----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:13:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.288224300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): *1 O 0.38281967186022 0.44537778511780 0.44659462276098 15.999 2 O 0.61718032813978 0.44537778511780 0.05340537723902 15.999 3 O 0.11718032813978 0.05462221488220 0.94659462276098 15.999 4 O 0.88281967186022 0.05462221488220 0.55340537723902 15.999 5 O 0.61718032813978 0.55462221488220 0.55340537723902 15.999 6 O 0.38281967186022 0.55462221488220 0.94659462276098 15.999 7 O 0.88281967186022 0.94537778511780 0.05340537723902 15.999 8 O 0.11718032813978 0.94537778511780 0.44659462276098 15.999 *9 O 0.16404606949267 0.44356233560984 0.35462548836264 15.999 10 O 0.83595393050734 0.44356233560984 0.14537451163736 15.999 11 O 0.33595393050734 0.05643766439016 0.85462548836264 15.999 12 O 0.66404606949266 0.05643766439016 0.64537451163736 15.999 13 O 0.83595393050734 0.55643766439016 0.64537451163736 15.999 14 O 0.16404606949267 0.55643766439016 0.85462548836264 15.999 *15 O 0.19824418253237 0.11864217173867 0.15680896288980 15.999 16 O 0.66404606949266 0.94356233560984 0.14537451163736 15.999 *17 O 0.42084160326122 0.10959578674543 0.08609078556693 15.999 18 O 0.57915839673878 0.10959578674543 0.41390921443307 15.999 19 O 0.07915839673878 0.39040421325457 0.58609078556693 15.999 20 O 0.92084160326122 0.39040421325457 0.91390921443307 15.999 21 O 0.57915839673878 0.89040421325457 0.91390921443307 15.999 22 O 0.42084160326122 0.89040421325457 0.58609078556693 15.999 23 O 0.92084160326122 0.60959578674543 0.41390921443307 15.999 24 O 0.07915839673878 0.60959578674543 0.08609078556693 15.999 *25 O 0.50000000000000 0.52306818018635 0.25000000000000 15.999 26 O 0.00000000000000 0.97693181981365 0.75000000000000 15.999 27 O 0.50000000000000 0.47693181981365 0.75000000000000 15.999 28 O 0.00000000000000 0.02306818018635 0.25000000000000 15.999 29 O 0.30175581746763 0.61864217173867 0.15680896288980 15.999 30 O 0.69824418253237 0.61864217173867 0.34319103711020 15.999 31 O 0.19824418253237 0.88135782826133 0.65680896288980 15.999 32 O 0.80175581746763 0.88135782826133 0.84319103711020 15.999 33 O 0.69824418253237 0.38135782826133 0.84319103711020 15.999 34 O 0.30175581746763 0.38135782826133 0.65680896288980 15.999 35 O 0.80175581746763 0.11864217173867 0.34319103711020 15.999 36 O 0.33595393050734 0.94356233560984 0.35462548836264 15.999 *37 La 0.01115955603814 0.24310570732842 0.08901110929995 138.905 38 La 0.98884044396186 0.24310570732842 0.41098889070005 138.905 39 La 0.48884044396186 0.25689429267158 0.58901110929995 138.905 40 La 0.51115955603814 0.25689429267158 0.91098889070005 138.905 41 La 0.98884044396186 0.75689429267158 0.91098889070005 138.905 42 La 0.01115955603814 0.75689429267158 0.58901110929995 138.905 43 La 0.51115955603814 0.74310570732842 0.41098889070005 138.905 44 La 0.48884044396186 0.74310570732842 0.08901110929995 138.905 *45 La 0.34033587256713 0.30079024807311 0.26373384455805 138.905 46 La 0.65966412743286 0.30079024807311 0.23626615544195 138.905 47 La 0.15966412743287 0.19920975192689 0.76373384455805 138.905 48 La 0.84033587256714 0.19920975192689 0.73626615544195 138.905 49 La 0.65966412743286 0.69920975192689 0.73626615544195 138.905 50 La 0.34033587256713 0.69920975192689 0.76373384455805 138.905 51 La 0.84033587256714 0.80079024807311 0.23626615544195 138.905 52 La 0.15966412743287 0.80079024807311 0.26373384455805 138.905 *53 Au 0.27102851251383 0.07835211473843 0.01043474913408 196.967 54 Au 0.72897148748617 0.07835211473843 0.48956525086592 196.967 55 Au 0.22897148748617 0.42164788526157 0.51043474913408 196.967 56 Au 0.77102851251383 0.42164788526157 0.98956525086592 196.967 57 Au 0.72897148748617 0.92164788526157 0.98956525086592 196.967 58 Au 0.27102851251383 0.92164788526157 0.51043474913408 196.967 59 Au 0.77102851251383 0.57835211473843 0.48956525086592 196.967 60 Au 0.22897148748617 0.57835211473843 0.01043474913408 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.288224300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): *1 O 0.38281967186022 0.44537778511780 0.44659462276098 15.999 > 1 2 O 0.61718032813978 0.44537778511780 0.05340537723902 15.999 > 2 3 O 0.11718032813978 0.05462221488220 0.94659462276098 15.999 > 3 4 O 0.88281967186022 0.05462221488220 0.55340537723902 15.999 > 4 5 O 0.61718032813978 0.55462221488220 0.55340537723902 15.999 > 5 6 O 0.38281967186022 0.55462221488220 0.94659462276098 15.999 > 6 7 O 0.88281967186022 0.94537778511780 0.05340537723902 15.999 > 7 8 O 0.11718032813978 0.94537778511780 0.44659462276098 15.999 > 8 *9 O 0.16404606949267 0.44356233560984 0.35462548836264 15.999 > 9 10 O 0.83595393050734 0.44356233560984 0.14537451163736 15.999 > 10 11 O 0.33595393050734 0.05643766439016 0.85462548836264 15.999 > 11 12 O 0.66404606949266 0.05643766439016 0.64537451163736 15.999 > 12 13 O 0.83595393050734 0.55643766439016 0.64537451163736 15.999 > 13 14 O 0.16404606949267 0.55643766439016 0.85462548836264 15.999 > 14 *15 O 0.19824418253237 0.11864217173867 0.15680896288980 15.999 > 15 16 O 0.66404606949266 0.94356233560984 0.14537451163736 15.999 > 16 *17 O 0.42084160326122 0.10959578674543 0.08609078556693 15.999 > 17 18 O 0.57915839673878 0.10959578674543 0.41390921443307 15.999 > 18 19 O 0.07915839673878 0.39040421325457 0.58609078556693 15.999 > 19 20 O 0.92084160326122 0.39040421325457 0.91390921443307 15.999 > 20 21 O 0.57915839673878 0.89040421325457 0.91390921443307 15.999 > 21 22 O 0.42084160326122 0.89040421325457 0.58609078556693 15.999 > 22 23 O 0.92084160326122 0.60959578674543 0.41390921443307 15.999 > 23 24 O 0.07915839673878 0.60959578674543 0.08609078556693 15.999 > 24 *25 O 0.50000000000000 0.52306818018635 0.25000000000000 15.999 > 25 26 O 0.00000000000000 0.97693181981365 0.75000000000000 15.999 > 26 27 O 0.50000000000000 0.47693181981365 0.75000000000000 15.999 > 27 28 O 0.00000000000000 0.02306818018635 0.25000000000000 15.999 > 28 29 O 0.30175581746763 0.61864217173867 0.15680896288980 15.999 > 29 30 O 0.69824418253237 0.61864217173867 0.34319103711020 15.999 > 30 31 O 0.19824418253237 0.88135782826133 0.65680896288980 15.999 > 31 32 O 0.80175581746763 0.88135782826133 0.84319103711020 15.999 > 32 33 O 0.69824418253237 0.38135782826133 0.84319103711020 15.999 > 33 34 O 0.30175581746763 0.38135782826133 0.65680896288980 15.999 > 34 35 O 0.80175581746763 0.11864217173867 0.34319103711020 15.999 > 35 36 O 0.33595393050734 0.94356233560984 0.35462548836264 15.999 > 36 *37 La 0.01115955603814 0.24310570732842 0.08901110929995 138.905 > 37 38 La 0.98884044396186 0.24310570732842 0.41098889070005 138.905 > 38 39 La 0.48884044396186 0.25689429267158 0.58901110929995 138.905 > 39 40 La 0.51115955603814 0.25689429267158 0.91098889070005 138.905 > 40 41 La 0.98884044396186 0.75689429267158 0.91098889070005 138.905 > 41 42 La 0.01115955603814 0.75689429267158 0.58901110929995 138.905 > 42 43 La 0.51115955603814 0.74310570732842 0.41098889070005 138.905 > 43 44 La 0.48884044396186 0.74310570732842 0.08901110929995 138.905 > 44 *45 La 0.34033587256713 0.30079024807311 0.26373384455805 138.905 > 45 46 La 0.65966412743286 0.30079024807311 0.23626615544195 138.905 > 46 47 La 0.15966412743287 0.19920975192689 0.76373384455805 138.905 > 47 48 La 0.84033587256714 0.19920975192689 0.73626615544195 138.905 > 48 49 La 0.65966412743286 0.69920975192689 0.73626615544195 138.905 > 49 50 La 0.34033587256713 0.69920975192689 0.76373384455805 138.905 > 50 51 La 0.84033587256714 0.80079024807311 0.23626615544195 138.905 > 51 52 La 0.15966412743287 0.80079024807311 0.26373384455805 138.905 > 52 *53 Au 0.27102851251383 0.07835211473843 0.01043474913408 196.967 > 53 54 Au 0.72897148748617 0.07835211473843 0.48956525086592 196.967 > 54 55 Au 0.22897148748617 0.42164788526157 0.51043474913408 196.967 > 55 56 Au 0.77102851251383 0.42164788526157 0.98956525086592 196.967 > 56 57 Au 0.72897148748617 0.92164788526157 0.98956525086592 196.967 > 57 58 Au 0.27102851251383 0.92164788526157 0.51043474913408 196.967 > 58 59 Au 0.77102851251383 0.57835211473843 0.48956525086592 196.967 > 59 60 Au 0.22897148748617 0.57835211473843 0.01043474913408 196.967 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.576448600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): *1 O 0.38281967186022 0.22268889255890 0.44659462276098 15.999 > 1 2 O 0.38281967186022 0.72268889255890 0.44659462276098 15.999 > 1 3 O 0.61718032813978 0.22268889255890 0.05340537723902 15.999 > 2 4 O 0.61718032813978 0.72268889255890 0.05340537723902 15.999 > 2 5 O 0.11718032813978 0.02731110744110 0.94659462276098 15.999 > 3 6 O 0.11718032813978 0.52731110744110 0.94659462276098 15.999 > 3 7 O 0.88281967186022 0.02731110744110 0.55340537723902 15.999 > 4 8 O 0.88281967186022 0.52731110744110 0.55340537723902 15.999 > 4 9 O 0.61718032813978 0.27731110744110 0.55340537723902 15.999 > 5 10 O 0.61718032813978 0.77731110744110 0.55340537723902 15.999 > 5 11 O 0.38281967186022 0.27731110744110 0.94659462276098 15.999 > 6 12 O 0.38281967186022 0.77731110744110 0.94659462276098 15.999 > 6 13 O 0.88281967186022 0.47268889255890 0.05340537723902 15.999 > 7 14 O 0.88281967186022 0.97268889255890 0.05340537723902 15.999 > 7 15 O 0.11718032813978 0.47268889255890 0.44659462276098 15.999 > 8 16 O 0.11718032813978 0.97268889255890 0.44659462276098 15.999 > 8 *17 O 0.16404606949267 0.22178116780492 0.35462548836264 15.999 > 9 18 O 0.16404606949267 0.72178116780492 0.35462548836264 15.999 > 9 19 O 0.83595393050734 0.22178116780492 0.14537451163736 15.999 > 10 20 O 0.83595393050734 0.72178116780492 0.14537451163736 15.999 > 10 21 O 0.33595393050734 0.02821883219508 0.85462548836264 15.999 > 11 22 O 0.33595393050734 0.52821883219508 0.85462548836264 15.999 > 11 23 O 0.66404606949266 0.02821883219508 0.64537451163736 15.999 > 12 24 O 0.66404606949266 0.52821883219508 0.64537451163736 15.999 > 12 25 O 0.83595393050734 0.27821883219508 0.64537451163736 15.999 > 13 26 O 0.83595393050734 0.77821883219508 0.64537451163736 15.999 > 13 27 O 0.16404606949267 0.27821883219508 0.85462548836264 15.999 > 14 28 O 0.16404606949267 0.77821883219508 0.85462548836264 15.999 > 14 *29 O 0.19824418253237 0.05932108586933 0.15680896288980 15.999 > 15 30 O 0.19824418253237 0.55932108586933 0.15680896288980 15.999 > 15 31 O 0.66404606949266 0.47178116780492 0.14537451163736 15.999 > 16 32 O 0.66404606949266 0.97178116780492 0.14537451163736 15.999 > 16 *33 O 0.42084160326122 0.05479789337271 0.08609078556693 15.999 > 17 34 O 0.42084160326122 0.55479789337272 0.08609078556693 15.999 > 17 35 O 0.57915839673878 0.05479789337271 0.41390921443307 15.999 > 18 36 O 0.57915839673878 0.55479789337272 0.41390921443307 15.999 > 18 37 O 0.07915839673878 0.19520210662728 0.58609078556693 15.999 > 19 38 O 0.07915839673878 0.69520210662728 0.58609078556693 15.999 > 19 39 O 0.92084160326122 0.19520210662728 0.91390921443307 15.999 > 20 40 O 0.92084160326122 0.69520210662728 0.91390921443307 15.999 > 20 41 O 0.57915839673878 0.44520210662728 0.91390921443307 15.999 > 21 42 O 0.57915839673878 0.94520210662728 0.91390921443307 15.999 > 21 43 O 0.42084160326122 0.44520210662728 0.58609078556693 15.999 > 22 44 O 0.42084160326122 0.94520210662728 0.58609078556693 15.999 > 22 45 O 0.92084160326122 0.30479789337272 0.41390921443307 15.999 > 23 46 O 0.92084160326122 0.80479789337272 0.41390921443307 15.999 > 23 47 O 0.07915839673878 0.30479789337272 0.08609078556693 15.999 > 24 48 O 0.07915839673878 0.80479789337272 0.08609078556693 15.999 > 24 *49 O 0.50000000000000 0.26153409009317 0.25000000000000 15.999 > 25 50 O 0.50000000000000 0.76153409009317 0.25000000000000 15.999 > 25 51 O 0.00000000000000 0.48846590990683 0.75000000000000 15.999 > 26 52 O 0.00000000000000 0.98846590990683 0.75000000000000 15.999 > 26 53 O 0.50000000000000 0.23846590990683 0.75000000000000 15.999 > 27 54 O 0.50000000000000 0.73846590990683 0.75000000000000 15.999 > 27 55 O 0.00000000000000 0.01153409009317 0.25000000000000 15.999 > 28 56 O 0.00000000000000 0.51153409009317 0.25000000000000 15.999 > 28 57 O 0.30175581746763 0.30932108586933 0.15680896288980 15.999 > 29 58 O 0.30175581746763 0.80932108586933 0.15680896288980 15.999 > 29 59 O 0.69824418253237 0.30932108586933 0.34319103711020 15.999 > 30 60 O 0.69824418253237 0.80932108586933 0.34319103711020 15.999 > 30 61 O 0.19824418253237 0.44067891413067 0.65680896288980 15.999 > 31 62 O 0.19824418253237 0.94067891413067 0.65680896288980 15.999 > 31 63 O 0.80175581746763 0.44067891413067 0.84319103711020 15.999 > 32 64 O 0.80175581746763 0.94067891413067 0.84319103711020 15.999 > 32 65 O 0.69824418253237 0.19067891413067 0.84319103711020 15.999 > 33 66 O 0.69824418253237 0.69067891413067 0.84319103711020 15.999 > 33 67 O 0.30175581746763 0.19067891413067 0.65680896288980 15.999 > 34 68 O 0.30175581746763 0.69067891413067 0.65680896288980 15.999 > 34 69 O 0.80175581746763 0.05932108586933 0.34319103711020 15.999 > 35 70 O 0.80175581746763 0.55932108586933 0.34319103711020 15.999 > 35 71 O 0.33595393050734 0.47178116780492 0.35462548836264 15.999 > 36 72 O 0.33595393050734 0.97178116780492 0.35462548836264 15.999 > 36 *73 La 0.01115955603814 0.12155285366421 0.08901110929995 138.905 > 37 74 La 0.01115955603814 0.62155285366421 0.08901110929995 138.905 > 37 75 La 0.98884044396186 0.12155285366421 0.41098889070005 138.905 > 38 76 La 0.98884044396186 0.62155285366421 0.41098889070005 138.905 > 38 77 La 0.48884044396186 0.12844714633579 0.58901110929995 138.905 > 39 78 La 0.48884044396186 0.62844714633579 0.58901110929995 138.905 > 39 79 La 0.51115955603814 0.12844714633579 0.91098889070005 138.905 > 40 80 La 0.51115955603814 0.62844714633579 0.91098889070005 138.905 > 40 81 La 0.98884044396186 0.37844714633579 0.91098889070005 138.905 > 41 82 La 0.98884044396186 0.87844714633579 0.91098889070005 138.905 > 41 83 La 0.01115955603814 0.37844714633579 0.58901110929995 138.905 > 42 84 La 0.01115955603814 0.87844714633579 0.58901110929995 138.905 > 42 85 La 0.51115955603814 0.37155285366421 0.41098889070005 138.905 > 43 86 La 0.51115955603814 0.87155285366421 0.41098889070005 138.905 > 43 87 La 0.48884044396186 0.37155285366421 0.08901110929995 138.905 > 44 88 La 0.48884044396186 0.87155285366421 0.08901110929995 138.905 > 44 *89 La 0.34033587256713 0.15039512403656 0.26373384455805 138.905 > 45 90 La 0.34033587256713 0.65039512403656 0.26373384455805 138.905 > 45 91 La 0.65966412743286 0.15039512403656 0.23626615544195 138.905 > 46 92 La 0.65966412743286 0.65039512403656 0.23626615544195 138.905 > 46 93 La 0.15966412743287 0.09960487596344 0.76373384455805 138.905 > 47 94 La 0.15966412743287 0.59960487596344 0.76373384455805 138.905 > 47 95 La 0.84033587256714 0.09960487596344 0.73626615544195 138.905 > 48 96 La 0.84033587256714 0.59960487596344 0.73626615544195 138.905 > 48 97 La 0.65966412743286 0.34960487596344 0.73626615544195 138.905 > 49 98 La 0.65966412743286 0.84960487596344 0.73626615544195 138.905 > 49 99 La 0.34033587256713 0.34960487596344 0.76373384455805 138.905 > 50 100 La 0.34033587256713 0.84960487596344 0.76373384455805 138.905 > 50 101 La 0.84033587256714 0.40039512403656 0.23626615544195 138.905 > 51 102 La 0.84033587256714 0.90039512403656 0.23626615544195 138.905 > 51 103 La 0.15966412743287 0.40039512403656 0.26373384455805 138.905 > 52 104 La 0.15966412743287 0.90039512403656 0.26373384455805 138.905 > 52 *105 Au 0.27102851251383 0.03917605736921 0.01043474913408 196.967 > 53 106 Au 0.27102851251383 0.53917605736921 0.01043474913408 196.967 > 53 107 Au 0.72897148748617 0.03917605736921 0.48956525086592 196.967 > 54 108 Au 0.72897148748617 0.53917605736921 0.48956525086592 196.967 > 54 109 Au 0.22897148748617 0.21082394263079 0.51043474913408 196.967 > 55 110 Au 0.22897148748617 0.71082394263079 0.51043474913408 196.967 > 55 111 Au 0.77102851251383 0.21082394263079 0.98956525086592 196.967 > 56 112 Au 0.77102851251383 0.71082394263079 0.98956525086592 196.967 > 56 113 Au 0.72897148748617 0.46082394263079 0.98956525086592 196.967 > 57 114 Au 0.72897148748617 0.96082394263079 0.98956525086592 196.967 > 57 115 Au 0.27102851251383 0.46082394263079 0.51043474913408 196.967 > 58 116 Au 0.27102851251383 0.96082394263079 0.51043474913408 196.967 > 58 117 Au 0.77102851251383 0.28917605736921 0.48956525086592 196.967 > 59 118 Au 0.77102851251383 0.78917605736921 0.48956525086592 196.967 > 59 119 Au 0.22897148748617 0.28917605736921 0.01043474913408 196.967 > 60 120 Au 0.22897148748617 0.78917605736921 0.01043474913408 196.967 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6461209 0.0000000 0.0000000 0.0000000 4.7352994 0.0000000 0.0000000 0.0000000 5.5448324 -------------------------- Born effective charges -------------------------- 1 O -2.8494331 -0.3453169 0.0474122 -0.2263715 -1.7214357 0.0494744 0.2294855 0.1363183 -1.9867486 2 O -2.8494331 0.3453169 0.0474122 0.2263715 -1.7214357 -0.0494744 0.2294855 -0.1363183 -1.9867486 3 O -2.8494331 -0.3453169 -0.0474122 -0.2263715 -1.7214357 -0.0494744 -0.2294855 -0.1363183 -1.9867486 4 O -2.8494331 0.3453169 -0.0474122 0.2263715 -1.7214357 0.0494744 -0.2294855 0.1363183 -1.9867486 5 O -2.8494331 -0.3453169 0.0474122 -0.2263715 -1.7214357 0.0494744 0.2294855 0.1363183 -1.9867486 6 O -2.8494331 0.3453169 0.0474122 0.2263715 -1.7214357 -0.0494744 0.2294855 -0.1363183 -1.9867486 7 O -2.8494331 -0.3453169 -0.0474122 -0.2263715 -1.7214357 -0.0494744 -0.2294855 -0.1363183 -1.9867486 8 O -2.8494331 0.3453169 -0.0474122 0.2263715 -1.7214357 0.0494744 -0.2294855 0.1363183 -1.9867486 9 O -2.0636763 0.0386931 -0.2008213 -0.1138146 -1.8651667 0.2735809 -0.0332493 0.4982469 -2.7029023 10 O -2.0636763 -0.0386931 -0.2008213 0.1138146 -1.8651667 -0.2735809 -0.0332493 -0.4982469 -2.7029023 11 O -2.0636763 0.0386931 0.2008213 -0.1138146 -1.8651667 -0.2735809 0.0332493 -0.4982469 -2.7029023 12 O -2.0636763 -0.0386931 0.2008213 0.1138146 -1.8651667 0.2735809 0.0332493 0.4982469 -2.7029023 13 O -2.0636763 0.0386931 -0.2008213 -0.1138146 -1.8651667 0.2735809 -0.0332493 0.4982469 -2.7029023 14 O -2.0636763 -0.0386931 -0.2008213 0.1138146 -1.8651667 -0.2735809 -0.0332493 -0.4982469 -2.7029023 15 O -1.7881358 -0.1573518 0.1310435 -0.1484770 -1.7886181 0.0409948 -0.0085813 0.2471651 -2.7724566 16 O -2.0636763 0.0386931 0.2008213 -0.1138146 -1.8651667 -0.2735809 0.0332493 -0.4982469 -2.7029023 17 O -2.5105166 0.3460846 -0.1574284 0.0562375 -1.9991139 -0.0265345 -0.1617340 0.0103755 -1.8688210 18 O -2.5105166 -0.3460846 -0.1574284 -0.0562375 -1.9991139 0.0265345 -0.1617340 -0.0103755 -1.8688210 19 O -2.5105166 0.3460846 0.1574284 0.0562375 -1.9991139 0.0265345 0.1617340 -0.0103755 -1.8688210 20 O -2.5105166 -0.3460846 0.1574284 -0.0562375 -1.9991139 -0.0265345 0.1617340 0.0103755 -1.8688210 21 O -2.5105166 0.3460846 -0.1574284 0.0562375 -1.9991139 -0.0265345 -0.1617340 0.0103755 -1.8688210 22 O -2.5105166 -0.3460846 -0.1574284 -0.0562375 -1.9991139 0.0265345 -0.1617340 -0.0103755 -1.8688210 23 O -2.5105166 0.3460846 0.1574284 0.0562375 -1.9991139 0.0265345 0.1617340 -0.0103755 -1.8688210 24 O -2.5105166 -0.3460846 0.1574284 -0.0562375 -1.9991139 -0.0265345 0.1617340 0.0103755 -1.8688210 25 O -3.0770088 0.0000000 0.1561416 0.0000000 -2.6212478 0.0000000 -0.1585194 0.0000000 -3.0563432 26 O -3.0770088 0.0000000 -0.1561416 0.0000000 -2.6212478 0.0000000 0.1585194 0.0000000 -3.0563432 27 O -3.0770088 0.0000000 0.1561416 0.0000000 -2.6212478 0.0000000 -0.1585194 0.0000000 -3.0563432 28 O -3.0770088 0.0000000 -0.1561416 0.0000000 -2.6212478 0.0000000 0.1585194 0.0000000 -3.0563432 29 O -1.7881358 0.1573518 -0.1310435 0.1484770 -1.7886181 0.0409948 0.0085813 0.2471651 -2.7724566 30 O -1.7881358 -0.1573518 -0.1310435 -0.1484770 -1.7886181 -0.0409948 0.0085813 -0.2471651 -2.7724566 31 O -1.7881358 0.1573518 0.1310435 0.1484770 -1.7886181 -0.0409948 -0.0085813 -0.2471651 -2.7724566 32 O -1.7881358 -0.1573518 0.1310435 -0.1484770 -1.7886181 0.0409948 -0.0085813 0.2471651 -2.7724566 33 O -1.7881358 0.1573518 -0.1310435 0.1484770 -1.7886181 0.0409948 0.0085813 0.2471651 -2.7724566 34 O -1.7881358 -0.1573518 -0.1310435 -0.1484770 -1.7886181 -0.0409948 0.0085813 -0.2471651 -2.7724566 35 O -1.7881358 0.1573518 0.1310435 0.1484770 -1.7886181 -0.0409948 -0.0085813 -0.2471651 -2.7724566 36 O -2.0636763 -0.0386931 0.2008213 0.1138146 -1.8651667 0.2735809 0.0332493 0.4982469 -2.7029023 37 La 5.1172993 0.1849206 0.0762158 -0.2565228 4.3482300 -0.6580363 0.1125309 -0.5889088 3.4397611 38 La 5.1172993 -0.1849206 