 -4.261) 6.926 31.466 ( 2.529 -1.796 5.220) 6.072 31.892 ( -0.790 6.840 -11.589) 13.480 31.982 ( -0.920 7.160 -0.205) 7.222 32.273 ( -1.772 -4.647 -28.294) 28.727 32.830 ( 0.579 -5.282 -3.766) 6.513 32.875 ( -4.237 -4.797 -12.312) 13.876 33.575 ( -4.010 1.880 6.638) 7.980 33.916 ( 7.929 3.232 -7.166) 11.165 35.393 ( -0.949 -1.276 2.690) 3.125 35.471 ( -0.060 -0.310 -1.592) 1.623 35.692 ( -6.258 -2.403 5.640) 8.761 35.925 ( 3.558 -0.916 -2.815) 4.629 36.229 ( -0.286 -5.070 -0.204) 5.082 36.260 ( 4.152 -1.070 0.217) 4.293 37.750 ( 1.346 9.755 39.153) 40.372 38.541 ( -6.408 9.696 -17.051) 20.635 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -7.554 -13.676 1.877) 15.736 1.683 ( -18.064 -9.203 3.446) 20.564 2.041 ( 9.109 -0.046 -9.962) 13.499 2.269 ( 5.344 -1.698 -7.366) 9.258 2.574 ( -17.365 -3.935 4.339) 18.326 2.823 ( -7.312 -11.321 0.749) 13.498 3.032 ( 2.837 1.909 -4.453) 5.614 3.121 ( -5.326 -20.712 -0.832) 21.401 3.412 ( -0.525 1.816 -3.473) 3.954 3.500 ( 3.360 1.422 -4.678) 5.932 3.590 ( 8.508 -8.341 2.689) 12.215 3.732 ( 2.170 8.088 0.632) 8.398 3.823 ( -1.461 -8.151 -3.294) 8.912 3.889 ( 4.320 2.583 0.729) 5.086 4.207 ( -2.477 0.755 -1.118) 2.820 4.350 ( -4.608 1.727 4.650) 6.771 4.511 ( 4.907 3.087 7.157) 9.211 4.678 ( 6.362 -2.165 -1.434) 6.871 4.865 ( -3.560 2.853 -0.699) 4.615 5.070 ( 6.888 -4.358 0.207) 8.153 5.204 ( -0.142 3.295 -0.603) 3.352 5.259 ( 7.375 0.364 1.350) 7.506 5.508 ( -4.165 -1.797 4.690) 6.525 5.711 ( -0.442 7.235 -4.645) 8.609 5.823 ( -1.624 -2.267 3.725) 4.653 5.915 ( -3.684 3.165 -5.312) 7.197 6.039 ( -5.222 7.259 4.989) 10.240 6.282 ( 4.351 3.316 -3.419) 6.451 6.519 ( -2.744 3.709 3.677) 5.900 6.625 ( 2.465 1.169 1.597) 3.162 7.814 ( -4.839 0.433 -4.364) 6.531 7.866 ( 3.227 -0.315 2.903) 4.352 8.156 ( -1.215 0.076 1.572) 1.989 8.307 ( 2.821 -1.397 -5.295) 6.160 8.953 ( -0.246 5.119 3.660) 6.298 9.071 ( 4.143 5.061 -0.309) 6.548 9.168 ( -3.533 -0.679 -0.984) 3.730 9.297 ( 2.401 -2.602 -2.032) 4.082 9.581 ( -2.754 1.418 1.210) 3.326 9.610 ( 3.187 3.842 2.155) 5.437 9.752 ( -3.260 0.582 1.622) 3.687 9.857 ( -1.079 -3.390 -6.097) 7.059 10.210 ( -6.355 -2.679 -1.953) 7.168 10.278 ( 1.077 -5.791 3.295) 6.750 10.494 ( -2.421 6.107 4.113) 7.751 10.688 ( 1.289 7.963 -4.780) 9.376 11.109 ( 0.052 4.870 6.510) 8.130 11.183 ( -0.039 1.894 0.026) 1.895 11.339 ( 0.537 -2.288 1.544) 2.812 11.490 ( 3.069 0.408 -5.308) 6.145 11.824 ( -8.554 -1.160 -3.071) 9.162 11.927 ( 0.952 -3.178 2.500) 4.154 12.171 ( -4.068 0.642 1.705) 4.458 12.350 ( 1.791 6.000 -2.904) 6.903 12.414 ( -0.743 6.066 0.541) 6.136 12.540 ( 5.061 5.993 -1.783) 8.044 12.796 ( -2.269 1.490 -1.333) 3.024 12.891 ( 4.703 1.752 1.769) 5.321 13.290 ( -1.731 1.105 5.236) 5.625 13.464 ( 2.992 0.753 -4.211) 5.220 13.749 ( -8.770 -6.429 -2.628) 11.187 13.864 ( 3.755 -8.601 5.223) 10.740 14.412 ( -5.643 8.023 -5.914) 11.453 14.505 ( 5.105 0.413 0.627) 5.160 15.051 ( -4.321 -7.702 2.134) 9.085 15.179 ( 3.809 -7.487 1.209) 8.487 15.444 ( 0.275 -4.789 3.587) 5.990 15.607 ( 2.458 -9.693 -4.818) 11.100 15.880 ( -0.688 -6.537 4.966) 8.238 16.071 ( 2.058 -0.781 -5.408) 5.839 16.538 ( -1.866 6.492 1.083) 6.841 16.721 ( 10.098 -1.863 -1.560) 10.387 17.032 ( -1.049 -3.602 1.072) 3.902 17.135 ( 3.093 -4.354 -2.758) 6.011 17.407 ( -3.150 -1.983 1.417) 3.983 17.458 ( -1.389 -2.421 0.002) 2.791 19.815 ( -1.213 -5.825 -1.889) 6.243 19.949 ( 6.642 -6.519 -4.175) 10.200 20.704 ( -2.620 8.740 3.082) 9.631 20.838 ( 1.844 8.196 -2.511) 8.768 22.380 ( -2.187 -9.619 5.254) 11.176 22.516 ( 1.299 -10.522 -3.868) 11.285 23.087 ( -2.935 7.759 5.677) 10.052 23.302 ( 3.311 7.816 -4.061) 9.410 27.340 ( -3.723 -18.708 0.370) 19.078 27.614 ( 15.664 -25.732 0.347) 30.126 29.022 ( -2.887 19.015 -0.862) 19.252 29.056 ( -1.776 20.100 -2.207) 20.299 30.853 ( -1.471 -5.153 1.144) 5.479 30.930 ( 2.491 -5.617 0.240) 6.149 31.090 ( -3.603 -9.047 7.556) 12.326 31.356 ( 2.452 -4.822 -0.199) 5.413 31.521 ( 2.675 2.484 3.521) 5.072 31.684 ( -1.210 5.655 -11.247) 12.646 31.890 ( -1.223 4.308 2.456) 5.107 32.145 ( -0.926 -2.665 -24.833) 24.993 32.884 ( -5.043 -7.875 -1.663) 9.498 33.002 ( 1.309 -9.718 -0.984) 9.855 33.535 ( -3.152 3.294 5.597) 7.219 33.848 ( 5.585 6.082 -6.072) 10.249 35.424 ( -1.719 -1.706 2.173) 3.254 35.479 ( 0.037 -1.491 -1.162) 1.890 35.738 ( -5.944 -3.769 6.905) 9.859 35.939 ( 1.539 -0.119 -1.098) 1.894 36.285 ( 2.966 0.068 2.163) 3.671 36.391 ( 4.220 -8.754 -3.348) 10.279 37.720 ( -1.180 13.969 30.181) 33.278 38.190 ( -2.487 13.721 -17.840) 22.644 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -15.762 -11.842 0.644) 19.725 1.858 ( -4.007 -17.374 2.392) 17.990 2.140 ( 5.073 -8.747 -8.455) 13.180 2.382 ( 6.881 -5.771 3.006) 9.470 2.630 ( -3.578 -10.168 4.200) 11.569 2.861 ( -1.422 -0.118 0.168) 1.436 3.076 ( -2.387 -6.732 -5.449) 8.984 3.288 ( -12.377 -1.758 -6.793) 14.228 3.320 ( -2.463 2.984 -3.194) 5.017 3.479 ( 3.359 -0.802 0.937) 3.578 3.596 ( 1.679 3.956 0.258) 4.305 3.724 ( -1.730 -0.201 -1.083) 2.051 3.816 ( 3.936 5.049 3.390) 7.244 3.966 ( 3.386 -3.292 -5.301) 7.100 4.186 ( 2.854 1.053 -2.371) 3.857 4.311 ( -7.622 -0.373 7.788) 10.904 4.577 ( 9.031 1.565 9.306) 13.062 4.728 ( 5.536 3.021 -3.286) 7.111 4.770 ( -4.791 -0.164 -4.268) 6.419 5.126 ( 3.292 2.969 -4.658) 6.430 5.147 ( 1.493 1.315 -0.291) 2.010 5.372 ( 12.072 1.177 3.978) 12.764 5.506 ( -3.928 8.620 -2.210) 9.727 5.579 ( 2.514 -5.077 2.931) 6.379 5.766 ( -7.069 0.972 -3.217) 7.827 5.904 ( -8.542 -2.203 2.241) 9.102 5.975 ( -0.612 -1.012 6.326) 6.435 6.246 ( 5.138 2.245 -3.529) 6.625 6.458 ( -2.279 2.666 3.015) 4.626 6.610 ( 3.892 3.364 -1.020) 5.244 7.743 ( -4.087 0.583 -2.882) 5.035 7.880 ( -0.450 1.157 1.976) 2.334 8.160 ( -4.280 -0.461 -2.404) 4.931 8.383 ( 5.456 -6.999 -2.766) 9.296 8.931 ( 5.101 2.850 5.956) 8.343 9.049 ( 1.448 0.065 -0.938) 1.726 9.167 ( -0.501 -0.694 2.986) 3.106 9.345 ( 2.711 -0.814 0.180) 2.836 9.503 ( -0.516 4.738 -1.929) 5.142 9.574 ( 1.163 3.953 -0.150) 4.124 9.691 ( -6.991 -3.450 -0.715) 7.829 9.899 ( 1.855 -0.078 2.235) 2.905 10.181 ( -5.789 -0.237 -4.261) 7.192 10.302 ( -4.618 2.891 2.881) 6.163 10.440 ( 1.759 3.047 2.089) 4.092 10.568 ( 0.846 1.739 -4.176) 4.602 11.058 ( -2.411 2.182 5.493) 6.383 11.234 ( 4.599 -2.787 2.193) 5.807 11.377 ( -0.123 -1.682 1.132) 2.031 11.496 ( 3.346 -0.647 -1.781) 3.846 11.681 ( -10.033 4.902 -1.671) 11.291 11.981 ( -1.574 0.057 -0.212) 1.589 12.208 ( -1.089 -3.639 -3.048) 4.870 12.332 ( 0.452 4.437 0.955) 4.561 12.364 ( 3.162 -8.457 0.660) 9.053 12.465 ( 5.635 3.979 -2.242) 7.253 12.711 ( -1.408 5.272 0.219) 5.462 12.844 ( 2.614 7.909 1.590) 8.480 13.315 ( -1.855 -1.823 5.440) 6.030 13.478 ( 4.381 -0.965 -3.934) 5.967 13.754 ( -8.269 -4.429 -3.338) 9.956 13.971 ( -0.977 3.773 -1.425) 4.150 14.230 ( -7.582 -0.986 -1.365) 7.766 14.562 ( 5.285 -1.979 -0.233) 5.648 15.150 ( -4.018 -6.414 1.481) 7.712 15.365 ( 6.474 -4.768 3.445) 8.747 15.420 ( -2.120 3.826 -2.018) 4.817 15.686 ( 3.765 2.983 0.314) 4.814 15.997 ( -5.866 -6.437 -4.807) 9.948 16.112 ( 0.596 -7.320 6.236) 9.635 16.401 ( -3.994 6.694 -1.207) 7.887 16.826 ( 13.844 2.417 -2.913) 14.352 17.098 ( -0.727 -3.823 -3.080) 4.963 17.217 ( 2.695 -2.885 0.820) 4.032 17.422 ( -3.553 -2.160 -2.294) 4.749 17.488 ( -0.268 -1.500 4.403) 4.659 19.959 ( 0.784 -9.906 1.487) 10.048 20.098 ( 5.767 -6.750 -5.685) 10.542 20.562 ( -1.962 6.252 3.699) 7.524 20.671 ( 0.883 9.646 -3.233) 10.212 22.544 ( -4.788 -9.189 3.773) 11.027 22.694 ( 2.066 -8.970 -3.084) 9.708 22.972 ( -1.227 6.550 5.109) 8.396 23.142 ( 3.272 10.287 -3.693) 11.409 27.675 ( -3.750 -21.721 0.078) 22.042 28.203 ( 20.865 -22.255 -1.113) 30.527 28.585 ( -6.444 19.974 -8.160) 22.519 28.705 ( 0.338 21.686 7.184) 22.848 30.943 ( -3.889 -6.440 -0.031) 7.523 31.060 ( 1.693 -6.064 0.126) 6.297 31.179 ( -3.421 -4.340 0.761) 5.578 31.336 ( -4.581 5.221 -5.859) 9.087 31.474 ( 0.820 3.763 0.956) 3.968 31.641 ( 1.570 -0.257 0.133) 1.596 31.766 ( -6.981 4.288 -0.408) 8.202 32.192 ( 10.996 -8.266 -10.693) 17.423 33.006 ( -3.719 -9.093 1.677) 9.966 33.178 ( 2.461 -7.918 -1.001) 8.352 33.480 ( -2.817 2.886 4.627) 6.138 33.718 ( 3.160 8.420 -5.486) 10.534 35.448 ( -2.024 -1.285 1.598) 2.881 35.507 ( 0.180 -1.819 -0.465) 1.886 35.798 ( -5.655 -3.003 7.670) 9.991 35.952 ( 1.483 -0.542 -0.165) 1.587 36.313 ( 0.672 0.150 3.741) 3.804 36.527 ( 1.053 -4.470 -0.750) 4.653 37.625 ( -2.088 10.183 13.744) 17.233 37.866 ( 2.105 8.899 -13.276) 16.120 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -32.354 -0.000 -4.931) 32.728 1.484 ( -23.200 -0.000 4.304) 23.596 2.159 ( 5.638 0.000 -6.980) 8.972 2.219 ( -20.998 -0.000 -0.438) 21.002 2.507 ( 9.593 0.000 4.946) 10.793 2.774 ( -0.560 -0.000 -3.490) 3.535 2.862 ( -2.143 -0.000 -2.090) 2.993 2.930 ( -0.597 -0.000 0.005) 0.597 3.025 ( 16.243 0.000 -2.063) 16.373 3.301 ( 7.682 0.000 -8.727) 11.626 3.637 ( 3.113 0.000 1.924) 3.660 3.653 ( -1.804 -0.000 -2.647) 3.203 3.929 ( -7.346 -0.000 -0.778) 7.387 3.995 ( 12.059 0.000 4.231) 12.780 4.232 ( -10.099 -0.000 5.796) 11.644 4.312 ( -4.766 -0.000 -5.065) 6.954 4.614 ( 6.600 0.000 12.923) 14.511 4.652 ( 6.233 0.000 -4.468) 7.669 4.940 ( -0.027 -0.000 -3.328) 3.328 5.007 ( 2.061 0.000 -1.065) 2.319 5.244 ( -0.170 -0.000 0.377) 0.414 5.248 ( 1.663 0.000 8.771) 8.927 5.471 ( -3.410 -0.000 -6.739) 7.552 5.609 ( -1.370 -0.000 3.964) 4.194 5.959 ( 0.278 0.000 -0.208) 0.348 6.089 ( 1.315 0.000 -0.041) 1.316 6.226 ( -3.732 -0.000 2.622) 4.561 6.312 ( 0.054 0.000 -1.795) 1.795 6.621 ( 0.835 0.000 4.795) 4.867 6.628 ( -1.515 -0.000 0.248) 1.536 7.797 ( -5.894 -0.000 -6.127) 8.501 7.857 ( 6.222 0.000 6.454) 8.965 8.216 ( -0.815 -0.000 -1.313) 1.545 8.313 ( 3.383 0.000 -2.724) 4.343 9.097 ( -2.614 -0.000 2.615) 3.697 9.190 ( -3.652 -0.000 -5.676) 6.749 9.192 ( -5.003 -0.000 -3.223) 5.952 9.265 ( 0.912 0.000 0.593) 1.088 9.605 ( -1.842 -0.000 3.212) 3.703 9.661 ( 2.695 0.000 4.726) 5.440 9.677 ( 8.807 0.000 7.467) 11.546 9.733 ( -3.430 -0.000 -8.787) 9.433 10.133 ( -6.048 -0.000 -8.634) 10.542 10.165 ( 6.129 0.000 4.863) 7.824 10.629 ( -4.243 -0.000 6.263) 7.564 10.872 ( 2.903 0.000 -6.546) 7.160 11.216 ( -1.565 -0.000 4.333) 4.607 11.280 ( 4.795 0.000 4.521) 6.590 11.357 ( 0.355 0.000 2.999) 3.020 11.503 ( 0.663 0.000 -8.139) 8.166 11.721 ( -7.207 -0.000 -1.345) 7.332 11.868 ( 3.903 0.000 2.157) 4.459 12.436 ( -6.755 -0.000 0.719) 6.793 12.504 ( -1.744 -0.000 -0.748) 1.898 12.575 ( 0.543 0.000 -2.359) 2.421 12.648 ( -1.090 -0.000 2.026) 2.300 12.794 ( 3.025 0.000 -8.299) 8.833 12.866 ( 1.924 0.000 -1.936) 2.730 13.393 ( 0.173 0.000 6.076) 6.078 13.460 ( 1.842 0.000 -1.217) 2.208 13.614 ( 2.131 0.000 1.935) 2.878 13.632 ( -0.661 -0.000 -1.115) 1.296 14.469 ( 1.395 0.000 -1.392) 1.971 14.511 ( 3.305 0.000 -0.525) 3.346 14.927 ( -1.361 -0.000 5.322) 5.493 14.991 ( -1.730 -0.000 -4.659) 4.969 15.174 ( -2.417 -0.000 -0.544) 2.478 15.257 ( 0.693 0.000 -1.312) 1.483 15.835 ( 13.325 0.000 15.134) 20.164 15.855 ( -10.315 -0.000 -23.933) 26.061 16.751 ( -0.985 -0.000 1.137) 1.504 16.785 ( -0.516 -0.000 -1.038) 1.159 16.959 ( -0.431 -0.000 2.626) 2.661 17.036 ( 1.690 0.000 -1.287) 2.125 17.337 ( -6.563 -0.000 -5.107) 8.316 17.362 ( 2.032 0.000 6.643) 6.947 19.724 ( -3.714 -0.000 -4.909) 6.156 19.855 ( 8.779 0.000 1.007) 8.837 20.915 ( -1.752 -0.000 0.611) 1.856 21.000 ( 2.409 0.000 -0.044) 2.409 22.161 ( 0.317 0.000 6.760) 6.768 22.278 ( 0.232 0.000 -4.522) 4.528 23.283 ( -2.928 -0.000 2.552) 3.884 23.445 ( 2.746 0.000 -3.001) 4.068 26.964 ( -0.204 -0.000 0.087) 0.222 26.970 ( 0.156 0.000 0.072) 0.172 29.454 ( -5.461 -0.000 -3.964) 6.748 29.492 ( 0.724 0.000 2.380) 2.488 30.731 ( -0.192 -0.000 7.252) 7.255 30.823 ( 3.283 0.000 0.514) 3.323 30.853 ( 2.348 0.000 11.093) 11.339 31.252 ( 5.778 0.000 -16.464) 17.448 31.507 ( 2.323 0.000 10.116) 10.379 31.785 ( -7.535 -0.000 -35.777) 36.562 32.041 ( -3.620 -0.000 -1.955) 4.114 32.093 ( -1.408 -0.000 -5.803) 5.971 32.710 ( -7.083 -0.000 -8.292) 10.905 32.772 ( -0.914 -0.000 0.280) 0.956 33.598 ( -2.900 -0.000 5.216) 5.968 33.963 ( 7.381 0.000 -7.716) 10.678 35.387 ( -1.524 -0.000 2.693) 3.095 35.459 ( 0.036 0.000 -2.104) 2.105 35.654 ( -5.317 -0.000 5.002) 7.300 35.939 ( 6.048 0.000 -3.728) 7.105 36.165 ( -1.310 -0.000 1.188) 1.769 36.305 ( 6.328 0.000 1.301) 6.460 38.133 ( 9.040 0.000 41.503) 42.476 38.469 ( -6.714 -0.000 -19.304) 20.438 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -20.702 -13.198 2.446) 24.673 1.419 ( -23.606 -8.423 10.924) 27.341 2.113 ( -26.670 -11.921 4.215) 29.516 2.163 ( 8.512 3.204 0.768) 9.128 2.444 ( 1.289 13.778 -3.817) 14.355 2.715 ( -1.829 -11.028 6.028) 12.700 2.819 ( -1.129 4.827 -1.294) 5.123 3.005 ( -1.807 -3.015 -9.508) 10.137 3.347 ( 10.152 -12.836 -2.709) 16.588 3.420 ( 9.365 -10.424 -5.288) 14.977 3.606 ( 1.037 2.538 -0.678) 2.824 3.673 ( -1.084 -2.759 -0.990) 3.125 3.822 ( -5.712 3.434 -0.152) 6.667 4.004 ( 6.689 5.957 -4.388) 9.974 4.193 ( -6.251 0.036 4.822) 7.894 4.339 ( 4.147 -3.614 -0.603) 5.533 4.666 ( 6.600 2.866 2.829) 7.732 4.696 ( 3.305 -0.338 3.911) 5.131 4.891 ( 2.110 3.218 -4.653) 6.038 5.053 ( 2.982 -3.651 1.844) 5.062 5.258 ( 0.923 0.200 -1.235) 1.554 5.346 ( 4.828 -0.569 3.037) 5.732 5.377 ( -3.101 -0.148 1.018) 3.268 5.677 ( -5.993 -6.772 2.456) 9.370 5.870 ( 0.117 9.055 -3.012) 9.544 6.017 ( -1.882 7.387 -0.098) 7.624 6.149 ( -5.328 4.549 1.908) 7.261 6.306 ( -0.357 -0.317 -3.738) 3.768 6.579 ( -1.601 3.939 0.886) 4.343 6.662 ( 1.864 -0.286 1.915) 2.687 7.738 ( -5.081 -0.867 -3.262) 6.100 7.966 ( 8.838 0.528 10.135) 13.457 8.184 ( 0.736 2.927 0.359) 3.040 8.290 ( 0.596 1.610 -5.368) 5.636 9.056 ( -2.249 5.089 -0.729) 5.611 9.099 ( -3.366 -1.288 -0.521) 3.641 9.177 ( -1.025 -2.311 -1.776) 3.089 9.256 ( -0.039 2.178 2.999) 3.707 9.577 ( -4.470 1.324 -0.187) 4.666 9.687 ( 2.587 1.559 -1.279) 3.280 9.704 ( -0.234 -5.443 -1.121) 5.562 9.830 ( 2.853 2.237 4.456) 5.745 10.067 ( -4.873 -4.291 -5.755) 8.676 10.243 ( 2.699 -1.971 3.662) 4.957 10.596 ( -4.272 4.502 7.484) 9.722 10.821 ( 4.983 6.395 -2.664) 8.533 11.233 ( 1.580 0.239 -0.254) 1.618 11.283 ( 2.224 8.088 8.561) 11.986 11.326 ( 0.642 0.195 2.389) 2.481 11.492 ( 3.929 0.241 -4.637) 6.082 11.696 ( -7.090 -3.365 -1.543) 7.999 11.914 ( 1.566 -0.615 2.066) 2.664 12.228 ( -9.940 10.287 1.178) 14.353 12.432 ( -2.327 5.533 -5.357) 8.045 12.504 ( -1.651 4.051 0.395) 4.392 12.630 ( -0.079 1.011 -1.824) 2.087 12.781 ( 0.080 -0.715 -6.098) 6.141 12.895 ( 3.727 -2.136 -1.615) 4.589 13.371 ( -0.611 3.669 7.110) 8.024 13.474 ( 2.352 0.335 -4.319) 4.929 13.618 ( -3.154 -0.583 -1.153) 3.408 13.747 ( 3.198 -9.025 2.632) 9.930 14.455 ( -4.939 5.250 -6.715) 9.851 14.536 ( 2.583 -0.385 -0.034) 2.612 14.874 ( -6.134 -6.728 1.006) 9.160 15.106 ( 3.931 -5.054 1.258) 6.525 15.322 ( 3.278 -17.064 -4.118) 17.857 15.353 ( -1.590 -10.294 -3.175) 10.889 15.736 ( -5.562 -7.585 -14.667) 17.424 16.062 ( 11.412 -4.591 8.875) 15.168 16.654 ( -1.951 6.919 -0.279) 7.194 16.746 ( 1.702 1.994 -2.300) 