----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:47:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.328052370000018 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): *1 O 0.56400357747569 0.49254844545495 0.89236765263444 15.999 2 O 0.43599642252431 0.99254844545495 0.60763234736556 15.999 3 O 0.43599642252431 0.50745155454505 0.10763234736556 15.999 4 O 0.56400357747569 0.00745155454505 0.39236765263444 15.999 *5 O 0.07821157402205 0.50663292560203 0.89361120245657 15.999 6 O 0.92178842597795 0.00663292560203 0.60638879754343 15.999 7 O 0.92178842597795 0.49336707439797 0.10638879754343 15.999 8 O 0.07821157402205 0.99336707439797 0.39361120245657 15.999 *9 O 0.69646878511182 0.48313327470656 0.66207545080195 15.999 10 O 0.30353121488818 0.98313327470656 0.83792454919805 15.999 11 O 0.30353121488818 0.51686672529344 0.33792454919804 15.999 12 O 0.69646878511182 0.01686672529344 0.16207545080196 15.999 *13 O 0.63659892621531 0.26849924718700 0.46011361209527 15.999 14 O 0.36340107378469 0.76849924718700 0.03988638790473 15.999 *15 O 0.21201319794109 0.48487999322955 0.65332788128832 15.999 16 O 0.36340107378469 0.73150075281300 0.53988638790473 15.999 *17 O 0.43266405287576 0.25921838804738 0.61508423756102 15.999 18 O 0.56733594712424 0.75921838804738 0.88491576243898 15.999 19 O 0.56733594712424 0.74078161195262 0.38491576243898 15.999 20 O 0.43266405287576 0.24078161195262 0.11508423756102 15.999 *21 O 0.07155582168368 0.26534153192012 0.47913901576143 15.999 22 O 0.92844417831632 0.76534153192012 0.02086098423857 15.999 23 O 0.92844417831632 0.73465846807988 0.52086098423857 15.999 24 O 0.07155582168368 0.23465846807988 0.97913901576143 15.999 *25 O 0.78971312855620 0.23717241978523 0.74744280140114 15.999 26 O 0.21028687144380 0.73717241978523 0.75255719859886 15.999 27 O 0.21028687144380 0.76282758021477 0.25255719859886 15.999 28 O 0.78971312855620 0.26282758021477 0.24744280140114 15.999 *29 O 0.23107586360447 0.23912695432872 0.76935948059978 15.999 30 O 0.76892413639553 0.73912695432872 0.73064051940022 15.999 31 O 0.76892413639553 0.76087304567128 0.23064051940022 15.999 32 O 0.23107586360447 0.26087304567128 0.26935948059978 15.999 33 O 0.21201319794109 0.01512000677045 0.15332788128832 15.999 34 O 0.78798680205891 0.51512000677045 0.34667211871168 15.999 35 O 0.78798680205891 0.98487999322955 0.84667211871168 15.999 36 O 0.63659892621531 0.23150075281300 0.96011361209527 15.999 *37 Al 0.65450941282292 0.32309260455142 0.61278264690006 26.982 38 Al 0.34549058717708 0.82309260455142 0.88721735309994 26.982 39 Al 0.34549058717708 0.67690739544858 0.38721735309994 26.982 40 Al 0.65450941282292 0.17690739544858 0.11278264690006 26.982 *41 Al 0.21540046232702 0.32087563819635 0.62706133126463 26.982 42 Al 0.78459953767298 0.82087563819635 0.87293866873537 26.982 43 Al 0.78459953767298 0.67912436180365 0.37293866873537 26.982 44 Al 0.21540046232702 0.17912436180366 0.12706133126463 26.982 *45 Y 0.83722998331998 0.37982374907436 0.91437179175721 88.906 46 Y 0.16277001668002 0.87982374907436 0.58562820824279 88.906 47 Y 0.16277001668002 0.62017625092564 0.08562820824279 88.906 48 Y 0.83722998331998 0.12017625092564 0.41437179175721 88.906 *49 Y 0.33951665224951 0.37329436891866 0.93796883589526 88.906 50 Y 0.66048334775049 0.87329436891866 0.56203116410474 88.906 51 Y 0.66048334775049 0.62670563108134 0.06203116410474 88.906 52 Y 0.33951665224951 0.12670563108134 0.43796883589526 88.906 *53 Y 0.02257644621937 0.40362378315604 0.30552488594654 88.906 54 Y 0.97742355378063 0.90362378315604 0.19447511405346 88.906 55 Y 0.97742355378063 0.59637621684396 0.69447511405346 88.906 56 Y 0.02257644621937 0.09637621684396 0.80552488594654 88.906 *57 Y 0.52316206885826 0.38895794669903 0.28393010728662 88.906 58 Y 0.47683793114174 0.88895794669903 0.21606989271338 88.906 59 Y 0.47683793114174 0.61104205330097 0.71606989271338 88.906 60 Y 0.52316206885826 0.11104205330097 0.78393010728662 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.328052370000018 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): *1 O 0.56400357747569 0.49254844545495 0.89236765263444 15.999 > 1 2 O 0.43599642252431 0.99254844545495 0.60763234736556 15.999 > 2 3 O 0.43599642252431 0.50745155454505 0.10763234736556 15.999 > 3 4 O 0.56400357747569 0.00745155454505 0.39236765263444 15.999 > 4 *5 O 0.07821157402205 0.50663292560203 0.89361120245657 15.999 > 5 6 O 0.92178842597795 0.00663292560203 0.60638879754343 15.999 > 6 7 O 0.92178842597795 0.49336707439797 0.10638879754343 15.999 > 7 8 O 0.07821157402205 0.99336707439797 0.39361120245657 15.999 > 8 *9 O 0.69646878511182 0.48313327470656 0.66207545080195 15.999 > 9 10 O 0.30353121488818 0.98313327470656 0.83792454919805 15.999 > 10 11 O 0.30353121488818 0.51686672529344 0.33792454919804 15.999 > 11 12 O 0.69646878511182 0.01686672529344 0.16207545080196 15.999 > 12 *13 O 0.63659892621531 0.26849924718700 0.46011361209527 15.999 > 13 14 O 0.36340107378469 0.76849924718700 0.03988638790473 15.999 > 14 *15 O 0.21201319794109 0.48487999322955 0.65332788128832 15.999 > 15 16 O 0.36340107378469 0.73150075281300 0.53988638790473 15.999 > 16 *17 O 0.43266405287576 0.25921838804738 0.61508423756102 15.999 > 17 18 O 0.56733594712424 0.75921838804738 0.88491576243898 15.999 > 18 19 O 0.56733594712424 0.74078161195262 0.38491576243898 15.999 > 19 20 O 0.43266405287576 0.24078161195262 0.11508423756102 15.999 > 20 *21 O 0.07155582168368 0.26534153192012 0.47913901576143 15.999 > 21 22 O 0.92844417831632 0.76534153192012 0.02086098423857 15.999 > 22 23 O 0.92844417831632 0.73465846807988 0.52086098423857 15.999 > 23 24 O 0.07155582168368 0.23465846807988 0.97913901576143 15.999 > 24 *25 O 0.78971312855620 0.23717241978523 0.74744280140114 15.999 > 25 26 O 0.21028687144380 0.73717241978523 0.75255719859886 15.999 > 26 27 O 0.21028687144380 0.76282758021477 0.25255719859886 15.999 > 27 28 O 0.78971312855620 0.26282758021477 0.24744280140114 15.999 > 28 *29 O 0.23107586360447 0.23912695432872 0.76935948059978 15.999 > 29 30 O 0.76892413639553 0.73912695432872 0.73064051940022 15.999 > 30 31 O 0.76892413639553 0.76087304567128 0.23064051940022 15.999 > 31 32 O 0.23107586360447 0.26087304567128 0.26935948059978 15.999 > 32 33 O 0.21201319794109 0.01512000677045 0.15332788128832 15.999 > 33 34 O 0.78798680205891 0.51512000677045 0.34667211871168 15.999 > 34 35 O 0.78798680205891 0.98487999322955 0.84667211871168 15.999 > 35 36 O 0.63659892621531 0.23150075281300 0.96011361209527 15.999 > 36 *37 Al 0.65450941282292 0.32309260455142 0.61278264690006 26.982 > 37 38 Al 0.34549058717708 0.82309260455142 0.88721735309994 26.982 > 38 39 Al 0.34549058717708 0.67690739544858 0.38721735309994 26.982 > 39 40 Al 0.65450941282292 0.17690739544858 0.11278264690006 26.982 > 40 *41 Al 0.21540046232702 0.32087563819635 0.62706133126463 26.982 > 41 42 Al 0.78459953767298 0.82087563819635 0.87293866873537 26.982 > 42 43 Al 0.78459953767298 0.67912436180365 0.37293866873537 26.982 > 43 44 Al 0.21540046232702 0.17912436180366 0.12706133126463 26.982 > 44 *45 Y 0.83722998331998 0.37982374907436 0.91437179175721 88.906 > 45 46 Y 0.16277001668002 0.87982374907436 0.58562820824279 88.906 > 46 47 Y 0.16277001668002 0.62017625092564 0.08562820824279 88.906 > 47 48 Y 0.83722998331998 0.12017625092564 0.41437179175721 88.906 > 48 *49 Y 0.33951665224951 0.37329436891866 0.93796883589526 88.906 > 49 50 Y 0.66048334775049 0.87329436891866 0.56203116410474 88.906 > 50 51 Y 0.66048334775049 0.62670563108134 0.06203116410474 88.906 > 51 52 Y 0.33951665224951 0.12670563108134 0.43796883589526 88.906 > 52 *53 Y 0.02257644621937 0.40362378315604 0.30552488594654 88.906 > 53 54 Y 0.97742355378063 0.90362378315604 0.19447511405346 88.906 > 54 55 Y 0.97742355378063 0.59637621684396 0.69447511405346 88.906 > 55 56 Y 0.02257644621937 0.09637621684396 0.80552488594654 88.906 > 56 *57 Y 0.52316206885826 0.38895794669903 0.28393010728662 88.906 > 57 58 Y 0.47683793114174 0.88895794669903 0.21606989271338 88.906 > 58 59 Y 0.47683793114174 0.61104205330097 0.71606989271338 88.906 > 59 60 Y 0.52316206885826 0.11104205330097 0.78393010728662 88.906 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.656104740000035 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): *1 O 0.28200178873785 0.49254844545495 0.89236765263444 15.999 > 1 2 O 0.78200178873785 0.49254844545495 0.89236765263444 15.999 > 1 3 O 0.21799821126215 0.99254844545495 0.60763234736556 15.999 > 2 4 O 0.71799821126215 0.99254844545495 0.60763234736556 15.999 > 2 5 O 0.21799821126215 0.50745155454505 0.10763234736556 15.999 > 3 6 O 0.71799821126215 0.50745155454505 0.10763234736556 15.999 > 3 7 O 0.28200178873785 0.00745155454505 0.39236765263444 15.999 > 4 8 O 0.78200178873785 0.00745155454505 0.39236765263444 15.999 > 4 *9 O 0.03910578701102 0.50663292560203 0.89361120245657 15.999 > 5 10 O 0.53910578701102 0.50663292560203 0.89361120245657 15.999 > 5 11 O 0.46089421298898 0.00663292560203 0.60638879754343 15.999 > 6 12 O 0.96089421298898 0.00663292560203 0.60638879754343 15.999 > 6 13 O 0.46089421298898 0.49336707439797 0.10638879754343 15.999 > 7 14 O 0.96089421298898 0.49336707439797 0.10638879754343 15.999 > 7 15 O 0.03910578701102 0.99336707439797 0.39361120245657 15.999 > 8 16 O 0.53910578701102 0.99336707439797 0.39361120245657 15.999 > 8 *17 O 0.34823439255591 0.48313327470656 0.66207545080195 15.999 > 9 18 O 0.84823439255591 0.48313327470656 0.66207545080195 15.999 > 9 19 O 0.15176560744409 0.98313327470656 0.83792454919805 15.999 > 10 20 O 0.65176560744409 0.98313327470656 0.83792454919805 15.999 > 10 21 O 0.15176560744409 0.51686672529344 0.33792454919804 15.999 > 11 22 O 0.65176560744409 0.51686672529344 0.33792454919804 15.999 > 11 23 O 0.34823439255591 0.01686672529344 0.16207545080196 15.999 > 12 24 O 0.84823439255591 0.01686672529344 0.16207545080196 15.999 > 12 *25 O 0.31829946310766 0.26849924718700 0.46011361209527 15.999 > 13 26 O 0.81829946310766 0.26849924718700 0.46011361209527 15.999 > 13 27 O 0.18170053689234 0.76849924718700 0.03988638790473 15.999 > 14 28 O 0.68170053689234 0.76849924718700 0.03988638790473 15.999 > 14 *29 O 0.10600659897055 0.48487999322955 0.65332788128832 15.999 > 15 30 O 0.60600659897055 0.48487999322955 0.65332788128832 15.999 > 15 31 O 0.18170053689234 0.73150075281300 0.53988638790473 15.999 > 16 32 O 0.68170053689234 0.73150075281300 0.53988638790473 15.999 > 16 *33 O 0.21633202643788 0.25921838804738 0.61508423756102 15.999 > 17 34 O 0.71633202643788 0.25921838804738 0.61508423756102 15.999 > 17 35 O 0.28366797356212 0.75921838804738 0.88491576243898 15.999 > 18 36 O 0.78366797356212 0.75921838804738 0.88491576243898 15.999 > 18 37 O 0.28366797356212 0.74078161195262 0.38491576243898 15.999 > 19 38 O 0.78366797356212 0.74078161195262 0.38491576243898 15.999 > 19 39 O 0.21633202643788 0.24078161195262 0.11508423756102 15.999 > 20 40 O 0.71633202643788 0.24078161195262 0.11508423756102 15.999 > 20 *41 O 0.03577791084184 0.26534153192012 0.47913901576143 15.999 > 21 42 O 0.53577791084184 0.26534153192012 0.47913901576143 15.999 > 21 43 O 0.46422208915816 0.76534153192012 0.02086098423857 15.999 > 22 44 O 0.96422208915816 0.76534153192012 0.02086098423857 15.999 > 22 45 O 0.46422208915816 0.73465846807988 0.52086098423857 15.999 > 23 46 O 0.96422208915816 0.73465846807988 0.52086098423857 15.999 > 23 47 O 0.03577791084184 0.23465846807988 0.97913901576143 15.999 > 24 48 O 0.53577791084184 0.23465846807988 0.97913901576143 15.999 > 24 *49 O 0.39485656427810 0.23717241978523 0.74744280140114 15.999 > 25 50 O 0.89485656427810 0.23717241978523 0.74744280140114 15.999 > 25 51 O 0.10514343572190 0.73717241978523 0.75255719859886 15.999 > 26 52 O 0.60514343572190 0.73717241978523 0.75255719859886 15.999 > 26 53 O 0.10514343572190 0.76282758021477 0.25255719859886 15.999 > 27 54 O 0.60514343572190 0.76282758021477 0.25255719859886 15.999 > 27 55 O 0.39485656427810 0.26282758021477 0.24744280140114 15.999 > 28 56 O 0.89485656427810 0.26282758021477 0.24744280140114 15.999 > 28 *57 O 0.11553793180224 0.23912695432872 0.76935948059978 15.999 > 29 58 O 0.61553793180224 0.23912695432872 0.76935948059978 15.999 > 29 59 O 0.38446206819776 0.73912695432872 0.73064051940022 15.999 > 30 60 O 0.88446206819776 0.73912695432872 0.73064051940022 15.999 > 30 61 O 0.38446206819776 0.76087304567128 0.23064051940022 15.999 > 31 62 O 0.88446206819776 0.76087304567128 0.23064051940022 15.999 > 31 63 O 0.11553793180224 0.26087304567128 0.26935948059978 15.999 > 32 64 O 0.61553793180224 0.26087304567128 0.26935948059978 15.999 > 32 65 O 0.10600659897055 0.01512000677045 0.15332788128832 15.999 > 33 66 O 0.60600659897055 0.01512000677045 0.15332788128832 15.999 > 33 67 O 0.39399340102945 0.51512000677045 0.34667211871168 15.999 > 34 68 O 0.89399340102945 0.51512000677045 0.34667211871168 15.999 > 34 69 O 0.39399340102945 0.98487999322955 0.84667211871168 15.999 > 35 70 O 0.89399340102945 0.98487999322955 0.84667211871168 15.999 > 35 71 O 0.31829946310766 0.23150075281300 0.96011361209527 15.999 > 36 72 O 0.81829946310766 0.23150075281300 0.96011361209527 15.999 > 36 *73 Al 0.32725470641146 0.32309260455142 0.61278264690006 26.982 > 37 74 Al 0.82725470641146 0.32309260455142 0.61278264690006 26.982 > 37 75 Al 0.17274529358854 0.82309260455142 0.88721735309994 26.982 > 38 76 Al 0.67274529358854 0.82309260455142 0.88721735309994 26.982 > 38 77 Al 0.17274529358854 0.67690739544858 0.38721735309994 26.982 > 39 78 Al 0.67274529358854 0.67690739544858 0.38721735309994 26.982 > 39 79 Al 0.32725470641146 0.17690739544858 0.11278264690006 26.982 > 40 80 Al 0.82725470641146 0.17690739544858 0.11278264690006 26.982 > 40 *81 Al 0.10770023116351 0.32087563819635 0.62706133126463 26.982 > 41 82 Al 0.60770023116351 0.32087563819635 0.62706133126463 26.982 > 41 83 Al 0.39229976883649 0.82087563819635 0.87293866873537 26.982 > 42 84 Al 0.89229976883649 0.82087563819635 0.87293866873537 26.982 > 42 85 Al 0.39229976883649 0.67912436180365 0.37293866873537 26.982 > 43 86 Al 0.89229976883649 0.67912436180365 0.37293866873537 26.982 > 43 87 Al 0.10770023116351 0.17912436180366 0.12706133126463 26.982 > 44 88 Al 0.60770023116351 0.17912436180366 0.12706133126463 26.982 > 44 *89 Y 0.41861499165999 0.37982374907436 0.91437179175721 88.906 > 45 90 Y 0.91861499165999 0.37982374907436 0.91437179175721 88.906 > 45 91 Y 0.08138500834001 0.87982374907436 0.58562820824279 88.906 > 46 92 Y 0.58138500834001 0.87982374907436 0.58562820824279 88.906 > 46 93 Y 0.08138500834001 0.62017625092564 0.08562820824279 88.906 > 47 94 Y 0.58138500834001 0.62017625092564 0.08562820824279 88.906 > 47 95 Y 0.41861499165999 0.12017625092564 0.41437179175721 88.906 > 48 96 Y 0.91861499165999 0.12017625092564 0.41437179175721 88.906 > 48 *97 Y 0.16975832612475 0.37329436891866 0.93796883589526 88.906 > 49 98 Y 0.66975832612475 0.37329436891866 0.93796883589526 88.906 > 49 99 Y 0.33024167387525 0.87329436891866 0.56203116410474 88.906 > 50 100 Y 0.83024167387525 0.87329436891866 0.56203116410474 88.906 > 50 101 Y 0.33024167387525 0.62670563108134 0.06203116410474 88.906 > 51 102 Y 0.83024167387525 0.62670563108134 0.06203116410474 88.906 > 51 103 Y 0.16975832612475 0.12670563108134 0.43796883589526 88.906 > 52 104 Y 0.66975832612475 0.12670563108134 0.43796883589526 88.906 > 52 *105 Y 0.01128822310969 0.40362378315604 0.30552488594654 88.906 > 53 106 Y 0.51128822310969 0.40362378315604 0.30552488594654 88.906 > 53 107 Y 0.48871177689031 0.90362378315604 0.19447511405346 88.906 > 54 108 Y 0.98871177689031 0.90362378315604 0.19447511405346 88.906 > 54 109 Y 0.48871177689031 0.59637621684396 0.69447511405346 88.906 > 55 110 Y 0.98871177689031 0.59637621684396 0.69447511405346 88.906 > 55 111 Y 0.01128822310969 0.09637621684396 0.80552488594654 88.906 > 56 112 Y 0.51128822310969 0.09637621684396 0.80552488594654 88.906 > 56 *113 Y 0.26158103442913 0.38895794669903 0.28393010728662 88.906 > 57 114 Y 0.76158103442913 0.38895794669903 0.28393010728662 88.906 > 57 115 Y 0.23841896557087 0.88895794669903 0.21606989271338 88.906 > 58 116 Y 0.73841896557087 0.88895794669903 0.21606989271338 88.906 > 58 117 Y 0.23841896557087 0.61104205330097 0.71606989271338 88.906 > 59 118 Y 0.73841896557087 0.61104205330097 0.71606989271338 88.906 > 59 119 Y 0.26158103442913 0.11104205330097 0.78393010728662 88.906 > 60 120 Y 0.76158103442913 0.11104205330097 0.78393010728662 88.906 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7701881 0.0000000 0.0236879 0.0000000 3.7320878 0.0000000 0.0236896 0.0000000 3.6514695 -------------------------- Born effective charges -------------------------- 1 O -2.5389702 -0.0675183 0.0435431 -0.0346025 -2.3575525 0.1825713 0.0540588 0.1358028 -2.4711349 2 O -2.5389702 0.0675183 0.0435431 0.0346025 -2.3575525 -0.1825713 0.0540588 -0.1358028 -2.4711349 3 O -2.5389702 -0.0675183 0.0435431 -0.0346025 -2.3575525 0.1825713 0.0540588 0.1358028 -2.4711349 4 O -2.5389702 0.0675183 0.0435431 0.0346025 -2.3575525 -0.1825713 0.0540588 -0.1358028 -2.4711349 5 O -2.4396187 0.0274700 -0.0394510 -0.0041412 -2.2120361 0.1985166 -0.0822117 0.1085147 -2.5544089 6 O -2.4396187 -0.0274700 -0.0394510 0.0041412 -2.2120361 -0.1985166 -0.0822117 -0.1085147 -2.5544089 7 O -2.4396187 0.0274700 -0.0394510 -0.0041412 -2.2120361 0.1985166 -0.0822117 0.1085147 -2.5544089 8 O -2.4396187 -0.0274700 -0.0394510 0.0041412 -2.2120361 -0.1985166 -0.0822117 -0.1085147 -2.5544089 9 O -2.3070959 -0.0124362 0.0147544 -0.0715832 -2.4419513 -0.2429249 0.0239808 -0.2153008 -1.7147955 10 O -2.3070959 0.0124362 0.0147544 0.0715832 -2.4419513 0.2429249 0.0239808 0.2153008 -1.7147955 11 O -2.3070959 -0.0124362 0.0147544 -0.0715832 -2.4419513 -0.2429249 0.0239808 -0.2153008 -1.7147955 12 O -2.3070959 0.0124362 0.0147544 0.0715832 -2.4419513 0.2429249 0.0239808 0.2153008 -1.7147955 13 O -2.0456193 0.2397096 0.1869505 0.1791031 -2.1151132 0.1732375 0.1119506 0.1492281 -2.4539210 14 O -2.0456193 -0.2397096 0.1869505 -0.1791031 -2.1151132 -0.1732375 0.1119506 -0.1492281 -2.4539210 15 O -2.3370843 0.0412373 -0.0628398 0.0995205 -2.5142754 -0.3338004 -0.0611912 -0.2990112 -1.6343678 16 O -2.0456193 0.2397096 0.1869505 0.1791031 -2.1151132 0.1732375 0.1119506 0.1492281 -2.4539210 17 O -2.1528314 0.0036238 -0.0217829 -0.0021471 -1.8490357 -0.1305323 0.0060748 -0.1602782 -2.0687617 18 O -2.1528314 -0.0036238 -0.0217829 0.0021471 -1.8490357 0.1305323 0.0060748 0.1602782 -2.0687617 19 O -2.1528314 0.0036238 -0.0217829 -0.0021471 -1.8490357 -0.1305323 0.0060748 -0.1602782 -2.0687617 20 O -2.1528314 -0.0036238 -0.0217829 0.0021471 -1.8490357 0.1305323 0.0060748 0.1602782 -2.0687617 21 O -2.0569453 -0.2892978 -0.2706314 -0.2323579 -2.1719336 -0.0448132 -0.2037231 -0.0150837 -2.2831919 22 O -2.0569453 0.2892978 -0.2706314 0.2323579 -2.1719336 0.0448132 -0.2037231 0.0150837 -2.2831919 23 O -2.0569453 -0.2892978 -0.2706314 -0.2323579 -2.1719336 -0.0448132 -0.2037231 -0.0150837 -2.2831919 24 O -2.0569453 0.2892978 -0.2706314 0.2323579 -2.1719336 0.0448132 -0.2037231 0.0150837 -2.2831919 25 O -2.1542825 0.3527714 -0.2310435 0.2557055 -2.3382347 -0.0554438 -0.1545427 -0.0985220 -2.0600758 26 O -2.1542825 -0.3527714 -0.2310435 -0.2557055 -2.3382347 0.0554438 -0.1545427 0.0985220 -2.0600758 27 O -2.1542825 0.3527714 -0.2310435 0.2557055 -2.3382347 -0.0554438 -0.1545427 -0.0985220 -2.0600758 28 O -2.1542825 -0.3527714 -0.2310435 -0.2557055 -2.3382347 0.0554438 -0.1545427 0.0985220 -2.0600758 29 O -2.1848954 -0.2926630 0.1584017 -0.1746241 -2.2842635 -0.2353282 0.0973564 -0.2161711 -2.1924561 30 O -2.1848954 0.2926630 0.1584017 0.1746241 -2.2842635 0.2353282 0.0973564 0.2161711 -2.1924561 31 O -2.1848954 -0.2926630 0.1584017 -0.1746241 -2.2842635 -0.2353282 0.0973564 -0.2161711 -2.1924561 32 O -2.1848954 0.2926630 0.1584017 0.1746241 -2.2842635 0.2353282 0.0973564 0.2161711 -2.1924561 33 O -2.3370843 -0.0412373 -0.0628398 -0.0995205 -2.5142754 0.3338004 -0.0611912 0.2990112 -1.6343678 34 O -2.3370843 0.0412373 -0.0628398 0.0995205 -2.5142754 -0.3338004 -0.0611912 -0.2990112 -1.6343678 35 O -2.3370843 -0.0412373 -0.0628398 -0.0995205 -2.5142754 0.3338004 -0.0611912 0.2990112 -1.6343678 36 O -2.0456193 -0.2397096 0.1869505 -0.1791031 -2.1151132 -0.1732375 0.1119506 -0.1492281 -2.4539210 37 Al 2.1738811 0.1365923 0.0488933 0.2279648 2.6546819 0.2380328 0.0100751 0.3114401 2.8836863 38 Al 2.1738811 -0.1365923 0.0488933 -0.2279648 2.6546819 -0.2380328 0.0100751 -0.3114401 2.8836863 39 Al 2.1738811 0.1365923 0.0488933 0.2279648 2.6546819 0.2380328 0.0100751 0.3114401 2.8836863 40 Al 2.1738811 -0.1365923 0.0488933 -0.2279648 2.6546819 -0.2380328 0.0100751 -0.3114401 2.8836863 41 Al 2.1783220 -0.1409107 0.0084962 -0.2251533 2.6827727 0.2772208 0.0027162 0.2803455 2.8057624 42 Al 2.1783220 0.1409107 0.0084962 0.2251533 2.6827727 -0.2772208 0.0027162 -0.2803455 2.8057624 43 Al 2.1783220 -0.1409107 0.0084962 -0.2251533 2.6827727 0.2772208 0.0027162 0.2803455 2.8057624 44 Al 2.1783220 0.1409107 0.0084962 0.2251533 2.6827727 -0.2772208 0.0027162 -0.2803455 2.8057624 45 Y 4.0549390 -0.0890523 0.0104273 -0.0743992 3.7644930 0.3398054 0.0612358 0.3962777 3.2269742 46 Y 4.0549390 0.0890523 0.0104273 0.0743992 3.7644930 -0.3398054 0.0612358 -0.3962777 3.2269742 47 Y 4.0549390 -0.0890523 0.0104273 -0.0743992 3.7644930 0.3398054 0.0612358 0.3962777 3.2269742 48 Y 4.0549390 0.0890523 0.0104273 0.0743992 3.7644930 -0.3398054 0.0612358 -0.3962777 3.2269742 49 Y 3.7818253 0.0822131 0.0790837 0.0689769 3.7073626 0.2126443 0.0394779 0.2150480 3.5756094 50 Y 3.7818253 -0.0822131 0.0790837 -0.0689769 3.7073626 -0.2126443 0.0394779 -0.2150480 3.5756094 51 Y 3.7818253 0.0822131 0.0790837 0.0689769 3.7073626 0.2126443 0.0394779 0.2150480 3.5756094 52 Y 3.7818253 -0.0822131 0.0790837 -0.0689769 3.7073626 -0.2126443 0.0394779 -0.2150480 3.5756094 53 Y 4.2490808 0.0511247 -0.0273626 0.0462162 3.7408086 -0.4991710 0.0082935 -0.5955888 3.3330195 54 Y 4.2490808 -0.0511247 -0.0273626 -0.0462162 3.7408086 0.4991710 0.0082935 0.5955888 3.3330195 55 Y 4.2490808 0.0511247 -0.0273626 0.0462162 3.7408086 -0.4991710 0.0082935 -0.5955888 3.3330195 56 Y 4.2490808 -0.0511247 -0.0273626 -0.0462162 3.7408086 0.4991710 0.0082935 0.5955888 3.3330195 57 Y 3.7792949 -0.0171231 0.1025611 -0.0136093 3.7342772 -0.3981047 0.0864487 -0.4277822 3.6080617 58 Y 3.7792949 0.0171231 0.1025611 0.0136093 3.7342772 0.3981047 0.0864487 0.4277822 3.6080617 59 Y 3.7792949 -0.0171231 0.1025611 -0.0136093 3.7342772 -0.3981047 0.0864487 -0.4277822 3.6080617 60 Y 3.7792949 0.0171231 0.1025611 0.0136093 3.7342772 0.3981047 0.0864487 0.4277822 3.6080617 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (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: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (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: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (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: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (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: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.614 Solver_block: 200 / 1840 - Time: 2.388 Solver_block: 300 / 1840 - Time: 2.603 Solver_block: 400 / 1840 - Time: 3.163 Solver_block: 500 / 1840 - Time: 3.320 Solver_block: 600 / 1840 - Time: 2.458 Solver_block: 700 / 1840 - Time: 2.305 Solver_block: 800 / 1840 - Time: 2.363 Solver_block: 900 / 1840 - Time: 2.404 Solver_block: 1000 / 1840 - Time: 3.018 Solver_block: 1100 / 1840 - Time: 2.537 Solver_block: 1200 / 1840 - Time: 2.423 Solver_block: 1300 / 1840 - Time: 3.291 Solver_block: 1400 / 1840 - Time: 3.131 Solver_block: 1500 / 1840 - Time: 3.150 Solver_block: 1600 / 1840 - Time: 2.669 Solver_block: 1700 / 1840 - Time: 2.489 Solver_block: 1800 / 1840 - Time: 3.515 Solver_block: 1840 / 1840 - Time: 1.315 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 54.097 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (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: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (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: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (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: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (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: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 20:50:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:50:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.328052370000018 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): 1 O 0.56400357747569 0.49254844545495 0.89236765263444 15.999 2 O 0.43599642252431 0.99254844545495 0.60763234736556 15.999 3 O 0.43599642252431 0.50745155454505 0.10763234736556 15.999 4 O 0.56400357747569 0.00745155454505 0.39236765263444 15.999 5 O 0.07821157402205 0.50663292560203 0.89361120245657 15.999 6 O 0.92178842597795 0.00663292560203 0.60638879754343 15.999 7 O 0.92178842597795 0.49336707439797 0.10638879754343 15.999 8 O 0.07821157402205 0.99336707439797 0.39361120245657 15.999 9 O 0.69646878511182 0.48313327470656 0.66207545080195 15.999 10 O 0.30353121488818 0.98313327470656 0.83792454919805 15.999 11 O 0.30353121488818 0.51686672529344 0.33792454919804 15.999 12 O 0.69646878511182 0.01686672529344 0.16207545080196 15.999 13 O 0.63659892621531 0.26849924718700 0.46011361209527 15.999 14 O 0.36340107378469 0.76849924718700 0.03988638790473 15.999 15 O 0.21201319794109 0.48487999322955 0.65332788128832 15.999 16 O 0.36340107378469 0.73150075281300 0.53988638790473 15.999 17 O 0.43266405287576 0.25921838804738 0.61508423756102 15.999 18 O 0.56733594712424 0.75921838804738 0.88491576243898 15.999 19 O 0.56733594712424 0.74078161195262 0.38491576243898 15.999 20 O 0.43266405287576 0.24078161195262 0.11508423756102 15.999 21 O 0.07155582168368 0.26534153192012 0.47913901576143 15.999 22 O 0.92844417831632 0.76534153192012 0.02086098423857 15.999 23 O 0.92844417831632 0.73465846807988 0.52086098423857 15.999 24 O 0.07155582168368 0.23465846807988 0.97913901576143 15.999 25 O 0.78971312855620 0.23717241978523 0.74744280140114 15.999 26 O 0.21028687144380 0.73717241978523 0.75255719859886 15.999 27 O 0.21028687144380 0.76282758021477 0.25255719859886 15.999 28 O 0.78971312855620 0.26282758021477 0.24744280140114 15.999 29 O 0.23107586360447 0.23912695432872 0.76935948059978 15.999 30 O 0.76892413639553 0.73912695432872 0.73064051940022 15.999 31 O 0.76892413639553 0.76087304567128 0.23064051940022 15.999 32 O 0.23107586360447 0.26087304567128 0.26935948059978 15.999 33 O 0.21201319794109 0.01512000677045 0.15332788128832 15.999 34 O 0.78798680205891 0.51512000677045 0.34667211871168 15.999 35 O 0.78798680205891 0.98487999322955 0.84667211871168 15.999 36 O 0.63659892621531 0.23150075281300 0.96011361209527 15.999 37 Al 0.65450941282292 0.32309260455142 0.61278264690006 26.982 38 Al 0.34549058717708 0.82309260455142 0.88721735309994 26.982 39 Al 0.34549058717708 0.67690739544858 0.38721735309994 26.982 40 Al 0.65450941282292 0.17690739544858 0.11278264690006 26.982 41 Al 0.21540046232702 0.32087563819635 0.62706133126463 26.982 42 Al 0.78459953767298 0.82087563819635 0.87293866873537 26.982 43 Al 0.78459953767298 0.67912436180365 0.37293866873537 26.982 44 Al 0.21540046232702 0.17912436180366 0.12706133126463 26.982 45 Y 0.83722998331998 0.37982374907436 0.91437179175721 88.906 46 Y 0.16277001668002 0.87982374907436 0.58562820824279 88.906 47 Y 0.16277001668002 0.62017625092564 0.08562820824279 88.906 48 Y 0.83722998331998 0.12017625092564 0.41437179175721 88.906 49 Y 0.33951665224951 0.37329436891866 0.93796883589526 88.906 50 Y 0.66048334775049 0.87329436891866 0.56203116410474 88.906 51 Y 0.66048334775049 0.62670563108134 0.06203116410474 88.906 52 Y 0.33951665224951 0.12670563108134 0.43796883589526 88.906 53 Y 0.02257644621937 0.40362378315604 0.30552488594654 88.906 54 Y 0.97742355378063 0.90362378315604 0.19447511405346 88.906 55 Y 0.97742355378063 0.59637621684396 0.69447511405346 88.906 56 Y 0.02257644621937 0.09637621684396 0.80552488594654 88.906 57 Y 0.52316206885826 0.38895794669903 0.28393010728662 88.906 58 Y 0.47683793114174 0.88895794669903 0.21606989271338 88.906 59 Y 0.47683793114174 0.61104205330097 0.71606989271338 88.906 60 Y 0.52316206885826 0.11104205330097 0.78393010728662 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.656104740000035 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): 1 O 0.28200178873785 0.49254844545495 0.89236765263444 15.999 > 1 2 O 0.78200178873785 0.49254844545495 0.89236765263444 15.999 > 1 3 O 0.21799821126215 0.99254844545495 0.60763234736556 15.999 > 3 4 O 0.71799821126215 0.99254844545495 0.60763234736556 15.999 > 3 5 O 0.21799821126215 0.50745155454505 0.10763234736556 15.999 > 5 6 O 0.71799821126215 0.50745155454505 0.10763234736556 15.999 > 5 7 O 0.28200178873785 0.00745155454505 0.39236765263444 15.999 > 7 8 O 0.78200178873785 0.00745155454505 0.39236765263444 15.999 > 7 9 O 0.03910578701102 0.50663292560203 0.89361120245657 15.999 > 9 10 O 0.53910578701102 0.50663292560203 0.89361120245657 15.999 > 9 11 O 0.46089421298898 0.00663292560203 0.60638879754343 15.999 > 11 12 O 0.96089421298898 0.00663292560203 0.60638879754343 15.999 > 11 13 O 0.46089421298898 0.49336707439797 0.10638879754343 15.999 > 13 14 O 0.96089421298898 0.49336707439797 0.10638879754343 15.999 > 13 15 O 0.03910578701102 0.99336707439797 0.39361120245657 15.999 > 15 16 O 0.53910578701102 0.99336707439797 0.39361120245657 15.999 > 15 17 O 0.34823439255591 0.48313327470656 0.66207545080195 15.999 > 17 18 O 0.84823439255591 0.48313327470656 0.66207545080195 15.999 > 17 19 O 0.15176560744409 0.98313327470656 0.83792454919805 15.999 > 19 20 O 0.65176560744409 0.98313327470656 0.83792454919805 15.999 > 19 21 O 0.15176560744409 0.51686672529344 0.33792454919804 15.999 > 21 22 O 0.65176560744409 0.51686672529344 0.33792454919804 15.999 > 21 23 O 0.34823439255591 0.01686672529344 0.16207545080196 15.999 > 23 24 O 0.84823439255591 0.01686672529344 0.16207545080196 15.999 > 23 25 O 0.31829946310766 0.26849924718700 0.46011361209527 15.999 > 25 26 O 0.81829946310766 0.26849924718700 0.46011361209527 15.999 > 25 27 O 0.18170053689234 0.76849924718700 0.03988638790473 15.999 > 27 28 O 0.68170053689234 0.76849924718700 0.03988638790473 15.999 > 27 29 O 0.10600659897055 0.48487999322955 0.65332788128832 15.999 > 29 30 O 0.60600659897055 0.48487999322955 0.65332788128832 15.999 > 29 31 O 0.18170053689234 0.73150075281300 0.53988638790473 15.999 > 31 32 O 0.68170053689234 0.73150075281300 0.53988638790473 15.999 > 31 33 O 0.21633202643788 0.25921838804738 0.61508423756102 15.999 > 33 34 O 0.71633202643788 0.25921838804738 0.61508423756102 15.999 > 33 35 O 0.28366797356212 0.75921838804738 0.88491576243898 15.999 > 35 36 O 0.78366797356212 0.75921838804738 0.88491576243898 15.999 > 35 37 O 0.28366797356212 0.74078161195262 0.38491576243898 15.999 > 37 38 O 0.78366797356212 0.74078161195262 0.38491576243898 15.999 > 37 39 O 0.21633202643788 0.24078161195262 0.11508423756102 15.999 > 39 40 O 0.71633202643788 0.24078161195262 0.11508423756102 15.999 > 39 41 O 0.03577791084184 0.26534153192012 0.47913901576143 15.999 > 41 42 O 0.53577791084184 0.26534153192012 0.47913901576143 15.999 > 41 43 O 0.46422208915816 0.76534153192012 0.02086098423857 15.999 > 43 44 O 0.96422208915816 0.76534153192012 0.02086098423857 15.999 > 43 45 O 0.46422208915816 0.73465846807988 0.52086098423857 15.999 > 45 46 O 0.96422208915816 0.73465846807988 0.52086098423857 15.999 > 45 47 O 0.03577791084184 0.23465846807988 0.97913901576143 15.999 > 47 48 O 0.53577791084184 0.23465846807988 0.97913901576143 15.999 > 47 49 O 0.39485656427810 0.23717241978523 0.74744280140114 15.999 > 49 50 O 0.89485656427810 0.23717241978523 0.74744280140114 15.999 > 49 51 O 0.10514343572190 0.73717241978523 0.75255719859886 15.999 > 51 52 O 0.60514343572190 0.73717241978523 0.75255719859886 15.999 > 51 53 O 0.10514343572190 0.76282758021477 0.25255719859886 15.999 > 53 54 O 0.60514343572190 0.76282758021477 0.25255719859886 15.999 > 53 55 O 0.39485656427810 0.26282758021477 0.24744280140114 15.999 > 55 56 O 0.89485656427810 0.26282758021477 0.24744280140114 15.999 > 55 57 O 0.11553793180224 0.23912695432872 0.76935948059978 15.999 > 57 58 O 0.61553793180224 0.23912695432872 0.76935948059978 15.999 > 57 59 O 0.38446206819776 0.73912695432872 0.73064051940022 15.999 > 59 60 O 0.88446206819776 0.73912695432872 0.73064051940022 15.999 > 59 61 O 0.38446206819776 0.76087304567128 0.23064051940022 15.999 > 61 62 O 0.88446206819776 0.76087304567128 0.23064051940022 15.999 > 61 63 O 0.11553793180224 0.26087304567128 0.26935948059978 15.999 > 63 64 O 0.61553793180224 0.26087304567128 0.26935948059978 15.999 > 63 65 O 0.10600659897055 0.01512000677045 0.15332788128832 15.999 > 65 66 O 0.60600659897055 0.01512000677045 0.15332788128832 15.999 > 65 67 O 0.39399340102945 0.51512000677045 0.34667211871168 15.999 > 67 68 O 0.89399340102945 0.51512000677045 0.34667211871168 15.999 > 67 69 O 0.39399340102945 0.98487999322955 0.84667211871168 15.999 > 69 70 O 0.89399340102945 0.98487999322955 0.84667211871168 15.999 > 69 71 O 0.31829946310766 0.23150075281300 0.96011361209527 15.999 > 71 72 O 0.81829946310766 0.23150075281300 0.96011361209527 15.999 > 71 73 Al 0.32725470641146 0.32309260455142 0.61278264690006 26.982 > 73 74 Al 0.82725470641146 0.32309260455142 0.61278264690006 26.982 > 73 75 Al 0.17274529358854 0.82309260455142 0.88721735309994 26.982 > 75 76 Al 0.67274529358854 0.82309260455142 0.88721735309994 26.982 > 75 77 Al 0.17274529358854 0.67690739544858 0.38721735309994 26.982 > 77 78 Al 0.67274529358854 0.67690739544858 0.38721735309994 26.982 > 77 79 Al 0.32725470641146 0.17690739544858 0.11278264690006 26.982 > 79 80 Al 0.82725470641146 0.17690739544858 0.11278264690006 26.982 > 79 81 Al 0.10770023116351 0.32087563819635 0.62706133126463 26.982 > 81 82 Al 0.60770023116351 0.32087563819635 0.62706133126463 26.982 > 81 83 Al 0.39229976883649 0.82087563819635 0.87293866873537 26.982 > 83 84 Al 0.89229976883649 0.82087563819635 0.87293866873537 26.982 > 83 85 Al 0.39229976883649 0.67912436180365 0.37293866873537 26.982 > 85 86 Al 0.89229976883649 0.67912436180365 0.37293866873537 26.982 > 85 87 Al 0.10770023116351 0.17912436180366 0.12706133126463 26.982 > 87 88 Al 0.60770023116351 0.17912436180366 0.12706133126463 26.982 > 87 89 Y 0.41861499165999 0.37982374907436 0.91437179175721 88.906 > 89 90 Y 0.91861499165999 0.37982374907436 0.91437179175721 88.906 > 89 91 Y 0.08138500834001 0.87982374907436 0.58562820824279 88.906 > 91 92 Y 0.58138500834001 0.87982374907436 0.58562820824279 88.906 > 91 93 Y 0.08138500834001 0.62017625092564 0.08562820824279 88.906 > 93 94 Y 0.58138500834001 0.62017625092564 0.08562820824279 88.906 > 93 95 Y 0.41861499165999 0.12017625092564 0.41437179175721 88.906 > 95 96 Y 0.91861499165999 0.12017625092564 0.41437179175721 88.906 > 95 97 Y 0.16975832612475 0.37329436891866 0.93796883589526 88.906 > 97 98 Y 0.66975832612475 0.37329436891866 0.93796883589526 88.906 > 97 99 Y 0.33024167387525 0.87329436891866 0.56203116410474 88.906 > 99 100 Y 0.83024167387525 0.87329436891866 0.56203116410474 88.906 > 99 101 Y 0.33024167387525 0.62670563108134 0.06203116410474 88.906 > 101 102 Y 0.83024167387525 0.62670563108134 0.06203116410474 88.906 > 101 103 Y 0.16975832612475 0.12670563108134 0.43796883589526 88.906 > 103 104 Y 0.66975832612475 0.12670563108134 0.43796883589526 88.906 > 103 105 Y 0.01128822310969 0.40362378315604 0.30552488594654 88.906 > 105 106 Y 0.51128822310969 0.40362378315604 0.30552488594654 88.906 > 105 107 Y 0.48871177689031 0.90362378315604 0.19447511405346 88.906 > 107 108 Y 0.98871177689031 0.90362378315604 0.19447511405346 88.906 > 107 109 Y 0.48871177689031 0.59637621684396 0.69447511405346 88.906 > 109 110 Y 0.98871177689031 0.59637621684396 0.69447511405346 88.906 > 109 111 Y 0.01128822310969 0.09637621684396 0.80552488594654 88.906 > 111 112 Y 0.51128822310969 0.09637621684396 0.80552488594654 88.906 > 111 113 Y 0.26158103442913 0.38895794669903 0.28393010728662 88.906 > 113 114 Y 0.76158103442913 0.38895794669903 0.28393010728662 88.906 > 113 115 Y 0.23841896557087 0.88895794669903 0.21606989271338 88.906 > 115 116 Y 0.73841896557087 0.88895794669903 0.21606989271338 88.906 > 115 117 Y 0.23841896557087 0.61104205330097 0.71606989271338 88.906 > 117 118 Y 0.73841896557087 0.61104205330097 0.71606989271338 88.906 > 117 119 Y 0.26158103442913 0.11104205330097 0.78393010728662 88.906 > 119 120 Y 0.76158103442913 0.11104205330097 0.78393010728662 88.906 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7701881 0.0000000 0.0236879 0.0000000 3.7320878 0.0000000 0.0236896 0.0000000 3.6514695 -------------------------- Born effective charges -------------------------- 1 O -2.5389702 -0.0675183 0.0435431 -0.0346025 -2.3575525 0.1825713 0.0540588 0.1358028 -2.4711349 2 O -2.5389702 0.0675183 0.0435431 0.0346025 -2.3575525 -0.1825713 0.0540588 -0.1358028 -2.4711349 3 O -2.5389702 -0.0675183 0.0435431 -0.0346025 -2.3575525 0.1825713 0.0540588 0.1358028 -2.4711349 4 O -2.5389702 0.0675183 0.0435431 0.0346025 -2.3575525 -0.1825713 0.0540588 -0.1358028 -2.4711349 5 O -2.4396187 0.0274700 -0.0394510 -0.0041412 -2.2120361 0.1985166 -0.0822117 0.1085147 -2.5544089 6 O -2.4396187 -0.0274700 -0.0394510 0.0041412 -2.2120361 -0.1985166 -0.0822117 -0.1085147 -2.5544089 7 O -2.4396187 0.0274700 -0.0394510 -0.0041412 -2.2120361 0.1985166 -0.0822117 0.1085147 -2.5544089 8 O -2.4396187 -0.0274700 -0.0394510 0.0041412 -2.2120361 -0.1985166 -0.0822117 -0.1085147 -2.5544089 9 O -2.3070959 -0.0124362 0.0147544 -0.0715832 -2.4419513 -0.2429249 0.0239808 -0.2153008 -1.7147955 10 O -2.3070959 0.0124362 0.0147544 0.0715832 -2.4419513 0.2429249 0.0239808 0.2153008 -1.7147955 11 O -2.3070959 -0.0124362 0.0147544 -0.0715832 -2.4419513 -0.2429249 0.0239808 -0.2153008 -1.7147955 12 O -2.3070959 0.0124362 0.0147544 0.0715832 -2.4419513 0.2429249 0.0239808 0.2153008 -1.7147955 13 O -2.0456193 0.2397096 0.1869505 0.1791031 -2.1151132 0.1732375 0.1119506 0.1492281 -2.4539210 14 O -2.0456193 -0.2397096 0.1869505 -0.1791031 -2.1151132 -0.1732375 0.1119506 -0.1492281 -2.4539210 15 O -2.3370843 0.0412373 -0.0628398 0.0995205 -2.5142754 -0.3338004 -0.0611912 -0.2990112 -1.6343678 16 O -2.0456193 0.2397096 0.1869505 0.1791031 -2.1151132 0.1732375 0.1119506 0.1492281 -2.4539210 17 O -2.1528314 0.0036238 -0.0217829 -0.0021471 -1.8490357 -0.1305323 0.0060748 -0.1602782 -2.0687617 18 O -2.1528314 -0.0036238 -0.0217829 0.0021471 -1.8490357 0.1305323 0.0060748 0.1602782 -2.0687617 19 O -2.1528314 0.0036238 -0.0217829 -0.0021471 -1.8490357 -0.1305323 0.0060748 -0.1602782 -2.0687617 20 O -2.1528314 -0.0036238 -0.0217829 0.0021471 -1.8490357 0.1305323 0.0060748 0.1602782 -2.0687617 21 O -2.0569453 -0.2892978 -0.2706314 -0.2323579 -2.1719336 -0.0448132 -0.2037231 -0.0150837 -2.2831919 22 O -2.0569453 0.2892978 -0.2706314 0.2323579 -2.1719336 0.0448132 -0.2037231 0.0150837 -2.2831919 23 O -2.0569453 -0.2892978 -0.2706314 -0.2323579 -2.1719336 -0.0448132 -0.2037231 -0.0150837 -2.2831919 24 O -2.0569453 0.2892978 -0.2706314 0.2323579 -2.1719336 0.0448132 -0.2037231 0.0150837 -2.2831919 25 O -2.1542825 0.3527714 -0.2310435 0.2557055 -2.3382347 -0.0554438 -0.1545427 -0.0985220 -2.0600758 26 O -2.1542825 -0.3527714 -0.2310435 -0.2557055 -2.3382347 0.0554438 -0.1545427 0.0985220 -2.0600758 27 O -2.1542825 0.3527714 -0.2310435 0.2557055 -2.3382347 -0.0554438 -0.1545427 -0.0985220 -2.0600758 28 O -2.1542825 -0.3527714 -0.2310435 -0.2557055 -2.3382347 0.0554438 -0.1545427 0.0985220 -2.0600758 29 O -2.1848954 -0.2926630 0.1584017 -0.1746241 -2.2842635 -0.2353282 0.0973564 -0.2161711 -2.1924561 30 O -2.1848954 0.2926630 0.1584017 0.1746241 -2.2842635 0.2353282 0.0973564 0.2161711 -2.1924561 31 O -2.1848954 -0.2926630 0.1584017 -0.1746241 -2.2842635 -0.2353282 0.0973564 -0.2161711 -2.1924561 32 O -2.1848954 0.2926630 0.1584017 0.1746241 -2.2842635 0.2353282 0.0973564 0.2161711 -2.1924561 33 O -2.3370843 -0.0412373 -0.0628398 -0.0995205 -2.5142754 0.3338004 -0.0611912 0.2990112 -1.6343678 34 O -2.3370843 0.0412373 -0.0628398 0.0995205 -2.5142754 -0.3338004 -0.0611912 -0.2990112 -1.6343678 35 O -2.3370843 -0.0412373 -0.0628398 -0.0995205 -2.5142754 0.3338004 -0.0611912 0.2990112 -1.6343678 36 O -2.0456193 -0.2397096 0.1869505 -0.1791031 -2.1151132 -0.1732375 0.1119506 -0.1492281 -2.4539210 37 Al 2.1738811 0.1365923 0.0488933 0.2279648 2.6546819 0.2380328 0.0100751 0.3114401 2.8836863 38 Al 2.1738811 -0.1365923 0.0488933 -0.2279648 2.6546819 -0.2380328 0.0100751 -0.3114401 2.8836863 39 Al 2.1738811 0.1365923 0.0488933 0.2279648 2.6546819 0.2380328 0.0100751 0.3114401 2.8836863 40 Al 2.1738811 -0.1365923 0.0488933 -0.2279648 2.6546819 -0.2380328 0.0100751 -0.3114401 2.8836863 41 Al 2.1783220 -0.1409107 0.0084962 -0.2251533 2.6827727 0.2772208 0.0027162 0.2803455 2.8057624 42 Al 2.1783220 0.1409107 0.0084962 0.2251533 2.6827727 -0.2772208 0.0027162 -0.2803455 2.8057624 43 Al 2.1783220 -0.1409107 0.0084962 -0.2251533 2.6827727 0.2772208 0.0027162 0.2803455 2.8057624 44 Al 2.1783220 0.1409107 0.0084962 0.2251533 2.6827727 -0.2772208 0.0027162 -0.2803455 2.8057624 45 Y 4.0549390 -0.0890523 0.0104273 -0.0743992 3.7644930 0.3398054 0.0612358 0.3962777 3.2269742 46 Y 4.0549390 0.0890523 0.0104273 0.0743992 3.7644930 -0.3398054 0.0612358 -0.3962777 3.2269742 47 Y 4.0549390 -0.0890523 0.0104273 -0.0743992 3.7644930 0.3398054 0.0612358 0.3962777 3.2269742 48 Y 4.0549390 0.0890523 0.0104273 0.0743992 3.7644930 -0.3398054 0.0612358 -0.3962777 3.2269742 49 Y 3.7818253 0.0822131 0.0790837 0.0689769 3.7073626 0.2126443 0.0394779 0.2150480 3.5756094 50 Y 3.7818253 -0.0822131 0.0790837 -0.0689769 3.7073626 -0.2126443 0.0394779 -0.2150480 3.5756094 51 Y 3.7818253 0.0822131 0.0790837 0.0689769 3.7073626 0.2126443 0.0394779 0.2150480 3.5756094 52 Y 3.7818253 -0.0822131 0.0790837 -0.0689769 3.7073626 -0.2126443 0.0394779 -0.2150480 3.5756094 53 Y 4.2490808 0.0511247 -0.0273626 0.0462162 3.7408086 -0.4991710 0.0082935 -0.5955888 3.3330195 54 Y 4.2490808 -0.0511247 -0.0273626 -0.0462162 3.7408086 0.4991710 0.0082935 0.5955888 3.3330195 55 Y 4.2490808 0.0511247 -0.0273626 0.0462162 3.7408086 -0.4991710 0.0082935 -0.5955888 3.3330195 56 Y 4.2490808 -0.0511247 -0.0273626 -0.0462162 3.7408086 0.4991710 0.0082935 0.5955888 3.3330195 57 Y 3.7792949 -0.0171231 0.1025611 -0.0136093 3.7342772 -0.3981047 0.0864487 -0.4277822 3.6080617 58 Y 3.7792949 0.0171231 0.1025611 0.0136093 3.7342772 0.3981047 0.0864487 0.4277822 3.6080617 59 Y 3.7792949 -0.0171231 0.1025611 -0.0136093 3.7342772 -0.3981047 0.0864487 -0.4277822 3.6080617 60 Y 3.7792949 0.0171231 0.1025611 0.0136093 3.7342772 0.3981047 0.0864487 0.4277822 3.6080617 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 29, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:51:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:51:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.328052370000018 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): 1 O 0.56400357747569 0.49254844545495 0.89236765263444 15.999 2 O 0.43599642252431 0.99254844545495 0.60763234736556 15.999 3 O 0.43599642252431 0.50745155454505 0.10763234736556 15.999 4 O 0.56400357747569 0.00745155454505 0.39236765263444 15.999 5 O 0.07821157402205 0.50663292560203 0.89361120245657 15.999 6 O 0.92178842597795 0.00663292560203 0.60638879754343 15.999 7 O 0.92178842597795 0.49336707439797 0.10638879754343 15.999 8 O 0.07821157402205 0.99336707439797 0.39361120245657 15.999 9 O 0.69646878511182 0.48313327470656 0.66207545080195 15.999 10 O 0.30353121488818 0.98313327470656 0.83792454919805 15.999 11 O 0.30353121488818 0.51686672529344 0.33792454919804 15.999 12 O 0.69646878511182 0.01686672529344 0.16207545080196 15.999 13 O 0.63659892621531 0.26849924718700 0.46011361209527 15.999 14 O 0.36340107378469 0.76849924718700 0.03988638790473 15.999 15 O 0.21201319794109 0.48487999322955 0.65332788128832 15.999 16 O 0.36340107378469 0.73150075281300 0.53988638790473 15.999 17 O 0.43266405287576 0.25921838804738 0.61508423756102 15.999 18 O 0.56733594712424 0.75921838804738 0.88491576243898 15.999 19 O 0.56733594712424 0.74078161195262 0.38491576243898 15.999 20 O 0.43266405287576 0.24078161195262 0.11508423756102 15.999 21 O 0.07155582168368 0.26534153192012 0.47913901576143 15.999 22 O 0.92844417831632 0.76534153192012 0.02086098423857 15.999 23 O 0.92844417831632 0.73465846807988 0.52086098423857 15.999 24 O 0.07155582168368 0.23465846807988 0.97913901576143 15.999 25 O 0.78971312855620 0.23717241978523 0.74744280140114 15.999 26 O 0.21028687144380 0.73717241978523 0.75255719859886 15.999 27 O 0.21028687144380 0.76282758021477 0.25255719859886 15.999 28 O 0.78971312855620 0.26282758021477 0.24744280140114 15.999 29 O 0.23107586360447 0.23912695432872 0.76935948059978 15.999 30 O 0.76892413639553 0.73912695432872 0.73064051940022 15.999 31 O 0.76892413639553 0.76087304567128 0.23064051940022 15.999 32 O 0.23107586360447 0.26087304567128 0.26935948059978 15.999 33 O 0.21201319794109 0.01512000677045 0.15332788128832 15.999 34 O 0.78798680205891 0.51512000677045 0.34667211871168 15.999 35 O 0.78798680205891 0.98487999322955 0.84667211871168 15.999 36 O 0.63659892621531 0.23150075281300 0.96011361209527 15.999 37 Al 0.65450941282292 0.32309260455142 0.61278264690006 26.982 38 Al 0.34549058717708 0.82309260455142 0.88721735309994 26.982 39 Al 0.34549058717708 0.67690739544858 0.38721735309994 26.982 40 Al 0.65450941282292 0.17690739544858 0.11278264690006 26.982 41 Al 0.21540046232702 0.32087563819635 0.62706133126463 26.982 42 Al 0.78459953767298 0.82087563819635 0.87293866873537 26.982 43 Al 0.78459953767298 0.67912436180365 0.37293866873537 26.982 44 Al 0.21540046232702 0.17912436180366 0.12706133126463 26.982 45 Y 0.83722998331998 0.37982374907436 0.91437179175721 88.906 46 Y 0.16277001668002 0.87982374907436 0.58562820824279 88.906 47 Y 0.16277001668002 0.62017625092564 0.08562820824279 88.906 48 Y 0.83722998331998 0.12017625092564 0.41437179175721 88.906 49 Y 0.33951665224951 0.37329436891866 0.93796883589526 88.906 50 Y 0.66048334775049 0.87329436891866 0.56203116410474 88.906 51 Y 0.66048334775049 0.62670563108134 0.06203116410474 88.906 52 Y 0.33951665224951 0.12670563108134 0.43796883589526 88.906 53 Y 0.02257644621937 0.40362378315604 0.30552488594654 88.906 54 Y 0.97742355378063 0.90362378315604 0.19447511405346 88.906 55 Y 0.97742355378063 0.59637621684396 0.69447511405346 88.906 56 Y 0.02257644621937 0.09637621684396 0.80552488594654 88.906 57 Y 0.52316206885826 0.38895794669903 0.28393010728662 88.906 58 Y 0.47683793114174 0.88895794669903 0.21606989271338 88.906 59 Y 0.47683793114174 0.61104205330097 0.71606989271338 88.906 60 Y 0.52316206885826 0.11104205330097 0.78393010728662 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.656104740000035 0.000000000000000 0.000000000000000 b 0.000000000000000 10.430410280000000 0.000000000000000 c -3.507564453321191 0.000000000000000 10.536894165889070 Atomic positions (fractional): 1 O 0.28200178873785 0.49254844545495 0.89236765263444 15.999 > 1 2 O 0.78200178873785 0.49254844545495 0.89236765263444 15.999 > 1 3 O 0.21799821126215 0.99254844545495 0.60763234736556 15.999 > 3 4 O 0.71799821126215 0.99254844545495 0.60763234736556 15.999 > 3 5 O 0.21799821126215 0.50745155454505 0.10763234736556 15.999 > 5 6 O 0.71799821126215 0.50745155454505 0.10763234736556 15.999 > 5 7 O 0.28200178873785 0.00745155454505 0.39236765263444 15.999 > 7 8 O 0.78200178873785 0.00745155454505 0.39236765263444 15.999 > 7 9 O 0.03910578701102 0.50663292560203 0.89361120245657 15.999 > 9 10 O 0.53910578701102 0.50663292560203 0.89361120245657 15.999 > 9 11 O 0.46089421298898 0.00663292560203 0.60638879754343 15.999 > 11 12 O 0.96089421298898 0.00663292560203 0.60638879754343 15.999 > 11 13 O 0.46089421298898 0.49336707439797 0.10638879754343 15.999 > 13 14 O 0.96089421298898 0.49336707439797 0.10638879754343 15.999 > 13 15 O 0.03910578701102 0.99336707439797 0.39361120245657 15.999 > 15 16 O 0.53910578701102 0.99336707439797 0.39361120245657 15.999 > 15 17 O 0.34823439255591 0.48313327470656 0.66207545080195 15.999 > 17 18 O 0.84823439255591 0.48313327470656 0.66207545080195 15.999 > 17 19 O 0.15176560744409 0.98313327470656 0.83792454919805 15.999 > 19 20 O 0.65176560744409 0.98313327470656 0.83792454919805 15.999 > 19 21 O 0.15176560744409 0.51686672529344 0.33792454919804 15.999 > 21 22 O 0.65176560744409 0.51686672529344 0.33792454919804 15.999 > 21 23 O 0.34823439255591 0.01686672529344 0.16207545080196 15.999 > 23 24 O 0.84823439255591 0.01686672529344 0.16207545080196 15.999 > 23 25 O 0.31829946310766 0.26849924718700 0.46011361209527 15.999 > 25 26 O 0.81829946310766 0.26849924718700 0.46011361209527 15.999 > 25 27 O 0.18170053689234 0.76849924718700 0.03988638790473 15.999 > 27 28 O 0.68170053689234 0.76849924718700 0.03988638790473 15.999 > 27 29 O 0.10600659897055 0.48487999322955 0.65332788128832 15.999 > 29 30 O 0.60600659897055 0.48487999322955 0.65332788128832 15.999 > 29 31 O 0.18170053689234 0.73150075281300 0.53988638790473 15.999 > 31 32 O 0.68170053689234 0.73150075281300 0.53988638790473 15.999 > 31 33 O 0.21633202643788 0.25921838804738 0.61508423756102 15.999 > 33 34 O 0.71633202643788 0.25921838804738 0.61508423756102 15.999 > 33 35 O 0.28366797356212 0.75921838804738 0.88491576243898 15.999 > 35 36 O 0.78366797356212 0.75921838804738 0.88491576243898 15.999 > 35 37 O 0.28366797356212 0.74078161195262 0.38491576243898 15.999 > 37 38 O 0.78366797356212 0.74078161195262 0.38491576243898 15.999 > 37 39 O 0.21633202643788 0.24078161195262 0.11508423756102 15.999 > 39 40 O 0.71633202643788 0.24078161195262 0.11508423756102 15.999 > 39 41 O 0.03577791084184 0.26534153192012 0.47913901576143 15.999 > 41 42 O 0.53577791084184 0.26534153192012 0.47913901576143 15.999 > 41 43 O 0.46422208915816 0.76534153192012 0.02086098423857 15.999 > 43 44 O 0.96422208915816 0.76534153192012 0.02086098423857 15.999 > 43 45 O 0.46422208915816 0.73465846807988 0.52086098423857 15.999 > 45 46 O 0.96422208915816 0.73465846807988 0.52086098423857 15.999 > 45 47 O 0.03577791084184 0.23465846807988 0.97913901576143 15.999 > 47 48 O 0.53577791084184 0.23465846807988 0.97913901576143 15.999 > 47 49 O 0.39485656427810 0.23717241978523 0.74744280140114 15.999 > 49 50 O 0.89485656427810 0.23717241978523 0.74744280140114 15.999 > 49 51 O 0.10514343572190 0.73717241978523 0.75255719859886 15.999 > 51 52 O 0.60514343572190 0.73717241978523 0.75255719859886 15.999 > 51 53 O 0.10514343572190 0.76282758021477 0.25255719859886 15.999 > 53 54 O 0.60514343572190 