0.0762158 0.2565228 4.3482300 0.6580363 0.1125309 0.5889088 3.4397611 39 La 5.1172993 0.1849206 -0.0762158 -0.2565228 4.3482300 0.6580363 -0.1125309 0.5889088 3.4397611 40 La 5.1172993 -0.1849206 -0.0762158 0.2565228 4.3482300 -0.6580363 -0.1125309 -0.5889088 3.4397611 41 La 5.1172993 0.1849206 0.0762158 -0.2565228 4.3482300 -0.6580363 0.1125309 -0.5889088 3.4397611 42 La 5.1172993 -0.1849206 0.0762158 0.2565228 4.3482300 0.6580363 0.1125309 0.5889088 3.4397611 43 La 5.1172993 0.1849206 -0.0762158 -0.2565228 4.3482300 0.6580363 -0.1125309 0.5889088 3.4397611 44 La 5.1172993 -0.1849206 -0.0762158 0.2565228 4.3482300 -0.6580363 -0.1125309 -0.5889088 3.4397611 45 La 3.5042540 0.4491573 0.0838137 0.5286407 4.2771017 0.2568700 0.1671465 -0.2446985 5.1806647 46 La 3.5042540 -0.4491573 0.0838137 -0.5286407 4.2771017 -0.2568700 0.1671465 0.2446985 5.1806647 47 La 3.5042540 0.4491573 -0.0838137 0.5286407 4.2771017 -0.2568700 -0.1671465 0.2446985 5.1806647 48 La 3.5042540 -0.4491573 -0.0838137 -0.5286407 4.2771017 0.2568700 -0.1671465 -0.2446985 5.1806647 49 La 3.5042540 0.4491573 0.0838137 0.5286407 4.2771017 0.2568700 0.1671465 -0.2446985 5.1806647 50 La 3.5042540 -0.4491573 0.0838137 -0.5286407 4.2771017 -0.2568700 0.1671465 0.2446985 5.1806647 51 La 3.5042540 0.4491573 -0.0838137 0.5286407 4.2771017 -0.2568700 -0.1671465 0.2446985 5.1806647 52 La 3.5042540 -0.4491573 -0.0838137 -0.5286407 4.2771017 0.2568700 -0.1671465 -0.2446985 5.1806647 53 Au 2.1287129 0.1042628 -0.0031431 0.1523157 0.0596265 0.2528014 0.0060591 0.3099120 2.2386743 54 Au 2.1287129 -0.1042628 -0.0031431 -0.1523157 0.0596265 -0.2528014 0.0060591 -0.3099120 2.2386743 55 Au 2.1287129 0.1042628 0.0031431 0.1523157 0.0596265 -0.2528014 -0.0060591 -0.3099120 2.2386743 56 Au 2.1287129 -0.1042628 0.0031431 -0.1523157 0.0596265 0.2528014 -0.0060591 0.3099120 2.2386743 57 Au 2.1287129 0.1042628 -0.0031431 0.1523157 0.0596265 0.2528014 0.0060591 0.3099120 2.2386743 58 Au 2.1287129 -0.1042628 -0.0031431 -0.1523157 0.0596265 -0.2528014 0.0060591 -0.3099120 2.2386743 59 Au 2.1287129 0.1042628 0.0031431 0.1523157 0.0596265 -0.2528014 -0.0060591 -0.3099120 2.2386743 60 Au 2.1287129 -0.1042628 0.0031431 -0.1523157 0.0596265 0.2528014 -0.0060591 0.3099120 2.2386743 ---------------------------------------------------------------------------- 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: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 388 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 16), data: (904, 32) @ (32, 16) |-- (404, 388), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.150 Solver_block: 200 / 960 - Time: 0.945 Solver_block: 300 / 960 - Time: 0.946 Solver_block: 400 / 960 - Time: 0.957 Solver_block: 500 / 960 - Time: 0.950 Solver_block: 600 / 960 - Time: 0.948 Solver_block: 700 / 960 - Time: 0.948 Solver_block: 800 / 960 - Time: 0.965 Solver_block: 900 / 960 - Time: 0.957 Solver_block: 960 / 960 - Time: 0.626 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.634 --------------------------------- 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: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 388 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 16), data: (904, 32) @ (32, 16) |-- (404, 388), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:14:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.288224300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): 1 O 0.38281967186022 0.44537778511780 0.44659462276098 15.999 2 O 0.61718032813978 0.44537778511780 0.05340537723902 15.999 3 O 0.11718032813978 0.05462221488220 0.94659462276098 15.999 4 O 0.88281967186022 0.05462221488220 0.55340537723902 15.999 5 O 0.61718032813978 0.55462221488220 0.55340537723902 15.999 6 O 0.38281967186022 0.55462221488220 0.94659462276098 15.999 7 O 0.88281967186022 0.94537778511780 0.05340537723902 15.999 8 O 0.11718032813978 0.94537778511780 0.44659462276098 15.999 9 O 0.16404606949267 0.44356233560984 0.35462548836264 15.999 10 O 0.83595393050734 0.44356233560984 0.14537451163736 15.999 11 O 0.33595393050734 0.05643766439016 0.85462548836264 15.999 12 O 0.66404606949266 0.05643766439016 0.64537451163736 15.999 13 O 0.83595393050734 0.55643766439016 0.64537451163736 15.999 14 O 0.16404606949267 0.55643766439016 0.85462548836264 15.999 15 O 0.19824418253237 0.11864217173867 0.15680896288980 15.999 16 O 0.66404606949266 0.94356233560984 0.14537451163736 15.999 17 O 0.42084160326122 0.10959578674543 0.08609078556693 15.999 18 O 0.57915839673878 0.10959578674543 0.41390921443307 15.999 19 O 0.07915839673878 0.39040421325457 0.58609078556693 15.999 20 O 0.92084160326122 0.39040421325457 0.91390921443307 15.999 21 O 0.57915839673878 0.89040421325457 0.91390921443307 15.999 22 O 0.42084160326122 0.89040421325457 0.58609078556693 15.999 23 O 0.92084160326122 0.60959578674543 0.41390921443307 15.999 24 O 0.07915839673878 0.60959578674543 0.08609078556693 15.999 25 O 0.50000000000000 0.52306818018635 0.25000000000000 15.999 26 O 0.00000000000000 0.97693181981365 0.75000000000000 15.999 27 O 0.50000000000000 0.47693181981365 0.75000000000000 15.999 28 O 0.00000000000000 0.02306818018635 0.25000000000000 15.999 29 O 0.30175581746763 0.61864217173867 0.15680896288980 15.999 30 O 0.69824418253237 0.61864217173867 0.34319103711020 15.999 31 O 0.19824418253237 0.88135782826133 0.65680896288980 15.999 32 O 0.80175581746763 0.88135782826133 0.84319103711020 15.999 33 O 0.69824418253237 0.38135782826133 0.84319103711020 15.999 34 O 0.30175581746763 0.38135782826133 0.65680896288980 15.999 35 O 0.80175581746763 0.11864217173867 0.34319103711020 15.999 36 O 0.33595393050734 0.94356233560984 0.35462548836264 15.999 37 La 0.01115955603814 0.24310570732842 0.08901110929995 138.905 38 La 0.98884044396186 0.24310570732842 0.41098889070005 138.905 39 La 0.48884044396186 0.25689429267158 0.58901110929995 138.905 40 La 0.51115955603814 0.25689429267158 0.91098889070005 138.905 41 La 0.98884044396186 0.75689429267158 0.91098889070005 138.905 42 La 0.01115955603814 0.75689429267158 0.58901110929995 138.905 43 La 0.51115955603814 0.74310570732842 0.41098889070005 138.905 44 La 0.48884044396186 0.74310570732842 0.08901110929995 138.905 45 La 0.34033587256713 0.30079024807311 0.26373384455805 138.905 46 La 0.65966412743286 0.30079024807311 0.23626615544195 138.905 47 La 0.15966412743287 0.19920975192689 0.76373384455805 138.905 48 La 0.84033587256714 0.19920975192689 0.73626615544195 138.905 49 La 0.65966412743286 0.69920975192689 0.73626615544195 138.905 50 La 0.34033587256713 0.69920975192689 0.76373384455805 138.905 51 La 0.84033587256714 0.80079024807311 0.23626615544195 138.905 52 La 0.15966412743287 0.80079024807311 0.26373384455805 138.905 53 Au 0.27102851251383 0.07835211473843 0.01043474913408 196.967 54 Au 0.72897148748617 0.07835211473843 0.48956525086592 196.967 55 Au 0.22897148748617 0.42164788526157 0.51043474913408 196.967 56 Au 0.77102851251383 0.42164788526157 0.98956525086592 196.967 57 Au 0.72897148748617 0.92164788526157 0.98956525086592 196.967 58 Au 0.27102851251383 0.92164788526157 0.51043474913408 196.967 59 Au 0.77102851251383 0.57835211473843 0.48956525086592 196.967 60 Au 0.22897148748617 0.57835211473843 0.01043474913408 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.576448600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): 1 O 0.38281967186022 0.22268889255890 0.44659462276098 15.999 > 1 2 O 0.38281967186022 0.72268889255890 0.44659462276098 15.999 > 1 3 O 0.61718032813978 0.22268889255890 0.05340537723902 15.999 > 3 4 O 0.61718032813978 0.72268889255890 0.05340537723902 15.999 > 3 5 O 0.11718032813978 0.02731110744110 0.94659462276098 15.999 > 5 6 O 0.11718032813978 0.52731110744110 0.94659462276098 15.999 > 5 7 O 0.88281967186022 0.02731110744110 0.55340537723902 15.999 > 7 8 O 0.88281967186022 0.52731110744110 0.55340537723902 15.999 > 7 9 O 0.61718032813978 0.27731110744110 0.55340537723902 15.999 > 9 10 O 0.61718032813978 0.77731110744110 0.55340537723902 15.999 > 9 11 O 0.38281967186022 0.27731110744110 0.94659462276098 15.999 > 11 12 O 0.38281967186022 0.77731110744110 0.94659462276098 15.999 > 11 13 O 0.88281967186022 0.47268889255890 0.05340537723902 15.999 > 13 14 O 0.88281967186022 0.97268889255890 0.05340537723902 15.999 > 13 15 O 0.11718032813978 0.47268889255890 0.44659462276098 15.999 > 15 16 O 0.11718032813978 0.97268889255890 0.44659462276098 15.999 > 15 17 O 0.16404606949267 0.22178116780492 0.35462548836264 15.999 > 17 18 O 0.16404606949267 0.72178116780492 0.35462548836264 15.999 > 17 19 O 0.83595393050734 0.22178116780492 0.14537451163736 15.999 > 19 20 O 0.83595393050734 0.72178116780492 0.14537451163736 15.999 > 19 21 O 0.33595393050734 0.02821883219508 0.85462548836264 15.999 > 21 22 O 0.33595393050734 0.52821883219508 0.85462548836264 15.999 > 21 23 O 0.66404606949266 0.02821883219508 0.64537451163736 15.999 > 23 24 O 0.66404606949266 0.52821883219508 0.64537451163736 15.999 > 23 25 O 0.83595393050734 0.27821883219508 0.64537451163736 15.999 > 25 26 O 0.83595393050734 0.77821883219508 0.64537451163736 15.999 > 25 27 O 0.16404606949267 0.27821883219508 0.85462548836264 15.999 > 27 28 O 0.16404606949267 0.77821883219508 0.85462548836264 15.999 > 27 29 O 0.19824418253237 0.05932108586933 0.15680896288980 15.999 > 29 30 O 0.19824418253237 0.55932108586933 0.15680896288980 15.999 > 29 31 O 0.66404606949266 0.47178116780492 0.14537451163736 15.999 > 31 32 O 0.66404606949266 0.97178116780492 0.14537451163736 15.999 > 31 33 O 0.42084160326122 0.05479789337271 0.08609078556693 15.999 > 33 34 O 0.42084160326122 0.55479789337272 0.08609078556693 15.999 > 33 35 O 0.57915839673878 0.05479789337271 0.41390921443307 15.999 > 35 36 O 0.57915839673878 0.55479789337272 0.41390921443307 15.999 > 35 37 O 0.07915839673878 0.19520210662728 0.58609078556693 15.999 > 37 38 O 0.07915839673878 0.69520210662728 0.58609078556693 15.999 > 37 39 O 0.92084160326122 0.19520210662728 0.91390921443307 15.999 > 39 40 O 0.92084160326122 0.69520210662728 0.91390921443307 15.999 > 39 41 O 0.57915839673878 0.44520210662728 0.91390921443307 15.999 > 41 42 O 0.57915839673878 0.94520210662728 0.91390921443307 15.999 > 41 43 O 0.42084160326122 0.44520210662728 0.58609078556693 15.999 > 43 44 O 0.42084160326122 0.94520210662728 0.58609078556693 15.999 > 43 45 O 0.92084160326122 0.30479789337272 0.41390921443307 15.999 > 45 46 O 0.92084160326122 0.80479789337272 0.41390921443307 15.999 > 45 47 O 0.07915839673878 0.30479789337272 0.08609078556693 15.999 > 47 48 O 0.07915839673878 0.80479789337272 0.08609078556693 15.999 > 47 49 O 0.50000000000000 0.26153409009317 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.76153409009317 0.25000000000000 15.999 > 49 51 O 0.00000000000000 0.48846590990683 0.75000000000000 15.999 > 51 52 O 0.00000000000000 0.98846590990683 0.75000000000000 15.999 > 51 53 O 0.50000000000000 0.23846590990683 0.75000000000000 15.999 > 53 54 O 0.50000000000000 0.73846590990683 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.01153409009317 0.25000000000000 15.999 > 55 56 O 0.00000000000000 0.51153409009317 0.25000000000000 15.999 > 55 57 O 0.30175581746763 0.30932108586933 0.15680896288980 15.999 > 57 58 O 0.30175581746763 0.80932108586933 0.15680896288980 15.999 > 57 59 O 0.69824418253237 0.30932108586933 0.34319103711020 15.999 > 59 60 O 0.69824418253237 0.80932108586933 0.34319103711020 15.999 > 59 61 O 0.19824418253237 0.44067891413067 0.65680896288980 15.999 > 61 62 O 0.19824418253237 0.94067891413067 0.65680896288980 15.999 > 61 63 O 0.80175581746763 0.44067891413067 0.84319103711020 15.999 > 63 64 O 0.80175581746763 0.94067891413067 0.84319103711020 15.999 > 63 65 O 0.69824418253237 0.19067891413067 0.84319103711020 15.999 > 65 66 O 0.69824418253237 0.69067891413067 0.84319103711020 15.999 > 65 67 O 0.30175581746763 0.19067891413067 0.65680896288980 15.999 > 67 68 O 0.30175581746763 0.69067891413067 0.65680896288980 15.999 > 67 69 O 0.80175581746763 0.05932108586933 0.34319103711020 15.999 > 69 70 O 0.80175581746763 0.55932108586933 0.34319103711020 15.999 > 69 71 O 0.33595393050734 0.47178116780492 0.35462548836264 15.999 > 71 72 O 0.33595393050734 0.97178116780492 0.35462548836264 15.999 > 71 73 La 0.01115955603814 0.12155285366421 0.08901110929995 138.905 > 73 74 La 0.01115955603814 0.62155285366421 0.08901110929995 138.905 > 73 75 La 0.98884044396186 0.12155285366421 0.41098889070005 138.905 > 75 76 La 0.98884044396186 0.62155285366421 0.41098889070005 138.905 > 75 77 La 0.48884044396186 0.12844714633579 0.58901110929995 138.905 > 77 78 La 0.48884044396186 0.62844714633579 0.58901110929995 138.905 > 77 79 La 0.51115955603814 0.12844714633579 0.91098889070005 138.905 > 79 80 La 0.51115955603814 0.62844714633579 0.91098889070005 138.905 > 79 81 La 0.98884044396186 0.37844714633579 0.91098889070005 138.905 > 81 82 La 0.98884044396186 0.87844714633579 0.91098889070005 138.905 > 81 83 La 0.01115955603814 0.37844714633579 0.58901110929995 138.905 > 83 84 La 0.01115955603814 0.87844714633579 0.58901110929995 138.905 > 83 85 La 0.51115955603814 0.37155285366421 0.41098889070005 138.905 > 85 86 La 0.51115955603814 0.87155285366421 0.41098889070005 138.905 > 85 87 La 0.48884044396186 0.37155285366421 0.08901110929995 138.905 > 87 88 La 0.48884044396186 0.87155285366421 0.08901110929995 138.905 > 87 89 La 0.34033587256713 0.15039512403656 0.26373384455805 138.905 > 89 90 La 0.34033587256713 0.65039512403656 0.26373384455805 138.905 > 89 91 La 0.65966412743286 0.15039512403656 0.23626615544195 138.905 > 91 92 La 0.65966412743286 0.65039512403656 0.23626615544195 138.905 > 91 93 La 0.15966412743287 0.09960487596344 0.76373384455805 138.905 > 93 94 La 0.15966412743287 0.59960487596344 0.76373384455805 138.905 > 93 95 La 0.84033587256714 0.09960487596344 0.73626615544195 138.905 > 95 96 La 0.84033587256714 0.59960487596344 0.73626615544195 138.905 > 95 97 La 0.65966412743286 0.34960487596344 0.73626615544195 138.905 > 97 98 La 0.65966412743286 0.84960487596344 0.73626615544195 138.905 > 97 99 La 0.34033587256713 0.34960487596344 0.76373384455805 138.905 > 99 100 La 0.34033587256713 0.84960487596344 0.76373384455805 138.905 > 99 101 La 0.84033587256714 0.40039512403656 0.23626615544195 138.905 > 101 102 La 0.84033587256714 0.90039512403656 0.23626615544195 138.905 > 101 103 La 0.15966412743287 0.40039512403656 0.26373384455805 138.905 > 103 104 La 0.15966412743287 0.90039512403656 0.26373384455805 138.905 > 103 105 Au 0.27102851251383 0.03917605736921 0.01043474913408 196.967 > 105 106 Au 0.27102851251383 0.53917605736921 0.01043474913408 196.967 > 105 107 Au 0.72897148748617 0.03917605736921 0.48956525086592 196.967 > 107 108 Au 0.72897148748617 0.53917605736921 0.48956525086592 196.967 > 107 109 Au 0.22897148748617 0.21082394263079 0.51043474913408 196.967 > 109 110 Au 0.22897148748617 0.71082394263079 0.51043474913408 196.967 > 109 111 Au 0.77102851251383 0.21082394263079 0.98956525086592 196.967 > 111 112 Au 0.77102851251383 0.71082394263079 0.98956525086592 196.967 > 111 113 Au 0.72897148748617 0.46082394263079 0.98956525086592 196.967 > 113 114 Au 0.72897148748617 0.96082394263079 0.98956525086592 196.967 > 113 115 Au 0.27102851251383 0.46082394263079 0.51043474913408 196.967 > 115 116 Au 0.27102851251383 0.96082394263079 0.51043474913408 196.967 > 115 117 Au 0.77102851251383 0.28917605736921 0.48956525086592 196.967 > 117 118 Au 0.77102851251383 0.78917605736921 0.48956525086592 196.967 > 117 119 Au 0.22897148748617 0.28917605736921 0.01043474913408 196.967 > 119 120 Au 0.22897148748617 0.78917605736921 0.01043474913408 196.967 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6461209 0.0000000 0.0000000 0.0000000 4.7352994 0.0000000 0.0000000 0.0000000 5.5448324 -------------------------- Born effective charges -------------------------- 1 O -2.8494331 -0.3453169 0.0474122 -0.2263715 -1.7214357 0.0494744 0.2294855 0.1363183 -1.9867486 2 O -2.8494331 0.3453169 0.0474122 0.2263715 -1.7214357 -0.0494744 0.2294855 -0.1363183 -1.9867486 3 O -2.8494331 -0.3453169 -0.0474122 -0.2263715 -1.7214357 -0.0494744 -0.2294855 -0.1363183 -1.9867486 4 O -2.8494331 0.3453169 -0.0474122 0.2263715 -1.7214357 0.0494744 -0.2294855 0.1363183 -1.9867486 5 O -2.8494331 -0.3453169 0.0474122 -0.2263715 -1.7214357 0.0494744 0.2294855 0.1363183 -1.9867486 6 O -2.8494331 0.3453169 0.0474122 0.2263715 -1.7214357 -0.0494744 0.2294855 -0.1363183 -1.9867486 7 O -2.8494331 -0.3453169 -0.0474122 -0.2263715 -1.7214357 -0.0494744 -0.2294855 -0.1363183 -1.9867486 8 O -2.8494331 0.3453169 -0.0474122 0.2263715 -1.7214357 0.0494744 -0.2294855 0.1363183 -1.9867486 9 O -2.0636763 0.0386931 -0.2008213 -0.1138146 -1.8651667 0.2735809 -0.0332493 0.4982469 -2.7029023 10 O -2.0636763 -0.0386931 -0.2008213 0.1138146 -1.8651667 -0.2735809 -0.0332493 -0.4982469 -2.7029023 11 O -2.0636763 0.0386931 0.2008213 -0.1138146 -1.8651667 -0.2735809 0.0332493 -0.4982469 -2.7029023 12 O -2.0636763 -0.0386931 0.2008213 0.1138146 -1.8651667 0.2735809 0.0332493 0.4982469 -2.7029023 13 O -2.0636763 0.0386931 -0.2008213 -0.1138146 -1.8651667 0.2735809 -0.0332493 0.4982469 -2.7029023 14 O -2.0636763 -0.0386931 -0.2008213 0.1138146 -1.8651667 -0.2735809 -0.0332493 -0.4982469 -2.7029023 15 O -1.7881358 -0.1573518 0.1310435 -0.1484770 -1.7886181 0.0409948 -0.0085813 0.2471651 -2.7724566 16 O -2.0636763 0.0386931 0.2008213 -0.1138146 -1.8651667 -0.2735809 0.0332493 -0.4982469 -2.7029023 17 O -2.5105166 0.3460846 -0.1574284 0.0562375 -1.9991139 -0.0265345 -0.1617340 0.0103755 -1.8688210 18 O -2.5105166 -0.3460846 -0.1574284 -0.0562375 -1.9991139 0.0265345 -0.1617340 -0.0103755 -1.8688210 19 O -2.5105166 0.3460846 0.1574284 0.0562375 -1.9991139 0.0265345 0.1617340 -0.0103755 -1.8688210 20 O -2.5105166 -0.3460846 0.1574284 -0.0562375 -1.9991139 -0.0265345 0.1617340 0.0103755 -1.8688210 21 O -2.5105166 0.3460846 -0.1574284 0.0562375 -1.9991139 -0.0265345 -0.1617340 0.0103755 -1.8688210 22 O -2.5105166 -0.3460846 -0.1574284 -0.0562375 -1.9991139 0.0265345 -0.1617340 -0.0103755 -1.8688210 23 O -2.5105166 0.3460846 0.1574284 0.0562375 -1.9991139 0.0265345 0.1617340 -0.0103755 -1.8688210 24 O -2.5105166 -0.3460846 0.1574284 -0.0562375 -1.9991139 -0.0265345 0.1617340 0.0103755 -1.8688210 25 O -3.0770088 0.0000000 0.1561416 0.0000000 -2.6212478 0.0000000 -0.1585194 0.0000000 -3.0563432 26 O -3.0770088 0.0000000 -0.1561416 0.0000000 -2.6212478 0.0000000 0.1585194 0.0000000 -3.0563432 27 O -3.0770088 0.0000000 0.1561416 0.0000000 -2.6212478 0.0000000 -0.1585194 0.0000000 -3.0563432 28 O -3.0770088 0.0000000 -0.1561416 0.0000000 -2.6212478 0.0000000 0.1585194 0.0000000 -3.0563432 29 O -1.7881358 0.1573518 -0.1310435 0.1484770 -1.7886181 0.0409948 0.0085813 0.2471651 -2.7724566 30 O -1.7881358 -0.1573518 -0.1310435 -0.1484770 -1.7886181 -0.0409948 0.0085813 -0.2471651 -2.7724566 31 O -1.7881358 0.1573518 0.1310435 0.1484770 -1.7886181 -0.0409948 -0.0085813 -0.2471651 -2.7724566 32 O -1.7881358 -0.1573518 0.1310435 -0.1484770 -1.7886181 0.0409948 -0.0085813 0.2471651 -2.7724566 33 O -1.7881358 0.1573518 -0.1310435 0.1484770 -1.7886181 0.0409948 0.0085813 0.2471651 -2.7724566 34 O -1.7881358 -0.1573518 -0.1310435 -0.1484770 -1.7886181 -0.0409948 0.0085813 -0.2471651 -2.7724566 35 O -1.7881358 0.1573518 0.1310435 0.1484770 -1.7886181 -0.0409948 -0.0085813 -0.2471651 -2.7724566 36 O -2.0636763 -0.0386931 0.2008213 0.1138146 -1.8651667 0.2735809 0.0332493 0.4982469 -2.7029023 37 La 5.1172993 0.1849206 0.0762158 -0.2565228 4.3482300 -0.6580363 0.1125309 -0.5889088 3.4397611 38 La 5.1172993 -0.1849206 0.0762158 0.2565228 4.3482300 0.6580363 0.1125309 0.5889088 3.4397611 39 La 5.1172993 0.1849206 -0.0762158 -0.2565228 4.3482300 0.6580363 -0.1125309 0.5889088 3.4397611 40 La 5.1172993 -0.1849206 -0.0762158 0.2565228 4.3482300 -0.6580363 -0.1125309 -0.5889088 3.4397611 41 La 5.1172993 0.1849206 0.0762158 -0.2565228 4.3482300 -0.6580363 0.1125309 -0.5889088 3.4397611 42 La 5.1172993 -0.1849206 0.0762158 0.2565228 4.3482300 0.6580363 0.1125309 0.5889088 3.4397611 43 La 5.1172993 0.1849206 -0.0762158 -0.2565228 4.3482300 0.6580363 -0.1125309 0.5889088 3.4397611 44 La 5.1172993 -0.1849206 -0.0762158 0.2565228 4.3482300 -0.6580363 -0.1125309 -0.5889088 3.4397611 45 La 3.5042540 0.4491573 0.0838137 0.5286407 4.2771017 0.2568700 0.1671465 -0.2446985 5.1806647 46 La 3.5042540 -0.4491573 0.0838137 -0.5286407 4.2771017 -0.2568700 0.1671465 0.2446985 5.1806647 47 La 3.5042540 0.4491573 -0.0838137 0.5286407 4.2771017 -0.2568700 -0.1671465 0.2446985 5.1806647 48 La 