3.488 16.985 ( -0.548 -1.836 0.417) 1.961 17.075 ( 2.145 -3.514 -1.705) 4.456 17.302 ( -5.428 -3.709 -3.126) 7.280 17.433 ( -0.119 -2.037 5.535) 5.899 19.715 ( -0.557 -3.342 -1.242) 3.608 19.937 ( 8.578 -0.383 1.479) 8.713 20.841 ( -1.950 6.648 2.054) 7.226 20.971 ( 2.544 5.488 -1.028) 6.136 22.252 ( -1.548 -5.702 4.612) 7.495 22.330 ( 0.881 -7.816 -4.522) 9.073 23.220 ( -2.431 5.615 5.011) 7.909 23.417 ( 3.444 4.016 -3.403) 6.291 27.059 ( -0.978 -10.490 0.175) 10.537 27.240 ( 10.334 -26.143 -1.582) 28.156 29.250 ( -5.939 14.281 -4.300) 16.053 29.387 ( -0.070 12.947 3.437) 13.396 30.761 ( -3.647 -1.796 -2.731) 4.898 30.873 ( 2.646 -2.683 -1.064) 3.916 30.962 ( -2.843 -4.420 1.275) 5.408 31.190 ( -5.658 -10.639 -18.355) 21.957 31.592 ( 2.668 -0.436 -1.131) 2.931 31.621 ( -0.362 -1.739 -2.352) 2.947 31.990 ( -3.317 0.374 -0.614) 3.394 32.006 ( -2.369 6.402 -3.154) 7.520 32.694 ( -6.222 -6.668 -1.146) 9.191 32.844 ( -1.122 -8.076 1.348) 8.264 33.589 ( -2.025 1.861 3.980) 4.838 33.940 ( 5.686 3.473 -7.508) 10.038 35.397 ( -1.954 -0.995 2.185) 3.096 35.453 ( 0.292 -0.643 -1.593) 1.743 35.669 ( -4.907 -2.703 5.521) 7.865 35.955 ( 3.748 0.555 -2.278) 4.421 36.243 ( 2.727 -7.448 -1.230) 8.026 36.356 ( 6.400 1.106 1.960) 6.784 38.209 ( 0.778 15.454 13.797) 20.731 38.278 ( 1.753 11.410 0.818) 11.573 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -17.997 -14.961 5.275) 23.990 1.565 ( -11.692 -14.478 15.396) 24.153 2.149 ( 12.668 4.143 -2.143) 13.500 2.326 ( -0.090 -13.514 8.091) 15.751 2.427 ( -6.676 -14.472 6.738) 17.304 2.705 ( -6.165 -1.486 -0.585) 6.368 2.917 ( -6.664 -1.826 -8.438) 10.906 2.979 ( -9.426 -13.561 -0.883) 16.539 3.394 ( 1.060 5.051 -6.130) 8.014 3.497 ( 5.998 1.298 -7.185) 9.449 3.670 ( -2.201 -1.103 0.574) 2.527 3.707 ( -1.406 -0.682 -2.573) 3.010 3.776 ( 1.238 -1.798 0.134) 2.187 3.964 ( 6.213 0.218 -4.205) 7.505 4.188 ( -4.996 -1.449 4.359) 6.787 4.399 ( 8.467 4.573 1.454) 9.732 4.705 ( 7.041 0.148 3.692) 7.951 4.729 ( -0.900 0.829 -1.938) 2.292 4.827 ( 6.769 3.869 -2.420) 8.164 5.147 ( 3.514 -1.779 -3.235) 5.097 5.206 ( 1.097 2.800 0.782) 3.107 5.401 ( 5.624 -3.896 -0.660) 6.873 5.495 ( -2.628 -6.716 3.857) 8.178 5.652 ( -1.866 9.993 -1.454) 10.269 5.737 ( -6.713 -2.621 -2.183) 7.530 5.856 ( -2.057 6.533 4.757) 8.339 6.037 ( -4.945 4.038 3.265) 7.171 6.284 ( 2.480 0.640 -4.893) 5.522 6.494 ( -2.603 3.467 0.978) 4.445 6.664 ( 1.536 1.115 -3.165) 3.691 7.705 ( -3.154 -0.313 -0.348) 3.189 7.993 ( 4.000 7.061 5.398) 9.746 8.134 ( -3.307 2.748 -1.460) 4.541 8.308 ( 7.424 -4.643 0.101) 8.757 9.007 ( -0.440 0.386 0.628) 0.858 9.068 ( -0.842 1.622 -1.695) 2.493 9.207 ( 3.177 1.342 6.099) 7.007 9.281 ( -5.068 -6.092 0.637) 7.950 9.512 ( -5.044 1.374 -1.298) 5.387 9.645 ( -0.184 3.533 -1.706) 3.928 9.707 ( -1.134 6.436 -1.410) 6.685 9.831 ( 1.885 -6.941 0.418) 7.204 10.119 ( -2.142 -2.869 -1.095) 3.744 10.311 ( -0.620 -2.248 3.387) 4.112 10.490 ( -4.949 7.168 5.335) 10.214 10.695 ( 3.622 9.160 -2.028) 10.057 11.144 ( -1.092 6.091 3.821) 7.272 11.285 ( 3.055 1.910 5.924) 6.934 11.371 ( 2.207 -0.887 0.518) 2.434 11.489 ( 2.853 -0.650 -3.987) 4.946 11.662 ( -9.033 1.294 0.020) 9.125 11.905 ( -7.526 -1.209 0.107) 7.623 12.128 ( -0.099 -4.257 -0.725) 4.319 12.314 ( 0.272 2.315 -2.295) 3.272 12.426 ( 0.761 4.604 1.209) 4.821 12.588 ( 4.164 4.062 -2.846) 6.476 12.753 ( -1.255 0.776 -2.862) 3.220 12.932 ( 2.402 0.423 -2.376) 3.405 13.351 ( -0.487 2.843 8.010) 8.514 13.472 ( 4.176 -0.942 -4.633) 6.308 13.597 ( -5.746 -2.562 -2.570) 6.796 13.950 ( 2.628 -8.100 3.407) 9.172 14.198 ( -11.641 8.331 -7.337) 16.086 14.566 ( 2.084 -1.240 0.532) 2.483 14.992 ( -4.792 -7.680 1.030) 9.111 15.277 ( 5.875 -9.206 1.621) 11.040 15.493 ( -1.270 -6.059 -2.980) 6.871 15.549 ( 4.405 -6.162 -3.957) 8.546 15.836 ( -1.415 -10.057 -2.369) 10.429 16.152 ( 1.327 5.194 5.303) 7.541 16.510 ( -0.883 7.944 -1.514) 8.135 16.839 ( 12.742 -8.907 -10.665) 18.853 17.024 ( 0.565 -2.718 -1.182) 3.017 17.167 ( 2.382 -4.916 0.054) 5.463 17.327 ( -3.748 -3.853 -1.022) 5.471 17.479 ( -1.966 -1.316 4.637) 5.206 19.821 ( 1.566 -7.393 2.222) 7.876 20.025 ( 7.106 -3.318 -1.779) 8.041 20.699 ( -2.582 8.397 3.154) 9.334 20.841 ( 1.832 9.513 -2.218) 9.939 22.366 ( -5.853 -8.040 3.361) 10.497 22.490 ( 1.489 -11.345 -4.594) 12.330 23.127 ( -1.154 7.109 5.606) 9.127 23.314 ( 3.747 8.090 -3.841) 9.708 27.304 ( -1.488 -17.370 0.535) 17.442 27.890 ( 22.762 -29.607 -9.123) 38.443 28.872 ( -4.129 19.737 -2.720) 20.347 29.105 ( -1.772 19.299 5.003) 20.016 30.757 ( -8.564 -8.665 -6.148) 13.646 30.953 ( 1.936 -5.842 -2.302) 6.571 31.021 ( -1.906 -7.248 -5.475) 9.281 31.281 ( -6.240 -4.982 -0.769) 8.022 31.613 ( 3.435 6.695 3.214) 8.182 31.635 ( 1.289 -1.990 2.123) 3.182 31.830 ( -3.488 7.758 -0.506) 8.521 32.038 ( 1.595 -8.514 -3.727) 9.430 32.812 ( -3.702 -9.924 1.727) 10.732 33.025 ( 0.190 -10.601 2.115) 10.811 33.544 ( -1.912 3.532 2.994) 5.009 33.845 ( 3.724 6.510 -7.240) 10.424 35.416 ( -1.635 -1.520 1.630) 2.764 35.472 ( 0.257 -1.775 -0.507) 1.864 35.726 ( -5.481 -4.016 6.337) 9.291 35.964 ( 2.520 0.057 -0.209) 2.529 36.381 ( 4.743 2.340 2.932) 6.047 36.410 ( 3.338 -8.483 -3.337) 9.708 37.967 ( -1.881 12.902 3.093) 13.400 37.995 ( -2.206 19.877 2.854) 20.202 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -25.467 -0.000 7.098) 26.438 1.207 ( -26.584 -0.000 16.141) 31.100 1.809 ( -37.060 -0.000 19.484) 41.869 2.268 ( 5.090 0.000 12.105) 13.132 2.498 ( -13.080 -0.000 -4.632) 13.876 2.699 ( -9.229 -0.000 -9.165) 13.007 2.909 ( 9.089 0.000 2.204) 9.352 3.040 ( 20.871 0.000 -1.729) 20.943 3.207 ( 8.287 0.000 -6.778) 10.706 3.337 ( 11.401 0.000 -4.483) 12.251 3.624 ( -1.708 -0.000 1.776) 2.464 3.636 ( -1.943 -0.000 -5.597) 5.925 3.816 ( -1.617 -0.000 0.246) 1.636 4.092 ( 2.358 0.000 -4.181) 4.800 4.178 ( -3.808 -0.000 1.618) 4.137 4.309 ( 6.927 0.000 -1.495) 7.086 4.728 ( 9.503 0.000 -4.300) 10.431 4.737 ( -4.402 -0.000 8.029) 9.157 4.953 ( -5.260 -0.000 -2.156) 5.685 4.968 ( 4.940 0.000 -4.187) 6.476 5.256 ( 1.753 0.000 -3.046) 3.514 5.349 ( 3.273 0.000 10.279) 10.788 5.506 ( 11.325 0.000 -2.770) 11.659 5.567 ( -7.829 -0.000 4.855) 9.212 5.940 ( -1.881 -0.000 -5.818) 6.114 6.071 ( -5.698 -0.000 -2.642) 6.281 6.104 ( -8.682 -0.000 -1.996) 8.909 6.276 ( -0.994 -0.000 -1.634) 1.912 6.620 ( -0.931 -0.000 0.748) 1.195 6.668 ( -0.287 -0.000 0.148) 0.323 7.696 ( -2.293 -0.000 2.500) 3.392 8.111 ( 11.574 0.000 11.924) 16.617 8.256 ( 5.411 0.000 1.451) 5.602 8.283 ( -1.391 -0.000 -3.546) 3.809 9.040 ( -2.796 -0.000 -4.704) 5.472 9.091 ( -1.635 -0.000 -1.592) 2.282 9.107 ( -5.254 -0.000 3.290) 6.199 9.269 ( -3.087 -0.000 0.498) 3.127 9.557 ( -3.157 -0.000 -1.946) 3.709 9.673 ( 0.767 0.000 -4.049) 4.121 9.697 ( -0.440 -0.000 1.856) 1.907 9.879 ( -1.577 -0.000 -0.561) 1.674 10.009 ( 3.386 0.000 3.508) 4.876 10.273 ( 3.697 0.000 2.552) 4.493 10.652 ( -4.763 -0.000 9.282) 10.432 10.960 ( 11.760 0.000 1.442) 11.848 11.186 ( -0.244 -0.000 -4.163) 4.170 11.371 ( 1.163 0.000 1.570) 1.954 11.447 ( -6.061 -0.000 9.878) 11.590 11.482 ( 5.616 0.000 -5.193) 7.649 11.639 ( 0.366 0.000 2.051) 2.083 11.938 ( 2.137 0.000 1.713) 2.739 12.319 ( -12.174 -0.000 -8.007) 14.571 12.447 ( -2.263 -0.000 -5.520) 5.966 12.487 ( -1.933 -0.000 -2.801) 3.403 12.544 ( -4.423 -0.000 3.063) 5.379 12.784 ( 7.174 0.000 -4.825) 8.646 12.910 ( 2.997 0.000 0.544) 3.046 13.437 ( -3.008 -0.000 4.302) 5.250 13.453 ( 1.029 0.000 -3.416) 3.568 13.618 ( 0.858 0.000 -3.039) 3.158 13.685 ( 3.492 0.000 2.704) 4.416 14.488 ( 2.912 0.000 -1.542) 3.295 14.543 ( 0.383 0.000 -2.580) 2.608 14.663 ( -19.600 -0.000 -25.977) 32.542 14.930 ( -3.892 -0.000 3.580) 5.289 15.113 ( -2.562 -0.000 -0.152) 2.567 15.184 ( -2.817 -0.000 -5.765) 6.416 15.570 ( -1.685 -0.000 -1.091) 2.007 16.188 ( 9.732 0.000 12.083) 15.514 16.715 ( -4.066 -0.000 -1.025) 4.194 16.743 ( -1.947 -0.000 -2.636) 3.277 16.974 ( -0.334 -0.000 0.572) 0.662 17.026 ( 0.821 0.000 -3.643) 3.734 17.208 ( -3.566 -0.000 -2.096) 4.137 17.444 ( -1.460 -0.000 6.146) 6.317 19.686 ( 1.311 0.000 1.231) 1.798 20.042 ( 9.346 0.000 4.882) 10.544 20.908 ( -0.833 -0.000 1.641) 1.840 21.045 ( 3.137 0.000 -0.194) 3.143 22.215 ( -1.432 -0.000 2.174) 2.604 22.232 ( 1.121 0.000 -5.081) 5.203 23.284 ( -2.053 -0.000 4.391) 4.847 23.454 ( 2.535 0.000 -2.983) 3.914 26.961 ( -0.210 -0.000 -0.022) 0.211 26.972 ( 0.089 0.000 -0.054) 0.104 29.354 ( -2.691 -0.000 0.015) 2.691 29.504 ( -2.422 -0.000 2.298) 3.338 30.632 ( -25.243 -0.000 -40.157) 47.432 30.776 ( 1.447 0.000 0.355) 1.490 30.868 ( 2.853 0.000 -1.431) 3.192 30.990 ( -0.615 -0.000 10.631) 10.649 31.574 ( 4.650 0.000 -3.163) 5.624 31.665 ( -2.520 -0.000 15.398) 15.602 31.961 ( -4.765 -0.000 -0.510) 4.792 32.085 ( 0.045 0.000 2.210) 2.211 32.581 ( -5.472 -0.000 1.489) 5.671 32.747 ( -3.510 -0.000 1.781) 3.936 33.612 ( -1.230 -0.000 2.751) 3.013 33.968 ( 4.796 0.000 -8.231) 9.527 35.385 ( -2.261 -0.000 2.458) 3.340 35.442 ( 1.064 0.000 -2.038) 2.299 35.639 ( -3.836 -0.000 4.716) 6.079 35.977 ( 4.839 0.000 -5.052) 6.996 36.184 ( 1.407 0.000 1.903) 2.366 36.435 ( 6.813 0.000 2.609) 7.296 38.195 ( 0.741 0.000 -19.220) 19.234 38.703 ( 11.873 0.000 21.839) 24.858 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -16.134 -16.727 14.011) 27.137 1.275 ( -15.654 -18.569 20.043) 31.489 1.812 ( -28.274 -17.156 23.194) 40.395 2.341 ( -4.466 -1.933 -0.448) 4.887 2.415 ( 7.739 3.689 9.692) 12.939 2.617 ( -10.808 -6.642 -7.882) 14.935 2.841 ( 1.818 8.386 4.651) 9.760 2.945 ( 7.907 10.417 -6.942) 14.806 3.397 ( 3.138 -2.551 -8.579) 9.484 3.501 ( 10.880 -4.487 -5.290) 12.903 3.595 ( -1.515 -1.960 1.255) 2.777 3.651 ( 0.786 -2.503 -1.938) 3.262 3.819 ( 2.643 0.451 -0.003) 2.681 4.017 ( 5.055 4.366 -6.752) 9.497 4.149 ( -4.225 -0.965 2.395) 4.951 4.448 ( 7.863 -5.637 -1.343) 9.767 4.742 ( -1.312 0.138 5.881) 6.027 4.786 ( 9.329 0.058 -2.128) 9.569 4.901 ( 2.754 1.375 -4.363) 5.340 5.032 ( -3.548 -7.580 -2.498) 8.734 5.229 ( 0.876 1.229 -5.464) 5.669 5.393 ( -2.194 1.984 1.090) 3.153 5.499 ( 2.330 1.902 5.535) 6.300 5.638 ( 2.642 -2.533 3.251) 4.896 5.772 ( -5.175 6.708 -5.687) 10.205 5.977 ( -6.658 2.093 -2.374) 7.372 6.017 ( -7.168 2.703 0.782) 7.700 6.266 ( 0.776 -0.522 -2.748) 2.903 6.561 ( -2.108 4.700 -0.330) 5.162 6.651 ( -1.707 0.448 -3.643) 4.048 7.718 ( 1.992 0.687 6.139) 6.490 8.147 ( -2.811 8.108 -3.014) 9.095 8.239 ( 6.534 4.281 7.799) 11.038 8.330 ( 8.691 -1.886 2.931) 9.364 8.982 ( -3.349 1.109 -4.275) 5.542 9.079 ( -1.019 -0.304 1.676) 1.985 9.139 ( -5.322 -3.090 2.193) 6.533 9.234 ( -4.875 -2.537 -0.164) 5.498 9.493 ( -1.496 2.099 -2.256) 3.425 9.648 ( -5.310 0.186 -7.202) 8.950 9.700 ( -2.683 -2.049 2.401) 4.143 9.835 ( 2.135 1.880 1.370) 3.157 10.093 ( 3.946 -0.370 7.479) 8.464 10.317 ( 3.282 -0.133 1.925) 3.808 10.620 ( -4.790 5.240 8.943) 11.418 10.883 ( 2.782 10.486 -3.794) 11.493 11.269 ( 2.227 1.005 -0.804) 2.572 11.320 ( -1.744 0.146 -2.018) 2.671 11.394 ( -2.212 1.987 5.422) 6.184 11.493 ( 0.784 0.609 -3.330) 3.475 11.637 ( 0.214 3.056 3.810) 4.889 11.859 ( -15.423 5.022 -2.579) 16.424 12.090 ( -0.197 0.403 0.331) 0.558 12.396 ( 3.370 5.723 -1.029) 6.721 12.479 ( -6.721 -2.071 -2.490) 7.461 12.575 ( 6.447 1.310 2.504) 7.039 12.774 ( 5.428 2.529 -3.154) 6.768 12.940 ( 3.089 -0.828 -0.797) 3.296 13.417 ( -3.500 1.023 5.379) 6.498 13.462 ( 3.028 -0.889 -3.661) 4.834 13.574 ( -0.915 2.705 -1.404) 3.182 13.813 ( 0.609 -8.353 0.397) 8.384 14.230 ( -7.954 7.231 -6.039) 12.330 14.562 ( 1.235 -0.141 -0.347) 1.290 14.814 ( -2.054 -11.684 0.916) 11.898 15.172 ( 3.173 -6.955 0.377) 7.654 15.226 ( -4.124 -10.457 -5.490) 12.510 15.306 ( 9.364 -33.544 -17.831) 39.126 15.648 ( 1.364 -6.188 6.105) 8.799 16.271 ( 2.390 3.461 5.613) 7.014 16.621 ( 0.628 4.158 -2.446) 4.865 16.714 ( -0.064 -1.833 -5.334) 5.640 16.961 ( -0.453 -2.098 -2.624) 3.390 17.087 ( 1.281 -5.304 -1.356) 5.623 17.232 ( -1.362 -4.242 0.862) 4.538 17.464 ( -3.569 -0.874 4.622) 5.905 19.753 ( 3.022 -3.916 3.801) 6.238 20.086 ( 5.810 3.203 2.887) 7.235 20.843 ( -1.242 7.057 2.719) 7.664 20.998 ( 2.220 6.871 -1.261) 7.330 22.222 ( -6.704 -3.783 1.438) 7.831 22.295 ( 1.678 -8.106 -4.914) 9.627 23.248 ( -2.325 4.439 4.328) 6.622 23.427 ( 3.005 3.698 -4.168) 6.330 27.051 ( -0.358 -10.090 0.299) 10.101 27.364 ( 11.506 -35.402 -12.040) 39.123 29.188 ( 1.553 16.171 2.815) 16.488 29.393 ( -3.420 11.762 2.600) 12.522 30.437 ( -8.252 -11.597 -7.687) 16.176 30.849 ( 1.657 -5.443 -3.467) 6.663 30.905 ( 2.045 -3.149 -2.432) 4.473 31.123 ( -2.919 -8.155 7.758) 11.628 31.613 ( 0.682 -2.047 1.182) 2.460 31.750 ( 2.690 -1.364 7.452) 8.039 31.874 ( -5.557 3.094 -2.465) 6.822 32.015 ( -2.519 7.509 4.200) 8.965 32.638 ( -2.067 -7.733 3.066) 8.572 32.838 ( -2.340 -10.231 2.561) 10.803 33.598 ( -1.186 2.067 1.915) 3.058 33.920 ( 3.495 3.637 -8.468) 9.856 35.390 ( -1.865 -1.006 2.160) 3.026 35.449 ( 1.163 -0.819 -1.074) 1.782 35.660 ( -3.928 -2.479 4.876) 6.734 35.981 ( 3.394 -0.123 -3.352) 4.772 36.275 ( 2.722 -6.572 -0.450) 7.128 36.479 ( 4.989 1.907 2.728) 5.998 38.062 ( 6.184 6.087 -16.353) 18.512 38.528 ( -7.748 28.411 13.255) 32.294 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -9.232 -0.000 22.631) 24.442 1.064 ( -19.505 -0.000 25.865) 32.395 1.677 ( -19.177 -0.000 36.982) 41.658 2.199 ( -11.577 -0.000 -11.308) 16.183 2.355 ( -11.547 -0.000 -1.997) 11.719 2.646 ( 12.056 0.000 9.246) 15.193 2.999 ( 0.427 0.000 4.867) 4.886 3.126 ( -1.685 -0.000 -11.050) 11.178 3.386 ( 20.857 0.000 -1.098) 20.886 3.499 ( 10.193 0.000 -1.142) 10.257 3.602 ( 6.936 0.000 -5.129) 8.626 3.614 ( -3.286 -0.000 2.142) 3.922 3.828 ( 1.598 0.000 -0.993) 1.882 4.037 ( -1.123 -0.000 -12.217) 12.268 4.131 ( 0.169 0.000 1.809) 1.816 4.426 ( 5.909 0.000 1.025) 5.997 4.766 ( -3.799 -0.000 9.617) 10.340 4.808 ( 1.685 0.000 -3.345) 3.746 4.854 ( 0.284 0.000 -0.346) 0.448 4.957 ( 4.429 0.000 -5.361) 6.954 5.218 ( 0.323 0.000 -5.554) 5.564 5.388 ( -8.474 -0.000 -5.706) 10.216 5.511 ( -6.002 -0.000 1.385) 6.160 5.720 ( 6.619 0.000 1.575) 6.804 5.755 ( -6.386 -0.000 -9.221) 11.217 5.818 ( -6.096 -0.000 -5.327) 8.096 6.069 ( -2.373 -0.000 7.195) 7.576 6.253 ( 1.081 0.000 -2.427) 2.657 6.585 ( -2.870 -0.000 -2.150) 3.586 6.622 ( -3.078 -0.000 -1.682) 3.507 7.805 ( 5.571 0.000 9.417) 10.941 8.208 ( -2.833 -0.000 -6.347) 6.951 8.337 ( 1.416 0.000 -0.131) 1.422 8.408 ( 10.812 0.000 7.486) 13.151 8.965 ( 0.278 0.000 -3.483) 3.494 9.069 ( -10.272 -0.000 2.447) 10.560 9.098 ( -0.968 -0.000 4.989) 5.082 9.114 ( -5.044 -0.000 -6.468) 8.202 9.515 ( -0.455 -0.000 -1.891) 1.945 9.550 ( -4.351 -0.000 -6.653) 7.949 9.670 ( -6.059 -0.000 3.555) 7.025 9.863 ( 3.072 0.000 1.992) 3.662 10.227 ( 10.700 0.000 8.815) 13.864 10.354 ( 2.987 0.000 1.678) 3.426 10.681 ( -4.063 -0.000 8.216) 9.166 10.978 ( -8.626 -0.000 -14.553) 16.917 11.131 ( -1.774 -0.000 -4.116) 4.482 11.359 ( -10.051 -0.000 3.360) 10.598 11.395 ( 3.557 0.000 -1.686) 3.936 11.492 ( 2.421 0.000 -4.907) 5.472 11.735 ( 0.368 0.000 6.779) 