0.76282758021477 0.25255719859886 15.999 > 53 55 O 0.39485656427810 0.26282758021477 0.24744280140114 15.999 > 55 56 O 0.89485656427810 0.26282758021477 0.24744280140114 15.999 > 55 57 O 0.11553793180224 0.23912695432872 0.76935948059978 15.999 > 57 58 O 0.61553793180224 0.23912695432872 0.76935948059978 15.999 > 57 59 O 0.38446206819776 0.73912695432872 0.73064051940022 15.999 > 59 60 O 0.88446206819776 0.73912695432872 0.73064051940022 15.999 > 59 61 O 0.38446206819776 0.76087304567128 0.23064051940022 15.999 > 61 62 O 0.88446206819776 0.76087304567128 0.23064051940022 15.999 > 61 63 O 0.11553793180224 0.26087304567128 0.26935948059978 15.999 > 63 64 O 0.61553793180224 0.26087304567128 0.26935948059978 15.999 > 63 65 O 0.10600659897055 0.01512000677045 0.15332788128832 15.999 > 65 66 O 0.60600659897055 0.01512000677045 0.15332788128832 15.999 > 65 67 O 0.39399340102945 0.51512000677045 0.34667211871168 15.999 > 67 68 O 0.89399340102945 0.51512000677045 0.34667211871168 15.999 > 67 69 O 0.39399340102945 0.98487999322955 0.84667211871168 15.999 > 69 70 O 0.89399340102945 0.98487999322955 0.84667211871168 15.999 > 69 71 O 0.31829946310766 0.23150075281300 0.96011361209527 15.999 > 71 72 O 0.81829946310766 0.23150075281300 0.96011361209527 15.999 > 71 73 Al 0.32725470641146 0.32309260455142 0.61278264690006 26.982 > 73 74 Al 0.82725470641146 0.32309260455142 0.61278264690006 26.982 > 73 75 Al 0.17274529358854 0.82309260455142 0.88721735309994 26.982 > 75 76 Al 0.67274529358854 0.82309260455142 0.88721735309994 26.982 > 75 77 Al 0.17274529358854 0.67690739544858 0.38721735309994 26.982 > 77 78 Al 0.67274529358854 0.67690739544858 0.38721735309994 26.982 > 77 79 Al 0.32725470641146 0.17690739544858 0.11278264690006 26.982 > 79 80 Al 0.82725470641146 0.17690739544858 0.11278264690006 26.982 > 79 81 Al 0.10770023116351 0.32087563819635 0.62706133126463 26.982 > 81 82 Al 0.60770023116351 0.32087563819635 0.62706133126463 26.982 > 81 83 Al 0.39229976883649 0.82087563819635 0.87293866873537 26.982 > 83 84 Al 0.89229976883649 0.82087563819635 0.87293866873537 26.982 > 83 85 Al 0.39229976883649 0.67912436180365 0.37293866873537 26.982 > 85 86 Al 0.89229976883649 0.67912436180365 0.37293866873537 26.982 > 85 87 Al 0.10770023116351 0.17912436180366 0.12706133126463 26.982 > 87 88 Al 0.60770023116351 0.17912436180366 0.12706133126463 26.982 > 87 89 Y 0.41861499165999 0.37982374907436 0.91437179175721 88.906 > 89 90 Y 0.91861499165999 0.37982374907436 0.91437179175721 88.906 > 89 91 Y 0.08138500834001 0.87982374907436 0.58562820824279 88.906 > 91 92 Y 0.58138500834001 0.87982374907436 0.58562820824279 88.906 > 91 93 Y 0.08138500834001 0.62017625092564 0.08562820824279 88.906 > 93 94 Y 0.58138500834001 0.62017625092564 0.08562820824279 88.906 > 93 95 Y 0.41861499165999 0.12017625092564 0.41437179175721 88.906 > 95 96 Y 0.91861499165999 0.12017625092564 0.41437179175721 88.906 > 95 97 Y 0.16975832612475 0.37329436891866 0.93796883589526 88.906 > 97 98 Y 0.66975832612475 0.37329436891866 0.93796883589526 88.906 > 97 99 Y 0.33024167387525 0.87329436891866 0.56203116410474 88.906 > 99 100 Y 0.83024167387525 0.87329436891866 0.56203116410474 88.906 > 99 101 Y 0.33024167387525 0.62670563108134 0.06203116410474 88.906 > 101 102 Y 0.83024167387525 0.62670563108134 0.06203116410474 88.906 > 101 103 Y 0.16975832612475 0.12670563108134 0.43796883589526 88.906 > 103 104 Y 0.66975832612475 0.12670563108134 0.43796883589526 88.906 > 103 105 Y 0.01128822310969 0.40362378315604 0.30552488594654 88.906 > 105 106 Y 0.51128822310969 0.40362378315604 0.30552488594654 88.906 > 105 107 Y 0.48871177689031 0.90362378315604 0.19447511405346 88.906 > 107 108 Y 0.98871177689031 0.90362378315604 0.19447511405346 88.906 > 107 109 Y 0.48871177689031 0.59637621684396 0.69447511405346 88.906 > 109 110 Y 0.98871177689031 0.59637621684396 0.69447511405346 88.906 > 109 111 Y 0.01128822310969 0.09637621684396 0.80552488594654 88.906 > 111 112 Y 0.51128822310969 0.09637621684396 0.80552488594654 88.906 > 111 113 Y 0.26158103442913 0.38895794669903 0.28393010728662 88.906 > 113 114 Y 0.76158103442913 0.38895794669903 0.28393010728662 88.906 > 113 115 Y 0.23841896557087 0.88895794669903 0.21606989271338 88.906 > 115 116 Y 0.73841896557087 0.88895794669903 0.21606989271338 88.906 > 115 117 Y 0.23841896557087 0.61104205330097 0.71606989271338 88.906 > 117 118 Y 0.73841896557087 0.61104205330097 0.71606989271338 88.906 > 117 119 Y 0.26158103442913 0.11104205330097 0.78393010728662 88.906 > 119 120 Y 0.76158103442913 0.11104205330097 0.78393010728662 88.906 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7701881 0.0000000 0.0236879 0.0000000 3.7320878 0.0000000 0.0236896 0.0000000 3.6514695 -------------------------- Born effective charges -------------------------- 1 O -2.5389702 -0.0675183 0.0435431 -0.0346025 -2.3575525 0.1825713 0.0540588 0.1358028 -2.4711349 2 O -2.5389702 0.0675183 0.0435431 0.0346025 -2.3575525 -0.1825713 0.0540588 -0.1358028 -2.4711349 3 O -2.5389702 -0.0675183 0.0435431 -0.0346025 -2.3575525 0.1825713 0.0540588 0.1358028 -2.4711349 4 O -2.5389702 0.0675183 0.0435431 0.0346025 -2.3575525 -0.1825713 0.0540588 -0.1358028 -2.4711349 5 O -2.4396187 0.0274700 -0.0394510 -0.0041412 -2.2120361 0.1985166 -0.0822117 0.1085147 -2.5544089 6 O -2.4396187 -0.0274700 -0.0394510 0.0041412 -2.2120361 -0.1985166 -0.0822117 -0.1085147 -2.5544089 7 O -2.4396187 0.0274700 -0.0394510 -0.0041412 -2.2120361 0.1985166 -0.0822117 0.1085147 -2.5544089 8 O -2.4396187 -0.0274700 -0.0394510 0.0041412 -2.2120361 -0.1985166 -0.0822117 -0.1085147 -2.5544089 9 O -2.3070959 -0.0124362 0.0147544 -0.0715832 -2.4419513 -0.2429249 0.0239808 -0.2153008 -1.7147955 10 O -2.3070959 0.0124362 0.0147544 0.0715832 -2.4419513 0.2429249 0.0239808 0.2153008 -1.7147955 11 O -2.3070959 -0.0124362 0.0147544 -0.0715832 -2.4419513 -0.2429249 0.0239808 -0.2153008 -1.7147955 12 O -2.3070959 0.0124362 0.0147544 0.0715832 -2.4419513 0.2429249 0.0239808 0.2153008 -1.7147955 13 O -2.0456193 0.2397096 0.1869505 0.1791031 -2.1151132 0.1732375 0.1119506 0.1492281 -2.4539210 14 O -2.0456193 -0.2397096 0.1869505 -0.1791031 -2.1151132 -0.1732375 0.1119506 -0.1492281 -2.4539210 15 O -2.3370843 0.0412373 -0.0628398 0.0995205 -2.5142754 -0.3338004 -0.0611912 -0.2990112 -1.6343678 16 O -2.0456193 0.2397096 0.1869505 0.1791031 -2.1151132 0.1732375 0.1119506 0.1492281 -2.4539210 17 O -2.1528314 0.0036238 -0.0217829 -0.0021471 -1.8490357 -0.1305323 0.0060748 -0.1602782 -2.0687617 18 O -2.1528314 -0.0036238 -0.0217829 0.0021471 -1.8490357 0.1305323 0.0060748 0.1602782 -2.0687617 19 O -2.1528314 0.0036238 -0.0217829 -0.0021471 -1.8490357 -0.1305323 0.0060748 -0.1602782 -2.0687617 20 O -2.1528314 -0.0036238 -0.0217829 0.0021471 -1.8490357 0.1305323 0.0060748 0.1602782 -2.0687617 21 O -2.0569453 -0.2892978 -0.2706314 -0.2323579 -2.1719336 -0.0448132 -0.2037231 -0.0150837 -2.2831919 22 O -2.0569453 0.2892978 -0.2706314 0.2323579 -2.1719336 0.0448132 -0.2037231 0.0150837 -2.2831919 23 O -2.0569453 -0.2892978 -0.2706314 -0.2323579 -2.1719336 -0.0448132 -0.2037231 -0.0150837 -2.2831919 24 O -2.0569453 0.2892978 -0.2706314 0.2323579 -2.1719336 0.0448132 -0.2037231 0.0150837 -2.2831919 25 O -2.1542825 0.3527714 -0.2310435 0.2557055 -2.3382347 -0.0554438 -0.1545427 -0.0985220 -2.0600758 26 O -2.1542825 -0.3527714 -0.2310435 -0.2557055 -2.3382347 0.0554438 -0.1545427 0.0985220 -2.0600758 27 O -2.1542825 0.3527714 -0.2310435 0.2557055 -2.3382347 -0.0554438 -0.1545427 -0.0985220 -2.0600758 28 O -2.1542825 -0.3527714 -0.2310435 -0.2557055 -2.3382347 0.0554438 -0.1545427 0.0985220 -2.0600758 29 O -2.1848954 -0.2926630 0.1584017 -0.1746241 -2.2842635 -0.2353282 0.0973564 -0.2161711 -2.1924561 30 O -2.1848954 0.2926630 0.1584017 0.1746241 -2.2842635 0.2353282 0.0973564 0.2161711 -2.1924561 31 O -2.1848954 -0.2926630 0.1584017 -0.1746241 -2.2842635 -0.2353282 0.0973564 -0.2161711 -2.1924561 32 O -2.1848954 0.2926630 0.1584017 0.1746241 -2.2842635 0.2353282 0.0973564 0.2161711 -2.1924561 33 O -2.3370843 -0.0412373 -0.0628398 -0.0995205 -2.5142754 0.3338004 -0.0611912 0.2990112 -1.6343678 34 O -2.3370843 0.0412373 -0.0628398 0.0995205 -2.5142754 -0.3338004 -0.0611912 -0.2990112 -1.6343678 35 O -2.3370843 -0.0412373 -0.0628398 -0.0995205 -2.5142754 0.3338004 -0.0611912 0.2990112 -1.6343678 36 O -2.0456193 -0.2397096 0.1869505 -0.1791031 -2.1151132 -0.1732375 0.1119506 -0.1492281 -2.4539210 37 Al 2.1738811 0.1365923 0.0488933 0.2279648 2.6546819 0.2380328 0.0100751 0.3114401 2.8836863 38 Al 2.1738811 -0.1365923 0.0488933 -0.2279648 2.6546819 -0.2380328 0.0100751 -0.3114401 2.8836863 39 Al 2.1738811 0.1365923 0.0488933 0.2279648 2.6546819 0.2380328 0.0100751 0.3114401 2.8836863 40 Al 2.1738811 -0.1365923 0.0488933 -0.2279648 2.6546819 -0.2380328 0.0100751 -0.3114401 2.8836863 41 Al 2.1783220 -0.1409107 0.0084962 -0.2251533 2.6827727 0.2772208 0.0027162 0.2803455 2.8057624 42 Al 2.1783220 0.1409107 0.0084962 0.2251533 2.6827727 -0.2772208 0.0027162 -0.2803455 2.8057624 43 Al 2.1783220 -0.1409107 0.0084962 -0.2251533 2.6827727 0.2772208 0.0027162 0.2803455 2.8057624 44 Al 2.1783220 0.1409107 0.0084962 0.2251533 2.6827727 -0.2772208 0.0027162 -0.2803455 2.8057624 45 Y 4.0549390 -0.0890523 0.0104273 -0.0743992 3.7644930 0.3398054 0.0612358 0.3962777 3.2269742 46 Y 4.0549390 0.0890523 0.0104273 0.0743992 3.7644930 -0.3398054 0.0612358 -0.3962777 3.2269742 47 Y 4.0549390 -0.0890523 0.0104273 -0.0743992 3.7644930 0.3398054 0.0612358 0.3962777 3.2269742 48 Y 4.0549390 0.0890523 0.0104273 0.0743992 3.7644930 -0.3398054 0.0612358 -0.3962777 3.2269742 49 Y 3.7818253 0.0822131 0.0790837 0.0689769 3.7073626 0.2126443 0.0394779 0.2150480 3.5756094 50 Y 3.7818253 -0.0822131 0.0790837 -0.0689769 3.7073626 -0.2126443 0.0394779 -0.2150480 3.5756094 51 Y 3.7818253 0.0822131 0.0790837 0.0689769 3.7073626 0.2126443 0.0394779 0.2150480 3.5756094 52 Y 3.7818253 -0.0822131 0.0790837 -0.0689769 3.7073626 -0.2126443 0.0394779 -0.2150480 3.5756094 53 Y 4.2490808 0.0511247 -0.0273626 0.0462162 3.7408086 -0.4991710 0.0082935 -0.5955888 3.3330195 54 Y 4.2490808 -0.0511247 -0.0273626 -0.0462162 3.7408086 0.4991710 0.0082935 0.5955888 3.3330195 55 Y 4.2490808 0.0511247 -0.0273626 0.0462162 3.7408086 -0.4991710 0.0082935 -0.5955888 3.3330195 56 Y 4.2490808 -0.0511247 -0.0273626 -0.0462162 3.7408086 0.4991710 0.0082935 0.5955888 3.3330195 57 Y 3.7792949 -0.0171231 0.1025611 -0.0136093 3.7342772 -0.3981047 0.0864487 -0.4277822 3.6080617 58 Y 3.7792949 0.0171231 0.1025611 0.0136093 3.7342772 0.3981047 0.0864487 0.4277822 3.6080617 59 Y 3.7792949 -0.0171231 0.1025611 -0.0136093 3.7342772 -0.3981047 0.0864487 -0.4277822 3.6080617 60 Y 3.7792949 0.0171231 0.1025611 0.0136093 3.7342772 0.3981047 0.0864487 0.4277822 3.6080617 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 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 2.132 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.339 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.178 ( 0.000 0.000 0.000) 0.000 10.186 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.783 ( 0.000 0.000 0.000) 0.000 10.792 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.199 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 12.360 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 12.923 ( 0.000 0.000 0.000) 0.000 13.010 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.228 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 13.457 ( 0.000 0.000 0.000) 0.000 13.993 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.226 ( 0.000 0.000 0.000) 0.000 14.365 ( 0.000 0.000 0.000) 0.000 14.558 ( 0.000 0.000 0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 14.865 ( 0.000 0.000 0.000) 0.000 15.116 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.597 ( 0.000 0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 15.865 ( 0.000 0.000 0.000) 0.000 16.128 ( 0.000 0.000 0.000) 0.000 16.257 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 17.351 ( 0.000 0.000 0.000) 0.000 17.600 ( 0.000 0.000 0.000) 0.000 17.707 ( 0.000 0.000 0.000) 0.000 17.817 ( 0.000 0.000 0.000) 0.000 20.733 ( 0.000 0.000 0.000) 0.000 20.755 ( 0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 21.131 ( 0.000 0.000 0.000) 0.000 21.661 ( 0.000 0.000 0.000) 0.000 21.971 ( 0.000 0.000 0.000) 0.000 22.019 ( 0.000 0.000 0.000) 0.000 22.205 ( 0.000 0.000 0.000) 0.000 22.354 ( 0.000 0.000 0.000) 0.000 22.464 ( 0.000 0.000 0.000) 0.000 22.759 ( 0.000 0.000 0.000) 0.000 22.825 ( 0.000 0.000 0.000) 0.000 23.159 ( 0.000 0.000 0.000) 0.000 23.245 ( 0.000 0.000 0.000) 0.000 23.257 ( 0.000 0.000 0.000) 0.000 23.634 ( 0.000 0.000 0.000) 0.000 23.699 ( 0.000 0.000 0.000) 0.000 24.114 ( 0.000 0.000 0.000) 0.000 24.147 ( 0.000 0.000 0.000) 0.000 24.214 ( 0.000 0.000 0.000) 0.000 24.514 ( 0.000 0.000 0.000) 0.000 25.194 ( 0.000 0.000 0.000) 0.000 25.409 ( 0.000 0.000 0.000) 0.000 25.953 ( 0.000 0.000 0.000) 0.000 26.443 ( 0.000 0.000 0.000) 0.000 26.480 ( 0.000 0.000 0.000) 0.000 26.495 ( 0.000 0.000 0.000) 0.000 26.511 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 37.705 0.000 -1.466) 37.733 0.795 ( 35.565 0.000 14.773) 38.511 1.462 ( 63.266 0.000 23.959) 67.651 1.991 ( -8.600 0.000 -10.220) 13.357 2.422 ( 1.206 0.000 -3.802) 3.989 2.524 ( 1.019 0.000 2.433) 2.637 2.613 ( 3.216 0.000 7.851) 8.484 2.635 ( -3.547 0.000 -5.149) 6.253 2.714 ( 5.597 0.000 5.103) 7.574 2.894 ( 2.688 0.000 1.916) 3.301 2.993 ( -4.755 0.000 -2.521) 5.383 3.003 ( 3.326 0.000 -3.086) 4.537 3.333 ( 4.097 0.000 -8.009) 8.996 3.360 ( 9.102 0.000 1.833) 9.285 3.423 ( 5.582 0.000 -1.063) 5.682 3.431 ( 4.608 0.000 -6.467) 7.941 3.501 ( 9.029 0.000 3.348) 9.630 3.677 ( 0.692 0.000 3.869) 3.931 3.757 ( -0.491 0.000 0.523) 0.717 3.839 ( -5.301 0.000 -0.539) 5.328 3.858 ( -0.649 0.000 0.433) 0.780 3.926 ( 0.418 0.000 2.018) 2.061 3.947 ( 1.771 0.000 -2.396) 2.980 4.120 ( 2.620 0.000 -0.712) 2.715 4.216 ( 3.598 0.000 -1.224) 3.800 4.224 ( -4.096 0.000 -7.037) 8.143 4.304 ( -0.754 0.000 6.142) 6.188 4.370 ( -2.321 0.000 0.373) 2.351 4.470 ( -1.322 0.000 -3.619) 3.853 4.549 ( -4.787 0.000 2.445) 5.375 4.573 ( -8.215 0.000 -5.036) 9.636 4.585 ( 0.355 0.000 5.425) 5.437 4.688 ( 2.746 0.000 -3.889) 4.761 4.717 ( -8.596 0.000 5.729) 10.330 4.766 ( 6.879 0.000 -2.844) 7.444 5.003 ( 7.598 0.000 12.615) 14.727 5.043 ( -3.574 0.000 -3.463) 4.977 5.151 ( -0.646 0.000 -3.709) 3.765 5.236 ( 11.048 0.000 -2.739) 11.383 5.337 ( -1.503 0.000 -4.215) 4.474 5.379 ( 6.916 0.000 -3.478) 7.742 5.420 ( 6.521 0.000 2.678) 7.049 5.488 ( 5.396 0.000 -5.717) 7.862 5.660 ( 12.757 0.000 -3.837) 13.322 5.699 ( 0.600 0.000 -1.738) 1.838 5.832 ( 1.229 0.000 -4.228) 4.403 5.971 ( 2.030 0.000 -1.264) 2.391 5.973 ( -9.688 0.000 11.492) 15.031 6.097 ( -4.404 0.000 0.742) 4.467 6.162 ( 0.121 0.000 -4.212) 4.214 6.232 ( -9.696 0.000 1.087) 9.757 6.606 ( 4.856 0.000 0.350) 4.869 6.616 ( -18.331 0.000 1.204) 18.370 6.765 ( -4.621 0.000 0.866) 4.701 6.783 ( -8.763 0.000 0.937) 8.813 6.878 ( 1.053 0.000 -6.703) 6.786 6.914 ( -3.027 0.000 3.649) 4.741 7.085 ( 2.649 0.000 8.122) 8.543 7.092 ( -13.090 0.000 -8.978) 15.873 7.246 ( -8.087 0.000 0.161) 8.089 7.308 ( -1.878 0.000 6.623) 6.884 7.364 ( -8.998 0.000 -3.824) 9.777 7.454 ( 2.712 0.000 1.355) 3.031 7.461 ( 3.997 0.000 -1.805) 4.386 7.593 ( -2.939 0.000 13.101) 13.427 7.782 ( -0.921 0.000 -10.495) 10.536 7.865 ( -11.296 0.000 0.810) 11.325 7.910 ( -4.785 0.000 4.746) 6.740 8.008 ( 14.241 0.000 6.896) 15.822 8.031 ( -5.174 0.000 -2.165) 5.609 8.197 ( 5.796 0.000 -11.127) 12.546 8.224 ( 5.534 0.000 6.656) 8.656 8.396 ( 1.176 0.000 4.549) 4.698 8.402 ( 3.331 0.000 -5.499) 6.429 8.499 ( 11.391 0.000 -7.264) 13.510 8.601 ( 5.469 0.000 3.223) 6.348 8.895 ( -0.985 0.000 -1.033) 1.427 9.019 ( -1.844 0.000 -2.037) 2.748 9.032 ( 0.808 0.000 3.405) 3.499 9.096 ( -3.760 0.000 -4.679) 6.003 9.198 ( -9.063 0.000 -0.856) 9.103 9.295 ( -2.753 0.000 -3.309) 4.304 9.316 ( -3.041 0.000 -0.075) 3.042 9.358 ( 7.001 0.000 4.459) 8.301 9.414 ( -0.249 0.000 6.768) 6.772 9.517 ( -0.785 0.000 -3.529) 3.615 9.660 ( -3.243 0.000 -2.374) 4.019 9.748 ( -3.565 0.000 5.518) 6.570 9.902 ( 3.543 0.000 -3.379) 4.896 9.962 ( 0.868 0.000 2.792) 2.924 10.099 ( -4.052 0.000 -4.178) 5.821 10.153 ( -0.663 0.000 -2.145) 2.245 10.192 ( 1.255 0.000 6.347) 6.470 10.218 ( 6.969 0.000 0.992) 7.039 10.251 ( -1.877 0.000 -1.150) 2.202 10.352 ( -9.772 0.000 -2.187) 10.014 10.474 ( 1.662 0.000 0.782) 1.837 10.487 ( -7.998 0.000 1.903) 8.222 10.590 ( -1.316 0.000 -0.307) 1.352 10.689 ( -2.465 0.000 8.124) 8.490 10.729 ( -2.543 0.000 5.225) 5.811 10.757 ( 2.950 0.000 -2.476) 3.851 10.881 ( -0.087 0.000 -4.171) 4.172 11.054 ( -7.223 0.000 -5.181) 8.889 11.183 ( -4.502 0.000 -4.414) 6.305 11.194 ( 0.251 0.000 -6.377) 6.382 11.331 ( 0.269 0.000 3.431) 3.441 11.416 ( -1.848 0.000 -4.415) 4.786 11.477 ( 0.356 0.000 -6.290) 6.301 11.496 ( 5.073 0.000 4.838) 7.010 11.600 ( -6.919 0.000 4.636) 8.329 11.898 ( 2.713 0.000 -1.963) 3.349 11.934 ( -1.307 0.000 4.331) 4.524 11.958 ( 3.266 0.000 -0.674) 3.335 12.030 ( 16.316 0.000 2.501) 16.507 12.114 ( 3.009 0.000 5.024) 5.856 12.218 ( 3.698 0.000 -3.505) 5.095 12.369 ( 1.326 0.000 -1.082) 1.712 12.412 ( 7.087 0.000 -1.971) 7.355 12.428 ( -3.599 0.000 3.528) 5.039 12.495 ( 9.553 0.000 2.437) 9.859 12.616 ( 6.687 0.000 2.194) 7.038 12.658 ( 13.922 0.000 4.893) 14.757 12.926 ( -6.024 0.000 -4.981) 7.817 12.938 ( 2.407 0.000 0.084) 2.409 13.114 ( -4.326 0.000 -1.739) 4.663 13.244 ( 1.725 0.000 -0.879) 1.936 13.257 ( 4.746 0.000 -6.875) 8.354 13.328 ( -1.016 0.000 -4.562) 4.674 13.592 ( 10.348 0.000 -8.378) 13.314 13.980 ( -1.998 0.000 4.132) 4.590 14.067 ( -5.685 0.000 11.898) 13.187 14.168 ( 3.103 0.000 -5.785) 6.565 14.250 ( -7.906 0.000 6.049) 9.955 14.351 ( 8.916 0.000 -1.345) 9.017 14.554 ( -0.165 0.000 -0.708) 0.727 14.734 ( -0.956 0.000 -3.092) 3.236 14.779 ( 11.998 0.000 1.713) 12.120 14.889 ( -1.437 0.000 10.643) 10.739 15.063 ( 0.332 0.000 -11.229) 11.233 15.474 ( -4.037 0.000 -1.919) 4.470 15.509 ( 20.472 0.000 -72.095) 74.945 15.580 ( -2.050 0.000 0.551) 2.123 15.654 ( -7.513 0.000 -0.735) 7.549 16.033 ( -16.464 0.000 37.815) 41.243 16.165 ( -1.027 0.000 9.623) 9.678 16.281 ( 2.190 0.000 0.296) 2.209 16.648 ( 0.155 0.000 2.431) 2.436 17.309 ( -5.169 0.000 0.610) 5.204 17.565 ( -3.546 0.000 0.405) 3.569 17.653 ( -4.681 0.000 -1.851) 5.034 17.750 ( -6.542 0.000 0.445) 6.557 20.765 ( 1.219 0.000 -0.699) 1.405 20.767 ( 2.703 0.000 1.600) 3.141 21.138 ( 1.565 0.000 -3.234) 3.593 21.533 ( 13.965 0.000 -43.981) 46.145 21.663 ( 1.441 0.000 -7.321) 7.462 22.003 ( 3.359 0.000 -2.489) 4.181 22.004 ( -1.164 0.000 0.049) 1.165 22.226 ( 2.519 0.000 -1.126) 2.760 22.377 ( 2.783 0.000 -2.065) 3.466 22.492 ( 2.561 0.000 0.124) 2.564 22.784 ( -4.565 0.000 2.353) 5.136 22.843 ( 1.084 0.000 -1.354) 1.734 23.195 ( 2.831 0.000 2.356) 3.683 23.281 ( 3.158 0.000 1.546) 3.517 23.658 ( 2.533 0.000 -0.340) 2.556 23.778 ( 6.087 0.000 4.805) 7.755 23.866 ( -22.607 0.000 66.499) 70.237 24.071 ( -2.612 0.000 -1.411) 2.969 24.174 ( -2.675 0.000 3.835) 4.676 24.244 ( 3.306 0.000 1.788) 3.759 24.448 ( -5.835 0.000 -2.196) 6.234 25.089 ( -8.991 0.000 -1.819) 9.173 25.350 ( -12.067 0.000 9.801) 15.545 25.861 ( -9.009 0.000 -1.156) 9.083 26.474 ( 2.885 0.000 0.294) 2.900 26.509 ( 3.225 0.000 -0.847) 3.334 26.573 ( 3.584 0.000 1.475) 3.876 26.857 ( 3.608 0.000 -8.407) 9.149 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 35.299 0.000 -2.630) 35.397 1.552 ( 29.973 0.000 9.271) 31.374 1.783 ( -0.823 0.000 -8.063) 8.105 2.359 ( 2.386 0.000 7.203) 7.588 2.474 ( -7.180 0.000 -7.917) 10.688 2.501 ( 3.496 0.000 -6.455) 7.341 2.602 ( 12.524 0.000 9.267) 15.580 2.754 ( -5.115 0.000 7.763) 9.296 2.867 ( -6.123 0.000 1.141) 6.228 2.931 ( 23.505 0.000 4.258) 23.888 3.081 ( 10.369 0.000 -0.292) 10.373 3.169 ( 3.999 0.000 -0.710) 4.061 3.224 ( 16.644 0.000 -4.192) 17.164 3.466 ( -4.920 0.000 2.304) 5.432 3.489 ( 3.201 0.000 -7.612) 8.258 3.564 ( 6.120 0.000 -3.618) 7.109 3.618 ( -8.504 0.000 -1.538) 8.641 3.691 ( -3.745 0.000 3.840) 5.364 3.716 ( -0.660 0.000 -0.485) 0.819 3.770 ( 4.118 0.000 -0.863) 4.207 3.889 ( -0.398 0.000 6.564) 6.576 3.926 ( 9.044 0.000 2.304) 9.333 3.971 ( 3.070 0.000 -3.536) 4.683 4.088 ( 2.547 0.000 -4.000) 4.742 4.186 ( -1.289 0.000 -1.836) 2.243 4.272 ( -4.255 0.000 -0.321) 4.267 4.305 ( 0.502 0.000 5.266) 5.290 4.313 ( -3.814 0.000 -1.787) 4.212 4.376 ( -4.454 0.000 4.939) 6.651 4.379 ( -10.880 0.000 -5.298) 12.101 4.541 ( -3.156 0.000 -0.421) 3.184 4.583 ( 1.006 0.000 -3.314) 3.464 4.710 ( 12.111 0.000 -3.068) 12.493 4.737 ( -1.477 0.000 2.179) 2.633 4.887 ( -1.999 0.000 2.757) 3.405 4.921 ( 10.712 0.000 -3.343) 11.222 5.231 ( 5.812 0.000 10.235) 11.770 5.245 ( 4.992 0.000 -2.325) 5.507 5.278 ( -0.038 0.000 -3.257) 3.257 5.394 ( 1.048 0.000 -0.093) 1.053 5.461 ( -0.611 0.000 6.298) 6.328 5.555 ( 10.088 0.000 -2.081) 10.300 5.607 ( 9.378 0.000 -12.119) 15.324 5.687 ( -0.672 0.000 -1.670) 1.800 5.774 ( 4.805 0.000 -7.728) 9.100 5.832 ( -2.735 0.000 7.811) 8.276 5.925 ( 8.120 0.000 -4.893) 9.480 6.021 ( 4.758 0.000 0.376) 4.772 6.090 ( -4.131 0.000 -1.279) 4.325 6.146 ( 1.361 0.000 2.888) 3.192 6.259 ( 8.975 0.000 10.631) 13.913 6.282 ( -14.305 0.000 -1.015) 14.341 6.614 ( -7.980 0.000 -0.520) 7.996 6.665 ( -1.997 0.000 -7.141) 7.415 6.716 ( 5.518 0.000 3.790) 6.694 6.733 ( -13.144 0.000 -6.718) 14.761 6.839 ( -9.228 0.000 8.049) 12.245 6.919 ( -13.281 0.000 -6.367) 14.729 6.957 ( -2.644 0.000 -11.289) 11.594 7.073 ( -10.331 0.000 -0.485) 10.343 7.113 ( -5.410 0.000 5.014) 7.376 7.292 ( -4.556 0.000 8.109) 9.301 7.356 ( -15.852 0.000 6.385) 17.089 7.557 ( 1.515 0.000 2.687) 3.085 7.558 ( -15.032 0.000 -3.539) 15.443 7.587 ( -4.511 0.000 10.597) 11.517 7.735 ( 0.179 0.000 0.110) 0.210 7.874 ( -0.606 0.000 -2.192) 2.275 8.048 ( 8.673 0.000 -5.535) 10.289 8.256 ( 5.657 0.000 0.585) 5.687 8.295 ( 9.214 0.000 -7.724) 12.023 8.415 ( 8.816 0.000 3.467) 9.473 8.449 ( 5.442 0.000 -7.012) 8.876 8.472 ( 5.744 0.000 1.553) 5.950 8.651 ( 4.774 0.000 -3.480) 5.908 8.730 ( 5.048 0.000 8.023) 9.479 8.844 ( -10.763 0.000 -8.508) 13.720 8.921 ( 2.432 0.000 2.045) 3.178 8.959 ( -4.984 0.000 -5.246) 7.236 9.069 ( -2.306 0.000 -1.754) 2.897 9.090 ( 2.654 0.000 2.392) 3.573 9.214 ( -2.713 0.000 -3.113) 4.129 9.257 ( -4.844 0.000 5.426) 7.274 9.399 ( -1.767 0.000 -2.729) 3.251 9.436 ( -5.578 0.000 -0.373) 5.590 9.516 ( 6.120 0.000 1.994) 6.437 9.656 ( 0.324 0.000 6.098) 6.106 9.723 ( -2.463 0.000 5.490) 6.017 9.948 ( -1.452 0.000 -2.280) 2.703 9.980 ( -2.537 0.000 -5.006) 5.612 9.990 ( -1.538 0.000 -1.202) 1.952 10.021 ( -14.482 0.000 0.020) 14.482 10.145 ( 1.685 0.000 6.836) 7.040 10.187 ( -2.973 0.000 0.551) 3.023 10.238 ( -0.664 0.000 -0.519) 0.842 10.306 ( -4.781 0.000 -1.540) 5.023 10.402 ( 4.653 0.000 -3.055) 5.567 10.539 ( 3.119 0.000 -2.605) 4.063 10.632 ( 1.689 0.000 4.018) 4.359 10.641 ( -5.712 0.000 4.960) 7.565 10.760 ( 0.420 0.000 5.070) 5.087 10.774 ( 3.174 0.000 -2.719) 4.180 10.863 ( -7.417 0.000 -6.073) 9.586 10.896 ( 3.533 0.000 -0.962) 3.661 11.082 ( -3.538 0.000 -0.232) 3.546 11.172 ( 1.058 0.000 -2.638) 2.842 11.353 ( 0.034 0.000 -7.172) 7.172 11.383 ( 1.427 0.000 4.793) 5.001 11.448 ( -1.122 0.000 -0.358) 1.178 11.528 ( -3.123 0.000 0.756) 3.213 11.654 ( 8.256 0.000 1.180) 8.340 11.793 ( -8.384 0.000 -2.044) 8.629 11.829 ( -5.468 0.000 -3.183) 6.327 12.121 ( 5.400 0.000 9.176) 10.647 12.199 ( 1.774 0.000 5.123) 5.422 12.274 ( 4.335 0.000 -4.764) 6.441 12.337 ( -2.377 0.000 -1.487) 2.803 12.456 ( 18.288 0.000 6.101) 19.279 12.461 ( 7.089 0.000 -1.640) 7.276 12.484 ( 3.713 0.000 -2.774) 4.635 12.713 ( 7.879 0.000 3.458) 8.604 12.761 ( 2.290 0.000 -3.697) 4.349 12.810 ( 1.674 0.000 2.412) 2.936 12.953 ( 10.797 0.000 2.808) 11.156 13.062 ( -1.528 0.000 -0.278) 1.553 13.081 ( 9.446 0.000 2.214) 9.702 13.193 ( -4.288 0.000 -8.263) 9.310 13.279 ( 2.912 0.000 -0.220) 2.920 13.340 ( 3.005 0.000 -5.121) 5.937 13.600 ( -1.730 0.000 -7.339) 7.540 14.003 ( -0.861 0.000 8.995) 9.036 14.128 ( 0.511 0.000 -2.599) 2.649 14.170 ( 5.140 0.000 14.719) 15.590 14.263 ( 3.481 0.000 2.532) 4.305 14.509 ( 7.787 0.000 -4.249) 8.871 14.539 ( -0.475 0.000 -2.497) 2.542 14.650 ( -5.351 0.000 -2.077) 5.740 14.930 ( -3.584 0.000 16.644) 17.026 14.984 ( 6.557 0.000 0.447) 6.572 15.033 ( 6.686 0.000 -15.789) 17.146 15.327 ( -8.945 0.000 -3.781) 9.712 15.415 ( 5.124 0.000 -32.346) 32.749 15.502 ( -6.012 0.000 1.284) 6.148 15.518 ( -4.296 0.000 -0.633) 4.343 15.950 ( -10.305 0.000 17.556) 20.357 16.200 ( 0.866 0.000 1.466) 1.703 16.332 ( 2.411 0.000 0.353) 2.437 16.667 ( 0.107 0.000 2.358) 2.360 17.204 ( -5.619 0.000 1.876) 5.924 17.483 ( -4.514 0.000 0.301) 4.524 17.523 ( -6.355 0.000 -2.341) 6.772 17.599 ( -8.262 0.000 0.432) 8.273 20.791 ( 1.792 0.000 -0.768) 1.949 20.842 ( 3.247 0.000 1.855) 3.739 21.143 ( 1.489 0.000 -4.498) 4.738 21.519 ( 4.461 0.000 -15.417) 16.050 21.646 ( 0.892 0.000 -4.587) 4.673 21.991 ( -0.248 0.000 0.629) 0.677 22.043 ( 2.144 0.000 -2.338) 3.172 22.280 ( 3.502 0.000 -1.585) 3.844 22.420 ( 3.004 0.000 -3.137) 4.343 22.542 ( 2.006 0.000 -0.426) 2.051 22.702 ( -5.104 0.000 3.875) 6.408 22.860 ( 0.577 0.000 1.587) 1.688 23.300 ( 5.894 0.000 3.815) 7.021 23.381 ( 5.719 0.000 1.553) 5.926 23.721 ( 4.279 0.000 -1.491) 4.531 23.847 ( -11.804 0.000 30.492) 32.697 23.961 ( 6.105 0.000 8.282) 10.289 24.016 ( -0.919 0.000 -4.065) 4.168 24.122 ( -3.241 0.000 -0.532) 3.285 24.287 ( -6.686 0.000 -3.884) 7.733 24.357 ( 8.677 0.000 -3.253) 9.267 24.880 ( -9.596 0.000 -2.241) 9.854 25.121 ( -16.567 0.000 7.874) 18.343 25.614 ( -13.998 0.000 -2.276) 14.182 26.543 ( 3.409 0.000 0.377) 3.430 26.587 ( 4.680 0.000 -1.476) 4.908 26.645 ( 2.327 0.000 1.974) 3.051 26.876 ( 2.003 0.000 -2.978) 3.589 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 1.669 0.000 -6.278) 6.496 2.003 ( 23.978 0.000 -6.933) 24.960 2.229 ( 8.826 0.000 6.014) 10.680 2.296 ( -11.094 0.000 6.022) 12.623 2.384 ( 14.250 0.000 2.086) 14.402 2.558 ( 8.846 0.000 3.934) 9.682 2.703 ( -6.801 0.000 -4.386) 8.093 2.726 ( 0.026 0.000 5.499) 5.499 2.794 ( -3.344 0.000 7.292) 8.022 2.977 ( -1.706 0.000 -14.840) 14.937 3.053 ( -20.283 0.000 -4.440) 20.764 3.164 ( 3.775 0.000 -1.141) 3.944 3.312 ( -3.941 0.000 -0.580) 3.984 3.349 ( 1.054 0.000 -2.082) 2.334 3.511 ( -1.718 0.000 -2.882) 3.355 3.594 ( 1.237 0.000 -0.376) 1.293 3.649 ( 3.543 0.000 -2.060) 4.098 3.667 ( 1.863 0.000 -1.340) 2.295 3.843 ( 1.536 0.000 -0.789) 1.727 3.884 ( -2.924 0.000 3.106) 4.266 3.992 ( 2.628 0.000 2.120) 3.377 4.007 ( 1.527 0.000 -0.877) 1.761 4.069 ( -6.699 0.000 -0.268) 6.704 4.131 ( -2.817 0.000 0.944) 2.971 4.189 ( 6.955 0.000 4.256) 8.154 4.237 ( -0.825 0.000 -0.564) 0.999 4.277 ( 1.172 0.000 1.466) 1.877 4.280 ( 18.505 0.000 1.059) 18.536 4.406 ( -7.196 0.000 -0.985) 7.263 4.454 ( 18.754 0.000 5.466) 19.534 4.485 ( 9.553 0.000 2.916) 9.988 4.555 ( -0.683 0.000 6.771) 6.805 4.704 ( -8.189 0.000 -4.663) 9.423 4.739 ( 1.241 0.000 -0.957) 1.567 4.987 ( 5.622 0.000 1.144) 5.737 5.116 ( 7.797 0.000 -3.669) 8.617 5.196 ( -14.144 0.000 -5.324) 15.113 5.291 ( 1.066 0.000 1.665) 1.977 5.341 ( 1.198 0.000 3.270) 3.482 5.449 ( 1.169 0.000 5.806) 5.923 5.465 ( 7.241 0.000 0.545) 7.261 5.617 ( -3.875 0.000 -3.110) 4.968 5.682 ( 2.040 0.000 2.099) 2.927 5.689 ( 4.198 0.000 -0.631) 4.245 5.702 ( -10.534 0.000 -3.692) 11.162 5.959 ( -12.351 0.000 -8.214) 14.833 6.031 ( 16.088 0.000 -4.279) 16.647 6.031 ( -2.330 0.000 -5.896) 6.339 6.049 ( 5.932 0.000 -3.288) 6.782 6.117 ( 3.917 0.000 5.139) 6.461 6.246 ( 5.451 0.000 3.282) 6.362 6.383 ( -4.533 0.000 3.098) 5.491 6.463 ( -7.214 0.000 0.545) 7.235 6.493 ( -1.376 0.000 1.379) 1.948 6.634 ( 1.849 0.000 -13.618) 13.743 6.705 ( -0.873 0.000 7.159) 7.212 6.720 ( -2.134 0.000 -0.882) 2.309 6.855 ( 1.008 0.000 0.912) 1.359 6.881 ( -6.499 0.000 -0.501) 6.518 6.887 ( -18.878 0.000 15.360) 24.337 7.029 ( 6.181 0.000 -5.272) 8.124 7.153 ( -2.616 0.000 -2.994) 3.976 7.280 ( 0.326 0.000 -4.645) 4.657 7.313 ( -7.145 0.000 5.299) 8.896 7.451 ( -7.318 0.000 5.035) 8.882 7.661 ( 2.120 0.000 1.598) 2.655 7.752 ( 0.226 0.000 1.469) 1.486 7.829 ( -2.426 0.000 -0.511) 2.480 8.239 ( 11.747 0.000 -2.615) 12.035 8.280 ( -0.101 0.000 -1.184) 1.188 8.400 ( 3.933 0.000 -2.639) 4.736 8.455 ( -6.240 0.000 -4.208) 7.526 8.489 ( -6.283 0.000 -2.665) 6.825 8.571 ( 3.809 0.000 2.151) 4.374 8.584 ( 3.694 0.000 -0.654) 3.751 8.711 ( -1.871 0.000 -0.834) 2.048 8.899 ( 5.562 0.000 6.655) 8.674 8.974 ( 3.993 0.000 -5.238) 6.586 8.975 ( 1.296 0.000 2.226) 2.576 9.034 ( 2.316 0.000 -1.211) 2.614 9.101 ( -2.392 0.000 -2.945) 3.794 9.185 ( 0.636 0.000 -0.116) 0.647 9.186 ( -3.823 0.000 1.862) 4.252 9.333 ( -3.827 0.000 -0.036) 3.828 9.346 ( -2.175 0.000 -0.234) 2.187 9.614 ( 3.065 0.000 -0.115) 3.067 9.696 ( -1.093 0.000 4.084) 4.228 9.732 ( 1.821 0.000 2.932) 3.451 9.822 ( -4.107 0.000 5.911) 7.198 9.854 ( -6.226 0.000 0.138) 6.228 9.879 ( -2.448 0.000 -8.514) 8.859 9.943 ( -2.722 0.000 -2.002) 3.379 10.135 ( -1.410 0.000 -1.485) 2.048 10.195 ( -1.584 0.000 -1.461) 2.154 10.220 ( -0.098 0.000 0.286) 0.302 10.333 ( 6.384 0.000 8.061) 10.283 10.451 ( 1.726 0.000 -2.044) 2.676 10.541 ( 0.665 0.000 -2.892) 2.968 10.572 ( -3.254 0.000 2.840) 4.319 10.598 ( -6.063 0.000 -5.607) 8.258 10.750 ( 1.034 0.000 2.388) 2.602 10.799 ( -1.321 0.000 1.509) 2.005 10.875 ( 3.991 0.000 -0.476) 4.020 10.950 ( 1.862 0.000 -0.069) 1.863 11.069 ( 1.322 0.000 2.004) 2.401 11.188 ( 0.580 0.000 0.850) 1.029 11.346 ( 4.008 0.000 -7.750) 8.725 11.424 ( -2.862 0.000 3.923) 4.856 11.440 ( 1.577 0.000 3.267) 3.627 11.466 ( -2.249 0.000 -1.412) 2.656 11.639 ( -5.490 0.000 -4.595) 7.160 11.663 ( -3.282 0.000 -0.240) 3.291 11.862 ( 7.637 0.000 -1.102) 7.716 12.108 ( -8.101 0.000 7.186) 10.829 12.248 ( 0.527 0.000 3.134) 3.178 12.305 ( 1.851 0.000 -4.234) 4.621 12.376 ( 2.868 0.000 1.027) 3.047 12.497 ( 0.137 0.000 -0.283) 0.315 12.598 ( 3.970 0.000 -3.119) 5.048 12.770 ( 6.097 0.000 3.553) 7.057 12.785 ( 7.926 0.000 0.463) 7.940 12.857 ( 8.070 0.000 2.092) 8.337 12.907 ( 0.261 0.000 2.157) 2.172 13.033 ( -0.757 0.000 -1.906) 2.051 13.050 ( -4.542 0.000 -3.965) 6.029 13.080 ( -3.772 0.000 -1.440) 4.037 13.180 ( 5.805 0.000 -0.091) 5.805 13.329 ( -0.727 0.000 -2.558) 2.659 13.384 ( 4.343 0.000 1.088) 4.477 13.534 ( -0.683 0.000 -2.973) 3.050 13.976 ( -3.269 0.000 2.432) 4.075 14.249 ( 5.943 0.000 3.275) 6.786 14.352 ( 3.393 0.000 8.734) 9.370 14.370 ( 4.878 0.000 4.315) 6.513 14.479 ( -3.848 0.000 -1.790) 4.244 14.492 ( -1.991 0.000 -5.252) 5.616 14.637 ( 3.015 0.000 -4.375) 5.313 14.966 ( -1.592 0.000 8.386) 8.536 15.009 ( -1.874 0.000 -1.390) 2.333 15.090 ( 5.033 0.000 -6.828) 8.483 15.146 ( -5.371 0.000 -1.690) 5.631 15.335 ( 2.454 0.000 -10.356) 10.643 15.414 ( -5.038 0.000 -1.206) 5.180 15.462 ( -0.127 0.000 1.200) 1.206 15.876 ( -4.522 0.000 6.180) 7.657 16.218 ( 0.527 0.000 -0.197) 0.562 16.368 ( 0.962 0.000 0.178) 0.978 16.679 ( -0.019 0.000 0.807) 0.807 17.136 ( -2.155 0.000 1.080) 2.411 17.415 ( -2.831 0.000 -0.833) 2.951 17.416 ( -2.016 0.000 0.070) 2.017 17.472 ( -3.911 0.000 -0.050) 3.911 20.816 ( 0.912 0.000 -0.294) 0.959 20.899 ( 1.421 0.000 0.777) 1.619 21.139 ( 0.471 0.000 -2.151) 2.202 21.509 ( 0.944 0.000 -3.851) 3.965 21.640 ( 0.605 0.000 -2.029) 2.117 21.998 ( 0.274 0.000 0.460) 0.535 22.058 ( 0.591 0.000 -0.859) 1.042 22.323 ( 1.405 0.000 -0.776) 1.605 22.445 ( 1.122 0.000 -1.913) 2.217 22.555 ( -0.051 0.000 -0.180) 0.187 22.656 ( -1.626 0.000 2.132) 2.681 22.879 ( 0.286 0.000 1.027) 1.066 23.451 ( 5.439 0.000 3.059) 6.240 23.498 ( 4.512 0.000 -0.055) 4.513 23.798 ( 5.641 0.000 -4.060) 6.950 23.802 ( -5.831 0.000 10.645) 12.137 23.948 ( -9.767 0.000 4.490) 10.750 23.991 ( 0.304 0.000 -1.887) 1.911 24.061 ( -1.980 0.000 -0.664) 2.088 24.288 ( 5.264 0.000 0.199) 5.268 24.536 ( 11.870 0.000 -5.689) 13.163 24.733 ( -3.697 0.000 -0.920) 3.810 24.845 ( -15.161 0.000 6.881) 16.650 25.355 ( -8.527 0.000 -1.755) 8.706 26.595 ( 1.465 0.000 0.170) 1.474 26.650 ( 2.431 0.000 -1.325) 2.768 26.682 ( 0.281 0.000 1.484) 1.510 26.891 ( 0.713 0.000 -0.790) 1.064 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 35.532 0.000) 35.532 0.743 ( 0.000 38.150 0.000) 38.150 1.337 ( 0.000 65.988 0.000) 65.988 2.030 ( 0.000 -7.908 0.000) 7.908 2.229 ( 0.000 -17.848 0.000) 17.848 2.456 ( 0.000 -4.765 0.000) 4.765 2.489 ( 0.000 -11.771 0.000) 11.771 2.550 ( 0.000 5.314 0.000) 5.314 2.824 ( 0.000 3.345 0.000) 3.345 2.876 ( 0.000 3.513 0.000) 3.513 3.022 ( 0.000 4.918 0.000) 4.918 3.148 ( 0.000 -5.145 0.000) 5.145 3.185 ( 0.000 -1.055 0.000) 1.055 3.199 ( 0.000 -0.778 0.000) 0.778 3.200 ( 0.000 -1.231 0.000) 1.231 3.358 ( 0.000 -6.215 0.000) 6.215 3.463 ( 0.000 -1.353 0.000) 1.353 3.634 ( 0.000 -3.408 0.000) 3.408 3.752 ( 0.000 -4.729 0.000) 4.729 3.875 ( 0.000 2.322 0.000) 2.322 3.878 ( 0.000 4.719 0.000) 4.719 3.970 ( 0.000 3.729 0.000) 3.729 4.102 ( 0.000 3.496 0.000) 3.496 4.104 ( 0.000 7.647 0.000) 7.647 4.152 ( 0.000 3.587 0.000) 3.587 4.275 ( 0.000 -2.177 0.000) 2.177 4.350 ( 0.000 5.276 0.000) 5.276 4.398 ( 0.000 5.222 0.000) 5.222 4.493 ( 0.000 3.648 0.000) 3.648 4.514 ( 0.000 -4.660 0.000) 4.660 4.557 ( 0.000 -0.257 0.000) 0.257 4.601 ( 0.000 6.903 0.000) 6.903 4.651 ( 0.000 -0.791 0.000) 0.791 4.730 ( 0.000 7.215 0.000) 7.215 4.751 ( 0.000 -0.009 0.000) 0.009 4.904 ( 0.000 3.856 0.000) 3.856 5.071 ( 0.000 -0.593 0.000) 0.593 5.148 ( 0.000 4.386 0.000) 4.386 5.176 ( 0.000 0.801 0.000) 0.801 5.234 ( 0.000 4.818 0.000) 4.818 5.298 ( 0.000 -1.059 0.000) 1.059 5.384 ( 0.000 -1.259 0.000) 1.259 5.403 ( 0.000 -27.877 0.000) 27.877 5.444 ( 0.000 -1.161 0.000) 1.161 5.527 ( 0.000 -10.645 0.000) 10.645 5.676 ( 0.000 0.724 0.000) 0.724 5.850 ( 0.000 -4.530 0.000) 4.530 6.050 ( 0.000 10.154 0.000) 10.154 6.089 ( 0.000 -7.971 0.000) 7.971 6.128 ( 0.000 0.268 0.000) 0.268 6.420 ( 0.000 -11.634 0.000) 11.634 6.487 ( 0.000 5.182 0.000) 5.182 6.639 ( 0.000 -8.534 0.000) 8.534 6.784 ( 0.000 -4.551 0.000) 4.551 6.847 ( 0.000 -6.355 0.000) 6.355 7.003 ( 0.000 2.058 0.000) 2.058 7.101 ( 0.000 7.430 0.000) 7.430 7.149 ( 0.000 -8.348 0.000) 8.348 7.208 ( 0.000 4.998 0.000) 4.998 7.232 ( 0.000 -4.355 0.000) 4.355 7.352 ( 0.000 1.666 0.000) 1.666 7.408 ( 0.000 1.403 0.000) 1.403 7.540 ( 0.000 4.925 0.000) 4.925 7.541 ( 0.000 4.990 0.000) 4.990 7.617 ( 0.000 1.436 0.000) 1.436 7.621 ( 0.000 4.641 0.000) 4.641 7.896 ( 0.000 0.458 0.000) 0.458 7.978 ( 0.000 3.369 0.000) 3.369 8.021 ( 0.000 0.338 0.000) 0.338 8.089 ( 0.000 -6.703 0.000) 6.703 8.142 ( 0.000 -1.979 0.000) 1.979 8.334 ( 0.000 -1.954 0.000) 1.954 8.362 ( 0.000 1.283 0.000) 1.283 8.407 ( 0.000 2.795 0.000) 2.795 8.552 ( 0.000 4.823 0.000) 4.823 8.831 ( 0.000 -9.710 0.000) 9.710 8.866 ( 0.000 -4.249 0.000) 4.249 8.904 ( 0.000 -10.313 0.000) 10.313 9.137 ( 0.000 4.780 0.000) 4.780 9.203 ( 0.000 -1.223 0.000) 1.223 9.238 ( 0.000 -0.128 0.000) 0.128 9.270 ( 0.000 -2.452 0.000) 2.452 9.349 ( 0.000 1.721 0.000) 1.721 9.384 ( 0.000 -2.094 0.000) 2.094 9.579 ( 0.000 11.234 0.000) 11.234 9.778 ( 0.000 0.635 0.000) 0.635 9.799 ( 0.000 3.933 0.000) 3.933 9.816 ( 0.000 2.164 0.000) 2.164 9.929 ( 0.000 1.003 0.000) 1.003 9.970 ( 0.000 5.472 0.000) 5.472 10.027 ( 0.000 -2.962 0.000) 2.962 10.086 ( 0.000 1.734 0.000) 1.734 10.131 ( 0.000 5.188 0.000) 5.188 10.217 ( 0.000 -2.021 0.000) 2.021 10.228 ( 0.000 2.283 0.000) 2.283 10.329 ( 0.000 -8.325 0.000) 8.325 10.457 ( 0.000 -0.952 0.000) 0.952 10.507 ( 0.000 5.081 0.000) 5.081 10.583 ( 0.000 5.006 0.000) 5.006 10.712 ( 0.000 -0.451 0.000) 0.451 10.815 ( 0.000 1.744 0.000) 1.744 10.864 ( 0.000 -1.160 0.000) 1.160 10.937 ( 0.000 10.728 0.000) 10.728 10.996 ( 0.000 0.719 0.000) 0.719 11.158 ( 0.000 -1.687 0.000) 1.687 11.291 ( 0.000 2.460 0.000) 2.460 11.331 ( 0.000 -2.098 0.000) 2.098 11.392 ( 0.000 -2.600 0.000) 2.600 11.483 ( 0.000 -0.858 0.000) 0.858 11.511 ( 0.000 4.261 0.000) 4.261 11.539 ( 0.000 1.102 0.000) 1.102 11.740 ( 0.000 0.151 0.000) 0.151 11.839 ( 0.000 -2.690 0.000) 2.690 11.873 ( 0.000 -15.165 0.000) 15.165 11.929 ( 0.000 -0.257 0.000) 0.257 11.960 ( 0.000 -5.422 0.000) 5.422 12.176 ( 0.000 7.512 0.000) 7.512 12.180 ( 0.000 -0.390 0.000) 0.390 12.267 ( 0.000 0.666 0.000) 0.666 12.408 ( 0.000 -6.319 0.000) 6.319 12.444 ( 0.000 0.224 0.000) 0.224 12.479 ( 0.000 -0.523 0.000) 0.523 12.558 ( 0.000 -0.407 0.000) 0.407 12.943 ( 0.000 -0.156 0.000) 0.156 13.043 ( 0.000 5.004 0.000) 5.004 13.065 ( 0.000 -13.482 0.000) 13.482 13.143 ( 0.000 -6.059 0.000) 6.059 13.265 ( 0.000 4.535 0.000) 4.535 13.383 ( 0.000 1.284 0.000) 1.284 13.526 ( 0.000 3.903 0.000) 3.903 13.640 ( 0.000 5.386 0.000) 5.386 13.955 ( 0.000 -4.553 0.000) 4.553 14.154 ( 0.000 -1.733 0.000) 1.733 14.172 ( 0.000 -4.271 0.000) 4.271 14.402 ( 0.000 -2.061 0.000) 2.061 14.438 ( 0.000 -0.757 0.000) 0.757 14.474 ( 0.000 1.842 0.000) 1.842 14.811 ( 0.000 2.966 0.000) 2.966 14.823 ( 0.000 -4.231 0.000) 4.231 15.201 ( 0.000 -5.355 0.000) 5.355 15.260 ( 0.000 12.635 0.000) 12.635 15.463 ( 0.000 -5.571 0.000) 5.571 15.546 ( 0.000 1.805 0.000) 1.805 15.916 ( 0.000 5.319 0.000) 5.319 15.933 ( 0.000 7.421 0.000) 7.421 16.065 ( 0.000 -3.807 0.000) 3.807 16.341 ( 0.000 4.031 0.000) 4.031 16.621 ( 0.000 -1.871 0.000) 1.871 17.354 ( 0.000 0.487 0.000) 0.487 17.551 ( 0.000 -4.554 0.000) 4.554 17.821 ( 0.000 0.371 0.000) 0.371 17.834 ( 0.000 0.277 0.000) 0.277 20.747 ( 0.000 1.481 0.000) 1.481 20.921 ( 0.000 -2.625 0.000) 2.625 20.927 ( 0.000 0.990 0.000) 0.990 21.092 ( 0.000 -3.538 0.000) 3.538 21.710 ( 0.000 4.568 0.000) 4.568 21.959 ( 0.000 -1.577 0.000) 1.577 22.056 ( 0.000 3.604 0.000) 3.604 22.216 ( 0.000 0.731 0.000) 0.731 22.491 ( 0.000 3.585 0.000) 3.585 22.715 ( 0.000 -2.875 0.000) 2.875 22.880 ( 0.000 3.846 0.000) 3.846 22.918 ( 0.000 -0.325 0.000) 0.325 23.216 ( 0.000 -2.660 0.000) 2.660 23.223 ( 0.000 -3.250 0.000) 3.250 23.583 ( 0.000 2.806 0.000) 2.806 23.707 ( 0.000 0.552 0.000) 0.552 24.119 ( 0.000 -1.641 0.000) 1.641 24.128 ( 0.000 -2.152 0.000) 2.152 24.149 ( 0.000 -1.996 0.000) 1.996 24.401 ( 0.000 -9.332 0.000) 9.332 24.552 ( 0.000 9.297 0.000) 9.297 25.078 ( 0.000 -7.575 0.000) 7.575 25.632 ( 0.000 16.750 0.000) 16.750 26.312 ( 0.000 -2.613 0.000) 2.613 26.446 ( 0.000 0.292 0.000) 0.292 26.475 ( 0.000 -0.432 0.000) 0.432 26.496 ( 0.000 0.204 0.000) 0.204 26.660 ( 0.000 -5.213 0.000) 5.213 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 26.536 23.455 -2.944) 35.538 1.176 ( 26.149 25.480 8.433) 37.471 1.844 ( 31.524 30.139 9.515) 44.639 1.954 ( 3.747 4.681 3.028) 6.717 2.311 ( 7.238 -15.155 3.031) 17.066 2.464 ( 1.916 -2.909 2.816) 4.479 2.554 ( 2.411 -1.813 -2.812) 4.124 2.628 ( 6.263 -5.518 4.294) 9.387 2.770 ( -7.240 7.095 -0.280) 10.140 2.904 ( 4.326 1.304 -1.890) 4.897 2.954 ( -5.433 -2.607 -0.219) 6.030 3.063 ( 3.728 4.862 -0.669) 6.163 3.222 ( 6.046 -8.082 -0.904) 10.133 3.323 ( 2.375 -1.475 -8.004) 8.479 3.410 ( 5.881 -0.952 -1.945) 6.267 3.429 ( 8.973 -2.142 -2.225) 9.489 3.464 ( 8.729 -1.737 5.248) 10.332 3.640 ( -1.654 -3.900 4.918) 6.491 3.750 ( 1.408 -4.209 1.067) 4.565 3.825 ( -2.295 1.280 -1.138) 2.863 3.899 ( -5.417 4.489 -1.933) 7.296 3.934 ( -4.074 2.776 -2.247) 5.418 4.049 ( 0.336 5.075 -2.900) 5.854 4.134 ( 5.370 -1.320 0.403) 5.545 4.205 ( -2.899 5.237 -2.548) 6.506 4.282 ( -4.882 0.798 -1.537) 5.180 4.371 ( 7.047 1.525 -0.776) 7.252 4.424 ( -3.462 0.342 2.806) 4.469 4.478 ( -1.751 -0.207 1.414) 2.260 4.497 ( -3.918 2.149 2.812) 5.280 4.549 ( -3.599 0.190 1.754) 4.008 4.594 ( 0.100 3.424 -1.587) 3.775 4.686 ( 0.484 0.577 2.758) 2.859 4.770 ( 6.543 4.475 -0.639) 7.953 4.875 ( 5.534 8.571 0.298) 10.207 4.959 ( 0.952 -2.212 5.419) 5.930 5.024 ( 3.825 -3.145 -7.765) 9.210 5.134 ( -7.869 2.404 2.307) 8.546 5.206 ( 11.368 -6.443 -3.378) 13.497 5.308 ( 9.786 4.008 -4.609) 11.536 5.346 ( 3.402 -4.340 -8.032) 9.743 5.404 ( 3.664 -11.642 2.594) 12.477 5.472 ( 7.318 -0.083 5.125) 8.935 5.563 ( 4.340 -6.778 1.524) 8.192 5.622 ( 10.894 -9.875 0.368) 14.708 5.710 ( 0.398 -3.079 0.237) 3.113 5.949 ( -3.337 6.679 0.710) 7.500 5.952 ( 8.665 -2.443 2.343) 9.303 6.031 ( -2.655 2.211 1.473) 3.756 6.177 ( -1.506 -2.976 -5.083) 6.080 6.243 ( -10.336 -0.631 3.437) 10.911 6.473 ( -0.991 -8.835 -2.071) 9.128 6.623 ( -10.905 -0.934 0.685) 10.967 6.741 ( -1.619 -3.277 -5.488) 6.594 6.799 ( -3.995 -1.137 2.368) 4.781 6.899 ( -3.823 -1.177 0.129) 4.002 7.016 ( -8.134 -1.742 -3.351) 8.968 7.072 ( -1.671 -3.796 -1.020) 4.271 7.171 ( -10.263 5.952 0.527) 11.876 7.210 ( -1.112 6.939 -6.412) 9.513 7.309 ( -7.085 -0.839 -3.806) 8.086 7.391 ( 1.154 3.711 2.123) 4.428 7.403 ( -1.812 -0.183 3.837) 4.247 7.583 ( -6.774 -4.048 7.898) 11.164 7.669 ( 0.594 8.002 2.797) 8.497 7.701 ( -5.639 0.130 -2.969) 6.374 7.855 ( -11.868 -1.807 10.252) 15.787 7.904 ( -0.753 0.464 -3.302) 3.418 8.004 ( 15.498 0.905 3.408) 15.894 8.117 ( -0.810 1.765 -5.257) 5.604 8.219 ( 7.869 -1.170 -3.074) 8.529 8.306 ( -3.365 3.971 -6.283) 8.159 8.423 ( 1.782 0.760 5.199) 5.548 8.439 ( 2.609 3.906 0.104) 4.698 8.572 ( -9.724 8.862 -1.393) 13.230 8.601 ( 4.476 0.986 -1.714) 4.894 8.860 ( 1.365 -3.450 0.740) 3.783 8.868 ( -2.993 -9.230 -2.719) 10.077 8.975 ( 0.286 -4.823 -0.939) 4.922 9.110 ( -5.635 1.718 -7.781) 9.759 9.208 ( -6.904 -1.545 0.156) 7.077 9.266 ( -2.791 -3.618 -0.949) 4.667 9.348 ( 1.598 1.990 2.105) 3.308 9.393 ( 1.719 -0.349 5.722) 5.985 9.476 ( -1.974 8.640 3.407) 9.495 9.642 ( -3.395 7.670 -1.645) 8.548 9.685 ( -3.721 6.240 1.368) 7.393 9.808 ( -4.255 3.609 0.355) 5.591 9.907 ( -0.338 0.048 -0.577) 0.670 9.958 ( -0.033 0.556 2.296) 2.363 10.102 ( 0.903 -1.889 0.715) 2.212 10.151 ( -1.658 1.053 -1.132) 2.267 10.201 ( -0.007 -0.262 0.862) 0.901 10.229 ( 7.461 1.075 -0.081) 7.539 10.293 ( -2.437 -2.799 -6.576) 7.552 10.314 ( -0.265 2.042 2.263) 3.060 10.439 ( -4.978 0.874 1.839) 5.378 10.483 ( 0.265 -1.639 -1.353) 2.142 10.572 ( -2.923 -1.698 0.063) 3.381 10.688 ( -3.237 6.834 4.937) 9.031 10.764 ( 0.159 2.329 -3.272) 4.019 10.858 ( -4.274 6.646 1.089) 7.977 10.934 ( -1.498 2.627 -1.291) 3.288 11.046 ( -2.880 -1.829 -3.313) 4.756 11.152 ( 4.515 -4.194 -2.193) 6.541 11.192 ( -5.386 1.131 -3.186) 6.359 11.324 ( -2.594 -0.676 -2.118) 3.416 11.402 ( -0.767 -4.352 0.814) 4.493 11.457 ( 3.709 -3.972 4.812) 7.259 11.495 ( -2.662 2.727 -1.907) 4.261 11.600 ( 6.058 4.116 1.368) 7.451 11.828 ( -2.600 -3.226 3.111) 5.182 11.935 ( 2.140 -1.147 -0.154) 2.433 11.953 ( 1.590 -3.677 3.457) 5.292 12.016 ( 12.424 -3.176 0.389) 12.829 12.108 ( 9.065 -10.622 -1.240) 14.019 12.163 ( 3.735 3.154 2.900) 5.684 12.224 ( 3.635 1.103 -2.753) 4.691 12.362 ( 3.983 -6.071 -1.692) 7.456 12.455 ( 5.033 1.849 -1.484) 5.564 12.474 ( 5.978 -2.119 6.523) 9.098 12.585 ( 8.169 -4.301 3.761) 9.969 12.686 ( 8.902 0.282 0.976) 8.960 12.883 ( -3.885 -0.773 -6.152) 7.317 12.979 ( -3.437 -8.412 0.217) 9.090 13.033 ( 0.622 -0.376 -4.165) 4.228 13.232 ( 7.340 -2.403 -4.589) 8.983 13.288 ( 1.363 3.943 1.844) 4.561 13.363 ( -0.897 3.858 -2.556) 4.714 13.589 ( 9.835 0.992 -9.153) 13.471 13.947 ( 0.997 -4.377 0.917) 4.582 14.054 ( 2.848 -5.538 1.738) 6.465 14.092 ( 9.008 -2.210 14.016) 16.807 14.227 ( -3.333 -0.998 3.452) 4.901 14.346 ( 3.658 -0.320 -1.234) 3.873 14.422 ( 0.927 -6.364 -2.326) 6.839 14.678 ( 8.822 -3.794 3.639) 10.270 14.754 ( 0.012 0.521 -4.483) 4.513 14.876 ( 2.570 -2.875 4.106) 5.633 15.160 ( 0.693 2.310 -15.306) 15.494 15.323 ( 8.419 -2.188 -19.284) 21.155 15.422 ( -5.020 -4.977 4.016) 8.130 15.547 ( -2.683 1.101 8.140) 8.641 15.835 ( -3.338 8.010 -7.526) 11.487 15.940 ( -6.665 3.255 13.652) 15.537 16.086 ( 0.411 -6.593 5.115) 8.354 16.354 ( 1.550 4.638 -0.439) 4.910 16.630 ( 0.091 -2.018 2.103) 2.916 17.306 ( -4.959 0.323 1.335) 5.146 17.507 ( -4.414 -4.810 1.102) 6.621 17.720 ( -7.749 2.859 -2.695) 8.688 17.753 ( -6.613 0.244 0.247) 6.622 20.773 ( 1.813 1.593 0.675) 2.506 20.832 ( -0.359 3.986 1.280) 4.202 21.076 ( 1.675 -5.696 -4.909) 7.703 21.194 ( 13.830 -13.879 -9.797) 21.906 21.710 ( 0.149 5.222 -0.114) 5.226 21.981 ( 2.013 -1.919 -0.327) 2.800 22.087 ( 2.246 4.355 0.075) 4.901 22.238 ( 2.195 1.790 0.275) 2.845 22.522 ( 2.834 3.791 -0.465) 4.756 22.689 ( -1.994 5.831 -5.344) 8.157 22.806 ( -4.124 4.316 -6.731) 8.997 22.886 ( -0.691 2.512 0.468) 2.647 23.212 ( 0.447 -0.399 2.146) 2.228 23.247 ( 2.698 -3.110 0.336) 4.131 23.585 ( -0.705 -1.383 5.990) 6.188 23.736 ( 2.118 -1.216 0.334) 2.465 24.063 ( -2.212 1.906 -4.273) 5.176 24.119 ( -3.574 0.485 8.528) 9.260 24.169 ( -0.683 3.402 -0.262) 3.480 24.298 ( -7.969 6.374 7.620) 12.736 24.377 ( -7.492 -2.508 7.573) 10.944 24.956 ( -10.669 -8.769 -1.326) 13.873 25.555 ( -10.287 15.325 5.171) 19.169 25.988 ( -17.614 6.958 0.301) 18.941 26.477 ( 2.870 0.287 0.216) 2.893 26.513 ( 3.166 0.469 -0.707) 3.277 26.555 ( 4.102 -1.515 0.905) 4.465 26.769 ( 5.682 -7.300 -4.531) 10.301 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 29.586 10.571 -4.073) 31.681 1.743 ( 18.744 13.939 3.215) 23.579 1.816 ( 8.120 5.559 -0.533) 9.855 2.396 ( -2.404 2.761 4.323) 5.665 2.437 ( 0.117 -3.774 -5.992) 7.083 2.545 ( 3.329 -6.318 5.372) 8.937 2.583 ( -3.235 5.303 -2.955) 6.878 2.755 ( 0.873 0.016 6.937) 6.992 2.797 ( 8.080 -1.790 6.444) 10.488 2.972 ( 5.898 -0.427 1.408) 6.078 3.046 ( 11.261 -1.861 -1.720) 11.543 3.186 ( -2.761 -0.243 -10.013) 10.389 3.261 ( 17.187 3.912 5.718) 18.531 3.326 ( 9.518 -2.022 -0.800) 9.764 3.517 ( 2.557 -1.515 -3.722) 4.763 3.569 ( -0.817 0.977 -1.932) 2.314 3.595 ( -0.769 -4.875 2.202) 5.404 3.655 ( -2.500 -5.412 -3.666) 6.998 3.701 ( -5.143 4.250 -3.843) 7.699 3.730 ( -1.208 -2.245 -2.127) 3.320 3.860 ( 1.991 -2.694 10.755) 11.264 3.908 ( 8.039 0.249 2.934) 8.562 3.971 ( -2.958 -0.931 -7.220) 7.858 4.115 ( -3.731 -1.006 -5.009) 6.326 4.144 ( -1.143 1.918 -3.835) 4.437 4.298 ( -8.132 -1.473 0.951) 8.319 4.341 ( 7.114 2.726 6.073) 9.743 4.380 ( -3.623 2.773 1.594) 4.832 4.446 ( 1.143 5.677 2.291) 6.227 4.507 ( 2.229 -1.491 -0.732) 2.779 4.549 ( 2.055 12.036 -2.299) 12.424 4.658 ( -0.586 0.271 1.398) 1.540 4.717 ( -5.041 9.997 2.610) 11.496 4.820 ( 4.336 5.347 0.731) 6.923 4.857 ( 2.902 1.990 0.137) 3.521 4.992 ( 3.635 1.964 -2.164) 4.664 5.118 ( 6.500 -4.718 -0.068) 8.032 5.190 ( 4.331 -3.844 3.310) 6.670 5.306 ( 1.067 3.039 -4.553) 5.577 5.376 ( 3.110 -5.963 0.758) 6.768 5.429 ( 4.041 -1.223 -0.208) 4.228 5.519 ( 5.369 -8.251 -3.237) 10.362 5.634 ( 6.294 -0.187 1.399) 6.451 5.726 ( 8.940 -4.315 -5.534) 11.366 5.754 ( 8.822 7.144 2.541) 11.633 5.804 ( 3.749 -5.749 3.177) 7.563 5.941 ( -3.065 4.721 -2.244) 6.059 5.986 ( 7.126 4.838 -6.203) 10.614 6.028 ( -2.535 -4.557 0.809) 5.277 6.188 ( 8.253 -1.127 -3.190) 8.919 6.252 ( -3.136 2.721 9.396) 10.272 6.336 ( -1.921 -0.201 2.584) 3.226 6.542 ( -1.608 -0.588 2.253) 2.830 6.593 ( -4.101 -5.642 -3.633) 7.864 6.690 ( -8.806 -4.253 -2.341) 10.056 6.795 ( -10.624 -0.809 -7.801) 13.206 6.884 ( 0.940 -3.428 -2.978) 4.638 6.931 ( -9.472 4.956 -7.197) 12.887 6.983 ( -8.960 4.408 0.787) 10.016 7.080 ( -11.146 5.141 0.844) 12.303 7.141 ( -3.887 2.457 2.607) 5.286 7.289 ( -12.392 -2.406 4.640) 13.449 7.378 ( -5.452 4.760 5.825) 9.290 7.446 ( -7.518 -6.745 -0.904) 10.141 7.533 ( -11.728 -3.793 8.529) 14.989 7.680 ( -4.181 7.127 5.421) 9.882 7.783 ( -2.283 0.409 0.173) 2.325 7.846 ( -1.206 -0.814 -1.351) 1.986 8.093 ( 6.569 3.585 -6.032) 9.612 8.232 ( 3.675 -0.626 -5.467) 6.617 8.334 ( 8.011 1.272 1.160) 8.194 8.399 ( 11.381 -1.259 -4.014) 12.134 8.449 ( -0.994 -0.195 0.125) 1.021 8.502 ( 6.793 0.483 -3.127) 7.494 8.578 ( 2.448 -0.959 1.415) 2.986 8.683 ( 3.244 -3.457 3.947) 6.169 8.782 ( -3.980 -6.591 -2.043) 7.966 8.897 ( -2.082 -4.349 -6.583) 8.160 8.957 ( 2.775 -3.039 -0.146) 4.118 9.009 ( -4.737 1.644 -0.819) 5.081 9.045 ( -2.276 -4.532 0.714) 5.122 9.189 ( -4.889 -4.434 1.627) 6.798 9.343 ( -1.303 6.045 -3.853) 7.286 9.395 ( -2.155 0.451 -1.411) 2.615 9.519 ( -1.157 5.581 3.098) 6.487 9.598 ( -0.546 7.906 4.570) 9.148 9.689 ( 0.815 4.558 5.056) 6.856 9.743 ( -1.916 1.581 2.469) 3.503 9.869 ( -3.072 -2.319 -1.359) 4.082 9.947 ( -7.770 -1.225 -1.836) 8.078 10.022 ( -3.840 -3.001 3.016) 5.731 10.061 ( -6.784 0.913 -2.417) 7.259 10.184 ( 1.911 0.159 -1.582) 2.486 10.243 ( -0.979 4.550 -1.798) 4.989 10.258 ( -2.019 2.014 4.453) 5.288 10.329 ( -2.715 4.669 -0.206) 5.405 10.398 ( 3.117 0.580 -4.386) 5.412 10.493 ( 4.029 -1.530 -2.950) 5.223 10.596 ( 2.338 -4.052 3.252) 5.698 10.669 ( -4.179 4.083 8.127) 10.010 10.763 ( 1.369 1.051 -4.646) 4.957 10.808 ( 1.213 3.770 -1.859) 4.375 10.895 ( -5.270 1.441 -4.771) 7.253 10.937 ( -0.458 2.893 2.606) 3.920 11.081 ( -4.285 -0.311 0.669) 4.348 11.224 ( 2.426 3.747 -0.528) 4.494 11.295 ( 1.016 -3.048 -2.466) 4.051 11.410 ( 1.695 -2.882 -1.110) 3.523 11.426 ( -2.238 2.954 -0.927) 3.821 11.559 ( 1.278 1.091 5.842) 6.079 11.662 ( -0.190 -1.733 -3.522) 3.930 11.768 ( -1.909 -3.085 1.511) 3.930 11.796 ( -9.654 -1.011 -1.354) 9.801 12.080 ( 5.530 -2.671 5.582) 8.299 12.165 ( 0.453 -4.985 2.747) 5.710 12.232 ( 6.581 -8.068 -4.261) 11.250 12.273 ( 3.754 -0.061 -4.271) 5.686 12.364 ( 4.072 -0.776 0.622) 4.191 12.487 ( 14.421 0.776 6.804) 15.964 12.554 ( 5.967 2.070 0.797) 6.366 12.677 ( 6.019 -3.228 1.084) 6.916 12.762 ( -0.841 -2.772 -2.841) 4.057 12.802 ( 10.462 -2.712 2.208) 11.031 12.872 ( 6.705 -0.940 0.377) 6.781 12.945 ( 0.552 -7.874 0.175) 7.895 13.087 ( 6.586 -0.851 -3.823) 7.663 13.282 ( -1.620 0.646 -3.433) 3.850 13.287 ( 0.677 -2.122 -2.780) 3.562 13.387 ( 3.547 10.618 0.221) 11.197 13.637 ( 0.713 4.548 -6.947) 8.334 14.031 ( 6.142 -2.735 5.897) 8.943 14.072 ( -0.636 -0.313 3.973) 4.036 14.188 ( 2.484 1.044 0.252) 2.706 14.285 ( -0.052 -6.520 4.361) 7.844 14.398 ( 2.926 -0.606 3.797) 4.831 14.528 ( 8.788 0.562 -4.412) 9.849 14.630 ( -5.626 0.550 -1.535) 5.858 14.900 ( 4.168 -8.947 1.438) 9.974 14.944 ( 2.765 -5.322 0.766) 6.046 15.105 ( 1.998 3.872 -1.124) 4.499 15.262 ( -2.617 1.083 -9.852) 10.251 15.349 ( -1.347 -2.507 -8.810) 9.259 15.537 ( -1.411 2.999 0.849) 3.421 15.688 ( -7.085 9.308 -5.238) 12.817 15.884 ( -6.777 -2.010 11.508) 13.506 16.123 ( 0.635 -6.897 2.481) 7.357 16.388 ( 1.838 4.228 -0.431) 4.630 16.644 ( -0.065 -2.434 1.854) 3.061 17.207 ( -5.504 0.547 2.060) 5.902 17.417 ( -4.972 -5.383 1.279) 7.439 17.551 ( -7.269 1.809 -2.591) 7.926 17.599 ( -8.269 -0.074 0.063) 8.269 20.802 ( 1.330 1.340 -0.693) 2.011 20.881 ( 2.926 3.439 2.048) 4.958 21.064 ( 0.706 -6.424 -4.944) 8.137 21.330 ( 6.669 -13.372 -8.034) 16.966 21.719 ( 0.959 6.676 -0.599) 6.771 22.017 ( 1.559 -2.205 -0.216) 2.709 22.115 ( 1.273 7.864 -2.205) 8.266 22.305 ( 3.889 2.996 0.917) 4.994 22.550 ( -0.532 2.695 -1.159) 2.981 22.601 ( -0.558 10.563 -9.518) 14.229 22.726 ( -2.905 2.807 4.596) 6.119 22.905 ( 1.520 3.966 1.013) 4.367 23.279 ( 3.986 -2.409 4.577) 6.530 23.331 ( 5.185 -4.662 0.967) 7.040 23.624 ( -1.579 -7.100 9.779) 12.187 23.762 ( -0.757 -6.133 2.106) 6.529 24.003 ( -0.765 3.915 -4.904) 6.322 24.098 ( -4.895 0.701 1.533) 5.177 24.158 ( -1.479 6.376 11.519) 13.249 24.272 ( -0.853 -0.328 -3.676) 3.788 24.363 ( 7.384 0.465 -1.208) 7.497 24.721 ( -11.359 -10.373 0.696) 15.399 25.320 ( -15.881 13.851 4.346) 21.516 25.656 ( -16.502 3.094 -1.413) 16.849 26.544 ( 3.353 0.132 0.283) 3.367 26.587 ( 4.106 -0.118 -1.090) 4.250 26.634 ( 3.038 -0.697 1.435) 3.432 26.826 ( 2.851 -4.702 -2.227) 5.933 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 2.830 8.718 -4.726) 10.312 2.059 ( 18.587 4.819 -5.338) 19.930 2.216 ( 3.477 -0.698 1.397) 3.811 2.305 ( -8.189 0.511 5.161) 9.694 2.402 ( 10.270 1.133 2.768) 10.696 2.590 ( 3.317 1.651 0.596) 3.753 2.648 ( 3.497 -3.428 4.380) 6.570 2.776 ( 0.166 5.182 3.243) 6.115 2.813 ( -1.551 -1.169 2.141) 2.891 3.002 ( -3.679 2.009 -9.309) 10.210 3.067 ( -8.646 0.378 -0.805) 8.691 3.196 ( 4.592 -0.172 -0.081) 4.596 3.217 ( -6.757 -1.061 -2.106) 7.157 3.401 ( 2.676 1.730 -3.353) 4.626 3.458 ( -3.272 -5.815 -1.974) 6.958 3.520 ( -2.997 -5.000 -0.175) 5.832 3.549 ( 0.540 -3.468 -2.751) 4.460 3.643 ( -5.268 -7.646 -5.426) 10.754 3.717 ( 1.650 -5.896 -1.479) 6.298 3.760 ( 3.444 -8.218 -3.336) 9.514 3.935 ( -2.558 2.581 2.572) 4.452 3.950 ( -0.356 -3.152 2.646) 4.131 4.104 ( 7.335 -5.037 5.697) 10.565 4.122 ( -1.522 2.763 -0.196) 3.160 4.153 ( -2.537 -2.859 0.587) 3.867 4.358 ( 13.922 11.436 8.481) 19.913 4.433 ( 8.771 4.008 1.148) 9.711 4.469 ( 0.401 10.360 -1.473) 10.472 4.476 ( 5.962 2.277 2.035) 6.699 4.547 ( 5.301 9.605 1.329) 11.051 4.602 ( -1.115 5.873 -1.175) 6.092 4.641 ( 5.253 8.837 -0.220) 10.282 4.682 ( 1.772 1.126 2.319) 3.128 4.715 ( -7.311 6.207 1.726) 9.745 4.945 ( -6.500 -11.012 -1.937) 12.933 5.079 ( 5.564 4.057 -0.786) 6.931 5.216 ( 2.255 -2.187 -0.234) 3.150 5.229 ( 0.454 3.417 0.100) 3.449 5.363 ( 5.846 1.925 -0.027) 6.154 5.465 ( 0.127 0.268 1.517) 1.546 5.515 ( 7.709 -1.328 1.305) 7.931 5.580 ( 3.411 -3.476 -0.492) 4.894 5.644 ( -8.487 -0.253 -2.047) 8.734 5.709 ( 0.869 0.405 3.190) 3.331 5.783 ( -2.896 3.974 -0.609) 4.954 5.925 ( 1.833 -5.433 -4.734) 7.435 5.960 ( -8.452 -2.090 -4.048) 9.602 6.040 ( -8.017 1.965 -3.001) 8.783 6.086 ( 11.319 0.193 -6.776) 13.194 6.163 ( 14.711 4.864 -2.269) 15.660 6.274 ( -4.875 2.041 5.349) 7.520 6.342 ( -1.315 2.993 0.167) 3.273 6.454 ( 1.647 -2.409 -1.754) 3.405 6.565 ( -2.410 0.199 5.648) 6.144 6.641 ( 3.262 1.019 -3.422) 4.836 6.714 ( 1.758 0.235 -0.721) 1.914 6.758 ( -7.315 5.837 2.217) 9.617 6.844 ( -9.271 -0.379 2.693) 9.661 6.871 ( 2.834 -4.844 -2.142) 6.007 6.942 ( -4.061 7.389 0.371) 8.439 7.006 ( -6.217 4.395 3.707) 8.468 7.179 ( 2.882 -2.545 -2.096) 4.379 7.222 ( -10.777 -6.277 -3.563) 12.970 7.310 ( -5.356 1.946 5.288) 7.774 7.414 ( -4.251 -3.672 3.587) 6.665 7.667 ( 0.458 0.955 1.359) 1.723 7.731 ( -2.580 -4.463 0.081) 5.156 7.810 ( -2.207 -0.556 0.368) 2.306 8.218 ( 4.503 -2.944 -2.433) 5.905 8.280 ( 5.720 -1.179 -1.917) 6.146 8.394 ( 0.844 -1.126 -1.391) 1.979 8.433 ( -0.531 -0.180 -1.642) 1.735 8.445 ( -7.816 -1.772 -2.751) 8.473 8.536 ( 3.506 -1.349 -1.210) 3.946 8.649 ( 4.600 4.233 -0.981) 6.327 8.733 ( -2.344 1.066 0.681) 2.663 8.808 ( 6.828 -8.280 1.777) 10.878 8.895 ( -1.154 -8.014 1.160) 8.180 8.947 ( 3.463 0.117 2.296) 4.157 9.005 ( 1.292 -2.056 -4.182) 4.835 9.038 ( -1.624 -4.426 -0.918) 4.803 9.116 ( -2.942 -4.476 2.139) 5.768 9.301 ( -0.577 5.144 -2.721) 5.849 9.353 ( -1.344 2.090 2.769) 3.720 9.453 ( -2.411 8.082 -1.372) 8.544 9.655 ( 1.542 3.323 0.207) 3.670 9.722 ( -1.364 0.334 2.241) 2.644 9.739 ( -5.202 0.007 2.698) 5.860 9.760 ( -1.043 2.651 2.353) 3.695 9.824 ( 1.439 -0.936 -2.030) 2.659 9.921 ( -6.332 0.706 -0.848) 6.428 9.993 ( -1.810 0.885 -1.897) 2.767 10.164 ( -1.726 0.221 -0.485) 1.806 10.206 ( 0.806 0.438 -1.043) 1.389 10.278 ( -1.008 8.496 -0.438) 8.567 10.347 ( 1.631 -0.124 1.420) 2.166 10.426 ( 3.728 0.371 3.948) 5.443 10.559 ( 0.649 2.302 -0.911) 2.559 10.575 ( -0.211 1.396 -3.660) 3.923 10.665 ( -4.273 2.917 2.067) 5.572 10.738 ( -0.380 -1.051 1.835) 2.149 10.787 ( -0.666 -0.642 -4.434) 4.529 10.873 ( 3.145 -0.586 -1.083) 3.377 10.965 ( 0.371 3.861 2.570) 4.652 11.054 ( 0.514 -1.011 1.426) 1.822 11.258 ( 0.841 4.324 1.199) 4.566 11.331 ( 2.776 -2.131 0.733) 3.575 11.412 ( 0.388 2.699 1.687) 3.207 11.422 ( 1.493 -3.558 -2.856) 4.801 11.509 ( -5.395 -1.495 -5.713) 7.999 11.592 ( -5.295 -0.938 -1.050) 5.479 11.643 ( -1.919 1.029 2.788) 3.538 11.835 ( 3.690 -4.269 0.990) 5.729 12.142 ( -2.656 3.105 6.355) 7.555 12.157 ( -0.138 -10.288 -0.273) 10.292 12.295 ( 1.468 -2.502 -2.035) 3.543 12.302 ( 2.819 -3.997 -3.862) 6.232 12.437 ( 0.980 0.076 1.717) 1.978 12.679 ( 4.111 2.097 0.533) 4.646 12.707 ( 0.227 -3.678 -0.521) 3.722 12.714 ( 5.851 -7.339 1.106) 9.451 12.868 ( 4.146 -1.929 -0.086) 4.574 12.903 ( 2.969 -0.100 2.229) 3.714 12.958 ( 6.077 -3.092 0.571) 6.842 13.033 ( 2.871 -0.058 0.562) 2.926 13.153 ( -4.253 1.476 -3.465) 5.681 13.211 ( 0.691 4.796 0.120) 4.847 13.276 ( 0.325 -3.947 -2.925) 4.924 13.442 ( 1.937 5.568 0.038) 5.896 13.616 ( 1.469 7.938 -3.045) 8.628 14.029 ( -3.117 3.833 1.030) 5.047 14.223 ( 6.412 -3.632 6.038) 9.527 14.241 ( 0.561 -14.176 1.904) 14.314 14.341 ( 5.016 -4.486 0.810) 6.778 14.426 ( -2.172 1.558 -1.132) 2.903 14.487 ( -5.471 2.638 -5.173) 7.978 14.670 ( 5.570 4.221 2.443) 7.403 14.884 ( -2.141 -7.777 -0.597) 8.089 15.012 ( 2.071 -5.828 2.947) 6.851 15.155 ( -3.179 6.010 -4.343) 8.068 15.215 ( 1.755 11.100 5.239) 12.399 15.283 ( 4.777 -4.583 -6.571) 9.328 15.461 ( -7.201 2.814 -4.810) 9.105 15.562 ( -1.242 7.122 -0.797) 7.273 15.839 ( -3.126 -2.055 5.277) 6.469 16.143 ( 0.447 -6.822 0.255) 6.841 16.411 ( 0.683 3.441 -0.236) 3.516 16.649 ( -0.163 -2.940 0.549) 2.996 17.141 ( -2.111 0.674 1.097) 2.473 17.350 ( -2.133 -5.540 0.619) 5.969 17.430 ( -3.226 1.119 -1.087) 3.584 17.473 ( -3.665 -0.191 -0.141) 3.673 20.820 ( 0.721 0.648 -0.382) 1.042 20.937 ( 1.338 3.501 0.978) 3.874 21.047 ( 0.182 -7.177 -2.271) 7.530 21.375 ( 1.832 -11.047 -2.652) 11.508 21.733 ( 0.661 7.867 -0.499) 7.911 22.036 ( 0.501 -2.208 -0.102) 2.267 22.120 ( 0.508 9.942 -1.087) 10.015 22.379 ( 2.522 4.720 1.012) 5.446 22.515 ( -1.591 5.484 -3.100) 6.497 22.535 ( -1.316 -1.646 -0.799) 2.254 22.733 ( 0.153 8.062 1.727) 8.246 22.937 ( 0.849 5.532 0.709) 5.641 23.407 ( 4.532 -5.183 5.098) 8.567 23.436 ( 4.765 -5.760 -2.740) 7.962 23.629 ( -2.664 -9.318 5.583) 11.185 23.733 ( -2.808 -9.465 1.242) 9.951 23.968 ( 1.869 0.607 -8.409) 8.636 24.019 ( -4.301 0.165 2.691) 5.076 24.093 ( -4.751 5.712 4.377) 8.623 24.382 ( 6.507 6.975 0.958) 9.587 24.507 ( 6.420 -4.854 -7.944) 11.309 24.590 ( -2.173 -4.727 6.606) 8.408 25.050 ( -11.413 12.589 2.174) 17.130 25.368 ( -9.557 0.859 -1.378) 9.694 26.595 ( 1.450 -0.003 0.122) 1.455 26.640 ( 1.670 -1.099 -0.584) 2.083 26.683 ( 1.084 0.394 0.705) 1.352 26.855 ( 0.976 -3.518 -0.632) 3.705 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 28.253 0.000) 28.253 1.448 ( 0.000 34.878 0.000) 34.878 1.746 ( 0.000 -16.511 0.000) 16.511 1.961 ( 0.000 4.078 0.000) 4.078 2.058 ( 0.000 -27.895 0.000) 27.895 2.210 ( 0.000 -16.393 0.000) 16.393 2.672 ( 0.000 7.112 0.000) 7.112 2.687 ( 0.000 40.737 0.000) 40.737 2.830 ( 0.000 -2.046 0.000) 2.046 2.910 ( 0.000 4.505 0.000) 4.505 3.051 ( 0.000 1.993 0.000) 1.993 3.144 ( 0.000 -2.489 0.000) 2.489 3.174 ( 0.000 5.504 0.000) 5.504 3.192 ( 0.000 -0.445 0.000) 0.445 3.226 ( 0.000 -2.718 0.000) 2.718 3.419 ( 0.000 20.536 0.000) 20.536 3.453 ( 0.000 1.317 0.000) 1.317 3.539 ( 0.000 -17.380 0.000) 17.380 3.542 ( 0.000 -2.930 0.000) 2.930 3.943 ( 0.000 3.536 0.000) 3.536 3.973 ( 0.000 -4.977 0.000) 4.977 3.994 ( 0.000 -1.363 0.000) 1.363 4.191 ( 0.000 2.533 0.000) 2.533 4.213 ( 0.000 3.219 0.000) 3.219 4.241 ( 0.000 5.834 0.000) 5.834 4.280 ( 0.000 3.638 0.000) 3.638 4.326 ( 0.000 -6.087 0.000) 6.087 4.396 ( 0.000 -7.111 0.000) 7.111 4.427 ( 0.000 -6.959 0.000) 6.959 4.432 ( 0.000 -29.767 0.000) 29.767 4.532 ( 0.000 -2.977 0.000) 2.977 4.596 ( 0.000 -2.784 0.000) 2.784 4.730 ( 0.000 4.852 0.000) 4.852 4.731 ( 0.000 5.270 0.000) 5.270 4.757 ( 0.000 0.705 0.000) 0.705 4.802 ( 0.000 -0.097 0.000) 0.097 5.060 ( 0.000 8.202 0.000) 8.202 5.096 ( 0.000 1.388 0.000) 1.388 5.205 ( 0.000 0.256 0.000) 0.256 5.226 ( 0.000 1.249 0.000) 1.249 5.345 ( 0.000 6.676 0.000) 6.676 5.363 ( 0.000 6.609 0.000) 6.609 5.419 ( 0.000 5.689 0.000) 5.689 5.498 ( 0.000 10.855 0.000) 10.855 5.570 ( 0.000 -3.842 0.000) 3.842 5.655 ( 0.000 -0.370 0.000) 0.370 5.726 ( 0.000 -7.500 0.000) 7.500 5.848 ( 0.000 -17.812 0.000) 17.812 6.217 ( 0.000 8.086 0.000) 8.086 6.225 ( 0.000 -2.955 0.000) 2.955 6.241 ( 0.000 6.935 0.000) 6.935 6.456 ( 0.000 -11.575 0.000) 11.575 6.562 ( 0.000 -1.015 0.000) 1.015 6.639 ( 0.000 -8.878 0.000) 8.878 6.721 ( 0.000 1.374 0.000) 1.374 6.861 ( 0.000 -10.167 0.000) 10.167 7.061 ( 0.000 -0.317 0.000) 0.317 7.102 ( 0.000 -3.338 0.000) 3.338 7.309 ( 0.000 5.530 0.000) 5.530 7.324 ( 0.000 4.480 0.000) 4.480 7.419 ( 0.000 3.676 0.000) 3.676 7.422 ( 0.000 0.347 0.000) 0.347 7.511 ( 0.000 -1.912 0.000) 1.912 7.555 ( 0.000 -2.530 0.000) 2.530 7.719 ( 0.000 2.575 0.000) 2.575 7.723 ( 0.000 2.953 0.000) 2.953 7.932 ( 0.000 2.742 0.000) 2.742 7.983 ( 0.000 -3.239 0.000) 3.239 8.025 ( 0.000 3.481 0.000) 3.481 8.094 ( 0.000 -2.995 0.000) 2.995 8.100 ( 0.000 6.936 0.000) 6.936 8.241 ( 0.000 -6.704 0.000) 6.704 8.472 ( 0.000 8.483 0.000) 8.483 8.501 ( 0.000 6.657 0.000) 6.657 8.623 ( 0.000 -2.998 0.000) 2.998 8.654 ( 0.000 -7.792 0.000) 7.792 8.720 ( 0.000 -3.407 0.000) 3.407 8.784 ( 0.000 -4.693 0.000) 4.693 9.192 ( 0.000 1.849 0.000) 1.849 9.206 ( 0.000 2.012 0.000) 2.012 9.241 ( 0.000 -0.078 0.000) 0.078 9.253 ( 0.000 0.131 0.000) 0.131 9.308 ( 0.000 -3.744 0.000) 3.744 9.320 ( 0.000 -4.233 0.000) 4.233 9.740 ( 0.000 4.510 0.000) 4.510 9.771 ( 0.000 -0.269 0.000) 0.269 9.855 ( 0.000 1.713 0.000) 1.713 9.860 ( 0.000 1.434 0.000) 1.434 9.975 ( 0.000 3.806 0.000) 3.806 10.018 ( 0.000 1.945 0.000) 1.945 10.061 ( 0.000 0.633 0.000) 0.633 10.096 ( 0.000 -7.749 0.000) 7.749 10.119 ( 0.000 3.093 0.000) 3.093 10.186 ( 0.000 -2.750 0.000) 2.750 10.270 ( 0.000 3.943 0.000) 3.943 10.357 ( 0.000 6.779 0.000) 6.779 10.387 ( 0.000 0.078 0.000) 0.078 10.598 ( 0.000 -1.969 0.000) 1.969 10.648 ( 0.000 0.040 0.000) 0.040 10.655 ( 0.000 -7.636 0.000) 7.636 10.871 ( 0.000 16.201 0.000) 16.201 11.028 ( 0.000 7.106 0.000) 7.106 11.049 ( 0.000 6.366 0.000) 6.366 11.103 ( 0.000 4.131 0.000) 4.131 11.122 ( 0.000 0.561 0.000) 0.561 11.259 ( 0.000 -8.433 0.000) 8.433 11.283 ( 0.000 -7.685 0.000) 7.685 11.318 ( 0.000 -2.659 0.000) 2.659 11.434 ( 0.000 -2.800 0.000) 2.800 11.467 ( 0.000 -7.112 0.000) 7.112 11.592 ( 0.000 3.611 0.000) 3.611 11.628 ( 0.000 -1.616 0.000) 1.616 11.753 ( 0.000 1.317 0.000) 1.317 11.801 ( 0.000 -3.314 0.000) 3.314 11.920 ( 0.000 -0.393 0.000) 0.393 11.921 ( 0.000 -0.669 0.000) 0.669 12.203 ( 0.000 3.124 0.000) 3.124 12.263 ( 0.000 -1.593 0.000) 1.593 12.313 ( 0.000 -1.831 0.000) 1.831 12.336 ( 0.000 0.536 0.000) 0.536 12.447 ( 0.000 5.070 0.000) 5.070 12.471 ( 0.000 -0.204 0.000) 0.204 12.522 ( 0.000 1.981 0.000) 1.981 12.770 ( 0.000 -16.460 0.000) 16.460 12.943 ( 0.000 1.672 0.000) 1.672 13.018 ( 0.000 -5.900 0.000) 5.900 13.186 ( 0.000 9.011 0.000) 9.011 13.346 ( 0.000 -5.997 0.000) 5.997 13.422 ( 0.000 9.432 0.000) 9.432 13.549 ( 0.000 -2.533 0.000) 2.533 13.737 ( 0.000 4.577 0.000) 4.577 13.833 ( 0.000 -6.277 0.000) 6.277 14.111 ( 0.000 -1.696 0.000) 1.696 14.115 ( 0.000 -1.782 0.000) 1.782 14.367 ( 0.000 0.953 0.000) 0.953 14.409 ( 0.000 -2.302 0.000) 2.302 14.588 ( 0.000 6.811 0.000) 6.811 14.716 ( 0.000 -6.464 0.000) 6.464 14.900 ( 0.000 6.625 0.000) 6.625 15.052 ( 0.000 -8.733 0.000) 8.733 15.433 ( 0.000 1.003 0.000) 1.003 15.443 ( 0.000 2.462 0.000) 2.462 15.632 ( 0.000 10.106 0.000) 10.106 15.851 ( 0.000 -10.519 0.000) 10.519 16.038 ( 0.000 6.001 0.000) 6.001 16.096 ( 0.000 0.899 0.000) 0.899 16.442 ( 0.000 6.372 0.000) 6.372 16.557 ( 0.000 -4.893 0.000) 4.893 17.380 ( 0.000 2.529 0.000) 2.529 17.454 ( 0.000 -4.939 0.000) 4.939 17.829 ( 0.000 0.449 0.000) 0.449 17.836 ( 0.000 -0.183 0.000) 0.183 20.790 ( 0.000 2.988 0.000) 2.988 20.857 ( 0.000 -3.701 0.000) 3.701 20.959 ( 0.000 2.416 0.000) 2.416 21.019 ( 0.000 -3.716 0.000) 3.716 21.811 ( 0.000 5.447 0.000) 5.447 21.905 ( 0.000 -4.018 0.000) 4.018 22.139 ( 0.000 4.485 0.000) 4.485 22.207 ( 0.000 -2.108 0.000) 2.108 22.581 ( 0.000 5.021 0.000) 5.021 22.659 ( 0.000 -3.152 0.000) 3.152 22.926 ( 0.000 1.248 0.000) 1.248 22.937 ( 0.000 1.253 0.000) 1.253 23.158 ( 0.000 -2.432 0.000) 2.432 23.162 ( 0.000 -2.354 0.000) 2.354 23.648 ( 0.000 3.604 0.000) 3.604 23.702 ( 0.000 -1.518 0.000) 1.518 24.058 ( 0.000 -1.918 0.000) 1.918 24.070 ( 0.000 -2.942 0.000) 2.942 24.179 ( 0.000 2.763 0.000) 2.763 24.251 ( 0.000 -5.351 0.000) 5.351 24.742 ( 0.000 10.016 0.000) 10.016 24.924 ( 0.000 -8.754 0.000) 8.754 25.955 ( 0.000 15.840 0.000) 15.840 26.205 ( 0.000 -9.368 0.000) 9.368 26.454 ( 0.000 0.530 0.000) 0.530 26.465 ( 0.000 -0.609 0.000) 0.609 26.507 ( 0.000 1.190 0.000) 1.190 26.556 ( 0.000 -4.325 0.000) 4.325 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 13.987 21.614 -4.401) 26.118 1.607 ( 12.349 15.134 3.264) 19.804 1.900 ( 4.707 0.013 -6.708) 8.195 2.009 ( 15.148 -4.287 8.116) 17.712 2.230 ( 7.778 -14.559 3.602) 16.894 2.305 ( 11.667 -15.837 3.216) 19.932 2.654 ( -1.948 5.582 2.705) 6.502 2.749 ( -0.610 5.820 1.154) 5.964 2.813 ( 0.273 21.091 4.075) 21.482 2.946 ( -3.755 1.757 0.828) 4.227 2.964 ( 3.866 1.588 -0.959) 4.288 3.094 ( 2.180 -3.451 -7.711) 8.725 3.271 ( 8.918 3.561 1.386) 9.702 3.330 ( 4.255 9.369 0.848) 10.325 3.381 ( 5.220 1.293 1.836) 5.683 3.432 ( 5.592 5.377 1.883) 7.983 3.481 ( 5.124 3.920 3.053) 7.138 3.532 ( 0.093 -4.281 -0.249) 4.289 3.607 ( 6.408 -7.575 4.646) 10.956 3.841 ( -4.785 -5.034 -1.003) 7.017 3.982 ( -5.015 4.759 -3.099) 7.576 4.021 ( -7.725 4.017 -5.856) 10.493 4.114 ( -1.994 2.412 -5.751) 6.547 4.192 ( 4.599 6.002 0.048) 7.561 4.232 ( -4.410 -4.849 -2.984) 7.202 4.284 ( -1.511 1.503 1.750) 2.757 4.327 ( -1.960 -4.772 1.374) 5.339 4.369 ( 0.640 -4.304 -0.474) 4.377 4.394 ( 2.713 -4.242 1.803) 5.349 4.470 ( 0.127 -19.477 2.063) 19.587 4.631 ( -0.676 -0.289 -1.359) 1.545 4.645 ( 4.759 -9.630 -0.689) 10.764 4.659 ( 2.048 4.118 1.670) 4.893 4.739 ( 9.625 -4.264 -2.916) 10.924 4.843 ( 1.184 4.350 4.320) 6.245 4.902 ( 1.944 -2.312 4.049) 5.052 5.043 ( -0.650 2.087 -1.047) 2.424 5.097 ( 9.419 -0.416 -2.731) 9.816 5.223 ( -2.219 14.693 3.021) 15.164 5.249 ( 2.985 5.809 -1.864) 6.792 5.386 ( 1.819 -0.467 -0.622) 1.978 5.450 ( 7.590 2.173 -2.106) 8.171 5.493 ( 6.657 5.133 -7.109) 11.009 5.543 ( 5.187 5.111 5.416) 9.076 5.593 ( 2.313 -6.329 3.222) 7.469 5.689 ( 3.632 2.442 3.524) 5.619 5.836 ( 7.583 -6.954 4.335) 11.165 5.911 ( 6.491 -10.758 -0.643) 12.582 6.095 ( -2.351 0.458 -1.797) 2.994 6.191 ( -4.066 -1.923 -3.091) 5.458 6.217 ( -3.913 9.047 -4.604) 10.879 6.371 ( -3.528 -3.916 -0.392) 5.285 6.571 ( -4.093 -1.815 1.947) 4.883 6.665 ( 0.304 -8.977 -2.822) 9.415 6.733 ( 2.106 0.574 0.086) 2.184 6.792 ( -3.396 -6.083 -3.684) 7.881 6.968 ( -6.438 1.048 -1.544) 6.703 7.023 ( -6.445 -3.164 -5.102) 8.808 7.256 ( -7.574 3.775 7.465) 11.285 7.306 ( -9.240 -0.719 1.402) 9.373 7.356 ( -4.424 2.602 -8.214) 9.685 7.384 ( 0.366 -1.608 -5.968) 6.192 7.473 ( -0.409 6.284 2.026) 6.615 7.552 ( -1.986 1.715 1.726) 3.140 7.699 ( -4.814 -1.667 4.942) 7.098 7.743 ( -13.309 0.425 3.605) 13.796 7.844 ( -3.940 -0.868 7.899) 8.870 7.863 ( 4.200 -3.442 -0.229) 5.435 8.051 ( 6.868 5.116 -4.616) 9.729 8.128 ( 2.218 -1.567 -5.051) 5.735 8.251 ( 8.127 4.595 -1.114) 9.402 8.339 ( 4.914 -3.173 3.431) 6.781 8.436 ( -3.721 5.325 1.678) 6.709 8.529 ( -0.189 4.251 3.743) 5.667 8.586 ( -3.942 -5.273 0.178) 6.586 8.655 ( 2.136 -1.875 -0.820) 2.958 8.715 ( -1.065 0.813 2.018) 2.422 8.814 ( 2.388 -4.386 -3.115) 5.886 8.982 ( -9.769 5.118 -9.605) 14.625 9.099 ( -8.548 -4.544 -8.744) 13.045 9.161 ( -6.389 -0.763 -1.379) 6.581 9.194 ( -4.040 -3.120 -3.441) 6.156 9.353 ( 2.726 -0.360 4.874) 5.596 9.366 ( 2.742 -1.378 7.644) 8.237 9.668 ( -4.682 8.924 4.207) 10.921 9.731 ( -3.317 2.543 1.680) 4.505 9.776 ( -4.555 1.505 3.343) 5.847 9.847 ( 0.285 -3.413 4.783) 5.883 9.956 ( -3.346 7.662 -0.740) 8.394 10.000 ( -1.236 2.653 -0.595) 2.987 10.043 ( -2.857 -4.132 0.026) 5.023 10.103 ( 1.236 -6.259 -2.014) 6.690 10.213 ( -3.019 2.113 -2.089) 4.235 10.233 ( 2.058 4.882 1.654) 5.550 10.280 ( 0.061 -2.948 -2.386) 3.793 10.371 ( 1.977 1.726 1.885) 3.231 10.395 ( 3.407 -0.490 -3.153) 4.668 10.506 ( -4.237 -2.179 -2.784) 5.518 10.585 ( -1.647 5.829 -1.325) 6.200 10.763 ( 5.948 -12.531 0.425) 13.878 10.872 ( -0.727 9.255 -5.415) 10.747 10.926 ( -7.149 11.041 3.007) 13.493 11.012 ( -3.010 5.081 -2.321) 6.346 11.040 ( -5.003 1.901 3.586) 6.443 11.111 ( 0.547 0.628 -0.950) 1.263 11.198 ( -3.163 -3.531 -2.370) 5.300 11.282 ( 0.551 -3.359 -3.633) 4.978 11.328 ( 2.208 -6.499 -0.656) 6.895 11.401 ( 0.224 1.857 5.720) 6.018 11.501 ( 0.058 -5.334 2.862) 6.053 11.640 ( 0.087 2.414 2.029) 3.155 11.735 ( -1.154 -6.150 4.967) 7.989 11.870 ( 10.759 1.686 -0.440) 10.899 11.912 ( 4.500 -1.585 -2.511) 5.392 11.973 ( 7.424 0.922 -2.310) 7.830 12.033 ( 7.476 -3.432 -1.531) 8.367 12.227 ( 3.460 2.028 3.232) 5.151 12.250 ( 2.055 -0.621 -0.861) 2.313 12.340 ( 3.913 5.372 -0.722) 6.685 12.424 ( 5.819 -3.059 5.331) 8.464 12.494 ( 4.712 1.351 2.223) 5.382 12.513 ( 5.206 0.414 0.782) 5.281 12.646 ( 9.700 -2.913 -1.681) 10.267 12.736 ( -0.067 -11.604 -3.963) 12.262 12.908 ( -0.726 1.116 -3.217) 3.482 12.973 ( -0.833 -4.926 -2.478) 5.577 13.234 ( 3.193 4.273 -3.450) 6.353 13.323 ( 0.034 -2.615 -5.239) 5.855 13.498 ( 4.486 8.729 3.731) 10.500 13.605 ( 7.695 -1.401 -4.758) 9.155 13.860 ( 3.505 -1.570 -1.046) 3.980 13.921 ( 8.981 -6.672 8.143) 13.838 14.118 ( 2.898 3.132 5.718) 7.135 14.186 ( 1.875 -3.160 6.167) 7.178 14.337 ( -2.161 0.627 1.350) 2.624 14.369 ( -0.045 -1.658 0.177) 1.668 14.682 ( 5.313 3.238 3.263) 7.026 14.759 ( 3.100 -3.375 0.527) 4.613 14.854 ( -1.442 5.012 -7.658) 9.265 15.015 ( 0.329 -10.182 -12.814) 16.370 15.395 ( -3.475 2.012 1.425) 4.261 15.417 ( -4.805 0.732 7.261) 8.738 15.646 ( 0.714 10.707 1.434) 10.826 15.860 ( 0.899 -8.676 -2.312) 9.024 16.001 ( -4.071 3.463 2.265) 5.805 16.038 ( -4.854 1.171 -2.023) 5.387 16.455 ( 1.103 5.971 0.175) 6.074 16.564 ( 0.270 -4.844 1.116) 4.978 17.332 ( -4.955 2.564 1.516) 5.781 17.407 ( -4.810 -4.993 1.337) 7.061 17.750 ( -7.216 0.713 -1.473) 7.399 17.756 ( -6.840 0.015 -0.462) 6.856 20.821 ( 1.955 3.356 1.041) 4.021 20.879 ( 0.816 -0.596 3.076) 3.238 20.980 ( 2.827 -1.456 -6.122) 6.899 21.033 ( 3.866 -5.247 -3.197) 7.259 21.822 ( 1.149 5.839 -0.387) 5.963 21.921 ( 1.631 -4.307 -0.540) 4.637 22.177 ( 2.866 4.652 1.735) 5.732 22.243 ( 2.833 -1.746 2.039) 3.903 22.630 ( 4.247 6.276 0.078) 7.578 22.705 ( 3.279 -1.379 0.659) 3.618 22.868 ( -4.255 2.004 -3.577) 5.909 22.905 ( -2.822 -0.807 3.182) 4.328 23.168 ( 0.136 -2.174 3.270) 3.929 23.180 ( 1.397 -2.975 1.059) 3.453 23.624 ( -1.495 3.991 -2.486) 4.934 23.698 ( -0.371 -3.111 -1.645) 3.539 24.063 ( 0.658 -0.307 -1.853) 1.990 24.083 ( 1.342 -2.218 0.549) 2.650 24.203 ( 3.442 1.386 -2.117) 4.272 24.244 ( 0.968 -3.307 -2.937) 4.528 24.575 ( -15.187 12.236 5.947) 20.390 24.784 ( -12.446 -9.675 -0.183) 15.765 25.841 ( -11.964 13.171 2.392) 17.954 26.016 ( -15.889 -4.255 0.992) 16.479 26.488 ( 2.914 0.921 0.091) 3.057 26.511 ( 3.030 -1.247 0.052) 3.277 26.551 ( 4.727 2.126 -0.296) 5.191 26.631 ( 5.729 -6.183 -1.198) 8.514 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 16.180 9.742 -4.375) 19.387 1.889 ( 11.674 -1.164 -0.058) 11.732 2.039 ( 14.631 16.317 4.708) 22.416 2.327 ( 12.571 -8.820 -0.613) 15.369 2.390 ( 3.687 -3.718 2.832) 5.953 2.435 ( -3.081 -2.681 -3.129) 5.145 2.606 ( -3.818 0.161 4.591) 5.973 2.680 ( -1.136 -5.714 1.703) 6.070 2.873 ( -1.008 5.258 0.142) 5.356 2.954 ( 0.740 -1.396 2.758) 3.178 3.058 ( 5.016 2.480 4.881) 7.425 3.105 ( 6.410 -2.255 -5.998) 9.064 3.342 ( 3.223 3.883 -4.322) 6.645 3.428 ( 0.994 -1.315 -0.783) 1.825 3.484 ( -1.036 -2.361 -3.901) 4.676 3.521 ( 0.180 -1.990 -1.966) 2.803 3.634 ( 3.666 8.198 -3.591) 9.672 3.637 ( 1.340 7.049 3.044) 7.794 3.683 ( -3.857 -2.289 -2.682) 5.226 3.767 ( -0.178 1.800 -0.064) 1.810 3.815 ( 1.261 -1.953 2.386) 3.331 3.873 ( -0.093 -4.275 -1.936) 4.694 4.011 ( -0.832 4.772 -4.596) 6.677 4.080 ( -4.367 -1.524 -1.230) 4.786 4.196 ( -2.340 1.885 1.643) 3.425 4.248 ( -2.361 -2.954 3.725) 5.308 4.382 ( 5.822 4.126 2.639) 7.608 4.449 ( 5.472 4.991 0.743) 7.443 4.468 ( 5.033 -2.472 2.368) 6.087 4.571 ( 4.969 1.832 -0.538) 5.323 4.626 ( 0.772 4.445 4.193) 6.159 4.713 ( -0.081 -1.595 2.298) 2.798 4.766 ( 3.966 -7.517 2.724) 8.925 4.802 ( -0.091 -0.257 2.226) 2.243 4.960 ( 6.206 -3.828 -3.845) 8.244 4.979 ( 10.102 -7.277 -0.765) 12.474 5.120 ( 4.900 -1.783 3.127) 6.080 5.176 ( -0.415 -0.894 0.898) 1.334 5.204 ( 2.441 14.925 0.604) 15.136 5.364 ( 4.567 -2.877 -2.459) 5.931 5.421 ( 4.374 7.855 -0.258) 8.994 5.500 ( 2.758 3.387 -4.281) 6.116 5.624 ( 6.147 -7.919 1.665) 10.162 5.626 ( 5.290 -6.641 -0.301) 8.496 5.734 ( 3.384 4.721 2.401) 6.285 5.850 ( 2.316 -0.182 3.964) 4.595 5.956 ( 6.581 2.165 -2.452) 7.349 6.037 ( 4.378 0.236 -3.594) 5.669 6.091 ( 4.536 2.582 -4.127) 6.654 6.185 ( 8.807 -5.440 3.176) 10.828 6.261 ( 8.589 6.401 -0.679) 10.734 6.319 ( 2.183 0.968 -1.320) 2.728 6.462 ( -7.973 -4.222 -4.987) 10.308 6.561 ( -4.411 -3.019 -2.015) 5.713 6.629 ( -12.394 -1.782 -1.428) 12.602 6.672 ( -8.781 -7.352 -3.683) 12.030 6.882 ( 2.920 3.328 -3.492) 5.639 6.950 ( -1.013 -2.121 -4.414) 5.001 7.067 ( -9.472 5.481 1.363) 11.028 7.162 ( -8.237 -1.205 1.357) 8.434 7.215 ( -5.381 2.676 0.180) 6.012 7.282 ( -7.908 -2.234 4.527) 9.382 7.375 ( -10.075 5.503 0.588) 11.495 7.456 ( -12.130 -0.521 4.442) 12.928 7.512 ( -11.956 4.659 7.462) 14.844 7.668 ( -4.184 -9.179 2.027) 10.290 7.793 ( -5.336 4.697 2.157) 7.429 7.861 ( -3.094 -1.378 -1.292) 3.624 8.146 ( 4.629 2.340 -4.781) 7.054 8.202 ( 1.563 -2.566 -4.653) 5.539 8.354 ( 8.568 0.061 -2.651) 8.969 8.382 ( 4.797 1.722 -0.353) 5.109 8.449 ( -1.995 -1.014 0.243) 2.251 8.485 ( 1.866 -1.944 3.390) 4.331 8.608 ( -3.718 1.390 -3.290) 5.156 8.636 ( 2.943 0.621 0.428) 3.038 8.749 ( 4.058 3.401 -0.182) 5.298 8.838 ( -4.423 0.083 -5.318) 6.918 8.853 ( 3.552 -6.841 0.095) 7.709 8.932 ( -0.552 -6.960 -1.185) 7.082 9.042 ( -4.608 1.872 -1.228) 5.123 9.099 ( -4.357 -4.160 -0.571) 6.051 9.402 ( -0.405 0.514 -1.871) 1.982 9.405 ( -1.406 0.614 -0.076) 1.536 9.649 ( 0.061 6.503 5.440) 8.479 9.708 ( -1.463 1.910 4.528) 5.127 9.764 ( -3.101 2.880 2.970) 5.170 9.820 ( -5.261 1.487 1.455) 5.657 9.863 ( -4.493 2.592 1.806) 5.493 9.939 ( -8.231 -2.494 1.763) 8.779 9.958 ( 0.367 1.642 -2.863) 3.321 10.043 ( -3.306 -1.800 -2.752) 4.663 10.156 ( -0.352 -1.406 -1.605) 2.163 10.203 ( -3.357 -4.993 -1.406) 6.179 10.333 ( 4.073 5.253 5.692) 8.751 10.408 ( 0.610 3.039 -0.914) 3.232 10.417 ( -0.428 -1.155 -0.391) 1.292 10.487 ( 2.786 -6.062 1.400) 6.817 10.624 ( 5.026 11.775 -2.840) 13.114 10.775 ( -4.706 4.563 0.099) 6.555 10.806 ( 0.648 -2.467 -1.187) 2.814 10.858 ( -1.508 0.759 -2.087) 2.685 10.873 ( -6.113 2.467 -6.420) 9.201 11.004 ( -5.375 -4.103 0.206) 6.765 11.090 ( 1.653 8.008 4.259) 9.220 11.198 ( 1.512 -3.442 -2.295) 4.404 11.305 ( 3.168 0.760 -1.247) 3.489 11.384 ( 2.965 -0.364 -1.522) 3.352 11.474 ( 1.377 -2.014 7.274) 7.673 11.528 ( 0.989 -2.106 1.979) 3.055 11.566 ( -6.707 -1.163 1.759) 7.031 11.676 ( -5.315 -6.885 5.177) 10.122 11.851 ( -5.238 6.562 -5.284) 9.920 11.998 ( 0.442 -8.312 -4.937) 9.678 12.089 ( 6.473 2.032 2.293) 7.162 12.143 ( 5.910 -2.983 -0.947) 6.688 12.307 ( 3.695 4.347 -2.973) 6.434 12.427 ( 6.840 -3.562 3.122) 8.320 12.428 ( 6.192 3.513 0.159) 7.121 12.554 ( 3.415 -3.386 2.040) 5.223 12.613 ( 4.983 -2.057 1.987) 5.746 12.651 ( 10.296 -6.334 -1.127) 12.141 12.783 ( 4.731 2.835 2.380) 6.007 12.833 ( 7.521 -2.402 3.963) 8.834 12.926 ( 4.595 2.554 -4.083) 6.656 13.014 ( 7.704 -5.841 -4.571) 10.694 13.254 ( 1.415 0.746 -1.620) 2.276 13.284 ( -1.305 -1.149 -2.199) 2.803 13.597 ( 4.289 10.364 -0.871) 11.250 13.748 ( 7.823 1.039 -4.867) 9.272 13.892 ( 2.301 -2.405 -4.394) 5.512 14.034 ( -0.113 -8.853 1.425) 8.967 14.167 ( -2.014 2.174 3.881) 4.883 14.214 ( -0.231 -1.703 0.498) 1.789 14.467 ( 9.312 4.244 9.353) 13.864 14.524 ( 10.787 -0.870 2.075) 11.019 14.730 ( -3.122 5.656 -6.850) 9.415 14.765 ( -0.294 0.665 5.612) 5.659 14.815 ( 0.415 -6.401 -0.262) 6.419 14.963 ( 3.731 -12.131 -6.531) 14.273 15.338 ( -3.273 3.567 2.319) 5.368 15.378 ( -3.101 0.337 5.199) 6.063 15.656 ( -0.158 10.412 -3.039) 10.847 15.796 ( -4.980 0.206 -6.798) 8.430 15.907 ( -6.431 2.027 2.200) 7.092 15.970 ( -1.013 -7.193 3.255) 7.960 16.477 ( 1.005 5.117 -0.373) 5.228 16.575 ( 0.068 -4.669 0.633) 4.712 17.235 ( -5.423 2.624 2.112) 6.384 17.311 ( -5.367 -5.115 1.798) 7.629 17.580 ( -8.108 1.102 -1.691) 8.355 17.594 ( -8.309 -0.449 -0.729) 8.353 20.845 ( 0.595 3.254 -0.765) 3.395 20.921 ( 0.573 -3.232 1.984) 3.835 20.989 ( 3.089 3.195 -4.786) 6.531 21.115 ( 5.120 -8.864 -2.784) 10.608 21.848 ( 1.784 6.270 -0.684) 6.554 21.952 ( 1.773 -4.460 -0.765) 4.860 22.252 ( 3.282 6.042 1.484) 7.034 22.330 ( 4.027 -1.583 2.783) 5.145 22.642 ( -3.271 6.010 -3.926) 7.888 22.707 ( -3.826 0.302 -6.909) 7.904 22.823 ( 3.273 7.318 6.246) 10.163 22.951 ( 4.787 -2.054 3.484) 6.266 23.200 ( 0.438 -3.219 4.822) 5.814 23.234 ( 2.801 -4.804 2.668) 6.168 23.566 ( -2.967 2.150 -0.944) 3.784 23.653 ( -2.476 -5.550 -3.592) 7.060 24.042 ( -1.193 1.195 -4.105) 4.439 24.074 ( -2.734 -2.107 -2.508) 4.267 24.288 ( 0.996 4.122 -2.499) 4.922 24.298 ( 8.511 2.108 -1.934) 8.979 24.391 ( -2.792 4.213 7.578) 9.109 24.536 ( -11.687 -9.034 4.452) 15.428 25.557 ( -17.360 9.930 2.119) 20.111 25.675 ( -18.426 -2.140 0.218) 18.551 26.551 ( 3.129 0.741 0.147) 3.219 26.572 ( 2.939 -1.286 0.031) 3.208 26.647 ( 4.483 2.410 -0.087) 5.090 26.723 ( 4.153 -5.252 -0.975) 6.766 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 5.066 10.061 -1.324) 11.342 2.082 ( 5.482 -3.931 0.780) 6.791 2.265 ( 0.908 4.658 -5.863) 7.543 2.306 ( -5.271 -0.348 2.120) 5.692 2.424 ( 6.213 2.312 3.007) 7.279 2.527 ( 3.837 -6.946 -1.594) 8.094 2.642 ( 5.799 2.390 2.525) 6.761 2.730 ( 3.605 -5.634 3.464) 7.532 2.869 ( 2.336 4.410 3.459) 6.072 2.973 ( -0.850 -6.154 3.076) 6.932 3.139 ( -4.443 5.975 -2.446) 7.838 3.163 ( 0.237 4.484 -2.822) 5.304 3.333 ( -8.762 -2.976 -5.893) 10.970 3.340 ( 0.413 0.931 0.047) 1.020 3.379 ( -3.912 -3.535 -1.855) 5.589 3.433 ( 2.108 -1.435 -1.448) 2.932 3.514 ( 4.264 -1.159 -5.169) 6.800 3.549 ( -0.626 -4.311 -6.166) 7.549 3.650 ( -7.161 0.754 -2.759) 7.711 3.668 ( -7.585 -1.165 -3.165) 8.301 3.926 ( 1.809 0.528 3.734) 4.182 3.962 ( 1.967 -2.223 2.821) 4.095 4.055 ( 3.341 0.688 3.522) 4.903 4.079 ( 1.715 -2.132 0.783) 2.846 4.221 ( 0.570 5.456 2.823) 6.170 4.354 ( 7.256 -8.104 3.585) 11.453 4.484 ( 0.426 2.035 2.658) 3.375 4.504 ( 2.169 0.667 0.193) 2.277 4.611 ( 1.916 3.206 0.195) 3.740 4.615 ( 0.480 1.459 2.553) 2.979 4.662 ( 3.062 3.104 -1.021) 4.478 4.717 ( -2.091 -3.181 -3.521) 5.185 4.857 ( 5.095 9.507 1.579) 10.901 4.868 ( 3.397 7.004 5.895) 9.765 4.975 ( 0.965 11.811 -3.225) 12.281 5.116 ( 0.632 -1.303 -0.092) 1.451 5.171 ( 2.992 -0.426 3.303) 4.476 5.234 ( 4.090 -8.681 0.046) 9.596 5.410 ( 10.666 -2.033 3.893) 11.534 5.445 ( 2.866 -1.363 1.207) 3.395 5.489 ( 3.265 9.249 1.404) 9.908 5.570 ( 7.112 1.454 -4.848) 8.729 5.635 ( -0.646 -3.684 -0.658) 3.798 5.702 ( -1.933 -6.012 4.768) 7.913 5.749 ( -0.569 2.628 -2.213) 3.482 5.870 ( -2.339 -5.189 -1.176) 5.812 5.931 ( 1.770 4.835 -3.981) 6.509 6.029 ( -10.912 -2.670 -6.549) 13.004 6.159 ( -4.642 5.327 -2.511) 7.499 6.251 ( -0.390 -2.393 -1.666) 2.941 6.327 ( 4.276 6.018 0.748) 7.420 6.396 ( 9.337 2.796 -8.043) 12.637 6.457 ( -4.030 1.498 2.182) 4.822 6.488 ( 1.605 -5.018 6.398) 8.288 6.608 ( 13.279 -2.346 -1.035) 13.524 6.664 ( 14.688 -7.947 -1.296) 16.750 6.801 ( -7.651 6.847 0.662) 10.289 6.907 ( -4.936 1.414 -0.253) 5.141 6.958 ( -10.050 3.967 2.318) 11.051 7.058 ( 0.443 1.452 -5.341) 5.552 7.089 ( -7.849 -2.381 3.527) 8.929 7.111 ( -4.863 5.555 1.372) 7.509 7.168 ( -15.902 5.736 3.741) 17.314 7.310 ( -0.336 -4.440 2.280) 5.002 7.357 ( -4.965 1.348 0.907) 5.224 7.536 ( -6.820 -14.082 -0.291) 15.650 7.721 ( -1.619 4.522 0.317) 4.813 7.800 ( -2.131 -2.176 -0.048) 3.046 8.153 ( 0.420 -1.305 -1.571) 2.085 8.203 ( -0.085 -5.351 -0.972) 5.439 8.405 ( 1.422 2.569 -1.036) 3.114 8.449 ( -0.804 -0.269 -2.676) 2.807 8.481 ( 2.062 4.942 -1.939) 5.695 8.542 ( 1.466 2.673 -0.054) 3.049 8.618 ( 7.858 -7.526 -2.656) 11.200 8.651 ( -0.770 -7.217 0.537) 7.278 8.766 ( -0.999 3.657 2.019) 4.295 8.831 ( 0.814 -0.434 1.554) 1.807 8.924 ( 1.770 -2.888 -1.592) 3.743 8.948 ( 0.329 -3.364 -3.347) 4.757 8.988 ( 1.219 1.985 1.949) 3.037 9.045 ( -1.811 -3.268 2.736) 4.630 9.349 ( -2.146 1.220 -1.094) 2.700 9.370 ( -0.524 -0.578 -0.719) 1.061 9.612 ( -3.167 6.414 -1.602) 7.330 9.678 ( -7.220 -1.873 0.753) 7.497 9.724 ( 1.210 3.549 3.462) 5.103 9.766 ( -0.099 -0.407 2.532) 2.567 9.802 ( -2.338 0.490 -1.392) 2.765 9.851 ( -2.324 0.632 2.638) 3.572 9.972 ( 1.842 4.677 -1.873) 5.364 10.010 ( 0.891 4.089 -2.453) 4.850 10.110 ( -3.015 -4.564 0.560) 5.498 10.163 ( -0.156 -5.141 -0.330) 5.154 10.384 ( -0.630 3.174 -2.345) 3.996 10.406 ( 0.148 2.119 -0.529) 2.189 10.473 ( 3.999 3.714 7.545) 9.312 10.548 ( -0.460 -3.352 3.352) 4.763 10.666 ( 2.171 6.204 -4.299) 7.855 10.702 ( -2.899 0.908 -1.639) 3.452 10.749 ( -2.203 3.288 0.647) 4.011 10.793 ( -2.206 1.228 -6.376) 6.858 10.848 ( 2.143 -0.302 0.887) 2.339 10.967 ( 0.360 -6.395 3.286) 7.199 11.147 ( 2.361 7.830 0.249) 8.182 11.221 ( 2.872 -3.850 -0.194) 4.808 11.333 ( -5.370 -0.588 -3.679) 6.536 11.377 ( 3.043 3.271 -0.064) 4.468 11.402 ( -4.988 -2.706 -0.145) 5.676 11.523 ( -1.228 -1.282 5.560) 5.836 11.594 ( -2.493 1.672 -3.249) 4.423 11.661 ( 4.126 -4.871 7.358) 9.741 11.761 ( -1.882 4.170 -1.129) 4.713 11.927 ( -2.257 -11.359 -5.047) 12.633 12.192 ( 1.397 1.520 4.225) 4.703 12.220 ( 2.386 -2.252 -0.764) 3.368 12.339 ( 1.734 5.489 -3.323) 6.646 12.457 ( -0.275 -0.768 -0.791) 1.136 12.540 ( 3.326 -6.491 0.343) 7.302 12.580 ( -0.028 -5.624 0.317) 5.633 12.760 ( 4.020 2.917 2.724) 5.665 12.812 ( 2.096 -2.775 -0.110) 3.480 12.900 ( 7.517 0.427 1.293) 7.639 12.928 ( 2.643 -1.590 -1.168) 3.298 13.043 ( 5.527 2.253 2.051) 6.311 13.118 ( 2.378 -4.428 -1.875) 5.364 13.250 ( -0.698 2.275 -0.570) 2.447 13.283 ( 1.140 0.115 0.165) 1.157 13.619 ( -1.292 12.992 -1.337) 13.124 13.807 ( 3.591 10.740 -3.532) 11.862 13.917 ( -2.073 -16.263 -0.988) 16.425 14.012 ( 2.689 -7.519 -2.198) 8.283 14.198 ( 2.667 1.125 3.695) 4.694 14.246 ( 1.122 -4.122 1.874) 4.665 14.479 ( -3.869 3.996 -1.984) 5.906 14.536 ( -5.463 -0.210 -9.479) 10.943 14.771 ( 1.913 0.497 4.288) 4.722 14.798 ( 0.826 1.150 6.045) 6.208 14.926 ( 8.142 2.688 2.405) 8.905 15.118 ( 10.862 -11.135 6.585) 16.892 15.265 ( -4.767 5.244 -2.877) 7.648 15.342 ( -3.908 -1.619 -0.561) 4.267 15.573 ( -3.891 9.479 -5.077) 11.435 15.659 ( -3.494 1.503 -2.042) 4.317 15.850 ( -1.419 3.433 2.473) 4.463 15.981 ( 0.177 -9.224 0.889) 9.268 16.486 ( 0.244 4.397 -0.359) 4.418 16.574 ( -0.179 -4.564 0.005) 4.567 17.169 ( -2.143 2.474 1.015) 3.427 17.241 ( -2.262 -5.049 0.809) 5.591 17.451 ( -3.489 0.937 -0.723) 3.685 17.465 ( -3.642 -0.565 -0.369) 3.704 20.848 ( 0.277 2.497 -0.619) 2.587 20.921 ( -0.124 -5.211 -0.609) 5.248 21.029 ( 1.652 5.927 -0.602) 6.183 21.173 ( 1.864 -9.201 -0.920) 9.433 21.874 ( 0.955 6.319 -0.387) 6.402 21.974 ( 0.777 -4.199 -0.375) 4.287 22.312 ( 1.722 8.735 0.767) 8.936 22.425 ( 3.626 -2.446 2.864) 5.228 22.538 ( -3.862 3.699 -2.934) 6.099 22.587 ( -3.249 0.654 -3.246) 4.639 22.932 ( 2.730 11.279 2.891) 11.960 23.054 ( 3.110 3.845 0.339) 4.956 23.247 ( 0.967 -7.498 4.115) 8.607 23.305 ( 2.708 -8.067 0.020) 8.509 23.514 ( -2.102 -1.196 1.574) 2.886 23.572 ( -2.723 -6.436 -2.556) 7.441 23.972 ( -1.874 0.561 -3.656) 4.146 23.996 ( -2.521 -1.666 -1.419) 3.338 24.232 ( -2.680 7.432 2.412) 8.260 24.370 ( -1.556 -7.106 -1.361) 7.401 24.500 ( 6.805 4.269 1.862) 8.246 24.553 ( 6.779 -1.488 2.338) 7.324 25.258 ( -11.496 8.392 0.707) 14.251 25.361 ( -11.087 -2.409 -0.455) 11.355 26.598 ( 1.349 0.450 0.051) 1.423 26.615 ( 1.206 -1.255 -0.001) 1.740 26.708 ( 1.654 2.403 -0.008) 2.917 26.775 ( 1.460 -4.270 -0.316) 4.524 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.468 0.000 35.995) 36.025 0.720 ( 3.163 0.000 36.551) 36.688 1.070 ( 4.012 0.000 47.482) 47.651 2.052 ( -5.899 0.000 -6.246) 8.591 2.341 ( 4.603 0.000 -20.865) 21.367 2.379 ( -2.950 0.000 -4.755) 5.596 2.596 ( 4.981 0.000 1.208) 5.126 2.686 ( 2.083 0.000 11.916) 12.097 2.718 ( 1.838 0.000 -1.504) 2.375 2.900 ( -2.448 0.000 4.935) 5.509 2.925 ( 0.631 0.000 -3.916) 3.967 3.156 ( -8.626 0.000 -1.026) 8.687 3.167 ( 1.806 0.000 -1.428) 2.302 3.279 ( -1.041 0.000 -6.746) 6.826 3.321 ( 8.834 0.000 4.645) 9.981 3.358 ( -8.061 0.000 0.526) 8.079 3.437 ( -0.128 0.000 1.172) 1.179 3.714 ( 0.065 0.000 -0.859) 0.861 3.733 ( -0.371 0.000 -3.085) 3.107 3.788 ( 2.682 0.000 -4.386) 5.142 3.885 ( -1.646 0.000 0.831) 1.844 3.991 ( -1.857 0.000 0.965) 2.093 4.019 ( -3.052 0.000 5.276) 6.095 4.125 ( -3.200 0.000 5.275) 6.170 4.133 ( -1.161 0.000 0.907) 1.473 4.272 ( -1.599 0.000 -1.803) 2.410 4.337 ( 6.160 0.000 2.312) 6.579 4.372 ( 7.916 0.000 -12.167) 14.515 4.428 ( -2.389 0.000 -4.971) 5.515 4.535 ( -3.647 0.000 -2.029) 4.173 4.538 ( 5.938 0.000 -1.161) 6.050 4.612 ( 3.547 0.000 -4.665) 5.861 4.638 ( 0.390 0.000 1.157) 1.221 4.696 ( -1.499 0.000 -4.287) 4.542 4.788 ( -0.938 0.000 3.195) 3.330 4.917 ( 6.666 0.000 2.715) 7.198 4.922 ( -9.804 0.000 -7.947) 12.620 5.112 ( 1.281 0.000 2.688) 2.978 5.197 ( -1.730 0.000 1.222) 2.118 5.226 ( 0.707 0.000 0.886) 1.133 5.328 ( -0.983 0.000 1.311) 1.638 5.418 ( -2.162 0.000 -3.598) 4.197 5.467 ( -4.049 0.000 3.016) 5.049 5.505 ( 0.206 0.000 3.840) 3.846 5.520 ( 4.967 0.000 -8.226) 9.609 5.885 ( -8.278 0.000 -0.889) 8.325 5.929 ( 0.542 0.000 -4.517) 4.550 5.953 ( 12.564 0.000 -7.962) 14.874 6.088 ( 2.583 0.000 -1.957) 3.240 6.269 ( -6.802 0.000 6.313) 9.280 6.422 ( -2.978 0.000 3.618) 4.686 6.508 ( 4.669 0.000 -0.701) 4.721 6.706 ( 4.084 0.000 -6.450) 7.634 6.842 ( 0.581 0.000 3.575) 3.622 6.905 ( -0.934 0.000 -2.194) 2.384 7.003 ( 2.527 0.000 8.145) 8.528 7.096 ( -10.064 0.000 5.142) 11.302 7.173 ( -2.968 0.000 -4.615) 5.488 7.177 ( 3.262 0.000 8.458) 9.065 7.297 ( 3.116 0.000 2.362) 3.910 7.329 ( -2.353 0.000 -4.439) 5.024 7.363 ( 3.463 0.000 0.221) 3.470 7.441 ( -3.152 0.000 4.816) 5.756 7.557 ( -9.049 0.000 -0.177) 9.051 7.634 ( -0.184 0.000 -4.323) 4.327 7.778 ( 10.231 0.000 -12.955) 16.508 7.804 ( 2.228 0.000 4.881) 5.366 7.897 ( 4.329 0.000 0.896) 4.421 7.935 ( -2.677 0.000 3.921) 4.748 8.121 ( -0.079 0.000 -8.092) 8.092 8.173 ( -6.031 0.000 -3.672) 7.061 8.280 ( -0.274 0.000 6.208) 6.214 8.383 ( -1.979 0.000 3.131) 3.704 8.476 ( 11.223 0.000 -0.191) 11.225 8.493 ( -14.896 0.000 7.888) 16.855 8.515 ( -3.659 0.000 4.234) 5.596 8.895 ( 10.604 0.000 -7.813) 13.172 9.056 ( -0.711 0.000 3.199) 3.277 9.077 ( -1.232 0.000 2.760) 3.023 9.081 ( -2.266 0.000 -8.300) 8.604 9.296 ( -0.622 0.000 -0.153) 0.640 9.312 ( 5.599 0.000 0.635) 5.635 9.327 ( 0.852 0.000 2.363) 2.512 9.383 ( 2.126 0.000 3.596) 4.177 9.514 ( 2.347 0.000 8.283) 8.609 9.602 ( -20.576 0.000 -2.030) 20.676 9.708 ( -4.761 0.000 -3.412) 5.857 9.824 ( -3.152 0.000 4.648) 5.615 9.923 ( -4.210 0.000 0.847) 4.295 9.949 ( 2.944 0.000 0.294) 2.959 10.075 ( -1.002 0.000 -5.313) 5.407 10.082 ( -0.946 0.000 1.578) 1.840 10.117 ( 1.646 0.000 -2.292) 2.822 10.202 ( 0.741 0.000 -0.171) 0.760 10.253 ( 10.487 0.000 -7.068) 12.647 10.435 ( 1.059 0.000 -4.804) 4.919 10.536 ( 6.078 0.000 4.488) 7.555 10.579 ( 2.885 0.000 -0.432) 2.917 10.582 ( -0.142 0.000 4.170) 4.173 10.614 ( -0.793 0.000 -1.137) 1.386 10.843 ( 1.049 0.000 5.362) 5.464 10.844 ( 1.142 0.000 5.545) 5.662 10.894 ( -1.861 0.000 1.232) 2.232 11.100 ( -0.521 0.000 -4.897) 4.925 11.195 ( -10.057 0.000 -0.078) 10.057 11.235 ( -11.940 0.000 0.945) 11.977 11.346 ( -3.740 0.000 -10.656) 11.293 11.376 ( 3.787 0.000 -2.127) 4.343 11.473 ( -1.657 0.000 0.016) 1.657 11.503 ( 2.025 0.000 3.533) 4.073 11.756 ( 4.033 0.000 4.318) 5.908 11.813 ( 1.370 0.000 -3.944) 4.175 11.832 ( 5.777 0.000 5.568) 8.023 11.899 ( -1.283 0.000 -0.754) 1.488 11.948 ( -3.542 0.000 0.126) 3.544 12.114 ( 1.159 0.000 1.197) 1.666 12.199 ( 22.272 0.000 -0.690) 22.283 12.277 ( 1.123 0.000 -7.341) 7.426 12.294 ( -3.520 0.000 8.731) 9.414 12.311 ( 4.912 0.000 0.587) 4.947 12.407 ( -4.862 0.000 5.583) 7.404 12.503 ( 8.004 0.000 -2.432) 8.366 12.524 ( -4.825 0.000 -1.707) 5.119 12.630 ( 0.153 0.000 10.202) 10.203 12.931 ( -0.394 0.000 0.774) 0.869 12.999 ( -0.591 0.000 -1.482) 1.596 13.086 ( 0.870 0.000 -8.314) 8.360 13.193 ( 0.716 0.000 -3.293) 3.370 13.211 ( -3.709 0.000 -7.962) 8.784 13.350 ( -1.906 0.000 -1.591) 2.482 13.913 ( 3.608 0.000 -4.358) 5.657 14.148 ( 9.681 0.000 -1.644) 9.820 14.205 ( -2.512 0.000 3.464) 4.279 14.262 ( -0.316 0.000 4.443) 4.454 14.389 ( -2.410 0.000 -0.159) 2.415 14.456 ( -1.204 0.000 7.615) 7.709 14.562 ( -0.383 0.000 0.449) 0.590 14.586 ( 3.057 0.000 -10.329) 10.772 14.591 ( 3.307 0.000 -0.757) 3.392 14.849 ( 1.308 0.000 -3.192) 3.450 15.177 ( -4.118 0.000 4.844) 6.357 15.485 ( -0.639 0.000 -3.532) 3.589 15.664 ( -0.903 0.000 5.332) 5.408 15.749 ( -1.588 0.000 1.056) 1.907 16.141 ( -1.805 0.000 1.147) 2.138 16.240 ( 1.055 0.000 -1.641) 1.951 16.648 ( 2.553 0.000 1.249) 2.842 16.816 ( -8.211 0.000 -2.210) 8.503 17.386 ( -0.199 0.000 3.557) 3.562 17.624 ( 0.311 0.000 2.444) 2.464 17.673 ( -0.441 0.000 -3.404) 3.432 17.804 ( 0.557 0.000 -1.470) 1.572 20.731 ( 1.361 0.000 -0.125) 1.367 20.752 ( -0.695 0.000 -0.325) 0.767 20.993 ( -13.452 0.000 0.070) 13.452 21.103 ( -1.870 0.000 -2.734) 3.313 21.712 ( -1.644 0.000 4.906) 5.174 21.996 ( 0.711 0.000 -2.413) 2.515 22.026 ( -1.953 0.000 5.248) 5.599 22.214 ( -1.892 0.000 1.154) 2.216 22.311 ( -0.150 0.000 -3.927) 3.930 22.441 ( 1.067 0.000 -2.495) 2.714 22.808 ( 2.409 0.000 2.137) 3.220 22.865 ( 0.213 0.000 3.113) 3.120 23.193 ( 0.697 0.000 3.318) 3.390 23.259 ( 0.845 0.000 1.315) 1.563 23.637 ( -0.468 0.000 0.616) 0.774 23.727 ( 4.193 0.000 3.295) 5.333 23.991 ( 4.869 0.000 -7.309) 8.783 24.085 ( -3.781 0.000 -3.555) 5.190 24.229 ( -1.903 0.000 1.727) 2.570 24.475 ( -0.717 0.000 -3.922) 3.987 24.929 ( 10.482 0.000 3.243) 10.972 25.165 ( -0.992 0.000 -2.853) 3.021 25.955 ( 25.367 0.000 0.333) 25.369 25.959 ( -1.675 0.000 0.492) 1.745 26.446 ( 0.406 0.000 0.323) 0.519 26.485 ( -1.630 0.000 -0.805) 1.818 26.516 ( 2.842 0.000 0.332) 2.862 26.518 ( -19.549 0.000 0.109) 19.549 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 15.676 0.000 20.653) 25.928 1.225 ( 21.530 0.000 24.066) 32.291 1.794 ( -9.526 0.000 -7.232) 11.960 1.964 ( 38.785 0.000 13.870) 41.191 2.344 ( 4.402 0.000 -3.912) 5.889 2.378 ( 5.527 0.000 -13.967) 15.021 2.642 ( 2.076 0.000 11.496) 11.682 2.768 ( 0.914 0.000 4.565) 4.655 2.778 ( 7.979 0.000 -5.457) 9.667 2.916 ( -1.670 0.000 3.124) 3.543 2.985 ( 6.839 0.000 5.013) 8.480 3.051 ( -2.154 0.000 5.236) 5.662 3.203 ( -1.762 0.000 -1.487) 2.305 3.313 ( 10.683 0.000 -1.072) 10.737 3.367 ( -1.424 0.000 -4.650) 4.863 3.476 ( 10.011 0.000 6.901) 12.159 3.534 ( 7.301 0.000 -1.078) 7.380 3.733 ( 1.295 0.000 0.803) 1.524 3.739 ( 3.916 0.000 -3.407) 5.191 3.780 ( -2.494 0.000 -0.944) 2.667 3.804 ( -5.951 0.000 -4.783) 7.635 3.999 ( -2.148 0.000 5.156) 5.586 4.004 ( -6.787 0.000 -3.795) 7.776 4.038 ( 0.323 0.000 5.938) 5.947 4.174 ( -1.515 0.000 -3.138) 3.485 4.265 ( 6.638 0.000 -7.769) 10.219 4.265 ( 4.968 0.000 5.372) 7.317 4.402 ( -5.397 0.000 -3.671) 6.527 4.436 ( 3.123 0.000 -1.383) 3.416 4.504 ( 2.540 0.000 -8.970) 9.323 4.520 ( -10.781 0.000 0.081) 10.781 4.583 ( -7.133 0.000 0.629) 7.161 4.669 ( 4.246 0.000 1.616) 4.543 4.705 ( 2.031 0.000 0.282) 2.050 4.807 ( -2.087 0.000 1.326) 2.472 4.959 ( 20.231 0.000 -6.887) 21.371 5.041 ( 4.956 0.000 -7.095) 8.655 5.090 ( -9.417 0.000 -1.416) 9.523 5.183 ( 7.504 0.000 -1.942) 7.751 5.204 ( 3.284 0.000 -1.251) 3.514 5.280 ( 2.481 0.000 -2.398) 3.450 5.494 ( 0.304 0.000 3.424) 3.438 5.564 ( 2.631 0.000 5.957) 6.512 5.623 ( 11.419 0.000 -0.614) 11.435 5.624 ( 8.774 0.000 -7.800) 11.740 5.717 ( -3.680 0.000 -2.753) 4.596 5.846 ( 0.027 0.000 -10.465) 10.465 6.066 ( 0.393 0.000 -3.591) 3.613 6.133 ( 1.959 0.000 5.134) 5.495 6.144 ( -8.282 0.000 5.323) 9.845 6.345 ( -3.013 0.000 6.248) 6.937 6.630 ( -7.248 0.000 -7.262) 10.260 6.654 ( 4.103 0.000 5.367) 6.755 6.751 ( -14.462 0.000 4.603) 15.176 6.769 ( -8.857 0.000 -7.810) 11.809 6.797 ( -7.764 0.000 4.744) 9.099 6.999 ( -11.882 0.000 -1.588) 11.987 7.076 ( -1.536 0.000 9.060) 9.190 7.219 ( -19.540 0.000 -10.753) 22.304 7.231 ( -6.833 0.000 -0.945) 6.898 7.237 ( -2.906 0.000 6.877) 7.466 7.366 ( 4.714 0.000 0.120) 4.716 7.470 ( 5.350 0.000 0.186) 5.353 7.518 ( 1.090 0.000 5.834) 5.935 7.653 ( 6.413 0.000 -1.905) 6.690 7.784 ( -6.103 0.000 -2.766) 6.700 7.873 ( -4.319 0.000 12.551) 13.273 7.911 ( -4.395 0.000 -8.668) 9.719 8.001 ( 5.836 0.000 -3.025) 6.573 8.065 ( -7.200 0.000 -1.399) 7.335 8.096 ( 12.502 0.000 3.329) 12.938 8.252 ( -2.810 0.000 -2.785) 3.956 8.327 ( 2.398 0.000 2.092) 3.182 8.453 ( -1.238 0.000 1.126) 1.673 8.494 ( 6.198 0.000 2.329) 6.621 8.735 ( 8.664 0.000 9.174) 12.619 8.924 ( -6.864 0.000 -6.926) 9.751 8.965 ( 0.137 0.000 3.494) 3.496 9.081 ( -1.680 0.000 1.030) 1.971 9.094 ( 0.977 0.000 5.159) 5.250 9.171 ( -11.841 0.000 -0.868) 11.873 9.276 ( -5.990 0.000 2.053) 6.332 9.360 ( 0.295 0.000 3.947) 3.958 9.381 ( 3.991 0.000 -1.387) 4.225 9.435 ( -6.441 0.000 -2.793) 7.020 9.509 ( -1.090 0.000 -0.110) 1.096 9.709 ( 2.864 0.000 5.942) 6.596 9.838 ( -3.277 0.000 1.661) 3.674 9.889 ( 4.363 0.000 1.449) 4.598 9.991 ( -4.159 0.000 -4.286) 5.972 10.005 ( -1.043 0.000 1.827) 2.103 10.122 ( 3.066 0.000 -1.501) 3.414 10.158 ( 2.581 0.000 -2.745) 3.768 10.203 ( -1.362 0.000 -4.129) 4.348 10.327 ( -5.659 0.000 -1.619) 5.886 10.332 ( 1.414 0.000 -0.341) 1.455 10.447 ( -3.218 0.000 1.084) 3.395 10.499 ( -8.210 0.000 -0.438) 8.222 10.620 ( 2.299 0.000 2.505) 3.400 10.671 ( 1.002 0.000 -6.775) 6.849 10.838 ( -5.605 0.000 4.855) 7.416 10.857 ( -3.523 0.000 8.373) 9.083 10.863 ( 1.412 0.000 5.452) 5.632 10.932 ( -10.541 0.000 -5.398) 11.843 11.083 ( 3.495 0.000 -3.454) 4.913 11.145 ( -1.952 0.000 0.358) 1.984 11.273 ( -1.191 0.000 -8.260) 8.345 11.403 ( 0.675 0.000 3.148) 3.219 11.444 ( -1.618 0.000 0.575) 1.717 11.606 ( 3.498 0.000 5.638) 6.635 11.692 ( -6.174 0.000 3.296) 6.999 11.826 ( 0.925 0.000 -4.761) 4.850 11.899 ( -4.095 0.000 -1.552) 4.379 11.921 ( 6.920 0.000 -3.256) 7.648 12.122 ( 11.216 0.000 0.414) 11.224 12.174 ( 11.789 0.000 3.094) 12.189 12.268 ( -1.653 0.000 6.000) 6.224 12.310 ( 4.649 0.000 -4.570) 6.519 12.402 ( 2.689 0.000 3.524) 4.433 12.459 ( -2.604 0.000 -0.724) 2.703 12.574 ( 9.617 0.000 -7.934) 12.467 12.612 ( 12.246 0.000 8.483) 14.897 12.774 ( 6.138 0.000 -8.240) 10.275 12.814 ( 11.251 0.000 10.923) 15.681 12.961 ( 3.589 0.000 2.302) 4.264 13.024 ( 6.129 0.000 -9.226) 11.076 13.098 ( -0.862 0.000 -8.238) 8.283 13.162 ( 6.688 0.000 -6.928) 9.630 13.210 ( 2.677 0.000 -1.770) 3.209 13.373 ( 10.295 0.000 -11.018) 15.079 13.968 ( 5.049 0.000 -3.101) 5.925 14.156 ( -3.496 0.000 -3.229) 4.759 14.157 ( -3.557 0.000 3.048) 4.684 14.337 ( 8.841 0.000 -4.207) 9.791 14.359 ( -5.980 0.000 4.023) 7.207 14.555 ( -1.052 0.000 0.832) 1.341 14.579 ( 3.858 0.000 -6.937) 7.938 14.719 ( 23.408 0.000 -11.399) 26.036 14.815 ( -0.463 0.000 -7.935) 7.949 14.826 ( 11.956 0.000 3.052) 12.340 15.163 ( -2.100 0.000 10.097) 10.313 15.405 ( -4.659 0.000 -5.041) 6.864 15.642 ( -4.743 0.000 4.391) 6.463 15.663 ( -7.067 0.000 1.396) 7.203 16.125 ( -0.125 0.000 0.280) 0.307 16.274 ( 2.926 0.000 -0.848) 3.047 16.518 ( -18.095 0.000 7.470) 19.576 16.692 ( 0.493 0.000 2.353) 2.404 17.359 ( -5.134 0.000 4.417) 6.773 17.595 ( -4.722 0.000 -4.123) 6.269 17.596 ( -4.474 0.000 2.715) 5.234 17.735 ( -5.935 0.000 -2.082) 6.290 20.749 ( 0.890 0.000 -0.968) 1.315 20.785 ( 3.576 0.000 0.216) 3.583 21.075 ( 0.964 0.000 -2.545) 2.722 21.092 ( 13.247 0.000 -5.276) 14.259 21.701 ( -2.706 0.000 4.884) 5.583 21.985 ( 0.032 0.000 -2.139) 2.140 22.051 ( 0.454 0.000 5.687) 5.705 22.218 ( 1.653 0.000 0.745) 1.813 22.316 ( 2.977 0.000 -3.687) 4.739 22.473 ( 3.283 0.000 -2.330) 4.026 22.840 ( -4.186 0.000 2.238) 4.747 22.858 ( 1.360 0.000 1.739) 2.208 23.249 ( 3.084 0.000 2.879) 4.219 23.313 ( 3.454 0.000 1.603) 3.808 23.655 ( 1.596 0.000 0.557) 1.690 23.896 ( 8.907 0.000 7.538) 11.669 23.946 ( -4.268 0.000 -6.941) 8.148 24.012 ( 2.994 0.000 -10.933) 11.336 24.212 ( -2.193 0.000 3.756) 4.349 24.379 ( -6.005 0.000 -4.651) 7.595 24.766 ( -20.523 0.000 15.718) 25.851 25.025 ( -9.463 0.000 -4.847) 10.632 25.664 ( -24.786 0.000 15.801) 29.395 25.825 ( -10.845 0.000 -2.987) 11.249 26.481 ( 3.100 0.000 0.424) 3.128 26.493 ( 2.897 0.000 -0.760) 2.995 26.605 ( 4.441 0.000 2.029) 4.882 26.676 ( 12.198 0.000 -7.711) 14.431 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 26.299 0.000 5.595) 26.887 1.489 ( 4.385 0.000 -7.618) 8.790 2.012 ( 23.417 0.000 23.323) 33.050 2.327 ( -1.883 0.000 -5.576) 5.885 2.329 ( 11.431 0.000 -8.982) 14.538 2.460 ( 2.139 0.000 -0.187) 2.147 2.780 ( -6.894 0.000 -3.222) 7.610 2.830 ( 7.154 0.000 -5.999) 9.336 2.879 ( 6.779 0.000 9.667) 11.807 2.892 ( -3.873 0.000 -0.067) 3.873 3.102 ( -11.491 0.000 4.208) 12.237 3.150 ( 8.319 0.000 5.216) 9.819 3.345 ( 0.397 0.000 -6.952) 6.963 3.358 ( 15.509 0.000 2.317) 15.681 3.408 ( -0.262 0.000 -4.048) 4.057 3.539 ( -2.021 0.000 2.140) 2.944 3.582 ( -5.517 0.000 -1.806) 5.805 3.690 ( 0.109 0.000 -3.066) 3.068 3.744 ( -3.250 0.000 -0.175) 3.255 3.860 ( 17.728 0.000 -0.440) 17.733 3.894 ( 12.621 0.000 8.104) 14.999 3.969 ( 3.002 0.000 1.485) 3.350 3.974 ( 4.055 0.000 5.217) 6.607 4.092 ( -10.409 0.000 -6.707) 12.382 4.178 ( 1.812 0.000 0.337) 1.843 4.187 ( 6.211 0.000 10.982) 12.617 4.292 ( -1.636 0.000 -2.180) 2.726 4.392 ( -11.662 0.000 1.088) 11.713 4.425 ( -2.448 0.000 -0.221) 2.458 4.451 ( 6.137 0.000 -7.407) 9.619 4.466 ( -1.611 0.000 7.991) 8.152 4.627 ( 8.396 0.000 6.976) 10.916 4.693 ( -2.223 0.000 0.758) 2.348 4.752 ( -1.926 0.000 1.470) 2.423 4.832 ( 11.650 0.000 -5.556) 12.907 4.958 ( -1.758 0.000 3.468) 3.888 5.075 ( 8.423 0.000 -13.092) 15.568 5.232 ( 5.068 0.000 1.986) 5.443 5.276 ( 3.570 0.000 -5.165) 6.279 5.326 ( 11.190 0.000 -11.587) 16.108 5.409 ( 0.652 0.000 -7.488) 7.516 5.459 ( 9.458 0.000 0.623) 9.479 5.606 ( 2.186 0.000 -7.096) 7.425 5.646 ( 1.791 0.000 7.412) 7.625 5.776 ( 1.495 0.000 3.222) 3.552 5.804 ( 7.005 0.000 -5.398) 8.843 5.927 ( -7.965 0.000 0.920) 8.018 5.968 ( 15.366 0.000 -3.511) 15.762 6.045 ( -6.941 0.000 -1.961) 7.213 6.235 ( 3.723 0.000 6.348) 7.359 6.323 ( -23.246 0.000 2.699) 23.402 6.442 ( 6.023 0.000 7.292) 9.458 6.528 ( -3.918 0.000 -6.268) 7.392 6.570 ( -10.234 0.000 -1.447) 10.336 6.692 ( -4.437 0.000 -0.227) 4.443 6.777 ( -4.025 0.000 -6.244) 7.429 6.810 ( -9.479 0.000 -4.037) 10.303 6.813 ( 5.128 0.000 4.958) 7.133 7.001 ( -12.179 0.000 7.488) 14.297 7.046 ( -11.035 0.000 -2.005) 11.216 7.147 ( -6.719 0.000 -0.602) 6.746 7.319 ( -12.034 0.000 -6.511) 13.682 7.458 ( -7.585 0.000 7.078) 10.374 7.537 ( -16.323 0.000 -0.424) 16.329 7.584 ( 4.913 0.000 -0.849) 4.986 7.700 ( -3.358 0.000 2.659) 4.283 7.843 ( -4.635 0.000 8.186) 9.407 7.850 ( 0.702 0.000 1.512) 1.667 8.035 ( 6.265 0.000 4.595) 7.770 8.191 ( 12.628 0.000 -2.494) 12.872 8.256 ( 2.440 0.000 0.672) 2.531 8.332 ( 10.922 0.000 -5.425) 12.195 8.455 ( 7.595 0.000 0.070) 7.595 8.496 ( 5.926 0.000 2.500) 6.432 8.568 ( -4.684 0.000 -6.537) 8.042 8.771 ( 0.118 0.000 1.310) 1.316 8.908 ( -10.603 0.000 0.322) 10.608 8.914 ( 3.814 0.000 8.309) 9.143 9.011 ( 0.869 0.000 5.533) 5.601 9.039 ( -2.501 0.000 -1.057) 2.715 9.141 ( -0.589 0.000 2.985) 3.043 9.198 ( -3.384 0.000 2.108) 3.986 9.279 ( -5.863 0.000 -1.544) 6.063 9.401 ( -5.611 0.000 -3.587) 6.659 9.438 ( 0.343 0.000 6.599) 6.608 9.454 ( 5.986 0.000 -7.478) 9.578 9.784 ( -0.198 0.000 2.570) 2.577 9.824 ( -2.485 0.000 5.074) 5.650 9.878 ( -2.105 0.000 -5.000) 5.425 9.903 ( -8.065 0.000 -2.835) 8.549 9.970 ( -7.418 0.000 -1.598) 7.588 9.990 ( 1.741 0.000 1.293) 2.169 10.163 ( -0.324 0.000 0.922) 0.977 10.238 ( -7.056 0.000 -2.335) 7.433 10.253 ( -0.012 0.000 -2.001) 2.001 10.308 ( 1.359 0.000 6.682) 6.819 10.405 ( 2.437 0.000 1.111) 2.678 10.457 ( 0.960 0.000 -5.706) 5.786 10.637 ( 1.448 0.000 -4.674) 4.893 10.670 ( -0.496 0.000 -0.017) 0.497 10.737 ( -6.123 0.000 -5.107) 7.973 10.799 ( 0.184 0.000 6.082) 6.085 10.845 ( -1.509 0.000 3.685) 3.982 10.953 ( 2.666 0.000 5.748) 6.336 11.110 ( -2.250 0.000 2.556) 3.405 11.159 ( 3.432 0.000 1.571) 3.774 11.192 ( -0.570 0.000 -6.928) 6.952 11.428 ( 0.209 0.000 -1.385) 1.401 11.468 ( 3.429 0.000 1.920) 3.930 11.597 ( -3.547 0.000 -5.039) 6.162 11.625 ( -3.453 0.000 5.438) 6.442 11.757 ( -7.806 0.000 -0.155) 7.807 11.777 ( -1.052 0.000 -3.235) 3.401 12.188 ( 12.425 0.000 -3.026) 12.788 12.206 ( 2.752 0.000 -1.549) 3.159 12.292 ( 0.215 0.000 4.183) 4.188 12.305 ( 0.718 0.000 -1.155) 1.360 12.450 ( 8.050 0.000 0.859) 8.095 12.475 ( 4.071 0.000 2.791) 4.936 12.622 ( 14.589 0.000 8.290) 16.780 12.662 ( 5.375 0.000 -5.618) 7.776 12.797 ( 3.627 0.000 4.978) 6.160 12.850 ( 5.553 0.000 2.070) 5.926 13.005 ( -0.417 0.000 -9.495) 9.504 13.022 ( 6.300 0.000 4.614) 7.809 13.039 ( -1.655 0.000 -2.952) 3.384 13.123 ( 2.933 0.000 1.756) 3.418 13.215 ( 4.616 0.000 -8.321) 9.516 13.284 ( 6.681 0.000 1.753) 6.907 13.452 ( 3.689 0.000 -7.772) 8.603 14.027 ( -1.058 0.000 -5.761) 5.857 14.122 ( 5.375 0.000 -16.952) 17.783 14.191 ( 6.728 0.000 10.293) 12.297 14.336 ( 1.434 0.000 3.310) 3.608 14.471 ( 8.840 0.000 -7.090) 11.332 14.527 ( -2.382 0.000 1.199) 2.667 14.555 ( -2.825 0.000 -4.343) 5.181 14.779 ( 2.615 0.000 -4.547) 5.245 14.999 ( 3.486 0.000 0.328) 3.501 15.044 ( 15.657 0.000 -6.957) 17.133 15.217 ( 0.199 0.000 11.100) 11.102 15.252 ( -7.289 0.000 -3.526) 8.097 15.541 ( -5.420 0.000 2.496) 5.967 15.545 ( -7.050 0.000 3.014) 7.667 16.121 ( -3.401 0.000 2.958) 4.508 16.263 ( -10.318 0.000 4.158) 11.124 16.328 ( 2.681 0.000 -0.580) 2.743 16.696 ( -0.977 0.000 0.642) 1.169 17.266 ( -6.788 0.000 4.539) 8.166 17.462 ( -5.237 0.000 -4.148) 6.681 17.507 ( -5.541 0.000 1.999) 5.891 17.578 ( -7.538 0.000 -2.428) 7.919 20.772 ( 2.033 0.000 -1.249) 2.386 20.852 ( 3.053 0.000 -0.617) 3.114 21.108 ( 2.513 0.000 1.531) 2.942 21.301 ( 11.271 0.000 -4.738) 12.226 21.678 ( -2.588 0.000 4.697) 5.363 21.979 ( 0.724 0.000 -1.953) 2.083 22.101 ( 0.264 0.000 6.958) 6.963 22.277 ( 3.173 0.000 1.382) 3.461 22.366 ( 3.844 0.000 -2.313) 4.486 22.516 ( 2.302 0.000 -2.448) 3.360 22.755 ( -5.080 0.000 1.079) 5.193 22.880 ( 0.161 0.000 0.109) 0.194 23.356 ( 6.244 0.000 1.799) 6.498 23.398 ( 4.328 0.000 -0.556) 4.364 23.687 ( 1.594 0.000 -1.792) 2.398 23.808 ( -4.005 0.000 -9.769) 10.558 24.019 ( 3.766 0.000 -8.505) 9.301 24.136 ( 6.402 0.000 9.775) 11.685 24.191 ( -2.394 0.000 4.688) 5.264 24.204 ( -5.722 0.000 -4.468) 7.259 24.528 ( -12.869 0.000 14.644) 19.495 24.801 ( -8.119 0.000 -6.305) 10.279 25.330 ( -20.314 0.000 12.149) 23.670 25.536 ( -14.173 0.000 -6.059) 15.414 26.552 ( 3.281 0.000 0.563) 3.329 26.563 ( 4.169 0.000 -1.043) 4.297 26.690 ( 2.258 0.000 