3.5042540 -0.4491573 -0.0838137 -0.5286407 4.2771017 0.2568700 -0.1671465 -0.2446985 5.1806647 49 La 3.5042540 0.4491573 0.0838137 0.5286407 4.2771017 0.2568700 0.1671465 -0.2446985 5.1806647 50 La 3.5042540 -0.4491573 0.0838137 -0.5286407 4.2771017 -0.2568700 0.1671465 0.2446985 5.1806647 51 La 3.5042540 0.4491573 -0.0838137 0.5286407 4.2771017 -0.2568700 -0.1671465 0.2446985 5.1806647 52 La 3.5042540 -0.4491573 -0.0838137 -0.5286407 4.2771017 0.2568700 -0.1671465 -0.2446985 5.1806647 53 Au 2.1287129 0.1042628 -0.0031431 0.1523157 0.0596265 0.2528014 0.0060591 0.3099120 2.2386743 54 Au 2.1287129 -0.1042628 -0.0031431 -0.1523157 0.0596265 -0.2528014 0.0060591 -0.3099120 2.2386743 55 Au 2.1287129 0.1042628 0.0031431 0.1523157 0.0596265 -0.2528014 -0.0060591 -0.3099120 2.2386743 56 Au 2.1287129 -0.1042628 0.0031431 -0.1523157 0.0596265 0.2528014 -0.0060591 0.3099120 2.2386743 57 Au 2.1287129 0.1042628 -0.0031431 0.1523157 0.0596265 0.2528014 0.0060591 0.3099120 2.2386743 58 Au 2.1287129 -0.1042628 -0.0031431 -0.1523157 0.0596265 -0.2528014 0.0060591 -0.3099120 2.2386743 59 Au 2.1287129 0.1042628 0.0031431 0.1523157 0.0596265 -0.2528014 -0.0060591 -0.3099120 2.2386743 60 Au 2.1287129 -0.1042628 0.0031431 -0.1523157 0.0596265 0.2528014 -0.0060591 0.3099120 2.2386743 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (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 23:15:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:15:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.288224300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): 1 O 0.38281967186022 0.44537778511780 0.44659462276098 15.999 2 O 0.61718032813978 0.44537778511780 0.05340537723902 15.999 3 O 0.11718032813978 0.05462221488220 0.94659462276098 15.999 4 O 0.88281967186022 0.05462221488220 0.55340537723902 15.999 5 O 0.61718032813978 0.55462221488220 0.55340537723902 15.999 6 O 0.38281967186022 0.55462221488220 0.94659462276098 15.999 7 O 0.88281967186022 0.94537778511780 0.05340537723902 15.999 8 O 0.11718032813978 0.94537778511780 0.44659462276098 15.999 9 O 0.16404606949267 0.44356233560984 0.35462548836264 15.999 10 O 0.83595393050734 0.44356233560984 0.14537451163736 15.999 11 O 0.33595393050734 0.05643766439016 0.85462548836264 15.999 12 O 0.66404606949266 0.05643766439016 0.64537451163736 15.999 13 O 0.83595393050734 0.55643766439016 0.64537451163736 15.999 14 O 0.16404606949267 0.55643766439016 0.85462548836264 15.999 15 O 0.19824418253237 0.11864217173867 0.15680896288980 15.999 16 O 0.66404606949266 0.94356233560984 0.14537451163736 15.999 17 O 0.42084160326122 0.10959578674543 0.08609078556693 15.999 18 O 0.57915839673878 0.10959578674543 0.41390921443307 15.999 19 O 0.07915839673878 0.39040421325457 0.58609078556693 15.999 20 O 0.92084160326122 0.39040421325457 0.91390921443307 15.999 21 O 0.57915839673878 0.89040421325457 0.91390921443307 15.999 22 O 0.42084160326122 0.89040421325457 0.58609078556693 15.999 23 O 0.92084160326122 0.60959578674543 0.41390921443307 15.999 24 O 0.07915839673878 0.60959578674543 0.08609078556693 15.999 25 O 0.50000000000000 0.52306818018635 0.25000000000000 15.999 26 O 0.00000000000000 0.97693181981365 0.75000000000000 15.999 27 O 0.50000000000000 0.47693181981365 0.75000000000000 15.999 28 O 0.00000000000000 0.02306818018635 0.25000000000000 15.999 29 O 0.30175581746763 0.61864217173867 0.15680896288980 15.999 30 O 0.69824418253237 0.61864217173867 0.34319103711020 15.999 31 O 0.19824418253237 0.88135782826133 0.65680896288980 15.999 32 O 0.80175581746763 0.88135782826133 0.84319103711020 15.999 33 O 0.69824418253237 0.38135782826133 0.84319103711020 15.999 34 O 0.30175581746763 0.38135782826133 0.65680896288980 15.999 35 O 0.80175581746763 0.11864217173867 0.34319103711020 15.999 36 O 0.33595393050734 0.94356233560984 0.35462548836264 15.999 37 La 0.01115955603814 0.24310570732842 0.08901110929995 138.905 38 La 0.98884044396186 0.24310570732842 0.41098889070005 138.905 39 La 0.48884044396186 0.25689429267158 0.58901110929995 138.905 40 La 0.51115955603814 0.25689429267158 0.91098889070005 138.905 41 La 0.98884044396186 0.75689429267158 0.91098889070005 138.905 42 La 0.01115955603814 0.75689429267158 0.58901110929995 138.905 43 La 0.51115955603814 0.74310570732842 0.41098889070005 138.905 44 La 0.48884044396186 0.74310570732842 0.08901110929995 138.905 45 La 0.34033587256713 0.30079024807311 0.26373384455805 138.905 46 La 0.65966412743286 0.30079024807311 0.23626615544195 138.905 47 La 0.15966412743287 0.19920975192689 0.76373384455805 138.905 48 La 0.84033587256714 0.19920975192689 0.73626615544195 138.905 49 La 0.65966412743286 0.69920975192689 0.73626615544195 138.905 50 La 0.34033587256713 0.69920975192689 0.76373384455805 138.905 51 La 0.84033587256714 0.80079024807311 0.23626615544195 138.905 52 La 0.15966412743287 0.80079024807311 0.26373384455805 138.905 53 Au 0.27102851251383 0.07835211473843 0.01043474913408 196.967 54 Au 0.72897148748617 0.07835211473843 0.48956525086592 196.967 55 Au 0.22897148748617 0.42164788526157 0.51043474913408 196.967 56 Au 0.77102851251383 0.42164788526157 0.98956525086592 196.967 57 Au 0.72897148748617 0.92164788526157 0.98956525086592 196.967 58 Au 0.27102851251383 0.92164788526157 0.51043474913408 196.967 59 Au 0.77102851251383 0.57835211473843 0.48956525086592 196.967 60 Au 0.22897148748617 0.57835211473843 0.01043474913408 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.013958430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.576448600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.028714710000003 Atomic positions (fractional): 1 O 0.38281967186022 0.22268889255890 0.44659462276098 15.999 > 1 2 O 0.38281967186022 0.72268889255890 0.44659462276098 15.999 > 1 3 O 0.61718032813978 0.22268889255890 0.05340537723902 15.999 > 3 4 O 0.61718032813978 0.72268889255890 0.05340537723902 15.999 > 3 5 O 0.11718032813978 0.02731110744110 0.94659462276098 15.999 > 5 6 O 0.11718032813978 0.52731110744110 0.94659462276098 15.999 > 5 7 O 0.88281967186022 0.02731110744110 0.55340537723902 15.999 > 7 8 O 0.88281967186022 0.52731110744110 0.55340537723902 15.999 > 7 9 O 0.61718032813978 0.27731110744110 0.55340537723902 15.999 > 9 10 O 0.61718032813978 0.77731110744110 0.55340537723902 15.999 > 9 11 O 0.38281967186022 0.27731110744110 0.94659462276098 15.999 > 11 12 O 0.38281967186022 0.77731110744110 0.94659462276098 15.999 > 11 13 O 0.88281967186022 0.47268889255890 0.05340537723902 15.999 > 13 14 O 0.88281967186022 0.97268889255890 0.05340537723902 15.999 > 13 15 O 0.11718032813978 0.47268889255890 0.44659462276098 15.999 > 15 16 O 0.11718032813978 0.97268889255890 0.44659462276098 15.999 > 15 17 O 0.16404606949267 0.22178116780492 0.35462548836264 15.999 > 17 18 O 0.16404606949267 0.72178116780492 0.35462548836264 15.999 > 17 19 O 0.83595393050734 0.22178116780492 0.14537451163736 15.999 > 19 20 O 0.83595393050734 0.72178116780492 0.14537451163736 15.999 > 19 21 O 0.33595393050734 0.02821883219508 0.85462548836264 15.999 > 21 22 O 0.33595393050734 0.52821883219508 0.85462548836264 15.999 > 21 23 O 0.66404606949266 0.02821883219508 0.64537451163736 15.999 > 23 24 O 0.66404606949266 0.52821883219508 0.64537451163736 15.999 > 23 25 O 0.83595393050734 0.27821883219508 0.64537451163736 15.999 > 25 26 O 0.83595393050734 0.77821883219508 0.64537451163736 15.999 > 25 27 O 0.16404606949267 0.27821883219508 0.85462548836264 15.999 > 27 28 O 0.16404606949267 0.77821883219508 0.85462548836264 15.999 > 27 29 O 0.19824418253237 0.05932108586933 0.15680896288980 15.999 > 29 30 O 0.19824418253237 0.55932108586933 0.15680896288980 15.999 > 29 31 O 0.66404606949266 0.47178116780492 0.14537451163736 15.999 > 31 32 O 0.66404606949266 0.97178116780492 0.14537451163736 15.999 > 31 33 O 0.42084160326122 0.05479789337271 0.08609078556693 15.999 > 33 34 O 0.42084160326122 0.55479789337272 0.08609078556693 15.999 > 33 35 O 0.57915839673878 0.05479789337271 0.41390921443307 15.999 > 35 36 O 0.57915839673878 0.55479789337272 0.41390921443307 15.999 > 35 37 O 0.07915839673878 0.19520210662728 0.58609078556693 15.999 > 37 38 O 0.07915839673878 0.69520210662728 0.58609078556693 15.999 > 37 39 O 0.92084160326122 0.19520210662728 0.91390921443307 15.999 > 39 40 O 0.92084160326122 0.69520210662728 0.91390921443307 15.999 > 39 41 O 0.57915839673878 0.44520210662728 0.91390921443307 15.999 > 41 42 O 0.57915839673878 0.94520210662728 0.91390921443307 15.999 > 41 43 O 0.42084160326122 0.44520210662728 0.58609078556693 15.999 > 43 44 O 0.42084160326122 0.94520210662728 0.58609078556693 15.999 > 43 45 O 0.92084160326122 0.30479789337272 0.41390921443307 15.999 > 45 46 O 0.92084160326122 0.80479789337272 0.41390921443307 15.999 > 45 47 O 0.07915839673878 0.30479789337272 0.08609078556693 15.999 > 47 48 O 0.07915839673878 0.80479789337272 0.08609078556693 15.999 > 47 49 O 0.50000000000000 0.26153409009317 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.76153409009317 0.25000000000000 15.999 > 49 51 O 0.00000000000000 0.48846590990683 0.75000000000000 15.999 > 51 52 O 0.00000000000000 0.98846590990683 0.75000000000000 15.999 > 51 53 O 0.50000000000000 0.23846590990683 0.75000000000000 15.999 > 53 54 O 0.50000000000000 0.73846590990683 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.01153409009317 0.25000000000000 15.999 > 55 56 O 0.00000000000000 0.51153409009317 0.25000000000000 15.999 > 55 57 O 0.30175581746763 0.30932108586933 0.15680896288980 15.999 > 57 58 O 0.30175581746763 0.80932108586933 0.15680896288980 15.999 > 57 59 O 0.69824418253237 0.30932108586933 0.34319103711020 15.999 > 59 60 O 0.69824418253237 0.80932108586933 0.34319103711020 15.999 > 59 61 O 0.19824418253237 0.44067891413067 0.65680896288980 15.999 > 61 62 O 0.19824418253237 0.94067891413067 0.65680896288980 15.999 > 61 63 O 0.80175581746763 0.44067891413067 0.84319103711020 15.999 > 63 64 O 0.80175581746763 0.94067891413067 0.84319103711020 15.999 > 63 65 O 0.69824418253237 0.19067891413067 0.84319103711020 15.999 > 65 66 O 0.69824418253237 0.69067891413067 0.84319103711020 15.999 > 65 67 O 0.30175581746763 0.19067891413067 0.65680896288980 15.999 > 67 68 O 0.30175581746763 0.69067891413067 0.65680896288980 15.999 > 67 69 O 0.80175581746763 0.05932108586933 0.34319103711020 15.999 > 69 70 O 0.80175581746763 0.55932108586933 0.34319103711020 15.999 > 69 71 O 0.33595393050734 0.47178116780492 0.35462548836264 15.999 > 71 72 O 0.33595393050734 0.97178116780492 0.35462548836264 15.999 > 71 73 La 0.01115955603814 0.12155285366421 0.08901110929995 138.905 > 73 74 La 0.01115955603814 0.62155285366421 0.08901110929995 138.905 > 73 75 La 0.98884044396186 0.12155285366421 0.41098889070005 138.905 > 75 76 La 0.98884044396186 0.62155285366421 0.41098889070005 138.905 > 75 77 La 0.48884044396186 0.12844714633579 0.58901110929995 138.905 > 77 78 La 0.48884044396186 0.62844714633579 0.58901110929995 138.905 > 77 79 La 0.51115955603814 0.12844714633579 0.91098889070005 138.905 > 79 80 La 0.51115955603814 0.62844714633579 0.91098889070005 138.905 > 79 81 La 0.98884044396186 0.37844714633579 0.91098889070005 138.905 > 81 82 La 0.98884044396186 0.87844714633579 0.91098889070005 138.905 > 81 83 La 0.01115955603814 0.37844714633579 0.58901110929995 138.905 > 83 84 La 0.01115955603814 0.87844714633579 0.58901110929995 138.905 > 83 85 La 0.51115955603814 0.37155285366421 0.41098889070005 138.905 > 85 86 La 0.51115955603814 0.87155285366421 0.41098889070005 138.905 > 85 87 La 0.48884044396186 0.37155285366421 0.08901110929995 138.905 > 87 88 La 0.48884044396186 0.87155285366421 0.08901110929995 138.905 > 87 89 La 0.34033587256713 0.15039512403656 0.26373384455805 138.905 > 89 90 La 0.34033587256713 0.65039512403656 0.26373384455805 138.905 > 89 91 La 0.65966412743286 0.15039512403656 0.23626615544195 138.905 > 91 92 La 0.65966412743286 0.65039512403656 0.23626615544195 138.905 > 91 93 La 0.15966412743287 0.09960487596344 0.76373384455805 138.905 > 93 94 La 0.15966412743287 0.59960487596344 0.76373384455805 138.905 > 93 95 La 0.84033587256714 0.09960487596344 0.73626615544195 138.905 > 95 96 La 0.84033587256714 0.59960487596344 0.73626615544195 138.905 > 95 97 La 0.65966412743286 0.34960487596344 0.73626615544195 138.905 > 97 98 La 0.65966412743286 0.84960487596344 0.73626615544195 138.905 > 97 99 La 0.34033587256713 0.34960487596344 0.76373384455805 138.905 > 99 100 La 0.34033587256713 0.84960487596344 0.76373384455805 138.905 > 99 101 La 0.84033587256714 0.40039512403656 0.23626615544195 138.905 > 101 102 La 0.84033587256714 0.90039512403656 0.23626615544195 138.905 > 101 103 La 0.15966412743287 0.40039512403656 0.26373384455805 138.905 > 103 104 La 0.15966412743287 0.90039512403656 0.26373384455805 138.905 > 103 105 Au 0.27102851251383 0.03917605736921 0.01043474913408 196.967 > 105 106 Au 0.27102851251383 0.53917605736921 0.01043474913408 196.967 > 105 107 Au 0.72897148748617 0.03917605736921 0.48956525086592 196.967 > 107 108 Au 0.72897148748617 0.53917605736921 0.48956525086592 196.967 > 107 109 Au 0.22897148748617 0.21082394263079 0.51043474913408 196.967 > 109 110 Au 0.22897148748617 0.71082394263079 0.51043474913408 196.967 > 109 111 Au 0.77102851251383 0.21082394263079 0.98956525086592 196.967 > 111 112 Au 0.77102851251383 0.71082394263079 0.98956525086592 196.967 > 111 113 Au 0.72897148748617 0.46082394263079 0.98956525086592 196.967 > 113 114 Au 0.72897148748617 0.96082394263079 0.98956525086592 196.967 > 113 115 Au 0.27102851251383 0.46082394263079 0.51043474913408 196.967 > 115 116 Au 0.27102851251383 0.96082394263079 0.51043474913408 196.967 > 115 117 Au 0.77102851251383 0.28917605736921 0.48956525086592 196.967 > 117 118 Au 0.77102851251383 0.78917605736921 0.48956525086592 196.967 > 117 119 Au 0.22897148748617 0.28917605736921 0.01043474913408 196.967 > 119 120 Au 0.22897148748617 0.78917605736921 0.01043474913408 196.967 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6461209 0.0000000 0.0000000 0.0000000 4.7352994 0.0000000 0.0000000 0.0000000 5.5448324 -------------------------- Born effective charges -------------------------- 1 O -2.8494331 -0.3453169 0.0474122 -0.2263715 -1.7214357 0.0494744 0.2294855 0.1363183 -1.9867486 2 O -2.8494331 0.3453169 0.0474122 0.2263715 -1.7214357 -0.0494744 0.2294855 -0.1363183 -1.9867486 3 O -2.8494331 -0.3453169 -0.0474122 -0.2263715 -1.7214357 -0.0494744 -0.2294855 -0.1363183 -1.9867486 4 O -2.8494331 0.3453169 -0.0474122 0.2263715 -1.7214357 0.0494744 -0.2294855 0.1363183 -1.9867486 5 O -2.8494331 -0.3453169 0.0474122 -0.2263715 -1.7214357 0.0494744 0.2294855 0.1363183 -1.9867486 6 O -2.8494331 0.3453169 0.0474122 0.2263715 -1.7214357 -0.0494744 0.2294855 -0.1363183 -1.9867486 7 O -2.8494331 -0.3453169 -0.0474122 -0.2263715 -1.7214357 -0.0494744 -0.2294855 -0.1363183 -1.9867486 8 O -2.8494331 0.3453169 -0.0474122 0.2263715 -1.7214357 0.0494744 -0.2294855 0.1363183 -1.9867486 9 O -2.0636763 0.0386931 -0.2008213 -0.1138146 -1.8651667 0.2735809 -0.0332493 0.4982469 -2.7029023 10 O -2.0636763 -0.0386931 -0.2008213 0.1138146 -1.8651667 -0.2735809 -0.0332493 -0.4982469 -2.7029023 11 O -2.0636763 0.0386931 0.2008213 -0.1138146 -1.8651667 -0.2735809 0.0332493 -0.4982469 -2.7029023 12 O -2.0636763 -0.0386931 0.2008213 0.1138146 -1.8651667 0.2735809 0.0332493 0.4982469 -2.7029023 13 O -2.0636763 0.0386931 -0.2008213 -0.1138146 -1.8651667 0.2735809 -0.0332493 0.4982469 -2.7029023 14 O -2.0636763 -0.0386931 -0.2008213 0.1138146 -1.8651667 -0.2735809 -0.0332493 -0.4982469 -2.7029023 15 O -1.7881358 -0.1573518 0.1310435 -0.1484770 -1.7886181 0.0409948 -0.0085813 0.2471651 -2.7724566 16 O -2.0636763 0.0386931 0.2008213 -0.1138146 -1.8651667 -0.2735809 0.0332493 -0.4982469 -2.7029023 17 O -2.5105166 0.3460846 -0.1574284 0.0562375 -1.9991139 -0.0265345 -0.1617340 0.0103755 -1.8688210 18 O -2.5105166 -0.3460846 -0.1574284 -0.0562375 -1.9991139 0.0265345 -0.1617340 -0.0103755 -1.8688210 19 O -2.5105166 0.3460846 0.1574284 0.0562375 -1.9991139 0.0265345 0.1617340 -0.0103755 -1.8688210 20 O -2.5105166 -0.3460846 0.1574284 -0.0562375 -1.9991139 -0.0265345 0.1617340 0.0103755 -1.8688210 21 O -2.5105166 0.3460846 -0.1574284 0.0562375 -1.9991139 -0.0265345 -0.1617340 0.0103755 -1.8688210 22 O -2.5105166 -0.3460846 -0.1574284 -0.0562375 -1.9991139 0.0265345 -0.1617340 -0.0103755 -1.8688210 23 O -2.5105166 0.3460846 0.1574284 0.0562375 -1.9991139 0.0265345 0.1617340 -0.0103755 -1.8688210 24 O -2.5105166 -0.3460846 0.1574284 -0.0562375 -1.9991139 -0.0265345 0.1617340 0.0103755 -1.8688210 25 O -3.0770088 0.0000000 0.1561416 0.0000000 -2.6212478 0.0000000 -0.1585194 0.0000000 -3.0563432 26 O -3.0770088 0.0000000 -0.1561416 0.0000000 -2.6212478 0.0000000 0.1585194 0.0000000 -3.0563432 27 O -3.0770088 0.0000000 0.1561416 0.0000000 -2.6212478 0.0000000 -0.1585194 0.0000000 -3.0563432 28 O -3.0770088 0.0000000 -0.1561416 0.0000000 -2.6212478 0.0000000 0.1585194 0.0000000 -3.0563432 29 O -1.7881358 0.1573518 -0.1310435 0.1484770 -1.7886181 0.0409948 0.0085813 0.2471651 -2.7724566 30 O -1.7881358 -0.1573518 -0.1310435 -0.1484770 -1.7886181 -0.0409948 0.0085813 -0.2471651 -2.7724566 31 O -1.7881358 0.1573518 0.1310435 0.1484770 -1.7886181 -0.0409948 -0.0085813 -0.2471651 -2.7724566 32 O -1.7881358 -0.1573518 0.1310435 -0.1484770 -1.7886181 0.0409948 -0.0085813 0.2471651 -2.7724566 33 O -1.7881358 0.1573518 -0.1310435 0.1484770 -1.7886181 0.0409948 0.0085813 0.2471651 -2.7724566 34 O -1.7881358 -0.1573518 -0.1310435 -0.1484770 -1.7886181 -0.0409948 0.0085813 -0.2471651 -2.7724566 35 O -1.7881358 0.1573518 0.1310435 0.1484770 -1.7886181 -0.0409948 -0.0085813 -0.2471651 -2.7724566 36 O -2.0636763 -0.0386931 0.2008213 0.1138146 -1.8651667 0.2735809 0.0332493 0.4982469 -2.7029023 37 La 5.1172993 0.1849206 0.0762158 -0.2565228 4.3482300 -0.6580363 0.1125309 -0.5889088 3.4397611 38 La 5.1172993 -0.1849206 0.0762158 0.2565228 4.3482300 0.6580363 0.1125309 0.5889088 3.4397611 39 La 5.1172993 0.1849206 -0.0762158 -0.2565228 4.3482300 0.6580363 -0.1125309 0.5889088 3.4397611 40 La 5.1172993 -0.1849206 -0.0762158 0.2565228 4.3482300 -0.6580363 -0.1125309 -0.5889088 3.4397611 41 La 5.1172993 0.1849206 0.0762158 -0.2565228 4.3482300 -0.6580363 0.1125309 -0.5889088 3.4397611 42 La 5.1172993 -0.1849206 0.0762158 0.2565228 4.3482300 0.6580363 0.1125309 0.5889088 3.4397611 43 La 5.1172993 0.1849206 -0.0762158 -0.2565228 4.3482300 0.6580363 -0.1125309 0.5889088 3.4397611 44 La 5.1172993 -0.1849206 -0.0762158 0.2565228 4.3482300 -0.6580363 -0.1125309 -0.5889088 3.4397611 45 La 3.5042540 0.4491573 0.0838137 0.5286407 4.2771017 0.2568700 0.1671465 -0.2446985 5.1806647 46 La 3.5042540 -0.4491573 0.0838137 -0.5286407 4.2771017 -0.2568700 0.1671465 0.2446985 5.1806647 47 La 3.5042540 0.4491573 -0.0838137 0.5286407 4.2771017 -0.2568700 -0.1671465 0.2446985 5.1806647 48 La 3.5042540 -0.4491573 -0.0838137 -0.5286407 4.2771017 0.2568700 -0.1671465 -0.2446985 5.1806647 49 La 3.5042540 0.4491573 0.0838137 0.5286407 4.2771017 0.2568700 0.1671465 -0.2446985 5.1806647 50 La 3.5042540 -0.4491573 0.0838137 -0.5286407 4.2771017 -0.2568700 0.1671465 0.2446985 5.1806647 51 La 3.5042540 0.4491573 -0.0838137 0.5286407 4.2771017 -0.2568700 -0.1671465 0.2446985 5.1806647 52 La 3.5042540 -0.4491573 -0.0838137 -0.5286407 4.2771017 0.2568700 -0.1671465 -0.2446985 5.1806647 53 Au 2.1287129 0.1042628 -0.0031431 0.1523157 0.0596265 0.2528014 0.0060591 0.3099120 2.2386743 54 Au 2.1287129 -0.1042628 -0.0031431 -0.1523157 0.0596265 -0.2528014 0.0060591 -0.3099120 2.2386743 55 Au 2.1287129 0.1042628 0.0031431 0.1523157 0.0596265 -0.2528014 -0.0060591 -0.3099120 2.2386743 56 Au 2.1287129 -0.1042628 0.0031431 -0.1523157 0.0596265 0.2528014 -0.0060591 0.3099120 2.2386743 57 Au 2.1287129 0.1042628 -0.0031431 0.1523157 0.0596265 0.2528014 0.0060591 0.3099120 2.2386743 58 Au 2.1287129 -0.1042628 -0.0031431 -0.1523157 0.0596265 -0.2528014 0.0060591 -0.3099120 2.2386743 59 Au 2.1287129 0.1042628 0.0031431 0.1523157 0.0596265 -0.2528014 -0.0060591 -0.3099120 2.2386743 60 Au 2.1287129 -0.1042628 0.0031431 -0.1523157 0.0596265 0.2528014 -0.0060591 0.3099120 2.2386743 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 4 ] 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: 0.43, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.295 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.943 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 10.961 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.191 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 12.040 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.827 