6.789 11.755 ( -17.703 -0.000 -4.229) 18.201 12.119 ( 5.278 0.000 4.193) 6.741 12.414 ( 4.966 0.000 -1.119) 5.091 12.476 ( 3.043 0.000 -1.355) 3.331 12.788 ( 13.894 0.000 -1.202) 13.946 12.871 ( 1.435 0.000 3.171) 3.480 12.936 ( 0.580 0.000 -0.983) 1.141 13.422 ( 0.048 0.000 -3.859) 3.859 13.448 ( -0.007 -0.000 8.386) 8.386 13.584 ( 0.745 0.000 -4.314) 4.378 13.697 ( -6.111 -0.000 -4.487) 7.581 14.279 ( 12.196 0.000 5.939) 13.565 14.517 ( 2.814 0.000 -1.406) 3.146 14.574 ( 1.635 0.000 -1.606) 2.292 14.903 ( -4.323 -0.000 3.212) 5.386 15.102 ( -0.283 -0.000 -5.059) 5.067 15.111 ( 0.088 0.000 2.125) 2.127 15.666 ( 5.594 0.000 9.290) 10.844 16.347 ( -2.647 -0.000 2.729) 3.801 16.626 ( -3.409 -0.000 -0.933) 3.534 16.675 ( -1.613 -0.000 -4.141) 4.445 16.970 ( -0.238 -0.000 0.419) 0.482 16.995 ( 1.262 0.000 -3.914) 4.112 17.192 ( 1.173 0.000 1.693) 2.059 17.444 ( -5.520 -0.000 3.414) 6.491 19.774 ( 4.469 0.000 5.693) 7.238 20.175 ( 1.573 0.000 1.446) 2.137 20.925 ( -0.205 -0.000 2.628) 2.636 21.075 ( 1.632 0.000 -1.531) 2.237 22.135 ( -9.063 -0.000 -0.128) 9.063 22.205 ( 2.879 0.000 -5.012) 5.780 23.288 ( -3.677 -0.000 3.186) 4.866 23.451 ( 1.838 0.000 -3.602) 4.044 26.960 ( 0.032 0.000 0.153) 0.157 26.972 ( 0.015 0.000 -0.117) 0.118 29.404 ( 2.582 0.000 2.193) 3.387 29.479 ( -3.286 -0.000 1.593) 3.652 30.363 ( 24.500 0.000 10.137) 26.515 30.789 ( 1.040 0.000 -1.334) 1.691 30.884 ( 2.177 0.000 -2.252) 3.132 31.076 ( -3.605 -0.000 9.739) 10.385 31.598 ( 1.995 0.000 -4.382) 4.815 31.687 ( -14.378 -0.000 8.547) 16.727 31.935 ( 1.065 0.000 3.897) 4.040 32.119 ( 0.491 0.000 2.707) 2.752 32.583 ( 2.772 0.000 3.571) 4.521 32.711 ( -3.943 -0.000 2.181) 4.507 33.617 ( -1.270 -0.000 1.377) 1.873 33.929 ( 2.942 0.000 -9.096) 9.560 35.378 ( -2.273 -0.000 2.551) 3.417 35.449 ( 2.220 0.000 -1.379) 2.613 35.637 ( -2.873 -0.000 4.119) 5.022 35.968 ( 2.693 0.000 -6.731) 7.250 36.248 ( 2.505 0.000 3.888) 4.625 36.539 ( 2.347 0.000 1.835) 2.979 38.104 ( 12.294 0.000 -13.626) 18.352 38.753 ( -19.608 -0.000 -5.975) 20.498 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -4.914 -0.000 -19.369) 19.982 1.526 ( 4.914 0.000 19.369) 19.982 1.784 ( -1.459 -0.000 -21.726) 21.775 1.784 ( 1.459 0.000 21.726) 21.775 2.636 ( 2.052 0.000 -19.076) 19.186 2.636 ( -2.052 -0.000 19.076) 19.186 3.055 ( -3.900 -0.000 -1.356) 4.129 3.055 ( 3.900 0.000 1.356) 4.129 3.529 ( 2.177 0.000 -3.994) 4.548 3.529 ( -2.177 -0.000 3.994) 4.548 3.698 ( 2.330 0.000 -1.988) 3.063 3.698 ( -2.330 -0.000 1.988) 3.063 3.727 ( 1.352 0.000 -3.083) 3.367 3.727 ( -1.352 -0.000 3.083) 3.367 4.270 ( -6.010 -0.000 -5.180) 7.934 4.270 ( 6.010 0.000 5.180) 7.934 4.864 ( -0.846 -0.000 -1.655) 1.859 4.864 ( 0.846 0.000 1.655) 1.859 5.107 ( -4.317 -0.000 -0.561) 4.353 5.107 ( 4.317 0.000 0.561) 4.353 5.173 ( -2.457 -0.000 -5.278) 5.822 5.173 ( 2.457 0.000 5.278) 5.822 5.210 ( -12.031 -0.000 -10.643) 16.063 5.210 ( 12.031 0.000 10.643) 16.063 5.777 ( -5.193 -0.000 -2.893) 5.944 5.777 ( 5.193 0.000 2.893) 5.944 6.258 ( -5.378 -0.000 -0.282) 5.385 6.258 ( 5.378 0.000 0.282) 5.385 6.510 ( -6.588 -0.000 -1.870) 6.848 6.510 ( 6.588 0.000 1.870) 6.848 7.938 ( -2.686 -0.000 0.300) 2.703 7.938 ( 2.686 0.000 -0.300) 2.703 8.481 ( -5.124 -0.000 -5.940) 7.844 8.481 ( 5.124 0.000 5.940) 7.844 8.942 ( -3.561 -0.000 0.621) 3.614 8.942 ( 3.561 0.000 -0.621) 3.614 9.244 ( -1.446 -0.000 -6.433) 6.593 9.244 ( 1.446 0.000 6.433) 6.593 9.348 ( -4.157 -0.000 -2.701) 4.958 9.348 ( 4.157 0.000 2.701) 4.958 9.872 ( 1.688 0.000 -7.810) 7.990 9.872 ( -1.688 -0.000 7.810) 7.990 10.363 ( 3.118 0.000 -1.089) 3.303 10.363 ( -3.118 -0.000 1.089) 3.303 10.712 ( -9.523 -0.000 -0.654) 9.545 10.712 ( 9.523 0.000 0.654) 9.545 11.138 ( -0.080 -0.000 -9.129) 9.129 11.138 ( 0.080 0.000 9.129) 9.129 11.364 ( 4.197 0.000 -3.364) 5.378 11.364 ( -4.197 -0.000 3.364) 5.378 11.831 ( -5.074 -0.000 -0.802) 5.137 11.831 ( 5.074 0.000 0.802) 5.137 12.405 ( 0.477 0.000 -5.325) 5.346 12.405 ( -0.477 -0.000 5.325) 5.346 12.644 ( -9.013 -0.000 -3.808) 9.784 12.644 ( 9.013 0.000 3.808) 9.784 12.869 ( 1.012 0.000 -1.183) 1.557 12.869 ( -1.012 -0.000 1.183) 1.557 13.394 ( -3.575 -0.000 -3.176) 4.782 13.394 ( 3.575 0.000 3.176) 4.782 13.559 ( -2.444 -0.000 0.014) 2.444 13.559 ( 2.444 0.000 -0.014) 2.444 14.536 ( -0.747 -0.000 -0.836) 1.121 14.536 ( 0.747 0.000 0.836) 1.121 14.933 ( -3.147 -0.000 -0.801) 3.247 14.933 ( 3.147 0.000 0.801) 3.247 15.027 ( -14.498 -0.000 -1.840) 14.615 15.027 ( 14.498 0.000 1.840) 14.615 16.098 ( -12.441 -0.000 -5.667) 13.671 16.098 ( 12.441 0.000 5.667) 13.671 16.571 ( -1.647 -0.000 -0.140) 1.653 16.571 ( 1.647 0.000 0.140) 1.653 16.981 ( -1.597 -0.000 -0.250) 1.616 16.981 ( 1.597 0.000 0.250) 1.616 17.339 ( -7.211 -0.000 -2.332) 7.579 17.339 ( 7.211 0.000 2.332) 7.579 20.064 ( -5.943 -0.000 -4.806) 7.643 20.064 ( 5.943 0.000 4.806) 7.643 21.020 ( 0.341 0.000 -2.725) 2.746 21.020 ( -0.341 -0.000 2.725) 2.746 22.107 ( 6.765 0.000 -4.991) 8.407 22.107 ( -6.765 -0.000 4.991) 8.407 23.346 ( 2.671 0.000 -4.140) 4.927 23.346 ( -2.671 -0.000 4.140) 4.927 26.967 ( -0.040 -0.000 -0.158) 0.163 26.967 ( 0.040 0.000 0.158) 0.163 29.455 ( -2.265 -0.000 -0.319) 2.287 29.455 ( 2.265 0.000 0.319) 2.287 30.784 ( -0.066 -0.000 -1.161) 1.162 30.784 ( 0.066 0.000 1.161) 1.162 31.202 ( -30.184 -0.000 6.072) 30.788 31.202 ( 30.184 0.000 -6.072) 30.788 31.499 ( -7.732 -0.000 -0.356) 7.740 31.499 ( 7.732 0.000 0.356) 7.740 32.137 ( 0.139 0.000 -3.295) 3.298 32.137 ( -0.139 -0.000 3.295) 3.298 32.714 ( -8.203 -0.000 2.294) 8.517 32.714 ( 8.203 0.000 -2.294) 8.517 33.689 ( 2.685 0.000 -6.284) 6.834 33.689 ( -2.685 -0.000 6.284) 6.834 35.431 ( 2.662 0.000 -2.570) 3.700 35.431 ( -2.662 -0.000 2.570) 3.700 35.764 ( 2.160 0.000 -6.661) 7.002 35.764 ( -2.160 -0.000 6.661) 7.002 36.469 ( -3.410 -0.000 -4.974) 6.030 36.469 ( 3.410 0.000 4.974) 6.030 38.177 ( -32.266 -0.000 2.833) 32.391 38.177 ( 32.266 0.000 -2.833) 32.391 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -3.615 -13.248 -18.079) 22.703 1.842 ( 8.786 -20.898 -21.172) 31.019 1.880 ( 10.015 -18.776 14.552) 25.779 2.009 ( 4.996 -9.049 16.735) 19.670 2.505 ( 2.970 3.015 -21.266) 21.683 2.675 ( -2.046 3.365 11.950) 12.582 2.945 ( -4.392 6.263 -1.152) 7.736 3.008 ( 2.406 6.001 -1.508) 6.638 3.435 ( -4.206 5.467 -2.598) 7.371 3.502 ( 1.582 3.750 2.465) 4.759 3.558 ( -11.660 3.918 -2.891) 12.636 3.697 ( 0.664 1.860 1.486) 2.471 3.749 ( -1.395 -0.783 -0.855) 1.814 3.865 ( 5.672 -6.624 4.365) 9.752 4.198 ( -5.004 0.831 -3.359) 6.084 4.352 ( 4.529 -0.325 8.088) 9.275 4.867 ( -4.164 2.068 0.606) 4.689 4.890 ( -2.670 -2.678 -1.728) 4.157 4.969 ( -8.453 0.430 -4.217) 9.457 5.063 ( -5.126 2.087 -6.510) 8.545 5.126 ( -6.033 -2.672 -0.647) 6.630 5.227 ( 9.118 -3.304 2.863) 10.112 5.316 ( 7.861 -3.279 5.170) 9.964 5.467 ( 14.752 -8.328 9.091) 19.226 5.708 ( -4.227 0.838 -2.203) 4.839 5.797 ( 2.279 1.924 0.781) 3.083 6.220 ( -3.894 0.088 -0.562) 3.936 6.293 ( 1.602 -0.378 -3.612) 3.970 6.414 ( -3.362 4.872 2.213) 6.320 6.521 ( 4.496 4.543 1.794) 6.639 7.918 ( 0.247 1.769 0.781) 1.950 7.947 ( 1.927 2.230 4.111) 5.059 8.360 ( -6.020 4.615 -6.719) 10.133 8.524 ( 3.918 1.544 3.223) 5.303 8.944 ( -5.209 -1.589 0.230) 5.451 9.025 ( 5.184 -5.902 0.058) 7.856 9.189 ( 0.895 0.626 -6.133) 6.230 9.242 ( -2.830 0.361 -1.667) 3.305 9.359 ( 4.086 -0.655 3.676) 5.535 9.401 ( 3.326 -0.665 3.700) 5.020 9.852 ( 0.549 -1.338 -7.786) 7.919 9.906 ( -2.993 -1.388 3.544) 4.842 10.310 ( 0.397 5.452 2.898) 6.187 10.328 ( 5.324 7.029 -0.681) 8.844 10.627 ( -7.086 1.174 1.997) 7.456 10.737 ( 6.717 4.261 -1.689) 8.132 11.178 ( 0.382 -7.284 -3.309) 8.010 11.230 ( -3.081 -2.262 7.323) 8.260 11.351 ( 1.094 0.159 2.420) 2.660 11.380 ( 7.245 -0.225 -2.409) 7.638 11.752 ( -0.168 4.317 -2.890) 5.198 11.806 ( 4.151 7.034 -1.482) 8.301 12.319 ( -3.386 2.913 -6.920) 8.236 12.364 ( -6.037 2.595 4.426) 7.922 12.523 ( -6.911 3.006 -2.848) 8.056 12.669 ( 5.215 5.907 3.198) 8.504 12.822 ( -1.784 4.444 -1.030) 4.899 12.864 ( 1.807 1.299 1.578) 2.729 13.400 ( -2.976 -4.340 -2.011) 5.634 13.510 ( 1.966 -3.095 5.919) 6.963 13.548 ( 3.094 -0.297 -0.049) 3.109 13.565 ( 2.419 -0.169 -0.171) 2.430 14.482 ( -6.335 1.486 -5.922) 8.799 14.560 ( 0.615 -2.271 1.135) 2.612 14.952 ( -5.851 -6.185 -6.458) 10.686 15.032 ( 0.078 -6.334 4.135) 7.564 15.080 ( -8.790 -18.148 3.138) 20.407 15.221 ( 5.001 -9.922 0.356) 11.117 16.004 ( -6.187 -2.487 -7.076) 9.723 16.192 ( 9.481 3.185 3.995) 10.770 16.533 ( -1.786 2.315 1.893) 3.484 16.566 ( 2.247 2.375 1.674) 3.673 16.990 ( -3.291 -3.310 -2.523) 5.306 17.050 ( 1.268 -5.107 1.380) 5.439 17.321 ( -4.072 -4.535 -1.908) 6.387 17.428 ( 6.595 -2.086 1.438) 7.065 20.004 ( -4.866 -1.884 -5.208) 7.372 20.118 ( 3.364 0.975 2.719) 4.434 20.933 ( 0.211 7.597 -2.785) 8.094 20.956 ( -0.699 7.792 2.377) 8.176 22.163 ( -5.383 -7.852 5.713) 11.102 22.202 ( 7.048 -7.043 -4.462) 10.917 23.299 ( 0.727 5.169 -0.049) 5.221 23.307 ( 0.849 4.628 1.106) 4.834 27.091 ( -0.667 -13.534 -2.372) 13.757 27.136 ( 0.300 -17.195 4.034) 17.664 29.313 ( -3.083 13.303 -1.068) 13.697 29.380 ( 4.818 10.686 -0.049) 11.723 30.767 ( -5.043 -1.530 -2.466) 5.819 30.813 ( -0.845 -2.652 2.608) 3.814 31.021 ( -30.914 -7.891 -0.932) 31.919 31.322 ( 5.502 -3.420 -7.555) 9.952 31.533 ( 0.472 -4.492 3.170) 5.518 31.649 ( 19.401 -0.382 0.342) 19.408 32.002 ( -2.204 10.300 -2.449) 10.814 32.075 ( 7.696 6.698 -2.871) 10.599 32.782 ( -3.366 -10.358 -2.354) 11.143 32.869 ( 7.715 -9.695 -2.822) 12.707 33.653 ( 2.070 2.686 -4.253) 5.440 33.681 ( -2.431 2.720 6.720) 7.646 35.434 ( -2.001 -1.175 1.047) 2.546 35.446 ( 1.525 -1.185 -1.566) 2.486 35.778 ( 2.908 -3.172 -6.371) 7.688 35.819 ( -2.153 -3.335 7.390) 8.388 36.418 ( -3.932 -0.965 -4.532) 6.077 36.510 ( 1.325 0.372 3.524) 3.783 37.889 ( -29.168 7.684 9.106) 31.507 38.296 ( 28.643 12.483 -1.421) 31.278 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.510 -11.911 -16.276) 20.175 2.193 ( 1.405 -7.799 -19.608) 21.149 2.308 ( -10.129 -16.811 1.202) 19.663 2.336 ( 15.909 -13.694 5.903) 21.805 2.523 ( 8.134 -17.284 1.849) 19.191 2.659 ( 1.882 2.148 5.345) 6.060 2.772 ( -6.450 4.481 -7.138) 10.612 2.977 ( 2.001 -5.671 -4.805) 7.697 3.285 ( -4.282 4.939 -7.427) 9.894 3.404 ( -3.317 3.519 4.976) 6.938 3.521 ( 2.918 -0.901 4.070) 5.088 3.633 ( 6.690 7.935 4.933) 11.492 3.738 ( -3.235 -0.519 -2.284) 3.993 3.999 ( -0.925 -1.806 0.800) 2.181 4.142 ( 1.082 1.104 0.017) 1.546 4.422 ( 0.156 0.634 8.632) 8.657 4.713 ( -4.325 7.184 -0.463) 8.399 4.818 ( -11.791 0.250 -0.662) 11.812 4.949 ( -1.643 5.228 -2.810) 6.159 5.034 ( 4.295 -3.772 2.040) 6.070 5.101 ( -4.805 0.302 -0.398) 4.831 5.366 ( 8.784 -0.202 3.071) 9.307 5.442 ( 1.930 -2.368 1.763) 3.527 5.646 ( -0.049 -2.806 -2.056) 3.479 5.734 ( 1.432 -0.337 0.577) 1.580 5.859 ( 10.163 -7.312 4.250) 13.222 6.163 ( -8.068 2.533 -7.830) 11.525 6.208 ( -5.163 0.635 2.146) 5.627 6.400 ( 5.844 1.292 2.901) 6.651 6.464 ( 1.869 5.018 3.746) 6.535 7.881 ( 2.246 4.257 1.545) 5.055 7.907 ( -6.016 1.870 -1.847) 6.565 8.208 ( -2.707 4.355 -2.485) 5.698 8.536 ( 2.322 0.635 -0.707) 2.509 8.897 ( -2.898 0.687 -0.924) 3.118 9.113 ( -3.952 1.101 -1.186) 4.271 9.194 ( 3.137 -2.978 2.339) 4.918 9.305 ( 6.425 -6.697 -2.109) 9.518 9.422 ( 5.982 0.434 4.287) 7.373 9.465 ( 2.211 -1.700 1.072) 2.988 9.818 ( -4.659 0.081 -5.261) 7.027 9.891 ( -0.649 1.193 -1.267) 1.858 10.209 ( 1.630 8.655 0.376) 8.816 10.243 ( 1.329 3.589 2.236) 4.433 10.593 ( -0.726 2.566 4.943) 5.616 10.655 ( 4.581 6.975 -4.801) 9.628 11.191 ( -4.857 2.404 3.688) 6.555 11.319 ( 2.331 -6.337 -2.291) 7.130 11.390 ( 5.428 -0.161 -0.865) 5.498 11.455 ( 1.570 -0.831 -3.223) 3.680 11.683 ( 2.974 5.594 -1.599) 6.534 11.696 ( 4.660 1.148 1.641) 5.072 12.205 ( -4.401 2.817 -3.336) 6.199 12.338 ( -4.423 -3.023 3.002) 6.142 12.468 ( 0.253 -0.936 -1.717) 1.972 12.574 ( -1.048 5.933 0.885) 6.089 12.691 ( -4.669 6.428 0.126) 7.946 12.869 ( 2.790 2.006 2.274) 4.120 13.445 ( -4.640 -2.929 0.072) 5.487 13.488 ( -0.514 3.023 -0.206) 3.073 13.533 ( 1.350 -0.983 -1.262) 2.093 13.760 ( 10.486 -5.354 6.135) 13.276 14.344 ( -11.471 0.065 -11.488) 16.235 14.626 ( -0.044 -3.515 -0.606) 3.567 14.991 ( -2.190 -4.767 -0.783) 5.304 15.201 ( 3.112 -8.214 4.312) 9.785 15.384 ( -5.120 -10.706 7.327) 13.946 15.417 ( -0.749 -11.282 0.673) 11.327 16.006 ( -0.621 -5.633 -8.431) 10.159 16.197 ( 4.982 2.712 2.096) 6.048 16.464 ( -0.976 6.254 -1.286) 6.459 16.586 ( -1.725 -2.806 8.584) 9.194 17.026 ( -3.311 -4.742 -1.728) 6.036 17.158 ( 0.622 -4.796 1.507) 5.066 17.384 ( -1.356 -4.792 -2.433) 5.543 17.510 ( 3.775 -1.745 0.427) 4.181 20.014 ( -2.510 -5.757 -5.229) 8.172 20.113 ( -1.420 0.530 -0.221) 1.532 20.757 ( 0.636 10.218 -1.533) 10.352 20.787 ( -0.297 10.956 1.557) 11.071 22.344 ( -3.469 -12.106 5.343) 13.680 22.390 ( 6.124 -10.335 -3.935) 12.641 23.182 ( -1.345 8.227 2.853) 8.811 23.222 ( 3.223 6.825 -0.447) 7.561 27.366 ( -1.429 -19.352 -4.053) 19.823 27.575 ( -0.748 -24.976 11.121) 27.350 28.954 ( -5.156 20.820 -1.811) 21.525 29.171 ( 7.248 16.891 -1.780) 18.467 30.783 ( -6.699 -8.387 -3.878) 11.413 30.895 ( -1.883 -5.734 3.670) 7.064 31.002 ( -15.966 -9.488 -1.566) 18.639 31.360 ( -0.638 -2.913 -5.671) 6.407 31.643 ( 4.872 2.617 1.500) 5.730 31.686 ( 3.645 3.346 3.390) 5.998 31.785 ( -6.102 6.500 0.460) 8.928 32.092 ( 20.558 0.432 -9.800) 22.778 32.936 ( -0.591 -10.314 -5.877) 11.886 33.088 ( 4.087 -10.422 -1.465) 11.290 33.577 ( 0.209 5.262 -0.643) 5.305 33.637 ( -0.803 4.107 4.880) 6.429 35.449 ( -1.349 -1.581 -0.315) 2.102 35.477 ( 0.591 -1.933 -0.593) 2.107 35.833 ( 3.168 -3.416 -4.951) 6.798 35.915 ( -1.415 -4.062 5.846) 7.258 36.407 ( -4.099 -3.385 -1.498) 5.523 36.512 ( -1.449 0.446 0.164) 1.525 37.609 ( -20.908 8.267 13.746) 26.352 38.171 ( 21.305 19.325 -5.659) 29.316 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.936 -6.689 -11.451) 13.294 2.162 ( 2.999 -1.961 -10.616) 11.205 2.282 ( -11.747 1.664 -7.561) 14.069 2.630 ( 1.165 -0.064 5.988) 6.100 2.672 ( 2.430 -5.228 -2.058) 6.122 2.706 ( -6.424 -9.396 0.495) 11.393 2.979 ( -2.931 -8.718 2.829) 9.623 3.100 ( 2.353 -2.068 2.612) 4.079 3.151 ( 5.510 -6.182 -10.749) 13.569 3.485 ( 7.045 -1.012 3.884) 8.108 3.557 ( 1.428 -5.523 0.202) 5.708 3.679 ( 3.301 3.241 -1.556) 4.881 3.748 ( 7.684 -6.574 8.158) 12.993 3.919 ( -5.933 4.826 0.318) 7.655 4.158 ( 5.879 2.283 0.031) 6.306 4.419 ( -5.371 -0.041 2.206) 5.807 4.613 ( 0.241 2.483 -1.268) 2.798 4.727 ( -11.103 0.179 1.524) 11.208 4.819 ( 1.422 7.144 -0.237) 7.288 5.036 ( -2.455 2.890 -0.164) 3.795 5.132 ( 7.992 0.336 5.317) 9.605 5.371 ( -7.415 0.792 -3.724) 8.335 5.457 ( 7.545 3.620 2.945) 8.871 5.652 ( -2.152 1.393 -0.291) 2.580 5.757 ( 2.193 -1.949 -2.451) 3.823 6.005 ( -8.591 0.751 -1.519) 8.756 6.044 ( 3.834 -1.839 -0.200) 4.257 6.247 ( 1.035 -4.466 0.180) 4.588 6.431 ( 4.793 1.133 1.458) 5.136 6.458 ( -0.508 -0.313 5.537) 5.569 7.783 ( -3.492 2.786 -0.794) 4.537 7.865 ( -0.968 0.554 -0.028) 