2.864) 3.648 26.800 ( 5.704 0.000 -4.416) 7.213 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 10.445 0.000 5.564) 11.834 1.947 ( 20.204 0.000 1.278) 20.244 2.286 ( -0.512 0.000 3.403) 3.442 2.454 ( -4.527 0.000 7.477) 8.741 2.510 ( 9.069 0.000 -11.916) 14.974 2.575 ( 2.992 0.000 5.264) 6.055 2.638 ( 5.478 0.000 4.457) 7.062 2.736 ( -14.327 0.000 3.927) 14.856 2.812 ( 3.666 0.000 5.416) 6.540 2.959 ( -25.622 0.000 -4.871) 26.081 2.989 ( 10.700 0.000 -3.648) 11.305 3.125 ( 9.617 0.000 -2.538) 9.947 3.280 ( -6.311 0.000 5.022) 8.065 3.340 ( 4.127 0.000 0.193) 4.131 3.479 ( -1.132 0.000 -0.343) 1.183 3.603 ( 1.548 0.000 1.196) 1.956 3.619 ( 5.167 0.000 -2.610) 5.789 3.682 ( 4.609 0.000 3.286) 5.660 3.791 ( 1.936 0.000 -3.447) 3.953 3.868 ( -1.965 0.000 0.422) 2.009 4.008 ( 1.401 0.000 -0.954) 1.695 4.031 ( -1.232 0.000 0.087) 1.235 4.059 ( 6.687 0.000 -0.815) 6.737 4.130 ( -2.893 0.000 -1.543) 3.279 4.131 ( -4.297 0.000 -2.260) 4.856 4.225 ( -1.472 0.000 2.584) 2.974 4.320 ( 1.254 0.000 2.217) 2.547 4.372 ( -6.117 0.000 -2.169) 6.491 4.434 ( 1.743 0.000 4.203) 4.550 4.497 ( 9.383 0.000 -2.482) 9.705 4.610 ( -4.734 0.000 -3.041) 5.627 4.621 ( -3.080 0.000 6.821) 7.484 4.787 ( -0.245 0.000 8.800) 8.804 4.814 ( 14.633 0.000 14.760) 20.784 5.027 ( 2.768 0.000 4.098) 4.946 5.044 ( 11.502 0.000 -4.000) 12.178 5.153 ( -15.488 0.000 1.286) 15.542 5.206 ( 8.882 0.000 -11.866) 14.821 5.238 ( -1.461 0.000 -9.803) 9.911 5.407 ( 4.129 0.000 -6.439) 7.649 5.468 ( 2.378 0.000 -5.440) 5.937 5.517 ( -10.596 0.000 -4.024) 11.335 5.611 ( 5.143 0.000 3.023) 5.966 5.684 ( 6.187 0.000 -2.628) 6.722 5.737 ( -4.396 0.000 -7.767) 8.925 5.884 ( 10.964 0.000 10.247) 15.007 5.925 ( 12.322 0.000 -5.998) 13.704 5.987 ( 3.271 0.000 0.227) 3.279 6.072 ( -1.301 0.000 2.159) 2.521 6.171 ( 5.263 0.000 -1.622) 5.507 6.330 ( 0.354 0.000 4.327) 4.342 6.385 ( -3.294 0.000 -7.450) 8.146 6.483 ( -6.855 0.000 5.015) 8.494 6.494 ( -8.892 0.000 5.714) 10.570 6.586 ( -0.434 0.000 2.784) 2.818 6.681 ( -2.412 0.000 -3.845) 4.539 6.766 ( -10.844 0.000 -1.392) 10.933 6.834 ( -5.331 0.000 -3.965) 6.644 6.892 ( 11.567 0.000 -5.423) 12.775 6.896 ( -1.290 0.000 5.661) 5.806 7.024 ( -9.448 0.000 -7.458) 12.037 7.133 ( -8.041 0.000 -2.043) 8.297 7.150 ( -0.602 0.000 1.657) 1.763 7.419 ( -5.227 0.000 4.966) 7.210 7.552 ( -10.264 0.000 3.501) 10.845 7.643 ( 0.588 0.000 -2.799) 2.861 7.805 ( -3.461 0.000 2.549) 4.299 7.813 ( -2.630 0.000 -1.300) 2.934 8.292 ( 0.852 0.000 2.659) 2.792 8.311 ( 12.305 0.000 10.170) 15.964 8.370 ( -1.110 0.000 -2.655) 2.878 8.401 ( 5.210 0.000 1.291) 5.368 8.531 ( 8.412 0.000 2.015) 8.650 8.543 ( 2.977 0.000 -2.398) 3.822 8.627 ( 1.981 0.000 3.028) 3.618 8.714 ( -8.123 0.000 3.678) 8.917 8.910 ( 6.661 0.000 0.216) 6.665 8.978 ( -3.324 0.000 1.969) 3.864 8.999 ( -4.604 0.000 -1.496) 4.841 9.038 ( 1.911 0.000 1.195) 2.254 9.113 ( 1.114 0.000 3.596) 3.765 9.186 ( -0.142 0.000 0.136) 0.197 9.189 ( -2.155 0.000 0.819) 2.305 9.320 ( -0.757 0.000 -2.290) 2.412 9.435 ( -4.948 0.000 7.176) 8.717 9.541 ( 7.012 0.000 -6.187) 9.351 9.701 ( -3.442 0.000 -5.919) 6.847 9.721 ( -5.246 0.000 -4.898) 7.177 9.744 ( -3.778 0.000 -3.284) 5.006 9.872 ( -6.892 0.000 3.167) 7.585 9.917 ( 0.549 0.000 0.220) 0.591 9.979 ( 0.548 0.000 9.990) 10.005 10.133 ( -1.201 0.000 -1.640) 2.033 10.194 ( -1.443 0.000 1.237) 1.900 10.212 ( 2.499 0.000 1.862) 3.116 10.405 ( 4.056 0.000 -2.786) 4.921 10.436 ( 2.320 0.000 -6.956) 7.333 10.521 ( -10.071 0.000 5.845) 11.645 10.561 ( 5.984 0.000 5.564) 8.171 10.605 ( -2.485 0.000 0.598) 2.556 10.645 ( -0.100 0.000 -12.044) 12.044 10.834 ( -2.423 0.000 3.791) 4.499 10.905 ( 3.721 0.000 3.810) 5.325 11.001 ( -1.349 0.000 3.227) 3.498 11.099 ( -1.542 0.000 1.275) 2.001 11.166 ( 0.459 0.000 -1.749) 1.808 11.241 ( 5.278 0.000 -3.274) 6.211 11.439 ( 0.892 0.000 0.211) 0.917 11.490 ( -1.410 0.000 -3.057) 3.367 11.523 ( 1.368 0.000 -3.447) 3.709 11.616 ( -1.154 0.000 -2.743) 2.976 11.640 ( -4.571 0.000 11.865) 12.715 11.774 ( 5.273 0.000 -7.579) 9.233 12.083 ( -8.806 0.000 -4.933) 10.093 12.227 ( -0.277 0.000 -0.167) 0.324 12.346 ( 2.591 0.000 4.731) 5.394 12.477 ( 3.680 0.000 -1.250) 3.887 12.544 ( 0.171 0.000 4.148) 4.152 12.584 ( 1.777 0.000 8.463) 8.647 12.776 ( 8.719 0.000 -2.166) 8.984 12.842 ( -1.427 0.000 3.709) 3.975 12.917 ( 9.767 0.000 3.617) 10.416 12.925 ( -3.537 0.000 -1.971) 4.049 12.974 ( 4.097 0.000 -1.127) 4.249 13.006 ( 2.539 0.000 -1.789) 3.106 13.029 ( -7.267 0.000 -3.145) 7.918 13.181 ( 5.746 0.000 0.044) 5.746 13.248 ( 4.688 0.000 -5.597) 7.301 13.413 ( 1.879 0.000 2.329) 2.993 13.496 ( 4.577 0.000 -0.891) 4.663 13.926 ( -3.245 0.000 -5.945) 6.773 14.085 ( 4.133 0.000 -24.722) 25.065 14.313 ( -1.156 0.000 2.508) 2.761 14.388 ( -2.266 0.000 -1.834) 2.915 14.456 ( -2.693 0.000 -1.903) 3.298 14.565 ( 3.902 0.000 11.342) 11.994 14.591 ( 9.118 0.000 -14.251) 16.918 14.815 ( -0.091 0.000 3.362) 3.364 15.005 ( 0.314 0.000 0.513) 0.602 15.126 ( -3.004 0.000 0.384) 3.028 15.257 ( 2.260 0.000 2.671) 3.499 15.287 ( 6.125 0.000 2.382) 6.571 15.474 ( -0.271 0.000 6.065) 6.071 15.491 ( -2.272 0.000 1.597) 2.777 15.973 ( -11.470 0.000 7.131) 13.506 16.219 ( 0.691 0.000 0.455) 0.827 16.359 ( 0.900 0.000 -1.098) 1.420 16.670 ( -0.997 0.000 -2.039) 2.270 17.172 ( -4.858 0.000 2.771) 5.593 17.370 ( -0.867 0.000 -3.840) 3.936 17.432 ( -2.747 0.000 1.301) 3.039 17.456 ( -2.707 0.000 -1.381) 3.039 20.804 ( 1.678 0.000 -0.798) 1.858 20.885 ( 0.899 0.000 -1.843) 2.051 21.180 ( 1.839 0.000 6.436) 6.694 21.469 ( 7.406 0.000 -0.106) 7.407 21.674 ( -0.557 0.000 4.548) 4.582 21.978 ( 0.437 0.000 -2.452) 2.491 22.150 ( -0.593 0.000 9.297) 9.316 22.341 ( 1.726 0.000 2.668) 3.177 22.433 ( 3.854 0.000 0.355) 3.870 22.526 ( 0.584 0.000 -2.460) 2.528 22.669 ( -3.742 0.000 -0.752) 3.817 22.864 ( -0.767 0.000 -2.777) 2.881 23.450 ( 3.178 0.000 -8.159) 8.756 23.462 ( 1.317 0.000 -2.181) 2.548 23.655 ( -5.962 0.000 -8.017) 9.991 23.712 ( 5.691 0.000 -4.834) 7.467 23.993 ( -9.095 0.000 0.771) 9.127 24.029 ( 1.045 0.000 -2.740) 2.933 24.190 ( -3.015 0.000 9.299) 9.776 24.346 ( 3.075 0.000 5.392) 6.207 24.486 ( 3.780 0.000 1.405) 4.032 24.676 ( -0.514 0.000 -5.091) 5.117 25.021 ( -18.254 0.000 10.144) 20.883 25.285 ( -4.467 0.000 -5.602) 7.165 26.600 ( 1.093 0.000 0.344) 1.146 26.625 ( 2.656 0.000 -1.175) 2.904 26.724 ( -0.728 0.000 2.709) 2.805 26.860 ( 2.864 0.000 -2.376) 3.721 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 1.933 0.000 11.212) 11.377 2.121 ( -27.668 0.000 1.890) 27.733 2.128 ( -25.269 0.000 -0.318) 25.271 2.273 ( 8.480 0.000 2.217) 8.765 2.474 ( 1.208 0.000 -0.271) 1.238 2.493 ( -1.739 0.000 9.013) 9.179 2.556 ( -1.776 0.000 -11.607) 11.742 2.718 ( -3.110 0.000 -0.704) 3.189 2.775 ( 4.939 0.000 3.495) 6.050 3.144 ( 4.008 0.000 -0.576) 4.049 3.153 ( 10.175 0.000 5.745) 11.685 3.244 ( 9.440 0.000 -3.487) 10.064 3.305 ( -1.164 0.000 11.363) 11.423 3.425 ( 6.231 0.000 5.430) 8.265 3.537 ( 8.128 0.000 0.048) 8.129 3.600 ( -1.178 0.000 -1.713) 2.079 3.676 ( 3.317 0.000 -3.774) 5.025 3.695 ( -4.811 0.000 1.594) 5.069 3.766 ( -7.510 0.000 -4.036) 8.526 3.814 ( 1.883 0.000 -1.609) 2.477 3.887 ( -23.518 0.000 -5.197) 24.085 4.061 ( -3.203 0.000 -5.142) 6.058 4.075 ( -0.380 0.000 2.845) 2.871 4.086 ( 5.139 0.000 -2.843) 5.873 4.111 ( -5.859 0.000 5.398) 7.967 4.214 ( 3.225 0.000 1.276) 3.468 4.281 ( -1.281 0.000 -0.325) 1.321 4.351 ( -1.759 0.000 -3.859) 4.241 4.415 ( -17.877 0.000 5.840) 18.807 4.458 ( -0.054 0.000 0.043) 0.069 4.527 ( 2.391 0.000 1.145) 2.651 4.531 ( -7.395 0.000 9.308) 11.888 4.740 ( -4.523 0.000 -0.403) 4.541 4.764 ( 9.606 0.000 1.902) 9.792 5.001 ( -8.185 0.000 3.356) 8.846 5.084 ( -4.721 0.000 -14.004) 14.779 5.158 ( 2.292 0.000 -2.651) 3.504 5.260 ( 1.705 0.000 -2.876) 3.344 5.271 ( -0.032 0.000 -3.817) 3.817 5.318 ( 10.569 0.000 1.303) 10.649 5.395 ( -2.463 0.000 -6.578) 7.024 5.646 ( 0.998 0.000 -4.879) 4.980 5.675 ( -3.372 0.000 3.905) 5.159 5.752 ( 1.391 0.000 2.175) 2.582 5.770 ( 5.713 0.000 5.143) 7.686 5.976 ( -8.413 0.000 -8.864) 12.221 5.995 ( 0.835 0.000 3.338) 3.441 6.043 ( -3.803 0.000 -4.765) 6.097 6.128 ( -1.823 0.000 3.120) 3.613 6.242 ( -10.987 0.000 2.290) 11.224 6.311 ( 8.140 0.000 15.368) 17.390 6.367 ( -4.656 0.000 1.425) 4.869 6.425 ( 9.037 0.000 1.522) 9.164 6.523 ( 13.452 0.000 -10.464) 17.043 6.595 ( 5.891 0.000 7.470) 9.514 6.603 ( 6.426 0.000 -12.116) 13.715 6.708 ( 6.484 0.000 -2.964) 7.129 6.791 ( -6.286 0.000 -2.056) 6.614 6.862 ( 8.285 0.000 -1.688) 8.455 6.884 ( -2.097 0.000 6.212) 6.556 7.050 ( 5.120 0.000 -0.363) 5.132 7.093 ( 0.921 0.000 -10.367) 10.408 7.221 ( 2.743 0.000 3.281) 4.276 7.398 ( -3.563 0.000 -2.665) 4.450 7.411 ( 4.779 0.000 5.996) 7.668 7.608 ( -2.172 0.000 -2.659) 3.434 7.747 ( -2.353 0.000 -0.061) 2.354 7.831 ( 4.191 0.000 -0.573) 4.230 8.316 ( -5.591 0.000 3.318) 6.501 8.317 ( -0.799 0.000 2.329) 2.462 8.472 ( -1.125 0.000 2.583) 2.817 8.507 ( -4.848 0.000 -4.672) 6.732 8.574 ( 1.211 0.000 9.074) 9.155 8.597 ( -5.965 0.000 0.767) 6.014 8.651 ( 6.390 0.000 13.331) 14.784 8.751 ( 7.810 0.000 3.372) 8.507 8.792 ( -7.975 0.000 -2.637) 8.399 8.968 ( -2.752 0.000 0.443) 2.787 9.019 ( 4.978 0.000 -0.247) 4.984 9.061 ( 0.012 0.000 0.841) 0.841 9.130 ( -2.402 0.000 -1.164) 2.670 9.182 ( -2.857 0.000 3.447) 4.477 9.189 ( 1.377 0.000 -1.003) 1.704 9.341 ( 4.076 0.000 0.487) 4.105 9.414 ( -0.344 0.000 4.543) 4.556 9.555 ( -2.432 0.000 -5.030) 5.587 9.626 ( -2.071 0.000 -1.217) 2.402 9.657 ( -2.027 0.000 -5.836) 6.178 9.709 ( 9.749 0.000 -5.414) 11.152 9.839 ( 5.515 0.000 0.122) 5.516 9.986 ( 2.821 0.000 1.093) 3.026 10.060 ( 1.378 0.000 10.282) 10.374 10.104 ( -0.564 0.000 -2.846) 2.901 10.208 ( 0.117 0.000 -1.372) 1.377 10.271 ( -11.150 0.000 2.010) 11.329 10.288 ( 1.645 0.000 6.853) 7.048 10.459 ( 4.682 0.000 -6.400) 7.930 10.472 ( 3.174 0.000 -3.714) 4.885 10.563 ( -0.015 0.000 -8.522) 8.522 10.594 ( 0.701 0.000 1.391) 1.558 10.779 ( -0.539 0.000 5.781) 5.806 10.790 ( 3.673 0.000 5.700) 6.781 10.881 ( -7.195 0.000 -1.352) 7.321 10.996 ( 0.387 0.000 3.419) 3.441 11.051 ( -2.269 0.000 0.812) 2.410 11.170 ( 1.321 0.000 -1.342) 1.883 11.310 ( 4.383 0.000 -4.891) 6.568 11.392 ( -5.464 0.000 -1.887) 5.780 11.445 ( -0.727 0.000 2.244) 2.359 11.578 ( 0.295 0.000 -0.768) 0.823 11.651 ( 12.283 0.000 -5.375) 13.408 11.728 ( 3.004 0.000 12.398) 12.756 11.840 ( -3.645 0.000 -3.683) 5.182 11.875 ( 0.292 0.000 -10.620) 10.624 12.198 ( -2.454 0.000 -0.052) 2.454 12.419 ( -1.069 0.000 6.902) 6.984 12.434 ( -5.296 0.000 3.813) 6.525 12.547 ( -0.519 0.000 3.720) 3.756 12.655 ( -1.741 0.000 2.693) 3.207 12.717 ( -13.179 0.000 -1.066) 13.222 12.772 ( -3.461 0.000 -1.036) 3.613 12.841 ( -3.298 0.000 -4.450) 5.539 12.859 ( -6.993 0.000 2.422) 7.401 13.024 ( 1.613 0.000 -2.541) 3.010 13.085 ( 1.291 0.000 -0.442) 1.365 13.135 ( 8.154 0.000 3.408) 8.837 13.188 ( -3.262 0.000 0.517) 3.303 13.347 ( -7.209 0.000 -3.306) 7.931 13.353 ( 6.042 0.000 -0.158) 6.045 13.600 ( 4.584 0.000 3.851) 5.987 13.858 ( 0.559 0.000 -7.721) 7.741 13.960 ( -0.223 0.000 -24.647) 24.648 14.199 ( -7.845 0.000 -2.654) 8.281 14.324 ( -2.100 0.000 0.028) 2.100 14.485 ( 7.066 0.000 -1.316) 7.187 14.628 ( 4.705 0.000 -15.266) 15.975 14.646 ( -2.903 0.000 9.325) 9.767 14.759 ( -8.146 0.000 2.736) 8.594 15.067 ( 1.038 0.000 4.534) 4.652 15.184 ( 7.921 0.000 2.641) 8.349 15.246 ( -0.613 0.000 4.045) 4.091 15.442 ( 4.871 0.000 2.330) 5.399 15.446 ( -1.665 0.000 -0.706) 1.808 15.576 ( 5.888 0.000 -6.051) 8.443 15.872 ( -4.665 0.000 19.580) 20.128 16.230 ( -0.574 0.000 1.376) 1.491 16.349 ( -0.794 0.000 -1.867) 2.029 16.633 ( -0.562 0.000 -4.526) 4.561 17.133 ( 0.133 0.000 0.989) 0.998 17.399 ( 6.167 0.000 -2.479) 6.646 17.425 ( 1.401 0.000 0.652) 1.545 17.464 ( 3.598 0.000 -0.519) 3.635 20.818 ( -0.082 0.000 0.169) 0.188 20.861 ( -1.741 0.000 -2.689) 3.203 21.243 ( -0.693 0.000 7.875) 7.906 21.578 ( 2.885 0.000 2.979) 4.147 21.730 ( 3.120 0.000 5.198) 6.062 21.963 ( 0.118 0.000 -3.080) 3.082 22.201 ( -1.307 0.000 12.490) 12.558 22.369 ( -1.415 0.000 3.943) 4.189 22.497 ( -1.094 0.000 1.919) 2.209 22.540 ( 4.609 0.000 -0.354) 4.622 22.598 ( -2.161 0.000 -3.271) 3.921 22.827 ( -0.067 0.000 -4.566) 4.567 23.357 ( -5.966 0.000 -6.527) 8.843 23.373 ( -1.376 0.000 -22.660) 22.702 23.503 ( -6.184 0.000 0.838) 6.240 23.821 ( 0.407 0.000 -5.368) 5.383 23.879 ( 0.572 0.000 1.727) 1.820 24.048 ( 2.324 0.000 -0.884) 2.487 24.180 ( -4.182 0.000 10.190) 11.015 24.316 ( -5.221 0.000 2.024) 5.600 24.600 ( -0.363 0.000 -0.712) 0.799 24.715 ( 7.017 0.000 -2.501) 7.449 24.832 ( 0.153 0.000 5.967) 5.969 25.355 ( 12.156 0.000 -1.645) 12.266 26.594 ( -1.817 0.000 0.021) 1.817 26.645 ( 0.087 0.000 -1.213) 1.217 26.697 ( -3.608 0.000 2.322) 4.291 26.886 ( 1.192 0.000 -1.350) 1.801 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -35.581 0.000 3.355) 35.739 1.479 ( -36.229 0.000 -0.366) 36.231 1.977 ( 3.101 0.000 5.782) 6.561 2.343 ( -8.857 0.000 7.875) 11.852 2.433 ( 1.611 0.000 -8.731) 8.878 2.533 ( -3.025 0.000 3.251) 4.441 2.559 ( -7.697 0.000 -1.442) 7.831 2.721 ( 10.859 0.000 2.915) 11.243 2.813 ( -38.938 0.000 -3.365) 39.083 2.864 ( 1.894 0.000 1.854) 2.651 3.128 ( -10.623 0.000 4.021) 11.358 3.145 ( -9.523 0.000 -0.183) 9.524 3.431 ( 5.057 0.000 -1.470) 5.266 3.492 ( -2.541 0.000 9.395) 9.733 3.532 ( -4.386 0.000 -4.372) 6.193 3.565 ( -0.939 0.000 -6.536) 6.603 3.624 ( -6.426 0.000 3.372) 7.257 3.642 ( 7.242 0.000 1.627) 7.422 3.696 ( -2.658 0.000 -0.390) 2.686 3.745 ( -1.294 0.000 -2.769) 3.057 3.794 ( -0.592 0.000 -0.984) 1.149 3.888 ( 6.538 0.000 -0.443) 6.553 4.069 ( -1.516 0.000 4.144) 4.413 4.140 ( 2.489 0.000 -0.634) 2.568 4.198 ( -3.074 0.000 -5.138) 5.987 4.202 ( -4.669 0.000 -3.150) 5.632 4.262 ( 9.280 0.000 -1.902) 9.473 4.359 ( -2.751 0.000 9.959) 10.331 4.407 ( 8.439 0.000 6.060) 10.390 4.485 ( -2.946 0.000 -1.624) 3.364 4.512 ( 2.680 0.000 -1.850) 3.256 4.577 ( 2.755 0.000 0.330) 2.775 4.734 ( -11.130 0.000 -1.747) 11.267 4.826 ( 11.711 0.000 8.301) 14.354 4.880 ( -4.648 0.000 4.593) 6.534 4.887 ( -6.696 0.000 -10.589) 12.528 5.009 ( -14.160 0.000 -3.447) 14.573 5.271 ( -1.137 0.000 0.223) 1.159 5.273 ( 4.241 0.000 -2.666) 5.010 5.383 ( -3.125 0.000 -4.110) 5.163 5.389 ( -2.009 0.000 -2.113) 2.916 5.576 ( -1.170 0.000 0.748) 1.389 5.647 ( 3.508 0.000 -8.785) 9.459 5.736 ( -9.718 0.000 -1.814) 9.886 5.761 ( -4.392 0.000 3.282) 5.482 5.856 ( 0.738 0.000 1.029) 1.266 5.982 ( -3.454 0.000 -3.811) 5.143 6.010 ( -9.734 0.000 4.342) 10.659 6.016 ( -2.481 0.000 -7.827) 8.210 6.115 ( 8.511 0.000 3.443) 9.182 6.188 ( -6.599 0.000 0.373) 6.610 6.363 ( 2.586 0.000 6.375) 6.879 6.656 ( 8.283 0.000 4.101) 9.243 6.661 ( 1.077 0.000 0.235) 1.103 6.734 ( 10.905 0.000 -2.654) 11.223 6.794 ( -5.017 0.000 2.212) 5.483 6.815 ( 9.080 0.000 0.565) 9.098 6.950 ( 8.104 0.000 -10.059) 12.917 7.031 ( 9.889 0.000 3.515) 10.495 7.088 ( 12.062 0.000 3.783) 12.641 7.098 ( 16.191 0.000 -10.167) 19.118 7.170 ( 13.753 0.000 10.175) 17.108 7.281 ( 1.668 0.000 0.117) 1.673 7.365 ( 3.429 0.000 -10.684) 11.221 7.546 ( -3.196 0.000 0.811) 3.297 7.653 ( 11.771 0.000 5.985) 13.205 7.782 ( 6.194 0.000 4.446) 7.625 7.886 ( 0.852 0.000 -1.323) 1.574 8.162 ( -10.915 0.000 5.403) 12.180 8.219 ( -11.412 0.000 -2.746) 11.737 8.305 ( -9.230 0.000 -6.087) 11.057 8.427 ( -4.953 0.000 4.999) 7.037 8.460 ( -7.681 0.000 -0.481) 7.696 8.567 ( -6.399 0.000 5.233) 8.266 8.671 ( -4.272 0.000 -0.053) 4.273 8.802 ( -2.481 0.000 11.001) 11.277 8.928 ( -0.849 0.000 1.671) 1.875 8.978 ( 10.419 0.000 4.821) 11.480 9.030 ( -4.374 0.000 -4.786) 6.483 9.076 ( 0.938 0.000 -0.749) 1.200 9.095 ( 2.382 0.000 4.918) 5.464 9.190 ( 4.492 0.000 1.825) 4.849 9.215 ( 2.560 0.000 -5.614) 6.170 9.401 ( -1.983 0.000 -1.892) 2.741 9.445 ( -1.531 0.000 -1.285) 1.998 9.469 ( 3.240 0.000 1.561) 3.597 9.616 ( 2.366 0.000 -3.626) 4.329 9.632 ( 2.159 0.000 2.053) 2.979 9.967 ( 6.160 0.000 -1.459) 6.331 9.981 ( 7.074 0.000 -1.581) 7.249 10.030 ( 0.744 0.000 3.510) 3.588 10.038 ( 2.760 0.000 0.601) 2.825 10.076 ( 0.418 0.000 -3.477) 3.502 10.191 ( 3.301 0.000 9.078) 9.660 10.295 ( 6.705 0.000 -3.090) 7.382 10.322 ( -1.678 0.000 3.008) 3.445 10.480 ( -5.265 0.000 1.766) 5.553 10.516 ( 0.128 0.000 -4.907) 4.909 10.522 ( 2.911 0.000 -6.473) 7.097 10.563 ( -1.802 0.000 -1.432) 2.301 10.659 ( -4.985 0.000 -1.130) 5.111 10.838 ( 3.751 0.000 3.253) 4.965 10.923 ( -6.214 0.000 0.551) 6.239 10.996 ( 6.625 0.000 6.451) 9.247 11.119 ( 5.417 0.000 3.095) 6.239 11.215 ( 3.257 0.000 1.233) 3.483 11.299 ( -1.598 0.000 -4.313) 4.600 11.386 ( 7.287 0.000 -3.884) 8.258 11.442 ( -0.875 0.000 2.177) 2.346 11.607 ( 0.695 0.000 4.337) 4.392 11.610 ( -10.267 0.000 -2.705) 10.618 11.855 ( 7.998 0.000 -1.083) 8.071 11.856 ( 2.155 0.000 5.293) 5.715 11.901 ( 4.677 0.000 -12.433) 13.284 12.134 ( -3.704 0.000 -1.060) 3.852 12.329 ( -13.020 0.000 0.330) 13.024 12.369 ( -3.767 0.000 2.399) 4.466 12.435 ( -11.323 0.000 6.919) 13.270 12.503 ( -9.427 0.000 1.766) 9.591 12.560 ( -4.960 0.000 2.109) 5.389 12.677 ( -7.085 0.000 -8.547) 11.102 12.714 ( -9.225 0.000 5.126) 10.554 12.854 ( 6.331 0.000 2.854) 6.944 12.906 ( -13.066 0.000 -2.065) 13.228 13.044 ( 2.149 0.000 -2.263) 3.121 13.064 ( -10.988 0.000 0.641) 11.007 13.259 ( 0.257 0.000 -2.766) 2.778 13.261 ( 3.521 0.000 -2.774) 4.482 13.405 ( -1.094 0.000 0.514) 1.209 13.707 ( -1.574 0.000 0.049) 1.575 13.798 ( 3.291 0.000 -15.376) 15.724 13.839 ( 3.366 0.000 -8.099) 8.770 14.088 ( -0.348 0.000 -3.277) 3.295 14.312 ( -1.168 0.000 5.134) 5.266 14.550 ( -5.957 0.000 -4.011) 7.181 14.617 ( -4.006 0.000 5.400) 6.724 14.629 ( -0.254 0.000 -8.904) 8.908 14.659 ( 8.370 0.000 -0.158) 8.371 14.988 ( -10.157 0.000 0.668) 10.179 15.264 ( -2.413 0.000 6.286) 6.733 15.384 ( 7.296 0.000 1.774) 7.509 15.454 ( -2.257 0.000 -23.087) 23.197 15.502 ( 8.315 0.000 1.649) 8.477 15.562 ( 1.792 0.000 -2.594) 3.153 16.091 ( 7.800 0.000 29.793) 30.797 16.214 ( -2.040 0.000 4.030) 4.517 16.308 ( -1.908 0.000 -2.202) 2.914 16.597 ( 0.507 0.000 -5.276) 5.301 17.198 ( 5.427 0.000 1.371) 5.597 17.484 ( 4.031 0.000 -0.027) 4.031 17.555 ( 8.178 0.000 0.872) 8.224 17.562 ( 7.874 0.000 -3.131) 8.473 20.794 ( -2.849 0.000 -2.673) 3.907 20.804 ( -1.509 0.000 0.707) 1.667 21.241 ( -3.750 0.000 4.772) 6.069 21.635 ( 1.326 0.000 2.750) 3.053 21.836 ( 4.129 0.000 1.855) 4.526 21.958 ( 1.534 0.000 -2.734) 3.135 22.265 ( -0.983 0.000 12.285) 12.324 22.324 ( -5.616 0.000 3.270) 6.498 22.450 ( -3.342 0.000 -0.914) 3.465 22.530 ( -2.577 0.000 -2.524) 3.607 22.664 ( 6.249 0.000 1.917) 6.536 22.805 ( 0.694 0.000 -7.831) 7.862 23.190 ( -1.995 0.000 -10.870) 11.052 23.226 ( -3.465 0.000 -3.358) 4.826 23.398 ( -4.979 0.000 0.451) 4.999 23.730 ( -4.282 0.000 -0.986) 4.394 23.837 ( -5.698 0.000 -4.259) 7.114 24.097 ( 2.591 0.000 -0.055) 2.592 24.171 ( -2.500 0.000 7.999) 8.381 24.337 ( 5.812 0.000 1.122) 5.919 24.452 ( -10.153 0.000 3.234) 10.655 24.891 ( 11.204 0.000 -1.028) 11.251 25.067 ( 14.671 0.000 2.239) 14.841 25.631 ( 14.875 0.000 -0.225) 14.876 26.538 ( -3.541 0.000 -0.135) 3.544 26.612 ( -3.068 0.000 -1.317) 3.339 26.620 ( -4.828 0.000 1.784) 5.147 26.893 ( 0.444 0.000 -1.378) 1.448 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -34.671 0.000 4.872) 35.012 0.843 ( -31.202 0.000 18.621) 36.336 1.583 ( -58.606 0.000 31.302) 66.442 2.064 ( 5.075 0.000 -5.654) 7.597 2.422 ( 0.509 0.000 -0.712) 0.876 2.429 ( 2.065 0.000 -10.087) 10.296 2.529 ( -3.512 0.000 0.620) 3.566 2.599 ( 0.176 0.000 6.228) 6.231 2.760 ( -5.285 0.000 -2.842) 6.001 2.959 ( -5.319 0.000 6.765) 8.606 2.983 ( -3.738 0.000 -6.094) 7.149 3.057 ( 11.302 0.000 5.056) 12.381 3.266 ( -10.458 0.000 -5.243) 11.698 3.374 ( -3.116 0.000 -8.208) 8.780 3.386 ( -11.848 0.000 -4.937) 12.836 3.477 ( -4.783 0.000 1.517) 5.018 3.575 ( -4.743 0.000 3.789) 6.070 3.668 ( 1.081 0.000 3.472) 3.637 3.740 ( 1.599 0.000 -1.056) 1.916 3.773 ( 2.949 0.000 -4.871) 5.695 3.901 ( 0.224 0.000 3.531) 3.538 3.950 ( 3.833 0.000 7.412) 8.345 4.047 ( -4.323 0.000 4.553) 6.279 4.114 ( -0.635 0.000 1.054) 1.230 4.189 ( 4.904 0.000 -5.765) 7.569 4.209 ( 2.945 0.000 -3.675) 4.709 4.279 ( -4.660 0.000 -5.947) 7.556 4.358 ( -4.174 0.000 -5.431) 6.850 4.469 ( 8.255 0.000 7.554) 11.190 4.499 ( 4.367 0.000 -2.666) 5.116 4.532 ( -1.281 0.000 2.523) 2.830 4.657 ( 1.208 0.000 1.040) 1.594 4.695 ( -4.991 0.000 -7.887) 9.333 4.734 ( 0.775 0.000 2.916) 3.017 4.764 ( -9.153 0.000 5.724) 10.795 4.795 ( 2.608 0.000 -2.755) 3.793 5.132 ( 4.972 0.000 1.428) 5.173 5.160 ( -7.255 0.000 -9.499) 11.953 5.219 ( -3.550 0.000 4.561) 5.780 5.288 ( -2.249 0.000 -8.388) 8.684 5.342 ( 0.038 0.000 0.110) 0.117 5.483 ( -6.807 0.000 2.522) 7.259 5.509 ( -8.101 0.000 -4.380) 9.209 5.646 ( -2.192 0.000 -4.366) 4.886 5.657 ( -7.136 0.000 -6.937) 9.952 5.838 ( -3.539 0.000 -1.892) 4.013 5.868 ( 2.349 0.000 2.345) 3.319 5.974 ( 0.041 0.000 0.335) 0.337 6.027 ( 4.816 0.000 -4.259) 6.429 6.285 ( 2.308 0.000 5.720) 6.168 6.288 ( 11.218 0.000 3.321) 11.699 6.552 ( 12.978 0.000 -2.326) 13.185 6.565 ( -5.261 0.000 -5.946) 7.940 6.789 ( 1.606 0.000 4.578) 4.852 6.803 ( 5.293 0.000 4.285) 6.810 6.914 ( 5.105 0.000 0.192) 5.108 6.989 ( 8.382 0.000 0.375) 8.390 7.026 ( 5.553 0.000 4.425) 7.101 7.180 ( 5.301 0.000 -0.954) 5.386 7.238 ( 0.944 0.000 -0.436) 1.040 7.262 ( 6.971 0.000 1.703) 7.176 7.402 ( 3.181 0.000 0.907) 3.308 7.441 ( 2.868 0.000 5.240) 5.973 7.448 ( 12.300 0.000 -5.526) 13.484 7.599 ( 7.885 0.000 8.224) 11.393 7.716 ( -3.484 0.000 -4.958) 6.060 7.889 ( -16.478 0.000 -2.437) 16.657 7.960 ( 3.935 0.000 3.501) 5.267 7.980 ( -0.102 0.000 4.114) 4.115 8.048 ( -0.238 0.000 1.210) 1.233 8.168 ( 3.280 0.000 2.098) 3.893 8.310 ( -2.283 0.000 -4.306) 4.874 8.335 ( -7.629 0.000 2.062) 7.903 8.453 ( -6.248 0.000 2.667) 6.793 8.593 ( -4.364 0.000 0.896) 4.455 8.713 ( -12.505 0.000 11.096) 16.718 8.883 ( -2.161 0.000 -11.332) 11.536 9.015 ( 3.951 0.000 5.832) 7.044 9.050 ( -1.448 0.000 2.345) 2.756 9.141 ( 3.688 0.000 -6.160) 7.180 9.205 ( 1.256 0.000 -4.467) 4.640 9.218 ( 5.478 0.000 3.286) 6.388 9.304 ( 3.258 0.000 -0.362) 3.278 9.385 ( 2.128 0.000 6.261) 6.612 9.393 ( -2.854 0.000 2.546) 3.825 9.577 ( 8.516 0.000 -2.619) 8.909 9.705 ( 3.555 0.000 1.638) 3.914 9.760 ( 9.646 0.000 7.505) 12.222 9.921 ( 0.419 0.000 -1.072) 1.151 10.009 ( -0.556 0.000 3.027) 3.078 10.073 ( 0.181 0.000 1.096) 1.111 10.114 ( 1.942 0.000 -2.661) 3.294 10.185 ( 1.436 0.000 0.525) 1.529 10.218 ( -10.262 0.000 1.400) 10.357 10.251 ( -5.656 0.000 -5.346) 7.782 10.391 ( 7.209 0.000 -7.260) 10.231 10.391 ( -2.831 0.000 -2.870) 4.032 10.481 ( 5.184 0.000 8.789) 10.204 10.578 ( 4.724 0.000 -3.091) 5.646 10.600 ( 1.792 0.000 -1.106) 2.105 10.687 ( 8.521 0.000 2.597) 8.908 10.811 ( -4.136 0.000 2.621) 4.896 10.933 ( 0.408 0.000 2.480) 2.514 11.094 ( 1.848 0.000 -0.437) 1.899 11.256 ( 6.773 0.000 -3.854) 7.792 11.277 ( -0.155 0.000 1.901) 1.907 11.299 ( 4.249 0.000 4.600) 6.263 11.437 ( -5.706 0.000 -1.765) 5.973 11.444 ( 1.908 0.000 -2.010) 2.771 11.533 ( 4.696 0.000 -1.576) 4.953 11.640 ( -1.079 0.000 8.352) 8.422 11.783 ( -6.516 0.000 -4.883) 8.143 11.851 ( -0.705 0.000 -5.959) 6.000 11.978 ( 1.837 0.000 0.424) 1.885 12.041 ( -7.486 0.000 0.478) 7.501 12.104 ( -5.279 0.000 4.224) 6.761 12.302 ( -2.865 0.000 -6.825) 7.402 12.341 ( -6.132 0.000 8.340) 10.352 12.360 ( -8.245 0.000 -3.241) 8.859 12.375 ( -1.827 0.000 -2.546) 3.134 12.528 ( -2.485 0.000 -6.011) 6.504 12.578 ( -13.874 0.000 5.853) 15.058 12.655 ( -8.253 0.000 6.246) 10.350 12.947 ( 0.832 0.000 -5.818) 5.877 12.947 ( -2.107 0.000 0.670) 2.211 13.089 ( 0.870 0.000 -3.941) 4.036 13.187 ( -7.879 0.000 -18.865) 20.444 13.223 ( -1.332 0.000 -3.303) 3.562 13.368 ( -1.517 0.000 1.114) 1.882 13.416 ( -15.197 0.000 -12.797) 19.867 13.875 ( 3.639 0.000 -4.712) 5.953 13.955 ( 10.109 0.000 1.234) 10.184 14.149 ( 7.417 0.000 -2.978) 7.993 14.338 ( -0.326 0.000 9.566) 9.572 14.407 ( -9.212 0.000 3.439) 9.833 14.579 ( -2.044 0.000 1.865) 2.767 14.586 ( 1.418 0.000 -10.072) 10.171 14.755 ( -12.001 0.000 -1.152) 12.056 14.765 ( 1.332 0.000 -9.659) 9.750 14.964 ( -23.592 0.000 -33.978) 41.366 15.238 ( -4.213 0.000 2.966) 5.152 15.477 ( 3.004 0.000 -1.433) 3.329 15.619 ( 1.866 0.000 4.305) 4.692 15.689 ( 6.513 0.000 2.587) 7.008 16.172 ( -2.526 0.000 2.681) 3.683 16.258 ( -1.379 0.000 -2.224) 2.616 16.563 ( 18.887 0.000 24.813) 31.184 16.598 ( 2.387 0.000 -2.628) 3.550 17.325 ( 5.064 0.000 2.108) 5.486 17.565 ( 3.739 0.000 0.456) 3.767 17.653 ( 4.082 0.000 -2.142) 4.610 17.731 ( 7.456 0.000 -1.159) 7.546 20.735 ( -1.330 0.000 -1.499) 2.003 20.775 ( -1.642 0.000 0.443) 1.701 21.174 ( -4.178 0.000 0.213) 4.183 21.638 ( -5.282 0.000 -12.997) 14.030 21.780 ( -10.127 0.000 -19.253) 21.754 21.982 ( 2.151 0.000 -2.370) 3.200 22.112 ( -11.784 0.000 -4.250) 12.527 22.270 ( -4.498 0.000 2.450) 5.122 22.369 ( -3.160 0.000 -2.942) 4.318 22.467 ( -1.796 0.000 -2.609) 3.167 22.751 ( 0.976 0.000 0.054) 0.978 22.792 ( 4.690 0.000 3.227) 5.694 23.179 ( -0.935 0.000 1.205) 1.525 23.260 ( -0.343 0.000 1.971) 2.001 23.569 ( 27.755 0.000 36.823) 46.111 23.664 ( -2.316 0.000 0.649) 2.406 23.710 ( -3.147 0.000 -2.353) 3.929 24.130 ( 0.315 0.000 -0.005) 0.315 24.240 ( 6.422 0.000 18.511) 19.593 24.304 ( -5.241 0.000 2.124) 5.655 24.453 ( 4.728 0.000 -1.698) 5.024 25.093 ( 8.892 0.000 -1.390) 9.000 25.364 ( 13.362 0.000 8.749) 15.971 25.878 ( 9.120 0.000 0.814) 9.157 26.471 ( -2.764 0.000 -0.050) 2.764 26.523 ( -3.694 0.000 0.389) 3.714 26.549 ( -3.520 0.000 -0.926) 3.640 26.865 ( -2.867 0.000 -6.155) 6.790 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.708 21.024 17.352) 27.268 1.005 ( 1.196 26.120 23.569) 35.202 1.740 ( -0.320 37.613 18.922) 42.106 2.039 ( -1.961 9.050 6.468) 11.296 2.273 ( -0.513 -14.739 1.264) 14.801 2.311 ( 4.277 -6.094 -10.286) 12.698 2.534 ( -0.295 -2.320 6.614) 7.016 2.612 ( 3.825 1.452 2.219) 4.654 2.801 ( 0.445 -2.687 -2.264) 3.542 2.888 ( -1.361 -0.326 2.009) 2.448 2.980 ( 0.482 7.765 -4.694) 9.086 3.093 ( -4.035 -4.520 -3.829) 7.167 3.120 ( 3.344 -3.898 -0.988) 5.230 3.220 ( -3.836 -6.612 -0.205) 7.647 3.293 ( -0.984 3.175 -5.378) 6.322 3.353 ( 0.587 -0.067 4.584) 4.622 3.390 ( 2.483 -2.487 3.888) 5.241 3.750 ( 1.764 -0.780 4.824) 5.195 3.776 ( -6.356 1.058 -1.914) 6.721 3.859 ( 1.262 4.866 -2.179) 5.479 3.896 ( -3.079 -2.078 1.599) 4.045 3.966 ( 0.313 -0.739 3.018) 3.122 4.042 ( -1.350 5.754 -2.678) 6.489 4.138 ( -2.063 1.224 -0.141) 2.403 4.223 ( 4.168 0.631 4.274) 6.003 4.257 ( 0.775 1.912 0.624) 2.155 4.353 ( 5.825 1.098 -2.928) 6.611 4.360 ( 4.965 0.337 -7.420) 8.934 4.401 ( -3.049 -0.094 -4.782) 5.672 4.511 ( 1.475 2.770 0.260) 3.149 4.557 ( 0.883 0.188 1.196) 1.499 4.632 ( 2.860 -0.496 0.269) 2.916 4.652 ( -1.997 1.659 0.991) 2.779 4.709 ( -3.331 -1.757 1.090) 3.921 4.765 ( -1.363 10.990 -5.159) 12.217 4.932 ( 5.404 1.516 1.670) 5.856 4.962 ( -8.376 3.097 -7.245) 11.500 5.133 ( 2.111 0.696 -0.580) 2.297 5.186 ( -0.050 -1.174 1.119) 1.623 5.218 ( 0.539 -0.631 -0.094) 0.835 5.310 ( -5.048 -6.863 -3.513) 9.216 5.396 ( 2.973 3.283 1.498) 4.675 5.421 ( -0.050 -5.921 3.985) 7.138 5.488 ( 2.405 -15.317 2.380) 15.686 5.611 ( -5.424 3.772 1.547) 6.786 5.639 ( 2.847 -4.954 3.394) 6.646 5.889 ( -3.438 -3.355 3.657) 6.037 6.008 ( 1.576 3.539 -1.419) 4.125 6.034 ( 5.268 2.512 -7.979) 9.886 6.218 ( -3.184 -6.166 4.791) 8.432 6.406 ( 1.853 -10.172 1.551) 10.455 6.471 ( -2.198 3.733 -1.867) 4.717 6.629 ( 1.530 -6.336 -0.585) 6.544 6.737 ( 6.433 -1.021 -8.375) 10.610 6.806 ( 3.254 -8.714 -4.859) 10.495 6.915 ( -13.184 -8.988 4.981) 16.716 7.030 ( 0.342 -0.315 -2.517) 2.559 7.165 ( 3.710 -6.558 4.666) 8.862 7.214 ( -0.761 4.452 -4.436) 6.331 7.270 ( -0.088 -6.680 -5.183) 8.456 7.372 ( -4.953 -0.061 2.687) 5.635 7.494 ( -3.503 9.486 5.144) 11.346 7.528 ( -10.148 1.252 0.598) 10.243 7.578 ( 4.500 5.647 -2.037) 7.502 7.671 ( 7.984 0.313 5.192) 9.529 7.740 ( 5.203 5.358 1.632) 7.645 7.815 ( -0.144 -1.762 -0.253) 1.786 7.906 ( 4.708 3.679 -1.776) 6.233 7.976 ( -7.341 5.733 3.371) 9.906 8.108 ( 1.443 -3.227 -2.577) 4.375 8.238 ( -3.310 -1.839 7.582) 8.475 8.367 ( -4.380 5.241 -1.320) 6.956 8.401 ( 10.283 -2.883 3.996) 11.403 8.470 ( -7.392 -0.121 6.040) 9.547 8.552 ( -3.647 3.603 0.103) 5.128 8.627 ( 1.475 11.435 -14.654) 18.646 8.826 ( 4.664 -5.029 -4.496) 8.201 8.935 ( 0.866 -6.727 -0.947) 6.848 8.977 ( -2.221 -8.150 3.212) 9.037 9.103 ( -1.446 -2.432 -4.249) 5.105 9.288 ( -1.818 0.394 -3.350) 3.832 9.333 ( 2.962 -0.416 -3.644) 4.715 9.371 ( -2.323 1.638 1.263) 3.110 9.415 ( 1.564 0.368 3.052) 3.449 9.554 ( 7.631 7.148 5.190) 11.673 9.651 ( -8.207 6.107 -0.463) 10.241 9.800 ( -4.152 6.128 -3.668) 8.261 9.870 ( 0.996 -0.664 1.383) 1.829 9.938 ( -1.306 3.555 1.061) 3.933 9.961 ( -4.105 4.735 0.306) 6.274 10.035 ( 1.672 -2.835 -1.483) 3.610 10.113 ( 1.292 1.205 -1.848) 2.556 10.149 ( -2.425 2.746 -0.774) 3.745 10.225 ( 6.093 -2.480 6.640) 9.347 10.237 ( 2.418 2.928 -0.813) 3.884 10.388 ( 3.779 -0.218 -5.393) 6.589 10.479 ( -3.994 -0.854 7.154) 8.237 10.515 ( -0.015 0.771 1.711) 1.877 10.579 ( 0.008 -1.004 2.974) 3.139 10.717 ( -5.462 1.202 -0.585) 5.624 10.840 ( 0.568 5.628 -4.716) 7.364 10.915 ( 1.730 2.904 5.017) 6.049 10.990 ( -4.274 6.511 1.647) 7.961 11.054 ( -1.823 -6.793 5.256) 8.780 11.128 ( -2.682 -4.131 1.813) 5.248 11.246 ( -5.631 -0.536 -2.155) 6.053 11.344 ( -4.788 0.022 -6.963) 8.450 11.371 ( 4.272 -1.065 -1.069) 4.531 11.472 ( 1.410 -2.556 2.220) 3.668 11.539 ( 5.468 2.164 2.092) 6.242 11.579 ( 0.118 0.032 7.299) 7.300 11.771 ( 7.940 -6.620 1.025) 10.389 11.829 ( 1.345 -2.748 -2.494) 3.947 11.852 ( 0.362 -4.093 -1.704) 4.449 11.941 ( 2.659 -3.518 1.977) 4.833 11.968 ( 0.926 -8.851 0.137) 8.900 12.152 ( 0.856 0.826 -2.613) 2.871 12.185 ( -4.667 3.793 0.213) 6.018 12.316 ( -3.997 0.841 4.260) 5.902 12.358 ( 3.727 -1.470 -4.249) 5.840 12.421 ( 4.286 1.068 -5.223) 6.840 12.497 ( 0.832 -4.894 6.985) 8.569 12.618 ( 0.213 1.152 3.497) 3.688 12.820 ( 0.229 3.885 -9.973) 10.705 12.977 ( -0.094 0.265 -1.997) 2.017 12.990 ( -0.648 -5.656 -7.208) 9.185 13.093 ( -1.362 -4.650 -5.522) 7.347 13.152 ( -1.694 10.521 -4.706) 11.650 13.275 ( 1.585 4.243 -1.965) 4.937 13.353 ( 1.393 4.928 -5.118) 7.240 13.930 ( 1.715 -4.167 4.548) 6.403 13.966 ( 3.406 -0.259 4.810) 5.899 14.166 ( 5.765 -3.336 -0.105) 6.662 14.219 ( -0.770 -5.263 4.008) 6.660 14.369 ( -3.021 -2.689 -0.869) 4.137 14.483 ( -4.870 -2.256 2.578) 5.954 14.551 ( 7.683 1.379 5.766) 9.705 14.678 ( 2.182 1.887 -9.129) 9.574 14.763 ( -3.547 4.107 -10.660) 11.961 14.835 ( 0.668 5.413 -9.578) 11.022 15.266 ( -1.278 8.308 2.902) 8.892 15.561 ( -1.228 1.170 3.951) 4.300 15.639 ( -0.327 7.014 3.089) 7.671 15.853 ( -1.510 2.983 -0.191) 3.349 16.073 ( -2.258 -2.362 2.402) 4.055 16.306 ( 0.906 4.778 -2.495) 5.466 16.425 ( -4.625 -20.329 18.198) 27.674 16.633 ( 1.823 -3.191 1.224) 3.874 17.390 ( 0.101 0.623 3.701) 3.755 17.574 ( 0.254 -4.367 2.218) 4.904 17.754 ( -0.184 3.370 -5.717) 6.638 17.807 ( 0.254 0.112 -2.140) 2.158 20.744 ( 1.307 1.387 -0.209) 1.917 20.820 ( 3.048 3.044 -4.435) 6.183 20.964 ( -7.873 -2.013 0.726) 8.159 21.070 ( -1.964 -3.154 -2.322) 4.382 21.756 ( -1.518 4.178 4.522) 6.341 22.000 ( -0.713 -1.087 2.457) 2.780 22.052 ( 0.302 3.328 0.804) 3.437 22.236 ( -0.765 1.324 1.743) 2.319 22.447 ( 1.042 4.135 -4.394) 6.123 22.611 ( -2.486 12.709 -12.351) 17.896 22.788 ( 1.903 0.615 2.708) 3.367 22.932 ( -0.887 4.667 1.531) 4.991 23.202 ( 2.156 -0.244 2.350) 3.198 23.250 ( -0.997 -0.238 1.228) 1.599 23.615 ( 0.793 -2.837 2.421) 3.813 23.697 ( 2.115 -0.929 0.766) 2.434 23.983 ( 3.727 -0.766 -6.791) 7.784 24.090 ( -3.810 0.063 -5.239) 6.478 24.193 ( -0.358 -3.569 1.479) 3.880 24.365 ( -1.055 -8.370 -2.167) 8.710 24.789 ( 6.717 -6.560 10.248) 13.899 25.050 ( -0.754 -8.400 -2.675) 8.848 25.784 ( 1.798 7.560 11.145) 13.587 26.231 ( 7.446 2.761 -6.808) 10.461 26.449 ( 0.182 0.307 0.328) 0.485 26.479 ( -1.306 -0.444 0.014) 1.380 26.499 ( -2.381 -0.050 0.405) 2.416 26.577 ( -4.179 0.626 -4.326) 6.047 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 16.907 16.133 13.197) 26.838 1.472 ( 20.311 17.747 17.984) 32.418 1.716 ( -1.425 0.680 -9.180) 9.315 2.316 ( 5.092 -8.913 -3.459) 10.832 2.353 ( 15.924 27.191 8.398) 32.610 2.404 ( 7.878 1.659 -8.188) 11.483 2.589 ( 2.728 -5.037 15.288) 16.326 2.691 ( 5.782 0.655 1.050) 5.913 2.825 ( 3.937 0.916 2.056) 4.535 2.867 ( -0.498 -3.474 1.567) 3.844 2.978 ( -2.171 -5.263 0.050) 5.693 3.078 ( 7.404 10.417 3.910) 13.365 3.183 ( -2.809 -5.211 -5.042) 7.776 3.211 ( 1.505 -4.058 0.707) 4.386 3.296 ( 10.538 -2.209 -1.322) 10.848 3.480 ( 7.520 -1.803 3.835) 8.632 3.563 ( 10.676 1.803 4.137) 11.590 3.670 ( -2.716 -0.542 -2.086) 3.467 3.760 ( -9.846 0.580 -3.317) 10.406 3.820 ( 0.212 1.448 0.310) 1.496 3.866 ( -1.312 2.242 -0.504) 2.646 3.957 ( -6.209 -3.884 -0.836) 7.372 3.973 ( -1.313 0.280 3.414) 3.668 4.102 ( 1.573 3.024 -1.843) 3.875 4.173 ( -8.249 -0.377 -4.744) 9.523 4.235 ( 2.071 1.889 -1.559) 3.208 4.358 ( 5.695 -0.593 -1.286) 5.869 4.415 ( 1.853 1.273 -0.265) 2.264 4.487 ( -2.985 6.353 -1.848) 7.258 4.513 ( -3.681 -3.248 -0.353) 4.922 4.593 ( 0.364 4.666 3.471) 5.827 4.629 ( 4.246 -0.218 -1.416) 4.481 4.673 ( 3.189 8.088 -3.138) 9.243 4.749 ( -1.473 5.558 1.820) 6.031 4.840 ( 15.721 0.622 -7.333) 17.358 4.887 ( 6.206 -0.181 -2.347) 6.638 5.029 ( -1.074 -1.320 0.873) 1.912 5.098 ( -0.086 2.526 -9.523) 9.852 5.155 ( -1.240 -1.534 1.932) 2.761 5.225 ( 2.433 1.916 -2.906) 4.246 5.267 ( 6.740 -2.062 -0.569) 7.071 5.498 ( 2.083 -7.332 3.189) 8.262 5.520 ( 1.429 -2.711 5.498) 6.294 5.616 ( 6.427 -13.056 -2.754) 14.810 5.642 ( 9.985 2.976 0.504) 10.432 5.695 ( 1.061 1.301 4.218) 4.540 5.850 ( 1.189 11.586 -6.387) 13.284 5.976 ( 4.127 -5.039 -0.186) 6.516 6.095 ( -2.123 -1.273 -1.672) 2.987 6.134 ( -7.313 -4.366 5.605) 10.195 6.348 ( -2.130 -5.944 3.224) 7.090 6.481 ( -0.304 -4.659 1.613) 4.940 6.598 ( -3.861 -3.761 -8.152) 9.773 6.647 ( -13.018 -6.709 1.567) 14.728 6.764 ( 2.098 -4.860 -4.057) 6.670 6.836 ( -4.459 -3.495 -2.613) 6.239 6.900 ( -6.605 0.079 -4.475) 7.979 7.077 ( -6.901 -5.281 -1.191) 8.771 7.174 ( -13.853 0.712 -5.839) 15.050 7.245 ( 0.385 -2.219 9.649) 9.909 7.292 ( -4.168 3.429 3.014) 6.182 7.407 ( 0.849 6.157 2.196) 6.592 7.458 ( -3.394 -0.294 -0.672) 3.473 7.595 ( -4.309 -0.909 -0.800) 4.476 7.728 ( -0.624 9.213 1.121) 9.302 7.811 ( 2.611 1.918 -1.094) 3.420 7.867 ( -4.291 -0.239 8.823) 9.814 7.944 ( 7.906 -4.802 -4.230) 10.171 8.028 ( -3.687 0.626 -3.471) 5.103 8.065 ( -10.912 -1.374 2.912) 11.377 8.127 ( 5.302 11.502 2.927) 12.999 8.251 ( 0.934 2.768 -2.772) 4.027 8.421 ( -2.362 7.391 -2.797) 8.248 8.506 ( 0.688 4.026 1.865) 4.490 8.526 ( 0.950 4.400 0.827) 4.576 8.685 ( 9.113 -4.868 9.344) 13.930 8.842 ( -2.926 -9.802 -2.181) 10.459 8.892 ( -3.291 -2.960 -1.719) 4.748 8.982 ( -1.233 -9.053 5.542) 10.686 9.089 ( 0.297 -2.378 4.189) 4.826 9.162 ( -9.469 -0.578 -2.777) 9.885 9.234 ( -0.827 -5.035 -2.496) 5.680 9.326 ( -2.102 4.365 -0.959) 4.939 9.421 ( -3.647 1.057 -2.770) 4.700 9.568 ( -2.645 9.302 2.110) 9.898 9.673 ( -0.024 11.523 -0.085) 11.523 9.737 ( 1.428 3.218 5.976) 6.936 9.844 ( -3.803 1.089 2.762) 4.825 9.900 ( 1.125 0.822 -2.096) 2.517 9.955 ( -3.766 1.949 0.863) 4.327 10.115 ( -1.887 1.206 0.059) 2.240 10.127 ( 6.089 -0.346 -1.089) 6.195 10.170 ( 1.680 3.503 -2.832) 4.808 10.199 ( -0.844 0.358 -3.141) 3.272 10.259 ( -1.192 -5.210 -0.011) 5.344 10.388 ( -6.212 2.783 3.542) 7.673 10.428 ( -0.425 0.426 -1.204) 1.346 10.466 ( -4.645 -1.051 2.252) 5.268 10.593 ( -1.394 -1.959 0.412) 2.439 10.673 ( 3.009 0.348 -1.684) 3.466 10.777 ( -3.090 1.369 -3.876) 5.143 10.861 ( -6.547 3.584 5.050) 9.011 10.968 ( -6.938 -1.097 -1.532) 7.189 10.984 ( -0.706 5.827 3.610) 6.891 11.122 ( 5.255 1.184 -0.143) 5.389 11.166 ( -3.440 1.458 0.070) 3.737 11.238 ( -1.265 -2.032 -6.201) 6.646 11.421 ( -2.844 -2.351 0.963) 3.813 11.480 ( -0.851 5.008 1.733) 5.367 11.610 ( 4.183 -1.721 8.622) 9.736 11.645 ( 0.313 -0.315 1.860) 1.913 11.816 ( 0.611 -0.876 -3.756) 3.905 11.857 ( 1.820 -2.152 -4.375) 5.204 11.976 ( -2.827 0.572 -0.157) 2.888 12.041 ( 8.711 -9.231 -1.936) 12.839 12.081 ( 10.112 -10.696 -2.069) 14.864 12.202 ( 6.337 -2.351 2.999) 7.394 12.248 ( 3.314 1.244 1.898) 4.017 12.363 ( 10.882 -2.603 2.806) 11.536 12.429 ( 4.480 0.890 -1.737) 4.886 12.559 ( 10.424 -2.443 -7.066) 12.828 12.617 ( 5.463 -2.437 7.210) 9.368 12.723 ( 6.261 -4.070 0.115) 7.468 12.782 ( -0.131 -2.774 1.483) 3.148 12.945 ( -0.006 -5.732 -1.719) 5.984 12.996 ( 0.609 -3.085 -2.362) 3.933 13.098 ( 7.538 -4.605 -9.343) 12.858 13.200 ( 6.205 5.043 -5.803) 9.879 13.309 ( 3.458 11.397 -2.499) 12.169 13.408 ( 9.159 4.880 -8.360) 13.326 13.957 ( -0.569 -5.382 1.558) 5.631 14.047 ( 3.425 -1.334 -2.354) 4.365 14.184 ( -1.850 0.796 0.485) 2.071 14.287 ( 3.354 -4.988 -2.904) 6.675 14.378 ( 2.552 0.375 2.550) 3.627 14.451 ( -0.589 -3.620 5.258) 6.411 14.637 ( 1.691 1.930 -6.648) 7.126 14.753 ( 3.360 -1.258 -4.832) 6.018 14.775 ( 8.917 -0.743 -2.448) 9.276 14.827 ( 10.082 -0.729 -7.546) 12.615 15.272 ( -1.638 9.534 6.945) 11.909 15.487 ( -6.573 6.033 -1.092) 8.989 15.632 ( -3.621 4.263 5.769) 8.035 15.776 ( -5.705 4.918 -1.906) 7.770 16.054 ( -1.168 -4.687 3.162) 5.773 16.317 ( 0.681 0.892 -1.752) 2.080 16.362 ( -9.292 -9.005 11.313) 17.188 16.661 ( 0.260 -3.473 1.100) 3.653 17.364 ( -5.168 0.683 4.563) 6.927 17.544 ( -4.462 -4.409 2.292) 6.678 17.644 ( -6.360 3.372 -4.399) 8.436 17.731 ( -6.025 -0.412 -2.510) 6.540 20.770 ( 0.743 1.769 -0.950) 2.141 20.823 ( 2.530 3.147 -2.107) 4.555 21.005 ( 3.035 -4.754 -0.450) 5.659 21.069 ( 6.860 -3.467 -3.124) 8.297 21.754 ( -1.591 4.673 4.349) 6.579 22.011 ( 0.150 -1.080 1.435) 1.802 22.078 ( 1.471 4.803 1.054) 5.132 22.257 ( 2.161 3.797 1.553) 4.637 22.463 ( 3.176 7.314 -5.443) 9.655 22.523 ( -0.230 8.695 -5.497) 10.289 22.830 ( -0.837 0.405 3.976) 4.083 22.907 ( -1.269 3.433 0.600) 3.709 23.255 ( 1.958 0.738 1.696) 2.694 23.281 ( 2.646 -2.865 2.430) 4.595 23.650 ( 0.946 -1.576 0.988) 2.087 23.791 ( 4.347 -8.820 5.311) 11.175 23.947 ( -2.357 0.231 -6.877) 7.273 24.031 ( 4.125 0.797 -8.571) 9.545 24.194 ( -1.186 -1.759 2.535) 3.305 24.289 ( -4.451 -6.600 -3.177) 8.571 24.723 ( -14.016 -2.635 12.568) 19.009 24.916 ( -9.465 -8.351 -2.857) 12.942 25.717 ( -13.743 8.325 9.164) 18.498 25.974 ( -18.529 7.547 -1.910) 20.098 26.483 ( 3.013 0.229 0.440) 3.053 26.500 ( 2.932 0.711 -0.693) 3.096 26.572 ( 5.884 -2.515 0.762) 6.444 26.661 ( 8.125 -2.131 -4.828) 9.688 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 17.447 8.579 2.618) 19.617 1.628 ( 12.056 13.016 -4.862) 18.396 2.077 ( 19.382 4.803 16.172) 25.695 2.322 ( 1.080 -0.223 -2.810) 3.019 2.444 ( 3.269 7.226 -4.382) 9.061 2.487 ( 1.466 2.104 0.580) 2.629 2.702 ( -1.134 -6.304 2.936) 7.046 2.824 ( 1.684 -3.745 1.181) 4.272 2.859 ( 3.647 0.623 -2.833) 4.660 2.954 ( -2.253 -0.201 -4.891) 5.389 3.052 ( 9.274 1.339 5.044) 10.642 3.119 ( 0.806 -3.633 6.043) 7.097 3.214 ( 3.418 -4.913 -3.839) 7.111 3.372 ( 3.415 1.227 -3.255) 4.875 3.383 ( -0.304 -4.230 -6.432) 7.704 3.579 ( -6.046 3.709 3.379) 7.857 3.606 ( -1.388 -4.391 -0.220) 4.610 3.622 ( -0.736 -0.636 -2.612) 2.787 3.679 ( -6.480 -4.117 0.705) 7.710 3.747 ( -4.058 -8.050 0.772) 9.048 3.877 ( 11.139 1.786 -0.185) 11.283 3.958 ( 10.686 -1.873 5.538) 12.180 4.010 ( -2.059 3.493 -0.821) 4.137 4.078 ( 3.553 -0.191 -0.305) 3.571 4.183 ( 13.420 5.299 15.595) 21.246 4.311 ( -7.728 0.610 -0.814) 7.795 4.388 ( -3.404 2.650 -1.095) 4.451 4.427 ( 2.999 -0.722 -2.687) 4.091 4.439 ( 0.674 7.680 -1.015) 7.776 4.458 ( 6.192 3.732 1.509) 7.386 4.577 ( 0.517 6.013 2.425) 6.504 4.721 ( -2.345 5.090 5.038) 7.535 4.785 ( -7.249 5.196 2.774) 9.340 4.817 ( 12.464 10.058 -0.867) 16.039 4.862 ( 3.574 5.877 1.631) 7.069 4.936 ( 0.829 -2.702 -3.533) 4.524 5.096 ( 7.509 -1.177 -6.654) 10.102 5.118 ( 5.965 -0.959 -5.226) 7.988 5.179 ( 4.959 -2.437 -3.922) 6.776 5.344 ( 8.190 -1.616 -5.509) 10.002 5.459 ( 7.936 -2.395 0.303) 8.295 5.485 ( 3.557 3.739 -5.917) 7.852 5.575 ( 2.720 -5.429 1.120) 6.175 5.728 ( 5.461 -4.195 1.910) 7.146 5.754 ( 4.825 6.808 -0.623) 8.367 5.833 ( 3.881 1.929 -4.274) 6.087 5.887 ( 1.386 0.600 0.902) 1.759 5.941 ( -6.864 0.643 1.224) 7.002 6.033 ( 1.428 -4.102 -0.919) 4.439 6.156 ( 4.803 -5.049 0.204) 6.971 6.326 ( -11.127 -0.602 -0.918) 11.181 6.427 ( 0.579 -4.158 2.517) 4.895 6.553 ( 4.433 -12.165 -4.715) 13.779 6.567 ( 6.122 5.167 3.164) 8.614 6.614 ( -14.671 3.216 -2.759) 15.270 6.673 ( -5.705 -10.020 -4.007) 12.207 6.798 ( -7.703 2.293 -2.890) 8.541 6.824 ( -2.354 0.403 0.210) 2.398 7.041 ( -5.309 4.317 0.955) 6.909 7.144 ( -15.585 7.451 4.146) 17.766 7.176 ( -6.073 1.564 0.427) 6.285 7.301 ( -11.014 -3.025 -4.308) 12.207 7.467 ( -8.704 -2.194 4.373) 9.985 7.481 ( -4.404 2.242 5.683) 7.532 7.648 ( -11.204 0.101 -0.402) 11.212 7.704 ( -5.708 1.573 -0.708) 5.963 7.827 ( -4.991 -2.518 4.324) 7.067 7.843 ( 0.287 0.027 0.640) 0.702 8.071 ( 6.255 2.995 4.268) 8.143 8.160 ( 7.971 -1.012 -0.632) 8.060 8.279 ( 12.673 -1.054 -5.261) 13.762 8.359 ( 3.514 3.263 0.418) 4.814 8.449 ( 4.398 -2.267 1.234) 5.100 8.468 ( -0.435 0.688 -1.942) 2.106 8.574 ( -2.751 1.464 -3.480) 4.671 8.751 ( 1.846 -5.774 2.067) 6.405 8.819 ( -2.470 -2.181 4.847) 5.861 8.899 ( 4.034 -3.738 6.252) 8.326 8.984 ( -4.344 -0.415 -1.202) 4.526 9.011 ( -2.165 -4.300 6.366) 7.982 9.100 ( -2.960 -4.449 2.591) 5.939 9.196 ( -3.211 -4.133 -0.194) 5.237 9.283 ( -1.677 5.571 -1.177) 5.936 9.362 ( 2.156 -1.158 -3.564) 4.323 9.499 ( -4.765 7.322 -3.376) 9.366 9.641 ( -0.831 10.926 -0.149) 10.958 9.773 ( -1.042 -0.628 3.555) 3.758 9.830 ( -2.800 1.179 0.594) 3.096 9.847 ( -4.129 1.402 2.686) 5.121 9.901 ( -4.636 -0.828 -2.299) 5.241 10.024 ( -4.916 -0.149 -1.043) 5.028 10.026 ( -5.711 1.541 -1.584) 6.123 10.184 ( 1.339 -1.052 0.354) 1.740 10.237 ( -6.737 0.846 -0.150) 6.791 10.294 ( 6.265 2.745 -1.822) 7.078 10.319 ( -0.765 3.128 2.908) 4.339 10.382 ( 1.467 2.022 0.485) 2.544 10.479 ( 1.970 1.870 1.894) 3.311 10.585 ( -0.519 -0.361 -5.992) 6.025 10.680 ( 1.318 -3.156 -1.354) 3.679 10.739 ( 1.745 2.573 0.164) 3.113 10.779 ( -4.588 0.187 -3.035) 5.504 10.896 ( -3.034 -0.584 8.432) 8.980 11.003 ( -0.021 6.872 3.026) 7.509 11.109 ( -2.927 -0.484 2.261) 3.730 11.181 ( 2.537 -1.682 -6.259) 6.960 11.232 ( 3.112 5.516 0.289) 6.340 11.373 ( -0.990 -4.089 -2.795) 5.051 11.477 ( -1.120 1.485 2.609) 3.204 11.582 ( -5.059 -1.284 -1.489) 5.428 11.683 ( -1.376 3.621 4.281) 5.773 11.772 ( -4.350 -0.237 -1.137) 4.502 11.780 ( -3.061 0.820 -0.593) 3.224 12.059 ( 6.010 -9.515 -5.905) 12.709 12.161 ( 2.504 -8.247 -1.252) 8.709 12.226 ( 4.570 -3.209 0.388) 5.598 12.274 ( 9.345 -2.311 5.057) 10.874 12.382 ( 3.639 -0.256 0.337) 3.663 12.570 ( 8.485 4.826 0.768) 9.791 12.630 ( 6.928 -3.735 1.244) 7.969 12.655 ( 9.864 1.023 2.308) 10.182 12.726 ( 1.905 -7.478 0.506) 7.733 12.831 ( 7.810 -3.357 1.135) 8.577 12.889 ( 3.291 -3.875 -0.407) 5.100 12.960 ( 2.678 -3.943 1.904) 5.132 13.032 ( 4.435 -1.371 -0.981) 4.744 13.154 ( 4.665 -3.927 -9.128) 10.978 13.239 ( 0.032 2.757 -2.562) 3.764 13.379 ( 4.310 10.440 -0.703) 11.316 13.505 ( 4.894 5.391 -6.545) 9.790 13.971 ( 4.126 -7.167 -6.811) 10.713 14.119 ( 2.991 2.617 -6.702) 7.791 14.219 ( 7.372 0.201 6.739) 9.990 14.272 ( -1.881 -11.297 -3.199) 11.891 14.369 ( -1.117 0.947 -5.946) 6.124 14.478 ( -1.604 -3.253 -2.553) 4.436 14.661 ( 5.603 5.246 2.004) 7.933 14.798 ( 5.525 1.170 -4.167) 7.018 14.955 ( 2.269 -4.073 2.825) 5.451 15.021 ( 14.261 -2.109 -2.878) 14.700 15.238 ( -6.915 5.353 -0.814) 8.782 15.372 ( -2.727 8.156 6.655) 10.874 15.566 ( -6.958 2.547 1.644) 7.590 15.634 ( -5.919 6.855 0.438) 9.067 16.054 ( -3.413 -5.315 6.096) 8.778 16.207 ( -7.833 -5.444 5.283) 10.904 16.361 ( 2.343 3.041 -2.057) 4.355 16.657 ( -0.762 -3.934 -0.529) 4.042 17.271 ( -6.771 0.673 4.581) 8.202 17.451 ( -5.555 -4.337 0.817) 7.095 17.488 ( -6.314 1.700 -2.697) 7.074 17.572 ( -7.385 -0.638 -2.713) 7.894 20.783 ( 1.603 1.199 -1.203) 2.336 20.873 ( 3.072 1.646 -2.156) 4.098 21.042 ( 1.681 -4.800 2.621) 5.721 21.227 ( 8.660 -6.615 -2.084) 11.095 21.756 ( -0.904 6.307 4.088) 7.570 22.016 ( 0.564 0.692 -1.346) 1.615 22.124 ( 1.297 4.663 4.329) 6.494 22.334 ( 3.912 4.852 2.032) 6.555 22.474 ( 1.204 8.643 -3.916) 9.564 22.515 ( 0.941 0.527 -2.813) 3.013 22.792 ( -3.383 4.162 1.664) 5.616 22.922 ( 1.198 3.952 0.618) 4.175 23.312 ( 3.559 -4.130 -2.137) 5.856 23.366 ( 4.374 -2.693 3.349) 6.132 23.644 ( -1.462 -4.013 -2.616) 5.009 23.832 ( 0.072 -0.467 -6.597) 6.614 23.905 ( -1.099 -9.291 2.132) 9.596 24.071 ( -0.770 -4.293 -1.814) 4.723 24.194 ( -1.346 0.008 -0.446) 1.418 24.210 ( 4.347 1.113 -2.085) 4.948 24.558 ( -9.226 2.047 11.282) 14.717 24.728 ( -6.655 -5.581 -0.585) 8.705 25.436 ( -19.059 8.992 6.865) 22.164 25.603 ( -17.341 5.117 -4.096) 18.538 26.551 ( 3.203 0.045 0.503) 3.242 26.568 ( 3.923 0.543 -0.824) 4.045 26.668 ( 2.938 -1.913 2.212) 4.146 26.767 ( 5.416 -3.209 -3.538) 7.221 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 8.909 9.625 4.501) 13.866 2.008 ( 16.102 5.684 1.219) 17.119 2.263 ( 0.130 -3.101 3.794) 4.902 2.395 ( -1.065 -4.292 0.483) 4.449 2.483 ( 3.065 0.904 -0.107) 3.197 2.644 ( -1.467 2.181 8.238) 8.647 2.674 ( 3.705 2.579 -2.477) 5.149 2.761 ( -11.171 1.664 1.300) 11.369 2.870 ( 8.656 4.884 5.539) 11.379 2.967 ( -1.564 -0.075 -0.276) 1.590 3.022 ( -8.499 2.299 -1.131) 8.877 3.160 ( 1.655 3.487 -7.048) 8.036 3.233 ( 2.678 -1.793 2.183) 3.893 3.325 ( 2.140 -3.294 -1.276) 4.130 3.422 ( 2.653 -5.134 1.129) 5.888 3.479 ( -0.430 -4.058 -2.216) 4.643 3.561 ( -0.908 -5.697 2.154) 6.158 3.610 ( 1.859 -13.171 1.442) 13.379 3.692 ( 7.048 -6.702 0.372) 9.733 3.725 ( 0.762 -6.243 -0.324) 6.297 3.958 ( -2.325 0.466 1.117) 2.621 4.019 ( -0.240 2.871 2.851) 4.054 4.098 ( -3.277 2.054 -4.687) 6.077 4.125 ( 0.418 0.624 -1.296) 1.498 4.171 ( -2.722 -1.519 3.002) 4.327 4.383 ( 1.845 6.107 -3.987) 7.523 4.392 ( 1.118 4.281 -4.067) 6.010 4.491 ( 2.546 10.439 0.902) 10.783 4.544 ( 2.851 9.380 1.093) 9.864 4.591 ( 0.688 -0.811 0.289) 1.103 4.625 ( -6.205 5.757 0.500) 8.479 4.701 ( -1.961 7.129 2.287) 7.740 4.728 ( 12.788 -3.042 11.704) 17.600 4.840 ( -6.044 0.792 7.551) 9.705 4.943 ( -4.466 -0.832 0.964) 4.644 5.035 ( 8.099 1.693 -2.847) 8.750 5.184 ( 5.014 -0.356 -6.115) 7.916 5.229 ( -0.090 6.795 2.467) 7.230 5.304 ( 4.563 2.219 -5.251) 7.302 5.379 ( 8.705 -0.686 -4.460) 9.805 5.512 ( 1.564 0.358 -1.690) 2.330 5.550 ( -7.568 2.358 -6.216) 10.074 5.604 ( -1.372 1.364 -2.645) 3.277 5.662 ( 6.380 -1.299 -4.156) 7.724 5.795 ( -1.613 1.413 0.706) 2.257 5.876 ( 7.922 0.440 1.915) 8.162 5.942 ( 0.171 1.166 2.162) 2.462 5.996 ( 9.824 0.222 -0.553) 9.842 6.055 ( 1.435 -2.411 0.191) 2.812 6.138 ( 7.195 -0.534 -0.165) 7.217 6.255 ( 0.317 -4.095 -4.234) 5.899 6.425 ( -6.837 -2.826 6.185) 9.643 6.459 ( -0.042 7.942 -1.644) 8.111 6.546 ( -2.208 0.954 0.163) 2.411 6.656 ( -2.402 -1.767 -0.150) 2.986 6.711 ( -2.244 5.637 2.616) 6.607 6.766 ( 4.972 -3.432 -3.595) 7.030 6.796 ( -2.258 -0.408 -4.905) 5.415 6.858 ( -4.293 1.452 -0.286) 4.541 6.933 ( -0.007 3.481 1.259) 3.702 7.010 ( -10.253 -0.918 -5.493) 11.668 7.156 ( -13.301 2.301 -0.776) 13.521 7.180 ( -0.107 1.270 0.548) 1.387 7.397 ( -6.791 -1.580 4.780) 8.453 7.507 ( -8.813 -4.592 3.971) 10.702 7.646 ( -0.117 0.304 -3.081) 3.098 7.736 ( -3.947 -6.596 -0.174) 7.689 7.812 ( -2.528 -1.003 -0.470) 2.760 8.245 ( 3.740 -3.707 3.564) 6.358 8.321 ( 5.941 -2.466 5.088) 8.202 8.373 ( 1.234 2.233 1.294) 2.861 8.429 ( 2.791 2.922 3.334) 5.238 8.476 ( 1.689 -2.952 3.025) 4.551 8.507 ( 5.443 -3.064 -1.661) 6.463 8.621 ( 6.172 -1.326 -1.930) 6.601 8.764 ( -4.353 2.728 4.479) 6.815 8.888 ( 4.961 -5.962 1.477) 7.895 8.923 ( -1.839 -1.205 -0.514) 2.259 8.950 ( -2.887 -1.344 5.245) 6.136 8.993 ( -3.866 -3.946 -1.772) 5.802 9.062 ( 0.402 -4.381 4.973) 6.640 9.138 ( -2.360 -2.900 1.673) 4.096 9.253 ( 0.433 4.964 -2.181) 5.439 9.415 ( 1.468 5.512 -3.651) 6.773 9.424 ( 0.077 -1.346 2.492) 2.833 9.607 ( -2.154 5.885 -3.421) 7.140 9.686 ( -4.494 0.062 -4.341) 6.248 9.751 ( -3.988 3.041 -1.461) 5.224 9.799 ( -2.177 2.590 -1.263) 3.612 9.838 ( -0.394 -0.465 4.441) 4.482 9.910 ( -4.106 0.639 -0.104) 4.157 9.995 ( -0.508 -0.659 3.065) 3.176 10.134 ( 0.239 -0.938 -2.240) 2.440 10.244 ( 0.264 2.724 3.229) 4.232 10.280 ( -0.587 6.684 1.780) 6.942 10.406 ( 1.578 -1.778 -0.688) 2.475 10.433 ( 4.888 3.175 -2.995) 6.553 10.479 ( -5.203 -0.468 0.014) 5.224 10.565 ( 0.699 0.826 -0.441) 1.169 10.663 ( -0.008 2.394 -0.698) 2.494 10.717 ( -0.166 6.576 -5.263) 8.425 10.779 ( 1.944 -4.162 2.995) 5.483 10.910 ( -1.011 -0.714 6.354) 6.474 11.015 ( -1.436 3.045 2.784) 4.369 11.082 ( -1.797 -1.217 1.259) 2.509 11.220 ( 2.665 3.121 -3.392) 5.325 11.259 ( 1.303 0.630 -4.297) 4.534 11.357 ( 3.012 -4.173 -4.715) 6.980 11.443 ( -1.940 -3.857 0.313) 4.328 11.537 ( 0.666 -1.419 1.768) 2.362 11.643 ( -4.333 3.529 -1.971) 5.926 11.667 ( -4.013 2.044 9.630) 10.631 11.791 ( 3.300 -0.049 -5.956) 6.809 12.032 ( -3.133 -4.871 -7.827) 9.737 12.175 ( -0.441 -6.001 0.860) 6.079 12.289 ( 4.092 -1.682 3.082) 5.392 12.440 ( 1.410 -2.458 3.645) 4.617 12.471 ( -1.100 -4.981 7.210) 8.832 12.687 ( 2.188 5.247 0.361) 5.697 12.707 ( 3.095 -6.085 0.122) 6.828 12.754 ( 5.112 -7.470 2.253) 9.328 12.844 ( -3.113 -2.469 -1.061) 4.112 12.937 ( 8.293 -1.058 0.397) 8.369 12.948 ( 2.552 -3.659 -1.693) 4.772 13.043 ( 4.506 3.826 0.440) 5.927 13.080 ( -3.417 -0.385 -3.502) 4.908 13.180 ( 3.053 2.239 -3.069) 4.873 13.215 ( 4.161 -0.495 -3.073) 5.196 13.457 ( 2.021 4.395 1.870) 5.186 13.580 ( 6.019 7.702 -0.619) 9.794 13.966 ( 0.041 2.226 -6.868) 7.219 14.118 ( 3.312 3.528 -19.746) 20.330 14.218 ( -1.830 -14.389 -1.970) 14.639 14.301 ( 0.592 -2.651 -0.815) 2.835 14.396 ( -0.800 -6.599 -0.992) 6.721 14.441 ( 5.204 -0.832 2.595) 5.874 14.796 ( 0.570 8.772 2.762) 9.214 14.862 ( 4.281 2.781 -2.641) 5.748 14.924 ( -5.716 -5.727 1.841) 8.298 15.117 ( 0.984 4.015 -1.035) 4.261 15.263 ( 8.076 0.031 2.122) 8.350 15.379 ( -6.654 -4.344 -3.766) 8.794 15.444 ( 2.047 8.959 8.679) 12.641 15.588 ( -1.775 5.636 3.723) 6.984 15.954 ( -9.757 -1.462 8.494) 13.018 16.164 ( -0.643 -5.106 2.229) 5.609 16.387 ( 1.600 2.547 -2.153) 3.699 16.633 ( -0.488 -3.684 -2.570) 4.518 17.178 ( -4.821 0.769 2.862) 5.660 17.362 ( -2.698 -3.635 -1.276) 4.703 17.393 ( -1.745 -0.164 -0.947) 1.992 17.455 ( -2.353 -0.595 -1.656) 2.939 20.811 ( 1.528 0.859 -0.422) 1.803 20.902 ( 1.341 1.258 -2.684) 3.254 21.102 ( 1.147 -5.386 6.411) 8.452 21.357 ( 5.094 -9.300 0.621) 10.622 21.772 ( -0.284 7.641 4.224) 8.736 22.023 ( 0.983 1.656 -1.650) 2.536 22.175 ( 0.152 4.284 6.514) 7.798 22.402 ( 0.327 5.342 1.122) 5.468 22.480 ( 2.811 2.257 -1.259) 3.818 22.514 ( 0.697 0.454 -0.678) 1.073 22.747 ( -1.904 7.713 -0.215) 7.948 22.932 ( -0.047 6.562 -1.292) 6.688 23.338 ( 1.823 -8.338 -8.106) 11.771 23.474 ( 2.450 -1.206 0.617) 2.799 23.558 ( -3.924 -6.434 -4.522) 8.789 23.777 ( -0.313 1.153 -6.228) 6.341 23.878 ( -1.783 -8.190 2.928) 8.879 24.020 ( -0.444 -2.316 -2.637) 3.537 24.142 ( -4.226 -0.588 3.639) 5.608 24.342 ( 7.370 -3.789 -4.620) 9.488 24.526 ( -2.086 5.718 7.463) 9.631 24.695 ( 1.626 0.834 2.861) 3.395 25.113 ( -16.164 7.977 4.689) 18.625 25.308 ( -6.699 1.844 -4.885) 8.493 26.599 ( 1.155 -0.018 0.350) 1.207 26.625 ( 