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 13.072 ( 0.000 0.000 0.000) 0.000 13.289 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.548 ( 0.000 0.000 0.000) 0.000 13.565 ( 0.000 0.000 0.000) 0.000 13.859 ( 0.000 0.000 0.000) 0.000 14.091 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.629 ( 0.000 0.000 0.000) 0.000 15.645 ( 0.000 0.000 0.000) 0.000 15.703 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 15.899 ( 0.000 0.000 0.000) 0.000 15.985 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.377 ( 0.000 0.000 0.000) 0.000 16.479 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.113 ( 0.000 0.000 0.000) 0.000 17.130 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.482 ( 0.000 0.000 0.000) 0.000 17.588 ( 0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 17.736 ( 0.000 0.000 0.000) 0.000 17.803 ( 0.000 0.000 0.000) 0.000 18.024 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.266 ( 0.000 0.000 0.000) 0.000 18.283 ( 0.000 0.000 0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 18.917 ( 0.000 0.000 0.000) 0.000 18.983 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 22.371 0.000 0.000) 22.371 0.468 ( 23.258 0.000 0.000) 23.258 1.053 ( 48.034 0.000 0.000) 48.034 1.382 ( -19.216 0.000 0.000) 19.216 1.502 ( -24.164 0.000 0.000) 24.164 1.717 ( 15.001 0.000 0.000) 15.001 1.956 ( 2.906 0.000 0.000) 2.906 2.028 ( 2.980 0.000 0.000) 2.980 2.063 ( 4.397 0.000 0.000) 4.397 2.141 ( 0.813 0.000 0.000) 0.813 2.255 ( -2.412 0.000 0.000) 2.412 2.267 ( -5.918 0.000 0.000) 5.918 2.345 ( -7.001 0.000 0.000) 7.001 2.409 ( 4.475 0.000 0.000) 4.475 2.414 ( -5.239 0.000 0.000) 5.239 2.484 ( -4.564 0.000 0.000) 4.564 2.503 ( 13.063 0.000 0.000) 13.063 2.503 ( 1.885 0.000 0.000) 1.885 2.605 ( -15.396 0.000 0.000) 15.396 2.737 ( -8.098 0.000 0.000) 8.098 2.797 ( 11.398 0.000 0.000) 11.398 2.831 ( -0.046 0.000 0.000) 0.046 2.839 ( 6.346 0.000 0.000) 6.346 2.944 ( -12.497 0.000 0.000) 12.497 2.967 ( -1.138 0.000 0.000) 1.138 3.007 ( 8.657 0.000 0.000) 8.657 3.064 ( -9.122 0.000 0.000) 9.122 3.065 ( 4.628 0.000 0.000) 4.628 3.105 ( 1.029 0.000 0.000) 1.029 3.110 ( 6.859 0.000 0.000) 6.859 3.166 ( 6.346 0.000 0.000) 6.346 3.171 ( 0.507 0.000 0.000) 0.507 3.212 ( 7.849 0.000 0.000) 7.849 3.215 ( -3.377 0.000 0.000) 3.377 3.309 ( -8.328 0.000 0.000) 8.328 3.346 ( -2.193 0.000 0.000) 2.193 3.431 ( 3.118 0.000 0.000) 3.118 3.545 ( -0.877 0.000 0.000) 0.877 3.570 ( -5.785 0.000 0.000) 5.785 3.584 ( -1.824 0.000 0.000) 1.824 3.610 ( 0.009 0.000 0.000) 0.009 3.681 ( -1.291 0.000 0.000) 1.291 3.684 ( -1.616 0.000 0.000) 1.616 3.764 ( 7.317 0.000 0.000) 7.317 3.772 ( -10.449 0.000 0.000) 10.449 3.811 ( 2.461 0.000 0.000) 2.461 3.928 ( -5.007 0.000 0.000) 5.007 4.022 ( 4.899 0.000 0.000) 4.899 4.022 ( -4.938 0.000 0.000) 4.938 4.032 ( -0.658 0.000 0.000) 0.658 4.045 ( -4.027 0.000 0.000) 4.027 4.108 ( 9.128 0.000 0.000) 9.128 4.185 ( 4.462 0.000 0.000) 4.462 4.257 ( -2.566 0.000 0.000) 2.566 4.270 ( -4.959 0.000 0.000) 4.959 4.464 ( 5.008 0.000 0.000) 5.008 4.596 ( -4.614 0.000 0.000) 4.614 4.737 ( -7.703 0.000 0.000) 7.703 4.772 ( 7.302 0.000 0.000) 7.302 4.860 ( -5.794 0.000 0.000) 5.794 4.872 ( 4.026 0.000 0.000) 4.026 4.873 ( 0.789 0.000 0.000) 0.789 5.010 ( -4.090 0.000 0.000) 4.090 5.109 ( -4.394 0.000 0.000) 4.394 5.119 ( 9.921 0.000 0.000) 9.921 5.170 ( 4.875 0.000 0.000) 4.875 5.422 ( -3.476 0.000 0.000) 3.476 5.496 ( -5.810 0.000 0.000) 5.810 5.614 ( 4.158 0.000 0.000) 4.158 5.758 ( -1.835 0.000 0.000) 1.835 5.825 ( 11.442 0.000 0.000) 11.442 6.246 ( -6.262 0.000 0.000) 6.262 6.660 ( 0.187 0.000 0.000) 0.187 6.669 ( 3.777 0.000 0.000) 3.777 6.693 ( -1.835 0.000 0.000) 1.835 6.888 ( -4.721 0.000 0.000) 4.721 6.910 ( 6.123 0.000 0.000) 6.123 7.171 ( -4.236 0.000 0.000) 4.236 7.232 ( 0.380 0.000 0.000) 0.380 7.234 ( 0.711 0.000 0.000) 0.711 7.564 ( -0.824 0.000 0.000) 0.824 7.636 ( -5.048 0.000 0.000) 5.048 7.822 ( 0.386 0.000 0.000) 0.386 7.862 ( 2.795 0.000 0.000) 2.795 7.924 ( 0.900 0.000 0.000) 0.900 7.935 ( 1.449 0.000 0.000) 1.449 7.941 ( 0.852 0.000 0.000) 0.852 7.998 ( -4.682 0.000 0.000) 4.682 8.084 ( 7.338 0.000 0.000) 7.338 8.144 ( -2.216 0.000 0.000) 2.216 8.147 ( -0.374 0.000 0.000) 0.374 8.229 ( -5.173 0.000 0.000) 5.173 8.298 ( 2.585 0.000 0.000) 2.585 8.315 ( 2.489 0.000 0.000) 2.489 8.417 ( -5.771 0.000 0.000) 5.771 8.559 ( -3.276 0.000 0.000) 3.276 8.587 ( -0.002 0.000 0.000) 0.002 8.597 ( -0.082 0.000 0.000) 0.082 8.659 ( 3.401 0.000 0.000) 3.401 8.720 ( 7.686 0.000 0.000) 7.686 8.740 ( -0.490 0.000 0.000) 0.490 8.918 ( 0.276 0.000 0.000) 0.276 9.002 ( 1.210 0.000 0.000) 1.210 9.051 ( -1.051 0.000 0.000) 1.051 9.057 ( 0.698 0.000 0.000) 0.698 9.157 ( -0.663 0.000 0.000) 0.663 9.241 ( -0.389 0.000 0.000) 0.389 9.317 ( 0.745 0.000 0.000) 0.745 9.323 ( -11.337 0.000 0.000) 11.337 9.349 ( 11.228 0.000 0.000) 11.228 9.374 ( -0.361 0.000 0.000) 0.361 9.657 ( -8.079 0.000 0.000) 8.079 9.700 ( 3.962 0.000 0.000) 3.962 9.701 ( -2.928 0.000 0.000) 2.928 9.802 ( -9.904 0.000 0.000) 9.904 9.810 ( 4.493 0.000 0.000) 4.493 10.047 ( -0.301 0.000 0.000) 0.301 10.141 ( -3.235 0.000 0.000) 3.235 10.237 ( 3.968 0.000 0.000) 3.968 10.333 ( -3.689 0.000 0.000) 3.689 10.428 ( -0.994 0.000 0.000) 0.994 10.567 ( 7.232 0.000 0.000) 7.232 10.613 ( -5.751 0.000 0.000) 5.751 10.635 ( 4.735 0.000 0.000) 4.735 10.780 ( 6.603 0.000 0.000) 6.603 10.878 ( -5.127 0.000 0.000) 5.127 10.896 ( -5.716 0.000 0.000) 5.716 10.941 ( -1.478 0.000 0.000) 1.478 10.987 ( 2.698 0.000 0.000) 2.698 11.065 ( -0.706 0.000 0.000) 0.706 11.196 ( 0.296 0.000 0.000) 0.296 11.201 ( 0.584 0.000 0.000) 0.584 11.686 ( 9.672 0.000 0.000) 9.672 12.090 ( 9.905 0.000 0.000) 9.905 12.136 ( -7.308 0.000 0.000) 7.308 12.224 ( 21.478 0.000 0.000) 21.478 12.513 ( -7.975 0.000 0.000) 7.975 12.840 ( 0.238 0.000 0.000) 0.238 12.970 ( 3.550 0.000 0.000) 3.550 13.254 ( -2.602 0.000 0.000) 2.602 13.281 ( -6.894 0.000 0.000) 6.894 13.462 ( 8.509 0.000 0.000) 8.509 13.509 ( -8.129 0.000 0.000) 8.129 13.794 ( -5.471 0.000 0.000) 5.471 14.040 ( 2.165 0.000 0.000) 2.165 14.054 ( -8.758 0.000 0.000) 8.758 14.090 ( -0.232 0.000 0.000) 0.232 14.100 ( -3.989 0.000 0.000) 3.989 15.108 ( 0.045 0.000 0.000) 0.045 15.124 ( -0.821 0.000 0.000) 0.821 15.177 ( -0.183 0.000 0.000) 0.183 15.193 ( -1.837 0.000 0.000) 1.837 15.264 ( 2.628 0.000 0.000) 2.628 15.417 ( -3.993 0.000 0.000) 3.993 15.499 ( 10.043 0.000 0.000) 10.043 15.654 ( 2.145 0.000 0.000) 2.145 15.703 ( -0.264 0.000 0.000) 0.264 15.722 ( 6.084 0.000 0.000) 6.084 15.853 ( -4.571 0.000 0.000) 4.571 16.009 ( -5.702 0.000 0.000) 5.702 16.023 ( 3.842 0.000 0.000) 3.842 16.337 ( -9.951 0.000 0.000) 9.951 16.420 ( 3.519 0.000 0.000) 3.519 16.566 ( -2.441 0.000 0.000) 2.441 17.159 ( 4.069 0.000 0.000) 4.069 17.219 ( 13.437 0.000 0.000) 13.437 17.358 ( -4.111 0.000 0.000) 4.111 17.528 ( 3.175 0.000 0.000) 3.175 17.622 ( 2.832 0.000 0.000) 2.832 17.645 ( -5.296 0.000 0.000) 5.296 17.661 ( -2.428 0.000 0.000) 2.428 17.727 ( -1.220 0.000 0.000) 1.220 17.861 ( 5.623 0.000 0.000) 5.623 18.173 ( 1.669 0.000 0.000) 1.669 18.207 ( -6.920 0.000 0.000) 6.920 18.251 ( -1.347 0.000 0.000) 1.347 18.611 ( 0.129 0.000 0.000) 0.129 18.626 ( -0.416 0.000 0.000) 0.416 18.916 ( 0.072 0.000 0.000) 0.072 18.963 ( -1.703 0.000 0.000) 1.703 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -21.948 0.000 0.000) 21.948 0.929 ( 21.948 0.000 0.000) 21.948 0.974 ( -25.250 0.000 0.000) 25.250 0.974 ( 25.250 0.000 0.000) 25.250 1.978 ( -26.683 0.000 0.000) 26.683 1.978 ( 26.683 0.000 0.000) 26.683 2.051 ( -9.263 0.000 0.000) 9.263 2.051 ( 9.263 0.000 0.000) 9.263 2.078 ( -6.950 0.000 0.000) 6.950 2.078 ( 6.950 0.000 0.000) 6.950 2.162 ( -5.020 0.000 0.000) 5.020 2.162 ( 5.020 0.000 0.000) 5.020 2.191 ( -1.749 0.000 0.000) 1.749 2.191 ( 1.749 0.000 0.000) 1.749 2.373 ( -3.617 0.000 0.000) 3.617 2.373 ( 3.617 0.000 0.000) 3.617 2.522 ( -5.964 0.000 0.000) 5.964 2.522 ( 5.964 0.000 0.000) 5.964 2.679 ( -12.304 0.000 0.000) 12.304 2.679 ( 12.304 0.000 0.000) 12.304 2.735 ( -8.225 0.000 0.000) 8.225 2.735 ( 8.225 0.000 0.000) 8.225 2.936 ( -2.658 0.000 0.000) 2.658 2.936 ( 2.658 0.000 0.000) 2.658 3.005 ( -5.540 0.000 0.000) 5.540 3.005 ( 5.540 0.000 0.000) 5.540 3.124 ( -0.900 0.000 0.000) 0.900 3.124 ( 0.900 0.000 0.000) 0.900 3.130 ( -3.390 0.000 0.000) 3.390 3.130 ( 3.390 0.000 0.000) 3.390 3.179 ( -1.425 0.000 0.000) 1.425 3.179 ( 1.425 0.000 0.000) 1.425 3.246 ( -4.158 0.000 0.000) 4.158 3.246 ( 4.158 0.000 0.000) 4.158 3.372 ( -1.549 0.000 0.000) 1.549 3.372 ( 1.549 0.000 0.000) 1.549 3.432 ( -2.900 0.000 0.000) 2.900 3.432 ( 2.900 0.000 0.000) 2.900 3.532 ( -4.964 0.000 0.000) 4.964 3.532 ( 4.964 0.000 0.000) 4.964 3.618 ( -1.467 0.000 0.000) 1.467 3.618 ( 1.467 0.000 0.000) 1.467 3.652 ( -0.202 0.000 0.000) 0.202 3.652 ( 0.202 0.000 0.000) 0.202 3.841 ( -2.212 0.000 0.000) 2.212 3.841 ( 2.212 0.000 0.000) 2.212 3.928 ( -7.045 0.000 0.000) 7.045 3.928 ( 7.045 0.000 0.000) 7.045 4.014 ( -1.408 0.000 0.000) 1.408 4.014 ( 1.408 0.000 0.000) 1.408 4.138 ( -6.780 0.000 0.000) 6.780 4.138 ( 6.780 0.000 0.000) 6.780 4.224 ( -0.381 0.000 0.000) 0.381 4.224 ( 0.381 0.000 0.000) 0.381 4.375 ( -13.841 0.000 0.000) 13.841 4.375 ( 13.841 0.000 0.000) 13.841 4.577 ( -6.495 0.000 0.000) 6.495 4.577 ( 6.495 0.000 0.000) 6.495 4.862 ( -2.917 0.000 0.000) 2.917 4.862 ( 2.917 0.000 0.000) 2.917 4.924 ( -3.638 0.000 0.000) 3.638 4.924 ( 3.638 0.000 0.000) 3.638 4.953 ( -9.135 0.000 0.000) 9.135 4.953 ( 9.135 0.000 0.000) 9.135 5.308 ( -7.510 0.000 0.000) 7.510 5.308 ( 7.510 0.000 0.000) 7.510 5.341 ( -9.138 0.000 0.000) 9.138 5.341 ( 9.138 0.000 0.000) 9.138 5.700 ( -3.676 0.000 0.000) 3.676 5.700 ( 3.676 0.000 0.000) 3.676 6.065 ( -10.713 0.000 0.000) 10.713 6.065 ( 10.713 0.000 0.000) 10.713 6.668 ( -0.639 0.000 0.000) 0.639 6.668 ( 0.639 0.000 0.000) 0.639 6.773 ( -5.771 0.000 0.000) 5.771 6.773 ( 5.771 0.000 0.000) 5.771 7.050 ( -6.841 0.000 0.000) 6.841 7.050 ( 6.841 0.000 0.000) 6.841 7.240 ( -0.157 0.000 0.000) 0.157 7.240 ( 0.157 0.000 0.000) 0.157 7.564 ( -1.477 0.000 0.000) 1.477 7.564 ( 1.477 0.000 0.000) 1.477 7.871 ( -4.233 0.000 0.000) 4.233 7.871 ( 4.233 0.000 0.000) 4.233 7.926 ( -1.825 0.000 0.000) 1.825 7.926 ( 1.825 0.000 0.000) 1.825 7.963 ( -0.990 0.000 0.000) 0.990 7.963 ( 0.990 0.000 0.000) 0.990 8.106 ( -1.624 0.000 0.000) 1.624 8.106 ( 1.624 0.000 0.000) 1.624 8.191 ( -0.535 0.000 0.000) 0.535 8.191 ( 0.535 0.000 0.000) 0.535 8.335 ( -0.625 0.000 0.000) 0.625 8.335 ( 0.625 0.000 0.000) 0.625 8.426 ( -7.491 0.000 0.000) 7.491 8.426 ( 7.491 0.000 0.000) 7.491 8.592 ( -0.361 0.000 0.000) 0.361 8.592 ( 0.361 0.000 0.000) 0.361 8.715 ( -2.084 0.000 0.000) 2.084 8.715 ( 2.084 0.000 0.000) 2.084 8.884 ( -5.038 0.000 0.000) 5.038 8.884 ( 5.038 0.000 0.000) 5.038 9.028 ( -1.276 0.000 0.000) 1.276 9.028 ( 1.276 0.000 0.000) 1.276 9.131 ( -7.524 0.000 0.000) 7.524 9.131 ( 7.524 0.000 0.000) 7.524 9.171 ( -3.076 0.000 0.000) 3.076 9.171 ( 3.076 0.000 0.000) 3.076 9.351 ( -1.960 0.000 0.000) 1.960 9.351 ( 1.960 0.000 0.000) 1.960 9.579 ( -9.127 0.000 0.000) 9.127 9.579 ( 9.127 0.000 0.000) 9.127 9.620 ( -5.502 0.000 0.000) 5.502 9.620 ( 5.502 0.000 0.000) 5.502 9.796 ( -4.409 0.000 0.000) 4.409 9.796 ( 4.409 0.000 0.000) 4.409 10.072 ( -2.794 0.000 0.000) 2.794 10.072 ( 2.794 0.000 0.000) 2.794 10.292 ( -1.518 0.000 0.000) 1.518 10.292 ( 1.518 0.000 0.000) 1.518 10.481 ( -5.694 0.000 0.000) 5.694 10.481 ( 5.694 0.000 0.000) 5.694 10.742 ( -8.631 0.000 0.000) 8.631 10.742 ( 8.631 0.000 0.000) 8.631 10.755 ( -6.290 0.000 0.000) 6.290 10.755 ( 6.290 0.000 0.000) 6.290 10.887 ( -3.763 0.000 0.000) 3.763 10.887 ( 3.763 0.000 0.000) 3.763 11.038 ( -1.950 0.000 0.000) 1.950 11.038 ( 1.950 0.000 0.000) 1.950 11.203 ( -0.311 0.000 0.000) 0.311 11.203 ( 0.311 0.000 0.000) 0.311 11.924 ( -11.981 0.000 0.000) 11.981 11.924 ( 11.981 0.000 0.000) 11.981 12.307 ( -10.939 0.000 0.000) 10.939 12.307 ( 10.939 0.000 0.000) 10.939 12.711 ( -17.425 0.000 0.000) 17.425 12.711 ( 17.425 0.000 0.000) 17.425 13.107 ( -8.686 0.000 0.000) 8.686 13.107 ( 8.686 0.000 0.000) 8.686 13.265 ( -7.385 0.000 0.000) 7.385 13.265 ( 7.385 0.000 0.000) 7.385 13.647 ( -8.426 0.000 0.000) 8.426 13.647 ( 8.426 0.000 0.000) 8.426 14.011 ( -3.238 0.000 0.000) 3.238 14.011 ( 3.238 0.000 0.000) 3.238 14.076 ( -1.179 0.000 0.000) 1.179 14.076 ( 1.179 0.000 0.000) 1.179 15.111 ( -0.366 0.000 0.000) 0.366 15.111 ( 0.366 0.000 0.000) 0.366 15.175 ( -0.153 0.000 0.000) 0.153 15.175 ( 0.153 0.000 0.000) 0.153 15.333 ( -3.830 0.000 0.000) 3.830 15.333 ( 3.830 0.000 0.000) 3.830 15.673 ( -3.953 0.000 0.000) 3.953 15.673 ( 3.953 0.000 0.000) 3.953 15.724 ( -6.308 0.000 0.000) 6.308 15.724 ( 6.308 0.000 0.000) 6.308 15.867 ( -7.384 0.000 0.000) 7.384 15.867 ( 7.384 0.000 0.000) 7.384 16.146 ( -7.843 0.000 0.000) 7.843 16.146 ( 7.843 0.000 0.000) 7.843 16.500 ( -3.742 0.000 0.000) 3.742 16.500 ( 3.742 0.000 0.000) 3.742 17.260 ( -5.103 0.000 0.000) 5.103 17.260 ( 5.103 0.000 0.000) 5.103 17.481 ( -10.579 0.000 0.000) 10.579 17.481 ( 10.579 0.000 0.000) 10.579 17.598 ( -3.403 0.000 0.000) 3.403 17.598 ( 3.403 0.000 0.000) 3.403 17.684 ( -2.752 0.000 0.000) 2.752 17.684 ( 2.752 0.000 0.000) 2.752 18.026 ( -9.447 0.000 0.000) 9.447 18.026 ( 9.447 0.000 0.000) 9.447 18.214 ( -2.085 0.000 0.000) 2.085 18.214 ( 2.085 0.000 0.000) 2.085 18.617 ( -0.408 0.000 0.000) 0.408 18.617 ( 0.408 0.000 0.000) 0.408 18.929 ( -1.243 0.000 0.000) 1.243 18.929 ( 1.243 0.000 0.000) 1.243 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 22.904 0.000) 22.904 0.462 ( 0.000 22.845 0.000) 22.845 0.875 ( 0.000 42.652 0.000) 42.652 1.557 ( 0.000 3.462 0.000) 3.462 1.706 ( 0.000 2.607 0.000) 2.607 1.921 ( 0.000 1.650 0.000) 1.650 1.956 ( 0.000 2.369 0.000) 2.369 1.977 ( 0.000 -0.752 0.000) 0.752 1.979 ( 0.000 -2.316 0.000) 2.316 2.052 ( 0.000 3.837 0.000) 3.837 2.103 ( 0.000 -5.046 0.000) 5.046 2.282 ( 0.000 -2.280 0.000) 2.280 2.324 ( 0.000 -3.337 0.000) 3.337 2.336 ( 0.000 -4.009 0.000) 4.009 2.438 ( 0.000 -2.965 0.000) 2.965 2.478 ( 0.000 -6.185 0.000) 6.185 2.525 ( 0.000 2.307 0.000) 2.307 2.566 ( 0.000 5.316 0.000) 5.316 2.616 ( 0.000 -0.923 0.000) 0.923 2.765 ( 0.000 1.925 0.000) 1.925 2.787 ( 0.000 3.847 0.000) 3.847 2.844 ( 0.000 4.819 0.000) 4.819 2.859 ( 0.000 -2.798 0.000) 2.798 2.920 ( 0.000 -2.139 0.000) 2.139 2.957 ( 0.000 -5.208 0.000) 5.208 2.960 ( 0.000 2.709 0.000) 2.709 3.013 ( 0.000 -0.904 0.000) 0.904 3.055 ( 0.000 -1.800 0.000) 1.800 3.071 ( 0.000 -2.631 0.000) 2.631 3.124 ( 0.000 -2.745 0.000) 2.745 3.126 ( 0.000 -0.208 0.000) 0.208 3.217 ( 0.000 -3.732 0.000) 3.732 3.232 ( 0.000 -3.351 0.000) 3.351 3.269 ( 0.000 2.036 0.000) 2.036 3.369 ( 0.000 -4.004 0.000) 4.004 3.399 ( 0.000 3.138 0.000) 3.138 3.537 ( 0.000 -4.051 0.000) 4.051 3.562 ( 0.000 -0.356 0.000) 0.356 3.574 ( 0.000 2.185 0.000) 2.185 3.617 ( 0.000 -7.781 0.000) 7.781 3.646 ( 0.000 3.135 0.000) 3.135 3.682 ( 0.000 -2.011 0.000) 2.011 3.686 ( 0.000 2.389 0.000) 2.389 3.703 ( 0.000 -0.269 0.000) 0.269 3.792 ( 0.000 -1.017 0.000) 1.017 3.827 ( 0.000 3.023 0.000) 3.023 3.847 ( 0.000 -6.650 0.000) 6.650 3.860 ( 0.000 -14.177 0.000) 14.177 3.897 ( 0.000 -7.655 0.000) 7.655 4.081 ( 0.000 1.940 0.000) 1.940 4.095 ( 0.000 4.061 0.000) 4.061 4.177 ( 0.000 1.826 0.000) 1.826 4.194 ( 0.000 5.767 0.000) 5.767 4.345 ( 0.000 1.843 0.000) 1.843 4.364 ( 0.000 -0.556 0.000) 0.556 4.417 ( 0.000 3.161 0.000) 3.161 4.524 ( 0.000 -9.461 0.000) 9.461 4.610 ( 0.000 0.013 0.000) 0.013 4.713 ( 0.000 3.402 0.000) 3.402 4.827 ( 0.000 4.305 0.000) 4.305 4.856 ( 0.000 -4.371 0.000) 4.371 4.900 ( 0.000 2.808 0.000) 2.808 4.981 ( 0.000 1.159 0.000) 1.159 5.049 ( 0.000 -5.159 0.000) 5.159 5.129 ( 0.000 5.759 0.000) 5.759 5.134 ( 0.000 0.133 0.000) 0.133 5.181 ( 0.000 2.546 0.000) 2.546 5.406 ( 0.000 -5.704 0.000) 5.704 5.545 ( 0.000 -1.944 0.000) 1.944 5.687 ( 0.000 3.639 0.000) 3.639 5.800 ( 0.000 2.161 0.000) 2.161 6.206 ( 0.000 -9.667 0.000) 9.667 6.768 ( 0.000 10.638 0.000) 10.638 6.802 ( 0.000 15.028 0.000) 15.028 6.851 ( 0.000 6.443 0.000) 6.443 6.857 ( 0.000 11.856 0.000) 11.856 7.005 ( 0.000 6.576 0.000) 6.576 7.234 ( 0.000 1.981 0.000) 1.981 7.247 ( 0.000 1.820 0.000) 1.820 7.324 ( 0.000 0.644 0.000) 0.644 7.573 ( 0.000 -0.123 0.000) 0.123 7.691 ( 0.000 -1.824 0.000) 1.824 7.811 ( 0.000 -1.516 0.000) 1.516 7.829 ( 0.000 2.250 0.000) 2.250 7.896 ( 0.000 -3.178 0.000) 3.178 7.901 ( 0.000 -1.516 0.000) 1.516 7.914 ( 0.000 -0.127 0.000) 0.127 7.947 ( 0.000 -3.763 0.000) 3.763 8.028 ( 0.000 -3.833 0.000) 3.833 8.148 ( 0.000 -0.791 0.000) 0.791 8.150 ( 0.000 -1.604 0.000) 1.604 8.208 ( 0.000 -5.885 0.000) 5.885 8.288 ( 0.000 -0.552 0.000) 0.552 8.316 ( 0.000 3.617 0.000) 3.617 8.571 ( 0.000 -0.702 0.000) 0.702 8.577 ( 0.000 3.272 0.000) 3.272 8.604 ( 0.000 1.902 0.000) 1.902 8.654 ( 0.000 4.765 0.000) 4.765 8.660 ( 0.000 2.430 0.000) 2.430 8.768 ( 0.000 1.849 0.000) 1.849 8.803 ( 0.000 0.729 0.000) 0.729 8.957 ( 0.000 -0.962 0.000) 0.962 9.064 ( 0.000 -0.926 0.000) 0.926 9.122 ( 0.000 5.583 0.000) 5.583 9.126 ( 0.000 -5.979 0.000) 5.979 9.188 ( 0.000 2.044 0.000) 2.044 9.203 ( 0.000 -2.741 0.000) 2.741 9.327 ( 0.000 3.256 0.000) 3.256 9.376 ( 0.000 0.006 0.000) 0.006 9.458 ( 0.000 -0.970 0.000) 0.970 9.509 ( 0.000 -3.254 0.000) 3.254 9.623 ( 0.000 -2.556 0.000) 2.556 9.696 ( 0.000 -4.707 0.000) 4.707 9.706 ( 0.000 -5.825 0.000) 5.825 9.868 ( 0.000 -5.624 0.000) 5.624 10.079 ( 0.000 1.672 0.000) 1.672 10.122 ( 0.000 -3.662 0.000) 3.662 10.196 ( 0.000 2.597 0.000) 2.597 10.335 ( 0.000 -5.316 0.000) 5.316 10.422 ( 0.000 -3.679 0.000) 3.679 10.485 ( 0.000 2.253 0.000) 2.253 10.500 ( 0.000 1.246 0.000) 1.246 10.515 ( 0.000 -5.985 0.000) 5.985 10.628 ( 0.000 3.802 0.000) 3.802 10.673 ( 0.000 -1.351 0.000) 1.351 10.815 ( 0.000 -6.336 0.000) 6.336 10.941 ( 0.000 -1.040 0.000) 1.040 10.961 ( 0.000 -0.122 0.000) 0.122 11.005 ( 0.000 0.389 0.000) 0.389 11.083 ( 0.000 -0.527 0.000) 0.527 11.196 ( 0.000 0.673 0.000) 0.673 11.262 ( 0.000 5.904 0.000) 5.904 11.963 ( 0.000 4.628 0.000) 4.628 12.047 ( 0.000 3.789 0.000) 3.789 12.245 ( 0.000 3.563 0.000) 3.563 12.543 ( 0.000 -5.024 0.000) 5.024 12.857 ( 0.000 2.477 0.000) 2.477 13.001 ( 0.000 4.250 0.000) 4.250 13.097 ( 0.000 2.294 0.000) 2.294 13.147 ( 0.000 -3.473 0.000) 3.473 13.279 ( 0.000 -6.252 0.000) 6.252 13.471 ( 0.000 -3.503 0.000) 3.503 13.526 ( 0.000 -1.997 0.000) 1.997 13.595 ( 0.000 2.278 0.000) 2.278 13.848 ( 0.000 -1.122 0.000) 1.122 13.989 ( 0.000 -7.890 0.000) 7.890 14.154 ( 0.000 0.824 0.000) 0.824 14.251 ( 0.000 2.600 0.000) 2.600 15.109 ( 0.000 0.191 0.000) 0.191 15.138 ( 0.000 0.272 0.000) 0.272 15.180 ( 0.000 1.382 0.000) 1.382 15.249 ( 0.000 1.662 0.000) 1.662 15.250 ( 0.000 4.736 0.000) 4.736 15.265 ( 0.000 1.914 0.000) 1.914 15.377 ( 0.000 2.971 0.000) 2.971 15.685 ( 0.000 1.373 0.000) 1.373 15.699 ( 0.000 6.470 0.000) 6.470 15.728 ( 0.000 -1.270 0.000) 1.270 15.756 ( 0.000 6.888 0.000) 6.888 15.925 ( 0.000 -0.059 0.000) 0.059 16.009 ( 0.000 2.217 0.000) 2.217 16.011 ( 0.000 -6.141 0.000) 6.141 16.383 ( 0.000 0.565 0.000) 0.565 16.417 ( 0.000 -5.625 0.000) 5.625 17.043 ( 0.000 0.888 0.000) 0.888 17.114 ( 0.000 0.233 0.000) 0.233 17.138 ( 0.000 0.727 0.000) 0.727 17.386 ( 0.000 -2.581 0.000) 2.581 17.474 ( 0.000 -0.802 0.000) 0.802 17.581 ( 0.000 -0.637 0.000) 0.637 17.705 ( 0.000 0.047 0.000) 0.047 17.786 ( 0.000 -4.155 0.000) 4.155 17.818 ( 0.000 1.600 0.000) 1.600 18.026 ( 0.000 0.247 0.000) 0.247 18.141 ( 0.000 -1.285 0.000) 1.285 18.252 ( 0.000 -1.428 0.000) 1.428 18.257 ( 0.000 -2.331 0.000) 2.331 18.561 ( 0.000 -6.645 0.000) 6.645 18.855 ( 0.000 -5.995 0.000) 5.995 18.904 ( 0.000 -7.740 0.000) 7.740 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 15.256 15.340 0.000) 21.635 0.738 ( 15.614 19.088 0.000) 24.661 1.293 ( 31.943 21.967 0.000) 38.767 1.432 ( -14.186 5.505 0.000) 15.217 1.548 ( -21.780 4.688 0.000) 22.279 1.739 ( 14.875 2.349 0.000) 15.060 1.973 ( 2.415 1.441 0.000) 2.812 2.027 ( 4.403 -1.857 0.000) 4.778 2.066 ( 3.910 1.936 0.000) 4.363 2.154 ( 1.022 1.227 0.000) 1.597 2.218 ( -1.263 -3.075 0.000) 3.324 2.252 ( -3.168 -3.773 0.000) 4.927 2.255 ( -4.347 -1.176 0.000) 4.504 2.368 ( -1.501 -3.778 0.000) 4.065 2.454 ( 4.152 -3.096 0.000) 5.179 2.471 ( 6.116 -1.159 0.000) 6.225 2.496 ( -3.599 3.842 0.000) 5.264 2.511 ( -2.717 1.789 0.000) 3.253 2.607 ( -11.709 0.007 0.000) 11.709 2.782 ( 0.371 -0.773 0.000) 0.858 2.785 ( 7.191 0.385 0.000) 7.201 2.809 ( 3.622 -2.446 0.000) 4.371 2.875 ( -0.404 1.450 0.000) 1.505 2.946 ( -0.412 -2.913 0.000) 2.942 2.960 ( -8.545 1.751 0.000) 8.722 2.984 ( -2.047 -0.812 0.000) 2.202 3.065 ( 0.232 -4.080 