1.116 8.101 ( -4.498 3.553 -2.679) 6.327 8.511 ( 0.385 1.714 -4.125) 4.484 8.948 ( 6.626 -3.452 4.094) 8.519 9.048 ( -3.973 0.399 -0.733) 4.059 9.273 ( 2.979 -0.633 2.518) 3.952 9.411 ( 6.220 0.893 -1.127) 6.384 9.473 ( -1.480 1.537 -2.178) 3.049 9.479 ( 0.356 -0.938 3.202) 3.355 9.757 ( -4.505 -3.591 -4.666) 7.414 9.891 ( 0.957 0.003 2.264) 2.458 10.064 ( -0.157 7.450 0.334) 7.459 10.254 ( 2.331 -2.039 3.775) 4.882 10.521 ( 3.023 6.677 -2.487) 7.740 10.544 ( -2.227 4.463 -3.296) 5.978 11.148 ( -2.315 0.785 1.380) 2.807 11.325 ( 4.662 5.304 -4.754) 8.513 11.423 ( 1.649 -3.235 -1.796) 4.051 11.487 ( -2.622 -4.458 2.179) 5.612 11.615 ( 4.877 4.961 -1.102) 7.043 11.810 ( 4.318 -4.710 2.467) 6.849 12.139 ( -3.348 -0.901 -0.056) 3.468 12.395 ( -2.313 6.893 -3.651) 8.136 12.455 ( -0.523 -8.062 1.841) 8.286 12.491 ( -3.851 1.605 -0.592) 4.214 12.629 ( 1.513 -0.831 4.895) 5.190 12.832 ( 3.082 6.540 1.511) 7.387 13.401 ( 1.546 2.608 -0.887) 3.159 13.481 ( -5.200 -1.873 1.966) 5.866 13.598 ( -0.546 -6.298 -1.577) 6.516 13.877 ( 5.559 4.238 2.175) 7.321 14.232 ( -4.464 -2.781 -7.755) 9.371 14.650 ( -2.281 -0.828 -0.678) 2.520 15.092 ( 0.211 -7.063 0.888) 7.122 15.393 ( 2.890 -6.504 3.309) 7.849 15.406 ( -2.957 4.686 2.080) 5.918 15.587 ( 1.150 -6.191 3.144) 7.038 16.065 ( -3.138 -4.205 -7.104) 8.832 16.232 ( 3.064 1.144 3.148) 4.539 16.332 ( 0.129 1.350 -4.174) 4.389 16.686 ( -1.692 -2.285 9.353) 9.775 17.061 ( -2.510 -2.048 -0.613) 3.297 17.251 ( 0.508 -4.287 1.619) 4.611 17.407 ( -0.755 -0.227 -3.266) 3.360 17.560 ( 1.336 -1.586 0.436) 2.119 20.089 ( -2.517 -3.987 -2.392) 5.287 20.112 ( -1.543 -5.646 -3.010) 6.582 20.569 ( -1.086 10.634 2.416) 10.959 20.625 ( 2.339 7.352 -1.045) 7.785 22.571 ( -0.804 -11.619 2.338) 11.879 22.604 ( 3.281 -10.999 -1.641) 11.595 23.026 ( -1.787 9.360 2.538) 9.862 23.105 ( 2.098 8.184 -0.494) 8.463 27.699 ( -1.252 -21.409 -3.557) 21.738 28.056 ( -2.816 -20.830 12.292) 24.350 28.528 ( -4.780 20.263 -0.415) 20.824 28.888 ( 8.201 19.009 -4.800) 21.252 30.905 ( -2.853 -9.818 -1.860) 10.393 31.016 ( -4.029 -6.970 3.111) 8.631 31.065 ( -4.226 -6.753 0.191) 7.969 31.351 ( -0.680 -0.489 -5.740) 5.801 31.500 ( 2.255 10.937 1.274) 11.240 31.559 ( -1.460 7.833 -1.905) 8.192 31.863 ( -3.570 -7.200 7.869) 11.248 32.173 ( 15.390 0.945 -10.109) 18.437 33.068 ( 0.176 -7.998 -4.664) 9.260 33.270 ( 1.398 -8.207 -1.772) 8.512 33.467 ( -1.171 6.895 2.677) 7.488 33.584 ( 0.439 3.855 2.229) 4.475 35.462 ( -0.965 -1.062 -0.357) 1.479 35.511 ( 0.339 -1.615 -0.416) 1.701 35.883 ( 2.503 -1.941 -2.293) 3.911 35.985 ( -0.307 -1.603 2.154) 2.703 36.445 ( -6.144 -3.112 5.067) 8.550 36.492 ( 0.318 -1.240 -5.670) 5.813 37.444 ( -11.212 4.453 11.960) 16.988 37.944 ( 12.565 14.604 -7.339) 20.616 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.000 0.000 0.000) 0.000 2.140 ( -0.000 0.000 0.000) 0.000 2.214 ( 0.000 -0.000 0.000) 0.000 2.630 ( -0.000 0.000 0.000) 0.000 2.746 ( -0.000 0.000 0.000) 0.000 2.761 ( -0.000 -0.000 -0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.500 ( -0.000 0.000 0.000) 0.000 3.582 ( -0.000 -0.000 -0.000) 0.000 3.754 ( -0.000 0.000 0.000) 0.000 3.838 ( -0.000 0.000 0.000) 0.000 3.901 ( -0.000 0.000 0.000) 0.000 4.152 ( -0.000 0.000 0.000) 0.000 4.395 ( -0.000 0.000 -0.000) 0.000 4.619 ( 0.000 -0.000 0.000) 0.000 4.629 ( -0.000 0.000 0.000) 0.000 4.769 ( -0.000 0.000 0.000) 0.000 4.998 ( -0.000 0.000 0.000) 0.000 5.233 ( -0.000 0.000 -0.000) 0.000 5.237 ( 0.000 -0.000 0.000) 0.000 5.464 ( -0.000 0.000 0.000) 0.000 5.620 ( -0.000 0.000 -0.000) 0.000 5.778 ( -0.000 0.000 0.000) 0.000 5.957 ( -0.000 0.000 0.000) 0.000 6.070 ( -0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 -0.000) 0.000 6.452 ( 0.000 0.000 -0.000) 0.000 6.478 ( -0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 7.852 ( -0.000 0.000 -0.000) 0.000 8.029 ( -0.000 0.000 0.000) 0.000 8.475 ( -0.000 0.000 0.000) 0.000 9.028 ( -0.000 0.000 0.000) 0.000 9.059 ( -0.000 0.000 0.000) 0.000 9.293 ( -0.000 0.000 0.000) 0.000 9.400 ( -0.000 -0.000 0.000) 0.000 9.420 ( 0.000 0.000 -0.000) 0.000 9.490 ( -0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 9.851 ( -0.000 -0.000 -0.000) 0.000 10.004 ( -0.000 0.000 0.000) 0.000 10.374 ( -0.000 0.000 -0.000) 0.000 10.403 ( 0.000 -0.000 0.000) 0.000 10.458 ( 0.000 0.000 -0.000) 0.000 11.138 ( -0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 -0.000) 0.000 11.459 ( -0.000 0.000 0.000) 0.000 11.543 ( 0.000 0.000 -0.000) 0.000 11.569 ( -0.000 0.000 0.000) 0.000 11.881 ( -0.000 0.000 0.000) 0.000 12.196 ( 0.000 -0.000 0.000) 0.000 12.241 ( -0.000 0.000 -0.000) 0.000 12.432 ( -0.000 0.000 0.000) 0.000 12.610 ( -0.000 0.000 0.000) 0.000 12.691 ( -0.000 0.000 0.000) 0.000 12.718 ( -0.000 0.000 0.000) 0.000 13.390 ( -0.000 0.000 -0.000) 0.000 13.481 ( -0.000 0.000 0.000) 0.000 13.692 ( -0.000 -0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 14.245 ( -0.000 0.000 0.000) 0.000 14.641 ( -0.000 0.000 0.000) 0.000 15.221 ( -0.000 0.000 0.000) 0.000 15.279 ( 0.000 -0.000 0.000) 0.000 15.482 ( -0.000 0.000 0.000) 0.000 15.682 ( -0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.207 ( -0.000 -0.000 -0.000) 0.000 16.373 ( -0.000 0.000 0.000) 0.000 16.722 ( 0.000 -0.000 -0.000) 0.000 17.064 ( -0.000 0.000 0.000) 0.000 17.317 ( -0.000 0.000 0.000) 0.000 17.373 ( -0.000 0.000 0.000) 0.000 17.583 ( -0.000 0.000 0.000) 0.000 20.099 ( -0.000 0.000 0.000) 0.000 20.186 ( -0.000 0.000 0.000) 0.000 20.450 ( -0.000 -0.000 -0.000) 0.000 20.563 ( -0.000 0.000 0.000) 0.000 22.706 ( -0.000 0.000 -0.000) 0.000 22.766 ( -0.000 -0.000 0.000) 0.000 22.890 ( -0.000 0.000 0.000) 0.000 23.009 ( -0.000 0.000 -0.000) 0.000 28.062 ( 0.000 0.000 0.000) 0.000 28.066 ( -0.000 -0.000 -0.000) 0.000 28.437 ( -0.000 -0.000 0.000) 0.000 28.638 ( 0.000 0.000 0.000) 0.000 30.997 ( -0.000 0.000 0.000) 0.000 31.070 ( 0.000 0.000 0.000) 0.000 31.144 ( 0.000 0.000 -0.000) 0.000 31.325 ( -0.000 -0.000 -0.000) 0.000 31.398 ( 0.000 0.000 0.000) 0.000 31.457 ( -0.000 0.000 0.000) 0.000 31.949 ( 0.000 0.000 0.000) 0.000 32.187 ( -0.000 0.000 0.000) 0.000 33.143 ( -0.000 0.000 0.000) 0.000 33.360 ( -0.000 -0.000 -0.000) 0.000 33.384 ( 0.000 0.000 0.000) 0.000 33.549 ( -0.000 0.000 0.000) 0.000 35.467 ( -0.000 0.000 0.000) 0.000 35.527 ( 0.000 0.000 -0.000) 0.000 35.908 ( -0.000 0.000 0.000) 0.000 35.998 ( -0.000 0.000 0.000) 0.000 36.458 ( -0.000 0.000 0.000) 0.000 36.499 ( 0.000 0.000 -0.000) 0.000 37.399 ( -0.000 0.000 0.000) 0.000 37.829 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 5.281 0.000 -22.029) 22.653 1.629 ( 15.677 0.000 -24.982) 29.493 1.866 ( 13.075 0.000 15.334) 20.152 2.115 ( 12.259 0.000 15.601) 19.841 2.435 ( 9.493 0.000 -27.724) 29.304 2.731 ( -5.295 -0.000 7.325) 9.038 3.003 ( -1.058 -0.000 -0.054) 1.059 3.093 ( -0.077 -0.000 -1.895) 1.896 3.388 ( -17.251 -0.000 -2.982) 17.507 3.485 ( -11.444 -0.000 3.023) 11.837 3.553 ( -5.516 -0.000 -3.476) 6.520 3.624 ( 1.362 0.000 1.024) 1.704 3.816 ( 1.495 0.000 0.858) 1.723 3.825 ( 2.043 0.000 5.261) 5.644 4.166 ( -1.684 -0.000 -1.538) 2.280 4.398 ( -0.987 -0.000 4.921) 5.019 4.755 ( -12.090 -0.000 -1.342) 12.164 4.873 ( -2.172 -0.000 2.091) 3.015 4.895 ( -2.360 -0.000 -3.562) 4.273 4.968 ( -1.689 -0.000 -8.031) 8.207 5.108 ( -1.927 -0.000 3.940) 4.386 5.307 ( 9.829 0.000 2.365) 10.109 5.437 ( 14.356 0.000 7.449) 16.174 5.565 ( 11.107 0.000 11.896) 16.275 5.674 ( -1.037 -0.000 -2.230) 2.459 5.806 ( -4.173 -0.000 -0.919) 4.273 6.206 ( -1.864 -0.000 1.344) 2.298 6.248 ( -2.687 -0.000 -8.215) 8.643 6.493 ( 4.047 0.000 5.767) 7.045 6.600 ( 2.801 0.000 0.975) 2.966 7.923 ( -2.856 -0.000 0.043) 2.856 8.046 ( 5.449 0.000 6.994) 8.867 8.355 ( -2.594 -0.000 -3.392) 4.271 8.528 ( -4.358 -0.000 -2.953) 5.264 8.935 ( -4.337 -0.000 -1.021) 4.455 8.971 ( 4.565 0.000 5.440) 7.101 9.180 ( 6.016 0.000 -6.997) 9.228 9.214 ( 0.301 0.000 -4.855) 4.864 9.411 ( 3.736 0.000 5.787) 6.888 9.445 ( 2.802 0.000 3.732) 4.666 9.822 ( 4.809 0.000 -7.877) 9.229 9.873 ( -4.838 -0.000 1.621) 5.102 10.364 ( -0.995 -0.000 0.909) 1.348 10.406 ( -2.628 -0.000 -7.467) 7.916 10.655 ( 4.697 0.000 12.839) 13.671 10.811 ( 5.611 0.000 -3.897) 6.832 11.093 ( 1.798 0.000 -1.324) 2.233 11.249 ( -2.502 -0.000 10.948) 11.230 11.388 ( 2.265 0.000 3.656) 4.301 11.430 ( 8.790 0.000 -3.085) 9.315 11.775 ( 2.440 0.000 -2.584) 3.554 11.904 ( 7.193 0.000 -7.448) 10.355 12.253 ( -7.996 -0.000 -7.454) 10.931 12.349 ( -9.005 -0.000 4.138) 9.910 12.489 ( -6.680 -0.000 -1.943) 6.957 12.736 ( -5.587 -0.000 2.007) 5.937 12.891 ( 0.099 0.000 2.612) 2.614 12.914 ( 5.187 0.000 -0.817) 5.250 13.358 ( -0.230 -0.000 1.050) 1.075 13.527 ( -2.137 -0.000 1.268) 2.485 13.536 ( 5.845 0.000 4.235) 7.218 13.594 ( 4.514 0.000 0.128) 4.515 14.506 ( -2.025 -0.000 -0.449) 2.074 14.514 ( -23.077 -0.000 -10.553) 25.376 14.552 ( -4.256 -0.000 -2.401) 4.887 14.955 ( 2.646 0.000 -1.668) 3.128 14.983 ( -1.108 -0.000 5.544) 5.654 15.158 ( 3.083 0.000 -1.811) 3.576 15.875 ( -5.794 -0.000 -8.922) 10.638 16.338 ( 10.019 0.000 2.892) 10.428 16.580 ( 0.562 0.000 3.741) 3.783 16.608 ( 1.733 0.000 1.018) 2.010 16.948 ( -1.882 -0.000 0.290) 1.904 16.988 ( -0.120 -0.000 -0.901) 0.909 17.231 ( -3.310 -0.000 -1.721) 3.731 17.473 ( 6.902 0.000 0.685) 6.936 19.910 ( -5.473 -0.000 -6.174) 8.251 20.173 ( 2.174 0.000 1.828) 2.841 20.989 ( -0.037 -0.000 -3.005) 3.005 21.035 ( -1.312 -0.000 2.138) 2.508 22.082 ( -4.501 -0.000 6.130) 7.604 22.173 ( 7.374 0.000 -3.084) 7.993 23.358 ( 4.117 0.000 -3.288) 5.269 23.362 ( -1.774 -0.000 4.414) 4.757 26.964 ( -0.120 -0.000 -0.188) 0.223 26.969 ( -0.040 -0.000 0.147) 0.152 29.432 ( -0.437 -0.000 -0.785) 0.899 29.507 ( 4.477 0.000 -0.806) 4.549 30.576 ( -31.281 -0.000 -8.040) 32.298 30.762 ( -1.963 -0.000 0.585) 2.048 30.822 ( -4.091 -0.000 3.252) 5.226 31.263 ( 0.206 0.000 -7.401) 7.404 31.507 ( -0.508 -0.000 3.584) 3.620 31.812 ( 20.963 0.000 -2.621) 21.126 32.099 ( 4.772 0.000 -9.373) 10.518 32.158 ( 0.693 0.000 -0.504) 0.856 32.638 ( -1.685 -0.000 -1.690) 2.387 32.818 ( 12.570 0.000 -8.966) 15.440 33.672 ( 2.792 0.000 -4.165) 5.015 33.727 ( -3.456 -0.000 8.682) 9.344 35.413 ( -2.914 -0.000 2.045) 3.560 35.438 ( 2.288 0.000 -2.828) 3.638 35.738 ( 3.301 0.000 -5.358) 6.293 35.812 ( -2.210 -0.000 7.298) 7.626 36.348 ( -4.405 -0.000 -4.889) 6.581 36.536 ( -1.194 -0.000 2.529) 2.796 37.801 ( -26.238 -0.000 13.836) 29.662 38.642 ( 23.881 0.000 3.876) 24.193 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 9.956 -13.618 -18.127) 24.762 1.766 ( 14.156 -16.630 -24.132) 32.547 2.102 ( 4.602 -4.938 7.857) 10.358 2.376 ( 15.516 -8.379 13.104) 21.970 2.402 ( 14.681 -3.232 -19.602) 24.703 2.703 ( -5.207 -0.338 1.937) 5.566 2.830 ( -6.434 12.297 -5.785) 15.036 2.971 ( -0.109 6.508 -4.952) 8.178 3.269 ( -8.586 -0.213 -0.848) 8.631 3.400 ( -9.936 -0.802 3.142) 10.452 3.581 ( 1.932 -0.672 4.398) 4.851 3.647 ( -2.522 -3.908 -2.657) 5.357 3.779 ( -0.899 3.701 3.626) 5.258 3.916 ( -3.063 -4.044 2.051) 5.472 4.165 ( 3.690 -0.366 -0.126) 3.711 4.417 ( -5.942 -3.007 2.849) 7.243 4.689 ( -14.173 -1.676 3.475) 14.689 4.808 ( -4.096 5.352 0.682) 6.774 4.903 ( 0.431 -2.492 -2.961) 3.894 5.008 ( 3.634 -5.525 -0.686) 6.648 5.104 ( -0.985 1.904 4.735) 5.198 5.383 ( 5.426 -0.327 0.883) 5.507 5.559 ( 10.835 1.680 3.061) 11.384 5.639 ( 2.877 1.147 0.406) 3.124 5.704 ( -4.616 -1.192 0.960) 4.864 5.836 ( 7.601 -5.944 5.573) 11.143 6.145 ( -1.287 4.329 -6.740) 8.113 6.207 ( -1.717 0.788 2.035) 2.777 6.517 ( 4.522 3.937 3.902) 7.153 6.581 ( 1.407 4.115 2.180) 4.864 7.864 ( -4.932 1.842 -5.042) 7.290 8.053 ( 4.374 7.383 5.118) 9.992 8.275 ( -2.368 4.616 -0.035) 5.188 8.480 ( -6.334 -2.529 -6.369) 9.332 8.896 ( -2.101 -0.071 2.663) 3.392 9.078 ( -1.407 -2.673 2.712) 4.060 9.191 ( 2.696 0.406 -1.535) 3.129 9.237 ( 10.432 -3.533 -3.021) 11.421 9.455 ( 0.834 -0.364 0.461) 1.020 9.505 ( 4.711 -0.662 5.468) 7.247 9.805 ( 2.191 1.765 -4.207) 5.061 9.866 ( -0.954 -1.603 -2.553) 3.162 10.275 ( -4.973 3.604 -8.003) 10.087 10.332 ( -1.338 2.527 0.188) 2.866 10.718 ( 4.291 6.012 10.885) 13.155 10.786 ( 5.701 4.978 -5.577) 9.401 11.197 ( 0.691 -7.165 2.158) 7.515 11.249 ( -2.244 2.978 6.528) 7.518 11.418 ( 1.105 0.146 2.161) 2.432 11.491 ( 10.064 -0.141 -2.083) 10.279 11.778 ( 1.119 7.211 -6.982) 10.099 11.804 ( 9.169 3.728 -1.330) 9.987 12.173 ( -5.042 -0.510 -6.181) 7.993 12.310 ( -5.813 1.733 5.946) 8.494 12.431 ( -1.083 -1.890 0.458) 2.226 12.662 ( -6.980 4.690 -1.587) 8.558 12.773 ( -2.712 8.613 -2.983) 9.510 12.901 ( -1.172 0.115 2.680) 2.927 13.370 ( -1.731 -0.596 2.165) 2.835 13.509 ( -1.664 0.121 0.732) 1.822 13.574 ( 2.403 1.727 -2.728) 4.025 13.756 ( 10.129 -8.271 5.600) 14.226 14.233 ( -9.501 3.455 -6.562) 12.053 14.561 ( -0.710 -2.569 -0.150) 2.670 14.798 ( -5.471 -20.402 1.215) 21.157 15.061 ( 0.023 -11.060 3.902) 11.728 15.099 ( -0.528 -10.696 5.836) 12.196 15.230 ( -0.571 -7.721 -2.167) 8.040 15.840 ( -2.919 -5.441 -9.926) 11.690 16.340 ( 4.796 5.733 -0.090) 7.475 16.549 ( -0.521 3.792 3.846) 5.426 16.626 ( 1.748 3.197 3.230) 4.869 16.927 ( -1.467 -2.077 -0.349) 2.567 17.065 ( -0.314 -5.970 0.627) 6.011 17.265 ( -0.838 -5.528 -1.592) 5.814 17.524 ( 4.521 -0.494 -0.767) 4.612 19.869 ( -3.952 -3.653 -6.130) 8.157 20.141 ( -2.088 3.586 -1.381) 4.373 20.906 ( 0.579 6.790 -2.750) 7.349 20.961 ( -1.702 7.560 1.759) 7.946 22.165 ( -3.206 -8.108 6.309) 10.762 22.271 ( 6.630 -6.208 -2.710) 9.478 23.318 ( -0.176 5.487 1.990) 5.839 23.338 ( 1.991 3.876 -0.368) 4.374 27.066 ( -0.105 -11.408 -1.113) 11.463 27.180 ( -2.064 -21.110 5.370) 21.880 29.250 ( -3.119 16.330 -2.256) 16.778 29.449 ( 5.286 9.827 -2.224) 11.378 30.465 ( -13.183 -12.194 -5.904) 18.903 30.792 ( -3.087 -4.311 1.959) 5.652 30.842 ( -2.812 -2.835 3.374) 5.227 31.260 ( -0.950 -3.921 -5.274) 6.640 31.567 ( -2.781 -5.479 3.776) 7.212 31.858 ( 5.809 6.779 -0.168) 8.929 31.960 ( 3.665 11.296 -6.587) 13.580 32.171 ( 13.420 -0.673 -10.727) 17.194 32.724 ( 1.252 -9.230 -4.687) 10.427 32.934 ( 7.938 -7.967 -7.967) 13.782 33.651 ( 2.977 2.552 -2.982) 4.927 33.723 ( -3.608 2.793 8.657) 9.785 35.412 ( -2.001 -1.076 0.987) 2.477 35.450 ( 1.488 -1.137 -1.814) 2.607 35.770 ( 4.360 -3.309 -5.221) 7.564 35.863 ( -3.008 -3.097 6.813) 8.065 36.309 ( -4.056 -2.252 -3.131) 5.597 36.510 ( -4.717 1.257 0.351) 4.894 37.671 ( -18.318 5.120 19.097) 26.952 38.647 ( 15.781 17.128 -1.043) 23.313 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 13.033 -9.719 -13.360) 21.043 1.982 ( 6.342 -10.269 -21.873) 24.983 2.116 ( -15.564 0.417 1.186) 15.614 2.536 ( -10.539 -4.186 -6.456) 13.049 2.631 ( 5.944 -6.831 -6.260) 11.008 2.690 ( 15.996 -6.287 4.470) 17.759 2.747 ( 5.079 -2.706 0.239) 5.760 3.011 ( 10.105 -11.457 -4.023) 15.798 3.203 ( -1.150 4.617 5.491) 7.265 3.407 ( -3.088 -3.920 2.520) 5.591 3.621 ( 4.255 2.840 4.130) 6.575 3.688 ( -1.310 -3.405 0.162) 3.652 3.739 ( -1.334 -0.233 1.233) 1.832 3.932 ( -3.975 -1.247 0.634) 4.214 4.222 ( 4.141 -0.189 0.801) 