2.189 -0.020 -0.811) 2.335 26.711 ( -0.061 -0.999 2.075) 2.304 26.828 ( 2.733 -3.058 -2.053) 4.587 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.088 5.340 9.862) 11.267 2.118 ( -13.702 -0.516 1.830) 13.833 2.209 ( -26.235 7.753 -1.229) 27.384 2.293 ( 4.272 1.357 4.362) 6.255 2.440 ( 4.565 -3.370 0.055) 5.675 2.549 ( -2.694 1.836 -1.562) 3.615 2.591 ( -8.053 7.022 1.211) 10.752 2.715 ( -2.933 -0.294 0.198) 2.954 2.800 ( 3.155 1.609 0.244) 3.550 3.065 ( -0.944 -6.518 3.355) 7.391 3.146 ( 1.671 -9.165 -4.969) 10.558 3.207 ( 10.535 3.319 4.979) 12.116 3.316 ( 2.522 1.747 7.748) 8.333 3.422 ( 6.291 0.433 -0.573) 6.332 3.462 ( 5.368 -6.242 -1.635) 8.393 3.544 ( 6.392 -2.999 2.182) 7.390 3.594 ( 0.783 -2.039 1.234) 2.508 3.696 ( 2.750 -4.493 -2.270) 5.736 3.746 ( -5.149 -0.772 2.222) 5.661 3.801 ( -0.312 -2.684 -2.514) 3.691 3.858 ( -4.626 -4.031 2.148) 6.501 3.969 ( -8.077 -3.746 -5.582) 10.508 4.003 ( 0.639 0.955 2.355) 2.621 4.121 ( 1.932 -0.601 -0.592) 2.108 4.160 ( 0.604 0.391 5.359) 5.407 4.271 ( -13.708 7.205 -0.615) 15.498 4.365 ( -10.146 6.090 -3.374) 12.305 4.448 ( -1.057 -0.082 -1.739) 2.037 4.492 ( -1.238 8.897 -5.524) 10.545 4.560 ( -3.945 4.061 4.018) 6.942 4.588 ( -1.378 1.112 -3.159) 3.622 4.638 ( -4.015 4.837 0.332) 6.295 4.693 ( -2.693 5.752 3.322) 7.168 4.754 ( -2.251 8.881 4.581) 10.243 4.962 ( 0.619 -7.594 -2.885) 8.147 5.077 ( -2.478 1.124 0.210) 2.729 5.142 ( 0.514 -4.624 -4.098) 6.200 5.225 ( 4.521 6.418 -1.284) 7.955 5.344 ( -1.524 1.671 -4.925) 5.420 5.367 ( -3.747 2.871 0.308) 4.731 5.474 ( 0.848 5.169 -5.966) 7.939 5.614 ( 0.456 -1.846 -3.210) 3.731 5.624 ( 0.543 -5.527 3.174) 6.397 5.732 ( -1.933 0.898 4.998) 5.434 5.808 ( 3.788 -0.032 -0.327) 3.802 5.933 ( -0.075 -4.619 2.320) 5.169 5.979 ( -0.487 2.141 -3.829) 4.414 6.108 ( -9.238 2.382 0.434) 9.550 6.166 ( -1.726 -1.770 -1.348) 2.816 6.227 ( -2.941 3.597 2.629) 5.338 6.283 ( 6.331 -1.451 8.463) 10.668 6.381 ( -0.647 0.814 -1.103) 1.515 6.435 ( -1.657 3.478 0.552) 3.892 6.538 ( 5.432 -1.838 4.253) 7.140 6.591 ( 6.199 1.754 -6.379) 9.066 6.659 ( 5.620 3.599 -7.121) 9.759 6.716 ( 4.428 1.006 -2.030) 4.974 6.789 ( 5.565 1.359 -0.202) 5.732 6.899 ( -0.325 7.680 -2.143) 7.980 6.962 ( 2.375 -5.568 1.787) 6.311 6.983 ( 6.509 5.132 3.354) 8.942 7.088 ( 2.443 -2.308 -9.138) 9.736 7.238 ( 5.872 -1.792 1.668) 6.362 7.326 ( -0.910 -3.298 3.292) 4.748 7.394 ( -1.558 -2.339 0.201) 2.817 7.615 ( -0.596 1.250 -2.956) 3.264 7.734 ( 2.186 -3.840 0.016) 4.419 7.802 ( 2.615 -1.477 -0.993) 3.163 8.296 ( -2.780 -2.979 2.953) 5.032 8.324 ( -0.308 -0.913 2.862) 3.020 8.444 ( -3.011 0.256 0.728) 3.109 8.476 ( -2.841 -5.396 4.145) 7.374 8.530 ( -2.585 0.066 -1.909) 3.214 8.574 ( 4.376 -1.511 9.764) 10.806 8.707 ( -2.187 1.628 5.094) 5.777 8.738 ( -0.926 -0.370 3.406) 3.549 8.809 ( -4.475 2.298 0.250) 5.037 8.873 ( 0.481 -8.977 -0.274) 8.994 8.971 ( 2.267 -2.528 -1.020) 3.546 9.037 ( 2.364 -1.358 3.982) 4.826 9.071 ( -0.684 -4.233 0.697) 4.344 9.107 ( -3.119 -4.038 3.607) 6.249 9.309 ( 6.493 3.949 -0.523) 7.617 9.361 ( -2.772 3.138 -0.507) 4.218 9.470 ( 1.350 4.444 0.187) 4.648 9.567 ( -1.429 1.298 -7.020) 7.281 9.647 ( 2.304 1.072 -3.619) 4.422 9.688 ( 2.547 3.366 -2.336) 4.825 9.751 ( -1.190 4.424 0.974) 4.683 9.871 ( 4.556 -0.438 0.755) 4.639 9.944 ( 2.069 -1.149 0.519) 2.423 10.016 ( 1.613 0.427 2.128) 2.704 10.161 ( 3.209 0.179 0.341) 3.232 10.270 ( -4.923 4.184 -2.180) 6.819 10.304 ( -2.802 1.409 2.449) 3.979 10.306 ( -1.165 2.268 5.634) 6.184 10.416 ( 1.148 -1.250 -2.138) 2.730 10.511 ( 4.576 3.120 -3.172) 6.382 10.543 ( 1.369 -2.585 -3.201) 4.336 10.655 ( -2.637 8.421 -3.185) 9.382 10.782 ( -2.263 -0.547 -0.671) 2.423 10.804 ( 6.142 0.945 6.270) 8.828 10.902 ( -5.281 1.146 0.647) 5.442 10.975 ( 1.388 -0.752 4.183) 4.471 11.058 ( -3.305 0.607 2.165) 3.998 11.218 ( 0.928 4.758 -2.285) 5.359 11.262 ( 2.848 -2.953 -3.562) 5.433 11.406 ( 0.370 -1.709 -1.820) 2.523 11.442 ( 1.552 -0.844 -0.414) 1.815 11.532 ( -2.257 -1.083 -4.492) 5.143 11.628 ( 7.087 -4.719 1.174) 8.595 11.740 ( 2.433 1.446 12.088) 12.415 11.782 ( -3.147 -5.904 -3.746) 7.668 11.916 ( 1.304 4.559 -12.380) 13.257 12.160 ( -1.854 -3.700 0.707) 4.198 12.382 ( -1.425 -6.002 5.122) 8.018 12.418 ( -1.662 -0.676 2.997) 3.493 12.460 ( -4.291 -4.451 7.291) 9.560 12.638 ( -6.189 1.362 -2.986) 7.005 12.707 ( -5.366 -4.243 0.909) 6.901 12.772 ( -1.713 -3.158 4.734) 5.943 12.825 ( -9.863 -1.271 -4.035) 10.732 12.883 ( 2.631 1.110 -0.451) 2.891 12.913 ( -4.670 -3.935 -3.641) 7.110 13.004 ( -2.482 -5.040 -2.399) 6.109 13.201 ( 7.103 1.854 1.032) 7.413 13.219 ( 0.311 2.193 0.402) 2.251 13.291 ( 2.658 -4.681 -1.151) 5.505 13.442 ( -3.349 8.111 -0.010) 8.775 13.689 ( 3.088 8.446 4.289) 9.963 13.920 ( -0.708 5.391 -9.678) 11.100 13.988 ( -0.201 2.667 -17.369) 17.573 14.208 ( 1.320 -11.036 -3.195) 11.565 14.251 ( -7.201 3.777 -3.081) 8.695 14.378 ( 3.443 -8.063 -3.050) 9.283 14.565 ( 4.107 3.622 3.674) 6.594 14.746 ( -4.432 0.061 2.660) 5.169 14.806 ( -3.156 -2.486 -6.015) 7.234 14.967 ( 2.626 -4.215 4.982) 7.034 15.145 ( -1.152 -1.801 -2.195) 3.064 15.227 ( -0.221 1.005 1.410) 1.746 15.449 ( 4.432 -7.165 1.362) 8.534 15.557 ( 2.124 8.385 2.478) 8.998 15.602 ( 4.037 7.563 -0.054) 8.573 15.873 ( -4.620 0.453 16.294) 16.943 16.162 ( -1.577 -5.850 2.752) 6.655 16.392 ( 0.323 3.250 -2.266) 3.975 16.606 ( 0.043 -2.710 -4.480) 5.236 17.139 ( -0.037 0.815 1.116) 1.382 17.348 ( 1.507 -5.281 0.108) 5.493 17.420 ( 5.609 0.651 -1.940) 5.971 17.466 ( 4.011 -0.283 -0.627) 4.069 20.826 ( -0.142 1.007 0.403) 1.094 20.885 ( -1.177 1.954 -3.117) 3.862 21.159 ( -0.401 -6.117 7.767) 9.895 21.433 ( 1.700 -12.841 2.217) 13.141 21.787 ( -1.507 6.907 4.622) 8.447 22.027 ( 0.480 2.342 -1.293) 2.718 22.206 ( -1.738 1.919 6.829) 7.303 22.367 ( -2.961 1.225 -0.386) 3.228 22.525 ( 2.078 0.905 -0.458) 2.313 22.587 ( 5.399 4.344 0.952) 6.995 22.714 ( -1.291 8.936 1.970) 9.241 22.914 ( -0.563 8.157 -1.595) 8.330 23.260 ( -2.485 -7.610 -11.339) 13.880 23.389 ( -3.456 0.324 -10.705) 11.253 23.476 ( -4.790 -2.587 1.438) 5.630 23.792 ( 0.052 -7.614 2.410) 7.986 23.880 ( 2.842 5.155 -8.429) 10.281 24.029 ( 2.468 -1.549 -1.994) 3.531 24.116 ( -0.505 -3.076 6.604) 7.303 24.411 ( -2.563 1.752 -0.028) 3.104 24.490 ( 0.968 -3.696 -0.270) 3.830 24.677 ( -9.294 -0.897 7.386) 11.905 25.023 ( 8.584 12.492 -0.383) 15.162 25.363 ( 12.668 0.424 -1.734) 12.793 26.595 ( -1.747 0.142 0.118) 1.757 26.638 ( -0.385 -0.687 -0.646) 1.019 26.692 ( -3.022 -0.184 1.559) 3.406 26.849 ( 0.590 -3.551 -1.233) 3.805 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -32.266 13.214 -1.564) 34.902 1.687 ( -27.133 15.852 4.815) 31.791 1.958 ( 0.016 -1.116 5.484) 5.596 2.354 ( -3.610 -3.618 -9.195) 10.520 2.403 ( 0.620 4.482 4.612) 6.461 2.521 ( -5.851 -3.492 2.650) 7.311 2.613 ( 0.913 4.587 0.084) 4.678 2.724 ( 2.736 -3.977 6.741) 8.291 2.771 ( -11.893 0.415 0.780) 11.926 2.935 ( -16.512 3.057 -2.152) 16.930 3.053 ( -8.649 -4.809 -0.514) 9.909 3.162 ( -12.654 4.532 -1.445) 13.519 3.342 ( 2.448 -5.813 1.930) 6.595 3.432 ( -3.853 -2.708 4.404) 6.448 3.509 ( -2.152 -4.057 -5.413) 7.099 3.538 ( -3.704 -1.925 -4.717) 6.299 3.569 ( -5.561 -1.991 0.963) 5.984 3.652 ( -2.138 -1.569 4.753) 5.443 3.735 ( 7.450 -0.010 -2.223) 7.775 3.755 ( 5.238 2.730 0.284) 5.914 3.834 ( -6.136 1.864 0.022) 6.413 3.885 ( 6.299 3.245 4.991) 8.667 4.102 ( 2.370 -2.313 -6.135) 6.972 4.114 ( 1.400 1.194 6.024) 6.299 4.215 ( 2.844 5.432 1.017) 6.215 4.254 ( -3.390 -0.004 -1.080) 3.557 4.327 ( 3.506 -1.399 2.783) 4.690 4.387 ( 2.141 1.693 -1.253) 3.003 4.410 ( 0.124 2.405 1.506) 2.840 4.493 ( -4.288 1.855 0.873) 4.753 4.518 ( 0.254 -2.037 -5.901) 6.248 4.606 ( -0.788 8.720 -1.627) 8.906 4.763 ( -7.377 -5.101 -1.438) 9.083 4.783 ( -1.553 8.807 1.443) 9.059 4.859 ( 9.877 2.213 1.275) 10.202 5.020 ( -5.694 5.502 0.270) 7.922 5.053 ( -9.681 1.074 -0.243) 9.743 5.186 ( -6.071 -4.690 0.412) 7.683 5.308 ( 1.507 4.404 -1.972) 5.055 5.354 ( 0.770 -8.277 -1.297) 8.413 5.457 ( -3.564 1.353 -0.361) 3.830 5.522 ( 3.683 0.655 -9.999) 10.675 5.617 ( -7.423 -7.185 4.405) 11.231 5.702 ( -7.919 -2.733 1.440) 8.500 5.754 ( -10.212 1.433 -1.849) 10.476 5.802 ( -10.763 -2.511 1.396) 11.140 5.969 ( 0.581 -3.547 -3.400) 4.948 6.014 ( 2.877 1.047 0.413) 3.089 6.052 ( -3.437 3.460 -3.955) 6.279 6.137 ( -7.530 6.506 4.218) 10.808 6.257 ( -7.257 1.396 1.721) 7.587 6.315 ( 8.023 -1.024 -0.166) 8.089 6.485 ( 4.949 -6.432 -1.498) 8.253 6.669 ( 6.194 -2.474 -1.131) 6.765 6.721 ( 8.824 -3.872 5.456) 11.073 6.805 ( -5.813 -0.469 -6.803) 8.961 6.912 ( 8.615 -0.025 3.174) 9.181 6.968 ( 8.642 3.188 0.608) 9.231 7.049 ( 15.600 4.798 -9.218) 18.745 7.115 ( 17.816 2.401 4.478) 18.526 7.169 ( 12.668 -0.358 10.417) 16.405 7.182 ( 8.756 5.995 -4.113) 11.381 7.284 ( 0.987 3.282 -0.003) 3.427 7.360 ( 4.838 -1.996 -7.469) 9.120 7.536 ( 8.865 -7.164 4.091) 12.109 7.601 ( 2.055 4.124 0.651) 4.654 7.795 ( 0.727 -3.364 1.157) 3.631 7.866 ( 5.729 0.775 -0.055) 5.782 8.193 ( -7.738 3.081 2.707) 8.758 8.263 ( -11.563 2.736 -2.790) 12.206 8.328 ( -7.081 1.787 -2.596) 7.751 8.377 ( -2.486 -2.673 3.653) 5.164 8.460 ( -5.638 -1.832 -0.977) 6.008 8.588 ( -5.877 0.881 2.162) 6.324 8.630 ( -4.873 -8.427 6.343) 11.619 8.715 ( -2.821 2.800 3.722) 5.446 8.835 ( 1.498 -9.341 4.944) 10.674 8.956 ( 2.921 -6.110 0.245) 6.777 8.983 ( -4.229 -1.288 -1.107) 4.558 9.040 ( 4.019 -1.189 0.777) 4.263 9.125 ( 5.402 2.404 6.204) 8.570 9.173 ( 4.890 -0.653 3.507) 6.053 9.323 ( -0.477 3.469 -5.983) 6.933 9.422 ( 2.595 2.762 -1.133) 3.956 9.450 ( -5.824 -0.456 -1.709) 6.087 9.531 ( 7.179 6.765 0.323) 9.869 9.605 ( 0.679 2.981 -2.452) 3.919 9.750 ( 2.240 6.970 1.262) 7.429 9.891 ( 5.595 -4.189 2.134) 7.308 9.918 ( -0.900 -4.317 -5.021) 6.683 10.006 ( 8.341 -0.429 3.425) 9.027 10.125 ( -0.399 4.853 -5.508) 7.352 10.135 ( 7.344 3.814 4.485) 9.413 10.244 ( -2.074 -0.609 2.082) 3.001 10.282 ( 4.565 -1.173 -2.455) 5.314 10.352 ( -0.573 2.697 4.086) 4.929 10.463 ( 4.826 -1.740 -3.319) 6.111 10.508 ( -3.929 0.181 -2.393) 4.605 10.544 ( -5.694 5.661 2.531) 8.419 10.587 ( -0.034 2.453 0.863) 2.600 10.720 ( 1.415 5.919 -5.818) 8.419 10.847 ( 1.020 1.666 3.765) 4.242 10.955 ( -3.922 1.948 1.042) 4.501 10.988 ( 6.081 -1.526 4.656) 7.810 11.098 ( 5.647 -1.168 1.944) 6.085 11.242 ( 0.953 2.715 1.483) 3.237 11.317 ( 1.008 1.945 -0.690) 2.297 11.375 ( 2.171 -1.956 -5.048) 5.833 11.446 ( -0.063 -0.237 -0.013) 0.246 11.484 ( -2.827 -6.685 -0.061) 7.259 11.690 ( -1.494 0.306 -0.319) 1.558 11.761 ( 3.277 -8.279 0.198) 8.906 11.859 ( 2.968 2.072 2.049) 4.159 11.927 ( 4.778 2.306 -6.339) 8.266 12.100 ( -3.587 -2.711 -3.170) 5.501 12.282 ( -8.253 -6.415 1.172) 10.518 12.380 ( -10.162 -3.048 3.757) 11.255 12.395 ( -7.680 1.044 0.597) 7.774 12.427 ( -10.472 -1.724 5.943) 12.163 12.543 ( -6.835 -1.582 -0.418) 7.028 12.657 ( -6.938 -3.512 -2.359) 8.126 12.712 ( -7.931 -1.067 -3.142) 8.597 12.810 ( -6.364 -6.866 1.016) 9.417 12.904 ( 0.426 2.524 2.979) 3.927 12.930 ( 0.587 -3.200 -1.449) 3.562 13.176 ( -6.032 -2.022 3.767) 7.393 13.259 ( -1.078 0.464 -3.882) 4.055 13.303 ( 2.752 0.279 -3.069) 4.131 13.374 ( -3.916 4.755 -1.972) 6.468 13.727 ( -4.421 3.008 -4.064) 6.716 13.834 ( 3.352 4.396 -7.506) 9.322 13.912 ( 1.729 5.530 -9.735) 11.329 14.139 ( -0.549 3.594 -2.362) 4.335 14.197 ( -2.209 -9.766 -2.762) 10.387 14.412 ( -0.528 -8.097 0.927) 8.167 14.564 ( -6.720 -5.146 0.839) 8.506 14.685 ( -1.141 2.102 2.276) 3.301 14.752 ( 2.448 3.934 -7.217) 8.577 14.929 ( -8.733 -5.649 1.854) 10.565 15.198 ( 5.145 -0.227 1.446) 5.349 15.303 ( 5.889 -4.162 0.479) 7.227 15.398 ( -5.194 -8.786 -10.947) 14.967 15.577 ( 0.743 9.007 2.638) 9.415 15.738 ( 7.008 10.150 0.300) 12.338 15.998 ( 2.329 -4.275 21.952) 22.485 16.148 ( -2.007 -5.551 6.574) 8.835 16.369 ( -0.999 4.021 -2.377) 4.776 16.580 ( 0.810 -1.828 -5.041) 5.423 17.199 ( 4.961 0.401 1.341) 5.155 17.409 ( 4.373 -5.730 0.315) 7.215 17.568 ( 9.628 0.625 -2.609) 9.995 17.580 ( 7.499 1.035 -0.011) 7.570 20.802 ( -2.304 1.304 -1.186) 2.901 20.835 ( -1.593 2.321 -1.402) 3.145 21.175 ( -2.559 -5.304 5.404) 7.993 21.439 ( -3.015 -18.736 0.679) 18.989 21.771 ( -2.669 5.424 4.243) 7.385 22.024 ( -0.309 1.478 -0.795) 1.707 22.178 ( -5.127 -1.363 3.965) 6.623 22.299 ( -3.427 0.553 0.552) 3.515 22.546 ( -0.825 3.316 -2.489) 4.227 22.649 ( 3.682 4.101 -1.690) 5.765 22.789 ( 3.462 6.223 4.662) 8.512 22.885 ( -0.217 3.762 -3.231) 4.963 23.165 ( -0.816 -2.092 -5.306) 5.761 23.319 ( 1.404 3.926 3.005) 5.139 23.400 ( -0.389 6.185 -5.732) 8.441 23.770 ( -2.197 -2.189 0.570) 3.154 23.815 ( -2.042 6.096 -11.037) 12.773 24.085 ( 3.349 -1.106 -0.205) 3.533 24.188 ( 1.423 -1.072 6.955) 7.180 24.323 ( -2.743 1.399 2.091) 3.722 24.436 ( -8.272 -1.699 1.977) 8.673 24.728 ( 11.359 -9.845 1.762) 15.134 25.283 ( 14.950 14.468 0.531) 20.812 25.662 ( 16.839 2.175 -0.508) 16.986 26.541 ( -3.492 0.342 -0.013) 3.509 26.603 ( -2.722 -1.185 -0.328) 2.987 26.618 ( -5.073 0.403 0.711) 5.138 26.837 ( -1.049 -5.234 -1.205) 5.473 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -25.993 23.237 -0.719) 34.873 1.222 ( -25.279 24.665 12.715) 37.537 1.943 ( -24.445 17.335 8.078) 31.037 2.020 ( -11.306 14.123 14.896) 23.435 2.272 ( -2.069 -12.546 0.820) 12.742 2.448 ( -5.154 -6.561 0.579) 8.363 2.489 ( 1.190 2.385 -3.546) 4.435 2.595 ( -5.989 1.222 -0.443) 6.129 2.834 ( -1.674 -0.590 1.038) 2.056 2.861 ( 2.542 -1.276 -0.760) 2.944 3.011 ( 7.397 -4.547 2.118) 8.938 3.042 ( -3.281 4.882 -3.171) 6.683 3.241 ( -6.060 -6.794 -8.412) 12.395 3.282 ( -8.648 -0.088 -0.620) 8.671 3.376 ( -4.901 -1.879 -4.280) 6.772 3.424 ( -6.225 -2.206 -2.194) 6.959 3.499 ( -7.557 -5.349 5.615) 10.828 3.673 ( 1.075 -0.556 6.211) 6.327 3.800 ( 4.063 -2.470 -1.138) 4.889 3.822 ( 1.526 -4.340 6.735) 8.157 3.906 ( 2.926 7.555 -1.058) 8.171 3.977 ( -2.246 5.815 1.728) 6.469 4.087 ( 0.467 2.594 0.883) 2.780 4.114 ( -2.219 1.692 -2.293) 3.612 4.220 ( 0.845 2.995 -3.462) 4.655 4.254 ( 5.801 0.676 -3.046) 6.587 4.313 ( -2.321 -0.364 -4.656) 5.215 4.372 ( -7.855 9.094 -2.284) 12.232 4.413 ( 1.611 -3.719 -3.762) 5.530 4.474 ( 4.709 -3.702 0.539) 6.014 4.538 ( 1.506 -0.333 2.743) 3.147 4.627 ( -0.370 4.868 -1.209) 5.029 4.685 ( 3.697 -2.390 5.727) 7.223 4.798 ( -4.109 8.042 0.973) 9.083 4.861 ( -6.989 4.702 -2.918) 8.914 4.887 ( -5.418 5.927 -0.117) 8.031 5.093 ( 8.195 -6.355 -0.153) 10.371 5.126 ( 0.490 1.220 -1.627) 2.092 5.197 ( -10.078 -2.333 -4.906) 11.449 5.288 ( -4.428 -5.282 -1.810) 7.126 5.368 ( -3.055 -3.161 -4.647) 6.397 5.418 ( -8.108 0.908 2.081) 8.419 5.461 ( -7.429 -9.479 0.824) 12.071 5.590 ( -7.270 -1.696 3.543) 8.264 5.655 ( -2.650 -3.928 -2.635) 5.422 5.681 ( -0.780 -6.377 5.298) 8.327 5.903 ( -4.225 2.811 -2.246) 5.549 5.918 ( -1.865 -3.536 2.070) 4.502 6.036 ( 2.428 9.378 -0.520) 9.702 6.184 ( 5.258 -5.304 -2.907) 8.015 6.314 ( 5.367 -2.705 5.829) 8.373 6.495 ( 0.540 -5.852 -2.846) 6.530 6.556 ( 9.719 -1.865 -2.908) 10.315 6.699 ( 2.075 -1.128 -7.929) 8.273 6.754 ( 4.213 -3.165 -2.272) 5.738 6.929 ( 6.716 -1.976 2.766) 7.528 7.014 ( 3.618 -7.461 0.194) 8.294 7.121 ( -3.011 1.201 5.115) 6.055 7.148 ( 3.318 -2.041 -3.617) 5.316 7.267 ( 6.610 4.325 -2.187) 8.196 7.345 ( 11.658 8.396 -1.322) 14.427 7.458 ( 2.764 -3.527 4.981) 6.700 7.463 ( 8.650 5.668 -1.766) 10.492 7.484 ( 7.178 3.613 10.780) 13.446 7.608 ( 5.209 6.447 -2.255) 8.590 7.695 ( -0.798 -2.814 -1.867) 3.470 7.852 ( -0.292 -4.473 6.817) 8.159 7.941 ( -4.481 -0.318 1.253) 4.664 7.965 ( -2.505 0.743 -0.030) 2.613 8.145 ( -4.931 5.830 -1.296) 7.745 8.218 ( 2.103 2.111 -0.140) 2.983 8.329 ( -3.177 1.381 -2.790) 4.448 8.417 ( 7.092 4.428 -1.494) 8.493 8.464 ( -5.796 1.136 2.055) 6.254 8.606 ( -3.779 -2.415 5.904) 7.414 8.644 ( -6.097 -0.975 1.693) 6.403 8.857 ( -1.498 -3.372 -1.359) 3.933 8.924 ( -0.346 -8.738 1.162) 8.822 8.992 ( 1.118 0.866 -1.563) 2.108 9.109 ( 5.410 -2.509 -5.904) 8.392 9.220 ( 1.438 -1.546 -3.312) 3.927 9.304 ( 2.603 1.284 4.862) 5.662 9.319 ( 3.348 5.649 2.076) 6.887 9.365 ( -0.640 -1.027 6.966) 7.071 9.439 ( 0.930 4.214 -2.442) 4.959 9.645 ( 6.860 5.400 -1.871) 8.928 9.733 ( 7.949 1.750 1.072) 8.210 9.832 ( 3.739 5.232 3.702) 7.420 9.882 ( 2.471 -2.384 -0.361) 3.452 9.998 ( 2.940 -1.241 6.180) 6.956 10.087 ( -3.592 0.984 -0.386) 3.745 10.150 ( 4.449 2.542 -2.642) 5.765 10.158 ( -3.622 0.276 -2.422) 4.366 10.230 ( -0.735 -1.688 -3.133) 3.634 10.263 ( -10.051 3.380 -0.241) 10.607 10.374 ( 1.561 2.177 -4.135) 4.927 10.440 ( 1.283 -0.152 2.848) 3.128 10.488 ( 0.441 1.539 4.490) 4.767 10.574 ( 1.458 2.739 -1.530) 3.460 10.663 ( 11.448 5.048 1.424) 12.592 10.773 ( 5.164 6.543 -1.103) 8.407 10.855 ( -1.068 3.009 2.551) 4.087 10.990 ( 3.556 4.557 3.311) 6.662 11.094 ( 1.658 -0.829 0.976) 2.095 11.151 ( -3.391 -9.534 -1.361) 10.210 11.280 ( 0.855 -0.655 -1.776) 2.077 11.288 ( 4.555 -0.207 2.026) 4.989 11.423 ( -3.321 -5.551 -0.092) 6.469 11.429 ( 2.349 -2.640 1.259) 3.751 11.498 ( 2.412 2.090 0.837) 3.299 11.661 ( -8.098 0.790 5.128) 9.617 11.716 ( -2.605 -4.728 -4.111) 6.786 11.863 ( -2.078 3.110 -3.511) 5.131 11.929 ( 0.150 -1.862 -3.099) 3.619 11.973 ( -8.845 -9.325 -4.120) 13.497 12.122 ( -9.152 -3.177 -1.282) 9.772 12.159 ( -2.524 -2.094 3.721) 4.960 12.317 ( -3.823 0.432 1.216) 4.035 12.356 ( -3.697 -3.256 -2.544) 5.544 12.382 ( -5.248 1.443 2.965) 6.198 12.492 ( -8.046 -3.342 -2.829) 9.160 12.548 ( -7.918 -5.441 4.645) 10.671 12.681 ( -6.865 2.066 0.538) 7.189 12.914 ( 0.613 -2.490 -6.031) 6.553 12.965 ( 0.323 1.244 2.240) 2.583 13.094 ( -3.419 -9.418 -2.723) 10.383 13.219 ( -4.545 5.869 -6.079) 9.595 13.238 ( -0.546 2.140 -4.636) 5.135 13.312 ( -1.494 -1.268 -3.799) 4.274 13.467 ( -11.552 4.543 -15.804) 20.096 13.886 ( 3.633 -0.331 -1.773) 4.056 13.977 ( -2.538 1.529 3.568) 4.637 14.032 ( -0.883 -5.207 0.522) 5.307 14.200 ( 3.013 -5.230 0.503) 6.057 14.386 ( -0.847 -6.896 -0.064) 6.948 14.485 ( -2.947 -4.779 3.794) 6.777 14.617 ( -4.827 -3.395 -4.692) 7.539 14.733 ( -4.881 2.049 -4.755) 7.116 14.813 ( 0.847 5.523 2.030) 5.945 15.066 ( -11.426 3.454 -22.021) 25.048 15.272 ( 0.851 4.165 -0.573) 4.289 15.481 ( 4.588 -5.619 8.025) 10.817 15.613 ( 1.516 9.852 1.288) 10.051 15.841 ( 2.836 5.708 0.371) 6.385 16.090 ( -1.549 -3.691 4.916) 6.340 16.270 ( 2.111 -10.413 21.629) 24.098 16.338 ( -0.019 0.111 0.331) 0.350 16.587 ( 2.406 -1.962 -2.081) 3.738 17.317 ( 4.860 0.158 2.484) 5.460 17.508 ( 4.671 -4.675 1.297) 6.735 17.707 ( 6.970 2.353 -3.697) 8.233 17.741 ( 7.269 0.643 -1.160) 7.389 20.749 ( -1.369 1.464 -1.480) 2.491 20.807 ( -0.455 2.235 -0.973) 2.479 21.133 ( -3.488 -3.672 0.905) 5.145 21.262 ( -14.304 -18.396 -5.261) 23.890 21.756 ( -1.648 4.749 4.360) 6.655 22.007 ( -0.645 0.285 -0.353) 0.789 22.084 ( -5.001 1.181 2.491) 5.711 22.254 ( -2.258 -0.235 2.048) 3.057 22.486 ( -1.865 3.225 -4.104) 5.543 22.726 ( 2.371 1.399 2.564) 3.762 22.746 ( -0.961 5.274 -14.123) 15.106 22.918 ( 1.604 6.632 0.430) 6.837 23.156 ( 1.501 -1.583 -0.314) 2.204 23.295 ( -3.651 -1.033 0.402) 3.816 23.571 ( 5.870 2.535 5.650) 8.533 23.699 ( -1.682 0.498 -3.643) 4.043 23.846 ( 12.843 10.587 -2.899) 16.895 24.136 ( 1.249 0.827 0.529) 1.589 24.240 ( -4.115 -6.230 -0.115) 7.467 24.318 ( 6.297 4.595 9.454) 12.254 24.404 ( 5.484 0.009 6.744) 8.692 24.962 ( 10.099 -8.791 -0.688) 13.407 25.565 ( 11.703 14.841 5.516) 19.688 25.974 ( 15.343 5.768 -0.899) 16.416 26.475 ( -2.787 0.451 0.047) 2.824 26.526 ( -3.735 0.320 0.473) 3.779 26.538 ( -3.397 -0.918 -0.783) 3.605 26.776 ( -4.904 -7.614 -3.422) 9.681 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.033 24.921 1.379) 24.959 1.558 ( -0.966 29.040 11.053) 31.087 1.721 ( 1.734 -16.826 -1.534) 16.985 2.046 ( -6.414 -9.488 2.205) 11.662 2.082 ( 4.774 -8.228 3.023) 9.981 2.310 ( 0.566 -17.514 4.941) 18.206 2.661 ( 2.355 4.472 -0.850) 5.126 2.737 ( 0.892 -2.843 -5.338) 6.113 2.861 ( 0.998 20.065 8.941) 21.990 2.900 ( -0.704 6.876 0.492) 6.929 3.001 ( 1.371 5.246 -0.854) 5.489 3.079 ( -2.158 -0.811 -3.727) 4.382 3.101 ( -1.893 6.104 -2.007) 6.699 3.291 ( 1.648 11.855 5.692) 13.254 3.303 ( 1.763 -2.163 4.619) 5.396 3.449 ( 3.579 9.845 1.723) 10.616 3.460 ( -1.576 17.530 3.745) 17.995 3.615 ( -0.939 -14.862 7.395) 16.627 3.638 ( -0.377 -9.039 7.709) 11.886 3.915 ( 0.152 2.403 -2.678) 3.601 3.944 ( -0.526 -0.881 -3.660) 3.801 3.963 ( -0.563 -1.190 -1.458) 1.964 4.160 ( -1.111 -1.050 -4.543) 4.793 4.184 ( -4.036 5.237 -4.578) 8.042 4.225 ( 3.207 2.960 0.456) 4.388 4.279 ( 2.358 1.737 1.425) 3.257 4.306 ( -1.735 -1.333 -6.187) 6.563 4.371 ( 5.915 -16.212 -1.823) 17.354 4.389 ( 2.207 -8.203 3.344) 9.129 4.468 ( -2.897 -13.820 2.823) 14.399 4.526 ( -3.834 -4.713 -1.081) 6.171 4.569 ( -1.931 -2.998 -1.933) 4.056 4.671 ( -0.127 1.183 -0.092) 1.194 4.700 ( -0.947 -0.786 -0.585) 1.362 4.787 ( 3.228 7.105 -1.299) 7.912 4.903 ( -0.995 -2.045 3.999) 4.600 5.062 ( -2.416 4.885 -3.941) 6.725 5.073 ( -0.970 4.895 0.598) 5.026 5.191 ( 4.011 0.633 -1.669) 4.390 5.220 ( -0.894 -0.349 -0.791) 1.244 5.246 ( 6.531 7.520 -5.213) 11.242 5.347 ( 0.702 1.837 -4.246) 4.680 5.461 ( -1.999 4.245 4.700) 6.642 5.539 ( -2.453 10.468 1.550) 10.863 5.640 ( 2.085 -0.719 3.510) 4.146 5.697 ( -5.244 0.349 7.518) 9.173 5.754 ( 0.080 -7.293 1.621) 7.471 5.893 ( 2.279 -15.583 3.219) 16.075 6.122 ( -2.387 3.784 -6.649) 8.014 6.191 ( 1.636 1.508 -2.148) 3.093 6.288 ( -4.700 2.870 2.822) 6.188 6.475 ( -4.159 -10.670 2.845) 11.800 6.545 ( 5.618 -1.048 -7.716) 9.601 6.605 ( 8.097 -2.336 2.731) 8.859 6.678 ( -2.351 -2.000 -8.052) 8.623 6.793 ( -4.238 -6.588 -3.146) 8.442 7.012 ( -1.572 -3.244 -1.221) 3.806 7.049 ( -2.951 -3.143 -7.168) 8.364 7.192 ( 4.908 3.532 -4.715) 7.668 7.315 ( 5.630 -5.492 -2.162) 8.157 7.343 ( -1.962 6.435 -1.990) 7.015 7.464 ( -5.266 -5.561 -1.134) 7.742 7.608 ( -8.511 2.080 0.008) 8.762 7.630 ( -3.016 -0.474 1.282) 3.311 7.711 ( 2.887 5.222 4.868) 7.700 7.783 ( 1.792 -0.528 4.979) 5.318 7.921 ( 0.721 7.216 0.020) 7.252 7.988 ( 3.857 2.885 1.160) 4.954 8.076 ( 2.207 1.151 2.444) 3.488 8.096 ( -1.839 1.249 4.911) 5.390 8.185 ( -3.735 0.990 7.709) 8.623 8.296 ( 2.834 -6.958 4.426) 8.720 8.494 ( -2.141 7.468 1.937) 8.007 8.507 ( 2.682 3.873 0.896) 4.796 8.610 ( 1.878 -0.831 -1.896) 2.795 8.657 ( 0.500 -2.279 -1.783) 2.936 8.737 ( -0.652 -6.804 2.358) 7.230 8.766 ( -0.767 -4.933 -0.495) 5.017 8.956 ( -1.127 3.872 -9.574) 10.388 9.048 ( -0.458 -4.359 -7.806) 8.953 9.270 ( -3.563 -1.255 -2.004) 4.276 9.277 ( -0.664 -2.064 -2.097) 3.016 9.396 ( -0.950 1.426 4.140) 4.481 9.420 ( 0.149 -0.629 3.738) 3.794 9.704 ( 8.761 6.078 -2.645) 10.986 9.751 ( 2.241 2.253 -0.857) 3.291 9.842 ( 2.686 -0.013 -1.877) 3.277 9.862 ( -0.315 -0.341 1.418) 1.492 9.982 ( -1.236 2.619 1.345) 3.193 10.045 ( 1.564 -0.158 2.402) 2.871 10.087 ( -2.203 5.110 1.113) 5.675 10.143 ( 1.185 0.165 1.005) 1.563 10.178 ( -5.959 0.794 4.366) 7.430 10.219 ( -3.791 -1.696 2.482) 4.839 10.262 ( 0.295 4.850 1.251) 5.018 10.378 ( 0.139 -0.159 -0.207) 0.296 10.448 ( -4.392 -0.077 10.023) 10.944 10.577 ( -4.176 -3.251 -1.916) 5.628 10.629 ( -0.932 6.879 2.086) 7.248 10.765 ( 1.804 -1.127 0.570) 2.202 10.827 ( -2.760 2.421 3.401) 5.005 10.951 ( 0.299 1.659 -8.069) 8.243 11.056 ( 4.593 5.965 1.010) 7.595 11.088 ( -1.141 0.121 -1.512) 1.898 11.116 ( -3.896 4.317 -1.304) 5.960 11.230 ( -4.545 -1.403 -4.035) 6.238 11.247 ( 4.256 -11.079 -0.766) 11.893 11.312 ( -6.814 -5.507 -5.706) 10.456 11.423 ( 5.587 -1.039 2.133) 6.070 11.458 ( 8.502 -6.934 0.489) 10.982 11.638 ( 3.130 4.635 4.524) 7.193 11.678 ( 2.135 2.270 4.723) 5.658 11.779 ( -2.389 -1.430 0.874) 2.918 11.813 ( -1.878 -2.905 0.362) 3.478 11.902 ( -0.038 -0.053 -1.682) 1.683 11.916 ( 1.522 -1.140 -0.144) 1.907 12.193 ( 3.174 3.501 -1.106) 4.853 12.258 ( -0.257 1.473 -0.464) 1.565 12.294 ( 2.027 -2.312 -1.166) 3.288 12.346 ( -1.109 -1.575 -4.097) 4.527 12.418 ( 1.397 0.538 -0.970) 1.784 12.456 ( 0.705 -0.590 2.656) 2.810 12.579 ( -2.542 1.643 4.023) 5.035 12.742 ( -3.335 -11.108 -1.615) 11.710 12.878 ( -0.168 1.867 -6.760) 7.015 12.962 ( -0.781 -6.161 -5.311) 8.171 13.089 ( -0.912 5.297 -7.990) 9.629 13.182 ( 0.380 -3.411 -9.712) 10.301 13.452 ( 3.102 8.066 0.352) 8.649 13.481 ( 2.257 4.558 -1.912) 5.433 13.890 ( -1.379 1.141 8.598) 8.782 13.955 ( -0.496 -3.586 8.720) 9.442 14.091 ( 3.478 -0.814 -0.718) 3.643 14.138 ( 4.761 -4.348 1.176) 6.554 14.350 ( 0.531 1.951 -0.970) 2.243 14.421 ( -1.228 -4.336 0.793) 4.576 14.594 ( 4.262 2.979 0.612) 5.235 14.651 ( 3.547 -2.735 -5.180) 6.848 14.820 ( -5.667 3.836 -6.684) 9.565 14.883 ( -4.055 -1.724 -11.114) 11.956 15.433 ( 1.225 8.111 3.838) 9.057 15.554 ( 1.020 -3.331 7.389) 8.169 15.782 ( -2.650 6.048 7.611) 10.076 15.856 ( -1.208 -0.409 -0.313) 1.313 16.087 ( -2.418 1.643 1.134) 3.135 16.163 ( -3.020 -7.816 9.624) 12.760 16.419 ( 1.257 6.815 -2.119) 7.247 16.547 ( 1.714 -5.903 -1.184) 6.260 17.418 ( 0.141 2.404 3.739) 4.447 17.484 ( 0.182 -4.442 3.019) 5.374 17.792 ( 0.131 1.114 -3.728) 3.893 17.805 ( 0.128 -0.332 -2.889) 2.911 20.783 ( 1.654 2.581 -0.602) 3.124 20.831 ( 2.917 -1.759 -2.228) 4.070 20.952 ( -4.291 1.329 -0.534) 4.524 21.002 ( -2.485 -3.460 -1.641) 4.565 21.853 ( -1.658 5.389 4.135) 6.992 21.947 ( -1.736 -4.148 4.085) 6.075 22.138 ( 1.691 4.996 -0.471) 5.295 22.220 ( 1.346 -3.051 0.612) 3.390 22.561 ( 1.369 6.830 -1.328) 7.091 22.664 ( 0.896 -3.256 -0.700) 3.449 22.885 ( -0.192 6.842 -0.805) 6.892 22.978 ( -1.298 -1.285 1.683) 2.483 23.179 ( 1.535 -0.377 3.399) 3.748 23.219 ( -0.165 -3.449 3.897) 5.206 23.610 ( -0.831 3.249 -2.622) 4.257 23.679 ( -0.152 -2.334 -1.704) 2.894 23.978 ( 2.041 0.929 -5.283) 5.739 24.036 ( -0.696 -4.818 -5.282) 7.184 24.172 ( -0.538 2.062 -0.633) 2.223 24.238 ( -1.642 -4.726 -1.731) 5.295 24.781 ( 1.819 4.261 3.261) 5.666 24.900 ( -0.229 -7.330 -1.887) 7.573 26.000 ( 0.995 11.953 3.939) 12.625 26.185 ( 2.186 -6.591 -1.851) 7.186 26.457 ( -0.125 0.582 0.383) 0.708 26.469 ( -0.676 -0.603 0.358) 0.974 26.507 ( -0.734 0.982 -0.034) 1.226 26.543 ( -0.316 -2.688 -1.198) 2.960 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 11.867 19.323 4.946) 23.209 1.711 ( 7.026 -1.905 2.711) 7.768 1.852 ( 11.970 15.825 4.382) 20.320 2.092 ( 8.365 -7.146 1.298) 11.078 2.298 ( 13.953 -10.715 2.621) 17.786 2.341 ( 2.286 -12.520 -2.398) 12.951 2.686 ( 0.431 2.291 0.657) 2.422 2.741 ( 1.126 -2.311 -0.488) 2.616 2.873 ( -0.386 3.168 -5.196) 6.098 2.921 ( -3.629 5.424 -2.836) 7.116 2.951 ( 1.560 -1.406 -2.351) 3.153 3.030 ( 2.199 -4.806 0.420) 5.302 3.267 ( 3.054 12.500 -0.786) 12.892 3.363 ( 5.879 5.522 4.034) 9.019 3.448 ( 2.769 0.348 5.508) 6.175 3.485 ( 8.106 30.171 9.645) 32.696 3.587 ( -0.206 -4.979 6.667) 8.324 3.608 ( 5.019 -0.163 3.938) 6.382 3.714 ( 2.776 -8.272 3.557) 9.422 3.810 ( -7.174 0.271 -1.241) 7.286 3.900 ( -7.991 2.796 -4.250) 9.473 3.940 ( -8.105 -0.668 -1.278) 8.232 3.990 ( -0.729 2.122 -2.768) 3.563 4.146 ( -2.545 1.756 -3.116) 4.390 4.208 ( 4.290 4.072 -0.943) 5.990 4.256 ( -4.155 -1.950 -5.269) 6.987 4.350 ( 1.504 -1.023 4.083) 4.470 4.378 ( 2.393 -5.678 1.114) 6.262 4.450 ( 1.851 -2.212 1.945) 3.479 4.492 ( -2.153 -6.549 -0.898) 6.952 4.610 ( 5.529 -8.988 -0.542) 10.567 4.629 ( 11.727 -0.927 0.793) 11.790 4.668 ( 6.987 -2.053 0.076) 7.283 4.711 ( 7.235 -11.156 1.797) 13.418 4.913 ( 0.441 3.799 -0.129) 3.826 4.976 ( -1.065 10.356 -0.616) 10.429 5.002 ( -0.477 -4.463 0.365) 4.504 5.088 ( 10.168 3.378 0.374) 10.721 5.198 ( 0.309 3.487 -3.029) 4.629 5.246 ( 1.103 3.594 -0.873) 3.859 5.310 ( 5.502 4.280 -9.797) 12.024 5.377 ( 7.233 0.604 -4.130) 8.351 5.444 ( -2.684 4.313 5.944) 7.819 5.636 ( 5.005 -3.435 -3.179) 6.852 5.673 ( -0.058 4.037 7.621) 8.624 5.754 ( 8.273 4.593 5.360) 10.875 5.849 ( 9.523 -6.569 -4.235) 12.320 5.995 ( 4.891 -6.142 -4.462) 9.031 6.000 ( -2.119 -4.001 6.795) 8.166 6.104 ( -8.681 -6.014 -1.796) 10.712 6.199 ( -5.303 8.952 -0.843) 10.439 6.420 ( -5.099 -9.247 1.828) 10.717 6.513 ( -3.599 -1.891 -8.207) 9.159 6.543 ( -2.849 -2.823 -6.353) 7.513 6.704 ( -1.628 0.742 -2.625) 3.177 6.773 ( 1.682 -3.452 0.921) 3.948 6.871 ( -5.147 0.152 -7.444) 9.051 6.974 ( -2.938 -7.676 3.529) 8.944 7.189 ( -5.973 5.784 -6.090) 10.306 7.284 ( -2.465 -0.791 -0.641) 2.667 7.341 ( -5.193 3.601 1.225) 6.437 7.415 ( 0.451 -2.128 5.466) 5.883 7.515 ( -2.783 2.298 -0.285) 3.620 7.566 ( -1.492 -1.515 -0.679) 2.232 7.768 ( 2.507 -1.035 -2.477) 3.673 7.802 ( -1.930 -3.255 0.636) 3.837 7.897 ( -7.456 4.275 6.499) 10.775 7.975 ( 3.240 5.172 0.064) 6.103 7.990 ( -12.325 -4.416 5.356) 14.145 8.039 ( -0.031 -0.822 -2.041) 2.201 8.310 ( 6.154 7.487 5.460) 11.124 8.373 ( -5.633 5.205 -0.677) 7.700 8.524 ( -1.064 -0.129 0.504) 1.184 8.580 ( 2.195 3.921 0.436) 4.515 8.586 ( -2.631 0.651 0.140) 2.714 8.624 ( 3.179 -3.183 2.717) 5.256 8.707 ( -1.739 1.291 -0.531) 2.229 8.802 ( 2.852 -6.891 0.621) 7.484 8.860 ( -3.031 0.268 -0.034) 3.043 8.984 ( -2.972 -8.519 -2.255) 9.300 9.146 ( -6.923 -0.513 0.240) 6.946 9.158 ( -3.838 -2.223 -0.676) 4.487 9.394 ( -1.537 2.486 -0.898) 3.058 9.425 ( -1.349 -0.673 -1.204) 1.929 9.733 ( -3.343 6.948 -0.283) 7.716 9.798 ( -0.786 1.142 3.963) 4.198 9.829 ( 3.020 3.913 -2.028) 5.343 9.856 ( -0.205 -0.622 -0.720) 0.974 9.970 ( -4.127 5.712 1.285) 7.163 10.017 ( -7.917 2.967 5.386) 10.024 10.077 ( -1.735 -3.087 0.212) 3.548 10.112 ( -5.003 -3.619 4.810) 7.827 10.167 ( 3.170 1.342 -1.621) 3.805 10.217 ( 4.682 -0.238 -3.513) 5.859 10.259 ( -1.176 4.783 -0.019) 4.925 10.353 ( -4.981 -3.533 0.543) 6.130 10.447 ( 0.128 1.761 4.619) 4.945 10.519 ( -0.583 -4.923 5.114) 7.122 10.600 ( -2.367 10.220 2.127) 10.704 10.750 ( -0.437 6.892 -6.049) 9.180 10.806 ( -2.622 -6.103 1.932) 6.917 10.862 ( -3.006 -4.868 -5.803) 8.149 10.984 ( -6.238 7.789 -0.696) 10.003 11.083 ( 2.309 4.540 0.362) 5.106 11.095 ( -2.742 -1.147 -1.314) 3.250 11.182 ( -1.544 -1.221 0.084) 1.970 11.206 ( 4.041 -0.450 -3.115) 5.123 11.322 ( 1.913 -9.113 -1.100) 9.377 11.538 ( 0.421 1.129 5.061) 5.203 11.570 ( -0.787 -1.771 6.152) 6.450 11.683 ( -0.934 4.519 2.135) 5.084 11.762 ( 7.948 -1.014 -1.346) 8.124 11.855 ( 0.364 -5.944 -1.139) 6.063 11.857 ( 7.854 -5.630 -4.488) 10.655 11.914 ( 2.649 3.496 -1.653) 4.687 12.005 ( 3.760 -4.338 -1.272) 5.880 12.233 ( 5.358 5.069 -0.990) 7.442 12.290 ( 2.526 0.779 1.582) 3.081 12.346 ( 8.639 2.562 1.296) 9.104 12.461 ( 6.485 -1.210 -2.091) 6.921 12.494 ( 4.212 -4.224 -1.701) 6.203 12.529 ( 9.815 -3.274 -0.162) 10.348 12.639 ( 6.065 -1.324 1.434) 6.371 12.703 ( 2.200 -5.514 1.929) 6.243 12.858 ( 1.133 -0.514 -1.156) 1.698 12.912 ( 0.196 -5.282 -2.333) 5.778 13.093 ( 5.410 3.492 -10.103) 11.980 13.175 ( 3.997 -4.117 -8.214) 10.020 13.518 ( 3.011 5.530 -1.856) 6.564 13.535 ( 5.643 5.757 -1.819) 8.264 13.891 ( -2.734 2.856 3.215) 5.096 14.025 ( 2.507 -5.904 3.021) 7.090 14.178 ( 3.021 -0.714 -0.814) 3.209 14.196 ( 0.138 -2.226 -4.418) 4.949 14.384 ( 4.346 0.856 1.569) 4.699 14.410 ( 2.009 -1.568 3.362) 4.219 14.679 ( -0.808 2.991 -6.141) 6.878 14.729 ( 2.587 -1.706 -6.067) 6.813 14.763 ( 6.840 0.077 3.980) 7.914 14.789 ( 5.493 -2.638 -5.036) 7.905 15.453 ( -2.653 8.314 5.884) 10.525 15.558 ( -5.050 -0.970 5.755) 7.717 15.748 ( -4.886 5.831 4.229) 8.703 15.808 ( -2.818 -0.235 -2.376) 3.693 16.030 ( -3.913 2.144 2.579) 5.154 16.138 ( -5.557 -9.119 8.843) 13.865 16.431 ( 1.379 6.470 -2.378) 7.030 16.562 ( 0.639 -6.554 -1.427) 6.737 17.391 ( -5.156 2.327 4.402) 7.168 17.456 ( -4.909 -4.287 3.415) 7.358 17.695 ( -6.626 1.882 -3.991) 7.960 17.719 ( -6.285 -0.844 -3.218) 7.111 20.816 ( 1.085 2.974 -1.595) 3.544 20.866 ( 2.200 -0.402 -5.001) 5.478 20.937 ( 1.542 -0.444 2.801) 3.228 20.989 ( 3.683 -4.153 -0.726) 5.598 21.855 ( -0.673 5.477 3.653) 6.618 21.952 ( -0.401 -4.399 3.399) 5.573 22.190 ( 3.642 5.817 -0.512) 6.882 22.276 ( 3.791 -2.445 0.665) 4.560 22.598 ( 2.246 7.253 -2.106) 7.879 22.663 ( -0.501 1.876 -4.722) 5.106 22.875 ( -0.408 4.662 3.891) 6.086 22.949 ( -1.162 -0.597 1.093) 1.704 23.231 ( 1.042 -0.991 3.733) 4.001 23.258 ( 1.013 -1.824 3.872) 4.398 23.590 ( -0.489 -1.064 0.336) 1.218 23.652 ( -1.279 -5.495 -2.102) 6.021 23.967 ( 0.588 2.050 -6.481) 6.823 24.016 ( 2.622 -2.386 -6.855) 7.717 24.170 ( 0.808 0.094 -0.705) 1.077 24.199 ( -0.317 -2.780 -2.215) 3.569 24.711 ( -9.430 1.657 6.229) 11.422 24.781 ( -9.209 -5.444 -0.031) 10.698 25.906 ( -12.625 9.284 3.592) 16.077 26.024 ( -15.363 -2.286 -0.431) 15.538 26.493 ( 3.028 0.887 0.464) 3.189 26.513 ( 3.100 -0.478 0.070) 3.137 26.543 ( 5.125 0.938 -0.392) 5.225 26.598 ( 5.289 -3.819 -1.777) 6.761 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 13.361 13.195 4.706) 19.359 1.895 ( 13.042 8.754 -1.317) 15.763 2.100 ( 7.413 -0.152 1.600) 7.585 2.276 ( 7.490 -9.436 -2.924) 12.397 2.447 ( 9.320 1.219 7.222) 11.854 2.505 ( 0.499 -0.398 5.750) 5.785 2.642 ( -3.963 0.447 -0.107) 3.990 2.757 ( 1.062 -10.788 2.788) 11.193 2.860 ( 1.217 5.140 0.495) 5.305 2.935 ( 10.060 6.204 -10.780) 15.997 2.974 ( 6.360 -6.454 -0.286) 9.065 3.127 ( 6.572 -8.029 -0.479) 10.387 3.271 ( -0.512 10.949 -3.164) 11.408 3.351 ( -6.652 5.208 -1.894) 8.658 3.435 ( -9.758 2.721 -5.715) 11.632 3.493 ( -5.691 -5.615 -0.262) 8.000 3.515 ( -0.909 -6.521 0.283) 6.590 3.555 ( -13.091 -6.991 -5.002) 15.661 3.701 ( -6.478 5.267 -2.459) 8.704 3.772 ( -6.291 2.798 0.865) 6.939 3.907 ( 10.039 2.787 6.223) 12.136 3.940 ( 8.036 0.449 2.178) 8.338 4.047 ( 5.729 0.001 5.055) 7.640 4.077 ( 0.625 0.473 3.368) 3.458 4.269 ( 1.415 0.272 4.690) 4.906 4.301 ( -5.473 -2.476 0.722) 6.050 4.415 ( 9.034 4.586 2.493) 10.434 4.464 ( 2.860 3.004 -0.745) 4.214 4.516 ( 11.386 2.412 4.091) 12.337 4.549 ( 7.464 2.643 -0.605) 7.941 4.685 ( -4.867 5.183 -1.523) 7.272 4.741 ( 3.234 0.992 4.362) 5.520 4.790 ( -1.543 -4.093 -0.035) 4.374 4.884 ( 2.497 -0.990 5.475) 6.098 4.911 ( 3.449 2.917 -0.246) 4.524 4.992 ( 13.422 -4.588 1.780) 14.296 5.124 ( 6.630 0.180 -4.756) 8.161 5.167 ( 1.213 -1.761 -1.599) 2.670 5.229 ( 4.495 6.393 1.355) 7.932 5.319 ( 9.197 2.863 -4.300) 10.549 5.415 ( 1.131 2.401 2.811) 3.866 5.448 ( 6.298 1.399 -1.830) 6.706 5.555 ( 9.898 1.951 -5.254) 11.375 5.654 ( 5.331 -9.692 1.680) 11.189 5.766 ( 0.998 2.287 -0.183) 2.502 5.854 ( -4.009 -0.989 -5.295) 6.715 5.940 ( 0.650 1.379 3.345) 3.675 5.971 ( -1.900 0.983 -1.011) 2.366 6.042 ( 3.768 5.161 -3.432) 7.253 6.150 ( 7.235 4.628 -5.875) 10.406 6.209 ( 15.400 -9.250 -2.386) 18.122 6.320 ( -3.562 -4.444 -2.403) 6.182 6.364 ( -4.392 -5.304 -5.719) 8.951 6.433 ( -3.047 -12.295 -7.711) 14.829 6.655 ( -2.113 2.628 4.421) 5.560 6.676 ( -8.460 1.238 5.602) 10.222 6.851 ( 1.324 6.352 0.672) 6.523 6.929 ( -5.577 3.655 0.795) 6.716 7.061 ( -2.113 -0.155 -1.256) 2.463 7.156 ( -8.029 -5.184 -2.206) 9.808 7.251 ( -6.710 6.278 0.899) 9.233 7.367 ( -14.489 5.372 1.092) 15.491 7.378 ( -4.451 -2.746 3.469) 6.276 7.504 ( -7.431 -3.814 2.977) 8.867 7.645 ( -16.928 3.121 3.600) 17.586 7.729 ( -9.642 -2.956 1.256) 10.163 7.766 ( -4.541 0.035 -0.333) 4.553 7.815 ( -2.668 -3.113 -4.116) 5.809 8.129 ( 7.511 2.803 2.699) 8.459 8.161 ( 7.391 -0.019 0.633) 7.418 8.269 ( 6.118 2.262 -3.949) 7.625 8.370 ( -0.601 -4.920 -0.979) 5.052 8.442 ( -2.747 1.026 -1.863) 3.474 8.457 ( -1.271 -0.488 -3.013) 3.306 8.625 ( -4.403 3.306 1.641) 5.745 8.679 ( 1.967 -0.206 4.013) 4.474 8.821 ( 4.252 0.097 3.837) 5.728 8.824 ( 2.526 -0.831 3.861) 4.688 8.907 ( 2.229 -4.919 5.812) 7.934 8.928 ( -1.770 -6.073 1.976) 6.627 9.057 ( -4.254 1.818 2.194) 5.121 9.119 ( -1.796 -3.869 2.508) 4.948 9.347 ( -1.145 1.637 -3.555) 4.077 9.365 ( -1.655 0.024 -3.184) 3.589 9.665 ( -4.616 8.840 -3.841) 10.686 9.770 ( -3.710 0.387 -2.437) 4.456 9.792 ( -3.318 2.046 0.164) 3.902 9.849 ( -1.617 -1.241 5.975) 6.313 9.892 ( -4.883 1.573 0.279) 5.138 9.936 ( -2.169 6.107 2.909) 7.103 9.962 ( -6.665 -3.366 -1.419) 7.601 10.037 ( -5.988 -0.153 0.742) 6.036 10.139 ( -0.868 -2.064 -2.268) 3.187 10.190 ( -1.929 -4.109 0.293) 4.549 10.346 ( 4.169 1.725 0.597) 4.551 10.352 ( 3.136 1.259 -0.549) 3.423 10.516 ( 1.270 3.352 6.084) 7.062 10.562 ( 1.980 1.156 0.769) 2.418 10.607 ( 1.920 8.947 1.040) 9.210 10.682 ( -3.182 4.031 -4.975) 7.150 10.746 ( -0.757 -2.974 -3.878) 4.945 10.781 ( -2.173 -1.920 -0.133) 2.903 10.909 ( -2.606 3.734 4.072) 6.108 11.023 ( -1.109 -7.021 0.268) 7.114 11.126 ( -1.824 2.409 -1.911) 3.575 11.154 ( 0.757 -0.632 -0.369) 1.053 11.296 ( 3.867 1.082 -0.297) 4.027 11.327 ( 0.444 1.308 -3.600) 3.856 11.501 ( -4.859 0.084 -1.477) 5.079 11.610 ( 1.149 -7.892 5.012) 9.420 11.636 ( -3.181 5.495 1.336) 6.488 11.758 ( -5.621 -2.511 2.385) 6.602 11.801 ( -2.128 3.389 0.119) 4.003 11.905 ( -1.488 -7.920 -4.599) 9.279 12.070 ( 10.183 1.525 -2.237) 10.537 12.149 ( 10.382 -5.188 3.368) 12.085 12.277 ( 0.721 4.810 -0.629) 4.905 12.409 ( 4.208 -2.025 -2.347) 5.226 12.495 ( 3.476 -4.744 1.603) 6.096 12.557 ( 6.384 -5.318 -0.803) 8.347 12.646 ( 9.695 -0.207 3.688) 10.375 12.670 ( 7.114 -1.350 1.805) 7.462 12.788 ( 7.422 4.497 -2.839) 9.130 12.892 ( 5.768 1.240 1.999) 6.229 12.908 ( 6.771 -2.734 -1.473) 7.449 12.938 ( 5.351 -6.427 1.128) 8.439 13.150 ( 6.036 2.683 -7.733) 10.170 13.215 ( 4.225 -3.350 -4.921) 7.300 13.578 ( 3.998 7.970 -1.079) 8.982 13.648 ( 7.382 5.584 -5.440) 10.736 13.845 ( -0.868 -0.832 -0.138) 1.211 14.026 ( -4.637 -13.186 -1.676) 14.078 14.173 ( 2.612 2.160 -4.427) 5.575 14.207 ( 3.663 -1.649 -0.724) 4.082 14.396 ( -1.267 1.802 -9.627) 9.876 14.432 ( -1.225 -1.787 -6.347) 6.706 14.759 ( 9.553 3.982 3.165) 10.823 14.797 ( 5.525 -0.864 -0.150) 5.594 14.909 ( 3.297 0.424 7.213) 7.942 14.964 ( 11.465 -3.757 4.516) 12.882 15.368 ( -8.764 6.787 -0.205) 11.087 15.457 ( -7.103 -1.100 1.745) 7.396 15.659 ( -5.462 6.763 2.365) 9.009 15.727 ( -4.152 1.275 0.265) 4.352 15.990 ( -3.598 0.247 6.835) 7.728 16.076 ( -5.356 -7.270 6.929) 11.381 16.441 ( 1.540 5.309 -3.215) 6.394 16.555 ( 0.195 -6.181 -2.606) 6.710 17.297 ( -6.686 2.198 4.116) 8.154 17.360 ( -6.345 -4.332 2.930) 8.223 17.526 ( -7.001 1.844 -3.571) 8.073 17.555 ( -7.282 -1.158 -3.205) 8.040 20.819 ( 1.092 2.519 -1.640) 3.198 20.873 ( 1.679 -2.425 -3.419) 4.515 21.006 ( 2.923 2.223 3.346) 4.968 21.095 ( 5.402 -6.293 0.780) 8.331 21.874 ( 0.363 5.750 3.161) 6.572 21.971 ( 0.405 -4.181 2.322) 4.800 22.262 ( 3.726 7.468 -0.211) 8.349 22.368 ( 4.763 -2.713 0.693) 5.525 22.568 ( -2.818 4.869 -3.371) 6.558 22.602 ( -2.258 2.613 -3.323) 4.792 22.912 ( 1.477 7.263 2.212) 7.735 22.990 ( 3.662 0.953 1.447) 4.051 23.246 ( -0.663 -0.632 -1.242) 1.543 23.304 ( 1.577 -4.071 3.522) 5.610 23.566 ( -2.363 -2.214 -0.866) 3.352 23.637 ( -0.869 -9.871 4.894) 11.052 23.914 ( -1.185 3.437 -8.044) 8.827 23.989 ( -0.936 -4.271 -6.306) 7.674 24.206 ( 2.008 1.087 -2.598) 3.458 24.222 ( 4.743 -0.165 -3.429) 5.854 24.593 ( -5.399 1.812 8.024) 9.840 24.639 ( -4.542 -3.323 5.089) 7.588 25.600 ( -19.075 6.787 1.942) 20.339 25.665 ( -19.446 0.300 -1.339) 19.494 26.558 ( 2.926 0.780 0.592) 3.086 26.575 ( 2.955 -0.400 0.118) 2.985 26.645 ( 4.602 0.546 0.131) 4.636 26.694 ( 5.134 -3.823 -1.873) 6.669 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.250 11.246 2.479) 12.657 2.111 ( 4.618 -0.053 2.023) 5.042 2.191 ( 3.797 0.422 0.458) 3.848 2.303 ( -0.959 -6.198 -0.834) 6.327 2.533 ( 2.988 3.768 6.322) 7.943 2.618 ( 0.918 -4.577 6.928) 8.354 2.723 ( 5.627 3.599 2.088) 6.999 2.782 ( -5.531 -0.830 0.940) 5.671 2.937 ( 3.417 2.724 3.067) 5.339 2.960 ( -3.252 0.313 2.978) 4.421 3.058 ( -6.319 1.301 -5.160) 8.261 3.136 ( 4.308 -5.833 -0.305) 7.258 3.267 ( -2.484 0.454 -0.843) 2.662 3.298 ( 3.322 3.567 -2.629) 5.538 3.353 ( 3.413 -1.827 -0.991) 3.996 3.395 ( 6.076 -1.410 -3.970) 7.394 3.435 ( 3.376 -4.684 -2.880) 6.452 3.462 ( 3.714 -6.709 -0.849) 7.715 3.637 ( -2.009 1.659 1.255) 2.892 3.662 ( -3.114 -0.261 3.434) 4.643 3.966 ( -2.277 1.492 0.924) 2.875 4.021 ( -2.969 -3.394 1.141) 4.652 4.121 ( -0.863 1.422 1.747) 2.413 4.143 ( -1.584 0.065 4.173) 4.464 4.228 ( -2.242 5.883 -0.896) 6.359 4.356 ( 3.339 -6.947 -2.889) 8.231 4.471 ( 0.870 3.172 -3.069) 4.498 4.499 ( -3.866 -1.607 -1.048) 4.316 4.639 ( -1.938 1.746 -0.319) 2.628 4.653 ( 4.785 -0.092 1.495) 5.015 4.669 ( 3.378 0.072 1.332) 3.632 4.691 ( 0.365 -0.572 3.190) 3.262 4.844 ( 0.309 9.322 -1.235) 9.409 4.940 ( -1.694 4.931 1.946) 5.566 5.055 ( 3.923 6.048 4.495) 8.495 5.107 ( -1.869 7.745 -1.507) 8.108 5.155 ( 0.708 -5.812 -5.159) 7.803 5.227 ( 5.009 -2.555 2.308) 6.078 5.425 ( 4.544 4.200 -7.107) 9.424 5.446 ( -1.140 3.381 -3.251) 4.827 5.464 ( 4.973 -1.102 1.444) 5.294 5.540 ( 11.414 -4.224 3.571) 12.683 5.623 ( -1.606 5.038 0.057) 5.288 5.699 ( -2.052 3.655 -1.733) 4.535 5.784 ( 2.071 -2.434 1.745) 3.641 5.820 ( 2.752 -7.878 1.008) 8.405 5.930 ( 4.242 3.615 1.547) 5.784 5.988 ( -0.223 -0.930 2.243) 2.438 6.101 ( 0.259 4.145 -3.102) 5.183 6.157 ( 3.376 -2.304 -6.676) 7.827 6.248 ( 6.785 4.377 -5.921) 10.013 6.339 ( 4.836 -4.266 0.016) 6.449 6.468 ( 2.922 -2.510 -2.900) 4.821 6.560 ( 13.159 -9.096 -1.834) 16.101 6.639 ( -3.263 1.809 4.632) 5.948 6.659 ( 7.076 1.240 4.236) 8.340 6.846 ( 0.141 6.313 1.107) 6.411 6.869 ( -2.202 3.390 -2.092) 4.552 6.926 ( -12.441 4.326 -4.159) 13.813 6.960 ( -9.758 -0.384 -2.501) 10.080 7.060 ( -10.989 5.136 -3.808) 12.714 7.160 ( -2.793 -3.092 1.541) 4.442 7.230 ( -12.438 5.964 1.493) 13.875 7.365 ( -4.915 -5.495 1.874) 7.607 7.417 ( -7.421 0.219 4.946) 8.921 7.544 ( -6.510 -10.967 0.858) 12.782 7.682 ( -1.318 3.016 -3.425) 4.750 7.763 ( -0.566 -4.231 -3.476) 5.505 8.190 ( 1.131 -0.541 4.052) 4.241 8.238 ( -0.243 -4.670 3.408) 5.786 8.421 ( 0.310 0.763 1.232) 1.482 8.446 ( 2.124 -0.997 1.068) 2.577 8.470 ( 9.921 2.315 1.162) 10.253 8.515 ( 4.691 2.687 2.250) 5.856 8.586 ( 3.291 0.114 0.491) 3.329 8.697 ( -1.841 -7.341 3.868) 8.499 8.851 ( 0.261 0.653 -0.108) 0.711 8.882 ( 0.490 -3.367 -2.748) 4.374 8.923 ( -2.373 0.349 4.714) 5.289 8.965 ( -2.867 -3.134 8.299) 9.323 9.021 ( -0.265 4.070 2.936) 5.026 9.094 ( -3.055 -2.595 4.085) 5.723 9.319 ( 0.484 2.134 -2.282) 3.161 9.364 ( 2.842 -2.822 -0.645) 4.056 9.547 ( -2.256 5.946 -4.798) 7.967 9.635 ( -4.880 -2.882 -5.077) 7.609 9.724 ( -4.988 4.526 -3.084) 7.408 9.810 ( -2.628 0.724 4.073) 4.901 9.825 ( -3.106 -1.166 -2.073) 3.912 9.852 ( -3.037 1.177 1.466) 3.572 9.952 ( 1.888 2.243 0.265) 2.944 10.010 ( 2.323 1.835 1.659) 3.393 10.090 ( -1.232 1.283 -2.003) 2.679 10.225 ( 0.010 -5.670 4.602) 7.302 10.374 ( 0.731 2.704 0.823) 2.919 10.406 ( 2.763 -0.596 -0.242) 2.837 10.491 ( -2.557 2.005 -6.410) 7.186 10.505 ( -4.384 1.379 -3.713) 5.908 10.641 ( 0.519 7.823 -0.170) 7.842 10.707 ( -0.956 1.784 1.205) 2.356 10.736 ( 4.765 0.588 4.247) 6.410 10.797 ( 2.456 -1.320 2.943) 4.054 10.904 ( -2.915 2.459 3.319) 5.056 11.006 ( -3.657 -5.730 -0.473) 6.814 11.111 ( 4.282 3.333 -2.203) 5.856 11.196 ( 4.940 -5.542 -2.228) 7.751 11.259 ( -1.413 4.250 -2.479) 5.119 11.359 ( 0.348 -3.570 -0.805) 3.676 11.415 ( -2.039 6.900 0.736) 7.233 11.528 ( -5.367 2.092 -1.810) 6.038 11.633 ( -2.447 -4.989 2.270) 6.003 11.681 ( -4.150 -9.328 -5.026) 11.379 11.778 ( 0.059 7.228 3.649) 8.097 11.908 ( 3.831 -6.409 0.187) 7.469 12.144 ( 0.216 3.509 -3.211) 4.761 12.262 ( -1.343 -6.475 1.436) 6.767 12.360 ( 5.006 2.439 5.452) 7.793 12.446 ( 2.583 -1.270 0.760) 2.977 12.576 ( 1.342 -5.679 1.982) 6.163 12.600 ( 0.855 -5.216 1.773) 5.575 12.793 ( -2.004 4.354 -1.407) 4.995 12.838 ( 5.664 0.796 3.485) 6.698 12.873 ( 2.146 -3.677 -3.293) 5.382 12.892 ( 5.593 -2.791 -1.615) 6.456 13.055 ( 3.541 0.418 -2.323) 4.256 13.079 ( 4.234 -1.023 -0.597) 4.396 13.208 ( 3.483 2.836 -3.611) 5.763 13.252 ( 1.987 -0.339 -3.344) 3.904 13.613 ( 0.331 12.198 0.881) 12.235 13.757 ( 8.046 9.273 -1.452) 12.363 13.905 ( -1.926 -14.759 -0.118) 14.884 13.940 ( 6.524 -5.719 -4.846) 9.937 14.242 ( 2.145 -1.998 -3.276) 4.396 14.260 ( 0.224 2.854 1.204) 3.106 14.266 ( -0.157 0.641 -13.144) 13.161 14.404 ( 4.615 -5.064 -2.539) 7.306 14.819 ( -3.236 0.992 1.478) 3.693 14.873 ( 0.534 -2.952 0.314) 3.016 15.025 ( -3.226 11.232 3.452) 12.185 15.203 ( 1.763 0.834 -0.740) 2.086 15.232 ( 2.927 -3.896 2.336) 5.403 15.278 ( -4.020 -2.912 -3.519) 6.085 15.614 ( -1.056 7.122 5.196) 8.879 15.669 ( -2.246 1.605 2.505) 3.728 15.949 ( -5.699 1.906 8.672) 10.551 16.042 ( -2.647 -6.862 5.838) 9.390 16.451 ( 1.700 4.176 -3.277) 5.574 16.544 ( 0.725 -5.158 -3.403) 6.221 17.205 ( -4.540 2.224 2.681) 5.723 17.269 ( -3.996 -4.470 1.857) 6.277 17.414 ( -1.668 1.325 -2.881) 3.583 17.437 ( -2.089 -1.104 -2.433) 3.392 20.840 ( 1.421 2.210 -0.152) 2.632 20.892 ( 1.669 -2.641 -1.487) 3.460 21.070 ( 0.985 2.926 4.022) 5.070 21.182 ( 2.454 -8.042 1.668) 8.571 21.905 ( 0.331 5.842 3.361) 6.748 21.995 ( 0.454 -3.555 2.203) 4.207 22.310 ( 0.880 7.641 -0.913) 7.746 22.429 ( -0.101 -4.627 -3.562) 5.840 22.518 ( 0.822 5.703 1.976) 6.091 22.573 ( 1.099 1.096 1.730) 2.325 22.921 ( -0.750 9.492 -3.783) 10.246 23.059 ( 2.073 0.698 -1.206) 2.498 23.202 ( -1.453 0.344 -3.619) 3.915 23.366 ( 1.193 -9.917 3.504) 10.585 23.504 ( -2.691 2.023 -0.890) 3.482 23.622 ( -3.769 -9.941 4.122) 11.402 23.880 ( 3.696 3.336 -5.262) 7.244 23.952 ( 1.591 -4.048 -3.641) 5.672 24.181 ( -2.112 3.593 -3.237) 5.278 24.258 ( 1.816 -4.333 -5.779) 7.448 24.632 ( 1.360 4.499 8.046) 9.318 24.690 ( 2.474 -1.538 7.321) 7.879 25.260 ( -13.485 6.091 -0.284) 14.800 25.326 ( -10.576 -0.786 -3.072) 11.041 26.603 ( 1.100 0.540 0.483) 1.317 26.618 ( 1.157 -0.779 0.277) 1.422 26.708 ( 1.598 1.263 0.140) 2.042 26.759 ( 2.396 -3.616 -1.243) 4.512 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -3.287 5.492 4.829) 8.018 2.093 ( -6.680 -2.824 1.674) 7.443 2.296 ( 5.278 1.316 2.724) 6.084 2.354 ( 2.666 -1.314 4.094) 5.059 2.427 ( -18.438 8.934 0.339) 20.491 2.594 ( -6.814 -0.872 3.676) 7.792 2.643 ( -11.005 -1.575 -0.116) 11.117 2.688 ( -1.773 -2.487 1.070) 3.237 2.827 ( 2.078 2.213 -1.299) 3.302 2.920 ( -1.138 -7.603 -0.802) 7.729 3.088 ( -5.464 6.387 -1.493) 8.537 3.241 ( -3.760 -5.433 0.953) 6.676 3.328 ( 15.473 2.819 2.822) 15.979 3.402 ( 15.037 -1.863 -0.941) 15.181 3.417 ( 2.605 1.661 0.263) 3.100 3.493 ( 3.026 -4.565 1.908) 5.800 3.596 ( 5.404 3.022 3.008) 6.883 3.646 ( -0.086 0.143 4.563) 4.566 3.701 ( 9.763 -4.170 3.363) 11.136 3.721 ( 9.149 -2.976 2.027) 9.832 3.841 ( -8.234 2.267 -3.704) 9.309 3.898 ( -8.029 -3.433 -5.456) 10.296 4.069 ( -3.492 3.316 2.361) 5.363 4.128 ( -2.116 -2.406 5.637) 6.484 4.152 ( -0.773 4.059 -2.234) 4.697 4.276 ( -5.975 -6.992 -2.510) 9.533 4.429 ( -4.363 2.452 -2.359) 5.533 4.460 ( -2.399 -0.039 -3.331) 4.105 4.580 ( -1.672 2.774 -2.304) 3.975 4.610 ( -4.505 1.879 -2.248) 5.374 4.675 ( -5.104 6.003 0.811) 7.921 4.741 ( -6.372 1.194 -1.055) 6.568 4.799 ( -2.269 1.434 1.342) 3.001 4.841 ( -2.850 7.489 -1.948) 8.246 5.067 ( -1.302 4.360 -1.008) 4.660 5.078 ( -1.911 2.303 -2.727) 4.049 5.104 ( -0.749 0.510 1.353) 1.628 5.195 ( -4.581 -6.623 -1.889) 8.271 5.345 ( -5.292 0.994 -4.439) 6.979 5.420 ( 1.115 -2.052 0.797) 2.468 5.505 ( -4.273 2.603 2.341) 5.524 5.580 ( -0.955 -3.271 -5.334) 6.329 5.646 ( -5.404 6.574 4.503) 9.628 5.728 ( -1.074 -1.196 5.030) 5.281 5.784 ( 2.318 -1.707 3.546) 4.567 5.848 ( -2.174 -5.026 -1.372) 5.646 6.009 ( 3.288 2.866 0.788) 4.433 6.105 ( 6.961 -3.828 -1.860) 8.159 6.137 ( -2.196 5.162 -3.523) 6.624 6.250 ( -0.999 -3.828 -1.204) 4.136 6.344 ( 5.926 3.256 2.519) 7.215 6.383 ( 4.335 -1.352 -1.539) 4.795 6.500 ( -4.100 3.563 3.323) 6.368 6.529 ( -8.383 1.412 2.330) 8.814 6.594 ( -7.464 0.923 -0.915) 7.576 6.674 ( -4.226 -5.385 0.133) 6.847 6.784 ( 12.124 8.735 -3.799) 15.419 6.884 ( 6.044 2.022 -3.060) 7.070 6.899 ( 8.140 0.088 1.709) 8.317 6.993 ( 11.231 -4.787 -1.641) 12.318 7.057 ( 1.472 2.191 -5.727) 6.307 7.070 ( 1.195 1.081 -1.524) 2.218 7.153 ( 5.134 5.382 0.246) 7.442 7.314 ( 0.370 -5.997 -0.086) 6.009 7.370 ( -0.203 5.178 2.872) 5.924 7.555 ( 4.651 -12.461 1.576) 13.394 7.680 ( 3.309 5.242 -2.854) 6.824 7.776 ( 3.964 -3.082 -2.537) 5.625 8.224 ( -0.813 -2.358 4.093) 4.794 8.251 ( -0.496 -4.463 2.773) 5.278 8.427 ( -1.124 0.419 0.177) 1.212 8.480 ( 0.338 -3.973 -1.279) 4.188 8.521 ( -3.158 6.194 3.330) 7.709 8.601 ( -3.306 2.854 6.829) 8.106 8.664 ( -2.174 -4.630 3.941) 6.457 8.694 ( 3.037 -5.101 4.786) 7.625 8.798 ( -6.763 3.546 3.133) 8.254 8.861 ( 0.577 0.700 2.075) 2.264 8.940 ( -2.720 -2.613 -1.961) 4.251 8.951 ( 3.129 -3.950 -3.518) 6.146 9.029 ( 1.053 0.203 7.853) 7.926 9.050 ( -3.313 -1.959 6.700) 7.727 9.368 ( 3.793 3.036 0.454) 4.880 9.406 ( 0.877 -0.037 2.634) 2.777 9.546 ( 3.420 3.236 -10.854) 11.831 9.582 ( 2.983 -0.489 -7.649) 8.224 9.676 ( 4.013 3.116 0.598) 5.116 9.747 ( -0.786 -1.263 -0.256) 1.510 9.798 ( -1.821 1.685 0.468) 2.525 9.847 ( 0.560 -1.554 1.974) 2.574 9.963 ( 0.501 4.727 -3.220) 5.742 10.075 ( 1.162 -2.421 0.738) 2.785 10.110 ( 4.855 3.237 3.423) 6.765 10.244 ( -0.773 -6.122 4.792) 7.813 10.333 ( -6.075 3.073 -3.503) 7.656 10.377 ( -3.897 0.456 -2.742) 4.786 10.441 ( 1.585 2.563 -0.011) 3.013 10.480 ( 2.511 -1.896 -1.395) 3.442 10.644 ( 2.685 8.482 -2.414) 9.219 10.735 ( 1.289 -0.633 0.071) 1.438 10.823 ( -1.780 3.181 -3.009) 4.727 10.847 ( 1.341 2.609 7.957) 8.480 10.909 ( -2.440 -2.097 -0.758) 3.305 10.916 ( 5.493 -3.577 4.229) 7.801 11.132 ( -5.547 7.355 -0.077) 9.212 11.215 ( 2.753 -1.815 -0.689) 3.368 11.338 ( 1.844 6.033 -2.448) 6.767 11.374 ( 3.138 -0.366 -0.890) 3.282 11.398 ( 4.023 -1.402 0.706) 4.318 11.488 ( -3.955 -7.641 -4.733) 9.820 11.518 ( -0.256 -2.169 0.048) 2.184 11.598 ( -3.437 -9.565 -2.379) 10.438 11.852 ( 3.665 8.508 6.434) 11.279 11.986 ( 4.118 -1.262 -3.583) 5.602 12.099 ( -2.099 0.257 -1.088) 2.379 12.203 ( -3.882 -8.843 -1.838) 9.831 12.445 ( -0.314 4.325 4.773) 6.449 12.481 ( -1.982 4.387 5.019) 6.955 12.584 ( -1.053 -8.004 0.766) 8.110 12.599 ( -4.818 -7.364 5.134) 10.188 12.722 ( -4.333 3.267 -1.045) 5.527 12.793 ( -3.878 -3.246 -2.802) 5.781 12.843 ( -8.330 0.639 -4.159) 9.332 12.901 ( -4.804 -4.514 -4.014) 7.718 13.014 ( 0.001 6.970 0.207) 6.974 13.150 ( 1.699 -6.407 1.715) 6.847 13.236 ( 1.235 0.353 -2.094) 2.456 13.249 ( -0.352 -0.214 -3.414) 3.439 13.646 ( 0.485 12.596 1.053) 12.649 13.866 ( -0.125 4.818 1.497) 5.047 13.911 ( 4.113 -7.501 -2.003) 8.786 14.010 ( 1.764 -3.366 -3.684) 5.293 14.092 ( -2.953 6.355 -6.272) 9.404 14.219 ( -1.603 -6.465 -1.199) 6.768 14.372 ( 3.220 6.325 -9.043) 11.495 14.548 ( 8.194 -11.115 -4.493) 14.521 14.710 ( -7.845 6.534 -0.623) 10.228 14.797 ( -3.157 0.825 3.188) 4.562 14.924 ( -8.400 -1.058 0.098) 8.467 15.033 ( -0.142 -9.821 -1.256) 9.902 15.294 ( -0.021 4.830 0.778) 4.892 15.360 ( -1.081 -2.053 1.493) 2.759 15.695 ( 4.607 5.052 2.347) 7.229 15.716 ( 6.927 2.947 1.763) 7.732 15.909 ( -4.032 3.987 11.878) 13.162 16.029 ( -3.010 -7.501 6.838) 10.587 16.460 ( 1.143 3.848 -3.336) 5.220 16.538 ( 1.027 -4.114 -4.174) 5.950 17.170 ( -0.035 2.606 1.233) 2.883 17.243 ( 0.480 -4.931 0.961) 5.046 17.437 ( 5.577 0.942 -2.042) 6.013 17.454 ( 4.923 -0.836 -1.403) 5.187 20.859 ( 0.135 2.326 0.437) 2.371 20.901 ( -0.004 -1.141 -1.852) 2.175 21.098 ( -1.108 1.427 5.440) 5.732 21.209 ( -0.996 -9.330 2.262) 9.652 21.919 ( -1.591 6.001 3.979) 7.374 22.009 ( -0.895 -3.344 2.864) 4.493 22.283 ( -2.206 4.798 -2.122) 5.691 22.358 ( -2.915 -2.657 -3.908) 5.553 22.600 ( 4.437 5.956 3.526) 8.221 22.664 ( 5.270 1.304 3.639) 6.536 22.840 ( -3.763 6.527 -5.222) 9.167 23.000 ( -4.873 -6.057 -7.641) 10.901 23.172 ( -1.205 4.784 0.902) 5.016 23.322 ( -5.843 -7.730 1.933) 9.881 23.500 ( 2.958 5.931 -0.665) 6.661 23.639 ( 3.072 -7.863 2.498) 8.804 23.963 ( 6.910 2.553 -5.437) 9.155 24.000 ( 4.122 -1.673 -3.669) 5.767 24.126 ( -0.431 5.181 -1.186) 5.333 24.272 ( 5.102 -8.878 -5.877) 11.806 24.579 ( -11.212 5.351 6.607) 14.071 24.652 ( -11.431 -2.306 7.487) 13.858 25.234 ( 11.554 8.747 -1.565) 14.576 25.346 ( 12.917 -2.951 -1.812) 13.373 26.601 ( -1.594 0.613 0.373) 1.748 26.619 ( -1.319 -1.151 0.366) 1.788 26.707 ( -1.717 2.011 -0.051) 2.644 26.769 ( -0.621 -4.176 -0.865) 4.309 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -20.312 7.639 -3.993) 22.065 1.870 ( -13.471 3.197 4.373) 14.519 2.027 ( -10.002 11.786 4.079) 15.987 2.322 ( -13.222 -12.575 3.015) 18.494 2.380 ( -8.438 4.512 1.050) 9.626 2.514 ( 5.547 6.574 -1.850) 8.798 2.563 ( 1.097 -10.258 7.252) 12.610 2.653 ( -3.465 -5.852 -2.409) 7.215 2.832 ( -0.891 5.129 -1.955) 5.561 2.906 ( 0.390 -3.318 -3.842) 5.091 3.014 ( -2.769 5.812 1.248) 6.557 3.199 ( -0.228 -9.927 4.284) 10.814 3.390 ( -6.877 1.543 -0.797) 7.093 3.439 ( -6.068 -4.458 -1.025) 7.599 3.465 ( -13.673 12.520 -4.290) 19.029 3.498 ( -6.148 2.019 -8.581) 10.748 3.591 ( 0.118 3.265 4.213) 5.331 3.633 ( 1.303 -0.170 5.843) 5.988 3.730 ( -0.383 0.839 0.996) 1.357 3.775 ( 3.565 -1.515 -0.085) 3.874 3.861 ( 2.977 3.829 -1.112) 4.976 3.955 ( 5.717 -1.446 3.900) 7.071 4.082 ( 3.273 2.211 -0.737) 4.018 4.140 ( 2.818 0.016 4.709) 5.488 4.220 ( 3.160 -1.259 6.321) 7.178 4.237 ( 3.891 -1.776 0.918) 4.375 4.340 ( -2.771 2.108 1.179) 3.676 4.358 ( -0.831 -0.853 -7.931) 8.019 4.474 ( -5.543 4.059 1.689) 7.075 4.513 ( -5.666 3.636 -4.383) 8.033 4.615 ( 1.814 5.634 -1.070) 6.015 4.631 ( -6.989 -6.425 -1.000) 9.546 4.741 ( -0.150 -6.802 -1.990) 7.088 4.774 ( -4.415 -1.789 1.525) 5.002 4.951 ( -7.553 -10.215 -1.648) 12.810 5.007 ( -5.106 -6.172 -3.351) 8.683 5.108 ( -2.172 4.667 3.149) 6.035 5.147 ( -0.307 6.206 -0.454) 6.230 5.214 ( -3.708 13.068 -0.757) 13.606 5.394 ( -5.029 2.144 0.098) 5.468 5.431 ( -5.808 -2.030 -1.130) 6.255 5.526 ( 1.211 -7.788 -2.646) 8.314 5.585 ( -3.604 2.044 3.894) 5.686 5.678 ( -8.691 -5.741 3.332) 10.935 5.733 ( -5.073 2.855 2.879) 6.494 5.762 ( -6.839 -0.850 -3.894) 7.915 5.935 ( -9.846 3.306 -3.379) 10.922 6.043 ( -5.285 -3.279 -6.208) 8.788 6.114 ( -0.061 3.166 2.505) 4.037 6.178 ( 1.382 -2.540 0.633) 2.960 6.274 ( -5.598 6.042 1.284) 8.336 6.396 ( -5.264 1.444 4.042) 6.792 6.488 ( 1.383 4.455 -4.897) 6.763 6.572 ( 10.493 -0.207 -0.896) 10.534 6.643 ( 8.731 -4.650 1.059) 9.949 6.708 ( 0.068 -9.953 -0.774) 9.984 6.911 ( -0.682 3.272 -1.430) 3.635 6.993 ( 7.232 -2.484 -2.996) 8.213 7.080 ( 8.135 0.636 1.326) 8.267 7.145 ( 3.863 -4.010 2.865) 6.262 7.199 ( 17.658 4.620 -0.893) 18.274 7.240 ( 15.425 -0.401 0.847) 15.453 7.336 ( 9.611 3.845 -1.192) 10.420 7.415 ( 9.566 -3.597 2.397) 10.497 7.455 ( 7.046 9.680 1.056) 12.020 7.647 ( 2.967 -8.230 -0.886) 8.793 7.739 ( 2.341 6.946 -1.293) 7.443 7.867 ( 5.697 -3.437 -1.180) 6.757 8.227 ( -1.051 -0.519 1.618) 1.998 8.248 ( -4.430 -4.149 0.058) 6.070 8.326 ( -4.700 3.555 -1.907) 6.194 8.389 ( -7.135 -0.883 -2.495) 7.611 8.449 ( -4.156 2.027 1.874) 4.989 8.508 ( -3.601 -3.712 3.214) 6.089 8.633 ( -5.681 3.236 0.759) 6.582 8.703 ( -2.661 -3.768 5.854) 7.453 8.784 ( -3.686 3.545 1.689) 5.385 8.857 ( 2.069 -4.650 0.795) 5.151 8.938 ( -0.573 -0.934 0.424) 1.175 8.984 ( 6.092 -4.197 5.532) 9.237 9.151 ( 5.932 0.440 8.593) 10.451 9.158 ( 5.468 -0.559 5.680) 7.904 9.355 ( -2.758 1.695 -3.521) 4.783 9.405 ( -4.353 -3.078 -3.137) 6.185 9.547 ( 3.782 7.623 -3.515) 9.207 9.625 ( 5.974 0.893 -4.047) 7.270 9.694 ( -0.895 5.292 -1.968) 5.716 9.796 ( -1.517 -5.282 -1.233) 5.632 9.851 ( 6.560 3.036 1.019) 7.300 9.924 ( 9.599 -1.923 0.829) 9.825 9.981 ( 2.721 4.899 -0.312) 5.613 10.121 ( 0.244 -4.806 2.322) 5.343 10.196 ( 0.087 -0.484 1.601) 1.675 10.209 ( 3.673 -1.050 -3.406) 5.118 10.268 ( -2.088 2.271 1.345) 3.365 10.334 ( 0.126 -3.617 -0.420) 3.644 10.481 ( 2.865 1.639 1.489) 3.621 10.501 ( 0.702 0.170 0.863) 1.126 10.694 ( 0.952 9.018 1.104) 9.135 10.725 ( -1.104 8.768 1.407) 8.949 10.818 ( 5.168 -0.325 -6.223) 8.096 10.869 ( -0.265 -4.037 3.751) 5.517 10.985 ( 0.878 5.335 -0.548) 5.435 10.998 ( -2.718 5.740 3.205) 7.114 11.064 ( 6.080 -2.104 2.270) 6.823 11.221 ( -1.951 -9.099 -1.973) 9.512 11.342 ( 1.054 0.825 2.267) 2.633 11.368 ( -2.692 -1.482 -0.130) 3.076 11.406 ( -5.042 2.963 -0.142) 5.850 11.436 ( 2.745 1.536 -5.092) 5.985 11.586 ( 3.986 -8.004 -0.779) 8.976 11.590 ( 4.286 -7.952 -0.335) 9.040 11.966 ( 2.532 7.880 1.163) 8.359 11.992 ( 0.139 4.151 -3.350) 5.336 12.057 ( -3.142 -2.277 -2.130) 4.426 12.122 ( -2.779 -8.101 1.176) 8.645 12.390 ( -9.083 1.246 3.745) 9.904 12.415 ( -13.968 0.029 0.173) 13.969 12.439 ( -4.723 3.515 3.259) 6.730 12.505 ( -8.060 -3.455 -1.971) 8.988 12.572 ( -5.813 -1.143 -1.879) 6.216 12.647 ( -7.946 -5.410 -2.818) 10.017 12.750 ( -2.024 0.262 -0.095) 2.043 12.798 ( -1.947 -5.254 0.862) 5.669 13.001 ( -4.124 3.331 2.905) 6.045 13.092 ( -7.772 -6.200 2.901) 10.356 13.219 ( 1.917 2.073 -4.184) 5.047 13.284 ( 3.802 -2.761 -2.415) 5.283 13.577 ( -6.794 11.674 -4.066) 14.105 13.758 ( -7.977 -4.540 -7.218) 11.677 13.938 ( -0.695 5.744 -0.142) 5.787 13.996 ( -0.092 1.500 -4.482) 4.728 14.085 ( -0.039 2.524 -2.479) 3.538 14.170 ( -3.265 -1.383 -0.024) 3.546 14.282 ( -0.750 -3.752 -5.999) 7.115 14.373 ( -9.200 -11.855 -7.203) 16.645 14.703 ( -1.112 3.075 -2.706) 4.244 14.800 ( -1.713 -5.753 -0.754) 6.050 14.912 ( 3.025 10.127 9.988) 14.542 15.138 ( 3.383 -12.330 8.556) 15.385 15.261 ( 1.299 3.185 -4.374) 5.564 15.298 ( -0.998 -0.872 -4.322) 4.520 15.754 ( -0.544 8.335 3.893) 9.216 15.848 ( 4.235 0.414 -2.005) 4.704 15.991 ( 3.330 1.593 11.875) 12.435 16.037 ( -1.087 -4.608 10.583) 11.594 16.447 ( -0.098 4.202 -3.693) 5.595 16.526 ( 0.845 -3.742 -4.595) 5.985 17.225 ( 4.632 2.597 1.205) 5.446 17.300 ( 4.627 -5.114 0.796) 6.943 17.580 ( 9.346 0.587 -1.917) 9.558 17.588 ( 8.757 -0.124 -1.011) 8.816 20.841 ( -1.857 2.426 -1.229) 3.293 20.868 ( -1.507 0.381 -2.289) 2.767 21.099 ( -2.483 -1.113 5.053) 5.739 21.171 ( -4.375 -8.785 1.858) 9.988 21.896 ( -3.012 6.343 3.859) 8.012 21.996 ( -2.348 -3.827 3.129) 5.473 22.212 ( -3.369 3.576 -1.928) 5.278 22.278 ( -3.123 -2.702 -2.208) 4.683 22.674 ( -2.013 8.991 -3.942) 10.022 22.736 ( 2.549 5.199 1.118) 5.897 22.822 ( 1.346 -3.292 -0.212) 3.563 22.842 ( -1.389 -5.595 -2.431) 6.257 23.152 ( -1.126 2.079 0.434) 2.404 23.242 ( -3.605 -6.168 3.575) 7.989 23.591 ( 4.756 7.452 0.714) 8.869 23.697 ( 1.181 -4.283 0.181) 4.446 23.982 ( 1.931 5.740 -11.382) 12.893 24.051 ( 3.315 -2.939 -3.260) 5.500 24.200 ( 6.136 6.760 0.382) 9.137 24.346 ( -0.738 -4.718 -2.078) 5.208 24.429 ( -5.464 4.560 6.327) 9.523 24.555 ( 4.535 -8.077 5.949) 11.009 25.533 ( 17.048 10.589 -0.251) 20.070 25.665 ( 18.376 -2.967 -0.664) 18.626 26.552 ( -3.346 0.908 0.271) 3.478 26.576 ( -3.166 -1.475 0.356) 3.511 26.644 ( -4.382 2.625 -0.326) 5.118 26.725 ( -3.323 -5.592 -0.834) 6.558 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -14.506 21.257 -3.616) 25.988 1.645 ( -11.065 11.946 5.726) 17.261 1.864 ( -12.124 2.260 -3.233) 12.750 2.075 ( -9.130 -4.541 7.433) 12.619 2.276 ( -3.741 -11.957 8.026) 14.879 2.297 ( -17.772 -17.531 1.750) 25.025 2.614 ( 3.800 7.163 -2.204) 8.403 2.746 ( 2.929 -2.235 -5.196) 6.369 2.806 ( -1.262 18.658 8.655) 20.606 2.909 ( 3.116 0.471 -2.434) 3.982 2.980 ( -1.538 11.010 1.540) 11.224 3.143 ( -3.500 0.030 -9.398) 10.029 3.251 ( -6.332 -3.967 -4.408) 8.676 3.278 ( -5.076 -2.572 8.465) 10.200 3.348 ( -1.708 16.442 -1.324) 16.584 3.408 ( -3.697 1.360 1.266) 4.138 3.514 ( -5.339 9.209 2.715) 10.986 3.587 ( -5.622 -8.558 4.053) 11.013 3.622 ( -3.281 -5.485 6.475) 9.098 3.843 ( 4.058 -4.083 -0.507) 5.779 4.003 ( 3.739 3.777 -1.613) 5.554 4.070 ( -1.971 1.696 -1.896) 3.218 4.126 ( 5.507 1.059 -6.191) 8.353 4.169 ( -2.113 2.725 2.465) 4.239 4.244 ( 0.690 1.054 -0.758) 1.470 4.278 ( 1.840 -4.261 -0.926) 4.733 4.310 ( -4.258 2.168 -4.359) 6.468 4.334 ( -0.220 -1.693 -0.012) 1.707 4.388 ( 1.881 -8.000 1.430) 8.341 4.460 ( -0.048 -4.182 -2.659) 4.956 4.553 ( -0.154 -5.992 1.066) 6.088 4.645 ( -5.378 -16.122 1.278) 17.043 4.717 ( 1.758 7.859 2.362) 8.392 4.758 ( -4.374 0.764 -0.719) 4.498 4.820 ( -4.035 -2.432 0.925) 4.801 4.891 ( -1.877 -5.775 0.060) 6.073 5.068 ( -1.505 3.920 2.199) 4.740 5.135 ( -3.555 5.034 -0.707) 6.203 5.154 ( 2.308 12.147 -2.946) 12.710 5.261 ( -4.695 5.734 -2.681) 7.881 5.332 ( -11.611 -2.103 -4.238) 12.538 5.381 ( -1.886 -2.199 -4.665) 5.491 5.521 ( -6.493 -0.250 0.601) 6.526 5.597 ( -1.424 -3.907 2.559) 4.883 5.622 ( -3.209 6.878 5.994) 9.671 5.722 ( -1.240 1.339 8.042) 8.247 5.797 ( -5.118 -2.470 0.097) 5.684 5.931 ( -7.549 -9.668 1.053) 12.311 6.069 ( 3.457 5.984 -3.855) 7.913 6.201 ( 1.346 0.387 -1.723) 2.220 6.322 ( 2.685 4.444 4.047) 6.583 6.424 ( 2.076 -2.548 2.327) 4.026 6.466 ( 5.245 -4.594 -7.837) 10.490 6.598 ( -3.925 -9.331 -3.978) 10.877 6.709 ( 4.851 1.387 -6.930) 8.572 6.814 ( 4.102 -6.565 -2.765) 8.220 6.972 ( 6.497 3.051 -3.119) 7.826 7.078 ( 3.517 -6.101 0.137) 7.044 7.151 ( -1.114 2.745 1.249) 3.215 7.234 ( 5.300 -4.624 -2.122) 7.346 7.427 ( -0.310 3.815 -3.286) 5.045 7.498 ( 7.541 1.247 1.445) 7.779 7.522 ( 6.988 2.608 8.479) 11.293 7.585 ( 2.221 -2.522 2.139) 3.984 7.663 ( 12.683 7.462 3.910) 15.226 7.718 ( 5.925 2.636 0.316) 6.493 7.797 ( 4.996 0.058 5.799) 7.655 7.886 ( -3.301 -5.847 2.918) 7.321 8.044 ( -6.481 6.295 -3.948) 9.860 8.175 ( -3.926 -6.357 -3.606) 8.296 8.264 ( -4.519 5.867 -0.751) 7.444 8.347 ( -4.586 -1.905 2.646) 5.626 8.424 ( 6.611 2.891 -0.426) 7.228 8.491 ( -0.478 -1.458 0.072) 1.536 8.581 ( 0.133 2.743 1.169) 2.985 8.680 ( -2.682 -2.506 2.157) 4.257 8.727 ( -1.664 -1.308 4.045) 4.565 8.816 ( -3.095 -5.459 -1.872) 6.548 9.031 ( 0.263 1.693 -7.264) 7.463 9.059 ( 6.987 -1.636 -5.772) 9.209 9.227 ( -0.074 2.113 -2.307) 3.129 9.283 ( 1.695 -2.765 1.202) 3.459 9.343 ( 0.562 0.364 9.372) 9.395 9.366 ( 3.130 -0.912 8.637) 9.232 9.582 ( 4.052 8.458 -4.759) 10.517 9.707 ( 4.201 -4.261 -5.825) 8.350 9.732 ( 5.460 3.751 1.687) 6.835 9.805 ( 3.156 -3.622 1.865) 5.154 9.974 ( 4.010 5.653 2.529) 7.378 10.002 ( -0.184 2.105 0.292) 2.133 10.075 ( 2.782 -1.813 2.590) 4.211 10.119 ( -0.066 -4.830 -0.883) 4.910 10.205 ( 2.842 3.673 -2.003) 5.058 10.268 ( -0.143 4.141 -0.399) 4.162 10.290 ( -1.722 -1.838 1.984) 3.206 10.351 ( 4.739 -3.022 1.676) 5.865 10.493 ( -5.219 7.523 5.652) 10.760 10.576 ( -0.643 4.250 4.136) 5.965 10.645 ( 2.361 2.327 3.128) 4.558 10.803 ( -6.050 -9.088 2.971) 11.314 10.834 ( 2.910 6.018 -2.800) 7.247 10.898 ( 4.211 6.773 -4.160) 8.995 10.934 ( 5.090 2.694 -3.150) 6.564 11.058 ( 3.167 -2.879 -0.185) 4.284 11.131 ( 0.512 2.241 0.926) 2.478 11.219 ( 1.759 -6.847 -1.466) 7.220 11.312 ( -0.708 3.195 0.014) 3.273 11.351 ( -2.323 -0.047 -0.700) 2.427 11.398 ( 1.199 -2.996 3.931) 5.087 11.430 ( -0.351 -9.419 -1.895) 9.614 11.619 ( -0.202 -0.724 -2.540) 2.649 11.646 ( 0.183 -2.971 0.670) 3.051 11.875 ( -7.398 4.125 -0.152) 8.471 11.934 ( -6.590 0.452 -0.642) 6.636 11.961 ( -5.742 3.015 -3.671) 7.452 12.036 ( -8.213 -4.213 -1.973) 9.440 12.191 ( -3.365 2.483 0.254) 4.190 12.265 ( -3.849 -5.047 -0.021) 6.347 12.354 ( -4.335 0.993 -0.925) 4.543 12.391 ( -3.697 -1.564 4.842) 6.290 12.439 ( -4.509 2.041 -3.384) 5.995 12.499 ( -5.524 -0.679 0.296) 5.574 12.673 ( -6.448 0.145 1.178) 6.556 12.794 ( -1.235 -10.206 1.561) 10.399 12.927 ( -2.017 0.208 -3.044) 3.657 12.988 ( -2.090 -4.884 -1.035) 5.413 13.218 ( -2.831 3.841 -5.120) 6.999 13.290 ( -1.424 -1.737 -9.910) 10.162 13.425 ( -1.788 7.858 -0.944) 8.114 13.519 ( -6.428 -0.886 -9.729) 11.694 13.894 ( -4.013 2.791 5.477) 7.341 13.965 ( -5.132 -2.294 5.155) 7.627 14.047 ( 0.955 1.523 -0.299) 1.822 14.081 ( 0.157 -3.991 -0.916) 4.098 14.312 ( 4.144 -1.077 -1.922) 4.694 14.361 ( 4.471 -5.887 -0.863) 7.442 14.627 ( -3.355 3.391 -3.271) 5.784 14.703 ( -4.929 -3.659 -3.556) 7.094 14.945 ( -3.913 6.727 1.274) 7.886 15.053 ( -6.667 -4.057 -7.591) 10.887 15.351 ( 5.606 3.937 -0.093) 6.851 15.421 ( 7.619 -2.713 7.043) 10.725 15.767 ( -1.604 6.709 7.920) 10.503 15.867 ( -0.124 -1.994 -0.167) 2.005 16.089 ( 0.464 0.855 4.745) 4.844 16.122 ( 0.724 -3.067 11.090) 11.529 16.420 ( 0.206 5.535 -3.400) 6.499 16.523 ( 1.655 -4.645 -3.037) 5.792 17.341 ( 5.031 2.464 2.486) 6.129 17.412 ( 4.991 -4.770 1.947) 7.173 17.735 ( 7.198 0.894 -2.668) 7.728 17.745 ( 7.162 -0.202 -1.906) 7.414 20.790 ( -1.471 2.563 -1.837) 3.479 20.828 ( -0.843 -0.631 -2.140) 2.385 21.060 ( -4.581 -2.864 1.561) 5.623 21.071 ( -5.153 -3.677 0.092) 6.331 21.866 ( -2.458 5.989 3.984) 7.601 21.967 ( -2.659 -4.136 3.572) 6.078 22.144 ( -1.984 4.257 -1.005) 4.803 22.221 ( -1.566 -3.229 -0.248) 3.597 22.585 ( -2.369 6.296 -3.295) 7.491 22.689 ( -3.199 -3.917 -1.674) 5.327 22.851 ( 4.191 5.654 -1.150) 7.131 22.945 ( 3.063 -2.781 3.655) 5.520 23.145 ( 0.192 1.514 1.173) 1.925 23.217 ( -1.794 -5.131 3.553) 6.494 23.639 ( 0.165 3.701 -1.351) 3.943 23.692 ( -0.311 -1.498 -1.829) 2.385 23.969 ( 2.769 3.974 -7.104) 8.598 24.069 ( 0.558 -6.953 -2.829) 7.527 24.211 ( -2.600 3.529 -1.457) 4.619 24.283 ( -2.738 -3.640 -0.085) 4.556 24.577 ( 13.002 11.640 5.701) 18.358 24.786 ( 11.466 -9.945 0.238) 15.180 25.837 ( 12.470 12.387 2.063) 17.697 26.000 ( 15.195 -3.766 -0.538) 15.664 26.489 ( -2.893 1.019 0.218) 3.075 26.512 ( -3.135 -1.288 0.168) 3.393 26.551 ( -4.204 2.285 -0.324) 4.795 26.632 ( -5.354 -6.349 -1.060) 8.373 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.168 0.000 27.011) 27.098 1.348 ( -3.215 0.000 31.304) 31.469 1.587 ( 3.128 0.000 5.154) 6.030 1.890 ( -0.282 0.000 -25.605) 25.606 1.988 ( 0.054 0.000 0.992) 0.994 2.174 ( -2.658 0.000 -15.752) 15.975 2.637 ( 2.984 0.000 0.261) 2.995 2.656 ( -1.786 0.000 -3.076) 3.557 2.919 ( -0.526 0.000 11.043) 11.056 2.963 ( 0.080 0.000 1.569) 1.571 2.976 ( 2.522 0.000 7.255) 7.681 3.113 ( -3.884 0.000 -4.334) 5.819 3.184 ( 2.428 0.000 4.317) 4.953 3.302 ( 4.788 0.000 16.123) 16.819 3.321 ( 1.945 0.000 -5.468) 5.804 3.454 ( -4.078 0.000 5.230) 6.632 3.465 ( -0.982 0.000 0.436) 1.075 3.618 ( -1.113 0.000 -7.759) 7.838 3.694 ( 0.165 0.000 0.670) 0.690 3.766 ( 1.788 0.000 -1.522) 2.348 3.882 ( -5.154 0.000 -0.259) 5.161 3.970 ( 4.321 0.000 -6.270) 7.615 4.099 ( -0.033 0.000 3.511) 3.511 4.164 ( -2.604 0.000 1.800) 3.166 4.189 ( 2.212 0.000 -7.055) 7.393 4.194 ( -1.003 0.000 0.757) 1.256 4.199 ( 2.125 0.000 -10.536) 10.748 4.203 ( -4.057 0.000 -4.267) 5.888 4.350 ( 5.456 0.000 0.872) 5.526 4.437 ( -3.423 0.000 -7.649) 8.380 4.505 ( 4.900 0.000 -1.780) 5.213 4.518 ( -0.292 0.000 -2.614) 2.630 4.700 ( 3.304 0.000 2.132) 3.932 4.709 ( -0.158 0.000 3.253) 3.257 4.789 ( -10.849 0.000 5.386) 12.113 4.940 ( 3.597 0.000 -3.582) 5.076 4.985 ( -7.636 0.000 9.597) 12.264 5.148 ( 2.348 0.000 -2.075) 3.134 5.184 ( 4.247 0.000 -2.048) 4.715 5.224 ( 2.537 0.000 -10.544) 10.845 5.267 ( -1.669 0.000 2.651) 3.133 5.295 ( -0.847 0.000 -2.877) 2.999 5.470 ( 5.566 0.000 2.106) 5.951 5.505 ( -8.624 0.000 0.130) 8.625 5.584 ( 4.659 0.000 4.892) 6.755 5.734 ( -4.682 0.000 -10.378) 11.385 5.859 ( 13.316 0.000 -0.959) 13.351 5.881 ( -9.697 0.000 -1.536) 9.818 6.227 ( 0.503 0.000 13.127) 13.136 6.358 ( -4.862 0.000 2.683) 5.553 6.404 ( 1.589 0.000 -1.410) 2.125 6.515 ( 1.791 0.000 -13.464) 13.583 6.659 ( 7.000 0.000 9.883) 12.111 6.804 ( -5.923 0.000 -6.843) 9.050 6.931 ( 4.233 0.000 6.366) 7.645 7.074 ( -1.184 0.000 -5.422) 5.550 7.157 ( 6.285 0.000 8.034) 10.201 7.188 ( -1.508 0.000 -0.174) 1.518 7.223 ( 4.671 0.000 -2.449) 5.274 7.237 ( -18.244 0.000 2.415) 18.403 7.346 ( -1.064 0.000 -1.905) 2.182 7.435 ( 11.325 0.000 -1.914) 11.486 7.474 ( -2.683 0.000 1.804) 3.233 7.517 ( -11.598 0.000 -2.754) 11.921 7.569 ( -3.623 0.000 0.544) 3.664 7.594 ( 8.614 0.000 -3.920) 9.464 7.870 ( 13.202 0.000 3.369) 13.625 7.971 ( -8.233 0.000 -7.003) 10.809 8.001 ( 4.683 0.000 5.929) 7.556 8.077 ( -10.229 0.000 -1.056) 10.283 8.110 ( -3.050 0.000 9.762) 10.228 8.316 ( 1.042 0.000 -5.998) 6.088 8.434 ( -1.372 0.000 1.855) 2.308 8.447 ( 3.473 0.000 -0.251) 3.482 8.612 ( -15.853 0.000 3.515) 16.238 8.619 ( 12.263 0.000 3.256) 12.688 8.803 ( 8.115 0.000 1.004) 8.177 8.911 ( -3.124 0.000 -8.043) 8.628 9.133 ( -0.261 0.000 2.974) 2.985 9.139 ( 2.183 0.000 2.769) 3.526 9.294 ( -0.137 0.000 -1.222) 1.229 9.298 ( -1.276 0.000 -0.418) 1.343 9.389 ( 0.963 0.000 3.860) 3.978 9.429 ( 2.504 0.000 0.358) 2.529 9.578 ( -6.417 0.000 0.104) 6.418 9.590 ( -0.469 0.000 -0.220) 0.518 9.706 ( 1.216 0.000 2.660) 2.925 9.790 ( -1.049 0.000 -6.560) 6.644 9.957 ( 5.683 0.000 0.561) 5.711 9.968 ( -6.854 0.000 1.419) 6.999 10.031 ( 1.700 0.000 3.727) 4.096 10.106 ( -3.722 0.000 0.169) 3.726 10.124 ( -0.500 0.000 0.106) 0.511 10.152 ( 1.714 0.000 -4.210) 4.546 10.170 ( 2.793 0.000 1.606) 3.222 10.288 ( 1.386 0.000 -9.116) 9.221 10.527 ( 3.535 0.000 -1.824) 3.978 10.531 ( 0.100 0.000 -2.171) 2.173 10.638 ( 1.560 0.000 3.871) 4.173 10.679 ( -1.864 0.000 0.297) 1.887 10.924 ( 1.083 0.000 2.857) 3.056 10.969 ( 4.111 0.000 0.437) 4.134 10.979 ( -5.101 0.000 7.119) 8.758 11.052 ( -3.175 0.000 5.122) 6.027 11.152 ( 1.942 0.000 -7.457) 7.705 11.213 ( -6.608 0.000 -4.007) 7.728 11.245 ( -17.185 0.000 3.916) 17.625 11.320 ( 13.605 0.000 -3.987) 14.177 11.528 ( -1.795 0.000 4.934) 5.250 11.576 ( 7.109 0.000 2.802) 7.642 11.712 ( -0.032 0.000 -5.051) 5.051 11.730 ( -0.647 0.000 -4.590) 4.635 11.899 ( 6.329 0.000 3.493) 7.228 11.945 ( -5.281 0.000 -0.998) 5.375 11.996 ( 1.046 0.000 6.616) 6.698 12.126 ( 0.364 0.000 -7.561) 7.570 12.142 ( -2.811 0.000 1.814) 3.345 12.174 ( 5.021 0.000 -1.713) 5.306 12.336 ( 3.527 0.000 3.634) 5.064 12.402 ( -5.754 0.000 4.122) 7.078 12.435 ( 3.276 0.000 -5.220) 6.162 12.470 ( 2.931 0.000 -3.240) 4.369 12.643 ( -1.346 0.000 14.415) 14.477 12.853 ( 0.197 0.000 12.368) 12.369 12.893 ( 1.596 0.000 -11.501) 11.611 12.947 ( 1.162 0.000 0.912) 1.478 12.961 ( -3.976 0.000 -2.766) 4.844 13.056 ( 0.447 0.000 -7.359) 7.373 13.151 ( 2.423 0.000 0.771) 2.542 13.255 ( -4.827 0.000 -8.105) 9.434 13.890 ( 0.578 0.000 2.373) 2.442 14.011 ( 5.026 0.000 -9.875) 11.081 14.260 ( -0.764 0.000 2.387) 2.506 14.293 ( 0.902 0.000 -0.807) 1.211 14.425 ( 2.168 0.000 4.482) 4.979 14.508 ( -7.008 0.000 -2.933) 7.597 14.539 ( -0.475 0.000 2.222) 2.272 14.569 ( 0.656 0.000 -0.603) 0.891 14.648 ( 7.690 0.000 7.015) 10.409 14.766 ( -2.611 0.000 -5.265) 5.877 15.277 ( 0.118 0.000 5.696) 5.697 15.391 ( -1.346 0.000 -5.966) 6.115 15.746 ( 0.151 0.000 2.691) 2.696 15.766 ( -1.605 0.000 0.318) 1.637 16.166 ( -3.033 0.000 1.571) 3.415 16.202 ( 2.414 0.000 -2.139) 3.226 16.689 ( 4.210 0.000 3.114) 5.236 16.758 ( -5.133 0.000 -3.727) 6.344 17.477 ( -0.027 0.000 5.670) 5.670 17.586 ( -0.236 0.000 -5.469) 5.474 17.687 ( 0.217 0.000 3.892) 3.898 17.758 ( 0.277 0.000 -3.277) 3.289 20.733 ( 1.750 0.000 0.383) 1.791 20.743 ( -1.334 0.000 -0.561) 1.447 21.004 ( -2.196 0.000 1.302) 2.553 21.045 ( -1.575 0.000 -2.913) 3.311 21.824 ( -2.031 0.000 6.169) 6.494 21.929 ( 1.547 0.000 -4.644) 4.895 22.138 ( -1.548 0.000 5.580) 5.791 22.229 ( 0.443 0.000 -4.419) 4.441 22.263 ( -3.095 0.000 4.365) 5.351 22.365 ( 2.481 0.000 -5.377) 5.922 22.859 ( 1.649 0.000 2.866) 3.307 22.896 ( -0.605 0.000 -0.417) 0.735 23.262 ( -0.391 0.000 2.930) 2.956 23.282 ( 1.192 0.000 0.595) 1.332 23.682 ( -0.924 0.000 4.888) 4.974 23.824 ( 2.541 0.000 -9.240) 9.583 23.829 ( 7.178 0.000 7.213) 10.176 23.976 ( -7.366 0.000 -7.454) 10.479 24.286 ( 0.117 0.000 4.201) 4.202 24.381 ( -0.914 0.000 -5.457) 5.533 25.007 ( 4.286 0.000 4.660) 6.332 25.095 ( -2.123 0.000 -4.340) 4.831 25.962 ( 10.734 0.000 0.386) 10.741 25.966 ( -4.849 0.000 0.075) 4.850 26.455 ( 0.869 0.000 0.615) 1.065 26.469 ( -1.362 0.000 -0.825) 1.592 26.520 ( -8.502 0.000 0.088) 8.502 26.521 ( 4.711 0.000 0.096) 4.712 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.561 0.000 17.966) 17.975 1.368 ( -5.464 0.000 -10.296) 11.656 1.901 ( 13.806 0.000 -15.173) 20.514 1.937 ( 16.365 0.000 17.992) 24.321 2.190 ( 10.734 0.000 -1.830) 10.889 2.233 ( 13.902 0.000 -2.783) 14.178 2.692 ( 8.338 0.000 -2.533) 8.714 2.702 ( 2.878 0.000 0.398) 2.905 2.924 ( -5.239 0.000 -2.085) 5.639 2.949 ( -0.762 0.000 3.356) 3.441 3.079 ( 3.475 0.000 -3.881) 5.209 3.101 ( 7.192 0.000 7.870) 10.662 3.237 ( -1.818 0.000 -8.228) 8.426 3.274 ( 4.610 0.000 2.253) 5.131 3.445 ( 4.493 0.000 -9.166) 10.208 3.530 ( 0.741 0.000 19.992) 20.006 3.566 ( 9.338 0.000 0.994) 9.391 3.703 ( 8.942 0.000 -0.810) 8.979 3.708 ( -6.939 0.000 -0.619) 6.966 3.733 ( -1.363 0.000 -5.598) 5.761 3.789 ( 2.209 0.000 5.108) 5.565 3.984 ( -2.682 0.000 3.348) 4.290 4.067 ( -8.219 0.000 -0.690) 8.248 4.101 ( 9.830 0.000 -7.284) 12.235 4.160 ( 3.444 0.000 5.803) 6.748 4.161 ( 1.625 0.000 -1.855) 2.466 4.223 ( 3.175 0.000 -9.182) 9.715 4.287 ( -5.267 0.000 -5.762) 7.806 4.344 ( -1.112 0.000 -2.287) 2.543 4.387 ( 7.633 0.000 7.067) 10.402 4.557 ( 1.384 0.000 -1.518) 2.054 4.637 ( 2.057 0.000 3.484) 4.046 4.645 ( 6.655 0.000 -3.021) 7.309 4.737 ( -0.617 0.000 0.681) 0.919 4.794 ( -6.732 0.000 2.801) 7.292 4.994 ( -3.263 0.000 1.034) 3.423 5.024 ( 7.061 0.000 5.516) 8.960 5.075 ( 8.851 0.000 -5.203) 10.267 5.088 ( -4.996 0.000 4.560) 6.764 5.251 ( -0.974 0.000 4.746) 4.845 5.251 ( -1.629 0.000 -2.161) 2.706 5.412 ( 13.503 0.000 -10.943) 17.380 5.526 ( -6.813 0.000 -2.102) 7.130 5.556 ( 8.238 0.000 -2.322) 8.558 5.625 ( 0.021 0.000 -4.641) 4.641 5.720 ( 4.427 0.000 6.705) 8.035 5.768 ( 5.727 0.000 0.026) 5.727 6.020 ( 1.218 0.000 -2.212) 2.525 6.208 ( -8.923 0.000 1.700) 9.084 6.297 ( -0.304 0.000 10.716) 10.720 6.421 ( 1.976 0.000 2.439) 3.139 6.457 ( 1.738 0.000 -10.954) 11.091 6.567 ( -11.018 0.000 -8.487) 13.908 6.762 ( -3.637 0.000 5.302) 6.429 6.884 ( -18.918 0.000 5.628) 19.737 6.907 ( -8.408 0.000 4.048) 9.332 6.910 ( -7.757 0.000 -7.571) 10.839 7.099 ( -17.570 0.000 -0.108) 17.570 7.158 ( -0.289 0.000 0.538) 0.610 7.231 ( -7.468 0.000 1.092) 7.548 7.294 ( -5.111 0.000 0.085) 5.112 7.437 ( 4.440 0.000 -4.115) 6.054 7.503 ( 1.070 0.000 -3.414) 3.577 7.516 ( 1.135 0.000 13.258) 13.306 7.659 ( 7.132 0.000 1.447) 7.278 7.717 ( -6.309 0.000 -7.221) 9.589 7.867 ( 14.604 0.000 -1.687) 14.701 7.910 ( -3.856 0.000 -0.275) 3.865 8.030 ( -3.485 0.000 2.760) 4.445 8.092 ( -5.258 0.000 6.023) 7.995 8.163 ( 10.490 0.000 3.680) 11.117 8.305 ( -9.549 0.000 5.847) 11.197 8.311 ( 4.348 0.000 -2.757) 5.149 8.474 ( 0.908 0.000 1.588) 1.829 8.502 ( 1.953 0.000 -3.185) 3.736 8.796 ( -3.211 0.000 -5.893) 6.711 8.887 ( 9.681 0.000 4.391) 10.630 8.963 ( 7.302 0.000 -0.457) 7.317 9.087 ( -4.989 0.000 -0.225) 4.994 9.171 ( 0.472 0.000 -4.513) 4.538 9.174 ( -10.522 0.000 0.907) 10.561 9.250 ( -2.155 0.000 3.400) 4.026 9.376 ( -4.528 0.000 -0.262) 4.536 9.412 ( -2.964 0.000 -2.256) 3.725 9.486 ( 0.592 0.000 5.607) 5.638 9.503 ( -8.229 0.000 2.370) 8.564 9.784 ( 2.070 0.000 2.380) 3.155 9.788 ( 2.453 0.000 -5.511) 6.032 9.880 ( -0.915 0.000 1.784) 2.005 10.013 ( -4.401 0.000 -2.653) 5.139 10.066 ( -4.584 0.000 6.973) 8.345 10.090 ( -7.553 0.000 -3.206) 8.205 10.111 ( 6.615 0.000 -0.204) 6.618 10.137 ( 2.663 0.000 1.096) 2.880 10.268 ( 6.231 0.000 -5.358) 8.217 10.285 ( 8.355 0.000 -1.518) 8.492 10.469 ( -7.608 0.000 -0.941) 7.666 10.491 ( -5.126 0.000 0.572) 5.158 10.580 ( -7.275 0.000 -1.199) 7.373 10.605 ( -0.800 0.000 -4.211) 4.287 10.917 ( -9.141 0.000 -0.288) 9.146 10.939 ( -2.430 0.000 1.149) 2.688 10.947 ( -6.366 0.000 4.579) 7.842 10.957 ( 0.740 0.000 6.543) 6.584 11.124 ( 0.801 0.000 -4.105) 4.183 11.172 ( 0.754 0.000 1.825) 1.974 11.186 ( 1.982 0.000 9.481) 9.686 11.423 ( -0.833 0.000 -0.781) 1.142 11.452 ( -4.981 0.000 -0.481) 5.004 11.684 ( -1.468 0.000 1.918) 2.415 11.694 ( -1.296 0.000 -0.851) 1.550 11.698 ( 4.665 0.000 -7.706) 9.008 11.876 ( 5.426 0.000 -1.912) 5.753 11.924 ( -6.394 0.000 1.993) 6.698 12.131 ( 6.052 0.000 2.178) 6.431 12.202 ( 9.320 0.000 -6.297) 11.247 12.237 ( 11.648 0.000 3.663) 12.211 12.357 ( 8.406 0.000 -9.233) 12.486 12.358 ( -1.537 0.000 3.881) 4.174 12.422 ( 4.201 0.000 -5.527) 6.942 12.510 ( 8.453 0.000 6.739) 10.811 12.661 ( 13.439 0.000 -5.721) 14.606 12.794 ( 5.846 0.000 9.898) 11.495 12.854 ( 3.089 0.000 -8.198) 8.760 12.949 ( 3.388 0.000 -4.715) 5.806 13.008 ( 3.184 0.000 3.736) 4.908 13.037 ( 10.204 0.000 9.145) 13.702 13.111 ( 2.250 0.000 -0.660) 2.345 13.141 ( 5.585 0.000 -13.600) 14.702 13.234 ( 3.016 0.000 5.907) 6.632 13.938 ( 3.073 0.000 0.317) 3.090 14.008 ( -2.416 0.000 -10.935) 11.198 14.187 ( -1.214 0.000 -5.247) 5.386 14.225 ( 0.052 0.000 4.397) 4.397 14.392 ( -3.739 0.000 0.120) 3.741 14.577 ( 0.488 0.000 0.714) 0.865 14.583 ( -0.612 0.000 1.615) 1.726 14.664 ( 13.364 0.000 -0.454) 13.372 14.700 ( 3.591 0.000 -3.090) 4.738 14.865 ( 9.413 0.000 -0.048) 9.413 15.307 ( -3.254 0.000 -4.253) 5.355 15.322 ( -0.048 0.000 6.699) 6.699 15.690 ( -5.918 0.000 1.031) 6.007 15.716 ( -4.992 0.000 2.761) 5.705 16.144 ( -0.302 0.000 2.015) 2.038 16.255 ( 3.674 0.000 -1.107) 3.837 16.562 ( -11.943 0.000 -0.300) 11.947 16.737 ( -1.263 0.000 2.141) 2.486 17.463 ( -5.165 0.000 6.161) 8.040 17.501 ( -4.455 0.000 -5.578) 7.138 17.655 ( -5.423 0.000 3.149) 6.271 17.675 ( -5.832 0.000 -3.977) 7.059 20.729 ( 0.492 0.000 -1.001) 1.116 20.784 ( 3.017 0.000 -0.140) 3.021 21.070 ( 4.368 0.000 2.666) 5.117 21.090 ( 7.713 0.000 2.595) 8.137 21.811 ( -3.269 0.000 6.022) 6.853 21.921 ( 1.037 0.000 -4.564) 4.680 22.181 ( 1.441 0.000 6.693) 6.847 22.249 ( 4.023 0.000 -3.427) 5.284 22.268 ( 0.550 0.000 4.967) 4.997 22.404 ( 4.374 0.000 -4.567) 6.324 22.843 ( -3.773 0.000 -1.852) 4.203 22.885 ( -0.314 0.000 0.619) 0.694 23.287 ( 2.199 0.000 0.782) 2.334 23.320 ( 2.412 0.000 -1.648) 2.921 23.697 ( -1.341 0.000 3.937) 4.159 23.789 ( -4.111 0.000 -8.444) 9.392 23.821 ( 2.098 0.000 -8.080) 8.348 24.047 ( 9.470 0.000 7.530) 12.099 24.294 ( -4.523 0.000 -3.546) 5.747 24.296 ( -2.305 0.000 4.958) 5.468 24.901 ( -11.824 0.000 -8.547) 14.590 24.946 ( -11.340 0.000 6.301) 12.973 25.737 ( -14.525 0.000 -6.457) 15.896 25.849 ( -17.129 0.000 4.738) 17.772 26.481 ( 2.754 0.000 -0.547) 2.808 26.492 ( 3.226 0.000 0.801) 3.324 26.582 ( 9.177 0.000 -2.703) 9.567 26.655 ( 5.855 0.000 3.349) 6.746 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 15.898 0.000 -0.800) 15.918 1.615 ( 16.678 0.000 9.860) 19.374 2.072 ( 17.018 0.000 -17.845) 24.659 2.285 ( 3.580 0.000 1.937) 4.070 2.436 ( 6.725 0.000 -0.333) 6.733 2.471 ( 18.949 0.000 21.606) 28.738 2.696 ( -7.604 0.000 -4.803) 8.994 2.728 ( 1.861 0.000 -3.433) 3.905 2.879 ( -0.656 0.000 -0.398) 0.768 2.947 ( -0.609 0.000 -1.278) 1.416 3.194 ( 12.162 0.000 0.354) 12.167 3.242 ( -1.283 0.000 -4.515) 4.694 3.283 ( -12.897 0.000 7.753) 15.048 3.327 ( 7.508 0.000 3.948) 8.483 3.434 ( 4.086 0.000 1.312) 4.292 3.541 ( 7.939 0.000 -4.853) 9.305 3.611 ( -6.264 0.000 3.608) 7.229 3.670 ( 0.995 0.000 1.460) 1.767 3.738 ( -7.898 0.000 0.043) 7.898 3.801 ( 10.469 0.000 -3.667) 11.093 3.893 ( 2.265 0.000 0.194) 2.273 3.936 ( 0.682 0.000 -8.141) 8.169 4.106 ( -4.996 0.000 7.179) 8.747 4.134 ( -2.617 0.000 -5.267) 5.881 4.181 ( 9.407 0.000 -8.789) 12.874 4.184 ( 10.325 0.000 8.202) 13.186 4.305 ( 8.654 0.000 -5.706) 10.366 4.328 ( -6.204 0.000 0.018) 6.204 4.407 ( 3.699 0.000 -0.869) 3.800 4.446 ( 4.535 0.000 5.356) 7.018 4.662 ( 6.574 0.000 8.178) 10.493 4.677 ( -3.746 0.000 -2.782) 4.666 4.687 ( -1.245 0.000 3.482) 3.698 4.723 ( 8.445 0.000 -5.800) 10.245 4.900 ( 12.263 0.000 9.158) 15.306 4.902 ( -8.121 0.000 -3.088) 8.688 4.990 ( 7.426 0.000 2.151) 7.732 5.161 ( 2.683 0.000 -5.599) 6.209 5.214 ( -3.680 0.000 1.451) 3.956 5.295 ( 5.411 0.000 -1.185) 5.539 5.377 ( 8.816 0.000 12.942) 15.659 5.451 ( 4.597 0.000 -7.948) 9.182 5.513 ( 5.169 0.000 0.585) 5.202 5.637 ( 2.599 0.000 -4.425) 5.132 5.686 ( 7.930 0.000 -6.417) 10.201 5.813 ( -2.171 0.000 2.765) 3.516 5.894 ( -4.333 0.000 -2.936) 5.234 5.955 ( 9.962 0.000 -0.296) 9.966 6.024 ( -15.758 0.000 -0.342) 15.762 6.307 ( -3.620 0.000 -5.332) 6.445 6.372 ( 1.587 0.000 4.606) 4.872 6.506 ( -7.008 0.000 4.882) 8.541 6.537 ( 6.783 0.000 1.482) 6.943 6.579 ( -13.098 0.000 3.846) 13.651 6.629 ( 0.843 0.000 -2.309) 2.458 6.735 ( -4.928 0.000 0.096) 4.929 6.816 ( -10.930 0.000 2.779) 11.278 6.837 ( -1.135 0.000 -2.971) 3.181 7.007 ( -13.967 0.000 -2.059) 14.118 7.094 ( -8.059 0.000 2.171) 8.346 7.125 ( -8.781 0.000 -0.558) 8.799 7.224 ( -14.966 0.000 -1.324) 15.025 7.469 ( -16.251 0.000 -6.082) 17.352 7.506 ( 5.045 0.000 -7.006) 8.634 7.578 ( -5.491 0.000 3.124) 6.318 7.758 ( -1.093 0.000 3.541) 3.706 7.903 ( -7.211 0.000 -2.756) 7.720 7.922 ( -7.193 0.000 3.000) 7.794 8.146 ( 15.153 0.000 4.886) 15.921 8.173 ( 14.748 0.000 -2.024) 14.887 8.286 ( 4.111 0.000 1.116) 4.260 8.336 ( 5.504 0.000 10.819) 12.139 8.450 ( -2.394 0.000 -4.316) 4.935 8.460 ( 4.623 0.000 1.480) 4.854 8.565 ( 7.583 0.000 4.177) 8.657 8.805 ( 5.550 0.000 1.083) 5.655 8.966 ( -7.913 0.000 4.358) 9.033 9.010 ( 1.520 0.000 1.126) 1.892 9.048 ( -2.513 0.000 2.268) 3.386 9.064 ( 1.809 0.000 1.096) 2.115 9.120 ( -1.889 0.000 -7.010) 7.260 9.228 ( -1.586 0.000 -0.238) 1.604 9.287 ( -4.202 0.000 2.211) 4.748 9.319 ( -4.805 0.000 -4.269) 6.428 9.394 ( -0.841 0.000 2.377) 2.522 9.541 ( 0.171 0.000 2.576) 2.581 9.708 ( -7.035 0.000 -5.696) 9.051 9.761 ( -1.945 0.000 -5.292) 5.639 9.848 ( -9.217 0.000 -1.373) 9.318 9.934 ( 1.637 0.000 4.546) 4.831 10.027 ( -1.560 0.000 2.994) 3.376 10.064 ( 3.135 0.000 7.753) 8.363 10.145 ( -4.809 0.000 -3.482) 5.937 10.221 ( 5.373 0.000 -4.323) 6.897 10.265 ( -5.636 0.000 5.962) 8.204 10.291 ( -4.276 0.000 -4.805) 6.432 10.365 ( -3.662 0.000 -2.501) 4.434 10.473 ( 5.260 0.000 5.251) 7.432 10.545 ( 6.704 0.000 -4.647) 8.157 10.558 ( -0.879 0.000 -6.555) 6.614 10.774 ( -6.852 0.000 4.342) 8.112 10.914 ( 0.941 0.000 2.790) 2.944 10.932 ( -1.383 0.000 3.886) 4.125 11.049 ( 3.082 0.000 3.296) 4.512 11.115 ( 2.586 0.000 -1.077) 2.801 11.150 ( -4.145 0.000 1.843) 4.537 11.219 ( -3.807 0.000 3.604) 5.242 11.350 ( -3.321 0.000 -8.760) 9.368 11.413 ( 0.797 0.000 1.163) 1.410 11.608 ( -2.428 0.000 1.025) 2.635 11.654 ( -2.988 0.000 0.592) 3.046 11.680 ( -2.655 0.000 -4.864) 5.541 11.810 ( -4.709 0.000 2.071) 5.145 12.074 ( 7.550 0.000 -7.108) 10.370 12.255 ( 4.004 0.000 -4.590) 6.091 12.270 ( 3.878 0.000 9.084) 9.877 12.373 ( 0.373 0.000 4.739) 4.753 12.472 ( 10.058 0.000 0.654) 10.079 12.513 ( 13.556 0.000 -2.110) 13.719 12.568 ( 11.969 0.000 -2.049) 12.143 12.732 ( 9.619 0.000 3.334) 10.181 12.816 ( 6.729 0.000 -8.485) 10.830 12.912 ( 1.089 0.000 7.184) 7.266 12.938 ( 5.143 0.000 4.260) 6.678 12.961 ( -0.146 0.000 -5.669) 5.671 13.051 ( 1.347 0.000 -6.608) 6.744 13.079 ( 2.026 0.000 0.046) 2.026 13.193 ( -3.520 0.000 6.696) 7.564 13.307 ( 11.478 0.000 -7.592) 13.762 13.365 ( 8.292 0.000 6.835) 10.746 13.815 ( -5.894 0.000 -11.762) 13.157 13.919 ( -3.376 0.000 -5.482) 6.439 14.234 ( 8.662 0.000 -11.439) 14.349 14.350 ( 0.781 0.000 3.031) 3.130 14.425 ( 3.809 0.000 8.748) 9.541 14.499 ( -4.579 0.000 -4.069) 6.125 14.594 ( 3.899 0.000 6.585) 7.653 14.772 ( 6.139 0.000 -0.322) 6.148 14.956 ( 2.635 0.000 -4.432) 5.156 15.002 ( 16.354 0.000 -0.002) 16.354 15.236 ( -3.566 0.000 2.064) 4.120 15.343 ( -1.687 0.000 3.358) 3.758 15.582 ( -5.089 0.000 1.447) 5.290 15.600 ( -7.549 0.000 0.937) 7.607 16.174 ( 1.139 0.000 3.731) 3.901 16.312 ( 2.510 0.000 -1.265) 2.811 16.342 ( -10.972 0.000 5.051) 12.079 16.678 ( -3.783 0.000 -3.265) 4.997 17.366 ( -4.768 0.000 -5.746) 7.467 17.368 ( -8.249 0.000 5.888) 10.134 17.521 ( -6.228 0.000 -2.989) 6.908 17.545 ( -6.517 0.000 1.724) 6.741 20.750 ( 2.209 0.000 -0.664) 2.307 20.834 ( 2.214 0.000 -0.992) 2.426 21.222 ( 5.326 0.000 10.844) 12.082 21.284 ( 10.063 0.000 1.190) 10.134 21.784 ( -3.107 0.000 5.892) 6.661 21.916 ( 1.450 0.000 -4.483) 4.712 22.261 ( 1.498 0.000 8.338) 8.472 22.326 ( 5.461 0.000 -2.294) 5.923 22.338 ( 2.728 0.000 5.307) 5.967 22.457 ( 3.387 0.000 -3.229) 4.680 22.743 ( -4.769 0.000 -1.856) 5.117 22.851 ( -2.140 0.000 -3.422) 4.036 23.323 ( 0.188 0.000 -7.071) 7.073 23.362 ( 5.023 0.000 -1.130) 5.149 23.649 ( -3.981 0.000 -3.044) 5.011 23.678 ( -2.639 0.000 -2.633) 3.728 23.875 ( 7.144 0.000 -5.716) 9.150 24.130 ( -5.428 0.000 -2.922) 6.165 24.268 ( -2.701 0.000 3.779) 4.645 24.317 ( 7.867 0.000 8.611) 11.664 24.633 ( -6.232 0.000 -11.484) 13.066 24.735 ( -13.525 0.000 7.695) 15.561 25.383 ( -14.543 0.000 -9.838) 17.558 25.518 ( -19.803 0.000 7.129) 21.047 26.547 ( 3.869 0.000 -0.647) 3.922 26.565 ( 3.098 0.000 0.883) 3.221 26.722 ( 6.934 0.000 -3.600) 7.813 26.755 ( 1.829 0.000 3.963) 4.365 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 16.771 0.000 12.223) 20.753 2.023 ( 17.984 0.000 5.530) 18.815 2.272 ( 7.680 0.000 -10.352) 12.889 2.374 ( 2.586 0.000 5.073) 5.694 2.506 ( 3.238 0.000 -3.441) 4.725 2.507 ( -7.035 0.000 -6.092) 9.306 2.745 ( 0.191 0.000 1.028) 1.045 2.777 ( 4.746 0.000 -8.616) 9.837 2.884 ( -2.424 0.000 0.461) 2.468 2.912 ( -20.508 0.000 4.155) 20.925 3.060 ( 9.105 0.000 15.287) 17.793 3.130 ( -3.480 0.000 6.418) 7.301 3.337 ( 2.559 0.000 -0.031) 2.559 3.466 ( 1.884 0.000 6.732) 6.990 3.511 ( -1.558 0.000 5.492) 5.709 3.568 ( 3.581 0.000 0.746) 3.658 3.640 ( 6.359 0.000 1.319) 6.494 3.712 ( -2.332 0.000 -1.096) 2.577 3.785 ( 0.802 0.000 3.041) 3.145 3.879 ( 8.014 0.000 -12.813) 15.113 3.880 ( 2.440 0.000 -2.157) 3.256 3.969 ( -11.962 0.000 -3.833) 12.561 3.990 ( 4.518 0.000 -2.524) 5.175 4.056 ( -1.522 0.000 -5.121) 5.343 4.210 ( -0.543 0.000 5.761) 5.786 4.308 ( 3.537 0.000 -5.181) 6.274 4.367 ( 0.341 0.000 8.111) 8.118 4.392 ( -2.202 0.000 5.448) 5.876 4.427 ( 2.467 0.000 -2.759) 3.701 4.447 ( -1.636 0.000 0.202) 1.649 4.615 ( 2.281 0.000 2.128) 3.119 4.679 ( -0.917 0.000 1.743) 1.970 4.865 ( 16.736 0.000 -20.355) 26.352 4.889 ( 2.690 0.000 -1.435) 3.049 4.919 ( 10.891 0.000 -10.133) 14.876 5.001 ( -12.551 0.000 5.729) 13.796 5.113 ( -2.918 0.000 -1.489) 3.276 5.138 ( -0.918 0.000 3.792) 3.901 5.254 ( 5.080 0.000 12.088) 13.112 5.294 ( 0.760 0.000 -5.251) 5.306 5.329 ( -23.704 0.000 -2.409) 23.827 5.566 ( 5.507 0.000 -5.972) 8.123 5.586 ( 1.517 0.000 3.741) 4.037 5.695 ( 11.493 0.000 -1.382) 11.576 5.748 ( 9.742 0.000 8.744) 13.090 5.802 ( 7.691 0.000 -4.568) 8.945 6.000 ( 2.147 0.000 0.480) 2.200 6.058 ( 20.068 0.000 9.287) 22.112 6.071 ( 2.100 0.000 -4.543) 5.005 6.173 ( -5.514 0.000 8.148) 9.839 6.312 ( -5.959 0.000 -1.674) 6.190 6.412 ( -8.963 0.000 3.511) 9.626 6.488 ( 5.983 0.000 -8.428) 10.336 6.579 ( -5.307 0.000 1.490) 5.512 6.612 ( -10.964 0.000 -2.998) 11.366 6.623 ( -0.537 0.000 5.860) 5.885 6.695 ( -11.720 0.000 -7.111) 13.709 6.771 ( -3.820 0.000 -1.583) 4.135 6.871 ( -7.230 0.000 -3.205) 7.908 6.898 ( 10.469 0.000 4.784) 11.510 6.982 ( -13.061 0.000 -2.455) 13.290 7.097 ( -3.949 0.000 1.381) 4.184 7.180 ( 2.251 0.000 0.707) 2.360 7.506 ( -4.121 0.000 3.882) 5.662 7.509 ( -3.057 0.000 -7.096) 7.727 7.613 ( -7.641 0.000 -1.861) 7.865 7.778 ( -2.893 0.000 -2.218) 3.645 7.805 ( -3.556 0.000 -1.504) 3.861 8.329 ( 3.397 0.000 -0.047) 3.397 8.358 ( 1.257 0.000 2.722) 2.998 8.401 ( 7.738 0.000 -0.447) 7.751 8.502 ( -0.182 0.000 -1.558) 1.568 8.550 ( 11.195 0.000 3.185) 11.639 8.617 ( 10.927 0.000 15.862) 19.261 8.690 ( 0.153 0.000 3.354) 3.357 8.839 ( -4.026 0.000 5.918) 7.158 8.939 ( -8.731 0.000 -3.619) 9.451 8.961 ( 3.218 0.000 5.443) 6.323 9.004 ( -0.911 0.000 -1.189) 1.498 9.056 ( 0.943 0.000 -0.242) 0.974 9.114 ( 1.402 0.000 -2.500) 2.866 9.163 ( -3.215 0.000 -4.827) 5.800 9.269 ( -0.792 0.000 6.873) 6.919 9.286 ( 2.281 0.000 -0.310) 2.302 9.446 ( 5.087 0.000 -3.289) 6.058 9.504 ( -3.381 0.000 -0.611) 3.435 9.559 ( -2.336 0.000 -5.102) 5.611 9.663 ( -5.398 0.000 -3.581) 6.477 9.711 ( -5.467 0.000 2.855) 6.167 9.852 ( -6.185 0.000 -6.547) 9.006 9.972 ( -3.499 0.000 5.499) 6.518 10.119 ( -1.190 0.000 -0.635) 1.349 10.151 ( 2.264 0.000 5.567) 6.010 10.246 ( 0.904 0.000 3.680) 3.789 10.276 ( 2.305 0.000 2.021) 3.065 10.279 ( 4.352 0.000 -5.472) 6.992 10.346 ( 3.234 0.000 -0.700) 3.308 10.461 ( -1.796 0.000 -5.870) 6.139 10.570 ( -0.409 0.000 -4.593) 4.611 10.574 ( -8.723 0.000 1.441) 8.841 10.718 ( 5.851 0.000 6.918) 9.060 10.958 ( 0.188 0.000 8.448) 8.450 10.999 ( -2.870 0.000 -1.053) 3.057 11.022 ( -2.402 0.000 6.099) 6.555 11.129 ( -0.781 0.000 1.084) 1.336 11.153 ( -1.672 0.000 -2.285) 2.832 11.197 ( 1.536 0.000 2.276) 2.746 11.258 ( 7.562 0.000 -15.690) 17.418 11.419 ( 0.765 0.000 -1.856) 2.007 11.530 ( -8.298 0.000 -0.623) 8.322 11.602 ( -2.984 0.000 2.908) 4.166 11.646 ( 4.522 0.000 -5.123) 6.833 11.808 ( 2.470 0.000 3.749) 4.489 11.993 ( -6.630 0.000 -4.392) 7.953 12.344 ( -3.933 0.000 11.641) 12.288 12.398 ( 8.885 0.000 -4.520) 9.968 12.462 ( 4.366 0.000 8.477) 9.535 12.606 ( 1.672 0.000 1.769) 2.434 12.685 ( 6.023 0.000 -6.761) 9.054 12.748 ( -2.122 0.000 1.727) 2.736 12.850 ( 2.702 0.000 -4.881) 5.579 12.879 ( 5.077 0.000 -1.515) 5.298 12.934 ( -3.526 0.000 -0.302) 3.539 12.974 ( 5.958 0.000 4.178) 7.277 12.980 ( 1.653 0.000 -2.595) 3.077 13.059 ( -1.942 0.000 6.415) 6.702 13.152 ( 9.719 0.000 -3.883) 10.466 13.186 ( -0.065 0.000 1.222) 1.224 13.473 ( -3.462 0.000 3.698) 5.066 13.478 ( 9.558 0.000 -4.790) 10.691 13.682 ( 0.442 0.000 -10.555) 10.564 13.809 ( -2.898 0.000 -5.604) 6.309 14.319 ( -5.176 0.000 -0.825) 5.241 14.328 ( 7.515 0.000 -11.032) 13.348 14.402 ( -4.846 0.000 3.338) 5.884 14.409 ( -0.657 0.000 -2.958) 3.030 14.762 ( 3.217 0.000 6.085) 6.883 14.862 ( 1.675 0.000 -0.398) 1.722 15.058 ( 7.066 0.000 7.671) 10.430 15.177 ( -3.204 0.000 4.526) 5.545 15.240 ( 3.008 0.000 -2.994) 4.244 15.333 ( 5.620 0.000 1.361) 5.783 15.469 ( -4.150 0.000 -5.198) 6.652 15.510 ( -3.909 0.000 0.160) 3.913 16.211 ( -3.697 0.000 14.314) 14.783 16.249 ( -0.890 0.000 4.024) 4.121 16.327 ( 0.225 0.000 -2.299) 2.310 16.573 ( -2.316 0.000 -9.134) 9.423 17.241 ( -7.264 0.000 4.399) 8.493 17.277 ( 0.399 0.000 -5.496) 5.511 17.434 ( -1.182 0.000 -0.672) 1.360 17.453 ( -3.354 0.000 0.729) 3.433 20.797 ( 2.257 0.000 0.248) 2.271 20.850 ( 0.081 0.000 -1.594) 1.596 21.366 ( 0.880 0.000 12.132) 12.164 21.470 ( 8.189 0.000 -1.059) 8.257 21.779 ( -1.099 0.000 5.929) 6.030 21.909 ( 0.567 0.000 -4.667) 4.701 22.339 ( 0.632 0.000 8.477) 8.501 22.421 ( 5.179 0.000 -2.116) 5.595 22.423 ( 1.758 0.000 5.528) 5.800 22.495 ( 1.961 0.000 -0.812) 2.122 22.649 ( -3.724 0.000 -0.133) 3.726 22.772 ( -2.053 0.000 -6.656) 6.965 23.242 ( -2.476 0.000 -7.888) 8.268 23.360 ( -4.016 0.000 -8.513) 9.413 23.619 ( 6.463 0.000 -4.760) 8.027 23.629 ( -3.598 0.000 2.474) 4.367 23.972 ( 4.210 0.000 -2.863) 5.091 24.005 ( -5.821 0.000 0.841) 5.882 24.300 ( 4.546 0.000 3.471) 5.720 24.454 ( -2.040 0.000 4.788) 5.204 24.547 ( 3.665 0.000 -7.607) 8.444 24.558 ( -7.719 0.000 4.891) 9.138 25.151 ( 0.399 0.000 -8.208) 8.217 25.191 ( -17.899 0.000 7.312) 19.335 26.607 ( 2.433 0.000 -0.732) 2.541 26.609 ( 0.679 0.000 0.616) 0.917 26.782 ( -1.366 0.000 3.311) 3.581 26.807 ( 4.023 0.000 -3.046) 5.046 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -6.046 0.000 7.582) 9.697 2.042 ( -21.806 0.000 -8.896) 23.551 2.207 ( -25.801 0.000 1.013) 25.821 2.354 ( 8.390 0.000 6.340) 10.516 2.380 ( 0.416 0.000 1.005) 1.088 2.481 ( -1.677 0.000 -2.495) 3.006 2.652 ( -1.237 0.000 6.153) 6.276 2.742 ( -3.443 0.000 1.774) 3.874 2.842 ( 2.438 0.000 3.490) 4.257 3.031 ( 14.403 0.000 -8.025) 16.488 3.225 ( 7.738 0.000 0.084) 7.738 3.233 ( 9.906 0.000 -0.263) 9.910 3.450 ( -8.422 0.000 -13.170) 15.632 3.510 ( 2.698 0.000 -0.905) 2.846 3.526 ( -4.366 0.000 -0.329) 4.378 3.530 ( -8.362 0.000 13.425) 15.816 3.598 ( 3.369 0.000 5.446) 6.404 3.754 ( 0.258 0.000 -2.134) 2.150 3.778 ( -2.319 0.000 0.428) 2.358 3.783 ( -1.726 0.000 -1.876) 2.549 3.830 ( -9.072 0.000 0.512) 9.086 3.984 ( 9.782 0.000 -5.311) 11.130 3.997 ( -2.183 0.000 -0.846) 2.341 4.015 ( 0.601 0.000 -5.431) 5.464 4.199 ( -8.017 0.000 4.645) 9.266 4.285 ( -2.184 0.000 0.333) 2.209 4.354 ( -8.586 0.000 8.216) 11.883 4.376 ( -0.491 0.000 1.640) 1.712 4.451 ( 2.718 0.000 1.248) 2.991 4.480 ( 2.364 0.000 -0.077) 2.366 4.547 ( -13.723 0.000 4.922) 14.579 4.651 ( -5.077 0.000 3.482) 6.156 4.761 ( -6.014 0.000 3.594) 7.006 4.769 ( 1.763 0.000 -2.836) 3.339 4.872 ( 0.512 0.000 -5.267) 5.292 5.084 ( 2.071 0.000 -4.125) 4.616 5.093 ( -2.784 0.000 3.479) 4.456 5.199 ( 8.374 0.000 -4.422) 9.470 5.228 ( 2.002 0.000 1.126) 2.297 5.293 ( 7.550 0.000 -1.651) 7.728 5.410 ( 1.014 0.000 8.224) 8.286 5.587 ( -1.847 0.000 -15.575) 15.685 5.611 ( -2.976 0.000 2.209) 3.707 5.745 ( -3.580 0.000 -8.743) 9.448 5.792 ( -3.814 0.000 -0.898) 3.919 5.808 ( -1.141 0.000 -0.579) 1.279 5.995 ( -3.393 0.000 0.442) 3.422 6.056 ( -1.796 0.000 0.159) 1.803 6.227 ( 2.007 0.000 7.031) 7.312 6.236 ( -18.454 0.000 -5.451) 19.242 6.318 ( 11.042 0.000 -7.331) 13.254 6.422 ( -12.606 0.000 -1.871) 12.744 6.470 ( 6.100 0.000 1.916) 6.394 6.497 ( 9.215 0.000 4.508) 10.258 6.506 ( 3.380 0.000 3.579) 4.923 6.642 ( 12.906 0.000 -0.921) 12.939 6.731 ( -0.507 0.000 -3.605) 3.640 6.775 ( 15.095 0.000 10.468) 18.370 6.828 ( 3.242 0.000 -7.348) 8.031 6.859 ( 13.251 0.000 2.697) 13.523 6.998 ( -9.284 0.000 -4.071) 10.138 7.087 ( 5.671 0.000 3.542) 6.686 7.286 ( -8.159 0.000 -8.498) 11.780 7.343 ( 3.557 0.000 9.310) 9.966 7.524 ( 6.167 0.000 6.072) 8.655 7.567 ( 0.366 0.000 -2.452) 2.479 7.746 ( 0.091 0.000 0.690) 0.696 7.807 ( 4.338 0.000 -1.488) 4.586 8.349 ( -3.828 0.000 0.107) 3.830 8.360 ( -2.359 0.000 1.711) 2.914 8.412 ( -7.243 0.000 -3.518) 8.053 8.491 ( 1.663 0.000 0.204) 1.676 8.606 ( -7.737 0.000 -1.097) 7.814 8.716 ( 1.005 0.000 2.331) 2.538 8.774 ( -6.588 0.000 -1.404) 6.736 8.824 ( 5.845 0.000 7.066) 9.170 8.951 ( 4.065 0.000 14.126) 14.699 8.967 ( -3.393 0.000 -2.651) 4.306 9.005 ( 3.381 0.000 0.040) 3.381 9.058 ( -3.343 0.000 -4.827) 5.871 9.074 ( 0.239 0.000 1.219) 1.242 9.095 ( 0.846 0.000 -7.572) 7.620 9.271 ( -2.418 0.000 3.468) 4.228 9.361 ( 4.339 0.000 -0.449) 4.363 9.426 ( -3.490 0.000 -1.195) 3.689 9.483 ( -2.005 0.000 -1.388) 2.438 9.548 ( 1.468 0.000 -3.492) 3.788 9.629 ( 3.684 0.000 0.201) 3.690 9.710 ( 9.029 0.000 5.999) 10.840 9.815 ( 5.258 0.000 -6.261) 8.176 9.977 ( 0.307 0.000 5.958) 5.966 10.118 ( 3.791 0.000 -6.467) 7.496 10.179 ( -1.750 0.000 6.178) 6.421 10.240 ( -5.746 0.000 -4.865) 7.529 10.266 ( -4.549 0.000 4.701) 6.542 10.355 ( 2.794 0.000 -1.588) 3.214 10.381 ( 0.208 0.000 -1.401) 1.417 10.395 ( 0.354 0.000 0.283) 0.453 10.482 ( 0.903 0.000 0.422) 0.996 10.588 ( 4.890 0.000 -0.903) 4.973 10.824 ( -6.322 0.000 -4.299) 7.645 10.911 ( 3.260 0.000 6.880) 7.613 10.966 ( -5.867 0.000 12.264) 13.595 11.051 ( -5.370 0.000 -0.920) 5.448 11.078 ( 2.163 0.000 4.038) 4.580 11.145 ( 3.127 0.000 -0.587) 3.182 11.185 ( 3.357 0.000 -8.427) 9.071 11.339 ( -5.009 0.000 -6.326) 8.069 11.451 ( 11.759 0.000 -8.949) 14.777 11.495 ( 4.102 0.000 2.671) 4.895 11.573 ( -0.524 0.000 2.177) 2.239 11.700 ( 4.005 0.000 -6.566) 7.691 11.831 ( -6.925 0.000 -0.358) 6.934 11.912 ( 3.742 0.000 5.291) 6.480 12.288 ( -7.999 0.000 7.713) 11.112 12.477 ( 0.051 0.000 -0.746) 0.748 12.560 ( -6.086 0.000 6.866) 9.175 12.620 ( 3.197 0.000 6.764) 7.481 12.630 ( -3.255 0.000 -4.452) 5.515 12.704 ( -2.262 0.000 -9.836) 10.093 12.767 ( -11.483 0.000 5.118) 12.572 12.813 ( -4.743 0.000 3.223) 5.734 12.923 ( -3.896 0.000 3.313) 5.114 12.958 ( 2.692 0.000 -2.689) 3.805 13.087 ( -6.753 0.000 0.608) 6.781 13.138 ( 2.866 0.000 -6.904) 7.476 13.151 ( 3.959 0.000 -1.797) 4.348 13.280 ( 6.870 0.000 -7.743) 10.351 13.327 ( -10.765 0.000 4.580) 11.698 13.573 ( 5.670 0.000 -8.872) 10.529 13.715 ( 2.896 0.000 3.852) 4.819 13.717 ( -2.078 0.000 -6.960) 7.263 14.190 ( -7.722 0.000 3.098) 8.320 14.354 ( -0.514 0.000 2.605) 2.655 14.371 ( 4.449 0.000 -7.301) 8.549 14.471 ( 7.004 0.000 -3.490) 7.826 14.791 ( -7.228 0.000 0.805) 7.273 14.799 ( -3.854 0.000 6.058) 7.180 15.163 ( -1.960 0.000 4.887) 5.266 15.246 ( 2.923 0.000 -4.363) 5.251 15.268 ( 6.369 0.000 6.353) 8.996 15.315 ( -4.945 0.000 -14.104) 14.946 15.429 ( -1.117 0.000 -0.922) 1.449 15.494 ( 5.246 0.000 1.709) 5.518 16.271 ( -0.433 0.000 4.715) 4.735 16.300 ( -0.954 0.000 -3.132) 3.274 16.303 ( 2.466 0.000 17.991) 18.159 16.486 ( 0.566 0.000 -11.272) 11.286 17.181 ( -0.933 0.000 4.111) 4.216 17.329 ( 7.830 0.000 -4.547) 9.055 17.431 ( 0.879 0.000 -0.041) 0.880 17.459 ( 3.635 0.000 -0.087) 3.636 20.816 ( -2.219 0.000 -1.793) 2.853 20.827 ( 0.297 0.000 0.801) 0.855 21.395 ( -4.359 0.000 6.854) 8.123 21.566 ( 3.813 0.000 -6.261) 7.331 21.816 ( 0.599 0.000 4.635) 4.674 21.885 ( 0.767 0.000 -5.034) 5.092 22.375 ( -2.255 0.000 4.005) 4.597 22.452 ( -2.047 0.000 3.601) 4.142 22.457 ( -0.097 0.000 -4.374) 4.375 22.508 ( -0.072 0.000 -3.499) 3.500 22.641 ( 1.827 0.000 6.347) 6.604 22.707 ( 0.131 0.000 -6.275) 6.276 23.194 ( 0.817 0.000 4.777) 4.846 23.230 ( -2.385 0.000 -5.264) 5.779 23.541 ( -6.717 0.000 3.215) 7.447 23.708 ( 3.129 0.000 -5.446) 6.281 23.924 ( -4.261 0.000 2.361) 4.871 24.026 ( 3.641 0.000 -1.259) 3.852 24.336 ( -6.009 0.000 -0.269) 6.015 24.364 ( -3.999 0.000 9.350) 10.169 24.553 ( 2.884 0.000 -3.527) 4.556 24.648 ( 9.632 0.000 -4.352) 10.569 24.986 ( -4.313 0.000 8.884) 9.876 25.299 ( 15.502 0.000 -4.236) 16.071 26.597 ( -2.149 0.000 0.331) 2.174 26.624 ( -0.244 0.000 -0.945) 0.976 26.749 ( -4.094 0.000 2.978) 5.063 26.843 ( 1.776 0.000 -2.955) 3.447 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -31.567 0.000 -2.714) 31.684 1.661 ( -29.842 0.000 13.917) 32.927 1.892 ( -4.073 0.000 -8.894) 9.782 2.372 ( -1.974 0.000 -5.531) 5.873 2.410 ( -1.802 0.000 3.256) 3.722 2.583 ( 4.750 0.000 4.823) 6.769 2.667 ( -5.346 0.000 2.731) 6.003 2.707 ( 3.550 0.000 -1.546) 3.872 2.918 ( 5.008 0.000 1.746) 5.304 2.972 ( -31.156 0.000 13.429) 33.927 3.051 ( -20.294 0.000 -4.908) 20.879 3.248 ( 0.378 0.000 -7.413) 7.423 3.249 ( -11.711 0.000 8.154) 14.270 3.415 ( 2.778 0.000 -7.902) 8.376 3.446 ( -4.264 0.000 0.213) 4.269 3.602 ( -4.151 0.000 -7.774) 8.813 3.653 ( 5.558 0.000 -1.838) 5.854 3.689 ( -2.069 0.000 1.931) 2.830 3.733 ( -4.921 0.000 3.213) 5.877 3.752 ( 0.301 0.000 6.030) 6.037 3.783 ( 6.881 0.000 -3.110) 7.552 3.968 ( 3.246 0.000 11.043) 11.510 3.975 ( 1.490 0.000 -8.542) 8.671 4.113 ( -3.121 0.000 -0.767) 3.214 4.197 ( 2.616 0.000 3.054) 4.021 4.223 ( -6.278 0.000 4.028) 7.459 4.237 ( 1.647 0.000 -2.916) 3.348 4.373 ( 1.428 0.000 -6.139) 6.303 4.401 ( -4.563 0.000 -1.084) 4.690 4.555 ( 1.680 0.000 0.624) 1.792 4.574 ( -3.908 0.000 9.099) 9.903 4.631 ( 2.009 0.000 2.846) 3.484 4.680 ( -2.664 0.000 -3.841) 4.675 4.751 ( -4.014 0.000 -0.387) 4.032 4.883 ( 16.570 0.000 1.222) 16.615 4.974 ( -17.438 0.000 -2.452) 17.610 5.056 ( -5.950 0.000 7.551) 9.613 5.134 ( -6.083 0.000 -9.305) 11.117 5.296 ( 1.847 0.000 3.906) 4.321 5.328 ( 1.036 0.000 -5.366) 5.465 5.336 ( -9.705 0.000 -2.650) 10.060 5.534 ( -2.367 0.000 -2.689) 3.583 5.549 ( 3.353 0.000 -1.799) 3.805 5.657 ( -9.053 0.000 -3.088) 9.566 5.684 ( -7.986 0.000 -10.163) 12.926 5.849 ( 4.561 0.000 -1.697) 4.866 5.886 ( -2.473 0.000 -3.693) 4.444 5.989 ( -3.381 0.000 -4.075) 5.296 5.999 ( 7.336 0.000 3.230) 8.016 6.204 ( -5.942 0.000 3.097) 6.700 6.283 ( -1.135 0.000 11.005) 11.063 6.509 ( -1.765 0.000 6.334) 6.575 6.635 ( -6.266 0.000 -4.128) 7.504 6.661 ( 20.147 0.000 -7.547) 21.514 6.677 ( 11.206 0.000 -3.662) 11.789 6.761 ( 3.688 0.000 -1.768) 4.090 6.788 ( 5.906 0.000 -0.356) 5.917 6.857 ( 7.879 0.000 -0.734) 7.913 6.985 ( 14.804 0.000 -1.415) 14.871 7.106 ( 8.412 0.000 3.842) 9.247 7.136 ( 4.685 0.000 -2.146) 5.153 7.221 ( 12.245 0.000 -2.089) 12.422 7.333 ( 15.358 0.000 7.438) 17.064 7.356 ( -4.559 0.000 7.171) 8.498 7.580 ( 2.412 0.000 2.055) 3.169 7.784 ( 10.143 0.000 7.704) 12.737 7.831 ( -0.381 0.000 -3.791) 3.810 7.884 ( 11.443 0.000 5.364) 12.638 8.159 ( -13.602 0.000 -2.293) 13.794 8.245 ( -9.010 0.000 -2.261) 9.290 8.257 ( -8.371 0.000 4.085) 9.314 8.404 ( -9.785 0.000 -3.793) 10.495 8.478 ( -3.687 0.000 0.545) 3.727 8.624 ( -8.496 0.000 -0.353) 8.503 8.629 ( -4.555 0.000 -9.372) 10.421 8.843 ( -5.805 0.000 -6.318) 8.580 8.955 ( 0.692 0.000 4.501) 4.554 9.006 ( 1.509 0.000 1.350) 2.025 9.023 ( 0.728 0.000 1.341) 1.526 9.092 ( 1.228 0.000 0.837) 1.487 9.102 ( 3.134 0.000 -3.989) 5.072 9.152 ( 4.711 0.000 5.906) 7.554 9.266 ( 1.405 0.000 2.292) 2.688 9.372 ( 1.952 0.000 -6.998) 7.265 9.403 ( 1.809 0.000 1.650) 2.449 9.504 ( 1.038 0.000 4.902) 5.010 9.649 ( 8.189 0.000 2.272) 8.498 9.682 ( 2.256 0.000 3.295) 3.993 9.892 ( 6.507 0.000 -5.654) 8.620 9.975 ( -0.443 0.000 0.262) 0.514 10.047 ( 1.146 0.000 6.507) 6.607 10.063 ( 6.355 0.000 1.859) 6.621 10.155 ( 3.524 0.000 -7.510) 8.296 10.191 ( -2.009 0.000 3.402) 3.951 10.275 ( -3.630 0.000 -4.976) 6.159 10.332 ( 4.923 0.000 1.671) 5.199 10.411 ( 5.291 0.000 -6.235) 8.178 10.464 ( 1.942 0.000 1.107) 2.235 10.474 ( -4.149 0.000 1.658) 4.468 10.552 ( -4.301 0.000 -1.295) 4.491 10.791 ( -8.055 0.000 11.955) 14.415 10.837 ( 4.791 0.000 -2.577) 5.440 10.952 ( -2.227 0.000 1.696) 2.799 11.074 ( 1.900 0.000 1.317) 2.312 11.145 ( 0.047 0.000 -2.152) 2.153 11.230 ( 5.077 0.000 -2.838) 5.816 11.240 ( 2.247 0.000 -0.309) 2.268 11.267 ( 8.169 0.000 -2.566) 8.562 11.516 ( -1.837 0.000 -7.637) 7.855 11.528 ( -0.159 0.000 5.617) 5.619 11.659 ( 4.969 0.000 1.233) 5.119 11.713 ( 3.761 0.000 -6.226) 7.274 11.824 ( 5.952 0.000 -0.912) 6.022 11.956 ( -5.943 0.000 5.166) 7.874 12.163 ( -5.879 0.000 3.895) 7.052 12.400 ( -12.941 0.000 6.660) 14.555 12.413 ( -7.429 0.000 0.569) 7.451 12.491 ( -4.714 0.000 -7.416) 8.787 12.501 ( -10.321 0.000 -5.316) 11.610 12.567 ( -14.461 0.000 0.594) 14.473 12.625 ( -8.799 0.000 10.592) 13.770 12.818 ( 2.154 0.000 -6.531) 6.877 12.856 ( -1.315 0.000 6.574) 6.704 12.901 ( -10.802 0.000 3.196) 11.265 13.011 ( 3.575 0.000 -0.891) 3.685 13.074 ( -7.509 0.000 -2.284) 7.848 13.113 ( -2.606 0.000 -7.591) 8.026 13.205 ( -4.330 0.000 0.448) 4.354 13.329 ( 2.636 0.000 -6.818) 7.310 13.520 ( -7.028 0.000 -8.556) 11.073 13.728 ( 7.158 0.000 -2.072) 7.452 13.823 ( 6.073 0.000 4.528) 7.575 14.088 ( -4.338 0.000 3.819) 5.780 14.401 ( 1.862 0.000 -4.754) 5.106 14.410 ( 2.806 0.000 5.055) 5.782 14.559 ( 3.972 0.000 -4.798) 6.229 14.695 ( -4.576 0.000 1.357) 4.773 14.721 ( -6.779 0.000 4.749) 8.277 15.001 ( -13.702 0.000 0.453) 13.709 15.009 ( -13.025 0.000 -16.267) 20.839 15.288 ( 0.590 0.000 -2.175) 2.253 15.385 ( 4.152 0.000 -1.327) 4.359 15.563 ( 9.622 0.000 3.799) 10.345 15.587 ( 4.447 0.000 1.020) 4.562 16.251 ( -1.744 0.000 -3.751) 4.137 16.268 ( -2.406 0.000 3.468) 4.221 16.469 ( 4.547 0.000 -7.656) 8.905 16.528 ( 8.677 0.000 13.863) 16.354 17.259 ( 5.100 0.000 4.935) 7.097 17.477 ( 9.027 0.000 -5.340) 10.488 17.485 ( 4.421 0.000 0.635) 4.466 17.564 ( 7.134 0.000 -0.209) 7.138 20.755 ( -2.520 0.000 -1.223) 2.801 20.818 ( -1.617 0.000 0.757) 1.786 21.296 ( -7.541 0.000 0.796) 7.583 21.511 ( -3.262 0.000 -17.326) 17.630 21.826 ( -2.145 0.000 3.684) 4.263 21.887 ( 2.630 0.000 -4.721) 5.404 22.281 ( -7.291 0.000 1.053) 7.366 22.386 ( -3.173 0.000 -5.228) 6.115 22.404 ( -4.772 0.000 2.814) 5.540 22.455 ( -1.935 0.000 -5.361) 5.700 22.715 ( 2.840 0.000 0.049) 2.840 22.755 ( 4.511 0.000 6.034) 7.534 23.211 ( 0.412 0.000 2.796) 2.826 23.309 ( 0.396 0.000 5.646) 5.659 23.520 ( 6.472 0.000 10.753) 12.551 23.686 ( -0.770 0.000 -2.464) 2.582 23.811 ( -7.661 0.000 1.142) 7.746 24.097 ( 3.483 0.000 0.626) 