0.000) 4.086 3.088 ( 6.233 -0.891 0.000) 6.296 3.090 ( -6.226 2.555 0.000) 6.730 3.128 ( 2.777 -2.373 0.000) 3.653 3.145 ( 3.322 -1.605 0.000) 3.690 3.169 ( 4.730 4.029 0.000) 6.213 3.199 ( -1.721 -2.312 0.000) 2.882 3.241 ( 4.230 0.679 0.000) 4.284 3.297 ( -6.166 -1.369 0.000) 6.317 3.351 ( -2.926 0.442 0.000) 2.959 3.431 ( -1.472 1.857 0.000) 2.370 3.535 ( -0.969 -4.659 0.000) 4.759 3.550 ( -4.546 -0.350 0.000) 4.559 3.574 ( -4.106 -0.962 0.000) 4.217 3.623 ( -3.232 -2.068 0.000) 3.837 3.674 ( -1.932 -1.149 0.000) 2.248 3.712 ( -2.470 -1.113 0.000) 2.709 3.712 ( 2.774 -1.736 0.000) 3.272 3.730 ( 1.516 1.283 0.000) 1.986 3.796 ( 1.668 -1.296 0.000) 2.113 3.858 ( -3.364 -6.397 0.000) 7.228 3.917 ( 0.340 -10.939 0.000) 10.944 3.917 ( 4.058 -2.465 0.000) 4.748 4.039 ( -2.832 2.083 0.000) 3.515 4.079 ( 1.069 1.708 0.000) 2.015 4.146 ( -0.167 4.039 0.000) 4.042 4.205 ( 0.337 4.785 0.000) 4.797 4.313 ( 3.153 3.661 0.000) 4.832 4.338 ( -6.347 0.391 0.000) 6.359 4.477 ( 3.328 0.332 0.000) 3.345 4.582 ( -4.242 -1.856 0.000) 4.631 4.644 ( -1.686 -7.095 0.000) 7.292 4.696 ( 3.279 -4.531 0.000) 5.593 4.885 ( -2.913 1.392 0.000) 3.228 4.914 ( 3.798 2.834 0.000) 4.739 4.937 ( 4.190 4.608 0.000) 6.228 5.009 ( -5.170 -1.478 0.000) 5.377 5.089 ( 8.926 -2.813 0.000) 9.359 5.131 ( -4.974 1.829 0.000) 5.300 5.147 ( 3.139 -1.292 0.000) 3.394 5.227 ( 7.976 -8.145 0.000) 11.400 5.374 ( -3.203 -5.358 0.000) 6.243 5.653 ( 5.808 2.464 0.000) 6.309 5.777 ( 8.815 -3.290 0.000) 9.409 5.787 ( -1.335 2.695 0.000) 3.007 6.147 ( -5.570 -9.224 0.000) 10.775 6.760 ( -0.197 10.156 0.000) 10.158 6.799 ( -2.064 9.422 0.000) 9.645 6.840 ( 3.043 14.191 0.000) 14.513 6.926 ( 2.249 6.967 0.000) 7.321 7.044 ( 3.012 8.339 0.000) 8.866 7.204 ( -2.776 3.357 0.000) 4.356 7.252 ( 0.302 1.833 0.000) 1.858 7.289 ( -2.149 2.450 0.000) 3.259 7.565 ( -0.512 0.226 0.000) 0.560 7.642 ( -3.959 0.039 0.000) 3.959 7.803 ( 0.240 -1.729 0.000) 1.746 7.856 ( 2.733 -0.426 0.000) 2.766 7.917 ( 1.278 -1.563 0.000) 2.019 7.924 ( 0.781 -1.257 0.000) 1.480 7.927 ( 0.953 -0.046 0.000) 0.954 7.963 ( -3.850 -3.518 0.000) 5.215 8.033 ( 5.632 -4.293 0.000) 7.081 8.142 ( 0.210 0.221 0.000) 0.305 8.148 ( 0.544 -0.058 0.000) 0.548 8.202 ( -4.548 -2.700 0.000) 5.289 8.298 ( 3.701 -1.691 0.000) 4.069 8.331 ( 1.482 2.053 0.000) 2.532 8.431 ( -6.548 1.304 0.000) 6.676 8.554 ( -4.303 -0.213 0.000) 4.309 8.629 ( 0.159 1.320 0.000) 1.329 8.664 ( 2.428 1.332 0.000) 2.770 8.712 ( 0.552 1.157 0.000) 1.282 8.779 ( -2.501 1.111 0.000) 2.737 8.805 ( 4.596 5.475 0.000) 7.149 8.982 ( 2.551 0.176 0.000) 2.557 8.988 ( -7.047 2.699 0.000) 7.546 9.118 ( -2.163 1.186 0.000) 2.466 9.128 ( 0.710 5.115 0.000) 5.165 9.207 ( 0.372 -1.409 0.000) 1.457 9.250 ( 6.093 -2.718 0.000) 6.671 9.318 ( -8.971 0.136 0.000) 8.972 9.348 ( 3.489 1.813 0.000) 3.932 9.382 ( -0.446 0.557 0.000) 0.714 9.430 ( -5.121 10.369 0.000) 11.565 9.591 ( -7.165 -5.209 0.000) 8.858 9.618 ( -4.772 -7.104 0.000) 8.558 9.778 ( -1.747 -3.255 0.000) 3.694 9.790 ( -0.822 -1.730 0.000) 1.916 9.851 ( -14.663 15.280 0.000) 21.178 10.035 ( -1.848 -0.729 0.000) 1.986 10.109 ( -3.093 -3.044 0.000) 4.340 10.254 ( 3.000 1.184 0.000) 3.225 10.341 ( -4.317 1.338 0.000) 4.520 10.403 ( 0.439 -2.070 0.000) 2.116 10.575 ( 6.532 0.598 0.000) 6.560 10.629 ( -5.778 1.016 0.000) 5.867 10.652 ( 4.477 1.244 0.000) 4.647 10.749 ( 8.086 -2.036 0.000) 8.338 10.831 ( -0.276 -3.133 0.000) 3.146 10.902 ( -5.151 0.431 0.000) 5.169 10.926 ( -1.077 -0.986 0.000) 1.460 11.009 ( 0.720 0.483 0.000) 0.867 11.063 ( -0.509 -0.411 0.000) 0.655 11.179 ( -0.560 -0.911 0.000) 1.069 11.239 ( -1.930 3.437 0.000) 3.942 11.919 ( -10.583 19.512 0.000) 22.197 12.130 ( 9.065 4.035 0.000) 9.922 12.152 ( -8.067 1.501 0.000) 8.206 12.248 ( 17.723 2.566 0.000) 17.908 12.513 ( -4.754 0.228 0.000) 4.759 12.851 ( -1.319 0.846 0.000) 1.568 12.985 ( 2.213 1.337 0.000) 2.586 13.202 ( -1.154 -4.655 0.000) 4.796 13.316 ( -7.453 2.966 0.000) 8.022 13.405 ( 9.148 -5.073 0.000) 10.460 13.508 ( -10.178 -0.475 0.000) 10.189 13.738 ( -5.485 -5.983 0.000) 8.117 13.961 ( 5.349 -4.515 0.000) 7.000 13.986 ( 0.145 -4.184 0.000) 4.187 14.135 ( -6.810 2.166 0.000) 7.146 14.146 ( -3.934 2.236 0.000) 4.526 15.108 ( -0.032 0.096 0.000) 0.101 15.124 ( -0.996 0.148 0.000) 1.007 15.226 ( -0.411 4.382 0.000) 4.402 15.230 ( -1.157 3.334 0.000) 3.529 15.285 ( 2.931 2.059 0.000) 3.582 15.414 ( -0.895 -0.926 0.000) 1.288 15.521 ( 9.765 1.961 0.000) 9.960 15.709 ( 2.322 0.794 0.000) 2.454 15.718 ( 1.614 5.956 0.000) 6.170 15.749 ( 2.371 2.324 0.000) 3.320 15.869 ( -3.077 1.464 0.000) 3.408 15.960 ( -4.400 -4.777 0.000) 6.495 16.017 ( 2.723 -0.225 0.000) 2.733 16.294 ( -8.733 -3.799 0.000) 9.524 16.378 ( 12.902 -15.009 0.000) 19.793 16.413 ( 2.079 -0.688 0.000) 2.190 17.156 ( 3.645 -0.272 0.000) 3.655 17.205 ( 12.365 -1.171 0.000) 12.420 17.337 ( -3.744 -1.943 0.000) 4.218 17.427 ( 12.089 -13.412 0.000) 18.057 17.502 ( 1.756 -2.324 0.000) 2.913 17.621 ( 3.289 -0.250 0.000) 3.299 17.639 ( -5.968 -1.403 0.000) 6.131 17.755 ( -2.425 -0.802 0.000) 2.554 17.871 ( 5.159 1.130 0.000) 5.282 18.154 ( 1.207 -1.992 0.000) 2.329 18.187 ( -4.654 -1.970 0.000) 5.054 18.237 ( -1.354 -1.432 0.000) 1.971 18.259 ( 13.875 -15.023 0.000) 20.450 18.541 ( -2.064 -7.903 0.000) 8.168 18.854 ( 0.033 -6.000 0.000) 6.000 18.888 ( -1.303 -7.237 0.000) 7.354 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -18.343 8.091 0.000) 20.048 1.015 ( 18.343 8.091 0.000) 20.048 1.106 ( -19.077 11.932 0.000) 22.501 1.106 ( 19.077 11.932 0.000) 22.501 2.019 ( -7.823 2.790 0.000) 8.305 2.019 ( 7.823 2.790 0.000) 8.305 2.046 ( -4.481 -0.291 0.000) 4.490 2.046 ( 4.481 -0.291 0.000) 4.490 2.131 ( -11.308 4.726 0.000) 12.256 2.131 ( 11.308 4.726 0.000) 12.256 2.148 ( -4.752 1.286 0.000) 4.923 2.148 ( 4.752 1.286 0.000) 4.923 2.229 ( -1.744 0.786 0.000) 1.913 2.229 ( 1.744 0.786 0.000) 1.913 2.330 ( -0.412 -0.835 0.000) 0.932 2.330 ( 0.412 -0.835 0.000) 0.932 2.530 ( -3.036 -0.294 0.000) 3.050 2.530 ( 3.036 -0.294 0.000) 3.050 2.664 ( -10.499 -1.138 0.000) 10.560 2.664 ( 10.499 -1.138 0.000) 10.560 2.780 ( -3.479 2.415 0.000) 4.234 2.780 ( 3.479 2.415 0.000) 4.234 2.908 ( -2.398 -2.305 0.000) 3.326 2.908 ( 2.398 -2.305 0.000) 3.326 2.974 ( -2.392 -2.155 0.000) 3.220 2.974 ( 2.392 -2.155 0.000) 3.220 3.076 ( -1.498 -3.709 0.000) 4.000 3.076 ( 1.498 -3.709 0.000) 4.000 3.142 ( -0.616 -2.687 0.000) 2.757 3.142 ( 0.616 -2.687 0.000) 2.757 3.182 ( -0.227 1.593 0.000) 1.609 3.182 ( 0.227 1.593 0.000) 1.609 3.261 ( -4.525 1.728 0.000) 4.844 3.261 ( 4.525 1.728 0.000) 4.844 3.343 ( -6.834 -4.416 0.000) 8.137 3.343 ( 6.834 -4.416 0.000) 8.137 3.420 ( -7.757 -0.314 0.000) 7.763 3.420 ( 7.757 -0.314 0.000) 7.763 3.497 ( -3.288 -2.302 0.000) 4.014 3.497 ( 3.288 -2.302 0.000) 4.014 3.613 ( -2.221 0.418 0.000) 2.260 3.613 ( 2.221 0.418 0.000) 2.260 3.721 ( -1.151 4.988 0.000) 5.119 3.721 ( 1.151 4.988 0.000) 5.119 3.779 ( -3.455 -4.998 0.000) 6.075 3.779 ( 3.455 -4.998 0.000) 6.075 3.875 ( -3.903 -5.682 0.000) 6.893 3.875 ( 3.903 -5.682 0.000) 6.893 3.982 ( -2.518 -0.177 0.000) 2.524 3.982 ( 2.518 -0.177 0.000) 2.524 4.130 ( -6.440 -0.822 0.000) 6.493 4.130 ( 6.440 -0.822 0.000) 6.493 4.239 ( -3.270 0.406 0.000) 3.295 4.239 ( 3.270 0.406 0.000) 3.295 4.426 ( -8.144 4.819 0.000) 9.463 4.426 ( 8.144 4.819 0.000) 9.463 4.550 ( -5.051 -3.052 0.000) 5.902 4.550 ( 5.051 -3.052 0.000) 5.902 4.849 ( -9.042 -4.107 0.000) 9.931 4.849 ( 9.042 -4.107 0.000) 9.931 4.911 ( -3.388 3.643 0.000) 4.975 4.911 ( 3.388 3.643 0.000) 4.975 5.012 ( -5.146 2.610 0.000) 5.770 5.012 ( 5.146 2.610 0.000) 5.770 5.259 ( -4.290 -4.271 0.000) 6.054 5.259 ( 4.290 -4.271 0.000) 6.054 5.268 ( -7.096 -4.492 0.000) 8.398 5.268 ( 7.096 -4.492 0.000) 8.398 5.742 ( -3.099 3.781 0.000) 4.889 5.742 ( 3.099 3.781 0.000) 4.889 5.985 ( -9.648 -7.784 0.000) 12.397 5.985 ( 9.648 -7.784 0.000) 12.397 6.767 ( -0.939 9.408 0.000) 9.454 6.767 ( 0.939 9.408 0.000) 9.454 6.911 ( -3.100 10.971 0.000) 11.400 6.911 ( 3.100 10.971 0.000) 11.400 7.125 ( -4.403 7.156 0.000) 8.403 7.125 ( 4.403 7.156 0.000) 8.403 7.261 ( -0.702 1.884 0.000) 2.010 7.261 ( 0.702 1.884 0.000) 2.010 7.573 ( -1.869 0.900 0.000) 2.074 7.573 ( 1.869 0.900 0.000) 2.074 7.848 ( -4.061 -2.089 0.000) 4.566 7.848 ( 4.061 -2.089 0.000) 4.566 7.922 ( -2.067 -1.336 0.000) 2.461 7.922 ( 2.067 -1.336 0.000) 2.461 7.947 ( -0.861 -0.685 0.000) 1.100 7.947 ( 0.861 -0.685 0.000) 1.100 8.089 ( -2.897 -1.823 0.000) 3.423 8.089 ( 2.897 -1.823 0.000) 3.423 8.188 ( -0.412 -0.054 0.000) 0.415 8.188 ( 0.412 -0.054 0.000) 0.415 8.349 ( -1.085 1.185 0.000) 1.607 8.349 ( 1.085 1.185 0.000) 1.607 8.410 ( -7.229 -1.923 0.000) 7.480 8.410 ( 7.229 -1.923 0.000) 7.480 8.675 ( -2.337 3.189 0.000) 3.954 8.675 ( 2.337 3.189 0.000) 3.954 8.715 ( -1.198 -0.369 0.000) 1.253 8.715 ( 1.198 -0.369 0.000) 1.253 8.887 ( -2.818 3.288 0.000) 4.330 8.887 ( 2.818 3.288 0.000) 4.330 9.087 ( -4.444 1.158 0.000) 4.593 9.087 ( 4.444 1.158 0.000) 4.593 9.156 ( -3.592 2.121 0.000) 4.171 9.156 ( 3.592 2.121 0.000) 4.171 9.235 ( -2.511 8.688 0.000) 9.044 9.235 ( 2.511 8.688 0.000) 9.044 9.367 ( -1.273 1.845 0.000) 2.242 9.367 ( 1.273 1.845 0.000) 2.242 9.481 ( -7.076 -7.293 0.000) 10.161 9.481 ( 7.076 -7.293 0.000) 10.161 9.613 ( -8.072 -1.590 0.000) 8.227 9.613 ( 8.072 -1.590 0.000) 8.227 9.790 ( -2.076 -0.360 0.000) 2.107 9.790 ( 2.076 -0.360 0.000) 2.107 10.045 ( -2.573 -2.301 0.000) 3.451 10.045 ( 2.573 -2.301 0.000) 3.451 10.300 ( -1.412 0.812 0.000) 1.629 10.300 ( 1.412 0.812 0.000) 1.629 10.481 ( -6.543 0.054 0.000) 6.543 10.481 ( 6.543 0.054 0.000) 6.543 10.717 ( -3.377 -1.120 0.000) 3.558 10.717 ( 3.377 -1.120 0.000) 3.558 10.795 ( -0.083 2.274 0.000) 2.275 10.795 ( 0.083 2.274 0.000) 2.275 10.874 ( -3.972 -1.263 0.000) 4.168 10.874 ( 3.972 -1.263 0.000) 4.168 11.045 ( -1.904 0.721 0.000) 2.036 11.045 ( 1.904 0.721 0.000) 2.036 11.194 ( -1.987 -0.878 0.000) 2.172 11.194 ( 1.987 -0.878 0.000) 2.172 11.963 ( -8.496 3.982 0.000) 9.383 11.963 ( 8.496 3.982 0.000) 9.383 12.338 ( -10.514 3.081 0.000) 10.956 12.338 ( 10.514 3.081 0.000) 10.956 12.696 ( -17.214 -1.572 0.000) 17.286 12.696 ( 17.214 -1.572 0.000) 17.286 13.123 ( -9.238 1.397 0.000) 9.343 13.123 ( 9.238 1.397 0.000) 9.343 13.248 ( -7.969 -1.644 0.000) 8.137 13.248 ( 7.969 -1.644 0.000) 8.137 13.594 ( -8.222 -5.072 0.000) 9.661 13.594 ( 8.222 -5.072 0.000) 9.661 14.022 ( -1.145 0.846 0.000) 1.424 14.022 ( 1.145 0.846 0.000) 1.424 14.061 ( -0.563 -1.189 0.000) 1.315 14.061 ( 0.563 -1.189 0.000) 1.315 15.109 ( -0.324 0.061 0.000) 0.330 15.109 ( 0.324 0.061 0.000) 0.330 15.219 ( -0.034 3.965 0.000) 3.965 15.219 ( 0.034 3.965 0.000) 3.965 15.357 ( -3.586 2.090 0.000) 4.151 15.357 ( 3.586 2.090 0.000) 4.151 15.696 ( -4.984 1.822 0.000) 5.307 15.696 ( 4.984 1.822 0.000) 5.307 15.762 ( -3.332 3.691 0.000) 4.972 15.762 ( 3.332 3.691 0.000) 4.972 15.854 ( -5.023 -1.265 0.000) 5.180 15.854 ( 5.023 -1.265 0.000) 5.180 16.121 ( -7.124 -2.140 0.000) 7.439 16.121 ( 7.124 -2.140 0.000) 7.439 16.452 ( -0.921 -4.152 0.000) 4.253 16.452 ( 0.921 -4.152 0.000) 4.253 17.247 ( -4.664 -1.196 0.000) 4.815 17.247 ( 4.664 -1.196 0.000) 4.815 17.459 ( -10.524 -2.186 0.000) 10.749 17.459 ( 10.524 -2.186 0.000) 10.749 17.526 ( -0.172 -5.811 0.000) 5.813 17.526 ( 0.172 -5.811 0.000) 5.813 17.694 ( -3.377 0.105 0.000) 3.379 17.694 ( 3.377 0.105 0.000) 3.379 18.022 ( -8.550 -0.254 0.000) 8.554 18.022 ( 8.550 -0.254 0.000) 8.554 18.200 ( -2.060 -1.417 0.000) 2.501 18.200 ( 2.060 -1.417 0.000) 2.501 18.465 ( -5.788 -12.307 0.000) 13.600 18.465 ( 5.788 -12.307 0.000) 13.600 18.863 ( -0.895 -6.373 0.000) 6.436 18.863 ( 0.895 -6.373 0.000) 6.436 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 20.723 0.000) 20.723 0.905 ( 0.000 21.651 0.000) 21.651 1.649 ( 0.000 5.559 0.000) 5.559 1.658 ( 0.000 34.235 0.000) 34.235 1.778 ( 0.000 4.655 0.000) 4.655 1.919 ( 0.000 -5.440 0.000) 5.440 1.969 ( 0.000 2.811 0.000) 2.811 1.978 ( 0.000 3.549 0.000) 3.549 2.016 ( 0.000 3.986 0.000) 3.986 2.068 ( 0.000 2.508 0.000) 2.508 2.124 ( 0.000 3.430 0.000) 3.430 2.226 ( 0.000 -3.078 0.000) 3.078 2.236 ( 0.000 -6.066 0.000) 6.066 2.333 ( 0.000 -6.208 0.000) 6.208 2.346 ( 0.000 4.739 0.000) 4.739 2.362 ( 0.000 -3.844 0.000) 3.844 2.565 ( 0.000 1.201 0.000) 1.201 2.613 ( 0.000 0.627 0.000) 0.627 2.676 ( 0.000 5.688 0.000) 5.688 2.764 ( 0.000 -1.784 0.000) 1.784 2.787 ( 0.000 -4.706 0.000) 4.706 2.798 ( 0.000 -9.831 0.000) 9.831 2.849 ( 0.000 -5.897 0.000) 5.897 2.877 ( 0.000 4.131 0.000) 4.131 2.885 ( 0.000 -3.719 0.000) 3.719 2.942 ( 0.000 -9.132 0.000) 9.132 2.979 ( 0.000 3.398 0.000) 3.398 3.017 ( 0.000 -2.461 0.000) 2.461 3.052 ( 0.000 1.275 0.000) 1.275 3.077 ( 0.000 -4.900 0.000) 4.900 3.088 ( 0.000 -0.612 0.000) 0.612 3.150 ( 0.000 -2.485 0.000) 2.485 3.177 ( 0.000 -1.963 0.000) 1.963 3.246 ( 0.000 -13.792 0.000) 13.792 3.295 ( 0.000 -3.083 0.000) 3.083 3.312 ( 0.000 -3.956 0.000) 3.956 3.454 ( 0.000 -9.189 0.000) 9.189 3.463 ( 0.000 -2.645 0.000) 2.645 3.529 ( 0.000 5.992 0.000) 5.992 3.583 ( 0.000 -2.378 0.000) 2.378 3.634 ( 0.000 -3.257 0.000) 3.257 3.671 ( 0.000 -2.928 0.000) 2.928 3.702 ( 0.000 0.984 0.000) 0.984 3.719 ( 0.000 -6.085 0.000) 6.085 3.751 ( 0.000 5.275 0.000) 5.275 3.765 ( 0.000 -3.343 0.000) 3.343 3.795 ( 0.000 6.761 0.000) 6.761 3.867 ( 0.000 1.229 0.000) 1.229 3.920 ( 0.000 9.289 0.000) 9.289 4.097 ( 0.000 -0.366 0.000) 0.366 4.111 ( 0.000 -7.029 0.000) 7.029 4.125 ( 0.000 -4.437 0.000) 4.437 4.199 ( 0.000 -6.434 0.000) 6.434 4.395 ( 0.000 7.580 0.000) 7.580 4.407 ( 0.000 -3.473 0.000) 3.473 4.459 ( 0.000 8.846 0.000) 8.846 4.467 ( 0.000 5.341 0.000) 5.341 4.596 ( 0.000 -2.673 0.000) 2.673 4.741 ( 0.000 -6.630 0.000) 6.630 4.811 ( 0.000 5.536 0.000) 5.536 4.928 ( 0.000 0.231 0.000) 0.231 4.948 ( 0.000 6.675 0.000) 6.675 4.965 ( 0.000 -1.811 0.000) 1.811 5.002 ( 0.000 1.846 0.000) 1.846 5.122 ( 0.000 -2.732 0.000) 2.732 5.212 ( 0.000 1.421 0.000) 1.421 5.247 ( 0.000 -10.082 0.000) 10.082 5.250 ( 0.000 4.192 0.000) 4.192 5.479 ( 0.000 -4.453 0.000) 4.453 5.780 ( 0.000 5.303 0.000) 5.303 5.854 ( 0.000 2.907 0.000) 2.907 5.957 ( 0.000 -14.475 0.000) 14.475 6.996 ( 0.000 7.760 0.000) 7.760 7.049 ( 0.000 16.333 0.000) 16.333 7.109 ( 0.000 10.326 0.000) 10.326 7.112 ( 0.000 12.559 0.000) 12.559 7.207 ( 0.000 12.958 0.000) 12.958 7.296 ( 0.000 3.210 0.000) 3.210 7.310 ( 0.000 6.306 0.000) 6.306 7.381 ( 0.000 6.755 0.000) 6.755 7.587 ( 0.000 2.601 0.000) 2.601 7.657 ( 0.000 -1.480 0.000) 1.480 7.780 ( 0.000 -1.325 0.000) 1.325 7.804 ( 0.000 -6.085 0.000) 6.085 7.858 ( 0.000 -2.582 0.000) 2.582 7.868 ( 0.000 0.661 0.000) 0.661 7.868 ( 0.000 -3.371 0.000) 3.371 7.901 ( 0.000 -1.592 0.000) 1.592 7.948 ( 0.000 -2.430 0.000) 2.430 8.069 ( 0.000 -7.416 0.000) 7.416 8.119 ( 0.000 -2.185 0.000) 2.185 8.123 ( 0.000 -1.409 0.000) 1.409 8.281 ( 0.000 0.073 0.000) 0.073 8.374 ( 0.000 1.818 0.000) 1.818 8.517 ( 0.000 -5.737 0.000) 5.737 8.555 ( 0.000 -6.862 0.000) 6.862 8.644 ( 0.000 3.144 0.000) 3.144 8.719 ( 0.000 3.348 0.000) 3.348 8.799 ( 0.000 8.972 0.000) 8.972 8.811 ( 0.000 1.865 0.000) 1.865 8.850 ( 0.000 4.193 0.000) 4.193 8.970 ( 0.000 1.724 0.000) 1.724 8.991 ( 0.000 -6.175 0.000) 6.175 9.034 ( 0.000 -2.047 0.000) 2.047 9.150 ( 0.000 -2.184 0.000) 2.184 9.247 ( 0.000 3.847 0.000) 3.847 9.262 ( 0.000 7.965 0.000) 7.965 9.379 ( 0.000 0.492 0.000) 0.492 9.413 ( 0.000 -5.887 0.000) 5.887 9.415 ( 0.000 5.303 0.000) 5.303 9.430 ( 0.000 -1.851 0.000) 1.851 9.520 ( 0.000 -7.560 0.000) 7.560 9.570 ( 0.000 -6.967 0.000) 6.967 9.622 ( 0.000 -2.224 0.000) 2.224 9.759 ( 0.000 -4.698 0.000) 4.698 10.021 ( 0.000 -6.261 0.000) 6.261 10.104 ( 0.000 0.865 0.000) 0.865 10.236 ( 0.000 -4.303 0.000) 4.303 10.246 ( 0.000 1.037 0.000) 1.037 10.330 ( 0.000 -4.025 0.000) 4.025 10.367 ( 0.000 -8.451 0.000) 8.451 10.516 ( 0.000 0.142 0.000) 0.142 10.521 ( 0.000 1.280 0.000) 1.280 10.618 ( 0.000 -3.951 0.000) 3.951 10.705 ( 0.000 3.486 0.000) 3.486 10.731 ( 0.000 -1.619 0.000) 1.619 10.916 ( 0.000 -1.272 0.000) 1.272 10.952 ( 0.000 -0.841 0.000) 0.841 10.991 ( 0.000 -1.275 0.000) 1.275 11.059 ( 0.000 -1.830 0.000) 1.830 11.223 ( 0.000 2.091 0.000) 2.091 11.369 ( 0.000 3.975 0.000) 3.975 12.076 ( 0.000 6.244 0.000) 6.244 12.160 ( 0.000 7.438 0.000) 7.438 12.348 ( 0.000 6.610 0.000) 6.610 12.438 ( 0.000 -5.019 0.000) 5.019 12.877 ( 0.000 -2.299 0.000) 2.299 13.040 ( 0.000 -7.167 0.000) 7.167 13.084 ( 0.000 3.677 0.000) 3.677 13.148 ( 0.000 2.415 0.000) 2.415 13.175 ( 0.000 -2.270 0.000) 2.270 13.399 ( 0.000 -3.375 0.000) 3.375 13.485 ( 0.000 -1.665 0.000) 1.665 13.641 ( 0.000 2.224 0.000) 2.224 13.815 ( 0.000 -9.042 0.000) 9.042 13.816 ( 0.000 -2.008 0.000) 2.008 14.174 ( 0.000 1.163 0.000) 1.163 14.278 ( 0.000 0.088 0.000) 0.088 15.116 ( 0.000 0.598 0.000) 0.598 15.146 ( 0.000 0.395 0.000) 0.395 15.231 ( 0.000 3.545 0.000) 3.545 15.299 ( 0.000 3.197 0.000) 3.197 15.318 ( 0.000 3.360 0.000) 3.360 15.355 ( 0.000 5.388 0.000) 5.388 15.446 ( 0.000 3.400 0.000) 3.400 15.673 ( 0.000 -2.439 0.000) 2.439 15.694 ( 0.000 -2.118 0.000) 2.118 15.848 ( 0.000 7.560 0.000) 7.560 15.857 ( 0.000 -8.557 0.000) 8.557 15.918 ( 0.000 4.507 0.000) 4.507 15.974 ( 0.000 8.592 0.000) 8.592 16.065 ( 0.000 3.229 0.000) 3.229 16.293 ( 0.000 -5.889 0.000) 5.889 16.394 ( 0.000 0.359 0.000) 0.359 17.077 ( 0.000 2.812 0.000) 2.812 17.126 ( 0.000 1.085 0.000) 1.085 17.157 ( 0.000 1.144 0.000) 1.144 17.324 ( 0.000 -3.374 0.000) 3.374 17.448 ( 0.000 -1.797 0.000) 1.797 17.568 ( 0.000 -0.551 0.000) 0.551 17.673 ( 0.000 -6.929 0.000) 6.929 17.697 ( 0.000 -1.119 0.000) 1.119 17.871 ( 0.000 3.874 0.000) 3.874 18.035 ( 0.000 0.765 0.000) 0.765 18.107 ( 0.000 -1.851 0.000) 1.851 18.210 ( 0.000 -1.682 0.000) 1.682 18.211 ( 0.000 -2.587 0.000) 2.587 18.391 ( 0.000 -9.680 0.000) 9.680 18.695 ( 0.000 -9.644 0.000) 9.644 18.696 ( 0.000 -12.601 0.000) 12.601 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 8.163 17.382 0.000) 19.203 1.113 ( 14.139 18.511 0.000) 23.293 1.530 ( -15.038 6.215 0.000) 16.272 1.693 ( -15.455 9.818 0.000) 18.310 1.813 ( 13.725 5.045 0.000) 14.623 1.834 ( 16.269 24.893 0.000) 29.738 1.996 ( 3.171 -1.341 0.000) 3.443 2.010 ( 1.498 2.480 0.000) 2.897 2.072 ( 6.416 1.717 0.000) 6.641 2.157 ( -0.803 -2.829 0.000) 2.941 2.186 ( 1.864 2.100 0.000) 2.808 2.234 ( -0.490 -0.497 0.000) 0.698 2.284 ( 1.131 -4.931 0.000) 5.059 2.295 ( -2.543 6.932 0.000) 7.383 2.374 ( 2.549 -3.904 0.000) 4.663 2.444 ( 10.190 -1.688 0.000) 10.329 2.545 ( -2.633 1.350 0.000) 2.959 2.576 ( -6.947 3.410 0.000) 7.739 2.609 ( -6.035 0.253 0.000) 6.041 2.719 ( -1.737 -3.634 0.000) 4.028 2.742 ( -2.358 -4.110 0.000) 4.738 2.757 ( 0.174 -5.082 0.000) 5.085 2.835 ( 4.025 -5.065 0.000) 6.470 2.879 ( 0.294 -4.079 0.000) 4.089 2.930 ( -1.727 -2.802 0.000) 3.291 2.951 ( 0.053 -5.428 0.000) 5.429 2.977 ( -3.478 -2.530 0.000) 4.301 3.051 ( 1.966 -5.014 0.000) 5.386 3.078 ( -0.699 -3.735 0.000) 3.799 3.098 ( 4.544 -2.708 0.000) 5.290 3.133 ( 2.299 -3.410 0.000) 4.113 3.172 ( -9.834 2.244 0.000) 10.087 3.202 ( 6.623 0.605 0.000) 6.650 3.228 ( 5.642 -1.411 0.000) 5.816 3.232 ( -4.785 -4.641 0.000) 6.666 3.319 ( -0.451 -5.002 0.000) 5.022 3.375 ( -6.744 -6.755 0.000) 9.546 3.430 ( 2.247 -3.021 0.000) 3.765 3.543 ( -0.295 0.286 0.000) 0.410 3.582 ( -3.464 0.023 0.000) 3.464 3.606 ( -2.890 6.150 0.000) 6.796 3.614 ( -2.149 -3.377 0.000) 4.003 3.659 ( 0.901 -3.129 0.000) 3.256 3.710 ( -1.997 -6.713 0.000) 7.003 3.750 ( 2.448 -0.115 0.000) 2.451 3.770 ( -0.704 4.787 0.000) 4.839 3.789 ( 2.885 1.347 0.000) 3.184 3.889 ( 0.066 5.718 0.000) 5.719 3.957 ( -0.592 6.098 0.000) 6.127 4.061 ( -2.856 -0.512 0.000) 2.902 4.109 ( 3.455 0.282 0.000) 3.466 4.180 ( -0.142 -2.186 0.000) 2.191 4.213 ( -3.697 -6.012 0.000) 7.058 4.323 ( 2.013 -0.537 0.000) 2.084 4.346 ( -3.239 2.043 0.000) 3.829 4.516 ( 1.176 -0.703 0.000) 1.370 4.539 ( 4.944 6.637 0.000) 8.277 4.569 ( -2.313 -2.517 0.000) 3.419 4.650 ( -2.347 -0.435 0.000) 2.387 4.902 ( -1.100 0.316 0.000) 1.144 4.936 ( 5.445 -0.000 0.000) 5.445 4.942 ( -3.236 -3.220 0.000) 4.565 5.015 ( 3.028 0.038 0.000) 3.028 5.050 ( 1.626 -0.017 0.000) 1.626 5.134 ( 5.190 1.198 0.000) 5.326 5.140 ( -5.324 -1.321 0.000) 5.485 5.233 ( -1.833 -7.054 0.000) 7.288 5.255 ( 0.659 4.347 0.000) 4.397 5.591 ( 8.518 -7.614 0.000) 11.425 5.803 ( 1.862 4.760 0.000) 5.111 5.854 ( -0.213 3.600 0.000) 3.606 5.906 ( -4.725 -14.102 0.000) 14.873 6.985 ( -0.715 8.658 0.000) 8.687 7.013 ( -2.260 13.245 0.000) 13.436 7.128 ( 1.482 10.452 0.000) 10.556 7.137 ( 1.414 13.623 0.000) 13.697 7.250 ( 3.256 11.924 0.000) 12.360 7.298 ( 0.236 3.830 0.000) 3.837 7.317 ( 0.380 7.247 0.000) 7.257 7.353 ( -2.208 5.740 0.000) 6.150 7.587 ( 0.210 2.771 