4.222 4.408 ( -5.846 0.923 1.555) 6.120 4.633 ( -9.495 -0.041 5.097) 10.776 4.694 ( -0.389 3.599 0.181) 3.624 4.883 ( -3.972 1.707 -2.770) 5.135 5.071 ( -0.900 2.209 2.421) 3.399 5.173 ( 2.730 -5.006 5.790) 8.127 5.351 ( -4.747 3.455 -0.777) 5.922 5.580 ( 1.710 2.046 -1.009) 2.851 5.656 ( 2.852 0.961 -1.330) 3.291 5.717 ( 2.521 -2.225 -0.192) 3.368 5.985 ( -2.167 4.486 -5.800) 7.646 6.040 ( 7.148 -2.354 2.618) 7.968 6.196 ( -1.209 -0.363 2.512) 2.812 6.495 ( 2.990 2.667 1.044) 4.140 6.539 ( 0.943 3.503 6.306) 7.275 7.763 ( -2.812 1.458 -4.530) 5.527 7.972 ( 3.835 6.872 4.684) 9.159 8.144 ( -4.833 6.019 -1.279) 7.825 8.438 ( -6.724 -3.003 -9.077) 11.688 8.952 ( 2.863 -3.047 4.378) 6.053 9.044 ( -2.382 2.613 0.491) 3.570 9.275 ( 4.021 -3.935 1.570) 5.841 9.366 ( 3.316 -3.948 -2.618) 5.783 9.448 ( -1.129 -0.583 -1.466) 1.940 9.570 ( 5.216 2.595 5.164) 7.785 9.729 ( -2.161 4.109 -2.428) 5.239 9.880 ( 1.444 -2.395 -3.588) 4.549 10.154 ( -1.386 3.499 -4.169) 5.616 10.298 ( 1.596 0.811 3.335) 3.785 10.632 ( -1.684 8.234 0.732) 8.436 10.670 ( 4.558 8.152 -5.216) 10.697 11.172 ( -2.679 2.849 2.266) 4.520 11.336 ( -1.119 -4.202 1.043) 4.472 11.435 ( -0.604 -1.152 0.597) 1.431 11.453 ( 4.442 7.392 -8.009) 11.769 11.689 ( 3.414 -1.007 -1.245) 3.771 11.860 ( 12.360 2.443 3.413) 13.053 12.127 ( -2.498 0.098 -1.076) 2.721 12.272 ( -5.491 -3.431 1.689) 6.691 12.482 ( -1.420 6.479 -3.804) 7.646 12.534 ( -1.109 0.479 2.402) 2.689 12.664 ( 0.232 0.504 4.277) 4.312 12.894 ( -2.374 0.408 1.455) 2.814 13.384 ( -4.905 -2.473 2.569) 6.064 13.494 ( 1.155 5.476 -3.697) 6.707 13.536 ( 1.680 -2.354 2.070) 3.557 14.016 ( 9.760 -9.009 2.202) 13.463 14.087 ( -3.463 5.532 -2.644) 7.042 14.597 ( -1.290 -1.814 -2.214) 3.139 14.996 ( 2.087 -6.605 0.940) 6.990 15.266 ( -2.169 -9.218 3.531) 10.107 15.389 ( -2.172 -9.288 5.341) 10.932 15.419 ( -1.964 -13.309 5.301) 14.460 15.897 ( -1.277 -8.409 -7.643) 11.435 16.268 ( 3.243 3.700 -3.707) 6.160 16.457 ( -0.112 8.176 2.757) 8.629 16.633 ( -4.245 -3.657 7.552) 9.403 16.991 ( -0.421 -4.022 0.979) 4.161 17.167 ( -0.826 -5.473 0.526) 5.559 17.347 ( 0.381 -4.117 -2.198) 4.682 17.550 ( 1.951 -0.573 -1.535) 2.548 19.914 ( -1.987 -7.576 -5.729) 9.704 20.046 ( -4.674 1.003 -2.705) 5.493 20.757 ( 1.038 9.136 -0.974) 9.247 20.794 ( -0.610 9.970 0.816) 10.022 22.363 ( -1.999 -11.929 5.471) 13.275 22.444 ( 5.303 -9.186 -2.760) 10.960 23.195 ( -1.639 8.755 3.052) 9.415 23.250 ( 1.289 6.796 -1.689) 7.121 27.327 ( 0.569 -17.993 -1.674) 18.080 27.642 ( -8.031 -26.825 10.883) 30.042 28.873 ( -1.674 20.813 -1.495) 20.933 29.225 ( 4.746 16.541 -5.557) 18.083 30.666 ( 1.188 -14.374 0.447) 14.430 30.882 ( -2.646 -6.493 3.414) 7.799 30.923 ( -1.942 -6.463 3.453) 7.580 31.307 ( 0.250 -3.103 -2.179) 3.800 31.647 ( -6.300 -0.109 0.379) 6.312 31.737 ( 3.617 9.670 -3.798) 11.001 31.762 ( 0.451 3.525 4.034) 5.376 32.226 ( 14.570 -0.224 -16.534) 22.039 32.880 ( 1.832 -9.807 -5.106) 11.207 33.097 ( 1.437 -9.494 -4.650) 10.669 33.594 ( 2.264 5.111 0.043) 5.590 33.676 ( -2.194 4.268 5.860) 7.574 35.429 ( -0.893 -1.591 0.274) 1.845 35.478 ( 0.780 -1.875 -0.928) 2.232 35.845 ( 4.221 -3.462 -3.715) 6.603 35.934 ( -2.531 -3.748 2.809) 5.324 36.339 ( -4.825 -5.220 1.894) 7.356 36.443 ( -4.861 0.415 -2.537) 5.499 37.561 ( -10.506 7.218 20.750) 24.352 38.335 ( 10.443 22.703 -10.377) 27.059 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 11.831 -4.982 -4.386) 13.566 2.048 ( -4.662 -6.913 -1.258) 8.432 2.074 ( 0.378 -9.056 -13.092) 15.924 2.492 ( -11.531 -6.508 -5.072) 14.179 2.679 ( -1.920 -0.766 0.680) 2.176 2.798 ( 5.474 -1.300 4.741) 7.358 3.000 ( 5.832 -6.530 0.912) 8.802 3.145 ( 2.910 5.981 5.553) 8.665 3.303 ( 14.453 -7.399 -2.852) 16.486 3.541 ( -3.193 -11.363 -1.423) 11.889 3.561 ( 0.357 5.473 0.244) 5.491 3.698 ( 2.250 1.275 0.505) 2.635 3.844 ( -1.258 -4.967 4.082) 6.551 3.906 ( -1.793 2.565 -1.814) 3.618 4.165 ( -4.324 3.925 0.050) 5.840 4.414 ( 6.803 -1.297 -0.415) 6.938 4.615 ( -3.973 -1.094 4.341) 5.986 4.670 ( 0.184 2.477 2.936) 3.845 4.764 ( -4.115 3.169 -5.173) 7.331 5.037 ( 0.156 2.539 2.380) 3.484 5.159 ( -9.144 2.279 -2.088) 9.653 5.353 ( 4.932 0.708 9.294) 10.545 5.463 ( -6.793 5.096 -3.320) 9.118 5.642 ( -0.167 0.944 -1.298) 1.614 5.754 ( 2.816 -0.477 -2.886) 4.060 5.937 ( 1.757 -2.657 0.917) 3.315 6.081 ( 0.998 1.451 -0.659) 1.880 6.237 ( 0.376 -3.373 -4.523) 5.655 6.489 ( 0.198 0.665 1.448) 1.605 6.521 ( 0.350 3.736 4.943) 6.206 7.737 ( 0.864 -0.379 -1.739) 1.978 7.915 ( 2.287 4.208 1.554) 5.035 8.056 ( 1.645 1.302 3.842) 4.377 8.403 ( -5.784 -4.005 -5.366) 8.849 9.002 ( -3.627 0.187 0.844) 3.728 9.039 ( -0.725 -2.372 -0.214) 2.490 9.278 ( -1.275 1.144 -5.435) 5.699 9.386 ( -3.607 0.202 -2.671) 4.493 9.462 ( 1.238 1.960 0.938) 2.501 9.543 ( 3.070 4.418 3.079) 6.199 9.698 ( 3.292 -3.732 -1.465) 5.187 9.939 ( 0.950 -3.640 -1.195) 3.947 10.068 ( 2.227 6.137 3.505) 7.410 10.374 ( 2.196 -2.335 3.281) 4.588 10.459 ( -0.065 6.593 -1.734) 6.818 10.522 ( 0.817 7.237 -3.705) 8.171 11.137 ( -1.413 0.373 0.957) 1.747 11.288 ( -2.540 3.036 -5.063) 6.427 11.415 ( -0.089 -2.749 -2.381) 3.638 11.467 ( -2.400 -2.489 1.085) 3.624 11.691 ( 7.494 4.891 -1.630) 9.096 11.939 ( 5.932 1.676 3.180) 6.936 12.131 ( 0.596 -3.296 3.581) 4.903 12.346 ( -1.061 6.562 -0.670) 6.681 12.384 ( -4.523 -9.072 -1.343) 10.226 12.445 ( -4.162 0.103 -0.354) 4.179 12.705 ( 1.229 2.242 1.732) 3.088 12.853 ( -0.280 5.179 0.130) 5.188 13.382 ( -3.937 -0.039 1.393) 4.177 13.444 ( 0.491 -1.838 -2.344) 3.019 13.651 ( 5.775 -5.087 5.210) 9.294 13.938 ( 0.573 9.218 0.706) 9.263 14.221 ( 7.243 -5.047 -0.590) 8.848 14.584 ( -4.443 -1.888 -1.760) 5.139 15.144 ( 3.723 -6.754 1.806) 7.921 15.390 ( -4.771 0.523 2.056) 5.222 15.400 ( -0.443 -0.599 -0.402) 0.847 15.646 ( 0.616 -7.090 3.609) 7.979 15.958 ( -1.492 -2.228 -2.664) 3.780 16.270 ( 0.608 -6.011 -6.693) 9.017 16.351 ( 5.106 7.045 3.764) 9.480 16.701 ( -7.795 -2.230 6.320) 10.280 17.049 ( 0.852 -2.166 0.914) 2.501 17.255 ( -1.520 -4.971 -0.510) 5.223 17.382 ( 1.111 -0.387 -0.179) 1.190 17.565 ( 0.146 -1.112 -1.898) 2.204 20.023 ( -2.168 -6.812 -2.277) 7.502 20.047 ( -2.133 -7.448 -2.853) 8.256 20.587 ( -0.774 10.037 3.202) 10.564 20.639 ( 1.902 7.230 -2.282) 7.817 22.591 ( -0.339 -10.987 2.881) 11.363 22.634 ( 2.608 -9.696 -1.446) 10.144 23.028 ( -1.905 9.909 2.748) 10.458 23.104 ( 0.124 8.306 -2.650) 8.720 27.684 ( 2.673 -21.206 -0.855) 21.391 28.074 ( -11.664 -23.589 8.810) 27.751 28.491 ( 1.097 21.640 1.414) 21.713 28.891 ( 2.528 18.896 -9.435) 21.272 30.910 ( 3.408 -8.841 2.525) 9.806 31.013 ( -1.649 -7.054 4.273) 8.411 31.086 ( 2.586 -7.796 4.246) 9.246 31.316 ( 1.720 2.082 -2.315) 3.557 31.507 ( -1.518 6.512 -1.805) 6.926 31.571 ( 4.192 9.186 1.995) 10.293 31.854 ( -6.290 -6.856 4.004) 10.129 32.199 ( 6.155 2.023 -15.024) 16.361 33.043 ( 1.601 -8.830 -2.054) 9.206 33.222 ( -1.871 -7.240 -4.577) 8.767 33.516 ( 1.137 6.063 4.456) 7.610 33.607 ( 0.000 4.659 1.217) 4.816 35.455 ( 0.135 -1.371 0.494) 1.463 35.512 ( 0.358 -1.580 -0.583) 1.722 35.898 ( 1.159 -1.327 -0.756) 1.917 35.973 ( -1.375 -1.752 -1.383) 2.622 36.406 ( -2.900 -3.771 0.445) 4.778 36.444 ( -1.833 -4.912 0.183) 5.246 37.485 ( -4.882 6.394 16.792) 18.619 37.972 ( 5.602 15.813 -12.742) 21.067 ======================= Grid point 212 (103/114) ======================= q-point: ( 0.62 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 9.152 -0.566 6.310) 11.131 2.146 ( -1.351 -3.622 -3.447) 5.180 2.261 ( 7.800 -10.682 3.962) 13.808 2.494 ( -8.993 -4.891 -6.076) 11.904 2.762 ( -2.360 -6.777 5.029) 8.763 2.833 ( 0.250 -1.676 5.798) 6.041 3.061 ( 3.739 8.042 0.889) 8.913 3.167 ( 12.929 -0.112 3.972) 13.526 3.361 ( 5.031 9.543 -6.200) 12.443 3.448 ( -4.091 4.870 -1.199) 6.472 3.570 ( -0.240 -0.846 -0.712) 1.131 3.678 ( -7.923 6.490 -0.944) 10.285 3.771 ( -6.011 4.967 -5.432) 9.504 3.887 ( 1.138 -2.007 0.686) 2.407 4.112 ( -2.674 0.837 3.803) 4.724 4.448 ( -0.205 1.833 -5.918) 6.199 4.598 ( -1.780 0.680 2.253) 2.950 4.655 ( -5.654 -5.690 -1.631) 8.186 4.794 ( 11.092 -2.269 2.168) 11.527 4.989 ( -4.698 0.050 0.959) 4.795 5.101 ( 0.872 0.422 2.155) 2.363 5.325 ( -8.883 0.413 -3.803) 9.672 5.441 ( 7.354 -1.794 3.583) 8.375 5.651 ( -0.754 -1.635 2.346) 2.957 5.770 ( 1.574 0.336 -0.231) 1.626 6.037 ( 1.224 -1.983 3.471) 4.181 6.039 ( 0.723 0.052 -3.640) 3.711 6.233 ( -1.886 -1.481 -7.521) 7.894 6.450 ( -3.940 4.529 4.820) 7.699 6.471 ( 1.795 2.773 -3.383) 4.728 7.756 ( 2.912 -1.535 -0.173) 3.297 7.903 ( 3.190 0.537 0.018) 3.235 8.125 ( 5.296 -0.953 6.187) 8.199 8.441 ( -4.403 -5.110 0.461) 6.761 8.924 ( -5.108 2.017 -3.973) 6.778 9.064 ( 0.839 -1.743 0.350) 1.966 9.244 ( -1.023 -0.356 -4.072) 4.214 9.310 ( -9.366 0.271 -0.670) 9.394 9.452 ( 2.637 -1.031 -1.054) 3.021 9.510 ( -0.557 1.981 -0.083) 2.059 9.798 ( 0.819 -2.879 -0.025) 2.994 9.960 ( 0.896 -0.841 -4.994) 5.143 10.018 ( 6.901 7.683 7.426) 12.720 10.300 ( -0.583 4.655 -0.659) 4.737 10.435 ( 0.302 -1.148 -2.733) 2.980 10.518 ( 0.142 -2.968 5.073) 5.879 11.146 ( 0.902 -1.202 0.392) 1.553 11.232 ( -4.216 -2.094 -0.872) 4.788 11.435 ( -1.142 -0.875 -0.642) 1.575 11.499 ( -3.644 -3.559 0.420) 5.111 11.630 ( 7.369 7.254 -0.916) 10.381 11.882 ( -2.548 6.227 -0.129) 6.729 12.225 ( 1.839 5.190 2.154) 5.912 12.308 ( 5.461 -8.533 3.968) 10.880 12.390 ( -3.424 -2.207 -2.283) 4.670 12.582 ( -4.157 -10.742 -1.381) 11.601 12.643 ( -1.562 2.759 -2.226) 3.874 12.691 ( -0.882 9.787 -2.157) 10.060 13.386 ( -1.439 -0.818 3.490) 3.863 13.470 ( 0.852 -2.094 -4.622) 5.145 13.785 ( 2.126 9.786 3.044) 10.467 13.810 ( 3.932 -2.388 2.877) 5.426 14.310 ( 4.968 -1.362 4.558) 6.879 14.611 ( -2.454 -4.947 -3.020) 6.294 15.253 ( 2.757 9.153 0.381) 9.566 15.310 ( 3.902 -7.095 1.768) 8.288 15.425 ( -5.680 0.521 -0.681) 5.744 15.603 ( -5.394 4.018 -4.632) 8.167 16.092 ( 3.681 -8.503 4.371) 10.244 16.251 ( 2.296 5.551 -0.077) 6.008 16.370 ( 2.130 -0.385 0.086) 2.167 16.649 ( -6.410 1.370 -3.019) 7.216 17.102 ( 2.986 -0.746 2.039) 3.692 17.274 ( -2.470 0.238 -3.098) 3.969 17.418 ( 1.908 -1.350 3.919) 4.563 17.561 ( -1.108 -0.008 -2.437) 2.678 20.108 ( -0.107 -4.000 1.685) 4.342 20.168 ( -0.384 -5.013 -2.323) 5.539 20.471 ( 0.582 2.493 2.579) 3.634 20.549 ( -0.252 1.427 -1.964) 2.441 22.713 ( 0.818 1.662 0.200) 1.863 22.756 ( -1.508 2.495 0.360) 2.938 22.901 ( 0.871 -0.999 0.749) 1.523 22.984 ( -1.432 -0.321 -1.998) 2.479 28.086 ( 4.382 -16.465 -0.129) 17.039 28.135 ( 3.146 20.620 5.161) 21.487 28.378 ( -6.475 -8.397 0.387) 10.611 28.549 ( -4.620 2.586 -7.934) 9.538 31.056 ( 3.454 0.420 2.062) 4.045 31.117 ( 1.388 -3.117 2.573) 4.273 31.150 ( 2.620 5.691 0.933) 6.334 31.299 ( -0.452 -5.003 -2.400) 5.567 31.475 ( 2.679 -1.529 3.905) 4.976 31.506 ( 6.242 4.199 3.256) 8.197 31.892 ( -3.969 -0.947 -2.501) 4.786 32.102 ( -7.210 1.672 -4.623) 8.726 33.159 ( 0.156 -1.731 2.682) 3.196 33.281 ( -0.799 -4.199 -6.420) 7.713 33.456 ( -0.098 4.150 6.583) 7.782 33.542 ( 0.897 1.655 -2.604) 3.213 35.480 ( 1.064 -0.322 0.701) 1.314 35.525 ( -0.278 -0.034 -0.224) 0.359 35.903 ( -1.282 0.611 1.691) 2.208 35.972 ( -0.925 -0.654 -2.962) 3.171 36.465 ( 5.628 -2.594 -5.640) 8.379 36.511 ( -4.022 -2.129 6.172) 7.669 37.459 ( 4.033 2.214 4.716) 6.589 37.764 ( -4.549 1.724 -4.749) 6.798 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 7.946 8.518 11.465) 16.344 2.176 ( -4.283 -1.274 -0.680) 4.520 2.395 ( -0.393 -0.355 -0.616) 0.812 2.503 ( -8.125 -5.565 -2.401) 10.137 2.789 ( 15.395 15.953 1.355) 22.212 2.888 ( 9.915 6.646 11.241) 16.396 2.960 ( -2.494 24.234 -0.566) 24.369 3.119 ( 1.696 -1.083 5.751) 6.093 3.211 ( -4.381 -4.925 -6.005) 8.917 3.299 ( -11.204 4.900 -5.429) 13.379 3.441 ( -4.479 0.910 1.136) 4.710 3.528 ( -2.196 2.690 -4.546) 5.721 3.768 ( 7.810 -2.895 2.150) 8.603 3.938 ( -6.378 -4.127 -2.778) 8.089 4.142 ( 4.811 -1.243 4.739) 6.867 4.338 ( -6.184 0.315 -10.044) 11.799 4.641 ( 2.601 -4.410 1.694) 5.393 4.726 ( -4.947 -7.734 -2.314) 9.468 4.948 ( 8.973 -3.206 1.842) 9.705 5.010 ( -3.871 -3.025 3.059) 5.787 5.139 ( 5.444 -0.342 1.557) 5.673 5.255 ( -7.613 -0.984 -2.727) 8.146 5.538 ( 8.888 0.815 2.000) 9.147 5.682 ( -3.439 -1.784 0.838) 3.964 5.745 ( 2.131 4.358 0.981) 4.949 5.889 ( -9.634 6.786 -5.171) 12.869 6.177 ( 7.337 -5.524 1.320) 9.278 6.239 ( 0.388 -2.496 -0.788) 2.646 6.364 ( -3.551 3.254 2.537) 5.444 6.397 ( -0.732 3.020 -4.602) 5.553 7.827 ( 3.032 -2.150 2.267) 4.354 7.913 ( -0.244 -0.626 -3.286) 3.354 8.227 ( 7.915 -1.509 7.509) 11.014 8.453 ( -8.349 -2.280 -4.004) 9.536 8.926 ( 7.078 -1.898 3.457) 8.103 9.107 ( -0.347 -2.410 -1.894) 3.085 9.208 ( -4.528 2.263 -0.106) 5.063 9.231 ( -7.466 -1.902 -3.912) 8.641 9.461 ( -0.370 3.648 0.735) 3.740 9.475 ( -0.444 0.980 -1.092) 1.533 9.838 ( 4.124 -2.978 0.176) 5.090 9.929 ( -4.481 0.573 1.403) 4.731 10.052 ( 7.487 -2.138 0.732) 7.821 10.202 ( -4.836 2.881 -2.446) 6.137 10.519 ( 3.184 -5.172 -0.806) 6.127 10.566 ( -3.384 -2.866 2.300) 4.995 11.189 ( 6.098 -1.346 -2.802) 6.844 11.267 ( -8.383 -3.712 4.062) 10.028 11.457 ( 0.756 -1.589 5.774) 6.037 11.533 ( 2.780 3.286 -4.426) 6.174 11.560 ( 0.897 -0.612 2.920) 3.115 11.701 ( -6.308 7.485 -4.280) 10.683 12.226 ( 5.026 -0.340 3.816) 6.319 12.364 ( -4.871 0.092 -5.626) 7.443 12.491 ( 2.597 -0.817 4.994) 5.688 12.539 ( 1.343 3.902 -1.498) 4.390 12.615 ( 4.290 -5.338 -0.793) 6.895 12.723 ( -6.824 -8.828 -2.626) 11.463 13.427 ( 0.494 -2.020 4.153) 4.644 13.480 ( 0.855 -1.510 -4.867) 5.167 13.659 ( 2.499 8.416 4.073) 9.678 13.763 ( -4.460 5.548 -4.010) 8.170 14.465 ( 8.400 -3.255 10.791) 14.058 14.640 ( -2.057 -1.728 -4.612) 5.337 15.132 ( 5.222 7.869 1.278) 9.530 15.265 ( -7.200 7.409 -3.590) 10.937 15.446 ( 3.644 -2.498 0.208) 4.423 15.520 ( -3.407 1.178 -2.499) 4.386 16.156 ( 0.447 6.742 3.134) 7.449 16.180 ( -0.087 2.821 -2.119) 3.529 16.415 ( 2.336 -2.841 8.440) 9.207 16.565 ( -2.197 0.060 -10.363) 10.594 17.128 ( 3.527 2.246 2.335) 4.789 17.205 ( -2.398 2.975 -2.588) 4.615 17.463 ( 1.475 1.007 3.291) 3.745 17.520 ( -1.692 1.802 -2.288) 3.368 20.142 ( 1.548 2.588 0.944) 3.160 20.151 ( 0.069 3.695 1.403) 3.953 20.571 ( 1.786 -9.823 -1.144) 10.049 20.595 ( -2.328 -8.267 0.424) 8.599 22.565 ( 1.253 12.007 -1.502) 12.165 22.576 ( -2.326 11.912 1.350) 12.212 23.033 ( 2.163 -8.402 -1.415) 8.791 23.064 ( -2.921 -7.938 0.132) 8.459 27.794 ( 2.920 22.282 6.992) 23.535 27.931 ( -1.678 22.108 -10.342) 24.465 28.626 ( 7.316 -21.725 0.803) 22.938 28.767 ( -9.854 -20.991 0.243) 23.190 30.968 ( 1.416 8.305 2.669) 8.838 31.008 ( 0.477 7.917 -3.117) 8.522 31.251 ( 13.941 -0.733 1.106) 14.004 31.410 ( -6.565 -5.400 2.997) 9.013 31.496 ( 4.919 0.037 3.764) 6.194 31.584 ( -0.240 -3.684 -0.950) 3.812 31.834 ( 6.575 3.092 -7.013) 10.098 31.979 ( -18.372 0.828 4.733) 18.990 33.135 ( 1.318 6.704 5.368) 8.689 33.219 ( -2.567 6.517 -3.714) 7.928 33.494 ( 1.922 -4.219 1.819) 4.980 33.544 ( -1.037 -3.297 -2.704) 4.388 35.486 ( 1.241 1.079 0.558) 1.736 35.506 ( -0.744 1.453 -0.079) 1.634 35.890 ( -1.057 1.708 