3.538 24.327 ( 4.236 0.000 -2.072) 4.715 24.381 ( 0.624 0.000 13.695) 13.709 24.442 ( -8.522 0.000 -4.039) 9.431 24.843 ( 12.450 0.000 -4.008) 13.079 25.188 ( 14.271 0.000 9.579) 17.188 25.606 ( 17.050 0.000 -2.606) 17.248 26.538 ( -3.682 0.000 0.234) 3.689 26.585 ( -2.818 0.000 -1.256) 3.085 26.664 ( -6.325 0.000 2.653) 6.859 26.835 ( -0.575 0.000 -4.120) 4.160 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -6.244 0.000 20.531) 21.460 1.299 ( -16.967 0.000 23.448) 28.943 1.834 ( 5.713 0.000 -13.210) 14.392 2.025 ( -33.922 0.000 6.176) 34.479 2.282 ( -11.254 0.000 -6.300) 12.897 2.427 ( -10.113 0.000 -13.879) 17.173 2.589 ( -6.369 0.000 15.418) 16.681 2.727 ( -1.570 0.000 -1.294) 2.035 2.803 ( 5.679 0.000 11.468) 12.797 2.889 ( -0.937 0.000 5.037) 5.123 2.968 ( -1.500 0.000 -1.120) 1.872 3.166 ( -3.753 0.000 -2.051) 4.277 3.203 ( 4.503 0.000 3.160) 5.501 3.277 ( -7.026 0.000 -3.340) 7.779 3.277 ( -6.337 0.000 0.742) 6.381 3.530 ( -5.937 0.000 3.262) 6.774 3.608 ( -10.527 0.000 3.688) 11.155 3.690 ( 0.502 0.000 -3.471) 3.507 3.712 ( -1.878 0.000 0.298) 1.901 3.727 ( 2.199 0.000 -0.681) 2.302 3.962 ( -1.848 0.000 4.310) 4.689 3.995 ( 5.584 0.000 -11.498) 12.782 4.039 ( 3.887 0.000 1.238) 4.079 4.073 ( -3.256 0.000 -2.670) 4.210 4.138 ( 5.944 0.000 0.690) 5.984 4.215 ( 0.504 0.000 0.807) 0.952 4.227 ( -2.992 0.000 0.296) 3.007 4.313 ( -1.979 0.000 0.796) 2.133 4.389 ( -3.406 0.000 -16.535) 16.882 4.499 ( 1.637 0.000 -3.412) 3.784 4.539 ( -4.966 0.000 -0.577) 4.999 4.583 ( 0.093 0.000 3.614) 3.615 4.698 ( -1.248 0.000 3.601) 3.811 4.703 ( -6.212 0.000 -2.820) 6.822 4.896 ( -0.935 0.000 -0.844) 1.260 4.937 ( -5.455 0.000 8.927) 10.462 4.978 ( 11.260 0.000 -1.982) 11.433 5.088 ( -12.673 0.000 -4.696) 13.515 5.167 ( 4.189 0.000 0.512) 4.220 5.298 ( -2.273 0.000 -7.562) 7.896 5.308 ( -3.477 0.000 3.419) 4.876 5.399 ( -5.596 0.000 -10.987) 12.330 5.465 ( -0.618 0.000 0.856) 1.056 5.536 ( -6.921 0.000 -1.419) 7.065 5.604 ( 9.384 0.000 -0.627) 9.405 5.789 ( -13.583 0.000 -2.679) 13.845 5.846 ( -1.518 0.000 -6.133) 6.318 5.958 ( 5.432 0.000 2.829) 6.125 6.131 ( -2.693 0.000 10.831) 11.161 6.335 ( 11.895 0.000 -0.278) 11.898 6.360 ( 2.396 0.000 3.272) 4.056 6.473 ( -0.801 0.000 1.361) 1.579 6.523 ( 2.700 0.000 -5.531) 6.155 6.825 ( 3.435 0.000 0.488) 3.469 6.861 ( 2.251 0.000 -1.912) 2.954 6.914 ( 14.322 0.000 -1.226) 14.375 6.941 ( 11.783 0.000 0.473) 11.792 7.114 ( 14.082 0.000 1.522) 14.164 7.180 ( 2.479 0.000 -0.881) 2.630 7.271 ( 6.397 0.000 0.680) 6.433 7.287 ( 4.833 0.000 -3.751) 6.118 7.324 ( 7.939 0.000 4.295) 9.026 7.428 ( 1.233 0.000 3.411) 3.627 7.590 ( 8.190 0.000 7.014) 10.783 7.683 ( -9.385 0.000 -0.804) 9.419 7.701 ( 3.522 0.000 0.602) 3.573 7.865 ( -15.571 0.000 -5.194) 16.415 7.920 ( -9.995 0.000 -1.792) 10.154 8.007 ( 5.830 0.000 2.571) 6.372 8.147 ( -6.227 0.000 6.762) 9.192 8.185 ( 13.912 0.000 -2.569) 14.148 8.306 ( -11.305 0.000 -3.270) 11.768 8.367 ( 2.329 0.000 9.231) 9.520 8.492 ( -5.365 0.000 0.627) 5.402 8.507 ( 0.915 0.000 -13.285) 13.317 8.721 ( -2.241 0.000 0.642) 2.331 8.865 ( -11.215 0.000 4.712) 12.165 9.011 ( -2.201 0.000 -4.812) 5.292 9.082 ( 2.821 0.000 0.987) 2.988 9.099 ( 0.676 0.000 2.030) 2.139 9.183 ( 7.725 0.000 0.265) 7.730 9.271 ( 3.651 0.000 2.851) 4.632 9.332 ( 2.013 0.000 2.821) 3.466 9.390 ( 2.218 0.000 -1.692) 2.790 9.508 ( 6.291 0.000 3.749) 7.324 9.552 ( 2.569 0.000 -0.796) 2.689 9.730 ( 0.109 0.000 1.271) 1.276 9.825 ( 7.555 0.000 -0.639) 7.581 9.911 ( -0.192 0.000 -0.783) 0.806 9.987 ( -2.562 0.000 -3.198) 4.098 10.062 ( 2.867 0.000 2.166) 3.593 10.106 ( -0.050 0.000 -0.618) 0.620 10.160 ( 0.648 0.000 -3.458) 3.518 10.196 ( -7.613 0.000 0.622) 7.638 10.216 ( -1.270 0.000 -4.196) 4.384 10.273 ( -2.094 0.000 -1.422) 2.531 10.450 ( -0.590 0.000 6.121) 6.149 10.490 ( 6.376 0.000 -3.689) 7.367 10.572 ( 3.642 0.000 -2.042) 4.176 10.580 ( 10.204 0.000 0.221) 10.207 10.838 ( 3.217 0.000 10.482) 10.964 10.866 ( 1.782 0.000 3.468) 3.899 11.011 ( 0.762 0.000 4.722) 4.783 11.063 ( 0.106 0.000 -3.275) 3.277 11.111 ( 5.652 0.000 -8.762) 10.427 11.235 ( -2.369 0.000 -5.107) 5.629 11.361 ( 2.279 0.000 -4.093) 4.685 11.412 ( 5.161 0.000 -0.214) 5.165 11.414 ( 0.253 0.000 2.133) 2.148 11.548 ( -7.101 0.000 4.971) 8.668 11.728 ( 2.784 0.000 -0.848) 2.911 11.730 ( 1.413 0.000 -5.065) 5.258 11.802 ( -4.248 0.000 5.580) 7.013 11.956 ( 6.296 0.000 -1.953) 6.592 12.097 ( -9.345 0.000 4.807) 10.509 12.192 ( -9.090 0.000 -4.101) 9.972 12.211 ( -8.422 0.000 6.483) 10.629 12.313 ( -6.183 0.000 -3.853) 7.286 12.329 ( -5.925 0.000 2.220) 6.327 12.429 ( 0.130 0.000 -4.113) 4.115 12.527 ( -8.558 0.000 8.804) 12.278 12.682 ( -11.937 0.000 -12.646) 17.390 12.687 ( -11.355 0.000 7.606) 13.668 12.868 ( -7.951 0.000 13.904) 16.017 12.946 ( -1.541 0.000 -1.183) 1.943 12.966 ( -3.570 0.000 -7.973) 8.735 13.058 ( -1.805 0.000 -1.736) 2.504 13.140 ( -0.412 0.000 -3.914) 3.936 13.196 ( -9.269 0.000 -9.257) 13.100 13.372 ( -1.628 0.000 -4.784) 5.053 13.858 ( 2.297 0.000 3.615) 4.283 13.966 ( 5.823 0.000 -1.258) 5.957 14.133 ( 8.215 0.000 1.067) 8.284 14.356 ( -8.892 0.000 -8.065) 12.005 14.428 ( -3.330 0.000 -8.188) 8.840 14.506 ( 2.704 0.000 7.491) 7.964 14.580 ( -2.543 0.000 2.743) 3.741 14.619 ( -5.537 0.000 2.097) 5.921 14.725 ( -12.690 0.000 -2.094) 12.862 14.832 ( -2.898 0.000 1.368) 3.205 15.264 ( -1.248 0.000 0.750) 1.456 15.424 ( 1.495 0.000 -4.078) 4.343 15.686 ( 4.067 0.000 1.876) 4.479 15.731 ( 4.969 0.000 1.175) 5.106 16.201 ( -0.407 0.000 -3.494) 3.518 16.225 ( -3.777 0.000 2.309) 4.427 16.561 ( 7.024 0.000 -0.912) 7.083 16.752 ( 6.768 0.000 1.698) 6.977 17.395 ( 4.462 0.000 5.094) 6.772 17.577 ( 4.731 0.000 -5.440) 7.209 17.601 ( 5.321 0.000 3.309) 6.267 17.704 ( 6.556 0.000 -1.911) 6.829 20.719 ( -0.504 0.000 -0.129) 0.520 20.781 ( -2.230 0.000 0.196) 2.239 21.147 ( -6.310 0.000 -2.708) 6.866 21.211 ( -13.150 0.000 -13.835) 19.087 21.817 ( -1.744 0.000 5.980) 6.229 21.914 ( 2.906 0.000 -4.647) 5.481 22.173 ( -5.383 0.000 4.863) 7.254 22.288 ( -2.918 0.000 -5.050) 5.832 22.322 ( -5.223 0.000 3.512) 6.294 22.386 ( -0.735 0.000 -5.999) 6.044 22.791 ( 3.180 0.000 2.934) 4.327 22.864 ( 3.003 0.000 3.025) 4.262 23.245 ( -0.245 0.000 5.087) 5.093 23.281 ( -1.824 0.000 0.988) 2.074 23.695 ( 0.890 0.000 1.441) 1.694 23.704 ( -2.439 0.000 3.931) 4.626 23.775 ( 8.774 0.000 -2.407) 9.098 24.132 ( -2.776 0.000 -0.835) 2.898 24.279 ( -3.186 0.000 -1.979) 3.751 24.390 ( 3.314 0.000 -4.534) 5.616 24.673 ( 18.113 0.000 16.978) 24.826 25.041 ( 9.191 0.000 -3.909) 9.988 25.573 ( 18.262 0.000 10.828) 21.231 25.888 ( 11.361 0.000 -0.205) 11.363 26.473 ( -2.712 0.000 0.266) 2.725 26.512 ( -3.109 0.000 -1.153) 3.315 26.551 ( -5.785 0.000 0.941) 5.861 26.740 ( -6.894 0.000 -5.748) 8.976 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 2.556 1.821 22.796) 23.011 1.491 ( -2.678 13.669 25.148) 28.748 1.623 ( -2.409 -0.402 -15.364) 15.556 1.950 ( 3.591 5.055 -21.697) 22.566 2.289 ( 2.073 21.667 4.038) 22.137 2.327 ( -2.395 -1.262 -1.284) 2.997 2.656 ( -0.887 6.024 3.285) 6.918 2.721 ( 0.640 6.921 2.835) 7.506 2.807 ( -1.679 -4.505 3.292) 5.827 2.896 ( -0.893 -8.393 0.060) 8.441 2.977 ( 6.153 1.540 6.123) 8.817 3.046 ( -1.909 0.721 -1.938) 2.814 3.107 ( 3.246 -7.186 0.997) 7.948 3.178 ( -2.381 -11.131 -5.155) 12.495 3.357 ( 0.881 7.570 18.688) 20.182 3.446 ( -0.056 0.484 3.689) 3.721 3.459 ( 2.473 -0.459 2.165) 3.318 3.690 ( -7.147 6.416 -7.830) 12.392 3.776 ( 2.640 4.394 -0.060) 5.126 3.815 ( 0.646 4.443 -1.642) 4.781 3.903 ( -6.024 0.813 -0.520) 6.101 3.988 ( 4.229 -3.583 -5.536) 7.834 4.088 ( -2.294 -0.995 7.111) 7.538 4.118 ( -4.168 -0.451 -1.228) 4.369 4.174 ( 6.091 -1.300 -5.724) 8.459 4.194 ( 2.404 0.485 -2.086) 3.219 4.278 ( 1.229 11.730 -1.966) 11.957 4.363 ( 0.144 2.302 1.352) 2.674 4.394 ( -3.634 6.272 -4.414) 8.487 4.448 ( 3.063 2.493 -10.287) 11.019 4.480 ( 5.736 -0.859 0.254) 5.805 4.564 ( -4.223 5.255 -1.716) 6.956 4.654 ( 2.229 -3.536 1.279) 4.371 4.684 ( -2.863 -2.897 -1.051) 4.207 4.787 ( -2.559 0.389 5.303) 5.901 4.894 ( -4.622 -1.904 -4.395) 6.656 4.992 ( 1.354 0.843 5.575) 5.798 5.099 ( -0.720 -4.521 -2.546) 5.239 5.176 ( 3.069 -0.393 -2.004) 3.687 5.199 ( -0.309 -1.583 -5.778) 5.999 5.252 ( 0.648 0.062 4.326) 4.375 5.354 ( 3.215 0.225 -5.923) 6.743 5.507 ( 4.342 -0.063 4.581) 6.312 5.544 ( -6.839 3.940 4.360) 9.017 5.657 ( -2.148 5.435 1.602) 6.060 5.738 ( 1.026 -3.124 1.424) 3.583 5.868 ( -0.510 1.384 -1.560) 2.147 5.940 ( 1.497 5.415 -1.233) 5.752 6.074 ( -3.230 -11.217 8.622) 14.512 6.250 ( 1.509 -9.529 -5.483) 11.097 6.363 ( 4.322 -2.350 -2.893) 5.707 6.406 ( -1.315 -5.850 -4.627) 7.573 6.657 ( 4.982 -3.422 3.179) 6.829 6.687 ( -3.599 -8.209 4.001) 9.815 6.800 ( 7.221 -11.828 1.789) 13.973 6.925 ( -9.212 -6.471 -8.399) 14.045 6.984 ( -5.064 -9.279 3.475) 11.128 7.100 ( 0.628 -6.141 -8.386) 10.413 7.213 ( 0.917 -0.797 3.300) 3.516 7.257 ( 3.123 -0.670 0.970) 3.338 7.369 ( 3.637 0.341 0.592) 3.700 7.446 ( -8.151 -2.744 -6.118) 10.554 7.571 ( 0.320 2.110 1.875) 2.841 7.593 ( -4.952 3.126 1.856) 6.143 7.644 ( 3.152 7.743 -1.044) 8.425 7.702 ( 0.866 7.574 -3.703) 8.475 7.951 ( 1.624 0.142 6.054) 6.269 7.967 ( 4.553 5.910 5.372) 9.194 8.066 ( 4.680 3.010 0.788) 5.620 8.117 ( -8.443 4.473 6.112) 11.343 8.230 ( -3.736 13.124 -5.102) 14.567 8.324 ( -2.985 1.526 -3.736) 5.020 8.447 ( 4.175 1.401 1.707) 4.723 8.482 ( 1.141 2.107 -1.825) 3.012 8.558 ( -2.977 -3.265 3.835) 5.851 8.604 ( 1.296 -1.327 -0.455) 1.910 8.782 ( 2.341 -1.853 3.716) 4.767 8.888 ( 0.246 -1.858 -4.535) 4.907 9.068 ( -2.248 -10.072 3.639) 10.943 9.092 ( 2.812 -5.849 1.177) 6.595 9.251 ( -1.517 -0.353 -0.396) 1.607 9.266 ( 0.006 -0.190 -2.010) 2.019 9.374 ( -1.829 -1.198 1.207) 2.497 9.421 ( 0.626 -1.692 -2.104) 2.772 9.633 ( -0.686 4.050 1.144) 4.264 9.652 ( 3.451 4.826 -1.241) 6.062 9.774 ( -1.283 6.807 2.001) 7.210 9.838 ( 1.022 4.148 -4.302) 6.063 9.918 ( 2.662 0.615 0.773) 2.839 9.970 ( -5.513 1.252 -2.351) 6.122 10.055 ( 0.872 2.328 3.659) 4.424 10.095 ( 1.483 0.214 0.442) 1.562 10.161 ( -4.794 3.032 1.225) 5.804 10.241 ( -1.302 4.896 2.654) 5.720 10.245 ( 5.577 6.798 -5.563) 10.405 10.300 ( 0.871 -0.323 -2.520) 2.686 10.554 ( -3.247 3.320 1.939) 5.032 10.575 ( 5.805 -1.269 3.142) 6.722 10.627 ( -2.637 0.541 -0.487) 2.736 10.677 ( 1.153 5.731 -3.616) 6.874 10.851 ( -7.831 -5.988 9.032) 13.370 10.971 ( 6.727 1.839 -0.229) 6.977 10.999 ( -4.396 3.794 -0.535) 5.831 11.058 ( 0.825 -2.294 -5.201) 5.744 11.156 ( -2.585 -0.668 0.966) 2.840 11.214 ( -1.378 -3.037 -0.926) 3.461 11.285 ( -12.483 0.877 3.134) 12.900 11.363 ( 10.633 1.655 -2.622) 11.076 11.515 ( -1.365 -2.125 3.560) 4.365 11.568 ( 5.221 -2.136 -0.330) 5.650 11.680 ( 0.045 -1.136 1.701) 2.047 11.747 ( -0.885 0.646 -4.181) 4.322 11.811 ( 5.071 -10.445 3.695) 12.185 11.850 ( 0.251 -7.689 0.890) 7.745 11.951 ( 5.819 -6.502 -0.418) 8.736 11.968 ( -4.523 -1.793 -0.867) 4.943 12.135 ( 0.615 -0.203 2.195) 2.288 12.197 ( -3.931 2.460 -0.969) 4.737 12.251 ( -0.751 -2.027 -2.940) 3.649 12.286 ( 5.623 -2.424 -4.476) 7.584 12.468 ( -6.073 0.674 5.426) 8.172 12.568 ( 5.159 3.464 -5.409) 8.239 12.658 ( 1.532 -4.141 9.216) 10.219 12.816 ( 1.240 -9.055 -5.368) 10.599 12.877 ( -3.503 -1.653 4.252) 5.752 12.942 ( -0.105 -0.925 -2.424) 2.596 13.025 ( 0.716 -3.314 1.728) 3.806 13.123 ( -3.538 0.573 -1.233) 3.791 13.200 ( 2.885 10.335 -3.770) 11.373 13.226 ( -0.025 9.364 -8.189) 12.439 13.959 ( 0.986 5.834 2.431) 6.397 14.026 ( 1.707 1.524 -2.804) 3.619 14.171 ( 0.662 -6.672 3.812) 7.713 14.248 ( -0.321 -5.496 -2.199) 5.929 14.404 ( 2.518 -2.123 4.860) 5.871 14.502 ( -2.105 -2.950 -2.900) 4.642 14.561 ( -2.112 2.873 -2.524) 4.369 14.565 ( 3.896 0.649 -2.794) 4.838 14.680 ( 3.690 1.494 3.367) 5.213 14.743 ( -5.266 -0.626 -3.357) 6.276 15.370 ( 1.149 8.781 7.125) 11.366 15.505 ( -1.596 9.693 -6.344) 11.694 15.751 ( 1.046 2.059 5.766) 6.212 15.831 ( -2.081 3.567 -2.587) 4.873 16.138 ( -2.855 -1.312 4.395) 5.402 16.230 ( 1.937 2.128 -4.822) 5.615 16.608 ( -1.555 -10.087 4.301) 11.075 16.650 ( 0.917 -6.996 -0.286) 7.062 17.484 ( -0.001 0.759 5.854) 5.903 17.589 ( 0.059 -1.218 -3.524) 3.729 17.686 ( -0.075 0.968 1.280) 1.606 17.750 ( 0.293 -0.697 -3.727) 3.803 20.746 ( 1.501 1.287 0.524) 2.045 20.766 ( -0.540 1.846 -1.705) 2.570 20.980 ( -1.116 -2.050 1.309) 2.676 21.018 ( -1.902 -2.471 -2.677) 4.110 21.862 ( -2.185 3.721 5.992) 7.385 21.964 ( 2.093 3.248 -4.388) 5.847 22.147 ( -2.059 -0.525 6.576) 6.911 22.247 ( -0.271 -0.486 -2.516) 2.577 22.376 ( 0.675 9.420 -0.099) 9.444 22.447 ( -0.171 10.299 -6.045) 11.943 22.867 ( 1.671 1.193 4.458) 4.908 22.934 ( -1.221 3.228 -1.952) 3.965 23.258 ( 1.652 -0.422 2.377) 2.925 23.272 ( -0.858 -0.542 0.673) 1.218 23.677 ( -0.583 -1.312 4.523) 4.745 23.747 ( 4.374 -5.414 1.704) 7.166 23.862 ( 3.805 1.337 -2.877) 4.955 23.957 ( -6.509 -2.018 -7.965) 10.483 24.236 ( 1.066 -4.596 3.142) 5.668 24.306 ( -1.602 -6.569 -3.864) 7.788 24.915 ( 3.516 -6.602 4.571) 8.766 24.989 ( -1.661 -7.933 -3.543) 8.845 25.966 ( 0.309 5.079 7.997) 9.479 26.101 ( 3.398 5.415 -6.714) 9.271 26.458 ( 0.630 0.331 0.636) 0.955 26.471 ( -0.942 0.204 -0.705) 1.194 26.511 ( -2.277 -0.391 0.752) 2.429 26.529 ( -0.259 0.090 -1.354) 1.381 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.018 7.138 10.129) 13.027 1.422 ( 1.192 7.256 -6.880) 10.070 1.915 ( 18.683 5.179 17.538) 26.143 2.071 ( 17.002 7.548 -20.197) 27.458 2.282 ( 0.807 4.576 0.386) 4.662 2.402 ( 5.690 5.621 0.661) 8.025 2.701 ( 2.345 3.731 3.108) 5.392 2.781 ( 3.963 5.932 -3.346) 7.879 2.835 ( -0.590 -8.115 6.527) 10.431 2.899 ( 1.278 -3.407 -1.917) 4.113 2.976 ( 0.546 -5.160 -1.031) 5.290 3.020 ( 0.061 -8.410 -7.173) 11.053 3.163 ( 5.730 4.111 2.692) 7.549 3.233 ( 4.983 -7.602 -1.106) 9.156 3.504 ( 4.576 3.598 -2.739) 6.433 3.547 ( 6.242 0.725 -2.259) 6.677 3.604 ( 2.442 2.622 15.229) 15.645 3.633 ( 1.203 2.509 -0.719) 2.874 3.728 ( -1.968 3.325 2.353) 4.524 3.805 ( -1.881 3.878 -2.113) 4.800 3.889 ( 1.237 1.993 2.715) 3.588 3.931 ( -4.751 -3.493 4.015) 7.134 4.052 ( -5.377 -0.941 -3.180) 6.317 4.102 ( -1.859 -1.227 -0.390) 2.261 4.120 ( -1.465 0.658 0.965) 1.873 4.186 ( 7.759 2.844 -1.480) 8.395 4.297 ( 5.938 4.117 -4.502) 8.514 4.353 ( 4.301 8.272 -5.979) 11.075 4.418 ( -0.716 7.658 -0.808) 7.734 4.494 ( 0.504 0.234 -1.110) 1.241 4.546 ( -4.112 -2.808 -1.000) 5.079 4.599 ( 11.826 1.153 -1.395) 11.964 4.705 ( 6.447 4.389 -0.032) 7.799 4.761 ( 4.495 2.925 0.874) 5.434 4.797 ( 1.452 2.056 3.248) 4.109 4.906 ( 4.985 -7.483 5.955) 10.784 4.984 ( -4.043 -1.547 -1.739) 4.665 5.052 ( -1.115 0.181 -0.640) 1.298 5.137 ( 1.250 1.966 -4.204) 4.806 5.219 ( 0.317 0.576 4.894) 4.938 5.275 ( 2.430 -0.330 0.721) 2.557 5.459 ( 8.208 -2.806 -8.300) 12.005 5.542 ( -3.937 5.392 2.458) 7.114 5.581 ( 5.907 2.995 -4.489) 8.001 5.676 ( 0.909 2.263 3.731) 4.457 5.773 ( 0.970 4.065 -0.634) 4.227 5.808 ( 6.095 3.951 1.929) 7.516 6.037 ( 1.589 -4.874 7.493) 9.079 6.073 ( -1.925 -9.055 -1.289) 9.347 6.205 ( -6.087 -10.429 2.705) 12.375 6.305 ( -0.094 -9.445 -12.236) 15.458 6.385 ( 1.397 -0.161 -0.335) 1.446 6.527 ( -5.865 -2.431 -1.973) 6.648 6.641 ( -10.782 -15.470 -3.548) 19.187 6.797 ( -6.669 2.487 2.636) 7.590 6.814 ( -0.319 -6.661 3.934) 7.743 6.902 ( -7.291 -7.792 3.800) 11.327 7.021 ( -9.071 -1.190 -0.146) 9.150 7.175 ( -5.207 2.828 1.331) 6.073 7.269 ( -2.844 -4.644 -6.752) 8.674 7.288 ( -1.017 0.749 -0.247) 1.287 7.473 ( -9.533 7.303 -0.105) 12.010 7.547 ( 8.373 2.925 11.911) 14.850 7.624 ( -4.239 3.900 1.540) 5.963 7.666 ( 2.691 -1.162 -0.793) 3.036 7.795 ( 4.728 -1.227 -4.468) 6.620 7.880 ( -0.385 3.947 0.918) 4.070 7.930 ( -4.596 5.457 -5.349) 8.917 8.031 ( -2.196 1.606 -1.973) 3.360 8.072 ( -8.258 -0.541 5.563) 9.971 8.231 ( -3.985 -1.821 3.059) 5.343 8.281 ( 7.316 8.293 6.324) 12.739 8.385 ( -1.445 3.556 -1.030) 3.974 8.513 ( 0.469 4.137 0.538) 4.198 8.536 ( 1.918 2.895 -2.083) 4.049 8.738 ( -0.054 -6.357 -3.864) 7.439 8.855 ( 6.516 -2.399 2.426) 7.355 8.892 ( 2.078 -3.070 1.638) 4.053 9.023 ( -2.933 -8.557 -1.966) 9.256 9.134 ( -0.663 -6.419 -0.473) 6.470 9.192 ( -3.739 1.823 3.645) 5.531 9.203 ( -2.433 -4.305 0.388) 4.960 9.342 ( -3.606 0.276 0.015) 3.616 9.388 ( -3.189 0.862 4.034) 5.215 9.527 ( -3.934 5.579 -3.181) 7.531 9.648 ( -2.104 6.758 -4.019) 8.139 9.809 ( -0.898 4.876 -3.589) 6.121 9.825 ( 2.854 2.012 2.134) 4.093 9.910 ( -0.546 2.159 3.500) 4.149 10.015 ( -5.043 3.011 1.966) 6.194 10.087 ( -2.751 -0.705 -2.958) 4.101 10.112 ( 4.398 1.264 -1.205) 4.732 10.140 ( 2.304 3.461 -0.128) 4.159 10.181 ( -1.933 2.899 4.454) 5.655 10.243 ( -1.294 -0.511 -1.315) 1.914 10.339 ( 6.158 4.329 -4.569) 8.805 10.473 ( -6.781 -1.829 0.816) 7.071 10.511 ( -6.864 2.675 2.113) 7.663 10.581 ( -5.817 7.328 -1.109) 9.422 10.675 ( 2.700 1.885 -0.963) 3.431 10.748 ( -6.519 -5.799 2.582) 9.099 10.935 ( -7.859 -0.928 5.353) 9.554 10.969 ( -0.915 1.158 2.601) 2.991 11.075 ( 1.308 -1.115 -4.970) 5.259 11.122 ( -2.403 4.908 -0.846) 5.530 11.140 ( 1.396 -2.842 4.527) 5.525 11.229 ( -0.225 1.022 5.221) 5.324 11.422 ( -5.000 -3.399 -0.778) 6.095 11.502 ( -0.425 6.182 -0.452) 6.213 11.627 ( 1.448 -2.863 -4.652) 5.651 11.695 ( 1.709 -0.693 -0.671) 1.962 11.757 ( 1.004 3.461 0.365) 3.622 11.842 ( 2.749 -1.534 1.769) 3.611 11.935 ( -2.130 -4.707 -4.348) 6.752 11.998 ( 8.498 -9.086 -5.236) 13.497 12.043 ( 7.804 -11.917 2.348) 14.437 12.225 ( 5.886 0.856 -0.605) 5.978 12.265 ( 7.861 -2.749 0.219) 8.331 12.355 ( 4.969 -0.175 -4.419) 6.652 12.419 ( 15.801 -3.452 1.341) 16.229 12.491 ( 5.669 2.960 2.864) 7.007 12.685 ( 8.902 -2.039 -2.952) 9.598 12.750 ( 1.519 -6.657 6.425) 9.376 12.810 ( 3.349 -1.294 -6.709) 7.609 12.880 ( 2.635 -7.507 -2.131) 8.237 12.983 ( 3.151 -2.649 4.154) 5.848 13.041 ( -1.179 -5.604 1.661) 5.962 13.162 ( 5.073 -2.985 1.488) 6.071 13.226 ( 6.223 12.277 -5.832) 14.949 13.286 ( 6.941 12.261 -2.258) 14.269 13.969 ( -0.392 0.983 -5.731) 5.827 14.005 ( -4.851 1.014 2.548) 5.573 14.159 ( 3.692 -1.149 -2.359) 4.529 14.234 ( -0.108 -2.585 -0.747) 2.693 14.368 ( -3.523 -2.824 -3.123) 5.490 14.484 ( -1.964 -3.523 -0.694) 4.093 14.554 ( 2.302 -1.885 -2.087) 3.634 14.708 ( 4.903 0.697 2.513) 5.554 14.719 ( 12.167 3.087 -0.580) 12.565 14.867 ( 9.089 -0.798 2.193) 9.384 15.366 ( -6.336 7.857 -2.329) 10.359 15.449 ( -0.044 9.215 3.313) 9.793 15.720 ( -6.848 2.633 -2.091) 7.628 15.770 ( -3.259 4.260 5.041) 7.361 16.130 ( -0.791 -1.051 4.832) 5.008 16.259 ( 3.333 0.577 -3.202) 4.658 16.493 ( -9.857 -6.412 3.107) 12.163 16.666 ( -0.698 -6.864 -0.798) 6.946 17.469 ( -5.320 0.428 5.968) 8.007 17.509 ( -4.520 0.303 -5.598) 7.201 17.637 ( -6.047 -1.086 3.126) 6.893 17.665 ( -5.855 -0.781 -3.990) 7.129 20.744 ( 0.322 1.468 -1.352) 2.021 20.796 ( 2.722 0.970 -0.554) 2.942 21.025 ( 3.201 -3.373 2.153) 5.125 21.066 ( 6.817 -2.583 2.299) 7.644 21.854 ( -2.295 3.890 5.639) 7.224 21.965 ( 1.073 3.878 -4.728) 6.209 22.177 ( 0.660 -1.492 6.702) 6.898 22.271 ( 3.844 2.659 -0.960) 4.772 22.406 ( 1.724 9.192 -0.211) 9.354 22.441 ( 2.306 6.572 -2.714) 7.475 22.866 ( -3.395 2.402 -2.037) 4.631 22.918 ( 0.660 3.096 1.958) 3.722 23.255 ( -0.006 -2.191 -1.476) 2.642 23.320 ( 3.097 -0.429 0.662) 3.196 23.669 ( -2.652 -3.162 0.737) 4.192 23.775 ( -0.352 -1.891 -6.173) 6.466 23.825 ( -0.108 0.500 -5.819) 5.841 24.008 ( 8.157 -4.389 7.074) 11.655 24.221 ( -4.312 -5.039 -3.349) 7.429 24.259 ( -1.203 -4.118 4.108) 5.940 24.820 ( -10.240 -4.957 -4.383) 12.192 24.883 ( -8.098 -5.726 2.848) 10.319 25.815 ( -14.714 7.130 -0.774) 16.369 25.935 ( -15.947 5.950 -0.481) 17.028 26.488 ( 2.873 0.702 -0.565) 3.011 26.495 ( 2.988 0.360 0.849) 3.127 26.564 ( 7.840 -1.625 -1.417) 8.131 26.634 ( 5.322 -2.116 1.732) 5.983 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 16.061 11.002 -1.297) 19.512 1.712 ( 16.470 9.344 9.284) 21.090 2.176 ( 10.475 5.632 -10.550) 15.898 2.280 ( 6.106 0.817 -0.551) 6.185 2.411 ( 5.649 2.363 1.445) 6.292 2.563 ( 10.688 1.276 5.466) 12.072 2.696 ( -2.845 0.976 1.153) 3.221 2.759 ( 1.360 0.158 -2.067) 2.480 2.870 ( 1.133 -1.513 0.477) 1.950 2.902 ( 0.921 -4.211 0.038) 4.311 3.088 ( 7.414 -4.102 -0.434) 8.484 3.156 ( 11.759 -4.494 -0.291) 12.592 3.260 ( -1.316 -4.602 -3.624) 6.003 3.326 ( 5.335 -0.574 8.429) 9.992 3.406 ( -10.129 0.038 5.103) 11.341 3.563 ( -2.470 -1.314 -0.586) 2.859 3.592 ( -3.252 -2.401 -0.381) 4.060 3.623 ( -3.086 -2.155 -2.411) 4.470 3.680 ( -7.988 -6.239 1.315) 10.220 3.844 ( 3.260 -0.438 0.345) 3.308 3.866 ( -1.617 -1.641 8.388) 8.699 3.940 ( 6.383 2.939 -5.099) 8.682 4.040 ( 0.816 7.485 -1.848) 7.753 4.093 ( 9.154 -3.086 -1.702) 9.809 4.260 ( -2.476 3.242 -0.692) 4.138 4.293 ( 6.095 7.487 -5.307) 11.017 4.344 ( -5.222 -1.895 -2.884) 6.259 4.409 ( 3.366 5.610 -2.224) 6.910 4.449 ( 9.372 4.952 -0.999) 10.647 4.535 ( 11.110 3.608 6.283) 13.264 4.603 ( 3.966 -2.262 1.211) 4.723 4.719 ( -0.097 4.553 -9.174) 10.242 4.773 ( 3.917 6.406 1.857) 7.735 4.835 ( -1.097 9.556 -0.831) 9.654 4.858 ( -0.011 -1.215 -0.358) 1.267 4.920 ( 1.283 -1.293 0.656) 1.936 5.017 ( 13.821 6.756 7.290) 17.024 5.120 ( -0.984 -3.927 -0.361) 4.065 5.190 ( 8.811 -4.430 1.046) 9.918 5.266 ( 0.352 -1.067 4.961) 5.087 5.408 ( 7.912 7.545 0.072) 10.933 5.485 ( 5.027 -0.860 2.998) 5.916 5.579 ( 0.227 4.951 -6.103) 7.862 5.661 ( 3.479 -0.749 -5.551) 6.594 5.693 ( 7.896 3.136 -0.296) 8.501 5.813 ( -2.400 -1.180 1.320) 2.983 5.927 ( -4.715 2.743 -0.509) 5.479 5.951 ( -0.926 0.837 0.853) 1.512 6.019 ( -2.246 -0.694 -1.999) 3.086 6.169 ( 1.523 -13.904 0.193) 13.988 6.295 ( 3.257 -4.997 -0.431) 5.981 6.444 ( 2.584 -6.951 0.318) 7.422 6.474 ( -1.123 -12.927 2.278) 13.174 6.566 ( -0.189 1.381 -2.545) 2.901 6.620 ( -7.977 -2.722 -1.772) 8.613 6.676 ( -5.272 7.902 4.748) 10.620 6.832 ( -4.364 -1.412 3.609) 5.836 6.863 ( -5.955 1.713 3.041) 6.902 7.045 ( -11.316 5.349 -0.902) 12.549 7.132 ( -7.507 -2.137 -4.134) 8.833 7.179 ( -6.706 2.029 1.123) 7.095 7.236 ( -15.524 4.944 -0.279) 16.294 7.498 ( -13.383 4.770 -2.511) 14.428 7.547 ( -6.229 0.873 -7.271) 9.615 7.589 ( -5.231 1.123 0.960) 5.435 7.717 ( -2.663 -3.633 3.011) 5.418 7.852 ( -5.558 -4.860 -2.713) 7.866 7.892 ( -8.277 -3.215 2.205) 9.149 8.153 ( 11.320 0.802 3.555) 11.892 8.174 ( 14.880 0.243 -0.771) 14.902 8.258 ( 6.398 -1.598 4.022) 7.725 8.379 ( 5.225 2.229 1.935) 6.001 8.432 ( -0.577 -0.640 0.208) 0.886 8.516 ( 2.144 -2.889 4.714) 5.930 8.537 ( 0.003 5.128 2.066) 5.528 8.785 ( 5.136 -4.701 -0.050) 6.962 8.888 ( -0.166 -2.939 2.520) 3.876 8.948 ( -0.760 -1.253 -2.353) 2.772 9.006 ( 1.304 -3.312 2.567) 4.388 9.069 ( -3.822 -4.434 -2.403) 6.328 9.161 ( -1.828 -0.462 4.634) 5.003 9.207 ( 1.261 -1.040 -1.547) 2.250 9.255 ( -4.355 1.495 1.972) 5.009 9.356 ( -4.760 0.599 3.089) 5.705 9.446 ( -1.880 6.082 -1.293) 6.496 9.594 ( -0.026 4.520 -4.338) 6.265 9.748 ( -4.292 3.598 -5.947) 8.169 9.806 ( -5.656 2.289 -2.938) 6.772 9.873 ( -3.640 2.793 0.622) 4.630 9.918 ( -3.636 0.488 4.156) 5.544 10.041 ( -1.771 -0.045 1.237) 2.161 10.058 ( -4.776 -1.997 4.375) 6.778 10.135 ( -3.671 -1.466 -2.244) 4.546 10.243 ( 4.670 3.190 -3.510) 6.656 10.280 ( 3.394 -1.917 1.460) 4.163 10.339 ( -3.188 5.622 -1.566) 6.650 10.389 ( -5.276 5.855 2.600) 8.299 10.478 ( 5.844 -1.367 -3.941) 7.180 10.542 ( 2.355 4.407 4.049) 6.432 10.625 ( -2.545 3.805 -4.999) 6.778 10.759 ( 3.547 -1.965 3.651) 5.456 10.806 ( -7.990 -1.449 3.436) 8.817 11.031 ( 1.598 -0.882 3.207) 3.690 11.051 ( 0.627 -4.778 -0.779) 4.882 11.107 ( 1.331 7.495 1.245) 7.714 11.155 ( -2.516 -1.733 0.913) 3.188 11.236 ( -4.334 2.263 1.358) 5.075 11.343 ( -3.241 -0.870 1.028) 3.509 11.453 ( 1.024 1.964 -3.426) 4.079 11.552 ( -3.676 -2.163 -2.530) 4.959 11.700 ( -2.007 1.773 -4.021) 4.831 11.725 ( -3.516 4.364 0.741) 5.653 11.813 ( -4.470 -0.330 0.390) 4.499 11.950 ( 4.388 -10.060 -4.328) 11.798 12.189 ( 6.299 -10.561 3.390) 12.756 12.242 ( 8.014 -2.134 -0.479) 8.307 12.316 ( 6.861 1.567 2.398) 7.435 12.412 ( 9.688 -4.143 2.305) 10.786 12.532 ( 12.295 0.489 -2.920) 12.647 12.599 ( 7.546 0.625 -1.436) 7.707 12.709 ( 6.275 -5.939 0.172) 8.641 12.803 ( 3.663 -3.650 2.113) 5.586 12.825 ( 5.052 0.537 -2.175) 5.526 12.885 ( 2.651 -5.622 5.173) 8.087 12.933 ( 8.115 -5.353 -8.697) 13.044 13.018 ( -0.062 1.081 -0.735) 1.309 13.084 ( 2.043 -2.479 5.028) 5.967 13.204 ( -1.788 -0.283 -0.223) 1.824 13.370 ( 9.863 5.694 -0.340) 11.394 13.423 ( 7.677 7.414 -0.519) 10.686 13.833 ( -4.272 1.688 -6.734) 8.152 13.968 ( -0.714 4.127 -6.561) 7.784 14.198 ( 0.133 -3.563 -4.432) 5.688 14.270 ( -0.056 -7.875 -3.712) 8.706 14.336 ( 3.596 -8.071 2.959) 9.319 14.459 ( -0.539 -0.919 2.823) 3.017 14.623 ( 8.595 1.875 -1.785) 8.976 14.869 ( 5.172 6.290 5.734) 9.959 14.962 ( 6.750 -0.986 -1.689) 7.027 15.032 ( 12.413 2.657 0.890) 12.726 15.178 ( -9.389 1.756 -2.279) 9.820 15.466 ( -2.412 1.449 1.669) 3.272 15.542 ( -7.753 6.284 -1.406) 10.079 15.721 ( -4.885 6.196 4.692) 9.179 16.165 ( 0.253 -0.955 6.028) 6.108 16.291 ( -1.901 -2.562 1.469) 3.513 16.333 ( -4.888 -0.127 1.769) 5.200 16.612 ( -2.476 -6.309 -4.841) 8.329 17.365 ( -6.544 -0.191 -0.227) 6.551 17.377 ( -6.329 0.668 -0.343) 6.373 17.503 ( -6.706 -1.592 -2.316) 7.271 17.524 ( -6.856 -1.559 1.597) 7.210 20.763 ( 2.177 1.303 -0.550) 2.596 20.842 ( 2.307 0.545 -0.962) 2.558 21.141 ( 4.339 -5.727 7.775) 10.586 21.231 ( 7.947 -5.059 1.486) 9.537 21.853 ( -1.419 5.404 5.582) 7.898 21.959 ( 1.657 3.824 -4.142) 5.876 22.250 ( 1.754 -1.480 6.986) 7.353 22.363 ( 5.290 3.217 -0.118) 6.192 22.417 ( 0.349 3.930 -2.767) 4.819 22.486 ( 1.987 5.810 1.811) 6.402 22.786 ( -2.935 4.125 -1.896) 5.406 22.922 ( -0.703 6.701 -0.857) 6.792 23.235 ( -0.171 -5.681 -5.416) 7.850 23.398 ( 4.699 0.633 -0.464) 4.764 23.587 ( -4.109 -4.328 -2.910) 6.639 23.719 ( -2.415 2.836 -3.312) 4.985 23.835 ( 4.418 -3.849 -6.026) 8.405 24.092 ( -6.174 -6.235 -0.129) 8.776 24.213 ( 6.202 -4.365 3.292) 8.268 24.258 ( -1.760 -3.352 6.073) 7.157 24.617 ( -4.591 0.546 -5.630) 7.285 24.742 ( -6.143 -0.853 2.995) 6.887 25.465 ( -17.035 7.346 -5.963) 19.486 25.581 ( -20.317 4.951 3.786) 21.252 26.553 ( 3.676 0.635 -0.570) 3.774 26.566 ( 3.118 0.146 0.800) 3.222 26.697 ( 6.387 -2.352 -2.199) 7.153 26.726 ( 2.526 -2.753 2.415) 4.449 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 14.418 5.757 10.305) 18.633 2.085 ( 14.276 6.009 5.099) 16.306 2.289 ( 4.617 -3.261 -3.873) 6.852 2.378 ( -1.367 1.500 -8.105) 8.355 2.400 ( 2.634 0.601 4.068) 4.883 2.630 ( -0.476 4.205 -2.318) 4.825 2.752 ( -0.781 -0.331 1.188) 1.460 2.824 ( 4.512 4.001 -4.966) 7.812 2.867 ( 3.452 -1.055 -1.831) 4.047 2.989 ( -13.451 5.532 -0.914) 14.573 3.065 ( 3.906 -1.390 8.872) 9.793 3.124 ( -8.679 0.202 7.391) 11.401 3.270 ( 4.569 -3.497 3.179) 6.574 3.403 ( -1.842 -7.451 4.539) 8.917 3.420 ( 5.944 -3.909 1.142) 7.205 3.505 ( 0.584 -0.020 4.377) 4.416 3.601 ( 3.340 -11.845 -0.083) 12.307 3.644 ( 2.018 -10.003 3.514) 10.793 3.684 ( 4.232 -1.021 0.315) 4.364 3.808 ( -0.920 -5.407 5.569) 7.817 3.940 ( 1.365 5.779 -12.381) 13.731 3.965 ( -3.292 1.174 1.165) 3.684 3.979 ( -2.247 1.612 -5.469) 6.129 4.129 ( -4.048 1.927 -1.735) 4.807 4.273 ( 1.957 -2.528 5.610) 6.457 4.307 ( 2.144 4.264 1.366) 4.964 4.361 ( 2.640 0.527 -0.366) 2.716 4.457 ( 0.807 7.480 -3.785) 8.422 4.516 ( -1.217 5.463 -3.610) 6.660 4.570 ( 2.597 3.228 -2.043) 4.619 4.603 ( -3.037 4.076 -2.363) 5.606 4.775 ( -2.879 7.986 5.022) 9.864 4.832 ( 4.542 -4.584 -2.393) 6.882 4.865 ( 12.517 0.613 -14.369) 19.066 4.946 ( -0.412 1.555 -0.787) 1.791 5.002 ( -1.676 1.532 2.239) 3.189 5.023 ( -0.004 -0.800 2.105) 2.251 5.210 ( -3.641 1.270 -4.174) 5.683 5.262 ( 1.922 3.076 -2.215) 4.250 5.358 ( 2.728 1.389 -0.277) 3.074 5.431 ( -4.718 9.259 1.855) 10.556 5.549 ( -1.335 2.149 3.083) 3.988 5.597 ( 0.819 2.899 1.458) 3.347 5.699 ( 6.175 -1.905 0.683) 6.498 5.799 ( 12.916 1.873 -0.175) 13.052 5.871 ( 4.566 5.604 2.764) 7.739 5.974 ( 4.022 0.345 1.394) 4.270 6.054 ( 4.701 -3.374 3.071) 6.551 6.072 ( 14.059 0.650 2.834) 14.356 6.159 ( -2.901 -0.194 5.484) 6.207 6.248 ( -5.368 -10.961 0.862) 12.235 6.408 ( -5.907 8.601 -2.897) 10.829 6.478 ( 4.202 -5.051 -1.383) 6.714 6.526 ( 6.760 -3.206 -4.431) 8.695 6.614 ( -2.593 -2.526 -1.676) 3.989 6.695 ( -8.164 5.906 -0.720) 10.102 6.728 ( -7.983 3.041 -1.939) 8.760 6.762 ( -11.566 1.412 -0.562) 11.665 6.851 ( 3.144 0.529 1.875) 3.698 6.936 ( -4.899 2.054 -0.256) 5.319 7.030 ( -6.586 1.568 4.416) 8.083 7.088 ( -8.994 1.564 -4.146) 10.027 7.191 ( 1.093 0.738 -0.063) 1.320 7.484 ( -4.496 -2.135 3.269) 5.955 7.506 ( -9.395 -1.702 -4.316) 10.478 7.570 ( -2.231 -2.834 -4.769) 5.979 7.727 ( -2.863 -4.944 0.164) 5.716 7.782 ( -2.920 -2.849 -2.461) 4.765 8.300 ( 4.424 -3.422 1.631) 5.826 8.331 ( 2.279 -0.460 0.851) 2.476 8.462 ( 5.438 1.457 0.797) 5.686 8.485 ( 0.129 0.403 -0.061) 0.427 8.522 ( 6.285 -3.671 3.383) 8.026 8.622 ( 4.865 -1.402 4.521) 6.788 8.628 ( 8.121 -0.701 12.402) 14.841 8.842 ( 1.127 -4.815 -2.608) 5.591 8.874 ( -2.089 -3.506 4.334) 5.953 8.923 ( -5.729 0.172 -1.916) 6.043 8.960 ( -2.584 -2.495 0.822) 3.685 9.064 ( 3.557 1.686 2.766) 4.811 9.145 ( -2.647 -0.960 0.079) 2.816 9.180 ( -2.543 2.271 -2.797) 4.409 9.227 ( -1.048 -2.018 6.280) 6.679 9.325 ( 2.908 0.999 -2.859) 4.198 9.436 ( 0.674 0.561 -0.468) 0.994 9.533 ( -2.563 1.900 -4.333) 5.380 9.625 ( -4.767 4.180 -3.016) 7.020 9.712 ( 0.037 5.530 -2.952) 6.269 9.756 ( -6.588 3.942 1.190) 7.769 9.855 ( -4.417 0.394 -6.823) 8.138 9.964 ( -3.788 -1.870 6.783) 7.991 10.075 ( 2.337 -1.947 7.283) 7.892 10.106 ( 0.198 -2.774 -3.544) 4.504 10.289 ( 2.061 1.973 -6.099) 6.734 10.319 ( 1.945 4.426 2.959) 5.668 10.337 ( 0.625 3.896 2.220) 4.527 10.379 ( 3.813 1.452 0.993) 4.199 10.512 ( -2.270 -2.412 -1.002) 3.461 10.548 ( -6.926 1.554 -0.320) 7.106 10.565 ( 0.231 6.770 -6.981) 9.727 10.755 ( 4.537 2.815 5.527) 7.685 10.874 ( 1.991 -4.625 7.371) 8.927 11.009 ( -5.156 -0.104 -2.151) 5.587 11.059 ( -2.238 -4.403 1.749) 5.240 11.108 ( 0.556 -0.458 -0.200) 0.748 11.149 ( 1.449 2.836 0.370) 3.206 11.200 ( 1.277 0.740 -0.326) 1.511 11.271 ( -0.344 4.315 -3.748) 5.726 11.491 ( -2.467 -4.387 3.702) 6.248 11.503 ( 2.915 2.996 -4.114) 5.865 11.601 ( -4.540 1.930 -1.839) 5.265 11.659 ( -0.235 0.177 -4.950) 4.958 11.792 ( 2.090 -1.309 1.399) 2.835 11.921 ( -4.246 -5.448 -3.780) 7.874 12.268 ( -0.630 -8.123 8.171) 11.539 12.395 ( 6.673 0.910 1.585) 6.919 12.425 ( 2.461 -3.423 4.068) 5.859 12.598 ( 2.319 -4.826 2.036) 5.728 12.648 ( -0.543 -0.477 -4.582) 4.638 12.724 ( 4.398 -3.414 3.015) 6.331 12.788 ( 7.524 -6.265 -0.257) 9.794 12.835 ( -0.406 -1.286 -6.868) 6.999 12.902 ( -1.125 -4.010 2.608) 4.914 12.915 ( 2.494 -1.498 -1.774) 3.408 12.996 ( -1.712 3.040 -1.045) 3.642 13.084 ( 6.642 -4.411 -1.865) 8.189 13.158 ( 4.733 -1.991 1.066) 5.244 13.168 ( 0.222 5.000 1.651) 5.270 13.511 ( 0.961 3.997 3.361) 5.310 13.581 ( 8.516 8.882 -1.364) 12.380 13.751 ( 1.337 5.766 -8.772) 10.582 13.883 ( -3.220 6.425 -5.909) 9.304 14.196 ( -1.203 -9.563 -0.422) 9.647 14.220 ( 1.699 -6.535 -5.605) 8.776 14.400 ( 3.356 -3.823 -0.959) 5.176 14.460 ( -2.951 2.252 2.072) 4.251 14.818 ( 6.507 2.819 0.464) 7.107 14.843 ( -2.298 0.166 -1.686) 2.855 14.988 ( -4.081 -7.251 3.948) 9.210 15.143 ( 3.071 3.787 3.164) 5.812 15.275 ( 1.158 -0.051 -1.058) 1.569 15.309 ( 2.188 -3.794 -2.922) 5.266 15.517 ( 0.947 9.202 1.826) 9.429 15.639 ( -5.233 6.346 0.291) 8.230 16.193 ( -3.976 -1.588 13.696) 14.349 16.236 ( -2.136 -1.366 6.164) 6.665 16.330 ( 1.520 0.516 -3.872) 4.192 16.528 ( -1.076 -4.310 -9.233) 10.246 17.247 ( -6.794 0.506 4.032) 7.917 17.283 ( 0.088 0.428 -5.114) 5.133 17.408 ( -2.015 -2.358 -0.019) 3.102 17.427 ( -2.941 -2.146 -0.045) 3.641 20.810 ( 2.214 1.374 0.486) 2.651 20.862 ( 0.364 1.102 -1.533) 1.923 21.259 ( 1.386 -7.727 9.367) 12.222 21.366 ( 5.148 -8.542 -0.737) 10.000 21.873 ( -0.501 6.915 5.830) 9.059 21.972 ( 1.822 4.801 -3.527) 6.229 22.312 ( -0.142 -2.944 5.724) 6.438 22.390 ( -0.502 -2.026 -3.038) 3.686 22.463 ( 4.031 4.385 1.213) 6.079 22.531 ( 1.274 4.950 1.675) 5.379 22.744 ( -0.374 6.037 0.585) 6.077 22.889 ( -1.048 10.324 -3.592) 10.981 23.180 ( -0.995 -4.847 -4.930) 6.985 23.377 ( -5.763 1.893 -8.149) 10.159 23.568 ( 2.943 -4.245 2.099) 5.576 23.662 ( 0.318 1.298 -4.243) 4.448 23.902 ( 3.813 -5.741 -1.242) 7.003 23.975 ( -4.906 -3.411 -0.296) 5.983 24.239 ( -2.844 -4.943 4.836) 7.478 24.288 ( 1.264 -8.389 -1.201) 8.569 24.621 ( 5.228 6.709 0.206) 8.508 24.713 ( -1.187 6.635 1.559) 6.919 25.177 ( -5.308 3.036 -4.629) 7.669 25.230 ( -16.102 3.081 3.051) 16.675 26.607 ( 1.484 0.128 0.153) 1.498 26.612 ( 1.486 0.339 -0.186) 1.536 26.758 ( -0.660 -2.185 2.758) 3.580 26.782 ( 3.616 -2.353 -2.612) 5.043 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -8.140 3.101 3.000) 9.213 2.123 ( -15.953 6.720 -5.642) 18.207 2.199 ( -9.126 -2.598 5.749) 11.094 2.305 ( -1.294 0.674 -5.060) 5.266 2.417 ( -5.394 4.406 6.518) 9.539 2.565 ( 1.419 5.440 0.413) 5.637 2.715 ( -6.241 4.283 6.358) 9.885 2.757 ( -3.082 0.025 2.233) 3.806 2.812 ( 0.439 -1.480 1.717) 2.309 3.032 ( 5.292 -2.416 -4.544) 7.382 3.137 ( 2.930 -8.633 1.187) 9.194 3.228 ( 13.528 2.014 -1.484) 13.757 3.359 ( 2.431 -6.216 -4.973) 8.324 3.460 ( -1.723 -3.360 3.963) 5.474 3.465 ( 5.594 -1.904 -3.020) 6.636 3.521 ( -8.362 -2.900 -0.574) 8.869 3.598 ( 2.139 -6.010 0.294) 6.386 3.670 ( -0.386 0.482 2.822) 2.889 3.752 ( -9.269 -0.735 0.908) 9.343 3.795 ( -2.950 -0.218 -5.872) 6.575 3.866 ( -2.363 -0.154 -0.594) 2.442 3.894 ( 7.889 1.624 -2.138) 8.333 4.006 ( 2.699 -4.513 5.401) 7.538 4.089 ( 2.829 1.914 -5.963) 6.872 4.307 ( -2.344 2.027 4.902) 5.800 4.340 ( -4.504 3.161 0.629) 5.538 4.375 ( -5.814 4.182 5.119) 8.803 4.403 ( -5.510 3.836 2.673) 7.226 4.414 ( -0.695 -1.553 -1.457) 2.240 4.512 ( -5.809 2.105 0.048) 6.179 4.606 ( 1.971 3.070 2.027) 4.174 4.637 ( -10.940 4.140 -0.983) 11.739 4.759 ( 0.372 -1.786 3.929) 4.332 4.859 ( -5.509 11.947 3.762) 13.683 4.879 ( -3.377 1.119 -1.106) 3.726 5.063 ( 2.677 -2.508 -4.686) 5.951 5.122 ( 5.462 -3.368 2.107) 6.754 5.167 ( 3.542 2.517 -5.286) 6.842 5.290 ( 0.980 3.988 -3.017) 5.096 5.330 ( 3.370 2.363 -1.713) 4.458 5.442 ( -7.927 5.506 4.316) 10.573 5.575 ( -2.101 -0.254 0.569) 2.192 5.667 ( 5.440 -0.776 -2.232) 5.931 5.710 ( 4.559 3.082 -8.101) 9.793 5.801 ( -10.376 0.239 2.692) 10.722 5.903 ( -2.176 6.787 -1.262) 7.238 6.014 ( -3.796 1.071 -1.729) 4.307 6.060 ( -6.422 -0.938 1.124) 6.587 6.187 ( -8.549 -3.727 -1.803) 9.498 6.255 ( 10.923 -4.590 -2.298) 12.069 6.288 ( 2.563 -2.032 -3.277) 4.630 6.352 ( -4.757 1.626 -0.195) 5.031 6.455 ( -1.752 -0.643 -2.815) 3.377 6.460 ( -6.812 -2.420 0.595) 7.254 6.575 ( 4.500 5.293 3.487) 7.773 6.701 ( 8.071 0.298 -0.034) 8.077 6.741 ( 9.680 1.001 -1.216) 9.807 6.766 ( 17.825 2.534 4.106) 18.467 6.838 ( 2.647 4.601 -1.454) 5.503 6.914 ( 2.065 2.403 -0.848) 3.280 7.028 ( -1.144 1.961 -0.581) 2.343 7.065 ( 7.027 -0.938 2.987) 7.693 7.268 ( -6.150 -2.599 -6.065) 9.020 7.349 ( 6.417 -0.785 8.267) 10.495 7.459 ( 1.064 -4.665 5.757) 7.486 7.560 ( 1.958 -0.003 -3.325) 3.859 7.737 ( 2.615 -1.904 0.565) 3.284 7.766 ( 3.259 -3.850 -2.088) 5.459 8.312 ( -3.948 -2.569 0.046) 4.711 8.363 ( -0.525 -0.665 -0.826) 1.184 8.450 ( -3.820 -1.554 0.767) 4.195 8.486 ( -3.161 2.498 -0.696) 4.089 8.557 ( -4.885 -3.532 1.995) 6.349 8.664 ( 0.254 -3.386 -0.977) 3.533 8.790 ( -5.664 -5.155 -0.155) 7.660 8.804 ( -4.129 1.147 1.944) 4.706 8.870 ( 4.310 -1.282 1.881) 4.875 8.895 ( 3.257 -5.294 3.165) 6.975 8.971 ( 1.992 -0.074 7.363) 7.628 9.060 ( -3.521 2.000 -5.889) 7.147 9.078 ( -1.808 -2.549 0.940) 3.263 9.201 ( 5.165 3.876 1.667) 6.669 9.259 ( -0.549 -0.482 -0.537) 0.907 9.344 ( 2.506 -1.340 -0.474) 2.881 9.457 ( 0.132 0.585 -0.679) 0.906 9.483 ( -0.131 1.791 -1.751) 2.508 9.596 ( -2.401 5.598 -1.795) 6.350 9.689 ( 9.482 1.539 0.541) 9.621 9.734 ( 0.563 4.987 1.954) 5.385 9.838 ( 5.208 1.756 -5.677) 7.901 9.969 ( 0.249 -1.695 6.756) 6.970 10.104 ( 4.151 -2.119 -5.154) 6.948 10.144 ( -0.969 0.743 7.242) 7.344 10.235 ( -7.544 -1.215 -6.568) 10.076 10.332 ( -0.601 3.845 -0.450) 3.918 10.352 ( -1.375 1.257 2.330) 2.983 10.427 ( 0.326 0.651 4.622) 4.679 10.480 ( 1.366 7.433 -0.143) 7.559 10.511 ( 3.143 -2.909 -3.799) 5.725 10.550 ( 3.603 6.240 -2.558) 7.646 10.808 ( -6.637 -2.521 0.928) 7.160 10.923 ( 0.230 -1.678 3.573) 3.954 10.935 ( 1.482 2.107 5.166) 5.772 11.036 ( -0.805 -4.602 -1.890) 5.040 11.102 ( -4.694 2.988 3.057) 6.350 11.182 ( 3.275 3.486 -0.803) 4.850 11.199 ( 5.299 2.594 -1.331) 6.048 11.308 ( 0.306 -2.322 -6.622) 7.024 11.449 ( 0.980 1.617 1.211) 2.246 11.533 ( -3.067 -3.669 2.232) 5.277 11.596 ( 8.276 4.478 -4.218) 10.312 11.664 ( 3.346 -3.711 -5.338) 7.312 11.791 ( -5.616 -2.460 -0.782) 6.181 11.879 ( 4.095 -2.143 2.090) 5.072 12.261 ( -6.308 -3.708 9.290) 11.826 12.394 ( -3.489 -8.097 -3.663) 9.548 12.533 ( 0.636 -4.409 7.073) 8.359 12.579 ( -3.507 -0.998 -3.882) 5.326 12.615 ( -1.862 0.376 8.936) 9.136 12.700 ( -6.928 -1.092 -8.036) 10.666 12.743 ( -7.401 -2.570 2.509) 8.227 12.812 ( -5.317 -4.001 -2.187) 7.004 12.889 ( 1.042 -0.841 1.544) 2.044 12.903 ( 1.029 -1.109 1.927) 2.450 12.974 ( -4.994 -6.540 1.716) 8.405 13.134 ( 1.897 -0.636 -8.035) 8.280 13.193 ( 2.404 0.374 -1.765) 3.005 13.257 ( 3.036 -1.551 -4.132) 5.357 13.469 ( -5.994 10.247 4.083) 12.554 13.643 ( 1.531 7.265 -10.364) 12.749 13.768 ( -0.867 5.789 -1.549) 6.056 13.808 ( 1.877 7.230 -1.291) 7.580 14.157 ( -2.511 -6.326 0.043) 6.807 14.216 ( -1.098 -4.606 -2.392) 5.305 14.357 ( -1.073 -4.488 1.787) 4.948 14.540 ( 7.731 3.984 -4.778) 9.923 14.774 ( -6.661 -4.061 3.451) 8.530 14.814 ( -4.023 2.324 1.838) 4.997 15.056 ( -0.657 -11.649 -0.700) 11.689 15.122 ( 5.909 -3.119 3.157) 7.390 15.248 ( -2.656 1.986 1.607) 3.685 15.358 ( -1.756 0.606 -7.469) 7.697 15.554 ( -0.639 8.616 -1.854) 8.836 15.617 ( 6.880 8.197 1.956) 10.879 16.221 ( -2.532 -3.258 9.782) 10.616 16.272 ( 0.658 -2.491 12.658) 12.917 16.329 ( 0.873 1.299 -3.313) 3.664 16.462 ( 1.325 -2.348 -10.868) 11.198 17.189 ( -1.063 0.827 4.044) 4.262 17.325 ( 6.167 -1.150 -3.281) 7.080 17.393 ( 1.511 -2.194 0.169) 2.669 17.448 ( 4.663 -1.351 -1.263) 5.016 20.830 ( -1.881 1.396 -1.032) 2.560 20.844 ( 0.031 1.526 -0.058) 1.528 21.300 ( -2.563 -7.268 6.084) 9.819 21.412 ( 1.257 -11.797 -5.081) 12.906 21.884 ( -2.410 6.486 5.011) 8.543 21.978 ( 1.279 5.507 -4.049) 6.954 22.316 ( -2.653 -5.143 4.097) 7.091 22.359 ( -1.463 -2.851 -0.318) 3.220 22.518 ( -0.562 3.929 -2.079) 4.480 22.554 ( 3.216 5.068 -1.358) 6.154 22.790 ( 1.443 7.033 3.201) 7.860 22.822 ( -0.834 8.456 -5.822) 10.300 23.178 ( -1.699 -0.430 2.271) 2.869 23.248 ( 2.470 3.928 -1.930) 5.025 23.528 ( -6.896 -2.093 3.944) 8.216 23.704 ( 3.497 -1.325 -6.521) 7.517 23.865 ( -5.223 -3.858 2.128) 6.833 23.995 ( 4.823 -3.096 -1.613) 5.953 24.219 ( -0.628 -5.372 4.178) 6.835 24.350 ( 6.055 -8.549 -4.445) 11.380 24.558 ( -9.791 7.458 4.697) 13.174 24.749 ( -1.064 3.576 -0.119) 3.733 25.063 ( 3.879 7.479 4.896) 9.744 25.310 ( 15.853 0.756 -3.747) 16.307 26.600 ( -2.036 0.334 0.402) 2.102 26.623 ( -0.418 0.009 -0.806) 0.908 26.732 ( -3.672 -1.464 2.475) 4.664 26.811 ( 1.086 -3.063 -2.581) 4.150 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -29.049 11.205 -3.257) 31.305 1.864 ( -21.429 13.642 6.888) 26.320 1.921 ( -8.845 5.012 -1.331) 10.253 2.311 ( -0.726 -5.600 2.769) 6.289 2.393 ( 0.483 1.726 -3.212) 3.678 2.608 ( -4.385 -0.717 1.570) 4.713 2.665 ( 0.070 -2.585 3.993) 4.757 2.740 ( 0.497 4.824 -1.629) 5.116 2.871 ( 4.767 -4.669 3.040) 7.333 3.011 ( -11.199 -0.619 5.643) 12.556 3.084 ( -11.179 -2.065 -1.064) 11.418 3.138 ( -15.308 -5.764 -0.096) 16.358 3.176 ( -15.625 2.482 -3.796) 16.270 3.423 ( -1.615 0.988 -4.276) 4.676 3.457 ( -4.990 0.999 4.153) 6.569 3.529 ( -3.407 -6.645 -2.605) 7.908 3.599 ( 8.867 -2.978 -0.754) 9.384 3.661 ( 6.466 0.921 -3.598) 7.457 3.766 ( 1.611 0.170 4.060) 4.371 3.771 ( 1.219 -0.916 -0.800) 1.722 3.819 ( 2.410 -1.022 -3.574) 4.430 3.945 ( -3.322 -0.509 8.513) 9.152 4.031 ( -0.726 7.065 -2.370) 7.487 4.116 ( 4.418 1.537 -8.254) 9.487 4.218 ( -1.359 3.596 3.129) 4.957 4.282 ( -6.390 5.784 3.620) 9.348 4.312 ( -4.859 -1.840 -0.426) 5.213 4.387 ( 2.496 6.248 -0.105) 6.729 4.407 ( -1.606 -3.743 -2.875) 4.986 4.530 ( -0.813 -0.725 6.025) 6.123 4.545 ( 3.858 1.079 5.583) 6.872 4.606 ( -7.742 -0.531 1.644) 7.933 4.764 ( -2.775 3.535 2.204) 5.005 4.806 ( 1.428 5.732 0.367) 5.919 4.875 ( 4.309 1.197 -0.440) 4.493 4.987 ( -5.705 0.275 -2.709) 6.321 5.125 ( -6.700 4.282 1.223) 8.045 5.170 ( 2.925 -3.636 -1.523) 4.908 5.181 ( -11.818 1.870 -7.658) 14.206 5.371 ( 1.677 1.377 0.683) 2.275 5.406 ( -1.345 -7.691 -0.424) 7.819 5.439 ( -3.638 5.489 0.843) 6.639 5.605 ( -10.279 2.690 -4.761) 11.643 5.676 ( -6.152 2.743 -5.363) 8.610 5.739 ( -7.362 0.386 -2.609) 7.821 5.823 ( -1.750 -2.197 0.790) 2.918 5.933 ( 3.439 -2.804 2.257) 4.979 5.970 ( -1.033 6.293 -6.085) 8.815 5.987 ( 0.801 0.646 -1.004) 1.437 6.139 ( -7.247 -2.354 0.959) 7.680 6.320 ( 1.266 -12.580 -1.093) 12.691 6.382 ( -2.143 6.768 8.865) 11.358 6.472 ( 2.469 -11.117 0.355) 11.393 6.653 ( 3.377 -4.427 -5.354) 7.725 6.663 ( -0.294 -1.403 -5.725) 5.902 6.719 ( 15.560 -1.431 -3.407) 15.993 6.876 ( 6.479 4.646 -5.369) 9.612 6.949 ( 5.611 -0.671 -1.418) 5.826 6.989 ( 11.986 4.077 2.803) 12.968 7.123 ( 5.758 1.517 -0.700) 5.995 7.207 ( 17.655 1.693 2.026) 17.851 7.232 ( 8.943 5.791 -3.844) 11.326 7.367 ( 9.692 4.326 9.443) 14.207 7.381 ( 2.513 1.578 8.142) 8.665 7.583 ( 3.513 -0.350 1.884) 4.001 7.717 ( 11.483 -4.853 8.671) 15.185 7.785 ( -0.400 -4.485 -3.003) 5.412 7.880 ( 10.818 -1.052 2.519) 11.157 8.182 ( -13.868 2.153 -2.803) 14.311 8.227 ( -4.061 -0.345 -0.511) 4.107 8.293 ( -12.631 1.308 -2.025) 12.859 8.413 ( -7.325 -0.223 -2.622) 7.783 8.448 ( -2.442 -1.539 1.728) 3.364 8.597 ( -5.246 -1.137 -2.197) 5.800 8.666 ( -2.405 -3.028 -5.554) 6.768 8.752 ( -3.644 -4.463 1.571) 5.972 8.888 ( -5.090 1.784 -0.792) 5.451 8.942 ( 2.168 -5.201 -0.258) 5.641 8.973 ( 3.395 -6.457 2.450) 7.695 9.067 ( -2.828 -0.421 1.063) 3.050 9.128 ( 3.382 0.149 1.408) 3.667 9.241 ( 2.625 3.877 -2.442) 5.280 9.320 ( 5.013 4.370 2.741) 7.193 9.381 ( 1.825 0.573 -2.294) 2.987 9.441 ( -0.215 2.973 0.424) 3.011 9.519 ( 3.353 1.853 1.484) 4.108 9.646 ( 4.319 2.759 3.664) 6.300 9.762 ( 4.842 4.066 1.451) 6.487 9.876 ( 2.228 -0.606 -0.500) 2.362 9.962 ( 9.552 -4.230 3.215) 10.930 10.024 ( -1.978 1.958 -0.747) 2.882 10.085 ( 2.667 0.319 2.065) 3.388 10.166 ( 2.721 3.404 -4.003) 5.917 10.217 ( 4.096 -0.637 -2.073) 4.635 10.274 ( -4.169 -0.856 1.153) 4.409 10.395 ( 3.642 1.131 -1.875) 4.250 10.400 ( -0.150 3.906 -0.343) 3.924 10.439 ( -2.911 1.755 -1.968) 3.928 10.570 ( 0.870 7.589 0.417) 7.650 10.593 ( 1.045 3.600 -0.460) 3.777 10.759 ( -4.127 -0.487 4.792) 6.343 10.870 ( 4.840 -1.378 -1.800) 5.344 10.963 ( -3.323 2.016 2.797) 4.788 11.070 ( 2.501 -0.089 0.855) 2.644 11.115 ( 2.618 -1.955 1.949) 3.805 11.202 ( -0.781 -0.122 -6.700) 6.746 11.302 ( 5.431 3.417 -0.247) 6.422 11.320 ( 5.963 3.637 1.244) 7.094 11.457 ( -3.996 -4.915 -3.420) 7.199 11.490 ( 0.691 -3.277 3.674) 4.971 11.705 ( 2.598 -1.695 1.738) 3.556 11.715 ( 4.924 3.689 -5.794) 8.452 11.788 ( 5.297 -3.768 1.366) 6.642 11.924 ( -1.483 -2.426 -0.867) 2.973 12.128 ( -12.360 -1.943 5.428) 13.638 12.283 ( -4.975 -9.346 -1.606) 10.709 12.379 ( -14.009 -2.205 -0.913) 14.211 12.451 ( -9.466 -0.997 0.735) 9.546 12.500 ( -10.866 -3.306 -1.182) 11.419 12.580 ( -7.426 2.319 -1.466) 7.917 12.634 ( -7.295 0.607 11.031) 13.239 12.715 ( -1.460 -9.204 0.465) 9.331 12.840 ( -8.753 -5.560 1.997) 10.560 12.876 ( -1.596 -1.559 -2.710) 3.510 12.961 ( 1.830 2.459 1.372) 3.358 13.074 ( -1.481 -1.847 -8.982) 9.289 13.172 ( -2.127 3.199 -6.330) 7.404 13.259 ( 1.510 -6.954 -3.632) 7.989 13.343 ( -8.455 10.055 2.044) 13.296 13.515 ( -7.857 2.161 -9.155) 12.256 13.781 ( 3.757 5.370 -2.309) 6.949 13.877 ( 5.036 4.298 3.613) 7.542 14.129 ( -0.370 2.017 1.866) 2.772 14.197 ( -0.531 -9.272 2.825) 9.707 14.388 ( 0.751 -9.448 -2.530) 9.810 14.556 ( -1.183 2.664 -5.254) 6.008 14.607 ( -8.610 -9.798 -0.324) 13.047 14.836 ( 1.085 7.461 7.206) 10.430 14.959 ( -11.767 0.932 0.706) 11.824 15.109 ( -11.490 2.811 -9.791) 15.355 15.186 ( 5.466 -1.534 -1.961) 6.006 15.421 ( 8.980 -6.086 4.542) 11.761 15.565 ( 2.099 11.423 -2.240) 11.828 15.758 ( 6.040 7.764 0.390) 9.845 16.208 ( -3.140 -2.140 4.394) 5.810 16.301 ( -0.648 1.703 -3.791) 4.206 16.412 ( 3.660 -6.749 7.061) 10.431 16.473 ( 5.399 -3.234 -0.236) 6.298 17.261 ( 4.725 0.371 5.018) 6.902 17.425 ( 5.320 -4.467 0.931) 7.009 17.498 ( 8.672 1.314 -3.801) 9.560 17.565 ( 7.796 -0.409 -1.676) 7.985 20.770 ( -2.595 1.531 -1.291) 3.278 20.831 ( -1.595 1.098 0.310) 1.961 21.238 ( -5.748 -4.919 0.936) 7.623 21.330 ( -5.029 -12.753 -10.131) 17.046 21.863 ( -2.501 5.144 5.066) 7.641 21.962 ( 0.395 4.004 -4.966) 6.392 22.262 ( -5.612 -1.667 4.656) 7.480 22.333 ( -2.142 -3.398 2.335) 4.646 22.456 ( -1.897 4.232 -5.935) 7.532 22.584 ( 0.887 8.477 -7.215) 11.167 22.748 ( -0.014 2.527 0.605) 2.598 22.888 ( 2.707 9.802 2.502) 10.472 23.152 ( 0.412 -3.471 2.093) 4.074 23.371 ( -1.927 4.216 1.291) 4.812 23.502 ( 6.984 -1.431 9.228) 11.661 23.686 ( -0.034 -0.193 -2.025) 2.035 23.779 ( -4.035 -1.181 0.411) 4.224 24.082 ( 4.432 -1.959 0.212) 4.850 24.259 ( 0.673 -6.104 -0.721) 6.183 24.372 ( -1.418 -4.051 -2.669) 5.054 24.460 ( -2.367 4.929 7.269) 9.096 24.765 ( 6.814 -5.363 0.976) 8.726 25.342 ( 16.513 11.917 5.532) 21.101 25.639 ( 18.394 2.477 -2.027) 18.671 26.544 ( -3.623 0.566 0.327) 3.681 26.585 ( -2.767 -0.043 -1.110) 2.982 26.650 ( -6.059 -1.149 2.193) 6.546 26.789 ( -1.528 -4.320 -3.374) 5.690 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -11.973 13.313 13.873) 22.651 1.577 ( -15.772 18.156 18.476) 30.327 1.755 ( -4.503 -1.118 -10.577) 11.550 2.214 ( -10.472 2.096 -12.029) 16.086 2.329 ( -6.304 11.399 2.907) 13.346 2.415 ( -8.875 -7.632 -2.941) 12.069 2.691 ( -1.235 0.649 9.989) 10.085 2.719 ( -12.727 14.365 15.892) 24.918 2.798 ( 1.749 -1.034 2.699) 3.379 2.882 ( -2.518 -2.576 -1.979) 4.110 2.923 ( -1.549 -0.768 -3.686) 4.072 3.008 ( 4.722 -9.351 -2.373) 10.741 3.149 ( -0.538 -6.437 3.941) 7.567 3.245 ( -7.288 0.683 -4.100) 8.390 3.320 ( -5.711 4.815 2.901) 8.014 3.472 ( -5.148 -3.706 5.065) 8.118 3.578 ( -10.953 -1.480 3.021) 11.458 3.739 ( 0.719 2.884 0.220) 2.980 3.762 ( 2.466 1.791 0.230) 3.056 3.842 ( 2.916 5.417 -6.011) 8.601 3.930 ( 7.397 -6.979 -1.008) 10.220 4.000 ( -1.673 1.604 0.210) 2.327 4.044 ( 6.762 -0.934 -1.632) 7.019 4.085 ( -2.742 4.518 0.079) 5.285 4.137 ( -1.406 1.041 -5.856) 6.111 4.190 ( -4.060 4.112 -0.284) 5.786 4.293 ( -1.557 0.395 1.244) 2.031 4.343 ( -0.505 5.680 1.219) 5.831 4.437 ( -4.428 -2.311 -0.580) 5.028 4.508 ( 7.556 2.267 0.824) 7.932 4.517 ( 1.954 0.003 -4.644) 5.039 4.627 ( -10.150 4.061 -3.530) 11.488 4.674 ( -2.693 1.805 2.157) 3.893 4.789 ( -8.056 6.103 -3.442) 10.677 4.851 ( -1.500 -2.838 2.459) 4.044 4.954 ( -3.058 1.270 3.180) 4.591 4.994 ( 4.447 1.876 -4.002) 6.270 5.083 ( -5.890 -4.793 -5.472) 9.360 5.121 ( 1.729 -1.544 -1.550) 2.788 5.275 ( -5.499 -0.074 -2.062) 5.873 5.319 ( -6.503 -0.495 -0.458) 6.537 5.370 ( -2.251 -2.333 -2.924) 4.365 5.492 ( -2.551 -0.821 3.410) 4.337 5.612 ( -0.273 4.061 -2.126) 4.593 5.650 ( 3.455 2.895 2.843) 5.329 5.774 ( -2.107 -3.763 1.758) 4.657 5.841 ( -10.509 4.041 -3.299) 11.733 6.006 ( 1.181 5.815 0.536) 5.958 6.057 ( 0.054 -7.788 11.241) 13.675 6.174 ( 6.675 -9.559 0.452) 11.668 6.301 ( 2.758 -6.407 -7.831) 10.487 6.423 ( -0.270 0.981 -1.322) 1.668 6.540 ( 5.985 -6.906 -4.829) 10.336 6.574 ( 5.899 -10.146 0.266) 11.739 6.790 ( 1.097 -3.697 5.498) 6.715 6.886 ( 5.352 -1.289 -4.493) 7.106 7.033 ( 9.535 -9.455 -4.776) 14.252 7.061 ( 8.126 -1.322 -2.268) 8.539 7.123 ( 4.037 -4.438 -4.254) 7.355 7.264 ( -3.334 3.404 2.806) 5.530 7.335 ( 4.990 -0.819 -6.563) 8.285 7.403 ( 10.136 10.041 6.059) 15.500 7.537 ( 8.586 6.558 2.728) 11.144 7.660 ( -2.030 0.623 4.026) 4.551 7.696 ( -1.300 2.378 2.879) 3.954 7.713 ( 7.310 3.772 7.709) 11.273 7.880 ( -12.734 1.316 -4.400) 13.537 7.946 ( -5.076 1.099 -5.496) 7.562 7.964 ( 2.773 -1.462 3.498) 4.697 8.156 ( 13.335 -2.131 -3.390) 13.923 8.187 ( -2.497 1.123 6.614) 7.158 8.349 ( -0.619 5.014 -3.533) 6.164 8.394 ( -2.777 1.485 6.019) 6.793 8.503 ( -1.483 1.009 0.181) 1.802 8.564 ( -3.739 4.918 -8.277) 10.329 8.707 ( -2.684 -6.943 1.151) 7.532 8.789 ( -5.210 1.505 2.893) 6.146 8.946 ( -5.219 -2.268 -1.787) 5.964 9.021 ( 4.941 -6.472 -1.888) 8.359 9.057 ( 0.543 -7.914 6.508) 10.261 9.200 ( 4.297 -2.543 0.166) 4.996 9.259 ( 1.017 3.451 -2.758) 4.533 9.363 ( 2.157 2.671 -2.870) 4.475 9.436 ( -1.005 1.942 1.717) 2.780 9.516 ( 6.653 2.552 6.038) 9.340 9.582 ( 4.467 2.328 -4.264) 6.600 9.740 ( 2.913 2.681 2.273) 4.565 9.872 ( -0.472 -0.925 -1.187) 1.577 9.923 ( 5.284 5.124 3.154) 8.008 10.041 ( 1.439 4.729 -1.726) 5.236 10.059 ( -3.004 -0.928 -2.263) 3.875 10.108 ( 0.327 -1.985 0.256) 2.028 10.149 ( -0.552 3.571 0.718) 3.684 10.218 ( 0.650 0.439 1.333) 1.547 10.274 ( 2.459 1.608 -4.533) 5.402 10.278 ( -6.010 5.273 0.918) 8.048 10.458 ( 2.563 0.832 1.054) 2.894 10.542 ( 5.235 4.379 -0.213) 6.828 10.602 ( 4.852 4.660 -0.806) 6.776 10.628 ( 1.687 4.266 0.539) 4.619 10.780 ( 7.308 0.356 0.507) 7.334 10.931 ( -1.300 -2.791 4.948) 5.828 11.051 ( 6.614 -0.256 -2.168) 6.965 11.071 ( 2.306 4.695 0.719) 5.280 11.114 ( -1.127 2.214 -5.690) 6.209 11.169 ( -0.239 -5.804 -1.572) 6.018 11.350 ( -3.346 -4.513 -3.251) 6.491 11.402 ( 4.658 -1.978 1.055) 5.169 11.463 ( 5.773 4.730 2.401) 7.840 11.522 ( -4.690 -1.841 3.329) 6.039 11.712 ( -1.599 -3.507 0.843) 3.945 11.775 ( 1.529 4.128 -0.823) 4.478 11.796 ( -7.551 -2.389 3.723) 8.751 11.889 ( 1.145 -5.802 0.672) 5.952 11.921 ( -7.525 -8.347 -0.205) 11.240 12.092 ( -8.306 -8.222 -1.928) 11.845 12.213 ( -6.103 -1.261 1.300) 6.366 12.286 ( -5.631 -0.544 -2.511) 6.189 12.310 ( -5.378 1.597 0.603) 5.642 12.433 ( -9.841 -2.581 -1.098) 10.233 12.574 ( -6.442 2.548 10.089) 12.238 12.598 ( -7.107 -0.956 -5.052) 8.772 12.662 ( -8.684 -4.894 2.289) 10.228 12.836 ( -1.252 -6.100 -0.682) 6.265 12.939 ( -0.857 -7.327 -5.780) 9.371 12.984 ( -4.382 2.638 -1.263) 5.268 13.080 ( -3.366 1.265 -3.072) 4.729 13.218 ( -3.115 10.131 -2.957) 11.004 13.247 ( -4.745 -8.444 -4.910) 10.859 13.295 ( -3.978 8.266 -3.198) 9.715 13.881 ( 4.898 2.133 2.200) 5.777 14.027 ( 6.390 3.869 0.715) 7.505 14.101 ( -4.641 -2.002 4.489) 6.760 14.226 ( 2.406 -5.930 1.246) 6.520 14.341 ( 0.334 -6.495 -2.117) 6.839 14.513 ( 0.822 -0.706 -4.146) 4.285 14.527 ( -0.641 -6.616 1.007) 6.723 14.715 ( -11.398 2.117 0.323) 11.597 14.796 ( -8.979 7.377 -6.537) 13.333 14.866 ( -6.103 3.364 1.454) 7.119 15.286 ( 3.871 4.382 2.973) 6.559 15.538 ( 1.782 7.054 -3.116) 7.915 15.650 ( 5.466 2.239 4.310) 7.312 15.841 ( 2.524 5.428 -1.484) 6.167 16.170 ( -2.824 -1.194 2.975) 4.272 16.254 ( -1.018 1.779 -4.268) 4.734 16.519 ( 5.795 -5.110 0.599) 7.749 16.610 ( 3.666 -10.863 5.463) 12.700 17.397 ( 4.686 0.478 5.563) 7.290 17.544 ( 5.034 -3.625 0.815) 6.257 17.625 ( 6.294 2.467 -2.933) 7.369 17.700 ( 6.550 -0.466 -2.923) 7.187 20.732 ( -0.566 1.314 -0.158) 1.440 20.795 ( -1.747 1.023 -0.336) 2.052 21.108 ( -7.638 -5.167 -5.395) 10.684 21.120 ( -7.164 -4.519 -4.133) 9.425 21.859 ( -1.731 4.285 5.996) 7.570 21.951 ( 1.747 3.062 -4.375) 5.618 22.180 ( -5.292 -0.128 5.384) 7.550 22.292 ( -2.784 -3.232 0.062) 4.266 