0.000) 2.779 7.645 ( -1.348 0.633 0.000) 1.489 7.763 ( -0.366 -2.016 0.000) 2.049 7.814 ( 2.004 -3.753 0.000) 4.254 7.871 ( -2.460 -5.141 0.000) 5.699 7.877 ( 1.084 -2.025 0.000) 2.296 7.919 ( 1.487 -0.969 0.000) 1.775 7.924 ( 2.775 0.549 0.000) 2.829 7.944 ( 3.117 -3.310 0.000) 4.547 8.103 ( 1.498 -5.657 0.000) 5.852 8.141 ( 1.927 -0.673 0.000) 2.042 8.151 ( 0.025 -1.209 0.000) 1.209 8.260 ( 2.236 -1.815 0.000) 2.880 8.339 ( -2.710 -1.453 0.000) 3.075 8.461 ( -4.001 0.870 0.000) 4.095 8.492 ( -6.091 -7.093 0.000) 9.349 8.654 ( -2.539 2.863 0.000) 3.827 8.689 ( 2.396 0.575 0.000) 2.464 8.750 ( -1.607 2.533 0.000) 3.000 8.780 ( -4.651 1.173 0.000) 4.797 8.934 ( 4.249 5.357 0.000) 6.838 8.987 ( -1.748 -2.672 0.000) 3.193 8.997 ( 2.914 0.359 0.000) 2.936 9.097 ( 5.519 -5.958 0.000) 8.122 9.162 ( -1.344 1.785 0.000) 2.234 9.212 ( 1.130 0.075 0.000) 1.132 9.237 ( -2.272 5.560 0.000) 6.006 9.340 ( -2.721 0.077 0.000) 2.722 9.382 ( -4.813 -1.009 0.000) 4.917 9.401 ( 0.293 0.467 0.000) 0.551 9.466 ( -2.838 -4.592 0.000) 5.398 9.488 ( -1.025 -0.310 0.000) 1.070 9.500 ( 3.163 -1.376 0.000) 3.449 9.690 ( 0.468 -4.815 0.000) 4.837 9.740 ( -0.270 -2.875 0.000) 2.887 10.020 ( -0.577 -4.337 0.000) 4.375 10.028 ( -4.363 0.032 0.000) 4.363 10.038 ( -12.238 1.576 0.000) 12.339 10.266 ( 2.527 -0.122 0.000) 2.530 10.370 ( 3.425 -0.755 0.000) 3.508 10.374 ( -3.153 0.373 0.000) 3.175 10.581 ( 5.617 0.013 0.000) 5.617 10.623 ( 3.745 -1.354 0.000) 3.982 10.654 ( 2.895 -1.657 0.000) 3.336 10.739 ( 3.480 0.873 0.000) 3.588 10.790 ( 3.339 -0.783 0.000) 3.429 10.905 ( -1.134 -1.008 0.000) 1.517 10.913 ( -4.011 0.473 0.000) 4.038 10.997 ( 1.258 -1.306 0.000) 1.813 11.043 ( 0.227 -1.553 0.000) 1.569 11.181 ( -3.471 1.151 0.000) 3.657 11.307 ( -5.480 2.571 0.000) 6.053 12.191 ( -8.369 2.305 0.000) 8.681 12.215 ( 6.829 7.170 0.000) 9.902 12.246 ( 6.210 5.822 0.000) 8.512 12.398 ( -19.472 14.543 0.000) 24.303 12.536 ( 0.742 2.252 0.000) 2.371 12.852 ( -2.509 -1.264 0.000) 2.809 13.016 ( -1.444 1.618 0.000) 2.169 13.085 ( 2.012 -6.712 0.000) 7.008 13.283 ( 6.550 -6.569 0.000) 9.276 13.383 ( -8.243 3.351 0.000) 8.898 13.491 ( -11.215 -1.020 0.000) 11.261 13.572 ( -3.030 -9.569 0.000) 10.037 13.896 ( 7.015 -2.197 0.000) 7.351 13.912 ( 6.490 -3.050 0.000) 7.171 14.164 ( -8.039 0.791 0.000) 8.078 14.174 ( -3.388 0.618 0.000) 3.444 15.114 ( -0.067 0.527 0.000) 0.532 15.131 ( -0.999 0.515 0.000) 1.124 15.312 ( 0.202 4.625 0.000) 4.629 15.322 ( 0.388 4.271 0.000) 4.289 15.340 ( 2.791 3.288 0.000) 4.313 15.382 ( 2.797 -0.814 0.000) 2.913 15.564 ( 8.991 1.999 0.000) 9.211 15.720 ( 3.729 -0.706 0.000) 3.796 15.776 ( 2.087 -0.412 0.000) 2.127 15.836 ( -1.676 -5.933 0.000) 6.165 15.857 ( 0.540 5.993 0.000) 6.018 15.909 ( -1.666 2.495 0.000) 3.000 16.040 ( 0.696 3.028 0.000) 3.107 16.185 ( 14.327 -2.505 0.000) 14.544 16.212 ( -6.302 -3.731 0.000) 7.324 16.400 ( 0.112 -0.588 0.000) 0.598 17.154 ( 2.523 0.281 0.000) 2.539 17.188 ( 9.165 -0.115 0.000) 9.166 17.265 ( 8.563 -4.002 0.000) 9.452 17.289 ( -2.861 -2.643 0.000) 3.895 17.446 ( -0.508 -3.119 0.000) 3.160 17.578 ( -6.901 -4.931 0.000) 8.482 17.612 ( 3.501 -0.596 0.000) 3.552 17.718 ( -0.255 -2.287 0.000) 2.301 17.911 ( 3.895 3.068 0.000) 4.958 18.087 ( 4.600 -2.660 0.000) 5.313 18.127 ( 1.991 -2.290 0.000) 3.035 18.158 ( -4.486 -1.190 0.000) 4.641 18.197 ( -1.318 -2.537 0.000) 2.859 18.353 ( -3.683 -9.904 0.000) 10.566 18.693 ( -0.106 -9.678 0.000) 9.678 18.694 ( -0.152 -11.699 0.000) 11.700 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -12.991 11.214 0.000) 17.161 1.216 ( 12.991 11.214 0.000) 17.161 1.397 ( -12.544 16.358 0.000) 20.614 1.397 ( 12.544 16.358 0.000) 20.614 2.015 ( -1.323 -1.771 0.000) 2.210 2.015 ( 1.323 -1.771 0.000) 2.210 2.090 ( -0.021 3.649 0.000) 3.649 2.090 ( 0.021 3.649 0.000) 3.649 2.177 ( -6.444 1.730 0.000) 6.672 2.177 ( 6.444 1.730 0.000) 6.672 2.219 ( -3.081 1.179 0.000) 3.299 2.219 ( 3.081 1.179 0.000) 3.299 2.267 ( -0.017 6.186 0.000) 6.186 2.267 ( 0.017 6.186 0.000) 6.186 2.398 ( -8.123 5.405 0.000) 9.757 2.398 ( 8.123 5.405 0.000) 9.757 2.500 ( -7.229 -2.031 0.000) 7.509 2.500 ( 7.229 -2.031 0.000) 7.509 2.634 ( -2.480 -2.266 0.000) 3.359 2.634 ( 2.480 -2.266 0.000) 3.359 2.760 ( -0.998 -4.131 0.000) 4.250 2.760 ( 0.998 -4.131 0.000) 4.250 2.877 ( -0.013 -3.286 0.000) 3.286 2.877 ( 0.013 -3.286 0.000) 3.286 2.910 ( -1.320 -2.899 0.000) 3.186 2.910 ( 1.320 -2.899 0.000) 3.186 2.975 ( -4.910 -5.985 0.000) 7.741 2.975 ( 4.910 -5.985 0.000) 7.741 3.077 ( -2.259 -4.381 0.000) 4.930 3.077 ( 2.259 -4.381 0.000) 4.930 3.168 ( -1.247 -2.968 0.000) 3.220 3.168 ( 1.247 -2.968 0.000) 3.220 3.230 ( -4.187 -4.823 0.000) 6.387 3.230 ( 4.187 -4.823 0.000) 6.387 3.286 ( -1.950 -0.806 0.000) 2.110 3.286 ( 1.950 -0.806 0.000) 2.110 3.408 ( -8.548 -1.050 0.000) 8.612 3.408 ( 8.548 -1.050 0.000) 8.612 3.492 ( -2.081 1.810 0.000) 2.758 3.492 ( 2.081 1.810 0.000) 2.758 3.603 ( -0.971 -1.370 0.000) 1.679 3.603 ( 0.971 -1.370 0.000) 1.679 3.703 ( -1.001 -1.190 0.000) 1.555 3.703 ( 1.001 -1.190 0.000) 1.555 3.781 ( -0.447 0.498 0.000) 0.669 3.781 ( 0.447 0.498 0.000) 0.669 3.862 ( -2.979 5.965 0.000) 6.668 3.862 ( 2.979 5.965 0.000) 6.668 3.961 ( -5.389 -1.117 0.000) 5.504 3.961 ( 5.389 -1.117 0.000) 5.504 4.119 ( -0.656 -1.172 0.000) 1.343 4.119 ( 0.656 -1.172 0.000) 1.343 4.262 ( -6.228 1.614 0.000) 6.434 4.262 ( 6.228 1.614 0.000) 6.434 4.454 ( -6.303 -3.275 0.000) 7.103 4.454 ( 6.303 -3.275 0.000) 7.103 4.544 ( -0.669 4.268 0.000) 4.320 4.544 ( 0.669 4.268 0.000) 4.320 4.782 ( -10.266 -2.250 0.000) 10.510 4.782 ( 10.266 -2.250 0.000) 10.510 4.948 ( -4.205 -0.794 0.000) 4.279 4.948 ( 4.205 -0.794 0.000) 4.279 5.035 ( -4.097 -0.493 0.000) 4.126 5.035 ( 4.097 -0.493 0.000) 4.126 5.153 ( -5.447 -6.166 0.000) 8.227 5.153 ( 5.447 -6.166 0.000) 8.227 5.251 ( -2.951 3.058 0.000) 4.250 5.251 ( 2.951 3.058 0.000) 4.250 5.769 ( -7.950 -11.026 0.000) 13.593 5.769 ( 7.950 -11.026 0.000) 13.593 5.840 ( -1.376 3.557 0.000) 3.814 5.840 ( 1.376 3.557 0.000) 3.814 6.981 ( -0.618 10.460 0.000) 10.479 6.981 ( 0.618 10.460 0.000) 10.479 7.151 ( -0.280 12.084 0.000) 12.088 7.151 ( 0.280 12.084 0.000) 12.088 7.304 ( -0.920 9.124 0.000) 9.170 7.304 ( 0.920 9.124 0.000) 9.170 7.316 ( -0.563 5.060 0.000) 5.091 7.316 ( 0.563 5.060 0.000) 5.091 7.607 ( -1.803 2.907 0.000) 3.421 7.607 ( 1.803 2.907 0.000) 3.421 7.794 ( -3.319 -3.153 0.000) 4.577 7.794 ( 3.319 -3.153 0.000) 4.577 7.872 ( -2.099 -2.623 0.000) 3.359 7.872 ( 2.099 -2.623 0.000) 3.359 7.949 ( -0.727 0.160 0.000) 0.744 7.949 ( 0.727 0.160 0.000) 0.744 8.030 ( -4.825 -3.932 0.000) 6.224 8.030 ( 4.825 -3.932 0.000) 6.224 8.189 ( -0.982 0.049 0.000) 0.983 8.189 ( 0.982 0.049 0.000) 0.983 8.319 ( -2.924 -5.585 0.000) 6.304 8.319 ( 2.924 -5.585 0.000) 6.304 8.385 ( -2.255 -0.131 0.000) 2.259 8.385 ( 2.255 -0.131 0.000) 2.259 8.674 ( -4.064 -1.507 0.000) 4.335 8.674 ( 4.064 -1.507 0.000) 4.335 8.725 ( -0.714 2.350 0.000) 2.456 8.725 ( 0.714 2.350 0.000) 2.456 8.954 ( -0.406 0.204 0.000) 0.455 8.954 ( 0.406 0.204 0.000) 0.455 9.098 ( -4.637 1.829 0.000) 4.984 9.098 ( 4.637 1.829 0.000) 4.984 9.202 ( -0.144 2.859 0.000) 2.863 9.202 ( 0.144 2.859 0.000) 2.863 9.268 ( -8.287 -10.159 0.000) 13.111 9.268 ( 8.287 -10.159 0.000) 13.111 9.320 ( -0.202 -0.748 0.000) 0.775 9.320 ( 0.202 -0.748 0.000) 0.775 9.522 ( -2.175 5.731 0.000) 6.130 9.522 ( 2.175 5.731 0.000) 6.130 9.582 ( -7.291 -0.550 0.000) 7.312 9.582 ( 7.291 -0.550 0.000) 7.312 9.805 ( -7.379 1.844 0.000) 7.606 9.805 ( 7.379 1.844 0.000) 7.606 9.996 ( -0.933 -2.109 0.000) 2.307 9.996 ( 0.933 -2.109 0.000) 2.307 10.339 ( -2.088 3.366 0.000) 3.961 10.339 ( 2.088 3.366 0.000) 3.961 10.479 ( -8.407 -0.282 0.000) 8.411 10.479 ( 8.407 -0.282 0.000) 8.411 10.707 ( -4.088 0.401 0.000) 4.108 10.707 ( 4.088 0.401 0.000) 4.108 10.824 ( -1.095 -0.037 0.000) 1.096 10.824 ( 1.095 -0.037 0.000) 1.096 10.841 ( -4.348 -1.639 0.000) 4.647 10.841 ( 4.348 -1.639 0.000) 4.647 11.064 ( -3.366 1.047 0.000) 3.525 11.064 ( 3.366 1.047 0.000) 3.525 11.170 ( -6.125 -1.421 0.000) 6.287 11.170 ( 6.125 -1.421 0.000) 6.287 12.083 ( -0.050 7.904 0.000) 7.904 12.083 ( 0.050 7.904 0.000) 7.904 12.424 ( -9.124 5.351 0.000) 10.577 12.424 ( 9.124 5.351 0.000) 10.577 12.649 ( -16.427 -3.079 0.000) 16.713 12.649 ( 16.427 -3.079 0.000) 16.713 13.151 ( -8.903 1.121 0.000) 8.973 13.151 ( 8.903 1.121 0.000) 8.973 13.200 ( -6.664 -3.151 0.000) 7.372 13.200 ( 6.664 -3.151 0.000) 7.372 13.469 ( -6.016 -6.554 0.000) 8.896 13.469 ( 6.016 -6.554 0.000) 8.896 14.021 ( -5.058 -0.955 0.000) 5.148 14.021 ( 5.058 -0.955 0.000) 5.148 14.055 ( -6.362 0.680 0.000) 6.398 14.055 ( 6.362 0.680 0.000) 6.398 15.116 ( -0.385 0.555 0.000) 0.676 15.116 ( 0.385 0.555 0.000) 0.676 15.316 ( -0.328 5.399 0.000) 5.409 15.316 ( 0.328 5.399 0.000) 5.409 15.393 ( -1.500 1.048 0.000) 1.830 15.393 ( 1.500 1.048 0.000) 1.830 15.728 ( -4.743 1.099 0.000) 4.868 15.728 ( 4.743 1.099 0.000) 4.868 15.804 ( -1.213 -1.220 0.000) 1.720 15.804 ( 1.213 -1.220 0.000) 1.720 15.865 ( -0.855 3.585 0.000) 3.686 15.865 ( 0.855 3.585 0.000) 3.686 16.088 ( -4.603 -0.363 0.000) 4.618 16.088 ( 4.603 -0.363 0.000) 4.618 16.373 ( -3.717 -2.984 0.000) 4.766 16.373 ( 3.717 -2.984 0.000) 4.766 17.220 ( -3.490 -1.290 0.000) 3.720 17.220 ( 3.490 -1.290 0.000) 3.720 17.396 ( -7.032 -4.966 0.000) 8.609 17.396 ( 7.032 -4.966 0.000) 8.609 17.410 ( -1.046 -4.177 0.000) 4.306 17.410 ( 1.046 -4.177 0.000) 4.306 17.683 ( -2.858 -1.108 0.000) 3.065 17.683 ( 2.858 -1.108 0.000) 3.065 18.025 ( -6.547 0.948 0.000) 6.615 18.025 ( 6.547 0.948 0.000) 6.615 18.160 ( -2.025 -2.448 0.000) 3.178 18.160 ( 2.025 -2.448 0.000) 3.178 18.240 ( -6.828 -8.850 0.000) 11.177 18.240 ( 6.828 -8.850 0.000) 11.177 18.692 ( -0.010 -10.271 0.000) 10.271 18.692 ( 0.010 -10.271 0.000) 10.271 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 0.000 16.765 0.000) 16.765 1.315 ( 0.000 19.414 0.000) 19.414 1.769 ( 0.000 6.225 0.000) 6.225 1.775 ( 0.000 -8.768 0.000) 8.768 1.862 ( 0.000 3.845 0.000) 3.845 1.955 ( 0.000 -9.154 0.000) 9.154 1.992 ( 0.000 2.943 0.000) 2.943 2.111 ( 0.000 -2.796 0.000) 2.796 2.127 ( 0.000 7.429 0.000) 7.429 2.134 ( 0.000 2.101 0.000) 2.101 2.212 ( 0.000 5.861 0.000) 5.861 2.260 ( 0.000 10.405 0.000) 10.405 2.295 ( 0.000 14.176 0.000) 14.176 2.306 ( 0.000 2.878 0.000) 2.878 2.355 ( 0.000 12.145 0.000) 12.145 2.422 ( 0.000 -1.742 0.000) 1.742 2.549 ( 0.000 -3.237 0.000) 3.237 2.580 ( 0.000 -11.411 0.000) 11.411 2.633 ( 0.000 1.063 0.000) 1.063 2.656 ( 0.000 -8.445 0.000) 8.445 2.693 ( 0.000 -2.846 0.000) 2.846 2.719 ( 0.000 -2.119 0.000) 2.119 2.722 ( 0.000 -8.837 0.000) 8.837 2.769 ( 0.000 -6.254 0.000) 6.254 2.854 ( 0.000 5.668 0.000) 5.668 2.893 ( 0.000 -4.489 0.000) 4.489 2.925 ( 0.000 -10.369 0.000) 10.369 2.942 ( 0.000 -6.295 0.000) 6.295 2.946 ( 0.000 -11.034 0.000) 11.034 3.000 ( 0.000 -1.666 0.000) 1.666 3.092 ( 0.000 0.823 0.000) 0.823 3.100 ( 0.000 6.141 0.000) 6.141 3.103 ( 0.000 -1.792 0.000) 1.792 3.149 ( 0.000 -0.683 0.000) 0.683 3.248 ( 0.000 -2.224 0.000) 2.224 3.336 ( 0.000 2.701 0.000) 2.701 3.373 ( 0.000 -4.451 0.000) 4.451 3.401 ( 0.000 3.625 0.000) 3.625 3.519 ( 0.000 -2.496 0.000) 2.496 3.550 ( 0.000 -4.476 0.000) 4.476 3.600 ( 0.000 -4.753 0.000) 4.753 3.605 ( 0.000 -3.321 0.000) 3.321 3.645 ( 0.000 -6.876 0.000) 6.876 3.672 ( 0.000 3.161 0.000) 3.161 3.777 ( 0.000 2.699 0.000) 2.699 3.839 ( 0.000 -1.761 0.000) 1.761 3.889 ( 0.000 1.091 0.000) 1.091 3.936 ( 0.000 10.505 0.000) 10.505 3.971 ( 0.000 -5.988 0.000) 5.988 4.044 ( 0.000 5.570 0.000) 5.570 4.056 ( 0.000 -6.470 0.000) 6.470 4.138 ( 0.000 6.399 0.000) 6.399 4.162 ( 0.000 10.276 0.000) 10.276 4.280 ( 0.000 -8.631 0.000) 8.631 4.497 ( 0.000 -6.607 0.000) 6.607 4.558 ( 0.000 -1.646 0.000) 1.646 4.619 ( 0.000 8.272 0.000) 8.272 4.648 ( 0.000 9.236 0.000) 9.236 4.661 ( 0.000 6.561 0.000) 6.561 4.863 ( 0.000 -1.616 0.000) 1.616 4.905 ( 0.000 -2.758 0.000) 2.758 4.974 ( 0.000 -0.115 0.000) 0.115 4.991 ( 0.000 -9.574 0.000) 9.574 5.021 ( 0.000 -11.265 0.000) 11.265 5.032 ( 0.000 5.061 0.000) 5.061 5.131 ( 0.000 7.903 0.000) 7.903 5.207 ( 0.000 -1.867 0.000) 1.867 5.299 ( 0.000 0.350 0.000) 0.350 5.400 ( 0.000 -1.956 0.000) 1.956 5.668 ( 0.000 -13.061 0.000) 13.061 5.878 ( 0.000 4.033 0.000) 4.033 5.912 ( 0.000 2.127 0.000) 2.127 7.153 ( 0.000 7.734 0.000) 7.734 7.221 ( 0.000 2.727 0.000) 2.727 7.247 ( 0.000 2.804 0.000) 2.804 7.282 ( 0.000 3.576 0.000) 3.576 7.428 ( 0.000 4.136 0.000) 4.136 7.442 ( 0.000 12.285 0.000) 12.285 7.467 ( 0.000 11.536 0.000) 11.536 7.578 ( 0.000 8.239 0.000) 8.239 7.631 ( 0.000 -0.968 0.000) 0.968 7.678 ( 0.000 -4.593 0.000) 4.593 7.700 ( 0.000 4.742 0.000) 4.742 7.792 ( 0.000 5.008 0.000) 5.008 7.799 ( 0.000 -4.368 0.000) 4.368 7.826 ( 0.000 -0.396 0.000) 0.396 7.846 ( 0.000 -0.416 0.000) 0.416 7.856 ( 0.000 -0.217 0.000) 0.217 7.948 ( 0.000 -4.254 0.000) 4.254 7.984 ( 0.000 4.909 0.000) 4.909 8.058 ( 0.000 -3.911 0.000) 3.911 8.083 ( 0.000 -2.804 0.000) 2.804 8.297 ( 0.000 1.719 0.000) 1.719 8.321 ( 0.000 -13.607 0.000) 13.607 8.365 ( 0.000 -11.454 0.000) 11.454 8.383 ( 0.000 -0.824 0.000) 0.824 8.708 ( 0.000 3.361 0.000) 3.361 8.788 ( 0.000 3.406 0.000) 3.406 8.821 ( 0.000 -0.905 0.000) 0.905 8.922 ( 0.000 -0.679 0.000) 0.679 8.923 ( 0.000 -0.189 0.000) 0.189 8.952 ( 0.000 3.399 0.000) 3.399 9.013 ( 0.000 4.285 0.000) 4.285 9.020 ( 0.000 3.749 0.000) 3.749 9.122 ( 0.000 -0.768 0.000) 0.768 9.292 ( 0.000 -3.917 0.000) 3.917 9.332 ( 0.000 4.364 0.000) 4.364 9.338 ( 0.000 -8.357 0.000) 8.357 9.368 ( 0.000 -4.725 0.000) 4.725 9.415 ( 0.000 0.631 0.000) 0.631 9.417 ( 0.000 5.014 0.000) 5.014 9.472 ( 0.000 -2.116 0.000) 2.116 9.523 ( 0.000 5.059 0.000) 5.059 9.594 ( 0.000 -0.663 0.000) 0.663 9.703 ( 0.000 -0.203 0.000) 0.203 9.889 ( 0.000 -6.706 0.000) 6.706 10.115 ( 0.000 0.379 0.000) 0.379 10.167 ( 0.000 -2.682 0.000) 2.682 10.169 ( 0.000 -5.642 0.000) 5.642 10.199 ( 0.000 -7.682 0.000) 7.682 10.350 ( 0.000 3.619 0.000) 3.619 10.515 ( 0.000 0.158 0.000) 0.158 10.528 ( 0.000 -4.861 0.000) 4.861 10.533 ( 0.000 0.040 0.000) 0.040 10.738 ( 0.000 1.434 0.000) 1.434 10.755 ( 0.000 1.394 0.000) 1.394 10.898 ( 0.000 -0.416 0.000) 0.416 10.928 ( 0.000 -1.463 0.000) 1.463 10.969 ( 0.000 -0.595 0.000) 0.595 11.016 ( 0.000 -2.325 0.000) 2.325 11.279 ( 0.000 3.530 0.000) 3.530 11.402 ( 0.000 -0.662 0.000) 0.662 12.194 ( 0.000 5.319 0.000) 5.319 12.335 ( 0.000 9.885 0.000) 9.885 12.353 ( 0.000 -3.632 0.000) 3.632 12.500 ( 0.000 8.358 0.000) 8.358 12.751 ( 0.000 -8.963 0.000) 8.963 12.875 ( 0.000 -9.078 0.000) 9.078 13.141 ( 0.000 2.045 0.000) 2.045 13.178 ( 0.000 0.427 0.000) 0.427 13.201 ( 0.000 3.518 0.000) 3.518 13.338 ( 0.000 -2.929 0.000) 2.929 13.477 ( 0.000 1.144 0.000) 1.144 13.648 ( 0.000 -7.340 0.000) 7.340 13.684 ( 0.000 2.121 0.000) 2.121 13.772 ( 0.000 -2.309 0.000) 2.309 14.199 ( 0.000 1.301 0.000) 1.301 14.261 ( 0.000 -1.538 0.000) 1.538 15.131 ( 0.000 0.824 0.000) 0.824 15.151 ( 0.000 0.032 0.000) 0.032 15.313 ( 0.000 4.439 0.000) 4.439 15.366 ( 0.000 3.101 0.000) 3.101 15.397 ( 0.000 4.562 0.000) 4.562 15.447 ( 0.000 3.559 0.000) 3.559 15.492 ( 0.000 0.924 0.000) 0.924 15.598 ( 0.000 -4.799 0.000) 4.799 15.648 ( 0.000 -2.284 0.000) 2.284 15.701 ( 0.000 -6.405 0.000) 6.405 15.968 ( 0.000 3.978 0.000) 3.978 15.975 ( 0.000 2.379 0.000) 2.379 16.127 ( 0.000 2.729 0.000) 2.729 16.178 ( 0.000 9.553 0.000) 9.553 16.207 ( 0.000 -2.730 0.000) 2.730 16.387 ( 0.000 -1.385 0.000) 1.385 17.155 ( 0.000 4.680 0.000) 4.680 17.163 ( 0.000 2.660 0.000) 2.660 17.182 ( 0.000 1.410 0.000) 1.410 17.261 ( 0.000 -2.784 0.000) 2.784 17.402 ( 0.000 -2.579 0.000) 2.579 17.524 ( 0.000 -7.669 0.000) 7.669 17.567 ( 0.000 0.645 0.000) 0.645 17.656 ( 0.000 -2.877 0.000) 2.877 17.977 ( 0.000 6.865 0.000) 6.865 18.058 ( 0.000 1.566 0.000) 1.566 18.077 ( 0.000 -0.901 0.000) 0.901 18.154 ( 0.000 -2.980 0.000) 2.980 18.214 ( 0.000 -7.161 0.000) 7.161 18.216 ( 0.000 2.666 0.000) 2.666 18.431 ( 0.000 -13.417 0.000) 13.417 18.494 ( 0.000 -9.981 0.000) 9.981 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 3.499 14.280 0.000) 14.703 1.466 ( 11.020 16.351 0.000) 19.718 1.623 ( -8.407 2.174 0.000) 8.683 1.882 ( -2.327 5.630 0.000) 6.092 1.929 ( 1.781 -1.230 0.000) 2.164 1.933 ( 7.360 5.969 0.000) 9.477 2.063 ( -1.739 0.574 0.000) 1.831 2.082 ( 7.606 1.468 0.000) 7.747 2.135 ( 3.344 -1.176 0.000) 3.544 2.156 ( 1.791 0.328 0.000) 1.821 2.233 ( 0.976 4.004 0.000) 4.122 2.279 ( 1.826 5.081 0.000) 5.399 2.313 ( 1.968 4.548 0.000) 4.955 2.383 ( 2.378 13.412 0.000) 13.622 2.437 ( -0.134 5.085 0.000) 5.086 2.445 ( 9.529 2.080 0.000) 9.753 2.551 ( -1.519 -0.597 0.000) 1.632 2.553 ( -3.182 -5.129 0.000) 6.035 2.589 ( -1.686 -4.531 0.000) 4.835 2.628 ( -3.111 -7.090 0.000) 7.743 2.666 ( -5.631 -2.057 0.000) 5.995 2.667 ( -3.083 -2.035 0.000) 3.694 2.723 ( 3.569 -3.685 0.000) 5.130 2.789 ( 0.004 -1.606 0.000) 1.606 2.850 ( 4.153 -6.329 0.000) 7.570 2.851 ( -5.162 -7.866 0.000) 9.408 2.868 ( -0.335 -4.982 0.000) 4.993 2.874 ( -3.820 -10.358 0.000) 11.040 2.967 ( -1.859 -6.168 0.000) 6.442 3.031 ( -1.750 -7.459 0.000) 7.661 3.089 ( 0.570 2.291 0.000) 2.361 3.135 ( 1.645 -1.381 0.000) 2.148 3.179 ( 4.916 -1.969 0.000) 5.296 3.201 ( -4.602 -1.823 0.000) 4.950 3.224 ( 3.956 1.101 0.000) 4.106 3.275 ( -3.057 0.596 0.000) 3.114 3.322 ( -4.624 0.123 0.000) 4.625 3.362 ( 1.837 -3.125 0.000) 3.625 3.528 ( -3.022 -3.212 0.000) 4.410 3.546 ( -1.931 -2.758 0.000) 3.367 3.579 ( 3.376 -3.140 0.000) 4.610 3.593 ( 1.502 -3.395 0.000) 3.712 3.647 ( -1.175 6.390 0.000) 6.497 3.749 ( 5.915 0.856 0.000) 5.977 3.813 ( 1.063 5.812 0.000) 5.908 3.855 ( -2.708 5.590 0.000) 6.211 3.873 ( 1.212 4.062 0.000) 4.239 3.944 ( 5.148 -1.410 0.000) 5.338 4.022 ( -1.317 -3.108 0.000) 3.375 4.028 ( 0.560 -0.571 0.000) 0.799 4.109 ( 4.669 -1.449 0.000) 4.889 4.148 ( -2.494 3.267 0.000) 4.110 4.179 ( 2.210 8.830 0.000) 9.102 4.325 ( 3.360 -3.511 0.000) 4.860 4.394 ( -8.436 6.001 0.000) 10.353 4.444 ( -4.470 -6.167 0.000) 7.616 4.622 ( -0.244 -1.897 0.000) 1.912 4.627 ( 0.152 6.090 0.000) 6.092 4.710 ( 1.652 9.234 0.000) 9.381 4.861 ( -3.270 -5.080 0.000) 6.041 4.900 ( 1.177 -5.639 0.000) 5.761 4.924 ( -4.027 0.066 0.000) 4.028 4.955 ( -1.698 -7.082 0.000) 7.283 4.995 ( -1.935 -9.421 0.000) 9.618 5.038 ( 0.881 3.910 0.000) 4.008 5.178 ( -3.049 -0.904 0.000) 3.180 5.229 ( 6.667 5.789 0.000) 8.830 5.320 ( 1.578 1.409 0.000) 2.115 5.446 ( 3.816 -5.152 0.000) 6.412 5.629 ( -3.501 -12.439 0.000) 12.922 5.894 ( 1.341 3.729 0.000) 3.963 5.919 ( 0.427 2.422 0.000) 2.460 7.140 ( -0.604 6.407 0.000) 6.436 7.192 ( -3.115 4.389 0.000) 5.382 7.256 ( 2.503 3.864 0.000) 4.604 7.309 ( 0.725 2.957 0.000) 3.045 7.436 ( 0.581 7.401 0.000) 7.424 7.466 ( 2.016 8.959 0.000) 9.184 7.471 ( -0.213 8.416 0.000) 8.419 7.532 ( -2.133 9.646 0.000) 9.879 7.661 ( 1.552 -1.259 0.000) 1.998 7.683 ( -0.772 3.793 0.000) 3.871 7.737 ( -1.566 0.153 0.000) 1.574 7.738 ( 4.529 -1.870 0.000) 4.900 7.799 ( -1.206 -0.346 0.000) 1.254 7.858 ( 2.299 -1.788 0.000) 2.912 7.881 ( 1.368 -1.376 0.000) 1.940 7.906 ( 2.852 4.115 0.000) 5.007 7.977 ( 0.416 3.490 0.000) 3.515 7.986 ( 2.629 -4.929 0.000) 5.586 8.105 ( 2.308 -2.885 0.000) 3.695 8.112 ( 3.739 -3.132 0.000) 4.877 8.228 ( -2.724 -2.173 0.000) 3.484 8.285 ( -4.288 -4.036 0.000) 5.888 8.316 ( -4.846 -8.518 0.000) 9.800 8.396 ( 0.613 -7.782 0.000) 7.806 8.708 ( -0.313 2.250 0.000) 2.271 8.725 ( -4.196 3.426 0.000) 5.417 8.798 ( -1.296 1.688 0.000) 2.128 8.834 ( -5.544 2.935 0.000) 6.273 8.919 ( -0.958 -2.937 0.000) 3.089 8.958 ( -2.190 -1.460 0.000) 2.632 9.018 ( 0.245 -0.896 0.000) 0.929 9.026 ( 3.165 2.308 0.000) 3.917 9.164 ( 3.109 -1.394 0.000) 3.408 9.251 ( -6.484 -8.105 0.000) 10.379 9.253 ( -6.085 0.842 0.000) 6.143 9.302 ( -0.999 -3.558 0.000) 3.695 9.315 ( -2.413 -1.027 0.000) 2.623 9.338 ( -2.709 3.192 0.000) 4.187 9.498 ( 2.968 0.716 0.000) 3.053 9.541 ( 1.690 3.861 0.000) 4.215 9.556 ( 6.461 5.226 0.000) 8.311 9.602 ( 1.462 -3.989 0.000) 4.249 9.708 ( -0.269 0.552 0.000) 0.614 9.899 ( -0.438 -6.562 0.000) 6.576 10.038 ( -4.905 1.077 0.000) 5.022 10.055 ( -5.909 0.248 0.000) 5.915 10.253 ( 8.893 -0.791 0.000) 8.928 10.334 ( 4.509 -3.726 0.000) 5.849 10.386 ( 2.034 2.554 0.000) 3.265 10.572 ( 8.474 -4.766 0.000) 9.722 10.587 ( 6.219 0.776 0.000) 6.267 10.616 ( 2.218 -0.601 0.000) 2.298 10.762 ( 0.194 1.071 0.000) 1.089 10.786 ( 2.500 -0.097 0.000) 2.502 10.891 ( -1.490 -0.316 0.000) 1.523 10.911 ( -2.616 -0.648 0.000) 2.695 10.974 ( 2.171 -0.577 0.000) 2.247 11.009 ( 1.320 -1.730 0.000) 2.176 11.220 ( -5.298 2.707 0.000) 5.949 11.324 ( -7.069 -0.937 0.000) 7.131 12.241 ( -4.658 2.635 0.000) 5.352 12.284 ( 8.903 1.295 0.000) 8.997 12.391 ( 