4.233) 4.686 35.940 ( -0.331 1.498 -4.848) 5.085 36.491 ( 4.641 1.712 -2.027) 5.346 36.523 ( -2.201 0.756 2.636) 3.516 37.561 ( 16.825 -6.201 -6.739) 19.156 37.772 ( -17.429 -10.556 4.807) 20.936 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -11.568 11.422 -14.486) 21.774 1.941 ( 11.568 11.422 14.486) 21.774 2.375 ( 8.586 29.190 -14.108) 33.539 2.375 ( -8.586 29.190 14.108) 33.539 2.527 ( -0.511 -2.729 -15.847) 16.088 2.527 ( 0.511 -2.729 15.847) 16.088 2.939 ( -6.705 2.175 -2.584) 7.508 2.939 ( 6.705 2.175 2.584) 7.508 3.371 ( -4.265 -7.203 -4.261) 9.393 3.371 ( 4.265 -7.203 4.261) 9.393 3.521 ( -2.983 -7.461 -7.338) 10.882 3.521 ( 2.983 -7.461 7.338) 10.882 3.868 ( -3.220 2.090 -8.351) 9.191 3.868 ( 3.220 2.090 8.351) 9.191 4.253 ( -6.258 -1.398 -7.734) 10.046 4.253 ( 6.258 -1.398 7.734) 10.046 4.813 ( -5.390 -7.716 -1.806) 9.584 4.813 ( 5.390 -7.716 1.806) 9.584 5.033 ( -2.170 -0.734 -0.111) 2.293 5.033 ( 2.170 -0.734 0.111) 2.293 5.195 ( -6.085 0.236 -1.708) 6.324 5.195 ( 6.085 0.236 1.708) 6.324 5.536 ( -11.451 11.485 -4.213) 16.756 5.536 ( 11.451 11.485 4.213) 16.756 5.729 ( -4.409 -0.327 -1.511) 4.672 5.729 ( 4.409 -0.327 1.511) 4.672 6.277 ( -4.984 1.058 -2.363) 5.616 6.277 ( 4.984 1.058 2.363) 5.616 6.366 ( -6.607 -5.422 -3.737) 9.328 6.366 ( 6.607 -5.422 3.737) 9.328 7.891 ( -1.125 -1.272 -4.451) 4.764 7.891 ( 1.125 -1.272 4.451) 4.764 8.391 ( -9.506 -3.242 -7.569) 12.577 8.391 ( 9.506 -3.242 7.569) 12.577 9.045 ( -5.771 1.541 -5.528) 8.139 9.045 ( 5.771 1.541 5.528) 8.139 9.201 ( -1.618 -1.298 -4.893) 5.314 9.201 ( 1.618 -1.298 4.893) 5.314 9.399 ( -1.314 3.773 -3.618) 5.390 9.399 ( 1.314 3.773 3.618) 5.390 9.919 ( 3.153 0.384 -5.383) 6.251 9.919 ( -3.153 0.384 5.383) 6.251 10.171 ( 3.163 -6.705 -1.455) 7.555 10.171 ( -3.163 -6.705 1.455) 7.555 10.619 ( 1.822 -4.177 -0.963) 4.658 10.619 ( -1.822 -4.177 0.963) 4.658 11.253 ( 7.557 -0.672 -4.916) 9.041 11.253 ( -7.557 -0.672 4.916) 9.041 11.421 ( -2.497 8.270 -2.524) 9.000 11.421 ( 2.497 8.270 2.524) 9.000 11.653 ( -0.126 -7.182 -2.012) 7.460 11.653 ( 0.126 -7.182 2.012) 7.460 12.313 ( -1.044 -1.965 -5.887) 6.294 12.313 ( 1.044 -1.965 5.887) 6.294 12.525 ( -2.409 -2.633 -2.857) 4.571 12.525 ( 2.409 -2.633 2.857) 4.571 12.780 ( -4.968 -4.789 -1.700) 7.106 12.780 ( 4.968 -4.789 1.700) 7.106 13.499 ( 1.747 -2.544 -3.522) 4.682 13.499 ( -1.747 -2.544 3.522) 4.682 13.574 ( -5.309 6.869 -4.873) 9.956 13.574 ( 5.309 6.869 4.873) 9.956 14.577 ( -4.461 2.244 -5.491) 7.422 14.577 ( 4.461 2.244 5.491) 7.422 15.084 ( -4.125 4.478 -4.659) 7.667 15.084 ( 4.125 4.478 4.659) 7.667 15.399 ( 3.996 10.451 -3.776) 11.808 15.399 ( -3.996 10.451 3.776) 11.808 16.101 ( -1.330 1.630 -5.878) 6.243 16.101 ( 1.330 1.630 5.878) 6.243 16.512 ( 0.295 -1.238 -6.331) 6.458 16.512 ( -0.295 -1.238 6.331) 6.458 17.106 ( -2.847 4.270 -2.748) 5.822 17.106 ( 2.847 4.270 2.748) 5.822 17.441 ( -2.467 3.966 -2.075) 5.111 17.441 ( 2.467 3.966 2.075) 5.111 20.094 ( -1.457 2.682 -3.023) 4.296 20.094 ( 1.457 2.682 3.023) 4.296 20.771 ( 1.585 -11.094 -3.234) 11.664 20.771 ( -1.585 -11.094 3.234) 11.664 22.352 ( 5.445 11.531 -5.870) 14.038 22.352 ( -5.445 11.531 5.870) 14.038 23.185 ( 3.933 -7.370 -5.116) 9.795 23.185 ( -3.933 -7.370 5.116) 9.795 27.457 ( -1.819 22.026 -7.356) 23.293 27.457 ( 1.819 22.026 7.356) 23.293 29.062 ( -6.509 -19.034 -1.076) 20.145 29.062 ( 6.509 -19.034 1.076) 20.145 30.866 ( -0.611 5.586 -3.229) 6.482 30.866 ( 0.611 5.586 3.229) 6.482 31.340 ( -18.900 4.632 4.103) 19.887 31.340 ( 18.900 4.632 -4.103) 19.887 31.575 ( -0.849 -0.298 -3.323) 3.443 31.575 ( 0.849 -0.298 3.323) 3.443 31.897 ( 0.090 -4.737 -2.075) 5.172 31.897 ( -0.090 -4.737 2.075) 5.172 33.018 ( -2.372 10.596 -3.732) 11.482 33.018 ( 2.372 10.596 3.732) 11.482 33.598 ( 2.104 -4.477 -4.963) 7.007 33.598 ( -2.104 -4.477 4.963) 7.007 35.469 ( 0.714 1.755 -1.376) 2.342 35.469 ( -0.714 1.755 1.376) 2.342 35.863 ( 2.890 3.687 -7.793) 9.093 35.863 ( -2.890 3.687 7.793) 9.093 36.485 ( -0.758 1.373 -3.675) 3.996 36.485 ( 0.758 1.373 3.675) 3.996 37.865 ( -25.370 -13.170 7.200) 29.478 37.865 ( 25.370 -13.170 -7.200) 29.478 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 15.745 0.000 -19.758) 25.264 1.666 ( 22.840 0.000 -24.010) 33.138 2.210 ( 15.453 0.000 1.697) 15.546 2.419 ( 22.597 0.000 -14.788) 27.006 2.440 ( 3.827 0.000 11.596) 12.211 2.622 ( -2.209 -0.000 -9.591) 9.842 2.970 ( -20.527 -0.000 -2.022) 20.626 3.027 ( -2.755 -0.000 6.008) 6.610 3.071 ( -7.725 -0.000 -4.931) 9.165 3.281 ( -11.443 -0.000 -0.636) 11.461 3.514 ( -0.632 -0.000 3.847) 3.898 3.650 ( -1.376 -0.000 0.279) 1.404 3.820 ( 0.621 0.000 -0.188) 0.649 3.910 ( -1.832 -0.000 10.298) 10.459 4.208 ( 8.656 0.000 -0.824) 8.695 4.304 ( -10.467 -0.000 -0.259) 10.470 4.609 ( -10.961 -0.000 6.719) 12.857 4.834 ( -2.016 -0.000 -0.123) 2.019 4.926 ( 5.067 0.000 0.272) 5.075 4.945 ( 4.140 0.000 -3.501) 5.422 5.148 ( -1.171 -0.000 6.087) 6.198 5.424 ( 1.078 0.000 0.123) 1.085 5.552 ( -15.397 -0.000 -4.122) 15.940 5.654 ( 9.278 0.000 -2.654) 9.650 5.774 ( 6.567 0.000 7.833) 10.222 5.877 ( 9.185 0.000 9.748) 13.394 6.175 ( 2.900 0.000 -4.743) 5.560 6.228 ( 1.143 0.000 2.958) 3.171 6.606 ( 2.435 0.000 2.568) 3.539 6.639 ( 1.146 0.000 1.578) 1.950 7.822 ( -2.790 -0.000 -6.687) 7.246 8.195 ( 2.619 0.000 4.907) 5.562 8.287 ( -5.506 -0.000 -1.070) 5.610 8.340 ( -8.643 -0.000 -8.657) 12.233 8.907 ( 0.554 0.000 6.304) 6.328 9.053 ( -0.519 -0.000 3.253) 3.294 9.205 ( 4.232 0.000 -4.555) 6.218 9.285 ( 8.401 0.000 -2.202) 8.685 9.484 ( 0.131 0.000 2.133) 2.137 9.542 ( 3.288 0.000 5.959) 6.805 9.826 ( 4.544 0.000 -7.229) 8.538 9.835 ( -0.668 -0.000 1.807) 1.927 10.199 ( -6.568 -0.000 -10.465) 12.355 10.322 ( -3.134 -0.000 -1.687) 3.559 10.838 ( 6.008 0.000 -6.782) 9.061 10.899 ( -1.845 -0.000 9.283) 9.464 11.116 ( 0.284 0.000 1.295) 1.326 11.301 ( -3.180 -0.000 7.144) 7.819 11.432 ( -1.076 -0.000 0.605) 1.234 11.555 ( 9.813 0.000 -0.907) 9.854 11.826 ( -1.599 -0.000 -13.928) 14.019 11.948 ( 11.055 0.000 4.344) 11.878 12.097 ( 2.687 0.000 1.949) 3.319 12.328 ( -0.343 -0.000 5.717) 5.727 12.435 ( 0.766 0.000 1.547) 1.726 12.583 ( -11.171 -0.000 0.052) 11.172 12.860 ( -5.611 -0.000 -7.481) 9.351 12.901 ( -2.241 -0.000 1.767) 2.854 13.377 ( -0.925 -0.000 2.625) 2.784 13.536 ( -0.306 -0.000 3.911) 3.923 13.538 ( 0.977 0.000 -5.004) 5.098 13.731 ( 1.065 0.000 0.102) 1.070 14.254 ( 8.155 0.000 7.576) 11.131 14.471 ( -1.959 -0.000 -0.052) 1.960 14.535 ( -1.821 -0.000 0.580) 1.911 14.978 ( 2.264 0.000 -1.231) 2.577 15.049 ( 0.482 0.000 6.631) 6.648 15.156 ( 2.084 0.000 -3.270) 3.878 15.703 ( -3.178 -0.000 -9.654) 10.163 16.388 ( -2.259 -0.000 -5.853) 6.274 16.660 ( 2.416 0.000 5.042) 5.591 16.673 ( 4.301 0.000 2.584) 5.018 16.948 ( -0.513 -0.000 2.921) 2.966 16.976 ( 0.177 0.000 -0.273) 0.326 17.196 ( 0.261 0.000 -0.410) 0.486 17.540 ( 2.532 0.000 -2.397) 3.486 19.771 ( -3.310 -0.000 -5.847) 6.719 20.140 ( -5.649 -0.000 -3.339) 6.562 20.957 ( 0.284 0.000 -2.697) 2.712 21.025 ( -2.531 -0.000 1.314) 2.851 22.103 ( -2.177 -0.000 6.628) 6.976 22.246 ( 4.839 0.000 -1.731) 5.139 23.378 ( 3.009 0.000 -3.853) 4.889 23.380 ( -2.227 -0.000 3.838) 4.437 26.961 ( 0.042 0.000 -0.072) 0.084 26.970 ( -0.089 -0.000 0.150) 0.174 29.394 ( -1.576 -0.000 -2.475) 2.934 29.558 ( 3.862 0.000 -2.443) 4.570 30.264 ( 1.303 0.000 2.353) 2.689 30.746 ( -1.745 -0.000 2.069) 2.707 30.815 ( -2.892 -0.000 3.339) 4.418 31.176 ( -0.618 -0.000 -6.384) 6.414 31.510 ( -3.945 -0.000 2.954) 4.929 31.962 ( 2.129 0.000 -1.205) 2.447 32.092 ( 14.152 0.000 -18.951) 23.652 32.145 ( 0.036 0.000 -2.741) 2.742 32.630 ( 3.588 0.000 -2.408) 4.321 32.869 ( 8.955 0.000 -12.325) 15.235 33.682 ( 4.367 0.000 -3.993) 5.917 33.767 ( -5.147 -0.000 9.781) 11.052 35.396 ( -1.943 -0.000 2.181) 2.921 35.441 ( 2.121 0.000 -2.605) 3.360 35.742 ( 4.404 0.000 -4.831) 6.537 35.847 ( -3.784 -0.000 6.627) 7.632 36.241 ( -3.005 -0.000 -3.289) 4.455 36.473 ( -7.991 -0.000 -0.344) 7.999 37.723 ( -11.511 -0.000 23.879) 26.509 38.895 ( 4.577 0.000 -1.295) 4.757 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 16.244 -14.580 -13.795) 25.821 1.772 ( 19.387 -7.569 -20.777) 29.409 2.180 ( -6.457 13.171 3.064) 14.985 2.366 ( -7.933 1.093 -12.085) 14.498 2.526 ( 16.296 -2.623 -12.579) 20.752 2.712 ( -5.074 -4.647 4.353) 8.142 2.783 ( 9.866 -6.237 6.584) 13.401 2.924 ( 3.862 4.079 -8.054) 9.819 3.237 ( -4.290 -10.397 7.853) 13.717 3.309 ( -6.973 -6.573 2.826) 9.991 3.560 ( -2.973 -3.568 2.160) 5.122 3.652 ( -1.509 -2.267 1.338) 3.034 3.796 ( 0.905 4.958 2.427) 5.594 3.905 ( -0.516 2.408 3.787) 4.517 4.232 ( -1.909 -0.431 1.381) 2.395 4.344 ( 2.793 -4.849 -0.576) 5.626 4.577 ( -9.007 -0.860 5.950) 10.829 4.789 ( 1.059 4.201 1.217) 4.500 4.863 ( -2.649 3.254 -3.625) 5.545 5.073 ( 1.765 -4.657 -0.296) 4.989 5.164 ( 0.307 -0.348 6.419) 6.436 5.339 ( -10.928 3.344 -1.077) 11.478 5.497 ( -0.012 -4.566 -5.052) 6.810 5.725 ( 5.878 -1.697 -1.140) 6.223 5.787 ( 4.422 5.781 3.432) 8.047 6.018 ( 2.772 0.160 4.316) 5.132 6.128 ( 5.887 3.650 -0.945) 6.991 6.233 ( -0.170 2.260 2.981) 3.745 6.583 ( 0.995 4.042 0.573) 4.202 6.631 ( 0.620 2.560 3.506) 4.386 7.759 ( 0.410 1.449 -4.153) 4.418 8.146 ( -1.241 5.610 -0.386) 5.759 8.205 ( -3.997 4.223 1.264) 5.950 8.253 ( -6.850 -2.084 -9.301) 11.737 8.955 ( 1.884 -0.039 6.193) 6.473 9.083 ( 0.209 0.450 1.480) 1.561 9.244 ( 3.505 -2.416 -2.775) 5.082 9.330 ( 3.425 -1.425 -3.295) 4.962 9.448 ( -0.617 1.185 4.416) 4.614 9.648 ( 2.745 -2.056 5.018) 6.078 9.791 ( 1.442 1.976 -4.476) 5.101 9.829 ( 1.229 1.461 -1.356) 2.342 10.114 ( -3.777 -1.830 -7.543) 8.632 10.300 ( -1.110 -1.080 -1.464) 2.131 10.779 ( -3.765 8.187 -0.759) 9.043 10.793 ( 2.871 5.410 -5.657) 8.338 11.183 ( -4.213 -2.276 2.421) 5.366 11.293 ( -1.957 0.542 5.127) 5.514 11.411 ( -1.949 0.197 -1.984) 2.788 11.585 ( 2.283 9.025 -10.982) 14.397 11.670 ( 3.221 -2.042 0.096) 3.815 11.983 ( -1.018 -1.195 -3.928) 4.230 12.160 ( 13.524 6.177 6.872) 16.379 12.318 ( -0.859 5.710 4.866) 7.551 12.499 ( -1.441 -0.702 2.516) 2.983 12.591 ( 8.581 -2.468 2.937) 9.399 12.675 ( -5.398 4.280 -1.647) 7.083 12.879 ( -3.669 0.596 0.959) 3.839 13.372 ( -2.899 1.090 3.959) 5.027 13.496 ( 0.542 0.671 -2.930) 3.055 13.589 ( 2.044 0.781 0.398) 2.224 13.796 ( -3.691 -9.919 -2.440) 10.861 14.297 ( 9.907 6.556 7.694) 14.154 14.541 ( -1.206 -2.534 -0.684) 2.889 14.819 ( 2.910 -18.250 5.805) 19.371 15.100 ( -4.164 -13.613 3.575) 14.678 15.161 ( 3.736 -7.123 5.456) 9.719 15.233 ( 2.179 -9.473 3.109) 10.206 15.697 ( -1.773 -6.786 -7.958) 10.608 16.286 ( -4.742 1.940 -8.789) 10.174 16.611 ( 2.526 6.745 3.560) 8.034 16.684 ( 0.708 5.437 3.327) 6.413 16.947 ( 1.400 -1.971 2.789) 3.691 17.061 ( -1.073 -5.225 0.259) 5.340 17.264 ( 2.219 -5.077 0.302) 5.549 17.538 ( 0.262 -0.573 -3.441) 3.498 19.761 ( -1.446 -4.271 -4.846) 6.619 20.023 ( -7.420 3.066 -5.169) 9.549 20.892 ( 1.245 5.749 -2.290) 6.312 20.944 ( -2.509 6.851 1.155) 7.387 22.202 ( -1.378 -7.822 6.427) 10.217 22.325 ( 3.463 -6.231 -2.354) 7.507 23.327 ( -0.314 5.309 -0.005) 5.318 23.342 ( -0.638 4.083 -0.724) 4.196 27.064 ( 0.863 -11.009 -0.306) 11.047 27.176 ( -4.927 -20.939 3.454) 21.787 29.208 ( 1.643 16.287 -0.326) 16.373 29.475 ( 2.227 10.588 -4.343) 11.659 30.493 ( 11.102 -11.843 11.403) 19.838 30.792 ( -0.892 -4.401 3.451) 5.663 30.838 ( -2.723 -3.241 3.235) 5.327 31.205 ( 0.744 -6.312 -4.057) 7.540 31.526 ( -5.760 -3.652 1.914) 7.084 31.875 ( 1.496 7.330 -5.835) 9.488 31.956 ( 3.495 9.611 -4.197) 11.054 32.193 ( 8.208 -2.861 -16.344) 18.512 32.721 ( 4.280 -7.067 -3.272) 8.887 32.925 ( 2.630 -6.979 -7.814) 10.801 33.676 ( 5.172 2.229 -3.969) 6.890 33.753 ( -5.554 2.672 8.982) 10.893 35.405 ( -0.688 -0.859 1.683) 2.010 35.452 ( 1.391 -1.076 -1.763) 2.490 35.787 ( 5.111 -3.676 -5.172) 8.147 35.872 ( -4.678 -2.363 5.277) 7.437 36.235 ( -2.445 -3.096 -0.837) 4.033 36.394 ( -8.211 0.674 -1.057) 8.306 37.752 ( -5.219 5.615 26.052) 27.157 38.699 ( -0.254 17.446 -11.296) 20.785 ======================= Grid point 221 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 10.694 -11.653 -9.391) 18.394 1.874 ( -7.248 -0.014 -4.893) 8.745 1.950 ( 6.944 -2.152 -7.862) 10.707 2.262 ( -12.159 -4.026 -6.949) 14.572 2.697 ( 11.410 -1.449 -4.444) 12.330 2.844 ( 8.367 -6.704 -1.467) 10.822 2.876 ( 0.037 -4.140 7.422) 8.499 3.147 ( 8.280 -20.001 -2.829) 21.831 3.338 ( -1.575 2.438 8.656) 9.129 3.376 ( 6.006 -0.076 0.934) 6.079 3.652 ( -7.439 -2.465 -2.088) 8.110 3.661 ( -5.030 -2.618 4.150) 7.027 3.762 ( 4.547 -3.110 2.665) 6.120 3.893 ( -0.522 1.618 -0.004) 1.700 4.201 ( -2.698 2.126 0.503) 3.472 4.435 ( 6.123 -1.769 -2.455) 6.830 4.559 ( -6.965 -1.032 2.623) 7.513 4.721 ( -8.146 3.561 -3.563) 9.577 4.775 ( 4.217 1.574 4.299) 6.224 5.075 ( -3.017 1.016 0.588) 3.238 5.171 ( -2.025 3.612 1.307) 4.342 5.296 ( -6.189 -5.099 0.011) 8.019 5.562 ( 2.535 1.340 1.532) 3.251 5.664 ( 1.243 5.598 -3.178) 6.556 5.804 ( 3.685 1.024 2.734) 4.701 5.929 ( 0.557 2.965 -3.797) 4.850 6.141 ( 4.497 3.374 -1.616) 5.850 6.199 ( -2.502 1.703 2.322) 3.814 6.530 ( 1.110 2.496 1.754) 3.246 6.607 ( -0.418 2.888 3.147) 4.292 7.748 ( 2.498 0.373 0.186) 2.533 8.006 ( -1.937 4.949 -5.761) 7.838 8.148 ( 2.496 3.266 6.445) 7.644 8.225 ( -4.752 -4.876 -5.004) 8.450 8.985 ( -1.486 0.205 1.202) 1.922 9.039 ( -1.571 3.812 2.120) 4.636 9.250 ( -0.669 0.098 -7.010) 7.043 9.324 ( -2.879 -1.520 -3.909) 5.087 9.520 ( 2.434 0.317 6.906) 7.329 9.624 ( -1.815 3.018 -0.317) 3.536 9.780 ( 8.534 4.830 0.605) 9.824 9.835 ( -0.949 -5.164 -3.459) 6.287 10.133 ( 1.588 -2.933 1.756) 3.769 10.341 ( 0.480 -3.806 -0.565) 3.878 10.595 ( -2.096 8.875 0.308) 9.125 10.649 ( 1.402 8.294 -6.425) 10.584 11.147 ( -2.738 2.005 1.506) 3.712 11.283 ( -4.315 3.216 -3.394) 6.362 11.370 ( -1.717 -1.080 -2.629) 3.321 11.434 ( 0.129 0.393 -2.207) 2.246 11.782 ( 7.190 -1.680 1.196) 7.480 11.983 ( -0.372 -2.238 -3.200) 3.922 12.167 ( 6.747 3.753 2.888) 8.243 12.266 ( -0.356 2.023 4.027) 4.520 12.419 ( -0.590 4.309 0.157) 4.353 12.510 ( -3.550 7.176 0.186) 8.008 12.766 ( 3.283 0.481 2.127) 3.941 12.875 ( -1.597 -1.725 2.350) 3.324 13.360 ( -3.695 -0.167 4.560) 5.871 13.430 ( -0.064 2.683 -6.396) 6.936 13.657 ( 7.152 -4.098 5.622) 9.978 13.939 ( -3.303 -8.038 -2.476) 9.036 14.296 ( 9.532 5.164 4.932) 11.910 14.537 ( -3.261 1.024 -2.458) 4.211 15.056 ( 3.218 -8.221 1.642) 8.980 15.209 ( -4.659 -7.274 -1.199) 8.721 15.443 ( -0.137 -7.020 5.627) 8.998 15.497 ( 2.635 -11.002 4.977) 12.359 15.831 ( 0.096 -10.526 0.647) 10.547 16.180 ( -4.251 0.137 -9.419) 10.334 16.526 ( 3.844 6.602 2.503) 8.039 16.632 ( -4.895 -0.033 5.283) 7.202 17.019 ( 1.577 -2.753 1.689) 3.594 17.137 ( -2.470 -5.286 -1.506) 6.026 17.368 ( 3.018 -3.157 1.593) 4.649 17.530 ( -0.876 -1.062 -3.438) 3.703 19.842 ( 0.308 -7.855 -4.100) 8.866 19.931 ( -5.667 -2.097 -2.399) 6.501 20.764 ( 1.024 8.419 -0.565) 8.499 20.788 ( -0.894 8.884 0.255) 8.932 22.404 ( -0.692 -11.240 5.334) 12.461 22.475 ( 2.446 -9.165 -2.826) 