22.392 ( -1.077 6.932 -3.479) 7.831 22.516 ( -1.538 11.745 -8.178) 14.394 22.797 ( 2.255 1.323 4.207) 4.953 22.938 ( 1.254 6.299 0.502) 6.443 23.201 ( 1.815 -2.779 3.742) 5.002 23.307 ( -3.182 0.929 1.252) 3.544 23.627 ( 2.320 -5.017 2.470) 6.054 23.704 ( -1.760 -0.157 3.038) 3.514 23.803 ( 6.439 2.116 -2.888) 7.367 24.134 ( -4.914 -0.279 -3.043) 5.787 24.185 ( 1.186 -8.113 -1.509) 8.337 24.337 ( 0.310 -4.915 -3.261) 5.907 24.661 ( 13.163 0.089 12.123) 17.895 24.935 ( 8.240 -7.864 -2.094) 11.581 25.709 ( 15.714 10.728 8.141) 20.695 25.955 ( 13.713 4.736 -1.258) 14.562 26.479 ( -2.777 0.610 0.341) 2.864 26.514 ( -2.952 0.316 -1.110) 3.170 26.542 ( -5.296 -0.788 0.818) 5.416 26.693 ( -6.190 -4.313 -4.184) 8.626 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.785 14.270 10.263) 17.595 1.627 ( -0.407 -2.003 -8.294) 8.542 1.809 ( -0.293 16.349 13.283) 21.067 2.008 ( -0.484 -2.057 -6.408) 6.747 2.150 ( 0.363 -6.500 4.340) 7.824 2.267 ( -1.152 -13.263 -7.112) 15.094 2.688 ( -0.660 -2.083 1.801) 2.832 2.698 ( 1.352 -4.298 1.476) 4.742 2.826 ( 3.297 0.831 -0.522) 3.440 2.865 ( 0.645 -1.734 -3.675) 4.114 2.969 ( 1.775 -3.700 -3.418) 5.341 3.001 ( -4.554 -6.174 -4.996) 9.155 3.267 ( -1.891 19.808 7.803) 21.373 3.333 ( 3.113 15.884 -0.544) 16.195 3.443 ( 3.773 6.045 5.274) 8.865 3.481 ( -1.803 7.722 0.353) 7.938 3.624 ( 1.805 9.536 12.422) 15.764 3.703 ( -2.001 -9.081 1.836) 9.479 3.810 ( 2.899 2.166 8.183) 8.947 3.868 ( 0.667 0.399 -1.339) 1.549 3.883 ( 0.607 -1.974 -2.440) 3.197 3.929 ( -5.462 3.246 -3.365) 7.190 4.105 ( -3.722 2.808 3.223) 5.668 4.137 ( -2.745 1.395 1.098) 3.269 4.151 ( 3.481 -1.130 -4.411) 5.732 4.241 ( 4.824 3.744 -1.020) 6.191 4.350 ( 7.186 -3.517 1.006) 8.064 4.365 ( -5.417 -4.597 0.953) 7.168 4.441 ( 1.986 -0.406 2.096) 2.916 4.506 ( -8.563 2.358 2.549) 9.240 4.529 ( -1.215 -5.752 -0.526) 5.903 4.572 ( -1.314 -1.378 1.214) 2.258 4.631 ( -1.813 0.349 -4.319) 4.697 4.670 ( 6.907 2.765 -9.223) 11.850 4.775 ( -2.895 -3.822 5.217) 7.086 4.907 ( 2.116 -6.393 -3.092) 7.410 4.982 ( -0.540 9.445 -0.382) 9.468 5.045 ( 1.508 4.532 -1.775) 5.095 5.164 ( 3.840 -0.291 0.139) 3.854 5.192 ( -1.032 0.270 -2.369) 2.598 5.215 ( -1.526 -3.331 0.513) 3.700 5.256 ( 1.792 -6.413 -3.842) 7.687 5.434 ( 2.249 -1.671 -1.299) 3.088 5.544 ( -4.322 -10.881 -9.196) 14.888 5.747 ( -1.500 5.148 4.607) 7.070 5.755 ( 1.413 6.022 7.441) 9.676 5.864 ( -5.708 -1.915 4.032) 7.246 5.933 ( 1.782 -2.015 1.116) 2.912 6.081 ( 1.387 7.072 2.544) 7.642 6.169 ( 2.127 -2.001 -2.346) 3.746 6.314 ( -5.692 0.777 -0.262) 5.751 6.355 ( 3.779 -0.910 -5.417) 6.667 6.489 ( 2.545 -7.301 -3.490) 8.483 6.546 ( 0.245 -10.298 -5.180) 11.530 6.680 ( 2.748 1.784 5.065) 6.032 6.766 ( -3.407 -6.156 -2.441) 7.447 6.933 ( -5.063 0.629 0.960) 5.191 7.035 ( -0.635 -8.196 0.667) 8.248 7.131 ( 5.920 3.817 0.351) 7.053 7.266 ( 2.913 -5.471 -5.762) 8.463 7.330 ( 2.352 1.309 0.771) 2.800 7.387 ( -7.654 -3.164 -5.404) 9.889 7.594 ( -5.527 1.254 0.958) 5.748 7.619 ( -2.041 -0.663 -0.159) 2.152 7.748 ( -0.089 3.257 -1.138) 3.451 7.773 ( 1.419 0.662 -3.851) 4.157 7.983 ( 0.873 2.677 4.097) 4.972 8.009 ( 1.965 0.267 1.097) 2.266 8.194 ( -6.327 5.683 6.235) 10.545 8.249 ( 9.661 9.162 8.913) 16.022 8.284 ( -6.676 -2.908 2.302) 7.637 8.400 ( 14.406 -5.889 4.640) 16.240 8.489 ( -6.946 8.164 -5.262) 11.942 8.526 ( 0.259 3.333 -2.714) 4.306 8.544 ( 0.381 0.929 1.115) 1.500 8.583 ( -0.473 -2.168 -3.809) 4.408 8.768 ( -2.286 0.748 4.637) 5.224 8.859 ( -0.528 -7.146 1.556) 7.333 8.861 ( -1.731 -1.567 1.047) 2.559 8.947 ( 2.688 -7.200 -3.810) 8.578 9.250 ( -3.343 0.020 -0.077) 3.344 9.254 ( -0.671 -0.480 -0.310) 0.881 9.400 ( -0.683 1.893 -1.284) 2.388 9.414 ( 0.234 0.318 -2.133) 2.169 9.679 ( 2.425 1.151 -0.646) 2.761 9.695 ( 5.560 -0.254 -2.799) 6.229 9.846 ( 0.366 1.112 0.560) 1.298 9.862 ( -2.464 -0.515 -1.035) 2.722 10.017 ( 3.811 5.571 1.377) 6.889 10.048 ( -2.384 3.353 -2.588) 4.861 10.106 ( 0.543 1.667 2.928) 3.413 10.135 ( 0.310 1.645 -0.477) 1.741 10.272 ( -0.143 1.727 3.067) 3.523 10.285 ( -5.676 4.200 3.681) 7.963 10.314 ( -2.115 7.185 2.951) 8.050 10.375 ( 2.570 2.936 -1.064) 4.044 10.543 ( -4.272 1.193 -0.049) 4.436 10.575 ( 1.926 -1.276 -0.063) 2.312 10.711 ( -0.511 5.907 1.041) 6.019 10.755 ( -2.399 -1.768 3.201) 4.374 10.828 ( -4.165 5.028 1.994) 6.827 10.967 ( 1.384 -6.462 4.160) 7.809 11.024 ( 2.196 -2.815 -5.198) 6.306 11.064 ( -3.254 2.038 -1.328) 4.063 11.092 ( 0.786 -0.777 0.424) 1.184 11.149 ( -2.353 -2.758 -1.036) 3.771 11.176 ( -2.265 -8.443 -4.879) 10.011 11.214 ( 4.940 -9.505 -4.819) 11.746 11.482 ( 4.074 0.687 4.085) 5.810 11.512 ( 5.057 -2.065 2.727) 6.105 11.703 ( -1.183 2.034 -0.309) 2.373 11.745 ( -2.704 -2.097 -3.707) 5.045 11.759 ( 1.929 5.406 5.044) 7.641 11.821 ( -1.363 1.718 0.018) 2.193 11.888 ( 1.490 -2.110 1.550) 3.012 11.922 ( -0.053 -3.235 -0.235) 3.244 12.167 ( 2.261 2.960 -0.636) 3.779 12.217 ( 1.855 -0.880 -4.574) 5.013 12.259 ( 3.662 -0.358 -1.537) 3.987 12.260 ( -4.041 1.153 -2.354) 4.817 12.449 ( -2.113 -1.864 4.341) 5.175 12.508 ( -0.923 -7.746 0.130) 7.802 12.638 ( -1.398 3.030 1.716) 3.753 12.694 ( 1.852 -1.800 -4.683) 5.348 12.829 ( -0.096 -1.253 4.416) 4.591 12.889 ( 0.757 -6.111 0.428) 6.172 12.952 ( -2.465 1.106 -5.787) 6.387 13.023 ( 0.384 -5.545 -8.146) 9.862 13.443 ( 1.000 8.850 -0.479) 8.919 13.453 ( 1.787 7.954 -1.342) 8.262 14.017 ( -2.880 -1.751 3.547) 4.893 14.041 ( 2.927 -0.360 1.641) 3.375 14.121 ( 0.731 1.184 2.211) 2.613 14.137 ( 0.550 -2.292 -0.744) 2.472 14.362 ( 2.218 -0.605 2.571) 3.449 14.417 ( -0.876 -5.132 -1.943) 5.557 14.584 ( 2.727 1.238 -1.035) 3.169 14.596 ( 5.220 0.237 -1.089) 5.337 14.715 ( -3.655 2.049 -2.350) 4.804 14.740 ( -5.190 -0.474 -4.261) 6.732 15.557 ( 1.492 9.272 7.732) 12.165 15.654 ( -0.272 2.037 0.560) 2.130 15.796 ( 0.644 2.985 0.153) 3.058 15.855 ( -2.478 -1.252 -2.827) 3.962 16.161 ( -3.337 4.420 6.371) 8.442 16.263 ( 0.558 -1.563 -2.231) 2.780 16.422 ( -1.309 -3.813 4.299) 5.894 16.505 ( 2.481 -7.902 -3.347) 8.933 17.506 ( -0.003 1.517 4.811) 5.045 17.545 ( 0.076 -2.496 1.907) 3.142 17.717 ( 0.031 1.501 -2.765) 3.146 17.737 ( 0.227 -0.712 -3.710) 3.785 20.777 ( 1.356 1.637 0.123) 2.130 20.792 ( 0.539 0.392 -1.546) 1.684 20.948 ( -1.055 -0.596 0.339) 1.258 20.968 ( -1.944 -2.316 -1.644) 3.441 21.949 ( -2.323 4.846 5.313) 7.557 22.012 ( 0.166 -0.190 0.388) 0.463 22.135 ( -0.320 1.245 1.768) 2.186 22.199 ( 2.001 -3.877 -3.095) 5.349 22.562 ( 1.220 8.082 1.777) 8.364 22.617 ( -0.235 3.577 -3.479) 4.995 22.917 ( 0.752 4.234 3.467) 5.524 22.978 ( -1.607 -0.193 -2.005) 2.577 23.252 ( 1.775 0.704 3.179) 3.709 23.274 ( -0.318 -0.186 1.086) 1.147 23.610 ( 0.716 -2.348 2.917) 3.812 23.656 ( -1.218 -4.761 -0.931) 5.002 23.884 ( 1.961 1.113 -3.402) 4.081 23.912 ( -1.668 -2.003 -6.023) 6.563 24.164 ( 0.419 -1.470 0.328) 1.564 24.192 ( -1.320 -4.170 -2.443) 5.010 24.837 ( 1.419 -0.996 2.304) 2.883 24.869 ( -0.691 -4.128 -1.374) 4.405 26.077 ( 0.276 5.205 3.835) 6.471 26.140 ( 1.458 -1.013 -2.837) 3.347 26.467 ( 0.026 0.507 0.522) 0.728 26.473 ( -0.332 -0.100 -0.062) 0.352 26.508 ( -1.163 0.260 0.312) 1.231 26.521 ( 0.473 -0.808 -0.966) 1.345 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.161 12.267 6.046) 16.461 1.627 ( 7.874 10.790 -5.738) 14.538 2.020 ( 7.988 1.313 7.169) 10.813 2.098 ( 9.473 -8.060 -2.827) 12.755 2.275 ( 11.225 -1.172 0.590) 11.301 2.318 ( 13.061 -2.610 -0.067) 13.319 2.701 ( -1.879 -0.409 2.266) 2.972 2.752 ( 2.268 -4.463 0.675) 5.052 2.779 ( -2.119 -4.122 -5.980) 7.565 2.801 ( -2.838 -7.182 -8.305) 11.341 2.898 ( -1.065 4.641 2.257) 5.269 3.027 ( 2.516 -7.353 0.518) 7.789 3.261 ( -1.050 18.188 0.445) 18.224 3.408 ( 0.620 14.811 -1.430) 14.893 3.482 ( 4.354 -3.985 0.963) 5.980 3.583 ( 1.246 0.352 -1.577) 2.041 3.695 ( 6.095 -3.539 3.469) 7.855 3.702 ( -4.842 -2.685 -2.994) 6.294 3.729 ( -9.886 4.500 4.333) 11.695 3.779 ( 0.852 -1.370 -1.381) 2.124 3.875 ( -4.786 3.007 0.192) 5.655 3.963 ( -5.616 -4.197 1.810) 7.241 4.047 ( -1.365 5.973 2.976) 6.811 4.117 ( -4.218 2.087 -2.539) 5.347 4.216 ( 11.093 3.122 0.974) 11.565 4.255 ( 6.791 9.500 9.486) 15.045 4.390 ( 3.049 -5.086 -1.430) 6.100 4.414 ( 2.626 5.935 3.459) 7.355 4.447 ( -2.570 -0.831 -3.636) 4.529 4.473 ( -4.331 0.824 1.520) 4.663 4.597 ( 9.803 -1.323 -6.182) 11.664 4.640 ( 6.300 -2.038 1.401) 6.768 4.697 ( 12.412 -2.744 2.035) 12.873 4.739 ( 6.999 8.374 -6.603) 12.756 4.809 ( 3.388 -3.748 6.205) 8.002 4.974 ( 1.592 5.255 -0.239) 5.496 4.989 ( 2.953 -4.867 -7.675) 9.556 5.042 ( 0.987 9.185 -0.445) 9.248 5.152 ( -1.664 -3.726 -5.418) 6.783 5.192 ( 0.442 -5.437 2.778) 6.121 5.258 ( 6.158 0.965 2.036) 6.557 5.345 ( 9.240 -8.991 -2.074) 13.059 5.531 ( 4.979 -5.516 -2.838) 7.954 5.546 ( 2.727 -6.894 4.688) 8.772 5.779 ( 3.118 1.939 -1.278) 3.887 5.782 ( 0.728 14.392 3.609) 14.855 5.868 ( 1.138 -5.046 5.393) 7.473 5.957 ( 4.793 5.370 -0.631) 7.225 6.026 ( -5.536 3.925 -3.077) 7.451 6.127 ( -3.818 -7.477 -0.507) 8.410 6.211 ( -8.161 1.077 1.051) 8.298 6.327 ( -9.105 -12.618 -5.144) 16.388 6.361 ( -2.241 0.699 -1.870) 3.001 6.480 ( -1.356 -7.101 -2.275) 7.579 6.716 ( -1.962 -0.498 2.691) 3.367 6.763 ( 2.149 -3.306 0.147) 3.946 6.920 ( -0.546 6.606 8.713) 10.948 7.014 ( -3.322 -0.377 -3.438) 4.796 7.121 ( -3.599 -4.898 2.708) 6.654 7.168 ( -3.024 -5.976 -12.340) 14.040 7.373 ( -0.667 7.228 2.385) 7.640 7.517 ( 0.051 -6.583 3.831) 7.616 7.595 ( 5.728 2.259 11.328) 12.893 7.612 ( -4.318 1.197 4.771) 6.545 7.678 ( -0.838 2.033 -5.261) 5.702 7.743 ( 1.239 -3.697 -3.501) 5.240 7.953 ( -2.166 3.912 -1.087) 4.602 7.997 ( -6.383 0.052 -1.341) 6.523 8.065 ( -3.635 0.772 2.081) 4.259 8.074 ( -14.784 -0.061 2.188) 14.945 8.282 ( -4.734 7.236 -4.095) 9.568 8.407 ( -3.543 -2.540 -4.945) 6.592 8.445 ( 0.183 5.703 1.691) 5.952 8.514 ( -4.028 -2.593 -2.661) 5.480 8.640 ( 7.400 5.135 1.754) 9.176 8.685 ( 3.263 3.561 -1.313) 5.006 8.775 ( 2.576 -4.964 7.013) 8.970 8.836 ( -1.797 -6.328 3.275) 7.348 8.888 ( 3.932 -0.485 -0.967) 4.079 8.975 ( 1.550 -7.801 -0.496) 7.968 9.164 ( -3.781 0.184 1.839) 4.209 9.188 ( -4.212 -1.526 3.630) 5.766 9.380 ( -2.769 2.387 0.694) 3.721 9.405 ( -2.271 0.030 1.335) 2.634 9.642 ( -0.844 5.387 -5.588) 7.808 9.707 ( 0.316 -0.760 -8.022) 8.064 9.850 ( 0.768 1.527 0.453) 1.768 9.889 ( 0.761 -1.259 0.221) 1.487 9.963 ( -3.116 6.090 0.774) 6.884 10.058 ( -3.017 -1.576 -1.447) 3.698 10.088 ( -5.635 2.120 -0.149) 6.022 10.145 ( -1.913 -2.543 -0.630) 3.244 10.193 ( -7.323 3.239 0.724) 8.040 10.229 ( 0.499 3.469 4.033) 5.343 10.287 ( -0.014 5.403 2.876) 6.121 10.372 ( -2.562 -3.990 1.397) 4.943 10.514 ( 1.981 9.947 2.353) 10.412 10.651 ( -5.782 6.648 1.420) 8.924 10.664 ( 0.639 -1.801 5.640) 5.955 10.700 ( -4.061 5.714 6.054) 9.263 10.731 ( -3.610 1.303 -4.933) 6.250 10.889 ( -8.163 -6.980 4.499) 11.645 10.967 ( -0.229 -0.639 -1.422) 1.576 11.007 ( -2.590 -5.461 -5.865) 8.422 11.125 ( 4.071 1.830 2.691) 5.211 11.156 ( -0.300 0.302 -1.171) 1.246 11.205 ( 6.234 -2.106 1.045) 6.663 11.274 ( 1.282 -9.113 -2.984) 9.674 11.581 ( -3.094 1.565 -3.446) 4.889 11.619 ( -0.720 1.334 0.352) 1.556 11.678 ( 0.351 -0.006 -0.270) 0.443 11.727 ( 10.511 -6.709 -6.551) 14.086 11.823 ( 6.044 1.789 4.091) 7.515 11.851 ( -0.138 -1.314 -0.175) 1.332 11.891 ( 0.378 3.311 -1.167) 3.531 11.988 ( 3.176 -4.075 -0.191) 5.170 12.212 ( 6.818 0.824 -0.412) 6.880 12.269 ( 7.721 -1.561 -1.926) 8.110 12.343 ( 5.969 3.344 -0.815) 6.890 12.430 ( 12.843 3.521 -1.741) 13.430 12.502 ( 0.348 -7.014 2.204) 7.361 12.542 ( 11.235 -6.378 1.813) 13.046 12.644 ( 1.823 -0.072 -0.013) 1.825 12.728 ( 1.664 -6.734 0.105) 6.937 12.868 ( 3.829 4.703 -2.796) 6.678 12.937 ( 2.374 -2.580 1.792) 3.937 12.961 ( 3.335 -0.788 4.014) 5.278 13.038 ( 5.631 -6.911 -5.220) 10.330 13.467 ( 3.541 8.269 -2.738) 9.403 13.487 ( 2.688 6.538 -2.941) 7.657 13.949 ( -5.279 1.089 1.742) 5.665 14.065 ( -1.614 -8.865 -4.101) 9.900 14.085 ( -0.535 4.416 0.470) 4.473 14.160 ( -0.016 -2.882 -0.044) 2.883 14.354 ( -1.794 2.413 -4.282) 5.232 14.429 ( -1.633 -4.009 -1.297) 4.519 14.576 ( 4.557 3.908 -4.266) 7.364 14.660 ( 7.268 -4.215 -0.650) 8.426 14.799 ( 9.202 3.616 3.918) 10.635 14.845 ( 9.079 -1.404 4.095) 10.058 15.540 ( -7.649 8.241 -2.022) 11.424 15.599 ( -4.160 3.850 1.497) 5.862 15.764 ( -4.145 2.314 -1.509) 4.981 15.816 ( -1.167 -0.913 4.508) 4.745 16.143 ( -2.921 3.730 7.884) 9.198 16.249 ( -1.644 -4.257 0.933) 4.657 16.397 ( -2.265 0.514 0.474) 2.371 16.507 ( 0.378 -8.530 -4.409) 9.609 17.478 ( -5.352 0.666 3.467) 6.412 17.497 ( -4.840 -1.238 -0.891) 5.075 17.636 ( -6.602 0.774 -0.361) 6.657 17.651 ( -6.190 -0.680 -2.751) 6.808 20.779 ( 0.385 1.926 -1.679) 2.584 20.805 ( 1.541 -0.435 -1.472) 2.175 20.981 ( 3.154 -0.475 2.187) 3.867 21.009 ( 4.936 -2.788 2.351) 6.137 21.940 ( -1.715 4.682 4.632) 6.806 22.007 ( -0.752 -1.137 0.664) 1.516 22.177 ( 3.598 2.759 0.261) 4.541 22.252 ( 5.187 -3.638 -3.083) 7.046 22.569 ( -1.247 6.947 -2.290) 7.420 22.597 ( 0.115 4.749 -0.057) 4.751 22.928 ( -1.470 3.608 -1.342) 4.121 22.967 ( 1.521 0.563 3.026) 3.433 23.247 ( -1.535 2.284 -2.040) 3.426 23.302 ( 1.447 -1.793 0.546) 2.368 23.603 ( -1.881 -1.597 -0.139) 2.472 23.676 ( 2.046 -7.694 2.751) 8.423 23.852 ( -1.238 2.468 -4.149) 4.984 23.914 ( 1.703 -4.041 -1.176) 4.541 24.163 ( -0.013 -0.838 -0.792) 1.153 24.183 ( 0.698 -2.868 1.794) 3.454 24.766 ( -7.222 -0.663 -1.471) 7.400 24.790 ( -6.112 -3.198 1.605) 7.082 25.948 ( -13.655 5.558 0.062) 14.743 26.002 ( -13.865 0.337 -1.263) 13.926 26.502 ( 3.336 0.787 0.117) 3.430 26.512 ( 2.770 0.765 0.112) 2.876 26.538 ( 5.348 -0.044 -0.167) 5.351 26.581 ( 4.173 -3.141 0.230) 5.228 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 12.883 14.351 -2.952) 19.510 1.926 ( 15.882 8.239 4.281) 18.397 2.115 ( 3.848 -4.062 0.000) 5.596 2.270 ( 6.847 -8.638 3.218) 11.483 2.537 ( 1.603 8.447 -3.412) 9.250 2.591 ( 6.986 1.959 -2.348) 7.626 2.662 ( 7.576 -1.936 10.023) 12.712 2.670 ( 5.206 -3.859 -8.757) 10.894 2.812 ( 3.746 -0.777 -1.195) 4.008 2.909 ( 1.227 -4.159 -0.103) 4.337 2.951 ( 13.212 -2.998 -0.307) 13.551 3.095 ( 6.862 -10.827 1.297) 12.884 3.250 ( 0.102 11.908 0.176) 11.910 3.387 ( -0.358 4.620 1.192) 4.784 3.435 ( -12.675 0.796 6.007) 14.049 3.489 ( -10.005 -4.261 1.257) 10.947 3.500 ( -6.667 -5.309 1.336) 8.627 3.565 ( -12.687 -5.338 4.541) 14.493 3.695 ( -4.929 7.222 0.941) 8.794 3.805 ( -7.967 -2.507 3.261) 8.966 3.918 ( 8.553 3.154 -1.592) 9.254 3.952 ( 10.907 -0.827 -2.199) 11.157 4.095 ( 5.961 3.972 -0.582) 7.187 4.159 ( 2.624 0.501 1.314) 2.977 4.266 ( -2.119 -3.138 -3.881) 5.422 4.276 ( -5.287 -1.947 -1.498) 5.830 4.450 ( 1.500 7.289 -1.663) 7.625 4.500 ( 7.740 1.079 4.424) 8.980 4.528 ( 2.057 1.685 -1.079) 2.870 4.578 ( 8.384 10.343 -3.839) 13.857 4.603 ( 4.359 -3.240 -1.788) 5.718 4.751 ( -1.204 -6.363 -0.884) 6.536 4.836 ( -0.681 6.465 -6.936) 9.506 4.890 ( 9.524 4.173 -2.951) 10.809 4.922 ( 3.905 2.233 -1.872) 4.872 4.993 ( 8.670 1.224 -1.231) 8.842 5.050 ( -0.717 -2.059 -2.751) 3.510 5.092 ( 9.374 -3.576 2.190) 10.269 5.225 ( 11.251 6.522 -0.863) 13.034 5.269 ( 6.070 2.917 0.972) 6.805 5.466 ( 10.325 2.294 6.239) 12.280 5.530 ( 8.159 -1.503 0.019) 8.296 5.574 ( -2.356 -4.492 7.578) 9.119 5.618 ( 3.748 -4.622 -0.645) 5.985 5.740 ( 3.237 4.914 -1.632) 6.107 5.802 ( -2.574 0.118 -0.254) 2.590 5.939 ( 0.602 4.009 -3.396) 5.289 5.975 ( -4.734 -0.957 -1.215) 4.980 6.008 ( -4.249 0.352 3.423) 5.468 6.076 ( 1.358 1.582 -0.120) 2.088 6.160 ( 15.930 -7.110 -2.730) 17.657 6.248 ( 3.073 -9.013 -0.814) 9.558 6.329 ( -1.877 -1.239 3.836) 4.446 6.426 ( -5.596 -9.408 5.223) 12.129 6.725 ( 2.166 5.612 0.168) 6.017 6.787 ( -2.201 -0.489 1.385) 2.646 6.868 ( -4.362 6.549 -4.310) 8.972 6.914 ( -5.427 6.074 4.801) 9.454 7.035 ( -3.590 -5.524 -6.934) 9.565 7.087 ( -5.378 -4.541 2.868) 7.601 7.244 ( -11.401 7.773 0.156) 13.800 7.373 ( -17.205 3.155 -0.913) 17.516 7.464 ( -2.725 -2.692 3.484) 5.178 7.549 ( -10.332 -3.080 -0.422) 10.790 7.650 ( -10.831 3.142 -6.779) 13.158 7.694 ( -10.355 1.970 3.700) 11.171 7.740 ( -4.472 -4.270 -4.931) 7.909 7.808 ( -11.899 -5.132 0.799) 12.983 8.183 ( 8.472 1.456 3.098) 9.138 8.184 ( 13.703 0.957 1.314) 13.799 8.241 ( 6.870 1.057 0.296) 6.957 8.338 ( 0.494 -6.915 -1.580) 7.111 8.443 ( 0.492 1.536 2.403) 2.894 8.468 ( 1.185 -1.135 3.682) 4.031 8.645 ( -2.899 6.687 0.539) 7.309 8.767 ( 2.610 3.291 3.474) 5.451 8.811 ( -0.247 -7.643 -1.749) 7.845 8.860 ( 0.104 -6.258 0.728) 6.301 8.981 ( 4.367 2.498 0.459) 5.051 9.024 ( 2.091 -1.655 3.485) 4.388 9.138 ( -1.642 0.074 4.046) 4.367 9.169 ( -0.457 -2.507 2.175) 3.350 9.310 ( -4.178 3.221 2.454) 5.818 9.355 ( -3.986 -1.226 2.731) 4.985 9.580 ( -3.328 6.146 -4.171) 8.139 9.641 ( -1.972 -0.438 -7.389) 7.660 9.810 ( -4.907 1.679 -2.176) 5.625 9.846 ( -2.646 3.880 -4.882) 6.774 9.936 ( -3.821 -1.384 1.988) 4.524 9.962 ( -5.691 1.564 2.274) 6.325 9.981 ( -3.792 2.137 0.430) 4.374 10.044 ( -4.814 -2.616 0.253) 5.485 10.084 ( -3.008 -0.012 -0.332) 3.027 10.195 ( 2.756 -7.365 -1.068) 7.936 10.342 ( 1.677 6.030 -0.358) 6.269 10.425 ( -0.498 -1.720 3.638) 4.055 10.476 ( -4.443 7.062 -3.065) 8.888 10.542 ( -5.528 1.824 -2.984) 6.541 10.655 ( 1.393 7.577 2.387) 8.065 10.684 ( 2.403 2.883 3.538) 5.158 10.775 ( 1.369 2.947 5.062) 6.015 10.824 ( -1.677 1.643 3.181) 3.954 10.960 ( 0.812 -3.899 -3.407) 5.241 10.975 ( 0.398 -4.352 0.729) 4.431 11.117 ( -2.657 -1.201 1.195) 3.152 11.174 ( -2.382 -5.267 2.114) 6.155 11.238 ( -0.354 3.701 -2.821) 4.666 11.320 ( 3.782 -3.018 0.845) 4.912 11.489 ( -3.941 5.586 -0.682) 6.870 11.595 ( -3.080 5.570 -4.055) 7.547 11.655 ( 0.911 -9.044 -0.850) 9.129 11.724 ( -3.865 -6.253 -3.396) 8.097 11.795 ( -3.165 2.099 -3.895) 5.440 11.836 ( 1.319 -2.338 0.134) 2.687 12.094 ( 7.122 4.604 3.169) 9.053 12.224 ( 14.757 -3.117 1.754) 15.184 12.301 ( 3.527 -1.593 3.525) 5.235 12.364 ( 4.401 -2.416 -0.595) 5.055 12.483 ( 7.193 -2.540 -1.028) 7.697 12.545 ( 4.232 -5.813 -0.828) 7.238 12.652 ( 7.077 4.173 -3.980) 9.129 12.750 ( 6.586 -2.271 -0.910) 7.026 12.766 ( 5.014 -3.995 4.439) 7.797 12.815 ( 12.541 -4.807 -1.542) 13.518 12.923 ( 2.956 5.231 -1.810) 6.275 13.009 ( 2.679 -3.223 3.636) 5.548 13.065 ( 4.426 2.286 1.930) 5.342 13.139 ( 5.855 -4.935 -1.300) 7.767 13.534 ( 5.583 8.377 -4.335) 10.960 13.570 ( 8.023 5.530 -1.136) 9.810 13.865 ( -3.290 1.910 1.398) 4.053 13.965 ( -3.395 -7.374 -5.481) 9.795 14.099 ( 0.254 -0.012 0.382) 0.459 14.171 ( 1.319 -7.270 -1.434) 7.527 14.262 ( -2.010 5.247 -5.031) 7.542 14.388 ( -0.191 -6.213 0.182) 6.219 14.707 ( 8.983 6.045 -4.696) 11.802 14.828 ( 5.492 -6.225 -0.044) 8.301 15.026 ( 10.347 4.201 5.998) 12.677 15.064 ( 11.207 0.107 4.787) 12.187 15.301 ( -12.943 8.231 -6.024) 16.479 15.426 ( -11.569 -4.192 -4.557) 13.122 15.708 ( -3.054 7.693 2.794) 8.736 15.791 ( -4.273 -0.042 4.007) 5.858 16.156 ( -2.014 1.033 9.809) 10.067 16.217 ( -4.129 -4.508 7.318) 9.536 16.364 ( 0.528 3.635 -4.513) 5.819 16.472 ( -0.077 -7.275 -6.462) 9.731 17.363 ( -6.449 0.242 -0.285) 6.460 17.377 ( -5.988 -0.802 -1.094) 6.140 17.485 ( -7.733 0.224 -0.181) 7.738 17.501 ( -7.437 -1.037 0.036) 7.509 20.798 ( 2.173 2.189 -0.301) 3.099 20.837 ( 2.348 -1.406 -0.519) 2.786 21.077 ( 3.707 -0.074 4.214) 5.613 21.129 ( 5.075 -4.731 2.178) 7.272 21.950 ( -0.156 4.453 4.260) 6.164 22.006 ( 0.512 -0.472 0.334) 0.773 22.255 ( 3.594 2.841 -0.261) 4.589 22.333 ( 4.422 -4.104 -4.421) 7.480 22.538 ( -0.501 6.520 0.497) 6.558 22.593 ( -0.516 1.946 2.314) 3.067 22.889 ( -1.239 6.544 -3.909) 7.722 23.003 ( 0.696 -2.713 -1.470) 3.163 23.201 ( -0.991 5.379 -1.673) 5.720 23.342 ( 3.187 -6.674 0.725) 7.431 23.567 ( -2.864 4.336 0.375) 5.210 23.719 ( -0.400 -8.657 -0.750) 8.698 23.789 ( -1.007 4.496 -2.714) 5.347 23.909 ( -1.927 -8.797 0.734) 9.035 24.186 ( 1.371 0.399 0.003) 1.428 24.209 ( -0.136 -1.857 2.133) 2.831 24.653 ( -1.117 2.643 -1.256) 3.132 24.705 ( -1.256 -2.590 1.027) 3.056 25.602 ( -19.394 5.524 -2.322) 20.299 25.648 ( -20.477 0.961 0.268) 20.501 26.570 ( 2.974 0.973 0.026) 3.129 26.573 ( 3.229 0.547 0.257) 3.285 26.653 ( 5.428 -1.518 -0.369) 5.648 26.667 ( 4.032 -2.755 0.301) 4.893 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 8.384 6.302 3.790) 11.152 2.135 ( 3.723 -5.976 -1.000) 7.112 2.259 ( 6.400 7.589 6.364) 11.792 2.393 ( 2.872 -3.503 8.979) 10.057 2.516 ( 1.415 9.671 -7.451) 12.290 2.651 ( 2.019 -1.890 -2.522) 3.743 2.708 ( -1.535 -2.285 0.199) 2.760 2.768 ( -2.974 -6.958 -3.992) 8.555 2.940 ( 17.502 4.354 -6.097) 19.038 3.001 ( 10.372 -3.347 -2.322) 11.144 3.082 ( -8.806 6.274 3.979) 11.521 3.183 ( -14.517 2.789 8.337) 16.972 3.273 ( -0.680 -0.458 -0.090) 0.825 3.295 ( -10.830 -0.208 5.583) 12.186 3.391 ( 0.652 -7.390 -0.515) 7.436 3.399 ( 14.683 -0.709 5.351) 15.644 3.437 ( 0.539 -5.690 0.458) 5.734 3.481 ( 8.212 -5.348 9.547) 13.681 3.708 ( 2.613 3.134 5.772) 7.069 3.750 ( -0.205 -0.923 5.449) 5.530 3.964 ( -5.595 0.135 -1.390) 5.766 3.984 ( -5.665 -0.938 -2.901) 6.433 4.044 ( 0.204 3.071 -8.216) 8.774 4.105 ( -4.456 -3.501 -9.158) 10.769 4.274 ( -0.311 4.613 4.259) 6.286 4.360 ( 2.164 -1.161 2.954) 3.842 4.392 ( 0.340 1.664 -4.198) 4.528 4.453 ( -2.091 -3.114 -3.777) 5.323 4.588 ( -2.326 2.654 -5.445) 6.488 4.632 ( -0.258 -1.593 -5.039) 5.291 4.695 ( 5.507 4.589 2.654) 7.644 4.765 ( 2.305 -1.638 2.537) 3.798 4.840 ( 1.537 4.685 0.141) 4.933 4.943 ( -4.226 -2.280 -1.797) 5.127 4.992 ( 5.251 4.837 -6.930) 9.949 5.040 ( 2.511 0.415 -2.311) 3.437 5.112 ( 4.118 9.688 -0.231) 10.530 5.241 ( -2.760 0.782 -2.792) 4.003 5.293 ( 7.221 -2.083 -2.225) 7.838 5.335 ( -1.165 -0.855 -4.132) 4.378 5.605 ( -0.124 4.299 5.646) 7.097 5.626 ( 4.660 2.321 4.586) 6.938 5.671 ( 3.645 4.583 0.292) 5.863 5.716 ( 0.471 7.891 3.253) 8.548 5.789 ( 2.538 -1.792 1.418) 3.415 5.873 ( 7.715 -8.851 5.331) 12.895 5.942 ( -0.904 0.308 0.512) 1.084 6.037 ( 2.588 -2.384 -0.906) 3.634 6.050 ( 8.271 -0.775 -0.625) 8.331 6.095 ( 5.687 -3.201 1.052) 6.610 6.222 ( -1.927 6.611 4.328) 8.133 6.350 ( 6.084 -5.636 2.041) 8.540 6.448 ( 2.980 -2.605 0.508) 3.990 6.488 ( 13.546 -5.181 -3.349) 14.884 6.636 ( -6.612 6.409 -5.432) 10.691 6.702 ( -7.071 -2.143 -2.501) 7.800 6.815 ( -3.644 5.437 0.057) 6.546 6.877 ( -4.516 0.926 1.650) 4.896 6.913 ( -4.674 8.397 2.053) 9.827 6.987 ( -7.080 1.927 1.824) 7.561 7.000 ( -1.400 0.814 0.930) 1.868 7.158 ( -3.636 -4.782 -2.857) 6.652 7.194 ( -16.902 6.452 -3.324) 18.395 7.365 ( -10.405 -9.531 -4.651) 14.858 7.490 ( -5.564 2.089 4.093) 7.216 7.550 ( 0.890 -1.736 -2.485) 3.160 7.634 ( -4.046 -2.012 0.706) 4.573 7.691 ( -1.049 -5.797 -3.654) 6.932 8.256 ( 2.606 -0.362 2.271) 3.476 8.293 ( 0.027 -3.281 2.241) 3.974 8.414 ( 3.747 -2.672 -0.981) 4.706 8.421 ( 3.709 -2.881 -0.389) 4.712 8.593 ( 2.803 5.032 6.718) 8.849 8.615 ( 9.756 0.847 3.012) 10.246 8.644 ( 5.918 2.389 5.221) 8.245 8.769 ( -3.130 -6.538 2.749) 7.752 8.813 ( 1.069 0.176 0.367) 1.144 8.851 ( -0.426 -3.320 0.211) 3.353 9.003 ( -4.879 2.958 3.897) 6.909 9.062 ( -3.444 -2.770 4.738) 6.480 9.134 ( 1.131 2.202 1.846) 3.088 9.184 ( 1.259 -2.223 -0.485) 2.600 9.252 ( -2.793 3.859 -1.751) 5.075 9.313 ( 1.375 -2.173 -3.846) 4.626 9.484 ( -3.498 3.770 -0.326) 5.153 9.538 ( -3.954 -1.413 -3.513) 5.475 9.686 ( -3.562 3.346 -0.866) 4.963 9.768 ( -1.775 -3.635 -0.719) 4.109 9.853 ( -3.793 5.425 -0.759) 6.663 9.892 ( -1.369 5.589 -3.497) 6.733 9.918 ( -2.898 -2.083 1.856) 4.023 10.016 ( 0.620 -6.110 -2.175) 6.516 10.110 ( 2.704 5.418 3.965) 7.238 10.265 ( 0.919 -9.049 -1.279) 9.185 10.346 ( 1.152 2.993 -2.337) 3.968 10.383 ( -1.198 -0.515 0.250) 1.328 10.420 ( 0.998 5.206 -0.394) 5.315 10.492 ( -0.156 -1.282 0.239) 1.313 10.656 ( -4.610 8.164 1.010) 9.430 10.718 ( 0.024 3.843 -1.711) 4.207 10.797 ( 0.681 2.636 1.416) 3.069 10.847 ( -0.606 -1.590 2.438) 2.973 10.933 ( -0.326 -0.989 -1.094) 1.511 10.995 ( -1.496 -2.911 3.056) 4.478 11.115 ( 4.086 1.309 1.234) 4.464 11.179 ( 1.851 -3.011 0.327) 3.550 11.245 ( 1.735 4.472 0.909) 4.882 11.359 ( 1.007 -6.825 1.098) 6.986 11.391 ( -5.472 7.266 -2.846) 9.531 11.518 ( -2.913 -1.754 -2.235) 4.069 11.585 ( -4.537 -2.687 -1.649) 5.525 11.641 ( -2.799 -3.658 -2.148) 5.082 11.795 ( 4.510 3.924 -1.033) 6.067 11.876 ( 1.255 -1.607 -1.400) 2.474 12.138 ( -0.088 -0.680 1.973) 2.088 12.272 ( -3.962 -11.023 -2.033) 11.889 12.451 ( 5.386 4.846 5.183) 8.908 12.549 ( 5.507 -0.195 7.600) 9.387 12.586 ( 2.145 -4.398 -0.930) 4.981 12.655 ( 6.880 -6.379 3.686) 10.080 12.718 ( 2.801 2.207 -3.154) 4.760 12.761 ( 1.213 -3.271 -6.731) 7.582 12.886 ( 0.061 -0.319 -0.730) 0.799 12.932 ( -1.173 -4.708 -2.403) 5.414 12.978 ( 3.068 6.455 1.847) 7.382 13.093 ( 4.896 -4.714 0.850) 6.849 13.128 ( 2.718 4.921 -3.579) 6.664 13.202 ( 0.630 -1.829 -0.616) 2.030 13.645 ( 5.288 9.683 2.152) 11.241 13.748 ( 9.104 5.571 0.163) 10.675 13.843 ( 0.875 2.313 -3.759) 4.500 13.904 ( -0.815 -6.090 -0.357) 6.155 14.097 ( -1.285 -0.207 -2.207) 2.562 14.122 ( -0.568 -2.584 -5.970) 6.530 14.317 ( 7.427 -0.256 1.959) 7.685 14.422 ( 0.603 -6.424 2.967) 7.102 14.812 ( 2.932 0.016 -3.792) 4.793 14.835 ( -1.481 -1.861 -1.721) 2.936 15.008 ( -9.516 6.528 -3.082) 11.945 15.131 ( -11.902 -5.408 -5.295) 14.104 15.279 ( 6.945 2.943 4.572) 8.820 15.311 ( 9.394 0.042 2.029) 9.611 15.666 ( -1.715 5.536 1.262) 5.931 15.713 ( -4.661 0.894 1.202) 4.895 16.172 ( -3.958 -0.051 12.743) 13.344 16.198 ( -3.357 -2.312 9.948) 10.751 16.358 ( 2.340 2.635 -6.725) 7.593 16.432 ( 1.206 -4.919 -8.683) 10.052 17.260 ( -4.757 0.946 2.215) 5.332 17.281 ( -2.066 -0.891 -1.666) 2.800 17.374 ( -2.785 -0.425 -0.323) 2.836 17.389 ( -2.476 -1.590 -1.491) 3.298 20.845 ( 2.008 2.070 0.711) 2.971 20.874 ( 1.272 -0.426 -0.498) 1.431 21.160 ( 1.483 -1.346 4.864) 5.260 21.214 ( 2.294 -6.240 0.887) 6.707 21.985 ( 0.424 4.447 4.533) 6.365 22.031 ( 1.358 0.270 0.722) 1.562 22.285 ( -0.113 0.959 -1.189) 1.531 22.335 ( -0.307 -3.315 -5.438) 6.376 22.579 ( 2.693 6.399 3.833) 7.930 22.634 ( 2.164 2.676 4.139) 5.383 22.828 ( -1.572 4.339 -4.540) 6.474 22.954 ( -2.276 -6.307 -7.796) 10.283 23.223 ( 2.346 11.041 4.041) 11.989 23.425 ( -0.806 -5.953 1.299) 6.146 23.475 ( -1.027 3.879 -1.593) 4.317 23.623 ( -4.518 -6.731 -3.575) 8.861 23.831 ( 3.354 0.162 0.474) 3.391 23.887 ( 0.459 -4.660 -1.396) 4.886 24.168 ( -2.720 -0.948 1.116) 3.089 24.193 ( -0.814 -2.998 -1.656) 3.521 24.733 ( 6.890 4.352 1.506) 8.287 24.775 ( 4.507 0.189 1.902) 4.896 25.248 ( -11.966 3.275 -2.295) 12.617 25.274 ( -15.291 0.797 -0.113) 15.312 26.614 ( 1.038 0.599 0.557) 1.322 26.620 ( 1.404 0.247 -0.147) 1.433 26.719 ( 1.030 -1.155 1.038) 1.863 26.732 ( 2.724 -2.268 -1.388) 3.807 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -5.902 -0.189 0.923) 5.977 2.101 ( -6.043 -2.726 -0.442) 6.644 2.349 ( -7.559 11.592 0.313) 13.842 2.391 ( -1.863 9.024 0.953) 9.263 2.497 ( -0.358 -1.257 7.560) 7.672 2.591 ( -4.651 -5.602 -4.762) 8.700 2.679 ( -7.117 -3.337 3.617) 8.652 2.718 ( 2.069 -2.577 1.306) 3.553 2.837 ( -8.480 2.691 2.885) 9.353 2.927 ( -10.055 -7.087 3.246) 12.722 3.114 ( -4.839 8.925 1.483) 10.261 3.283 ( 4.153 -2.123 -0.122) 4.665 3.312 ( 13.599 0.805 -3.858) 14.159 3.343 ( 13.137 -4.487 -0.979) 13.916 3.415 ( 2.689 -1.519 -1.370) 3.378 3.450 ( 8.065 -6.100 -4.923) 11.246 3.575 ( -7.286 4.790 -6.393) 10.812 3.651 ( -3.360 -2.520 -5.766) 7.133 3.791 ( -3.448 0.038 -1.501) 3.760 3.801 ( -1.136 0.168 7.600) 7.686 3.823 ( -0.741 0.839 4.008) 4.162 3.891 ( 4.704 -4.763 9.645) 11.741 3.984 ( 4.494 4.994 -6.523) 9.364 4.083 ( 6.411 -3.218 -7.260) 10.206 4.271 ( -3.621 -0.814 5.930) 6.995 4.315 ( -5.435 -3.621 5.381) 8.462 4.383 ( -0.035 2.506 -2.940) 3.863 4.430 ( -0.411 -1.061 0.065) 1.140 4.531 ( -2.980 1.893 -1.809) 3.967 4.538 ( -3.338 0.863 0.903) 3.564 4.711 ( -8.068 8.264 2.211) 11.759 4.774 ( -5.290 5.159 1.926) 7.636 4.796 ( -2.952 4.675 0.710) 5.574 4.866 ( -1.410 -0.554 4.244) 4.506 4.988 ( -3.423 -2.523 -3.350) 5.413 5.040 ( -0.265 -1.330 -1.835) 2.282 5.147 ( -2.568 -0.252 -3.075) 4.014 5.174 ( 2.484 6.321 2.583) 7.266 5.277 ( -5.812 -0.604 -0.686) 5.884 5.389 ( 1.699 -1.800 -6.677) 7.121 5.539 ( -4.117 4.465 7.691) 9.800 5.619 ( -4.377 -1.203 3.459) 5.707 5.698 ( -3.504 9.674 -0.994) 10.337 5.748 ( -0.880 2.892 -0.609) 3.083 5.837 ( -2.386 -0.398 -0.914) 2.586 5.908 ( -2.650 -8.591 6.402) 11.037 5.975 ( 1.749 -3.199 -2.461) 4.398 6.030 ( 1.153 -1.272 -3.826) 4.194 6.100 ( -2.718 0.192 -2.705) 3.840 6.173 ( -2.679 -3.496 -5.811) 7.292 6.323 ( 4.627 5.576 -3.728) 8.149 6.418 ( 4.583 -3.055 -1.961) 5.847 6.436 ( -9.848 1.452 -2.879) 10.363 6.488 ( -2.148 3.006 -1.739) 4.084 6.568 ( 0.703 0.193 -1.904) 2.039 6.661 ( 6.532 -3.356 0.276) 7.349 6.834 ( 6.483 4.178 4.169) 8.767 6.904 ( 2.143 0.970 -2.532) 3.457 6.916 ( 4.283 9.533 3.895) 11.154 6.968 ( 2.478 4.738 -1.760) 5.629 7.002 ( 4.203 -1.727 3.190) 5.552 7.115 ( 5.342 -0.834 -1.808) 5.701 7.158 ( 7.165 -3.224 6.950) 10.489 7.268 ( 7.446 -6.543 -1.888) 10.091 7.456 ( -2.402 4.039 5.340) 7.113 7.569 ( 2.375 -3.172 -1.989) 4.434 7.639 ( 4.047 -1.775 0.052) 4.420 7.705 ( 5.145 -4.027 -4.463) 7.912 8.269 ( -2.780 -1.096 0.784) 3.089 8.301 ( 0.274 -4.237 1.847) 4.630 8.412 ( -3.714 -0.658 -1.061) 3.918 8.445 ( -1.247 -3.612 -2.273) 4.446 8.595 ( -5.034 3.988 3.549) 7.338 8.661 ( -7.463 -0.230 1.239) 7.569 8.698 ( -0.691 0.273 -3.443) 3.523 8.783 ( 1.892 -3.695 2.641) 4.920 8.861 ( -3.430 0.272 -0.485) 3.474 8.871 ( 0.271 0.179 -1.739) 1.769 8.971 ( 2.096 0.546 10.602) 10.821 9.008 ( -0.091 -3.285 8.261) 8.891 9.120 ( -2.380 3.756 -2.228) 4.973 9.190 ( -0.516 -3.185 4.285) 5.364 9.280 ( 7.272 1.875 -7.144) 10.365 9.318 ( 2.460 -1.797 -7.192) 7.811 9.474 ( 2.119 2.212 3.360) 4.547 9.510 ( 1.878 -0.509 -0.720) 2.075 9.714 ( -1.385 5.268 -1.015) 5.541 9.728 ( 4.884 2.818 2.772) 6.284 9.821 ( -1.277 1.800 -2.524) 3.352 9.885 ( 4.310 0.374 -0.150) 4.329 9.900 ( -1.113 -0.142 4.509) 4.647 10.023 ( 3.795 -6.289 -5.492) 9.171 10.179 ( -0.837 1.921 1.587) 2.628 10.232 ( -0.886 -1.706 -2.007) 2.779 10.340 ( -2.074 1.408 0.247) 2.519 10.394 ( 2.440 1.144 0.329) 2.715 10.437 ( -3.651 1.004 0.686) 3.849 10.448 ( -0.387 -2.256 0.858) 2.444 10.647 ( 1.570 7.745 2.014) 8.155 10.700 ( 2.878 2.970 -2.285) 4.725 10.791 ( -0.789 3.683 0.920) 3.878 10.881 ( 3.656 -6.019 -1.274) 7.156 10.963 ( -1.649 2.486 -1.359) 3.278 10.988 ( 2.757 1.275 4.774) 5.659 11.138 ( -5.771 1.216 -0.259) 5.903 11.186 ( 1.218 -2.282 -1.295) 2.892 11.303 ( 0.315 3.432 -4.621) 5.764 11.328 ( 4.661 7.010 2.024) 8.658 11.415 ( -2.905 -7.586 -3.420) 8.814 11.440 ( 4.578 -3.664 3.675) 6.921 11.567 ( -2.412 -3.510 0.828) 4.338 11.581 ( 0.290 -4.421 3.752) 5.806 11.846 ( -0.346 6.588 -6.935) 9.571 11.895 ( 5.149 2.729 -2.080) 6.188 12.151 ( -3.562 -5.272 3.348) 7.190 12.200 ( -0.153 -9.435 2.076) 9.662 12.512 ( -1.844 1.476 3.960) 4.611 12.557 ( -2.977 -2.286 -3.779) 5.326 12.628 ( -1.639 1.102 6.339) 6.639 12.661 ( -4.801 -1.975 -1.512) 5.407 12.718 ( -10.386 0.785 -0.825) 10.449 12.750 ( -9.480 -2.439 -3.488) 10.392 12.805 ( 1.627 -2.512 5.355) 6.134 12.826 ( -0.766 -4.602 -0.309) 4.676 13.047 ( 1.613 6.839 2.511) 7.462 13.119 ( 0.165 -0.885 -7.360) 7.415 13.169 ( 0.419 -1.300 -3.792) 4.030 13.202 ( 2.135 -4.182 -0.162) 4.699 13.660 ( -6.133 9.916 0.662) 11.678 13.802 ( -5.492 1.826 -6.545) 8.737 13.850 ( 3.753 3.857 -3.553) 6.449 13.920 ( 3.075 1.442 -2.250) 4.073 14.049 ( 0.473 0.789 1.097) 1.431 14.142 ( 4.321 -5.574 -5.260) 8.798 14.315 ( -9.789 3.413 1.327) 10.452 14.482 ( 1.603 -10.257 -2.792) 10.750 14.735 ( -5.454 2.573 2.842) 6.667 14.818 ( 0.228 -4.516 0.267) 4.530 14.952 ( 0.399 3.205 2.577) 4.132 15.051 ( 9.577 -5.009 2.800) 11.165 15.312 ( -6.079 3.710 0.805) 7.167 15.359 ( -5.178 -0.892 -2.235) 5.710 15.690 ( 3.358 4.871 -1.336) 6.066 15.721 ( 6.228 1.945 -0.151) 6.526 16.184 ( -3.133 -0.047 12.633) 13.016 16.216 ( -1.803 -2.873 12.162) 12.626 16.357 ( 2.024 1.932 -7.426) 7.936 16.406 ( 2.289 -3.075 -9.682) 10.413 17.216 ( -0.854 2.101 3.384) 4.074 17.271 ( 0.687 -3.474 1.463) 3.831 17.388 ( 5.578 1.032 -2.492) 6.196 17.416 ( 5.785 -1.750 -2.413) 6.508 20.862 ( -1.250 1.611 -0.487) 2.097 20.872 ( -0.475 0.854 -0.709) 1.207 21.191 ( -1.241 -2.794 3.461) 4.618 21.225 ( -1.045 -6.393 -1.287) 6.605 22.001 ( -1.993 4.807 3.747) 6.413 22.045 ( -0.475 0.741 -0.541) 1.034 22.261 ( -1.701 -0.493 1.176) 2.126 22.293 ( -0.967 -3.205 -2.328) 4.078 22.649 ( -0.330 7.951 -1.470) 8.092 22.672 ( 2.667 6.273 -0.304) 6.823 22.824 ( 0.660 -3.186 2.246) 3.954 22.841 ( -2.181 -4.762 -4.454) 6.876 23.244 ( -5.363 7.540 3.660) 9.951 23.384 ( 0.036 -0.186 3.411) 3.417 23.469 ( 0.624 3.710 -0.977) 3.887 23.624 ( 5.221 -6.721 -3.510) 9.206 23.854 ( -0.666 2.299 -2.822) 3.700 23.920 ( 4.391 -4.151 -3.850) 7.165 24.157 ( 1.089 -0.654 2.037) 2.400 24.205 ( 4.153 -5.558 -2.063) 7.238 24.692 ( -11.293 5.602 4.782) 13.482 24.763 ( -8.926 -1.685 3.554) 9.754 25.216 ( 12.196 6.969 0.175) 14.048 25.303 ( 15.416 -2.098 -2.311) 15.728 26.611 ( -1.744 0.796 0.561) 1.997 26.623 ( -1.063 -0.246 -0.080) 1.094 26.711 ( -2.322 -0.004 0.646) 2.410 26.745 ( -0.453 -3.190 -1.508) 3.557 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -19.252 10.425 -2.981) 22.095 1.923 ( -13.038 -4.351 2.640) 13.996 2.116 ( -10.876 12.670 2.731) 16.920 2.340 ( -10.930 -0.168 -2.264) 11.164 2.459 ( -0.462 6.871 1.691) 7.092 2.503 ( -5.918 -1.415 5.574) 8.252 2.609 ( -0.919 -5.386 -1.140) 5.582 2.721 ( -5.136 -12.875 6.343) 15.244 2.808 ( 1.352 1.046 -0.787) 1.882 2.844 ( -2.396 -7.161 -0.812) 7.595 3.050 ( -2.848 5.433 -2.806) 6.746 3.159 ( -8.259 -1.408 -5.210) 9.866 3.300 ( -5.948 4.025 -5.920) 9.307 3.401 ( -2.070 -3.458 -0.209) 4.036 3.450 ( -0.074 -0.989 1.828) 2.080 3.469 ( -1.213 -1.211 0.984) 1.976 3.625 ( 2.461 5.640 -1.766) 6.401 3.687 ( 12.717 -1.585 -4.429) 13.560 3.750 ( 6.102 6.135 -4.511) 9.759 3.808 ( -6.558 2.144 7.608) 10.270 3.836 ( 1.069 1.807 0.650) 2.197 3.917 ( -3.508 -2.416 -0.299) 4.270 4.118 ( -5.089 3.445 -2.191) 6.524 4.144 ( 8.828 -0.679 -3.189) 9.411 4.196 ( 1.772 -3.632 1.037) 4.172 4.258 ( -4.483 -4.523 2.907) 7.000 4.403 ( -0.488 5.901 6.145) 8.534 4.411 ( -4.918 4.811 4.315) 8.121 4.487 ( -3.503 5.579 4.987) 8.262 4.550 ( -5.674 2.119 3.917) 7.213 4.556 ( 1.106 -1.277 -0.975) 1.951 4.691 ( -2.610 8.948 2.201) 9.577 4.737 ( -5.199 -8.402 2.283) 10.141 4.831 ( -2.951 0.946 3.459) 4.644 4.925 ( -4.572 -5.699 -3.375) 8.048 4.943 ( -3.707 -12.705 1.939) 13.376 5.066 ( -2.408 7.785 -4.111) 9.127 5.183 ( -4.153 -4.069 -2.212) 6.221 5.229 ( -1.152 2.878 4.552) 5.507 5.276 ( -4.931 0.787 -7.555) 9.056 5.451 ( -9.160 7.528 3.830) 12.459 5.539 ( -7.540 0.210 -0.224) 7.547 5.640 ( -3.566 0.939 1.174) 3.870 5.705 ( -7.696 -2.761 -1.954) 8.407 5.719 ( -3.443 2.795 -0.267) 4.443 5.810 ( -2.124 -1.269 1.206) 2.753 5.909 ( -5.564 2.400 2.074) 6.405 5.964 ( -0.211 -1.281 -2.231) 2.581 6.084 ( 1.408 0.195 -4.780) 4.987 6.138 ( 5.631 -5.109 -7.114) 10.413 6.195 ( -8.580 5.963 -4.266) 11.286 6.326 ( -1.850 -4.246 -7.824) 9.092 6.449 ( 0.452 -0.900 -5.351) 5.445 6.555 ( 3.267 -2.855 -4.552) 6.288 6.621 ( 5.997 1.725 4.636) 7.774 6.715 ( -1.300 -1.281 3.677) 4.105 6.865 ( 0.194 -1.469 -2.126) 2.592 6.934 ( 4.092 -6.561 -0.437) 7.745 7.050 ( 8.744 8.066 -3.973) 12.542 7.160 ( 10.861 -1.941 -3.238) 11.498 7.236 ( 12.569 3.262 1.051) 13.028 7.293 ( 14.306 -1.857 7.147) 16.099 7.459 ( 0.169 7.462 3.205) 8.123 7.470 ( 15.328 4.679 9.163) 18.461 7.550 ( 12.433 -2.014 6.371) 14.115 7.628 ( 4.313 -6.838 0.713) 8.116 7.734 ( 6.782 2.518 -0.432) 7.248 7.827 ( 9.164 -4.743 -1.993) 10.509 8.221 ( -7.177 1.514 -1.151) 7.425 8.238 ( -8.136 1.610 -1.800) 8.487 8.290 ( -9.931 -1.393 -5.858) 11.614 8.314 ( -0.930 -6.810 0.550) 6.895 8.477 ( -4.406 2.813 -0.059) 5.228 8.537 ( -4.218 -3.833 -1.132) 5.811 8.639 ( -1.572 5.219 0.343) 5.462 8.769 ( -4.064 -3.663 -1.110) 5.583 8.831 ( 0.170 -2.701 2.117) 3.436 8.856 ( -1.629 -2.973 1.574) 3.738 8.964 ( -2.606 4.430 0.913) 5.220 9.039 ( -3.537 -2.715 0.645) 4.506 9.167 ( 4.003 3.233 -2.162) 5.581 9.232 ( 3.553 -2.980 -2.875) 5.457 9.370 ( 5.670 0.817 2.947) 6.442 9.385 ( 3.930 -0.853 0.668) 4.077 9.515 ( -0.934 4.862 1.376) 5.138 9.561 ( 4.027 0.870 -1.693) 4.454 9.734 ( 0.964 4.353 5.387) 6.993 9.777 ( 2.177 -1.351 0.196) 2.570 9.908 ( 6.044 2.749 4.522) 8.033 9.944 ( 4.581 4.881 0.600) 6.721 10.004 ( 6.307 -4.692 2.580) 8.273 10.070 ( 1.234 -3.996 -4.903) 6.445 10.127 ( 4.980 -1.796 -3.941) 6.600 10.195 ( -4.245 -5.914 -1.641) 7.462 10.314 ( -0.136 8.166 2.896) 8.665 10.415 ( -0.880 -1.460 4.389) 4.709 10.479 ( 7.701 3.613 0.440) 8.517 10.501 ( 3.513 1.779 -1.337) 4.159 10.691 ( 2.748 6.121 -0.601) 6.737 10.730 ( 1.007 4.875 -2.147) 5.421 10.806 ( -1.199 5.912 4.439) 7.490 10.880 ( -2.447 4.852 -4.333) 6.950 10.931 ( 0.454 -4.586 -0.822) 4.682 11.028 ( -1.467 -6.167 -4.495) 7.771 11.100 ( 2.846 1.860 3.416) 4.819 11.188 ( 0.940 -4.729 0.364) 4.836 11.289 ( 0.984 -0.799 -6.512) 6.634 11.352 ( -2.343 -5.407 -2.949) 6.590 11.434 ( 2.514 5.862 4.735) 7.943 11.486 ( -1.273 5.266 6.894) 8.768 11.592 ( 2.947 -7.266 3.314) 8.512 11.647 ( 2.068 -8.996 4.270) 10.170 11.818 ( 2.659 5.772 -7.012) 9.463 11.915 ( 0.066 -2.601 -6.961) 7.432 12.099 ( -4.422 3.013 3.069) 6.169 12.189 ( -7.281 -2.551 3.909) 8.649 12.368 ( -11.635 0.887 -3.179) 12.094 12.420 ( -11.762 -3.587 -4.283) 13.021 12.464 ( -6.666 0.728 2.141) 7.039 12.525 ( -3.721 -6.752 0.997) 7.773 12.600 ( -6.031 -0.879 -0.345) 6.105 12.617 ( -6.801 -2.429 7.706) 10.561 12.789 ( -5.167 1.032 3.379) 6.260 12.828 ( -1.518 -2.479 0.809) 3.017 12.972 ( -6.677 2.023 -6.329) 9.419 13.082 ( -5.574 -7.607 -3.795) 10.166 13.143 ( 3.048 3.409 -3.673) 5.866 13.195 ( -1.544 -1.104 -5.963) 6.257 13.497 ( -7.682 7.387 -1.611) 10.779 13.591 ( -9.583 0.659 -5.106) 10.879 13.890 ( 0.042 3.519 -2.432) 4.278 13.918 ( 4.006 1.070 -1.319) 4.351 14.145 ( -3.150 5.956 3.448) 7.569 14.153 ( 5.835 -0.455 -1.755) 6.110 14.201 ( 0.423 -6.837 -2.088) 7.161 14.367 ( -6.978 -13.389 3.225) 15.439 14.656 ( -4.604 7.199 -0.628) 8.569 14.806 ( -4.351 -7.461 1.258) 8.729 15.077 ( -3.599 8.139 5.466) 10.443 15.145 ( -9.885 1.020 -5.393) 11.307 15.224 ( 5.149 2.813 -1.177) 5.984 15.311 ( 12.162 -5.967 6.919) 15.212 15.757 ( 3.542 7.620 -2.043) 8.648 15.833 ( 4.544 -0.150 -0.585) 4.584 16.201 ( -2.734 1.742 8.574) 9.167 16.276 ( -0.844 -5.927 10.099) 11.740 16.342 ( 1.750 2.753 -5.946) 6.782 16.408 ( 3.809 -3.741 -6.817) 8.659 17.282 ( 4.627 1.999 4.527) 6.775 17.340 ( 4.915 -3.982 3.075) 7.033 17.524 ( 9.235 1.376 -3.527) 9.981 17.549 ( 8.798 -1.119 -2.912) 9.335 20.810 ( -2.618 2.351 -1.449) 3.806 20.842 ( -2.053 -0.496 -0.808) 2.261 21.152 ( -3.990 -3.135 0.103) 5.075 21.156 ( -4.420 -4.484 -2.950) 6.953 21.971 ( -2.631 4.994 3.478) 6.630 22.016 ( -0.931 0.859 -1.885) 2.271 22.230 ( -3.846 -0.801 4.091) 5.672 22.258 ( -2.090 -3.432 0.168) 4.021 22.583 ( -2.112 7.403 -4.039) 8.693 22.682 ( -1.056 -0.766 -6.685) 6.811 22.802 ( 2.189 5.457 4.411) 7.350 22.929 ( 3.460 -5.268 5.076) 8.093 23.181 ( -1.880 6.330 1.549) 6.782 23.324 ( -4.699 -7.461 3.263) 9.402 23.583 ( 4.909 7.191 -1.419) 8.822 23.670 ( 1.440 -2.045 -0.151) 2.506 23.822 ( 1.395 5.923 -4.654) 7.661 23.977 ( 3.793 -8.681 -4.337) 10.419 24.201 ( 1.030 1.421 -0.821) 1.937 24.276 ( 2.301 -5.294 -4.319) 7.209 24.568 ( -2.318 5.584 6.978) 9.233 24.668 ( 0.381 -4.919 4.643) 6.775 25.552 ( 18.556 8.796 2.178) 20.651 25.655 ( 19.482 -1.830 -0.377) 19.571 26.561 ( -3.506 1.145 0.563) 3.731 26.581 ( -3.041 -0.662 -0.018) 3.112 26.640 ( -5.007 0.930 0.160) 5.095 26.697 ( -3.290 -4.536 -1.873) 5.908 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -10.834 18.294 5.607) 21.988 1.720 ( -6.732 -5.355 -1.449) 8.724 1.915 ( -14.345 15.400 9.445) 23.068 2.125 ( -7.476 -5.214 -1.748) 9.280 2.321 ( -17.594 -2.396 -0.155) 17.757 2.359 ( -4.974 -8.515 -2.329) 10.133 2.620 ( 3.383 -2.734 6.046) 7.448 2.687 ( 0.755 -8.025 0.578) 8.081 2.802 ( 0.464 -0.699 -6.237) 6.293 2.841 ( 3.181 -3.214 -5.501) 7.121 2.995 ( 0.530 2.358 -6.181) 6.636 3.057 ( -1.078 -0.301 -1.437) 1.822 3.261 ( -0.145 13.270 3.517) 13.729 3.348 ( -4.169 19.353 3.715) 20.142 3.425 ( -4.760 -1.296 6.216) 7.936 3.478 ( -2.474 5.207 8.303) 10.108 3.634 ( -6.091 10.446 7.429) 14.192 3.664 ( 0.216 -9.791 2.452) 10.096 3.721 ( -2.394 -5.274 3.713) 6.880 3.825 ( 2.912 -1.051 -2.966) 4.287 3.923 ( 5.701 3.877 -5.324) 8.711 4.004 ( 8.208 -3.056 -4.236) 9.729 4.034 ( -0.689 3.878 1.859) 4.356 4.147 ( -0.237 -1.508 -7.326) 7.483 4.223 ( -10.393 1.420 0.597) 10.507 4.276 ( -5.138 8.339 2.911) 10.218 4.319 ( 1.151 3.355 4.265) 5.547 4.329 ( 0.968 -3.438 3.558) 5.041 4.456 ( -1.015 -1.870 1.630) 2.680 4.487 ( -0.450 -4.428 5.349) 6.959 4.568 ( 0.323 2.008 -3.913) 4.410 4.651 ( -4.369 1.411 -3.646) 5.862 4.708 ( -7.820 -14.455 2.085) 16.566 4.760 ( -1.166 -6.870 -0.121) 6.970 4.835 ( -3.592 1.735 3.340) 5.203 4.904 ( -3.263 -4.604 0.228) 5.648 5.025 ( -1.706 7.130 -6.836) 10.024 5.081 ( -3.911 10.645 -3.749) 11.945 5.111 ( 2.223 -0.714 -2.159) 3.180 5.255 ( -7.787 1.768 4.752) 9.292 5.275 ( -1.632 -4.391 -5.052) 6.890 5.307 ( -8.353 -2.595 -1.836) 8.937 5.515 ( -6.362 4.380 -2.104) 8.005 5.662 ( -0.594 -4.538 2.230) 5.091 5.718 ( -2.088 8.040 3.862) 9.160 5.811 ( -3.974 1.367 0.102) 4.204 5.909 ( -1.219 -1.656 6.409) 6.731 5.935 ( -5.577 -4.087 3.523) 7.760 5.970 ( 3.171 -1.494 -5.328) 6.377 6.114 ( 4.153 -5.416 -4.548) 8.201 6.251 ( 10.452 6.993 -7.663) 14.726 6.376 ( 5.238 -2.889 -3.606) 6.985 6.431 ( 2.139 -1.436 -3.333) 4.212 6.498 ( -0.669 -3.186 -5.789) 6.642 6.692 ( -2.922 -3.187 5.490) 6.988 6.765 ( 3.410 -8.916 0.182) 9.548 6.929 ( 6.022 0.203 0.906) 6.094 7.002 ( 2.772 -6.686 -1.401) 7.372 7.113 ( 1.034 5.517 -7.147) 9.087 7.240 ( 1.605 -6.656 -4.980) 8.467 7.391 ( -2.391 8.144 0.920) 8.537 7.543 ( 5.506 -2.876 2.854) 6.837 7.582 ( 0.834 2.150 2.577) 3.458 7.640 ( 8.782 -1.334 1.324) 8.981 7.710 ( 1.964 5.275 -0.897) 5.700 7.809 ( 2.096 -1.751 0.959) 2.895 7.917 ( 2.271 4.783 6.728) 8.561 7.965 ( 3.447 3.556 -2.673) 5.628 7.986 ( -6.460 -0.582 0.528) 6.508 8.065 ( 12.569 -6.319 3.023) 14.389 8.245 ( 0.816 4.953 0.250) 5.026 8.347 ( 0.926 -4.358 -1.725) 4.778 8.459 ( 2.280 2.493 2.561) 4.239 8.499 ( 0.520 -1.674 0.156) 1.760 8.637 ( -1.858 3.615 3.217) 5.183 8.665 ( -5.156 4.250 -1.946) 6.959 8.816 ( -4.006 -2.549 3.068) 5.653 8.856 ( -0.374 -8.907 3.568) 9.602 8.924 ( -4.445 -0.839 -2.391) 5.117 8.932 ( -0.090 -1.213 -4.555) 4.715 9.205 ( 3.068 2.475 -1.497) 4.217 9.262 ( 1.885 -2.435 -2.965) 4.275 9.424 ( 0.650 2.647 -2.755) 3.875 9.448 ( -0.488 -0.014 -0.029) 0.489 9.573 ( 4.768 2.559 4.503) 7.040 9.606 ( 3.738 -0.475 -2.138) 4.333 9.801 ( 3.027 3.091 4.221) 6.044 9.853 ( 2.194 -1.486 3.119) 4.092 10.002 ( 0.367 1.156 -1.194) 1.702 10.046 ( 3.234 2.821 3.580) 5.589 10.070 ( 2.620 0.664 -2.550) 3.716 10.130 ( 3.389 -2.410 1.450) 4.404 10.186 ( 5.313 1.636 0.570) 5.588 10.240 ( 2.580 -1.673 0.612) 3.135 10.325 ( 1.938 6.404 -0.366) 6.701 10.389 ( -3.283 2.925 0.516) 4.427 10.554 ( 3.346 8.506 0.212) 9.143 10.649 ( 0.762 8.360 -0.332) 8.401 10.668 ( -5.106 2.998 3.137) 6.700 10.763 ( 6.967 5.600 -5.042) 10.263 10.819 ( 5.759 1.413 -1.607) 6.144 10.888 ( 2.832 -0.123 -0.274) 2.848 10.925 ( -3.475 -11.604 5.107) 13.145 11.009 ( 7.760 -8.146 -4.846) 12.250 11.130 ( -1.348 2.010 -0.729) 2.528 11.199 ( -3.436 -0.507 0.364) 3.493 11.232 ( -2.422 -4.475 -6.790) 8.485 11.275 ( -0.719 -5.131 -2.978) 5.976 11.468 ( -2.303 -0.783 5.493) 6.007 11.545 ( -4.190 -7.271 7.962) 11.568 11.621 ( 1.586 4.994 2.714) 5.901 11.705 ( 1.465 -2.784 2.482) 4.008 11.846 ( 0.820 2.444 -2.246) 3.419 11.864 ( -0.264 0.447 -4.022) 4.056 11.911 ( -10.928 4.056 -1.295) 11.728 11.997 ( -6.035 -4.006 -1.118) 7.329 12.215 ( -5.670 1.220 0.903) 5.869 12.256 ( -7.121 -1.851 -0.540) 7.377 12.358 ( -3.669 3.178 -1.628) 5.120 12.390 ( -11.086 0.470 1.342) 11.177 12.495 ( -6.422 -6.457 3.932) 9.919 12.528 ( -1.848 -8.758 2.133) 9.202 12.694 ( -5.041 5.443 0.544) 7.438 12.757 ( -3.759 0.606 -6.874) 7.858 12.836 ( -1.922 -1.472 -1.613) 2.909 12.937 ( -5.486 -7.733 -1.586) 9.613 13.080 ( -4.896 -0.172 -7.042) 8.579 13.104 ( -2.335 -3.136 -8.426) 9.289 13.428 ( -0.124 7.596 1.132) 7.681 13.451 ( -2.468 5.059 0.564) 5.657 13.940 ( 4.833 3.037 0.959) 5.788 13.996 ( 3.215 -3.418 1.612) 4.962 14.104 ( -1.563 0.423 2.690) 3.140 14.153 ( -3.409 -3.254 2.428) 5.301 14.284 ( 5.541 1.829 0.752) 5.883 14.372 ( 3.344 -6.935 3.110) 8.304 14.559 ( -2.555 4.505 -2.571) 5.782 14.665 ( -8.421 -5.418 -0.781) 10.044 14.901 ( -9.783 3.044 -6.636) 12.207 14.918 ( -8.556 1.212 -3.478) 9.315 15.427 ( 7.250 8.564 6.731) 13.085 15.556 ( 7.535 -3.796 6.091) 10.406 15.792 ( 1.617 8.151 -2.785) 8.764 15.882 ( 0.971 -1.132 -0.968) 1.777 16.186 ( -3.026 3.058 5.325) 6.846 16.272 ( -0.298 -2.672 -2.455) 3.640 16.387 ( 1.607 -2.211 4.715) 5.450 16.459 ( 4.077 -6.119 -3.138) 7.994 17.419 ( 5.009 1.914 5.197) 7.467 17.471 ( 5.110 -3.497 3.509) 7.118 17.666 ( 6.933 1.607 -3.866) 8.098 17.688 ( 6.800 -0.823 -3.707) 7.788 20.766 ( -0.765 2.121 -0.394) 2.289 20.800 ( -1.174 -0.905 -0.719) 1.647 21.032 ( -5.415 -1.151 -2.909) 6.254 21.055 ( -4.845 -2.858 -1.989) 5.966 21.956 ( -1.861 4.913 4.826) 7.134 22.002 ( 0.583 0.977 -1.062) 1.557 22.167 ( -4.277 -0.026 3.327) 5.418 22.214 ( -1.831 -4.233 -0.869) 4.693 22.543 ( -0.236 7.694 -0.489) 7.713 22.636 ( -0.070 -0.594 -3.137) 3.193 22.876 ( 1.933 7.064 3.000) 7.915 22.996 ( 0.774 -2.938 0.947) 3.182 23.193 ( 1.359 3.146 3.154) 4.657 23.278 ( -1.827 -4.239 2.518) 5.258 23.598 ( -0.066 3.279 -0.992) 3.427 23.680 ( -0.967 -3.046 0.729) 3.278 23.858 ( 3.602 4.164 -4.184) 6.915 23.985 ( -0.345 -9.241 -5.711) 10.868 24.171 ( -1.140 2.513 -1.750) 3.267 24.240 ( -1.551 -4.563 -3.593) 6.011 24.699 ( 8.325 3.740 5.505) 10.658 24.797 ( 7.394 -6.302 0.604) 9.734 25.900 ( 13.715 8.162 3.869) 16.422 25.996 ( 13.913 -1.335 -0.051) 13.977 26.496 ( -3.028 1.073 0.447) 3.243 26.516 ( -3.324 -0.806 0.081) 3.421 26.541 ( -4.041 1.623 -0.529) 4.386 26.602 ( -4.784 -4.489 -1.694) 6.776 =================== 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 3/31500 10.0 1838.187 1803.951 2106.079 0.000 1.209 0.000 3/31500 20.0 171.050 147.320 119.364 0.000 -5.876 0.000 3/31500 30.0 57.175 46.220 34.660 0.000 -2.027 0.000 3/31500 40.0 29.217 23.179 17.062 0.000 -0.890 0.000 3/31500 50.0 18.469 14.529 10.665 0.000 -0.474 0.000 3/31500 60.0 13.175 10.302 7.581 0.000 -0.289 0.000 3/31500 70.0 10.132 7.879 5.824 0.000 -0.193 0.000 3/31500 80.0 8.194 6.338 4.709 0.000 -0.138 0.000 3/31500 90.0 6.867 5.283 3.947 0.000 -0.103 0.000 3/31500 100.0 5.907 4.523 3.396 0.000 -0.080 0.000 3/31500 110.0 5.184 3.952 2.982 0.000 -0.064 0.000 3/31500 120.0 4.621 3.509 2.660 0.000 -0.052 0.000 3/31500 130.0 4.170 3.156 2.403 0.000 -0.044 0.000 3/31500 140.0 3.803 2.870 2.194 0.000 -0.037 0.000 3/31500 150.0 3.497 2.632 2.020 0.000 -0.032 0.000 3/31500 160.0 3.239 2.432 1.873 0.000 -0.028 0.000 3/31500 170.0 3.018 2.262 1.747 0.000 -0.025 0.000 3/31500 180.0 2.826 2.115 1.639 0.000 -0.022 0.000 3/31500 190.0 2.659 1.986 1.544 0.000 -0.020 0.000 3/31500 200.0 2.512 1.874 1.460 0.000 -0.018 0.000 3/31500 210.0 2.381 1.774 1.385 0.000 -0.017 0.000 3/31500 220.0 2.263 1.684 1.319 0.000 -0.016 0.000 3/31500 230.0 2.158 1.604 1.258 0.000 -0.015 0.000 3/31500 240.0 2.062 1.531 1.204 0.000 -0.014 0.000 3/31500 250.0 1.975 1.465 1.154 0.000 -0.013 0.000 3/31500 260.0 1.895 1.405 1.109 0.000 -0.012 0.000 3/31500 270.0 1.822 1.350 1.067 0.000 -0.012 0.000 3/31500 280.0 1.755 1.299 1.028 0.000 -0.011 0.000 3/31500 290.0 1.692 1.252 0.993 0.000 -0.011 0.000 3/31500 300.0 1.635 1.209 0.959 0.000 -0.010 0.000 3/31500 310.0 1.581 1.168 0.928 0.000 -0.010 0.000 3/31500 320.0 1.530 1.130 0.899 0.000 -0.010 0.000 3/31500 330.0 1.483 1.095 0.872 0.000 -0.009 0.000 3/31500 340.0 1.439 1.062 0.847 0.000 -0.009 0.000 3/31500 350.0 1.398 1.031 0.823 0.000 -0.009 0.000 3/31500 360.0 1.359 1.002 0.800 0.000 -0.009 0.000 3/31500 370.0 1.322 0.974 0.779 0.000 -0.008 0.000 3/31500 380.0 1.287 0.948 0.759 0.000 -0.008 0.000 3/31500 390.0 1.254 0.923 0.739 0.000 -0.008 0.000 3/31500 400.0 1.223 0.900 0.721 0.000 -0.008 0.000 3/31500 410.0 1.193 0.878 0.704 0.000 -0.008 0.000 3/31500 420.0 1.165 0.857 0.687 0.000 -0.007 0.000 3/31500 430.0 1.138 0.837 0.672 0.000 -0.007 0.000 3/31500 440.0 1.112 0.818 0.657 0.000 -0.007 0.000 3/31500 450.0 1.088 0.799 0.642 0.000 -0.007 0.000 3/31500 460.0 1.064 0.782 0.629 0.000 -0.007 0.000 3/31500 470.0 1.042 0.765 0.616 0.000 -0.007 0.000 3/31500 480.0 1.020 0.749 0.603 0.000 -0.007 0.000 3/31500 490.0 1.000 0.734 0.591 0.000 -0.007 0.000 3/31500 500.0 0.980 0.719 0.579 0.000 -0.006 0.000 3/31500 510.0 0.961 0.705 0.568 0.000 -0.006 0.000 3/31500 520.0 0.943 0.691 0.557 0.000 -0.006 0.000 3/31500 530.0 0.925 0.678 0.547 0.000 -0.006 0.000 3/31500 540.0 0.908 0.666 0.537 0.000 -0.006 0.000 3/31500 550.0 0.892 0.654 0.528 0.000 -0.006 0.000 3/31500 560.0 0.876 0.642 0.518 0.000 -0.006 0.000 3/31500 570.0 0.861 0.631 0.509 0.000 -0.006 0.000 3/31500 580.0 0.846 0.620 0.501 0.000 -0.006 0.000 3/31500 590.0 0.832 0.609 0.492 0.000 -0.006 0.000 3/31500 600.0 0.818 0.599 0.484 0.000 -0.006 0.000 3/31500 610.0 0.805 0.589 0.476 0.000 -0.005 0.000 3/31500 620.0 0.792 0.580 0.469 0.000 -0.005 0.000 3/31500 630.0 0.780 0.571 0.462 0.000 -0.005 0.000 3/31500 640.0 0.768 0.562 0.454 0.000 -0.005 0.000 3/31500 650.0 0.756 0.553 0.448 0.000 -0.005 0.000 3/31500 660.0 0.745 0.545 0.441 0.000 -0.005 0.000 3/31500 670.0 0.734 0.537 0.434 0.000 -0.005 0.000 3/31500 680.0 0.723 0.529 0.428 0.000 -0.005 0.000 3/31500 690.0 0.713 0.521 0.422 0.000 -0.005 0.000 3/31500 700.0 0.703 0.514 0.416 0.000 -0.005 0.000 3/31500 710.0 0.693 0.507 0.410 0.000 -0.005 0.000 3/31500 720.0 0.683 0.500 0.405 0.000 -0.005 0.000 3/31500 730.0 0.674 0.493 0.399 0.000 -0.005 0.000 3/31500 740.0 0.665 0.486 0.394 0.000 -0.005 0.000 3/31500 750.0 0.656 0.480 0.389 0.000 -0.005 0.000 3/31500 760.0 0.648 0.473 0.384 0.000 -0.005 0.000 3/31500 770.0 0.639 0.467 0.379 0.000 -0.004 0.000 3/31500 780.0 0.631 0.461 0.374 0.000 -0.004 0.000 3/31500 790.0 0.623 0.455 0.369 0.000 -0.004 0.000 3/31500 800.0 0.616 0.450 0.365 0.000 -0.004 0.000 3/31500 810.0 0.608 0.444 0.360 0.000 -0.004 0.000 3/31500 820.0 0.601 0.439 0.356 0.000 -0.004 0.000 3/31500 830.0 0.593 0.434 0.352 0.000 -0.004 0.000 3/31500 840.0 0.586 0.428 0.348 0.000 -0.004 0.000 3/31500 850.0 0.580 0.423 0.344 0.000 -0.004 0.000 3/31500 860.0 0.573 0.418 0.340 0.000 -0.004 0.000 3/31500 870.0 0.566 0.414 0.336 0.000 -0.004 0.000 3/31500 880.0 0.560 0.409 0.332 0.000 -0.004 0.000 3/31500 890.0 0.554 0.404 0.328 0.000 -0.004 0.000 3/31500 900.0 0.548 0.400 0.325 0.000 -0.004 0.000 3/31500 910.0 0.542 0.396 0.321 0.000 -0.004 0.000 3/31500 920.0 0.536 0.391 0.318 0.000 -0.004 0.000 3/31500 930.0 0.530 0.387 0.314 0.000 -0.004 0.000 3/31500 940.0 0.525 0.383 0.311 0.000 -0.004 0.000 3/31500 950.0 0.519 0.379 0.308 0.000 -0.004 0.000 3/31500 960.0 0.514 0.375 0.305 0.000 -0.004 0.000 3/31500 970.0 0.508 0.371 0.301 0.000 -0.004 0.000 3/31500 980.0 0.503 0.367 0.298 0.000 -0.004 0.000 3/31500 990.0 0.498 0.364 0.295 0.000 -0.004 0.000 3/31500 1000.0 0.493 0.360 0.292 0.000 -0.004 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:39:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|