3.982 8.395 0.000) 9.292 12.590 ( 0.891 2.107 0.000) 2.288 12.674 ( -25.108 11.923 0.000) 27.795 12.803 ( 4.005 -2.605 0.000) 4.778 12.947 ( 5.671 -6.955 0.000) 8.974 13.013 ( -10.979 -3.727 0.000) 11.595 13.191 ( 3.235 -0.702 0.000) 3.310 13.389 ( -1.174 -8.228 0.000) 8.311 13.438 ( -9.338 1.847 0.000) 9.519 13.474 ( -9.752 -0.626 0.000) 9.772 13.865 ( 8.082 -0.983 0.000) 8.142 13.869 ( 9.218 -1.324 0.000) 9.313 14.171 ( -6.843 0.095 0.000) 6.843 14.177 ( -3.573 -0.185 0.000) 3.578 15.127 ( -0.176 0.737 0.000) 0.758 15.140 ( -0.751 0.257 0.000) 0.794 15.355 ( 2.569 1.133 0.000) 2.808 15.384 ( 1.209 1.852 0.000) 2.212 15.421 ( 0.798 4.838 0.000) 4.903 15.436 ( -0.817 3.939 0.000) 4.023 15.584 ( 7.978 -0.145 0.000) 7.979 15.667 ( 5.617 -4.102 0.000) 6.956 15.725 ( 2.367 -3.654 0.000) 4.353 15.744 ( 5.298 -2.287 0.000) 5.771 15.958 ( -1.918 2.207 0.000) 2.924 15.959 ( -1.177 3.158 0.000) 3.370 16.113 ( -0.769 3.234 0.000) 3.324 16.166 ( -3.137 -0.892 0.000) 3.262 16.232 ( 5.132 5.202 0.000) 7.308 16.383 ( -0.667 -1.426 0.000) 1.575 17.172 ( 1.000 1.644 0.000) 1.925 17.207 ( 4.495 1.755 0.000) 4.825 17.223 ( 3.565 -0.728 0.000) 3.639 17.242 ( -1.622 -1.869 0.000) 2.475 17.381 ( -1.842 -3.155 0.000) 3.653 17.462 ( -5.042 -6.048 0.000) 7.874 17.603 ( 2.813 0.013 0.000) 2.813 17.668 ( 0.420 -2.707 0.000) 2.740 17.999 ( 2.192 5.822 0.000) 6.221 18.068 ( 1.157 0.365 0.000) 1.213 18.090 ( 1.219 -1.290 0.000) 1.775 18.142 ( -1.161 -2.861 0.000) 3.088 18.166 ( -4.174 1.956 0.000) 4.610 18.186 ( -2.480 -6.104 0.000) 6.589 18.453 ( 1.641 -11.506 0.000) 11.622 18.493 ( -0.179 -9.814 0.000) 9.816 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -7.528 8.771 0.000) 11.558 1.424 ( 7.528 8.771 0.000) 11.558 1.718 ( -9.700 14.994 0.000) 17.858 1.718 ( 9.700 14.994 0.000) 17.858 1.971 ( -2.390 -2.384 0.000) 3.376 1.971 ( 2.390 -2.384 0.000) 3.376 2.159 ( -0.953 1.143 0.000) 1.488 2.159 ( 0.953 1.143 0.000) 1.488 2.221 ( -2.621 -0.085 0.000) 2.622 2.221 ( 2.621 -0.085 0.000) 2.622 2.274 ( -12.093 8.039 0.000) 14.521 2.274 ( 12.093 8.039 0.000) 14.521 2.375 ( -8.455 5.185 0.000) 9.919 2.375 ( 8.455 5.185 0.000) 9.919 2.417 ( -7.774 -3.273 0.000) 8.435 2.417 ( 7.774 -3.273 0.000) 8.435 2.537 ( -6.688 4.094 0.000) 7.842 2.537 ( 6.688 4.094 0.000) 7.842 2.587 ( -0.789 -1.446 0.000) 1.647 2.587 ( 0.789 -1.446 0.000) 1.647 2.651 ( -1.454 -4.591 0.000) 4.816 2.651 ( 1.454 -4.591 0.000) 4.816 2.775 ( -0.247 -8.351 0.000) 8.355 2.775 ( 0.247 -8.351 0.000) 8.355 2.826 ( -4.943 -6.674 0.000) 8.305 2.826 ( 4.943 -6.674 0.000) 8.305 2.853 ( -5.032 -2.755 0.000) 5.737 2.853 ( 5.032 -2.755 0.000) 5.737 2.961 ( -4.190 -8.324 0.000) 9.319 2.961 ( 4.190 -8.324 0.000) 9.319 3.097 ( -1.924 -1.878 0.000) 2.689 3.097 ( 1.924 -1.878 0.000) 2.689 3.187 ( -2.798 -0.330 0.000) 2.817 3.187 ( 2.798 -0.330 0.000) 2.817 3.252 ( -1.514 -1.546 0.000) 2.164 3.252 ( 1.514 -1.546 0.000) 2.164 3.383 ( -4.626 -1.183 0.000) 4.775 3.383 ( 4.626 -1.183 0.000) 4.775 3.472 ( -2.260 -2.448 0.000) 3.332 3.472 ( 2.260 -2.448 0.000) 3.332 3.626 ( -1.323 -0.074 0.000) 1.325 3.626 ( 1.323 -0.074 0.000) 1.325 3.713 ( -4.985 2.979 0.000) 5.807 3.713 ( 4.985 2.979 0.000) 5.807 3.867 ( -2.270 5.827 0.000) 6.254 3.867 ( 2.270 5.827 0.000) 6.254 3.920 ( -5.722 3.193 0.000) 6.553 3.920 ( 5.722 3.193 0.000) 6.553 4.047 ( -2.238 6.072 0.000) 6.471 4.047 ( 2.238 6.072 0.000) 6.471 4.088 ( -0.622 -0.604 0.000) 0.867 4.088 ( 0.622 -0.604 0.000) 0.867 4.278 ( -6.747 -0.206 0.000) 6.751 4.278 ( 6.747 -0.206 0.000) 6.751 4.383 ( -2.416 -2.584 0.000) 3.538 4.383 ( 2.416 -2.584 0.000) 3.538 4.622 ( -0.275 2.172 0.000) 2.189 4.622 ( 0.275 2.172 0.000) 2.189 4.780 ( -5.120 0.868 0.000) 5.193 4.780 ( 5.120 0.868 0.000) 5.193 4.870 ( -1.047 -5.866 0.000) 5.958 4.870 ( 1.047 -5.866 0.000) 5.958 4.962 ( -1.121 -5.341 0.000) 5.457 4.962 ( 1.121 -5.341 0.000) 5.457 5.097 ( -4.225 0.421 0.000) 4.245 5.097 ( 4.225 0.421 0.000) 4.245 5.326 ( -1.949 3.303 0.000) 3.835 5.326 ( 1.949 3.303 0.000) 3.835 5.538 ( -4.793 -9.981 0.000) 11.072 5.538 ( 4.793 -9.981 0.000) 11.072 5.918 ( -0.684 3.095 0.000) 3.170 5.918 ( 0.684 3.095 0.000) 3.170 7.145 ( -1.224 5.472 0.000) 5.607 7.145 ( 1.224 5.472 0.000) 5.607 7.301 ( -1.458 3.715 0.000) 3.991 7.301 ( 1.458 3.715 0.000) 3.991 7.450 ( -1.016 6.781 0.000) 6.857 7.450 ( 1.016 6.781 0.000) 6.857 7.506 ( -1.343 10.068 0.000) 10.157 7.506 ( 1.343 10.068 0.000) 10.157 7.677 ( -0.145 1.716 0.000) 1.723 7.677 ( 0.145 1.716 0.000) 1.723 7.741 ( -1.776 -1.490 0.000) 2.318 7.741 ( 1.776 -1.490 0.000) 2.318 7.868 ( -3.415 4.058 0.000) 5.304 7.868 ( 3.415 4.058 0.000) 5.304 7.905 ( -2.236 -4.649 0.000) 5.159 7.905 ( 2.236 -4.649 0.000) 5.159 7.993 ( -0.206 1.667 0.000) 1.680 7.993 ( 0.206 1.667 0.000) 1.680 8.176 ( -2.172 -6.723 0.000) 7.065 8.176 ( 2.172 -6.723 0.000) 7.065 8.192 ( -3.095 -0.964 0.000) 3.242 8.192 ( 3.095 -0.964 0.000) 3.242 8.325 ( -7.135 -6.507 0.000) 9.656 8.325 ( 7.135 -6.507 0.000) 9.656 8.683 ( -0.712 2.119 0.000) 2.235 8.683 ( 0.712 2.119 0.000) 2.235 8.778 ( -0.115 2.466 0.000) 2.469 8.778 ( 0.115 2.466 0.000) 2.469 8.915 ( -1.064 -2.334 0.000) 2.566 8.915 ( 1.064 -2.334 0.000) 2.566 9.070 ( -3.349 -7.342 0.000) 8.070 9.070 ( 3.349 -7.342 0.000) 8.070 9.137 ( -1.566 -0.220 0.000) 1.582 9.137 ( 1.566 -0.220 0.000) 1.582 9.247 ( -3.593 -1.167 0.000) 3.778 9.247 ( 3.593 -1.167 0.000) 3.778 9.310 ( -0.710 3.004 0.000) 3.086 9.310 ( 0.710 3.004 0.000) 3.086 9.551 ( -2.235 -0.574 0.000) 2.307 9.551 ( 2.235 -0.574 0.000) 2.307 9.615 ( -4.373 2.787 0.000) 5.186 9.615 ( 4.373 2.787 0.000) 5.186 9.799 ( -8.479 -2.895 0.000) 8.959 9.799 ( 8.479 -2.895 0.000) 8.959 9.984 ( -0.132 0.607 0.000) 0.622 9.984 ( 0.132 0.607 0.000) 0.622 10.394 ( -1.328 0.604 0.000) 1.459 10.394 ( 1.328 0.604 0.000) 1.459 10.496 ( -11.234 2.991 0.000) 11.626 10.496 ( 11.234 2.991 0.000) 11.626 10.732 ( -5.425 1.581 0.000) 5.650 10.732 ( 5.425 1.581 0.000) 5.650 10.778 ( -5.978 -2.944 0.000) 6.664 10.778 ( 5.978 -2.944 0.000) 6.664 10.826 ( -0.392 -0.933 0.000) 1.013 10.826 ( 0.392 -0.933 0.000) 1.013 11.085 ( -6.434 1.102 0.000) 6.527 11.085 ( 6.434 1.102 0.000) 6.527 11.140 ( -9.007 -1.520 0.000) 9.134 11.140 ( 9.007 -1.520 0.000) 9.134 12.259 ( -7.833 9.125 0.000) 12.026 12.259 ( 7.833 9.125 0.000) 12.026 12.535 ( -5.025 5.008 0.000) 7.095 12.535 ( 5.025 5.008 0.000) 7.095 12.572 ( -15.860 -4.494 0.000) 16.484 12.572 ( 15.860 -4.494 0.000) 16.484 13.119 ( -4.512 -4.550 0.000) 6.408 13.119 ( 4.512 -4.550 0.000) 6.408 13.163 ( -9.082 -0.066 0.000) 9.083 13.163 ( 9.082 -0.066 0.000) 9.083 13.369 ( -1.078 -3.093 0.000) 3.276 13.369 ( 1.078 -3.093 0.000) 3.276 14.005 ( -2.527 -0.575 0.000) 2.592 14.005 ( 2.527 -0.575 0.000) 2.592 14.066 ( -3.335 0.319 0.000) 3.350 14.066 ( 3.335 0.319 0.000) 3.350 15.128 ( -0.314 0.551 0.000) 0.634 15.128 ( 0.314 0.551 0.000) 0.634 15.395 ( -0.795 -0.518 0.000) 0.949 15.395 ( 0.795 -0.518 0.000) 0.949 15.422 ( -0.192 4.917 0.000) 4.921 15.422 ( 0.192 4.917 0.000) 4.921 15.730 ( -3.037 -1.504 0.000) 3.389 15.730 ( 3.037 -1.504 0.000) 3.389 15.777 ( -1.306 -0.625 0.000) 1.447 15.777 ( 1.306 -0.625 0.000) 1.447 15.921 ( -0.659 1.898 0.000) 2.009 15.921 ( 0.659 1.898 0.000) 2.009 16.115 ( -1.267 2.328 0.000) 2.650 16.115 ( 1.267 2.328 0.000) 2.650 16.341 ( -3.850 -0.525 0.000) 3.885 16.341 ( 3.850 -0.525 0.000) 3.885 17.203 ( -1.838 -0.193 0.000) 1.848 17.203 ( 1.838 -0.193 0.000) 1.848 17.293 ( -0.396 -4.424 0.000) 4.441 17.293 ( 0.396 -4.424 0.000) 4.441 17.354 ( -2.842 -1.900 0.000) 3.419 17.354 ( 2.842 -1.900 0.000) 3.419 17.655 ( -1.715 -1.420 0.000) 2.226 17.655 ( 1.715 -1.420 0.000) 2.226 18.069 ( -4.217 3.338 0.000) 5.378 18.069 ( 4.217 3.338 0.000) 5.378 18.108 ( -1.916 -2.296 0.000) 2.990 18.108 ( 1.916 -2.296 0.000) 2.990 18.128 ( -2.495 -2.901 0.000) 3.826 18.128 ( 2.495 -2.901 0.000) 3.826 18.482 ( -0.963 -9.985 0.000) 10.031 18.482 ( 0.963 -9.985 0.000) 10.031 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 -11.051 0.000) 11.051 1.558 ( 0.000 11.051 0.000) 11.051 1.682 ( 0.000 -15.253 0.000) 15.253 1.682 ( 0.000 15.253 0.000) 15.253 1.875 ( 0.000 -3.434 0.000) 3.434 1.875 ( 0.000 3.434 0.000) 3.434 2.035 ( 0.000 -3.442 0.000) 3.442 2.035 ( 0.000 3.442 0.000) 3.442 2.260 ( 0.000 -7.751 0.000) 7.751 2.260 ( 0.000 7.751 0.000) 7.751 2.318 ( 0.000 -8.725 0.000) 8.725 2.318 ( 0.000 8.725 0.000) 8.725 2.366 ( 0.000 -1.216 0.000) 1.216 2.366 ( 0.000 1.216 0.000) 1.216 2.420 ( 0.000 -4.753 0.000) 4.753 2.420 ( 0.000 4.753 0.000) 4.753 2.538 ( 0.000 -9.588 0.000) 9.588 2.538 ( 0.000 9.588 0.000) 9.588 2.546 ( 0.000 -3.050 0.000) 3.050 2.546 ( 0.000 3.050 0.000) 3.050 2.686 ( 0.000 -2.021 0.000) 2.021 2.686 ( 0.000 2.021 0.000) 2.021 2.731 ( 0.000 -10.267 0.000) 10.267 2.731 ( 0.000 10.267 0.000) 10.267 2.796 ( 0.000 -7.833 0.000) 7.833 2.796 ( 0.000 7.833 0.000) 7.833 2.805 ( 0.000 -2.153 0.000) 2.153 2.805 ( 0.000 2.153 0.000) 2.153 2.958 ( 0.000 -3.449 0.000) 3.449 2.958 ( 0.000 3.449 0.000) 3.449 3.094 ( 0.000 -0.557 0.000) 0.557 3.094 ( 0.000 0.557 0.000) 0.557 3.183 ( 0.000 -3.878 0.000) 3.878 3.183 ( 0.000 3.878 0.000) 3.878 3.234 ( 0.000 -7.026 0.000) 7.026 3.234 ( 0.000 7.026 0.000) 7.026 3.463 ( 0.000 -6.018 0.000) 6.018 3.463 ( 0.000 6.018 0.000) 6.018 3.497 ( 0.000 -0.397 0.000) 0.397 3.497 ( 0.000 0.397 0.000) 0.397 3.551 ( 0.000 -6.758 0.000) 6.758 3.551 ( 0.000 6.758 0.000) 6.758 3.558 ( 0.000 -0.703 0.000) 0.703 3.558 ( 0.000 0.703 0.000) 0.703 3.847 ( 0.000 -4.188 0.000) 4.188 3.847 ( 0.000 4.188 0.000) 4.188 3.956 ( 0.000 -3.475 0.000) 3.475 3.956 ( 0.000 3.475 0.000) 3.475 3.970 ( 0.000 -8.267 0.000) 8.267 3.970 ( 0.000 8.267 0.000) 8.267 4.151 ( 0.000 -3.400 0.000) 3.400 4.151 ( 0.000 3.400 0.000) 3.400 4.320 ( 0.000 -0.791 0.000) 0.791 4.320 ( 0.000 0.791 0.000) 0.791 4.408 ( 0.000 -6.641 0.000) 6.641 4.408 ( 0.000 6.641 0.000) 6.641 4.763 ( 0.000 -4.539 0.000) 4.539 4.763 ( 0.000 4.539 0.000) 4.539 4.818 ( 0.000 -6.050 0.000) 6.050 4.818 ( 0.000 6.050 0.000) 6.050 4.819 ( 0.000 -4.599 0.000) 4.599 4.819 ( 0.000 4.599 0.000) 4.599 4.919 ( 0.000 -5.314 0.000) 5.314 4.919 ( 0.000 5.314 0.000) 5.314 5.139 ( 0.000 -4.809 0.000) 4.809 5.139 ( 0.000 4.809 0.000) 4.809 5.258 ( 0.000 -4.424 0.000) 4.424 5.258 ( 0.000 4.424 0.000) 4.424 5.458 ( 0.000 -7.594 0.000) 7.594 5.458 ( 0.000 7.594 0.000) 7.594 5.928 ( 0.000 -0.833 0.000) 0.833 5.928 ( 0.000 0.833 0.000) 0.833 7.259 ( 0.000 -1.073 0.000) 1.073 7.259 ( 0.000 1.073 0.000) 1.073 7.276 ( 0.000 -3.680 0.000) 3.680 7.276 ( 0.000 3.680 0.000) 3.680 7.521 ( 0.000 -5.756 0.000) 5.756 7.521 ( 0.000 5.756 0.000) 5.756 7.574 ( 0.000 -0.815 0.000) 0.815 7.574 ( 0.000 0.815 0.000) 0.815 7.684 ( 0.000 -6.179 0.000) 6.179 7.684 ( 0.000 6.179 0.000) 6.179 7.718 ( 0.000 -1.124 0.000) 1.124 7.718 ( 0.000 1.124 0.000) 1.124 7.873 ( 0.000 -2.436 0.000) 2.436 7.873 ( 0.000 2.436 0.000) 2.436 7.879 ( 0.000 -2.973 0.000) 2.973 7.879 ( 0.000 2.973 0.000) 2.973 8.016 ( 0.000 -2.479 0.000) 2.479 8.016 ( 0.000 2.479 0.000) 2.479 8.018 ( 0.000 -14.557 0.000) 14.557 8.018 ( 0.000 14.557 0.000) 14.557 8.138 ( 0.000 -10.089 0.000) 10.089 8.138 ( 0.000 10.089 0.000) 10.089 8.345 ( 0.000 -2.665 0.000) 2.665 8.345 ( 0.000 2.665 0.000) 2.665 8.773 ( 0.000 -3.024 0.000) 3.024 8.773 ( 0.000 3.024 0.000) 3.024 8.865 ( 0.000 -3.764 0.000) 3.764 8.865 ( 0.000 3.764 0.000) 3.764 8.942 ( 0.000 -1.920 0.000) 1.920 8.942 ( 0.000 1.920 0.000) 1.920 9.101 ( 0.000 -2.273 0.000) 2.273 9.101 ( 0.000 2.273 0.000) 2.273 9.162 ( 0.000 -8.666 0.000) 8.666 9.162 ( 0.000 8.666 0.000) 8.666 9.278 ( 0.000 -2.946 0.000) 2.946 9.278 ( 0.000 2.946 0.000) 2.946 9.405 ( 0.000 -2.427 0.000) 2.427 9.405 ( 0.000 2.427 0.000) 2.427 9.460 ( 0.000 -0.174 0.000) 0.174 9.460 ( 0.000 0.174 0.000) 0.174 9.588 ( 0.000 -1.010 0.000) 1.010 9.588 ( 0.000 1.010 0.000) 1.010 9.764 ( 0.000 -5.493 0.000) 5.493 9.764 ( 0.000 5.493 0.000) 5.493 10.106 ( 0.000 -0.616 0.000) 0.616 10.106 ( 0.000 0.616 0.000) 0.616 10.129 ( 0.000 -1.199 0.000) 1.199 10.129 ( 0.000 1.199 0.000) 1.199 10.432 ( 0.000 -4.582 0.000) 4.582 10.432 ( 0.000 4.582 0.000) 4.582 10.526 ( 0.000 -0.684 0.000) 0.684 10.526 ( 0.000 0.684 0.000) 0.684 10.762 ( 0.000 -0.625 0.000) 0.625 10.762 ( 0.000 0.625 0.000) 0.625 10.902 ( 0.000 -0.884 0.000) 0.884 10.902 ( 0.000 0.884 0.000) 0.884 10.976 ( 0.000 -1.350 0.000) 1.350 10.976 ( 0.000 1.350 0.000) 1.350 11.354 ( 0.000 -3.608 0.000) 3.608 11.354 ( 0.000 3.608 0.000) 3.608 12.283 ( 0.000 -3.738 0.000) 3.738 12.283 ( 0.000 3.738 0.000) 3.738 12.537 ( 0.000 -9.740 0.000) 9.740 12.537 ( 0.000 9.740 0.000) 9.740 12.693 ( 0.000 -8.571 0.000) 8.571 12.693 ( 0.000 8.571 0.000) 8.571 13.170 ( 0.000 -0.991 0.000) 0.991 13.170 ( 0.000 0.991 0.000) 0.991 13.275 ( 0.000 -3.508 0.000) 3.508 13.275 ( 0.000 3.508 0.000) 3.508 13.532 ( 0.000 -4.324 0.000) 4.324 13.532 ( 0.000 4.324 0.000) 4.324 13.727 ( 0.000 -2.213 0.000) 2.213 13.727 ( 0.000 2.213 0.000) 2.213 14.228 ( 0.000 -1.635 0.000) 1.635 14.228 ( 0.000 1.635 0.000) 1.635 15.146 ( 0.000 -0.544 0.000) 0.544 15.146 ( 0.000 0.544 0.000) 0.544 15.386 ( 0.000 -1.953 0.000) 1.953 15.386 ( 0.000 1.953 0.000) 1.953 15.489 ( 0.000 -0.820 0.000) 0.820 15.489 ( 0.000 0.820 0.000) 0.820 15.495 ( 0.000 -5.228 0.000) 5.228 15.495 ( 0.000 5.228 0.000) 5.228 15.626 ( 0.000 -0.916 0.000) 0.916 15.626 ( 0.000 0.916 0.000) 0.916 16.004 ( 0.000 -0.142 0.000) 0.142 16.004 ( 0.000 0.142 0.000) 0.142 16.169 ( 0.000 -1.622 0.000) 1.622 16.169 ( 0.000 1.622 0.000) 1.622 16.325 ( 0.000 -5.138 0.000) 5.138 16.325 ( 0.000 5.138 0.000) 5.138 17.212 ( 0.000 -0.732 0.000) 0.732 17.212 ( 0.000 0.732 0.000) 0.732 17.215 ( 0.000 -1.927 0.000) 1.927 17.215 ( 0.000 1.927 0.000) 1.927 17.396 ( 0.000 -3.776 0.000) 3.776 17.396 ( 0.000 3.776 0.000) 3.776 17.598 ( 0.000 -2.469 0.000) 2.469 17.598 ( 0.000 2.469 0.000) 2.469 18.078 ( 0.000 -0.231 0.000) 0.231 18.078 ( 0.000 0.231 0.000) 0.231 18.099 ( 0.000 -2.482 0.000) 2.482 18.099 ( 0.000 2.482 0.000) 2.482 18.194 ( 0.000 -8.711 0.000) 8.711 18.194 ( 0.000 8.711 0.000) 8.711 18.318 ( 0.000 -7.326 0.000) 7.326 18.318 ( 0.000 7.326 0.000) 7.326 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -1.269 -8.018 0.000) 8.118 1.535 ( -1.269 8.018 0.000) 8.118 1.788 ( 8.580 -12.840 0.000) 15.443 1.788 ( 8.580 12.840 0.000) 15.443 1.950 ( 0.843 -1.896 0.000) 2.075 1.950 ( 0.843 1.896 0.000) 2.075 2.060 ( 6.602 -1.382 0.000) 6.745 2.060 ( 6.602 1.382 0.000) 6.745 2.210 ( -2.761 -7.381 0.000) 7.881 2.210 ( -2.761 7.381 0.000) 7.881 2.342 ( 1.970 -9.354 0.000) 9.560 2.342 ( 1.970 9.354 0.000) 9.560 2.394 ( 1.902 -1.870 0.000) 2.668 2.394 ( 1.902 1.870 0.000) 2.668 2.470 ( -2.855 -5.773 0.000) 6.440 2.470 ( -2.855 5.773 0.000) 6.440 2.483 ( 3.347 -4.327 0.000) 5.470 2.483 ( 3.347 4.327 0.000) 5.470 2.616 ( 2.652 -4.111 0.000) 4.892 2.616 ( 2.652 4.111 0.000) 4.892 2.641 ( -1.530 -0.747 0.000) 1.703 2.641 ( -1.530 0.747 0.000) 1.703 2.718 ( -3.440 -4.459 0.000) 5.631 2.718 ( -3.440 4.459 0.000) 5.631 2.770 ( 0.226 -4.659 0.000) 4.664 2.770 ( 0.226 4.659 0.000) 4.664 2.797 ( -1.854 -8.204 0.000) 8.410 2.797 ( -1.854 8.204 0.000) 8.410 2.889 ( -5.498 -5.290 0.000) 7.630 2.889 ( -5.498 5.290 0.000) 7.630 3.135 ( 0.582 -0.002 0.000) 0.582 3.135 ( 0.582 0.002 0.000) 0.582 3.161 ( 0.443 -0.432 0.000) 0.619 3.161 ( 0.443 0.432 0.000) 0.619 3.256 ( 0.470 -1.481 0.000) 1.553 3.256 ( 0.470 1.481 0.000) 1.553 3.336 ( -4.158 -0.204 0.000) 4.163 3.336 ( -4.158 0.204 0.000) 4.163 3.498 ( -1.475 -0.090 0.000) 1.478 3.498 ( -1.475 0.090 0.000) 1.478 3.552 ( 4.204 -0.004 0.000) 4.204 3.552 ( 4.204 0.004 0.000) 4.204 3.753 ( 5.572 -1.011 0.000) 5.663 3.753 ( 5.572 1.011 0.000) 5.663 3.855 ( -0.492 -0.004 0.000) 0.492 3.855 ( -0.492 0.004 0.000) 0.492 3.911 ( 4.346 -4.144 0.000) 6.005 3.911 ( 4.346 4.144 0.000) 6.005 4.030 ( 2.848 -0.474 0.000) 2.887 4.030 ( 2.848 0.474 0.000) 2.887 4.173 ( -1.630 -3.363 0.000) 3.737 4.173 ( -1.630 3.363 0.000) 3.737 4.319 ( 0.084 -1.806 0.000) 1.808 4.319 ( 0.084 1.806 0.000) 1.808 4.381 ( -1.861 -6.039 0.000) 6.319 4.381 ( -1.861 6.039 0.000) 6.319 4.679 ( -4.916 -3.329 0.000) 5.938 4.679 ( -4.916 3.329 0.000) 5.938 4.762 ( -3.392 -0.131 0.000) 3.395 4.762 ( -3.392 0.131 0.000) 3.395 4.864 ( 2.030 -0.573 0.000) 2.110 4.864 ( 2.030 0.573 0.000) 2.110 4.891 ( -1.760 -3.469 0.000) 3.890 4.891 ( -1.760 3.469 0.000) 3.890 5.129 ( -1.214 -4.143 0.000) 4.317 5.129 ( -1.214 4.143 0.000) 4.317 5.315 ( 3.703 -1.127 0.000) 3.871 5.315 ( 3.703 1.127 0.000) 3.871 5.444 ( -1.086 -5.378 0.000) 5.486 5.444 ( -1.086 5.378 0.000) 5.486 5.938 ( 0.864 -0.405 0.000) 0.954 5.938 ( 0.864 0.405 0.000) 0.954 7.217 ( -1.859 -1.310 0.000) 2.274 7.217 ( -1.859 1.310 0.000) 2.274 7.318 ( 1.913 -1.535 0.000) 2.453 7.318 ( 1.913 1.535 0.000) 2.453 7.546 ( 1.212 -4.111 0.000) 4.286 7.546 ( 1.212 4.111 0.000) 4.286 7.562 ( 0.051 -0.517 0.000) 0.519 7.562 ( 0.051 0.517 0.000) 0.519 7.686 ( 0.495 -2.415 0.000) 2.465 7.686 ( 0.495 2.415 0.000) 2.465 7.748 ( 1.352 -2.112 0.000) 2.508 7.748 ( 1.352 2.112 0.000) 2.508 7.828 ( -2.016 -0.701 0.000) 2.134 7.828 ( -2.016 0.701 0.000) 2.134 7.901 ( 2.418 -2.375 0.000) 3.389 7.901 ( 2.418 2.375 0.000) 3.389 8.050 ( 4.138 -1.502 0.000) 4.402 8.050 ( 4.138 1.502 0.000) 4.402 8.097 ( -1.368 -4.296 0.000) 4.509 8.097 ( -1.368 4.296 0.000) 4.509 8.120 ( 3.361 -10.770 0.000) 11.282 8.120 ( 3.361 10.770 0.000) 11.282 8.276 ( -5.649 -1.499 0.000) 5.845 8.276 ( -5.649 1.499 0.000) 5.845 8.754 ( -2.229 -0.924 0.000) 2.413 8.754 ( -2.229 0.924 0.000) 2.413 8.828 ( -2.353 -2.240 0.000) 3.249 8.828 ( -2.353 2.240 0.000) 3.249 8.922 ( -1.819 -0.854 0.000) 2.009 8.922 ( -1.819 0.854 0.000) 2.009 9.059 ( -5.087 -0.316 0.000) 5.097 9.059 ( -5.087 0.316 0.000) 5.097 9.126 ( -0.579 -0.389 0.000) 0.697 9.126 ( -0.579 0.389 0.000) 0.697 9.250 ( -2.057 -0.703 0.000) 2.174 9.250 ( -2.057 0.703 0.000) 2.174 9.352 ( -0.442 -1.564 0.000) 1.625 9.352 ( -0.442 1.564 0.000) 1.625 9.532 ( 2.271 -2.030 0.000) 3.046 9.532 ( 2.271 2.030 0.000) 3.046 9.596 ( 1.912 -0.404 0.000) 1.955 9.596 ( 1.912 0.404 0.000) 1.955 9.774 ( -0.048 -5.483 0.000) 5.484 9.774 ( -0.048 5.483 0.000) 5.484 10.057 ( -5.023 -0.022 0.000) 5.023 10.057 ( -5.023 0.022 0.000) 5.023 10.264 ( 10.925 -2.388 0.000) 11.183 10.264 ( 10.925 2.388 0.000) 11.183 10.467 ( 3.900 -4.681 0.000) 6.092 10.467 ( 3.900 4.681 0.000) 6.092 10.606 ( 5.997 -0.160 0.000) 5.999 10.606 ( 5.997 0.160 0.000) 5.999 10.778 ( 0.326 -0.068 0.000) 0.333 10.778 ( 0.326 0.068 0.000) 0.333 10.895 ( -2.082 -0.046 0.000) 2.083 10.895 ( -2.082 0.046 0.000) 2.083 10.980 ( 2.454 -0.619 0.000) 2.531 10.980 ( 2.454 0.619 0.000) 2.531 11.280 ( -6.688 -1.833 0.000) 6.934 11.280 ( -6.688 1.833 0.000) 6.934 12.284 ( 1.991 -1.252 0.000) 2.352 12.284 ( 1.991 1.252 0.000) 2.352 12.548 ( 0.365 -6.345 0.000) 6.355 12.548 ( 0.365 6.345 0.000) 6.355 12.823 ( 8.996 -2.427 0.000) 9.318 12.823 ( 8.996 2.427 0.000) 9.318 12.877 ( -18.932 -8.767 0.000) 20.864 12.877 ( -18.932 8.767 0.000) 20.864 13.251 ( -0.314 -1.328 0.000) 1.365 13.251 ( -0.314 1.328 0.000) 1.365 13.463 ( -9.057 -0.052 0.000) 9.057 13.463 ( -9.057 0.052 0.000) 9.057 13.856 ( 9.170 -0.000 0.000) 9.170 13.856 ( 9.170 0.000 0.000) 9.170 14.173 ( -4.959 -0.010 0.000) 4.959 14.173 ( -4.959 0.010 0.000) 4.959 15.139 ( -0.418 -0.324 0.000) 0.529 15.139 ( -0.418 0.324 0.000) 0.529 15.386 ( 0.094 -1.117 0.000) 1.121 15.386 ( 0.094 1.117 0.000) 1.121 15.487 ( -0.233 -0.001 0.000) 0.233 15.487 ( -0.233 0.001 0.000) 0.233 15.589 ( 7.234 -2.014 0.000) 7.509 15.589 ( 7.234 2.014 0.000) 7.509 15.704 ( 5.743 -1.142 0.000) 5.856 15.704 ( 5.743 1.142 0.000) 5.856 15.985 ( -2.055 -0.008 0.000) 2.055 15.985 ( -2.055 0.008 0.000) 2.055 16.154 ( -0.987 -0.153 0.000) 0.998 16.154 ( -0.987 0.153 0.000) 0.998 16.331 ( 0.467 -3.912 0.000) 3.940 16.331 ( 0.467 3.912 0.000) 3.940 17.208 ( 0.064 -0.435 0.000) 0.439 17.208 ( 0.064 0.435 0.000) 0.439 17.228 ( 0.736 -0.196 0.000) 0.762 17.228 ( 0.736 0.196 0.000) 0.762 17.365 ( -2.248 -1.893 0.000) 2.939 17.365 ( -2.248 1.893 0.000) 2.939 17.620 ( 1.510 -1.164 0.000) 1.906 17.620 ( 1.510 1.164 0.000) 1.906 18.083 ( 0.441 -0.025 0.000) 0.442 18.083 ( 0.441 0.025 0.000) 0.442 18.093 ( -0.427 -1.855 0.000) 1.903 18.093 ( -0.427 1.855 0.000) 1.903 18.163 ( -2.228 -4.594 0.000) 5.106 18.163 ( -2.228 4.594 0.000) 5.106 18.340 ( 1.389 -3.404 0.000) 3.677 18.340 ( 1.389 3.404 0.000) 3.677 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 -0.000 0.000) 0.000 1.922 ( -0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.286 ( -0.000 -0.000 0.000) 0.000 2.286 ( -0.000 0.000 0.000) 0.000 2.322 ( 0.000 -0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.418 ( -0.000 