9.898 23.196 ( -1.822 8.589 2.145) 9.039 23.226 ( -0.171 7.026 -3.143) 7.699 27.348 ( 3.722 -18.667 -0.383) 19.038 27.564 ( -11.704 -25.360 4.345) 28.266 28.907 ( 4.445 20.376 3.465) 21.141 29.183 ( -0.599 18.050 -7.718) 19.639 30.817 ( 6.534 -7.770 5.407) 11.502 30.898 ( -1.324 -5.798 2.713) 6.537 30.988 ( 4.611 -10.377 10.706) 15.606 31.321 ( 1.494 -4.550 0.710) 4.841 31.539 ( -5.934 -1.218 0.054) 6.058 31.711 ( 0.776 6.285 -8.218) 10.375 31.832 ( 2.428 5.869 5.260) 8.247 32.160 ( 4.036 0.208 -19.699) 20.110 32.886 ( 3.627 -9.121 -1.367) 9.910 33.038 ( -2.186 -8.498 -4.228) 9.740 33.638 ( 4.400 4.240 -1.778) 6.364 33.695 ( -3.923 4.250 5.595) 8.047 35.434 ( 0.426 -1.558 1.280) 2.061 35.478 ( 0.469 -1.783 -1.179) 2.189 35.866 ( 3.306 -3.185 -3.249) 5.624 35.909 ( -3.134 -2.916 1.151) 4.433 36.300 ( -4.066 -5.651 3.316) 7.711 36.345 ( -3.022 -2.457 -2.629) 4.699 37.725 ( -2.366 10.015 24.549) 26.619 38.255 ( 1.193 20.507 -18.678) 27.764 ======================= Grid point 222 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 2.572 -9.892 1.564) 10.340 1.958 ( -0.529 -13.119 -5.295) 14.157 2.109 ( 10.034 -11.222 -2.211) 15.215 2.259 ( -10.434 -8.924 -2.816) 14.015 2.712 ( 4.549 2.102 1.779) 5.318 2.813 ( -5.861 2.169 0.815) 6.302 3.181 ( 12.106 -7.792 2.100) 14.550 3.307 ( 0.750 4.169 7.479) 8.595 3.417 ( 5.540 -1.032 -3.488) 6.627 3.470 ( 0.311 -2.713 -2.441) 3.662 3.560 ( 0.507 -0.860 2.249) 2.461 3.716 ( -7.829 -3.038 -5.092) 9.821 3.789 ( 1.377 6.984 1.537) 7.282 3.853 ( -2.939 -1.601 0.628) 3.405 4.176 ( 4.670 2.522 4.004) 6.648 4.391 ( -10.607 2.201 -7.528) 13.192 4.569 ( 3.946 -2.000 -2.343) 5.006 4.618 ( -4.990 1.134 2.495) 5.692 4.861 ( 9.719 -0.432 3.869) 10.470 4.999 ( -6.210 3.617 1.101) 7.270 5.145 ( 2.641 0.669 2.954) 4.019 5.262 ( -7.688 0.466 -4.598) 8.970 5.506 ( 1.496 3.467 5.514) 6.683 5.585 ( -1.904 0.613 -4.398) 4.832 5.838 ( 6.701 0.365 4.867) 8.290 5.974 ( -0.905 -4.557 -2.491) 5.272 6.066 ( 0.437 3.739 0.903) 3.871 6.153 ( -3.029 0.002 -6.148) 6.853 6.512 ( 0.525 2.677 2.531) 3.722 6.544 ( -0.757 4.333 -0.109) 4.400 7.780 ( 4.505 -0.270 3.210) 5.539 7.909 ( -2.180 1.015 -5.573) 6.069 8.192 ( 4.732 -0.720 6.361) 7.960 8.292 ( -3.307 -6.284 -1.002) 7.171 8.927 ( -0.129 2.700 -1.887) 3.296 8.994 ( -5.229 -1.259 -0.798) 5.438 9.222 ( 2.072 0.250 -3.534) 4.104 9.275 ( -5.865 0.937 -1.045) 6.030 9.500 ( 1.831 3.993 1.812) 4.752 9.547 ( -2.021 4.036 -0.681) 4.565 9.801 ( 6.013 -0.555 0.677) 6.076 9.894 ( -3.124 -2.845 -3.091) 5.236 10.233 ( 8.931 1.285 7.475) 11.717 10.365 ( -0.746 2.069 -1.177) 2.494 10.473 ( 1.893 6.574 -6.487) 9.427 10.489 ( -4.427 1.012 3.764) 5.898 11.125 ( -1.066 -0.642 1.663) 2.077 11.174 ( -3.029 0.505 -4.612) 5.541 11.401 ( 1.131 -1.755 0.045) 2.088 11.439 ( -2.121 -1.475 -0.701) 2.677 11.818 ( 8.976 5.093 1.151) 10.384 11.953 ( -5.035 3.944 -1.158) 6.500 12.233 ( 5.174 -5.458 2.533) 7.935 12.307 ( -3.543 -6.073 0.028) 7.032 12.350 ( 0.465 5.344 -0.193) 5.368 12.376 ( -3.139 0.987 -0.252) 3.301 12.735 ( 2.310 5.267 2.155) 6.142 12.819 ( -3.064 6.286 -2.600) 7.461 13.368 ( -2.557 -1.323 4.641) 5.461 13.402 ( 0.785 -2.166 -5.481) 5.945 13.846 ( 8.844 -3.148 5.021) 10.646 13.950 ( -1.816 3.562 1.282) 4.199 14.339 ( 7.168 -0.834 0.508) 7.234 14.468 ( -7.315 -1.886 -2.206) 7.870 15.214 ( 3.388 -6.377 0.731) 7.258 15.290 ( -5.717 -6.244 -0.955) 8.520 15.473 ( 6.873 5.387 2.360) 9.046 15.612 ( -6.352 1.473 -1.561) 6.704 16.012 ( 4.029 -7.440 7.040) 11.007 16.165 ( -2.932 -6.934 -8.519) 11.368 16.481 ( 7.870 4.484 0.951) 9.107 16.609 ( -9.525 0.827 2.381) 9.853 17.102 ( 2.869 -3.251 2.891) 5.211 17.189 ( -3.223 -4.229 -3.520) 6.377 17.440 ( 2.552 -1.086 3.967) 4.840 17.520 ( -1.562 -1.037 -3.860) 4.291 19.984 ( -0.499 -8.800 -0.746) 8.846 19.994 ( -1.363 -8.855 -1.324) 9.056 20.612 ( -0.939 8.793 3.467) 9.499 20.633 ( 1.359 7.731 -3.201) 8.477 22.622 ( 0.073 -10.057 2.665) 10.404 22.643 ( 0.787 -9.277 -1.724) 9.469 23.034 ( -1.276 9.458 3.070) 10.025 23.063 ( -0.023 8.533 -3.771) 9.329 27.763 ( 7.968 -22.214 0.219) 23.601 27.923 ( -13.107 -23.695 1.756) 27.135 28.599 ( 5.256 21.427 7.076) 23.169 28.769 ( -3.231 20.343 -10.022) 22.907 30.990 ( 2.515 -7.465 1.474) 8.014 31.020 ( -1.673 -7.582 1.445) 7.898 31.243 ( 6.171 -2.558 6.752) 9.498 31.327 ( -0.046 4.396 -0.444) 4.418 31.494 ( 2.316 1.579 1.469) 3.164 31.610 ( -3.094 0.628 -3.713) 4.873 31.847 ( 1.883 0.029 8.590) 8.793 32.046 ( -2.768 1.724 -14.974) 15.325 33.070 ( 2.553 -8.317 0.938) 8.750 33.137 ( -2.842 -7.275 -3.359) 8.502 33.577 ( 1.298 5.260 2.529) 5.979 33.608 ( -0.648 5.055 -0.357) 5.108 35.476 ( 1.075 -1.510 1.202) 2.209 35.503 ( -0.461 -1.550 -1.012) 1.907 35.903 ( -0.087 -0.822 0.967) 1.272 35.929 ( -1.026 -1.446 -2.312) 2.914 36.393 ( 3.475 -5.850 -3.515) 7.658 36.419 ( -4.810 -6.553 4.022) 9.069 37.648 ( -1.005 10.115 18.991) 21.541 37.846 ( 1.069 13.785 -17.535) 22.331 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -2.594 -5.505 -3.231) 6.890 2.101 ( 2.594 -5.505 3.231) 6.890 2.356 ( -2.578 -6.083 -0.516) 6.626 2.356 ( 2.578 -6.083 0.516) 6.626 2.817 ( -1.528 -11.421 -5.100) 12.601 2.817 ( 1.528 -11.421 5.100) 12.601 3.211 ( -6.268 11.315 -6.717) 14.575 3.211 ( 6.268 11.315 6.717) 14.575 3.408 ( -2.205 6.862 -6.473) 9.687 3.408 ( 2.205 6.862 6.473) 9.687 3.538 ( 0.183 6.898 -2.833) 7.459 3.538 ( -0.183 6.898 2.833) 7.459 3.811 ( -1.139 -0.437 -8.465) 8.553 3.811 ( 1.139 -0.437 8.465) 8.553 4.229 ( -8.772 0.957 -8.200) 12.046 4.229 ( 8.772 0.957 8.200) 12.046 4.607 ( 0.807 -1.690 -2.105) 2.817 4.607 ( -0.807 -1.690 2.105) 2.817 4.939 ( 3.301 -1.966 -4.086) 5.609 4.939 ( -3.301 -1.966 4.086) 5.609 5.188 ( -4.719 0.091 -2.678) 5.427 5.188 ( 4.719 0.091 2.678) 5.427 5.579 ( -7.623 -3.921 -1.433) 8.691 5.579 ( 7.623 -3.921 1.433) 8.691 5.890 ( -6.904 4.039 -6.009) 10.004 5.890 ( 6.904 4.039 6.009) 10.004 6.132 ( 0.354 -4.232 -6.844) 8.054 6.132 ( -0.354 -4.232 6.844) 8.054 6.456 ( 1.933 4.717 -4.201) 6.605 6.456 ( -1.933 4.717 4.201) 6.605 7.854 ( -4.294 -0.879 -4.899) 6.574 7.854 ( 4.294 -0.879 4.899) 6.574 8.309 ( -7.567 -2.437 -6.772) 10.443 8.309 ( 7.567 -2.437 6.772) 10.443 8.969 ( -8.180 -3.002 -4.601) 9.854 8.969 ( 8.180 -3.002 4.601) 9.854 9.215 ( 1.917 1.487 -3.061) 3.906 9.215 ( -1.917 1.487 3.061) 3.906 9.482 ( -0.001 0.536 -1.465) 1.560 9.482 ( 0.001 0.536 1.465) 1.560 9.857 ( -2.469 0.060 -5.362) 5.903 9.857 ( 2.469 0.060 5.362) 5.903 10.228 ( -6.557 7.061 -5.038) 10.873 10.228 ( 6.557 7.061 5.038) 10.873 10.482 ( -5.457 -2.956 -0.145) 6.208 10.482 ( 5.457 -2.956 0.145) 6.208 11.173 ( 4.115 -3.092 -6.305) 8.139 11.173 ( -4.115 -3.092 6.305) 8.139 11.445 ( -1.960 -2.075 -1.429) 3.192 11.445 ( 1.960 -2.075 1.429) 3.192 11.772 ( -8.002 8.160 -2.685) 11.740 11.772 ( 8.002 8.160 2.685) 11.740 12.298 ( -3.277 1.235 -3.439) 4.909 12.298 ( 3.277 1.235 3.439) 4.909 12.457 ( -6.862 -10.644 -3.757) 13.209 12.457 ( 6.862 -10.644 3.757) 13.209 12.648 ( -0.712 7.105 -2.326) 7.510 12.648 ( 0.712 7.105 2.326) 7.510 13.420 ( 1.128 -2.200 -5.770) 6.277 13.420 ( -1.128 -2.200 5.770) 6.277 13.845 ( -0.380 7.184 -2.445) 7.598 13.845 ( 0.380 7.184 2.445) 7.598 14.480 ( -4.900 -6.336 -8.235) 11.488 14.480 ( 4.900 -6.336 8.235) 11.488 15.314 ( -2.348 2.002 -2.419) 3.921 15.314 ( 2.348 2.002 2.419) 3.921 15.451 ( -5.872 1.919 -5.551) 8.305 15.451 ( 5.872 1.919 5.551) 8.305 16.202 ( -2.913 -3.172 -4.663) 6.348 16.202 ( 2.913 -3.172 4.663) 6.348 16.490 ( -5.094 2.570 -5.786) 8.126 16.490 ( 5.094 2.570 5.786) 8.126 17.187 ( -3.433 -0.681 -3.554) 4.988 17.187 ( 3.433 -0.681 3.554) 4.988 17.498 ( -1.964 -0.556 -4.145) 4.620 17.498 ( 1.964 -0.556 4.145) 4.620 20.133 ( -0.022 -6.147 -2.808) 6.758 20.133 ( 0.022 -6.147 2.808) 6.758 20.514 ( -0.521 2.536 -3.078) 4.022 20.514 ( 0.521 2.536 3.078) 4.022 22.733 ( 1.452 2.850 -2.441) 4.024 22.733 ( -1.452 2.850 2.441) 4.024 22.935 ( -0.929 -0.848 -2.461) 2.764 22.935 ( 0.929 -0.848 2.461) 2.764 28.173 ( -5.756 -1.556 1.111) 6.066 28.173 ( 5.756 -1.556 -1.111) 6.066 28.375 ( -2.601 0.484 -8.466) 8.870 28.375 ( 2.601 0.484 8.466) 8.870 31.108 ( -0.328 1.223 -2.170) 2.513 31.108 ( 0.328 1.223 2.170) 2.513 31.248 ( -1.381 -1.663 -4.721) 5.192 31.248 ( 1.381 -1.663 4.721) 5.192 31.568 ( -0.369 -0.441 -4.398) 4.435 31.568 ( 0.369 -0.441 4.398) 4.435 31.908 ( 2.925 1.779 -13.570) 13.995 31.908 ( -2.925 1.779 13.570) 13.995 33.207 ( -0.001 -3.243 -5.277) 6.194 33.207 ( 0.001 -3.243 5.277) 6.194 33.514 ( 0.990 3.146 -5.061) 6.041 33.514 ( -0.990 3.146 5.061) 6.041 35.508 ( -0.352 -0.209 -1.367) 1.427 35.508 ( 0.352 -0.209 1.367) 1.427 35.922 ( 1.079 -0.104 -4.537) 4.665 35.922 ( -1.079 -0.104 4.537) 4.665 36.498 ( 6.195 -3.273 -5.787) 9.088 36.498 ( -6.195 -3.273 5.787) 9.088 37.609 ( -0.635 2.751 -10.982) 11.339 37.609 ( 0.635 2.751 10.982) 11.339 ======================= Grid point 231 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 25.461 0.000 -8.329) 26.788 1.751 ( 19.405 0.000 -19.672) 27.632 2.238 ( -12.805 -0.000 -9.890) 16.180 2.317 ( -7.699 -0.000 -5.744) 9.605 2.601 ( -0.242 -0.000 -1.116) 1.142 2.726 ( 14.973 0.000 -2.123) 15.123 2.756 ( 6.007 0.000 6.167) 8.609 2.954 ( -12.777 -0.000 3.720) 13.308 2.982 ( 1.088 0.000 -5.251) 5.362 3.154 ( -9.016 -0.000 3.701) 9.746 3.609 ( 3.138 0.000 5.214) 6.085 3.614 ( -2.048 -0.000 1.019) 2.288 3.867 ( 1.866 0.000 2.692) 3.275 3.979 ( -2.180 -0.000 5.524) 5.938 4.218 ( 1.782 0.000 3.817) 4.212 4.351 ( 10.491 0.000 -3.658) 11.110 4.538 ( -7.543 -0.000 5.932) 9.596 4.827 ( -2.405 -0.000 -4.162) 4.806 4.895 ( -4.006 -0.000 -1.862) 4.418 4.987 ( 1.369 0.000 0.271) 1.396 5.195 ( -0.980 -0.000 5.093) 5.187 5.312 ( -7.077 -0.000 2.670) 7.563 5.430 ( 3.183 0.000 -4.171) 5.247 5.713 ( 0.391 0.000 -4.427) 4.444 5.905 ( 4.299 0.000 3.654) 5.642 6.072 ( -0.297 -0.000 4.892) 4.901 6.203 ( 6.030 0.000 0.688) 6.069 6.271 ( 0.190 0.000 2.336) 2.343 6.628 ( -0.426 -0.000 0.320) 0.533 6.667 ( -0.274 -0.000 0.697) 0.749 7.760 ( 2.025 0.000 -2.675) 3.355 8.048 ( -10.722 -0.000 -9.666) 14.436 8.206 ( -1.322 -0.000 -0.022) 1.322 8.271 ( -0.117 -0.000 0.532) 0.544 9.058 ( 6.788 0.000 6.206) 9.198 9.091 ( 1.710 0.000 3.484) 3.881 9.220 ( 3.811 0.000 -4.483) 5.884 9.306 ( -0.884 -0.000 -2.746) 2.885 9.515 ( -0.222 -0.000 6.841) 6.845 9.628 ( -0.498 -0.000 2.639) 2.686 9.753 ( -2.233 -0.000 -7.865) 8.176 9.909 ( 3.906 0.000 1.056) 4.046 9.992 ( -5.319 -0.000 -5.564) 7.697 10.257 ( -2.210 -0.000 -3.230) 3.914 10.800 ( -9.316 -0.000 0.538) 9.331 10.820 ( 3.512 0.000 -9.942) 10.544 11.155 ( 1.721 0.000 4.289) 4.622 11.326 ( -4.161 -0.000 8.078) 9.086 11.382 ( -2.570 -0.000 -4.059) 4.804 11.600 ( -4.884 -0.000 -14.214) 15.029 11.695 ( 7.823 0.000 1.078) 7.897 11.910 ( -4.327 -0.000 -1.924) 4.735 12.403 ( 7.861 0.000 5.607) 9.656 12.438 ( 4.260 0.000 4.726) 6.363 12.512 ( 5.200 0.000 2.618) 5.822 12.601 ( 3.275 0.000 9.300) 9.860 12.710 ( 1.533 0.000 -5.141) 5.365 12.859 ( -4.025 -0.000 -0.352) 4.041 13.391 ( -1.353 -0.000 3.915) 4.143 13.486 ( -1.688 -0.000 -3.221) 3.636 13.587 ( 0.587 0.000 3.516) 3.565 13.672 ( -2.243 -0.000 -3.377) 4.055 14.452 ( -0.375 -0.000 0.153) 0.405 14.501 ( -2.410 -0.000 0.263) 2.424 14.716 ( 17.172 0.000 19.379) 25.893 14.994 ( 1.398 0.000 -1.056) 1.752 15.151 ( 2.280 0.000 8.236) 8.546 15.172 ( 3.658 0.000 -1.654) 4.015 15.593 ( 0.629 0.000 -2.132) 2.223 16.180 ( -8.940 -0.000 -14.372) 16.925 16.739 ( 1.505 0.000 3.139) 3.482 16.753 ( 2.529 0.000 1.146) 2.776 16.981 ( -0.497 -0.000 3.495) 3.530 16.989 ( 1.106 0.000 -0.046) 1.107 17.241 ( 4.004 0.000 3.129) 5.081 17.497 ( -2.230 -0.000 -5.158) 5.619 19.698 ( 0.806 0.000 -2.555) 2.679 19.952 ( -9.641 -0.000 -6.664) 11.720 20.943 ( 1.233 0.000 -1.809) 2.190 20.991 ( -3.012 -0.000 0.629) 3.077 22.157 ( -0.653 -0.000 6.549) 6.582 22.266 ( 1.294 0.000 -3.324) 3.567 23.366 ( 2.353 0.000 -4.609) 5.175 23.378 ( -3.041 -0.000 3.145) 4.375 26.964 ( 0.221 0.000 0.083) 0.236 26.970 ( -0.136 -0.000 0.118) 0.180 29.398 ( 3.555 0.000 1.006) 3.694 29.557 ( 0.178 0.000 -3.543) 3.547 30.596 ( 14.140 0.000 25.713) 29.345 30.757 ( 0.271 0.000 1.610) 1.633 30.804 ( -2.596 -0.000 2.292) 3.463 31.109 ( 2.120 0.000 -7.900) 8.179 31.477 ( -3.032 -0.000 3.462) 4.602 31.889 ( 0.585 0.000 -17.712) 17.722 32.069 ( 5.420 0.000 -10.085) 11.450 32.106 ( -0.780 -0.000 -2.785) 2.892 32.683 ( 5.494 0.000 -1.322) 5.651 32.828 ( 1.143 0.000 -7.495) 7.581 33.714 ( 6.673 0.000 -5.688) 8.768 33.779 ( -7.253 -0.000 9.187) 11.706 35.406 ( -0.431 -0.000 2.699) 2.734 35.443 ( 1.619 0.000 -2.388) 2.885 35.762 ( 5.247 0.000 -4.933) 7.202 35.839 ( -5.898 -0.000 5.317) 7.940 36.193 ( 0.372 0.000 -1.444) 1.491 36.329 ( -8.669 -0.000 -0.435) 8.680 37.947 ( 0.691 0.000 28.780) 28.788 38.746 ( -8.646 -0.000 -16.791) 18.886 ======================= Grid point 232 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 18.146 -4.597 -5.156) 19.417 1.811 ( 1.922 -1.134 -11.646) 11.858 2.009 ( -3.728 7.083 -0.806) 8.045 2.128 ( -11.806 1.816 -2.083) 12.125 2.684 ( 12.021 -5.195 -2.427) 13.318 2.753 ( 1.331 -8.073 2.857) 8.667 2.867 ( 5.745 -4.443 -7.104) 10.159 2.932 ( -4.958 2.020 3.871) 6.607 3.214 ( -4.446 -17.115 4.325) 18.204 3.256 ( -2.146 -14.936 -0.959) 15.120 3.593 ( 1.921 2.932 2.193) 4.135 3.630 ( -2.442 1.092 1.786) 3.216 3.858 ( 2.500 3.718 3.611) 5.754 3.940 ( -2.617 2.930 0.476) 3.957 4.264 ( 8.597 2.908 3.662) 9.786 4.416 ( 2.677 -1.347 -4.067) 5.052 4.528 ( -3.043 -0.558 4.631) 5.569 4.671 ( -11.547 2.840 -6.522) 13.562 4.882 ( 5.347 2.136 4.313) 7.194 5.013 ( -4.960 -1.656 -3.284) 6.175 5.228 ( 0.135 -0.745 2.862) 2.960 5.246 ( -2.144 3.497 1.544) 4.383 5.525 ( 8.767 -5.841 -1.748) 10.678 5.680 ( -8.835 -1.709 -0.950) 9.048 5.906 ( 7.706 5.021 0.041) 9.198 6.002 ( -4.107 6.073 -0.604) 7.356 6.238 ( 4.811 3.008 -0.586) 5.704 6.257 ( -1.723 2.933 3.997) 5.249 6.600 ( 1.194 2.631 1.583) 3.295 6.645 ( -1.633 1.476 -0.262) 2.217 7.778 ( 3.375 -0.183 1.899) 3.877 7.931 ( -8.506 -0.851 -9.180) 12.544 8.196 ( 2.863 1.430 1.278) 3.446 8.241 ( -0.826 2.413 1.021) 2.748 9.073 ( 4.562 5.833 5.888) 9.461 9.125 ( 1.477 3.070 2.938) 4.499 9.198 ( -0.217 -0.801 -5.870) 5.928 9.261 ( -4.673 1.101 -5.333) 7.176 9.586 ( 4.416 -0.933 9.723) 10.720 9.646 ( -1.704 0.423 0.572) 1.847 9.716 ( -0.756 -3.770 -3.087) 4.930 9.852 ( -4.436 -0.576 -10.110) 11.056 10.078 ( 5.992 -4.772 7.835) 10.958 10.244 ( -3.123 -3.497 -4.930) 6.803 10.709 ( -3.819 5.014 3.171) 7.056 10.741 ( 1.698 4.921 -8.206) 9.718 11.192 ( 0.506 1.757 5.219) 5.530 11.303 ( -3.792 2.844 -7.076) 8.517 11.338 ( -0.869 0.489 7.305) 7.373 11.439 ( -1.875 3.725 -9.206) 10.106 11.788 ( 6.438 -3.044 1.793) 7.343 11.893 ( -4.327 -2.586 -2.378) 5.574 12.360 ( 5.433 8.524 2.067) 10.317 12.403 ( 1.719 8.257 1.833) 8.631 12.529 ( 3.010 4.494 2.172) 5.829 12.588 ( -3.275 3.717 -0.228) 4.960 12.784 ( 4.934 -2.397 2.271) 5.938 12.836 ( -2.315 -1.568 0.673) 2.876 13.383 ( -1.610 1.815 5.395) 5.916 13.443 ( -0.460 1.928 -5.701) 6.035 13.651 ( 3.295 -4.023 2.673) 5.847 13.725 ( -2.852 -8.924 -1.546) 9.496 14.456 ( 2.778 1.825 3.230) 4.635 14.508 ( -1.450 -1.388 -1.493) 2.501 14.956 ( 5.718 -5.583 2.661) 8.423 15.044 ( -4.626 -6.415 0.163) 7.911 15.288 ( 3.072 -9.903 4.723) 11.393 15.341 ( 1.493 -11.672 2.199) 11.971 15.707 ( 6.822 -7.087 10.407) 14.320 16.031 ( -9.652 -2.246 -15.852) 18.694 16.681 ( 2.316 6.660 1.680) 7.248 16.711 ( -0.833 6.345 1.061) 6.487 17.000 ( 1.530 -1.798 1.912) 3.038 17.037 ( -1.493 -3.101 -0.723) 3.517 17.345 ( 4.512 -3.899 3.955) 7.156 17.463 ( -3.335 -2.004 -5.014) 6.347 19.738 ( 3.028 -3.344 -0.622) 4.555 19.843 ( -7.373 -0.382 -4.352) 8.569 20.895 ( 1.968 5.397 -1.593) 5.961 20.916 ( -2.568 5.916 1.051) 6.535 22.261 ( -0.235 -7.444 5.982) 9.553 22.317 ( 0.559 -6.983 -4.348) 8.245 23.315 ( 2.722 4.893 -4.309) 7.065 23.322 ( -3.491 5.076 3.310) 6.994 27.084 ( 2.150 -12.615 -0.165) 12.798 27.126 ( -3.995 -16.433 0.931) 16.938 29.292 ( 5.047 14.732 4.164) 16.120 29.414 ( -2.730 12.490 -5.418) 13.886 30.788 ( 3.459 -3.056 2.375) 5.191 30.823 ( -1.983 -2.895 1.448) 3.796 30.940 ( 6.785 -8.904 21.430) 24.178 31.164 ( -0.054 -8.620 -7.852) 11.660 31.511 ( 0.905 -1.048 8.039) 8.157 31.736 ( -1.710 3.013 -19.302) 19.610 31.991 ( 1.810 5.842 3.177) 6.892 32.084 ( 0.137 0.896 -11.176) 11.212 32.777 ( 4.786 -6.046 0.135) 7.712 32.857 ( -2.487 -6.476 -3.715) 7.870 33.716 ( 7.008 2.047 -5.994) 9.446 33.749 ( -7.163 2.282 7.839) 10.862 35.426 ( 0.234 -0.760 2.173) 2.314 35.448 ( 0.577 -0.929 -1.921) 2.211 35.810 ( 5.501 -3.334 -5.126) 8.225 35.844 ( -5.815 -2.424 4.665) 7.839 36.220 ( 0.945 -2.591 0.313) 2.776 36.274 ( -5.410 -1.003 -0.678) 5.543 38.052 ( 3.321 8.561 28.064) 29.528 38.433 ( -6.559 13.237 -23.352) 27.632 ======================= Grid point 233 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.545 -5.898 -5.001) 10.804 1.744 ( -7.545 -5.898 5.001) 10.804 2.051 ( 0.805 -3.685 -4.311) 5.728 2.051 ( -0.805 -3.685 4.311) 5.728 2.829 ( 0.787 3.206 -2.694) 4.261 2.829 ( -0.787 3.206 2.694) 4.261 3.054 ( -9.230 -17.789 -5.037) 20.664 3.054 ( 9.230 -17.789 5.037) 20.664 3.462 ( -10.287 -8.214 -4.098) 13.787 3.462 ( 10.287 -8.214 4.098) 13.787 3.560 ( -3.050 2.798 -3.806) 5.623 3.560 ( 3.050 2.798 3.806) 5.623 3.858 ( -4.462 1.702 -1.389) 4.973 3.858 ( 4.462 1.702 1.389) 4.973 4.313 ( -9.747 2.760 -6.142) 11.847 4.313 ( 9.747 2.760 6.142) 11.847 4.579 ( -3.870 -0.880 -1.352) 4.193 4.579 ( 3.870 -0.880 1.352) 4.193 4.953 ( -6.639 -0.638 -6.325) 9.192 4.953 ( 6.639 -0.638 6.325) 9.192 5.203 ( -2.667 1.918 -2.213) 3.960 5.203 ( 2.667 1.918 2.213) 3.960 5.630 ( 2.194 3.181 -6.142) 7.256 5.630 ( -2.194 3.181 6.142) 7.256 5.885 ( -0.250 0.245 -5.699) 5.710 5.885 ( 0.250 0.245 5.699) 5.710 6.169 ( 5.036 5.610 -4.305) 8.681 6.169 ( -5.036 5.610 4.305) 8.681 6.587 ( -1.230 2.512 -2.729) 3.908 6.587 ( 1.230 2.512 2.729) 3.908 7.842 ( -5.635 -0.227 -6.418) 8.544 7.842 ( 5.635 -0.227 6.418) 8.544 8.215 ( 2.768 -0.693 -3.574) 4.573 8.215 ( -2.768 -0.693 3.574) 4.573 9.004 ( -1.238 5.638 -2.080) 6.135 9.004 ( 1.238 5.638 2.080) 6.135 9.228 ( -4.184 -1.265 0.419) 4.391 9.228 ( 4.184 -1.265 -0.419) 4.391 9.603 ( -1.151 3.511 -1.611) 4.031 9.603 ( 1.151 3.511 1.611) 4.031 9.811 ( 0.448 -2.574 -3.583) 4.434 9.811 ( -0.448 -2.574 3.583) 4.434 10.267 ( -5.830 -5.627 -5.669) 9.889 10.267 ( 5.830 -5.627 5.669) 9.889 10.596 ( 2.636 7.965 -6.148) 10.401 10.596 ( -2.636 7.965 6.148) 10.401 11.167 ( -1.425 3.633 -4.997) 6.340 11.167 ( 1.425 3.633 4.997) 6.340 11.388 ( 1.003 -1.643 -5.204) 5.548 11.388 ( -1.003 -1.643 5.204) 5.548 11.902 ( -5.091 -2.834 -2.373) 6.291 11.902 ( 5.091 -2.834 2.373) 6.291 12.267 ( 1.679 4.903 -3.238) 6.111 12.267 ( -1.679 4.903 3.238) 6.111 12.455 ( -0.750 6.554 -2.117) 6.928 12.455 ( 0.750 6.554 2.117) 6.928 12.837 ( -3.601 0.727 -1.846) 4.111 12.837 ( 3.601 0.727 1.846) 4.111 13.374 ( 1.872 1.225 -5.673) 6.098 13.374 ( -1.872 1.225 5.673) 6.098 13.836 ( -6.700 -8.092 -4.251) 11.333 13.836 ( 6.700 -8.092 4.251) 11.333 14.443 ( -4.936 4.175 -2.958) 7.109 14.443 ( 4.936 4.175 2.958) 7.109 15.127 ( -2.469 -7.296 -2.505) 8.100 15.127 ( 2.469 -7.296 2.505) 8.100 15.510 ( 0.898 -7.610 -4.805) 9.044 15.510 ( -0.898 -7.610 4.805) 9.044 15.967 ( -5.188 -6.322 -12.241) 14.722 15.967 ( 5.188 -6.322 12.241) 14.722 16.599 ( -0.464 4.140 -0.192) 4.170 16.599 ( 0.464 4.140 0.192) 4.170 17.073 ( -1.335 -3.661 -3.044) 4.945 17.073 ( 1.335 -3.661 3.044) 4.945 17.454 ( -2.844 -2.232 -4.202) 5.543 17.454 ( 2.844 -2.232 4.202) 5.543 19.844 ( -2.759 -5.940 0.233) 6.553 19.844 ( 2.759 -5.940 -0.233) 6.553 20.775 ( 2.227 8.289 -3.096) 9.125 20.775 ( -2.227 8.289 3.096) 9.125 22.454 ( 0.786 -10.229 -4.760) 11.309 22.454 ( -0.786 -10.229 4.760) 11.309 23.198 ( 3.563 7.851 -5.364) 10.155 23.198 ( -3.563 7.851 5.364) 10.155 27.433 ( -7.807 -21.524 0.615) 22.905 27.433 ( 7.807 -21.524 -0.615) 22.905 29.050 ( -4.810 19.576 -7.271) 21.429 29.050 ( 4.810 19.576 7.271) 21.429 30.890 ( 0.080 -5.681 -1.161) 5.800 30.890 ( -0.080 -5.681 1.161) 5.800 31.243 ( -4.516 -7.939 -10.809) 14.151 31.243 ( 4.516 -7.939 10.809) 14.151 31.578 ( -1.840 2.863 -11.128) 11.637 31.578 ( 1.840 2.863 11.128) 11.637 31.970 ( -2.189 2.521 -12.785) 13.214 31.970 ( 2.189 2.521 12.785) 13.214 32.952 ( -2.617 -8.391 -2.902) 9.256 32.952 ( 2.617 -8.391 2.902) 9.256 33.680 ( 6.055 3.991 -6.978) 10.064 33.680 ( -6.055 3.991 6.978) 10.064 35.461 ( -0.164 -1.618 -1.898) 2.499 35.461 ( 0.164 -1.618 1.898) 2.499 35.879 ( 3.542 -2.668 -4.139) 6.066 35.879 ( -3.542 -2.668 4.139) 6.066 36.297 ( 1.330 -4.907 -3.262) 6.041 36.297 ( -1.330 -4.907 3.262) 6.041 38.001 ( -1.178 15.061 -24.222) 28.547 38.001 ( 1.178 15.061 24.222) 28.547 ======================= Grid point 243 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 5.20e-05 5.20e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -12.136 -0.000 -7.795) 14.424 1.724 ( 12.136 0.000 7.795) 14.424 2.045 ( 4.391 0.000 -3.523) 5.629 2.045 ( -4.391 -0.000 3.523) 5.629 2.760 ( -16.486 -0.000 3.561) 16.867 2.760 ( 16.486 0.000 -3.561) 16.867 2.840 ( 1.782 0.000 -3.648) 4.060 2.840 ( -1.782 -0.000 3.648) 4.060 3.039 ( 12.381 0.000 -4.920) 13.323 3.039 ( -12.381 -0.000 4.920) 13.323 3.637 ( -0.745 -0.000 -2.890) 2.984 3.637 ( 0.745 0.000 2.890) 2.984 3.938 ( -2.458 -0.000 -5.157) 5.713 3.938 ( 2.458 0.000 5.157) 5.713 4.391 ( -1.787 -0.000 -5.767) 6.038 4.391 ( 1.787 0.000 5.767) 6.038 4.568 ( -7.916 -0.000 -7.665) 11.019 4.568 ( 7.916 0.000 7.665) 11.019 4.957 ( -4.139 -0.000 -1.468) 4.392 4.957 ( 4.139 0.000 1.468) 4.392 5.245 ( -2.495 -0.000 -2.464) 3.507 5.245 ( 2.495 0.000 2.464) 3.507 5.559 ( -10.825 -0.000 -3.695) 11.438 5.559 ( 10.825 0.000 3.695) 11.438 6.019 ( -6.640 -0.000 -0.185) 6.643 6.019 ( 6.640 0.000 0.185) 6.643 6.286 ( 1.916 0.000 -0.885) 2.111 6.286 ( -1.916 -0.000 0.885) 2.111 6.642 ( -1.035 -0.000 -1.792) 2.069 6.642 ( 1.035 0.000 1.792) 2.069 7.827 ( -5.513 -0.000 -5.263) 7.622 7.827 ( 5.513 0.000 5.263) 7.622 8.243 ( -3.568 -0.000 -0.156) 3.571 8.243 ( 3.568 0.000 0.156) 3.571 9.160 ( 1.060 0.000 -3.592) 3.745 9.160 ( -1.060 -0.000 3.592) 3.745 9.237 ( -3.489 -0.000 -1.209) 3.693 9.237 ( 3.489 0.000 1.209) 3.693 9.643 ( -0.279 -0.000 -2.537) 2.552 9.643 ( 0.279 0.000 2.537) 2.552 9.689 ( -5.941 -0.000 -12.828) 14.137 9.689 ( 5.941 0.000 12.828) 14.137 10.139 ( -5.937 -0.000 -7.636) 9.673 10.139 ( 5.937 0.000 7.636) 9.673 10.757 ( 2.895 0.000 -7.475) 8.016 10.757 ( -2.895 -0.000 7.475) 8.016 11.258 ( -4.429 -0.000 -4.537) 6.340 11.258 ( 4.429 0.000 4.537) 6.340 11.411 ( -1.207 -0.000 -9.669) 9.744 11.411 ( 1.207 0.000 9.669) 9.744 11.815 ( -5.874 -0.000 -1.364) 6.031 11.815 ( 5.874 0.000 1.364) 6.031 12.513 ( 1.438 0.000 -2.418) 2.813 12.513 ( -1.438 -0.000 2.418) 2.813 12.578 ( 3.445 0.000 -3.554) 4.949 12.578 ( -3.445 -0.000 3.554) 4.949 12.803 ( -3.903 -0.000 1.189) 4.080 12.803 ( 3.903 0.000 -1.189) 4.080 13.429 ( -0.733 -0.000 -3.326) 3.406 13.429 ( 0.733 0.000 3.326) 3.406 13.622 ( -0.301 -0.000 -2.194) 2.215 13.622 ( 0.301 0.000 2.194) 2.215 14.465 ( -1.817 -0.000 -0.148) 1.823 14.465 ( 1.817 0.000 0.148) 1.823 14.974 ( -1.661 -0.000 -4.652) 4.939 14.974 ( 1.661 0.000 4.652) 4.939 15.217 ( 2.548 0.000 -0.983) 2.731 15.217 ( -2.548 -0.000 0.983) 2.731 15.813 ( -12.209 -0.000 -18.760) 22.383 15.813 ( 12.209 0.000 18.760) 22.383 16.773 ( 0.351 0.000 -1.236) 1.285 16.773 ( -0.351 -0.000 1.236) 1.285 16.998 ( 1.293 0.000 -1.867) 2.271 16.998 ( -1.293 -0.000 1.867) 2.271 17.372 ( -5.089 -0.000 -5.973) 7.847 17.372 ( 5.089 0.000 5.973) 7.847 19.758 ( -6.509 -0.000 -3.375) 7.332 19.758 ( 6.509 0.000 3.375) 7.332 20.956 ( 2.384 0.000 -0.865) 2.536 20.956 ( -2.384 -0.000 0.865) 2.536 22.222 ( 0.101 0.000 -5.597) 5.598 22.222 ( -0.101 -0.000 5.597) 5.598 23.364 ( 3.197 0.000 -3.450) 4.704 23.364 ( -3.197 -0.000 3.450) 4.704 26.968 ( -0.189 -0.000 0.014) 0.190 26.968 ( 0.189 0.000 -0.014) 0.190 29.488 ( -3.602 -0.000 -3.369) 4.932 29.488 ( 3.602 0.000 3.369) 4.932 30.782 ( -2.045 -0.000 0.619) 2.136 30.782 ( 2.045 0.000 -0.619) 2.136 31.009 ( 0.488 0.000 -19.935) 19.941 31.009 ( -0.488 -0.000 19.935) 19.941 31.603 ( -4.701 -0.000 -19.354) 19.916 31.603 ( 4.701 0.000 19.354) 19.916 32.069 ( -1.519 -0.000 -0.125) 1.524 32.069 ( 1.519 0.000 0.125) 1.524 32.756 ( -3.773 -0.000 -1.386) 4.020 32.756 ( 3.773 0.000 1.386) 4.020 33.754 ( 7.995 0.000 -7.639) 11.058 33.754 ( -7.995 -0.000 7.639) 11.058 35.432 ( 0.539 0.000 -2.613) 2.668 35.432 ( -0.539 -0.000 2.613) 2.668 35.797 ( 6.353 0.000 -4.767) 7.943 35.797 ( -6.353 -0.000 4.767) 7.943 36.222 ( -4.744 -0.000 0.337) 4.755 36.222 ( 4.744 0.000 -0.337) 4.755 38.344 ( -8.276 -0.000 -27.467) 28.686 38.344 ( 8.276 0.000 27.467) 28.686 =================== 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 3/41472 10.0 653.260 408.713 535.402 0.000 178.299 0.000 3/41472 20.0 91.496 73.710 73.287 0.000 16.093 0.000 3/41472 30.0 35.297 30.377 28.554 0.000 5.533 0.000 3/41472 40.0 19.956 17.690 16.188 0.000 2.941 0.000 3/41472 50.0 13.518 12.123 10.951 0.000 1.907 0.000 3/41472 60.0 10.135 9.112 8.185 0.000 1.389 0.000 3/41472 70.0 8.085 7.259 6.509 0.000 1.090 0.000 3/41472 80.0 6.720 6.017 5.395 0.000 0.898 0.000 3/41472 90.0 5.749 5.133 4.606 0.000 0.767 0.000 3/41472 100.0 5.024 4.475 4.019 0.000 0.671 0.000 3/41472 110.0 4.464 3.969 3.567 0.000 0.599 0.000 3/41472 120.0 4.019 3.569 3.209 0.000 0.542 0.000 3/41472 130.0 3.657 3.247 2.919 0.000 0.496 0.000 3/41472 140.0 3.358 2.983 2.680 0.000 0.459 0.000 3/41472 150.0 3.106 2.763 2.479 0.000 0.427 0.000 3/41472 160.0 2.891 2.577 2.308 0.000 0.400 0.000 3/41472 170.0 2.707 2.419 2.162 0.000 0.377 0.000 3/41472 180.0 2.546 2.284 2.035 0.000 0.356 0.000 3/41472 190.0 2.405 2.166 1.924 0.000 0.338 0.000 3/41472 200.0 2.281 2.063 1.826 0.000 0.322 0.000 3/41472 210.0 2.171 1.973 1.739 0.000 0.307 0.000 3/41472 220.0 2.072 1.893 1.662 0.000 0.293 0.000 3/41472 230.0 1.983 1.822 1.593 0.000 0.281 0.000 3/41472 240.0 1.903 1.759 1.530 0.000 0.269 0.000 3/41472 250.0 1.831 1.701 1.474 0.000 0.258 0.000 3/41472 260.0 1.765 1.650 1.423 0.000 0.248 0.000 3/41472 270.0 1.704 1.602 1.377 0.000 0.239 0.000 3/41472 280.0 1.649 1.559 1.334 0.000 0.230 0.000 3/41472 290.0 1.598 1.519 1.296 0.000 0.222 0.000 3/41472 300.0 1.551 1.483 1.260 0.000 0.214 0.000 3/41472 310.0 1.507 1.449 1.227 0.000 0.206 0.000 3/41472 320.0 1.467 1.417 1.196 0.000 0.199 0.000 3/41472 330.0 1.429 1.387 1.167 0.000 0.192 0.000 3/41472 340.0 1.394 1.359 1.141 0.000 0.186 0.000 3/41472 350.0 1.361 1.333 1.116 0.000 0.179 0.000 3/41472 360.0 1.329 1.308 1.092 0.000 0.173 0.000 3/41472 370.0 1.300 1.284 1.070 0.000 0.168 0.000 3/41472 380.0 1.272 1.261 1.049 0.000 0.162 0.000 3/41472 390.0 1.246 1.240 1.030 0.000 0.157 0.000 3/41472 400.0 1.221 1.219 1.011 0.000 0.152 0.000 3/41472 410.0 1.197 1.199 0.993 0.000 0.148 0.000 3/41472 420.0 1.174 1.180 0.976 0.000 0.143 0.000 3/41472 430.0 1.152 1.162 0.960 0.000 0.139 0.000 3/41472 440.0 1.132 1.144 0.944 0.000 0.135 0.000 3/41472 450.0 1.112 1.127 0.929 0.000 0.131 0.000 3/41472 460.0 1.093 1.111 0.915 0.000 0.127 0.000 3/41472 470.0 1.074 1.095 0.901 0.000 0.123 0.000 3/41472 480.0 1.057 1.079 0.887 0.000 0.120 0.000 3/41472 490.0 1.040 1.064 0.874 0.000 0.117 0.000 3/41472 500.0 1.023 1.049 0.862 0.000 0.113 0.000 3/41472 510.0 1.007 1.035 0.850 0.000 0.110 0.000 3/41472 520.0 0.992 1.021 0.838 0.000 0.108 0.000 3/41472 530.0 0.977 1.007 0.827 0.000 0.105 0.000 3/41472 540.0 0.963 0.994 0.816 0.000 0.102 0.000 3/41472 550.0 0.949 0.981 0.805 0.000 0.099 0.000 3/41472 560.0 0.935 0.969 0.794 0.000 0.097 0.000 3/41472 570.0 0.922 0.957 0.784 0.000 0.095 0.000 3/41472 580.0 0.910 0.945 0.774 0.000 0.092 0.000 3/41472 590.0 0.897 0.933 0.765 0.000 0.090 0.000 3/41472 600.0 0.885 0.922 0.755 0.000 0.088 0.000 3/41472 610.0 0.874 0.910 0.746 0.000 0.086 0.000 3/41472 620.0 0.862 0.900 0.737 0.000 0.084 0.000 3/41472 630.0 0.851 0.889 0.728 0.000 0.082 0.000 3/41472 640.0 0.840 0.878 0.720 0.000 0.080 0.000 3/41472 650.0 0.830 0.868 0.711 0.000 0.079 0.000 3/41472 660.0 0.819 0.858 0.703 0.000 0.077 0.000 3/41472 670.0 0.809 0.848 0.695 0.000 0.075 0.000 3/41472 680.0 0.800 0.839 0.687 0.000 0.074 0.000 3/41472 690.0 0.790 0.829 0.680 0.000 0.072 0.000 3/41472 700.0 0.781 0.820 0.672 0.000 0.071 0.000 3/41472 710.0 0.772 0.811 0.665 0.000 0.069 0.000 3/41472 720.0 0.763 0.802 0.658 0.000 0.068 0.000 3/41472 730.0 0.754 0.794 0.651 0.000 0.067 0.000 3/41472 740.0 0.745 0.785 0.644 0.000 0.065 0.000 3/41472 750.0 0.737 0.777 0.637 0.000 0.064 0.000 3/41472 760.0 0.729 0.769 0.630 0.000 0.063 0.000 3/41472 770.0 0.721 0.761 0.624 0.000 0.062 0.000 3/41472 780.0 0.713 0.753 0.617 0.000 0.061 0.000 3/41472 790.0 0.705 0.745 0.611 0.000 0.060 0.000 3/41472 800.0 0.698 0.737 0.605 0.000 0.059 0.000 3/41472 810.0 0.690 0.730 0.599 0.000 0.058 0.000 3/41472 820.0 0.683 0.723 0.593 0.000 0.057 0.000 3/41472 830.0 0.676 0.716 0.587 0.000 0.056 0.000 3/41472 840.0 0.669 0.708 0.582 0.000 0.055 0.000 3/41472 850.0 0.662 0.702 0.576 0.000 0.054 0.000 3/41472 860.0 0.656 0.695 0.570 0.000 0.053 0.000 3/41472 870.0 0.649 0.688 0.565 0.000 0.052 0.000 3/41472 880.0 0.643 0.682 0.560 0.000 0.051 0.000 3/41472 890.0 0.637 0.675 0.554 0.000 0.051 0.000 3/41472 900.0 0.630 0.669 0.549 0.000 0.050 0.000 3/41472 910.0 0.624 0.663 0.544 0.000 0.049 0.000 3/41472 920.0 0.618 0.656 0.539 0.000 0.048 0.000 3/41472 930.0 0.613 0.650 0.534 0.000 0.048 0.000 3/41472 940.0 0.607 0.645 0.530 0.000 0.047 0.000 3/41472 950.0 0.601 0.639 0.525 0.000 0.046 0.000 3/41472 960.0 0.596 0.633 0.520 0.000 0.046 0.000 3/41472 970.0 0.590 0.627 0.516 0.000 0.045 0.000 3/41472 980.0 0.585 0.622 0.511 0.000 0.044 0.000 3/41472 990.0 0.580 0.616 0.507 0.000 0.044 0.000 3/41472 1000.0 0.574 0.611 0.502 0.000 0.043 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:54:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|