0.000 0.000) 0.000 2.418 ( -0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 -0.000 0.000) 0.000 2.549 ( -0.000 0.000 0.000) 0.000 2.563 ( -0.000 -0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.729 ( -0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 -0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.743 ( -0.000 -0.000 0.000) 0.000 2.743 ( -0.000 0.000 0.000) 0.000 2.867 ( 0.000 -0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.188 ( -0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 -0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.060 ( -0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.288 ( -0.000 -0.000 0.000) 0.000 4.288 ( -0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 -0.000 0.000) 0.000 4.713 ( 0.000 -0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 -0.000 0.000) 0.000 7.539 ( 0.000 -0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.693 ( -0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.807 ( -0.000 -0.000 0.000) 0.000 7.807 ( 0.000 -0.000 0.000) 0.000 7.971 ( -0.000 -0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 -0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 -0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.157 ( -0.000 -0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.802 ( -0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.983 ( -0.000 0.000 0.000) 0.000 8.983 ( -0.000 0.000 0.000) 0.000 9.131 ( -0.000 -0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.359 ( 0.000 0.000 0.000) 0.000 9.359 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 -0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.769 ( -0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.808 ( -0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 11.110 ( -0.000 -0.000 0.000) 0.000 11.110 ( -0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 12.395 ( -0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.482 ( -0.000 -0.000 0.000) 0.000 12.482 ( 0.000 -0.000 0.000) 0.000 12.600 ( -0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 13.060 ( -0.000 0.000 0.000) 0.000 13.060 ( -0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.069 ( -0.000 0.000 0.000) 0.000 14.069 ( -0.000 0.000 0.000) 0.000 15.134 ( 0.000 0.000 0.000) 0.000 15.134 ( 0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 15.941 ( 0.000 0.000 0.000) 0.000 15.941 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 -0.000 0.000) 0.000 17.211 ( 0.000 0.000 0.000) 0.000 17.237 ( 0.000 0.000 0.000) 0.000 17.237 ( 0.000 0.000 0.000) 0.000 17.335 ( 0.000 0.000 0.000) 0.000 17.335 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 18.085 ( -0.000 -0.000 0.000) 0.000 18.085 ( 0.000 0.000 0.000) 0.000 18.095 ( -0.000 0.000 0.000) 0.000 18.095 ( -0.000 0.000 0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 18.356 ( 0.000 0.000 0.000) 0.000 18.356 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 0.000 0.000 22.572) 22.572 0.479 ( 0.000 0.000 23.233) 23.233 1.023 ( 0.000 0.000 47.331) 47.331 1.329 ( 0.000 0.000 -16.094) 16.094 1.471 ( 0.000 0.000 -23.784) 23.784 1.832 ( 0.000 0.000 13.070) 13.070 1.944 ( 0.000 0.000 3.340) 3.340 1.986 ( 0.000 0.000 0.221) 0.221 2.016 ( 0.000 0.000 1.289) 1.289 2.148 ( 0.000 0.000 -2.017) 2.017 2.218 ( 0.000 0.000 -7.962) 7.962 2.309 ( 0.000 0.000 -8.899) 8.899 2.380 ( 0.000 0.000 13.344) 13.344 2.412 ( 0.000 0.000 9.094) 9.094 2.462 ( 0.000 0.000 -11.670) 11.670 2.516 ( 0.000 0.000 4.296) 4.296 2.552 ( 0.000 0.000 2.803) 2.803 2.573 ( 0.000 0.000 -13.563) 13.563 2.587 ( 0.000 0.000 7.720) 7.720 2.721 ( 0.000 0.000 -11.784) 11.784 2.722 ( 0.000 0.000 7.766) 7.766 2.784 ( 0.000 0.000 6.600) 6.600 2.804 ( 0.000 0.000 0.437) 0.437 2.858 ( 0.000 0.000 -6.902) 6.902 3.011 ( 0.000 0.000 0.311) 0.311 3.030 ( 0.000 0.000 5.565) 5.565 3.035 ( 0.000 0.000 -3.341) 3.341 3.038 ( 0.000 0.000 -3.267) 3.267 3.076 ( 0.000 0.000 3.663) 3.663 3.089 ( 0.000 0.000 -4.065) 4.065 3.136 ( 0.000 0.000 0.770) 0.770 3.194 ( 0.000 0.000 -4.648) 4.648 3.220 ( 0.000 0.000 8.089) 8.089 3.307 ( 0.000 0.000 6.153) 6.153 3.352 ( 0.000 0.000 2.908) 2.908 3.408 ( 0.000 0.000 3.571) 3.571 3.560 ( 0.000 0.000 -3.267) 3.267 3.580 ( 0.000 0.000 1.131) 1.131 3.586 ( 0.000 0.000 -1.286) 1.286 3.587 ( 0.000 0.000 -2.413) 2.413 3.629 ( 0.000 0.000 1.413) 1.413 3.639 ( 0.000 0.000 -5.280) 5.280 3.691 ( 0.000 0.000 4.290) 4.290 3.742 ( 0.000 0.000 -6.509) 6.509 3.763 ( 0.000 0.000 -0.968) 0.968 3.809 ( 0.000 0.000 -8.544) 8.544 3.866 ( 0.000 0.000 -6.347) 6.347 3.869 ( 0.000 0.000 -5.989) 5.989 3.991 ( 0.000 0.000 0.345) 0.345 3.996 ( 0.000 0.000 -0.514) 0.514 4.024 ( 0.000 0.000 -1.404) 1.404 4.107 ( 0.000 0.000 1.533) 1.533 4.234 ( 0.000 0.000 -7.787) 7.787 4.255 ( 0.000 0.000 -3.040) 3.040 4.306 ( 0.000 0.000 10.663) 10.663 4.606 ( 0.000 0.000 0.878) 0.878 4.668 ( 0.000 0.000 13.504) 13.504 4.692 ( 0.000 0.000 1.282) 1.282 4.769 ( 0.000 0.000 -2.042) 2.042 4.778 ( 0.000 0.000 -2.914) 2.914 4.927 ( 0.000 0.000 0.733) 0.733 4.974 ( 0.000 0.000 2.365) 2.365 5.059 ( 0.000 0.000 -4.896) 4.896 5.076 ( 0.000 0.000 2.475) 2.475 5.154 ( 0.000 0.000 4.965) 4.965 5.171 ( 0.000 0.000 -0.224) 0.224 5.283 ( 0.000 0.000 -3.353) 3.353 5.419 ( 0.000 0.000 -3.665) 3.665 5.559 ( 0.000 0.000 0.129) 0.129 5.625 ( 0.000 0.000 -1.989) 1.989 5.889 ( 0.000 0.000 9.131) 9.131 6.253 ( 0.000 0.000 -5.635) 5.635 6.649 ( 0.000 0.000 1.941) 1.941 6.757 ( 0.000 0.000 -2.004) 2.004 6.786 ( 0.000 0.000 5.477) 5.477 6.859 ( 0.000 0.000 3.861) 3.861 6.977 ( 0.000 0.000 3.117) 3.117 7.126 ( 0.000 0.000 -7.951) 7.951 7.148 ( 0.000 0.000 -7.123) 7.123 7.167 ( 0.000 0.000 -4.247) 4.247 7.616 ( 0.000 0.000 3.381) 3.381 7.768 ( 0.000 0.000 -2.869) 2.869 7.784 ( 0.000 0.000 6.500) 6.500 7.885 ( 0.000 0.000 0.223) 0.223 7.890 ( 0.000 0.000 5.829) 5.829 7.951 ( 0.000 0.000 -2.156) 2.156 7.993 ( 0.000 0.000 4.673) 4.673 8.019 ( 0.000 0.000 1.757) 1.757 8.100 ( 0.000 0.000 -5.085) 5.085 8.104 ( 0.000 0.000 3.492) 3.492 8.156 ( 0.000 0.000 -2.294) 2.294 8.172 ( 0.000 0.000 -5.361) 5.361 8.222 ( 0.000 0.000 -6.369) 6.369 8.296 ( 0.000 0.000 1.363) 1.363 8.443 ( 0.000 0.000 -5.169) 5.169 8.463 ( 0.000 0.000 -11.022) 11.022 8.651 ( 0.000 0.000 1.495) 1.495 8.651 ( 0.000 0.000 4.606) 4.606 8.671 ( 0.000 0.000 4.439) 4.439 8.698 ( 0.000 0.000 -1.314) 1.314 8.711 ( 0.000 0.000 8.674) 8.674 8.903 ( 0.000 0.000 -0.511) 0.511 8.988 ( 0.000 0.000 -3.492) 3.492 9.027 ( 0.000 0.000 -4.421) 4.421 9.075 ( 0.000 0.000 1.778) 1.778 9.154 ( 0.000 0.000 -1.255) 1.255 9.246 ( 0.000 0.000 1.011) 1.011 9.266 ( 0.000 0.000 3.279) 3.279 9.365 ( 0.000 0.000 5.612) 5.612 9.378 ( 0.000 0.000 0.230) 0.230 9.410 ( 0.000 0.000 -2.687) 2.687 9.602 ( 0.000 0.000 -1.479) 1.479 9.720 ( 0.000 0.000 2.853) 2.853 9.754 ( 0.000 0.000 -1.224) 1.224 9.811 ( 0.000 0.000 6.338) 6.338 9.917 ( 0.000 0.000 -1.904) 1.904 9.973 ( 0.000 0.000 -6.150) 6.150 10.106 ( 0.000 0.000 -5.102) 5.102 10.117 ( 0.000 0.000 0.745) 0.745 10.406 ( 0.000 0.000 -3.894) 3.894 10.436 ( 0.000 0.000 2.494) 2.494 10.549 ( 0.000 0.000 -2.863) 2.863 10.658 ( 0.000 0.000 0.092) 0.092 10.670 ( 0.000 0.000 -0.665) 0.665 10.677 ( 0.000 0.000 14.296) 14.296 10.869 ( 0.000 0.000 0.106) 0.106 10.934 ( 0.000 0.000 -0.018) 0.018 10.944 ( 0.000 0.000 -0.547) 0.547 11.075 ( 0.000 0.000 -1.090) 1.090 11.091 ( 0.000 0.000 5.922) 5.922 11.182 ( 0.000 0.000 -2.772) 2.772 11.188 ( 0.000 0.000 -0.189) 0.189 11.577 ( 0.000 0.000 8.751) 8.751 11.932 ( 0.000 0.000 2.314) 2.314 11.992 ( 0.000 0.000 -5.742) 5.742 12.140 ( 0.000 0.000 -5.617) 5.617 12.738 ( 0.000 0.000 14.147) 14.147 12.819 ( 0.000 0.000 -0.138) 0.138 13.007 ( 0.000 0.000 -7.504) 7.504 13.324 ( 0.000 0.000 3.651) 3.651 13.384 ( 0.000 0.000 8.337) 8.337 13.539 ( 0.000 0.000 -2.717) 2.717 13.585 ( 0.000 0.000 -15.341) 15.341 13.728 ( 0.000 0.000 11.019) 11.019 13.850 ( 0.000 0.000 -8.214) 8.214 14.083 ( 0.000 0.000 -1.059) 1.059 14.086 ( 0.000 0.000 -5.397) 5.397 14.181 ( 0.000 0.000 -1.923) 1.923 15.137 ( 0.000 0.000 0.052) 0.052 15.145 ( 0.000 0.000 -1.197) 1.197 15.156 ( 0.000 0.000 3.968) 3.968 15.221 ( 0.000 0.000 3.411) 3.411 15.317 ( 0.000 0.000 -2.595) 2.595 15.329 ( 0.000 0.000 4.651) 4.651 15.555 ( 0.000 0.000 -4.556) 4.556 15.656 ( 0.000 0.000 0.928) 0.928 15.691 ( 0.000 0.000 -4.637) 4.637 15.697 ( 0.000 0.000 -0.610) 0.610 15.885 ( 0.000 0.000 -1.005) 1.005 15.937 ( 0.000 0.000 -3.655) 3.655 16.073 ( 0.000 0.000 6.819) 6.819 16.335 ( 0.000 0.000 -3.934) 3.934 16.496 ( 0.000 0.000 1.330) 1.330 16.536 ( 0.000 0.000 -1.070) 1.070 17.053 ( 0.000 0.000 1.598) 1.598 17.120 ( 0.000 0.000 -0.948) 0.948 17.241 ( 0.000 0.000 9.504) 9.504 17.494 ( 0.000 0.000 1.330) 1.330 17.540 ( 0.000 0.000 -4.205) 4.205 17.624 ( 0.000 0.000 -4.690) 4.690 17.755 ( 0.000 0.000 1.353) 1.353 17.791 ( 0.000 0.000 -0.281) 0.281 17.886 ( 0.000 0.000 4.911) 4.911 18.011 ( 0.000 0.000 -1.251) 1.251 18.243 ( 0.000 0.000 8.413) 8.413 18.328 ( 0.000 0.000 4.314) 4.314 18.578 ( 0.000 0.000 -4.848) 4.848 18.749 ( 0.000 0.000 -11.629) 11.629 19.054 ( 0.000 0.000 2.618) 2.618 19.086 ( 0.000 0.000 0.002) 0.002 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 15.958 0.000 16.310) 22.818 0.757 ( 17.534 0.000 18.808) 25.713 1.388 ( 25.310 0.000 26.676) 36.772 1.488 ( 3.391 0.000 -9.579) 10.161 1.506 ( -0.400 0.000 -6.456) 6.468 1.564 ( -5.049 0.000 -0.871) 5.124 1.588 ( -11.223 0.000 -1.217) 11.289 1.962 ( -12.444 0.000 -11.873) 17.200 2.044 ( 2.311 0.000 -2.335) 3.285 2.213 ( -10.603 0.000 -4.645) 11.576 2.238 ( 9.534 0.000 0.671) 9.557 2.341 ( -3.087 0.000 -0.901) 3.216 2.355 ( 0.668 0.000 5.346) 5.387 2.435 ( 2.955 0.000 6.754) 7.372 2.478 ( 6.527 0.000 4.560) 7.962 2.564 ( 3.923 0.000 3.590) 5.318 2.573 ( 0.829 0.000 7.770) 7.814 2.636 ( -0.497 0.000 10.766) 10.777 2.638 ( 1.417 0.000 1.055) 1.766 2.709 ( 2.122 0.000 1.333) 2.506 2.769 ( 4.131 0.000 -13.219) 13.849 2.874 ( 2.895 0.000 0.837) 3.014 2.884 ( 4.961 0.000 -0.323) 4.972 2.904 ( -11.915 0.000 -3.554) 12.433 2.923 ( -0.136 0.000 3.736) 3.739 3.001 ( 4.516 0.000 -4.429) 6.325 3.020 ( 0.378 0.000 -0.603) 0.712 3.043 ( 1.124 0.000 -1.412) 1.805 3.099 ( 2.483 0.000 0.362) 2.509 3.116 ( -0.373 0.000 -2.984) 3.007 3.127 ( 4.434 0.000 -1.298) 4.620 3.176 ( -7.334 0.000 5.201) 8.991 3.247 ( -3.030 0.000 -0.452) 3.063 3.270 ( 2.500 0.000 4.443) 5.098 3.345 ( -7.907 0.000 3.088) 8.488 3.377 ( 1.997 0.000 -0.582) 2.080 3.414 ( 1.827 0.000 5.051) 5.371 3.507 ( -7.061 0.000 -2.980) 7.664 3.547 ( -1.472 0.000 -3.653) 3.938 3.593 ( -3.173 0.000 -0.695) 3.248 3.623 ( -0.522 0.000 0.517) 0.735 3.642 ( -1.938 0.000 -5.252) 5.598 3.689 ( 3.118 0.000 -0.557) 3.168 3.704 ( -5.542 0.000 -0.835) 5.605 3.743 ( -3.882 0.000 -10.363) 11.067 3.756 ( -1.740 0.000 2.059) 2.696 3.835 ( 1.075 0.000 -2.029) 2.296 3.864 ( -2.163 0.000 -9.714) 9.952 3.929 ( 0.332 0.000 -4.534) 4.546 3.978 ( -6.622 0.000 1.068) 6.708 4.030 ( 0.144 0.000 -5.940) 5.941 4.121 ( 1.059 0.000 0.457) 1.154 4.198 ( 2.218 0.000 -2.858) 3.618 4.281 ( 1.512 0.000 4.971) 5.196 4.389 ( 8.108 0.000 1.136) 8.187 4.538 ( -8.392 0.000 9.431) 12.624 4.588 ( -2.417 0.000 -1.839) 3.037 4.683 ( 2.999 0.000 -1.995) 3.602 4.725 ( -6.416 0.000 0.068) 6.416 4.841 ( -1.101 0.000 -2.057) 2.333 4.895 ( 1.298 0.000 0.628) 1.443 4.919 ( -2.637 0.000 -0.147) 2.641 5.022 ( -2.135 0.000 1.578) 2.655 5.079 ( -4.321 0.000 -1.270) 4.504 5.179 ( 9.546 0.000 5.388) 10.961 5.253 ( 5.462 0.000 4.812) 7.280 5.401 ( -1.790 0.000 -1.957) 2.652 5.427 ( 1.964 0.000 -4.658) 5.055 5.625 ( 5.599 0.000 1.598) 5.822 5.780 ( 11.769 0.000 -3.721) 12.343 5.853 ( -3.374 0.000 7.972) 8.657 6.189 ( -5.953 0.000 -5.319) 7.983 6.691 ( 3.862 0.000 1.977) 4.338 6.730 ( -0.723 0.000 3.163) 3.245 6.772 ( -2.798 0.000 6.541) 7.114 6.894 ( 5.302 0.000 0.019) 5.302 6.915 ( -5.033 0.000 2.177) 5.484 7.130 ( -3.667 0.000 -3.544) 5.100 7.142 ( 0.948 0.000 -7.373) 7.434 7.156 ( 0.510 0.000 -6.768) 6.787 7.603 ( -0.782 0.000 3.494) 3.581 7.695 ( -5.379 0.000 5.480) 7.679 7.803 ( 2.760 0.000 -4.557) 5.328 7.869 ( -0.241 0.000 4.011) 4.018 7.930 ( -1.971 0.000 -1.723) 2.618 7.950 ( 3.082 0.000 2.949) 4.265 7.988 ( -2.019 0.000 3.503) 4.043 8.048 ( -2.541 0.000 3.906) 4.660 8.049 ( 1.125 0.000 -4.019) 4.173 8.120 ( 3.684 0.000 -0.431) 3.709 8.140 ( -1.830 0.000 -1.778) 2.552 8.183 ( -2.417 0.000 -3.355) 4.135 8.249 ( 5.428 0.000 -3.119) 6.260 8.332 ( 1.907 0.000 1.622) 2.504 8.333 ( -3.588 0.000 -6.957) 7.828 8.511 ( -0.622 0.000 -4.919) 4.958 8.631 ( 0.298 0.000 3.327) 3.341 8.678 ( -0.301 0.000 5.113) 5.122 8.699 ( 1.032 0.000 2.378) 2.592 8.714 ( 1.578 0.000 -0.812) 1.775 8.749 ( 4.534 0.000 3.807) 5.920 8.905 ( -0.140 0.000 -0.912) 0.922 8.971 ( -0.627 0.000 -2.887) 2.954 8.994 ( -1.547 0.000 -4.734) 4.980 9.077 ( 0.665 0.000 1.749) 1.871 9.148 ( -0.322 0.000 -0.906) 0.962 9.233 ( -2.046 0.000 -0.395) 2.083 9.273 ( -4.241 0.000 -2.221) 4.787 9.374 ( 0.701 0.000 4.506) 4.560 9.390 ( 0.699 0.000 1.916) 2.040 9.423 ( 1.383 0.000 3.386) 3.658 9.555 ( 2.707 0.000 -6.781) 7.302 9.646 ( -6.979 0.000 -0.526) 6.999 9.785 ( -1.482 0.000 3.732) 4.016 9.803 ( -8.666 0.000 0.210) 8.669 9.819 ( 1.336 0.000 -2.713) 3.024 10.001 ( 2.684 0.000 -1.524) 3.087 10.102 ( -1.606 0.000 0.840) 1.812 10.179 ( 4.609 0.000 -4.644) 6.543 10.325 ( -4.082 0.000 -2.340) 4.705 10.517 ( 3.297 0.000 1.503) 3.623 10.578 ( -0.487 0.000 6.337) 6.355 10.604 ( 5.727 0.000 -2.602) 6.290 10.726 ( -1.194 0.000 6.699) 6.805 10.753 ( 5.234 0.000 -2.480) 5.791 10.888 ( -4.337 0.000 1.396) 4.556 10.906 ( -0.314 0.000 2.707) 2.725 10.921 ( -2.099 0.000 -1.979) 2.884 11.021 ( 1.484 0.000 1.987) 2.480 11.148 ( 0.349 0.000 5.610) 5.620 11.211 ( 1.700 0.000 0.749) 1.858 11.214 ( 1.810 0.000 -0.004) 1.810 11.693 ( 11.528 0.000 4.817) 12.494 12.072 ( 7.704 0.000 -3.745) 8.566 12.141 ( 16.836 0.000 -4.707) 17.481 12.220 ( -0.352 0.000 0.069) 0.358 12.626 ( -6.865 0.000 9.876) 12.028 12.857 ( 0.598 0.000 2.598) 2.666 12.944 ( -7.587 0.000 -0.446) 7.600 13.069 ( -4.416 0.000 -9.373) 10.362 13.345 ( -3.066 0.000 8.115) 8.675 13.491 ( -6.905 0.000 -1.429) 7.051 13.683 ( -0.928 0.000 10.007) 10.050 13.767 ( 2.952 0.000 -12.027) 12.384 13.837 ( 1.100 0.000 -8.301) 8.374 13.993 ( -4.490 0.000 -3.160) 5.490 14.005 ( -5.787 0.000 -4.093) 7.088 14.090 ( -5.074 0.000 -1.409) 5.266 15.121 ( -0.618 0.000 0.807) 1.017 15.144 ( -0.987 0.000 2.229) 2.438 15.149 ( 0.415 0.000 -1.181) 1.252 15.217 ( -3.467 0.000 0.505) 3.503 15.280 ( 3.773 0.000 2.775) 4.684 15.470 ( -7.219 0.000 1.992) 7.489 15.474 ( 6.491 0.000 -2.758) 7.053 15.567 ( 0.787 0.000 -5.415) 5.472 15.727 ( 2.777 0.000 1.940) 3.388 15.778 ( 3.824 0.000 2.208) 4.416 15.873 ( -1.738 0.000 0.542) 1.820 15.936 ( -1.949 0.000 -4.272) 4.695 16.091 ( 2.404 0.000 6.112) 6.568 16.361 ( -9.251 0.000 2.060) 9.477 16.361 ( 2.629 0.000 -4.767) 5.444 16.500 ( -2.686 0.000 -4.616) 5.341 17.243 ( 13.494 0.000 2.071) 13.652 17.273 ( 4.264 0.000 7.388) 8.531 17.338 ( 6.866 0.000 0.419) 6.879 17.512 ( 2.646 0.000 0.090) 2.647 17.576 ( 2.414 0.000 -3.316) 4.101 17.606 ( -1.685 0.000 -4.052) 4.388 17.713 ( -5.368 0.000 1.979) 5.721 17.728 ( -2.544 0.000 0.515) 2.595 17.927 ( 4.428 0.000 4.838) 6.559 18.127 ( 7.685 0.000 -5.510) 9.456 18.253 ( -6.845 0.000 4.331) 8.100 18.260 ( 1.134 0.000 7.634) 7.717 18.569 ( -0.250 0.000 -4.517) 4.524 18.779 ( 2.977 0.000 -9.823) 10.264 18.829 ( -14.788 0.000 9.376) 17.509 18.993 ( -5.238 0.000 -0.022) 5.238 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -22.018 0.000 9.121) 23.833 1.073 ( 22.018 0.000 9.121) 23.833 1.127 ( -18.211 0.000 16.297) 24.438 1.127 ( 18.211 0.000 16.297) 24.438 1.695 ( -9.719 0.000 -18.605) 20.991 1.695 ( 9.719 0.000 -18.605) 20.991 1.873 ( -16.183 0.000 -15.683) 22.536 1.873 ( 16.183 0.000 -15.683) 22.536 2.183 ( -31.995 0.000 14.620) 35.177 2.183 ( 31.995 0.000 14.620) 35.177 2.203 ( -7.658 0.000 5.161) 9.235 2.203 ( 7.658 0.000 5.161) 9.235 2.359 ( -1.409 0.000 3.976) 4.218 2.359 ( 1.409 0.000 3.976) 4.218 2.509 ( -4.657 0.000 7.048) 8.447 2.509 ( 4.657 0.000 7.048) 8.447 2.622 ( -4.015 0.000 9.053) 9.903 2.622 ( 4.015 0.000 9.053) 9.903 2.687 ( -11.256 0.000 1.149) 11.314 2.687 ( 11.256 0.000 1.149) 11.314 2.770 ( -6.519 0.000 1.749) 6.750 2.770 ( 6.519 0.000 1.749) 6.750 2.914 ( -3.173 0.000 -2.579) 4.089 2.914 ( 3.173 0.000 -2.579) 4.089 3.051 ( -8.302 0.000 0.150) 8.303 3.051 ( 8.302 0.000 0.150) 8.303 3.071 ( -2.322 0.000 -7.289) 7.650 3.071 ( 2.322 0.000 -7.289) 7.650 3.115 ( -1.673 0.000 -1.940) 2.562 3.115 ( 1.673 0.000 -1.940) 2.562 3.174 ( -6.220 0.000 4.584) 7.727 3.174 ( 6.220 0.000 4.584) 7.727 3.194 ( -2.650 0.000 -3.744) 4.587 3.194 ( 2.650 0.000 -3.744) 4.587 3.311 ( -8.099 0.000 0.299) 8.104 3.311 ( 8.099 0.000 0.299) 8.104 3.497 ( -4.628 0.000 0.870) 4.709 3.497 ( 4.628 0.000 0.870) 4.709 3.500 ( -4.163 0.000 -2.276) 4.745 3.500 ( 4.163 0.000 -2.276) 4.745 3.612 ( -1.448 0.000 -4.813) 5.026 3.612 ( 1.448 0.000 -4.813) 5.026 3.661 ( -4.086 0.000 2.033) 4.564 3.661 ( 4.086 0.000 2.033) 4.564 3.775 ( -5.040 0.000 -1.211) 5.183 3.775 ( 5.040 0.000 -1.211) 5.183 3.791 ( -4.346 0.000 -9.115) 10.098 3.791 ( 4.346 0.000 -9.115) 10.098 3.924 ( -1.643 0.000 -3.995) 4.320 3.924 ( 1.643 0.000 -3.995) 4.320 4.063 ( -3.246 0.000 -6.434) 7.207 4.063 ( 3.246 0.000 -6.434) 7.207 4.369 ( -7.017 0.000 6.193) 9.359 4.369 ( 7.017 0.000 6.193) 9.359 4.403 ( -12.324 0.000 1.455) 12.409 4.403 ( 12.324 0.000 1.455) 12.409 4.564 ( -8.249 0.000 1.640) 8.410 4.564 ( 8.249 0.000 1.640) 8.410 4.779 ( -4.283 0.000 -4.634) 6.310 4.779 ( 4.283 0.000 -4.634) 6.310 4.954 ( -3.682 0.000 1.525) 3.985 4.954 ( 3.682 0.000 1.525) 3.985 4.971 ( -5.043 0.000 -0.197) 5.047 4.971 ( 5.043 0.000 -0.197) 5.047 5.335 ( -5.024 0.000 2.265) 5.512 5.335 ( 5.024 0.000 2.265) 5.512 5.377 ( -5.506 0.000 1.828) 5.801 5.377 ( 5.506 0.000 1.828) 5.801 5.753 ( -5.952 0.000 5.042) 7.801 5.753 ( 5.952 0.000 5.042) 7.801 6.017 ( -10.260 0.000 -4.542) 11.220 6.017 ( 10.260 0.000 -4.542) 11.220 6.733 ( -0.950 0.000 5.311) 5.395 6.733 ( 0.950 0.000 5.311) 5.395 6.796 ( -5.862 0.000 1.977) 6.186 6.796 ( 5.862 0.000 1.977) 6.186 7.022 ( -6.288 0.000 -2.152) 6.646 7.022 ( 6.288 0.000 -2.152) 6.646 7.157 ( -0.426 0.000 -6.962) 6.975 7.157 ( 0.426 0.000 -6.962) 6.975 7.612 ( -2.163 0.000 4.471) 4.967 7.612 ( 2.163 0.000 4.471) 4.967 7.873 ( -3.536 0.000 -5.137) 6.237 7.873 ( 3.536 0.000 -5.137) 6.237 7.903 ( -3.440 0.000 3.253) 4.735 7.903 ( 3.440 0.000 3.253) 4.735 8.013 ( -2.005 0.000 3.968) 4.446 8.013 ( 2.005 0.000 3.968) 4.446 8.080 ( -2.676 0.000 -2.711) 3.809 8.080 ( 2.676 0.000 -2.711) 3.809 8.156 ( -1.418 0.000 -2.651) 3.006 8.156 ( 1.418 0.000 -2.651) 3.006 8.334 ( -2.096 0.000 0.443) 2.143 8.334 ( 2.096 0.000 0.443) 2.143 8.412 ( -8.056 0.000 -1.527) 8.200 8.412 ( 8.056 0.000 -1.527) 8.200 8.655 ( -1.533 0.000 4.685) 4.929 8.655 ( 1.533 0.000 4.685) 4.929 8.719 ( -0.942 0.000 0.329) 0.998 8.719 ( 0.942 0.000 0.329) 0.998 8.864 ( -4.628 0.000 -1.242) 4.792 8.864 ( 4.628 0.000 -1.242) 4.792 8.972 ( -0.694 0.000 -4.481) 4.534 8.972 ( 0.694 0.000 -4.481) 4.534 9.134 ( -5.449 0.000 0.275) 5.456 9.134 ( 5.449 0.000 0.275) 5.456 9.166 ( -2.903 0.000 -0.720) 2.991 9.166 ( 2.903 0.000 -0.720) 2.991 9.387 ( -0.884 0.000 3.239) 3.357 9.387 ( 0.884 0.000 3.239) 3.357 9.533 ( -5.195 0.000 -3.440) 6.231 9.533 ( 5.195 0.000 -3.440) 6.231 9.633 ( -5.840 0.000 1.527) 6.036 9.633 ( 5.840 0.000 1.527) 6.036 9.790 ( -2.144 0.000 -2.012) 2.940 9.790 ( 2.144 0.000 -2.012) 2.940 10.060 ( -2.448 0.000 1.072) 2.672 10.060 ( 2.448 0.000 1.072) 2.672 10.259 ( -3.050 0.000 -3.516) 4.654 10.259 ( 3.050 0.000 -3.516) 4.654 10.557 ( -3.222 0.000 6.179) 6.969 10.557 ( 3.222 0.000 6.179) 6.969 10.749 ( -6.994 0.000 -0.634) 7.023 10.749 ( 6.994 0.000 -0.634) 7.023 10.796 ( -7.206 0.000 3.006) 7.807 10.796 ( 7.206 0.000 3.006) 7.807 10.860 ( -3.522 0.000 -2.363) 4.241 10.860 ( 3.522 0.000 -2.363) 4.241 11.107 ( -3.858 0.000 6.204) 7.306 11.107 ( 3.858 0.000 6.204) 7.306 11.232 ( -0.211 0.000 1.918) 1.929 11.232 ( 0.211 0.000 1.918) 1.929 12.004 ( -16.176 0.000 6.580) 17.463 12.004 ( 16.176 0.000 6.580) 17.463 12.263 ( -8.196 0.000 -4.171) 9.196 12.263 ( 8.196 0.000 -4.171) 9.196 12.722 ( -14.633 0.000 1.520) 14.712 12.722 ( 14.633 0.000 1.520) 14.712 12.967 ( -6.362 0.000 -10.034) 11.881 12.967 ( 6.362 0.000 -10.034) 11.881 13.320 ( -3.493 0.000 5.626) 6.622 13.320 ( 3.493 0.000 5.626) 6.622 13.713 ( -3.751 0.000 0.331) 3.766 13.713 ( 3.751 0.000 0.331) 3.766 13.917 ( -3.698 0.000 -8.670) 9.426 13.917 ( 3.698 0.000 -8.670) 9.426 13.994 ( -3.632 0.000 -1.770) 4.040 13.994 ( 3.632 0.000 -1.770) 4.040 15.123 ( -0.777 0.000 0.964) 1.239 15.123 ( 0.777 0.000 0.964) 1.239 15.167 ( -1.489 0.000 -0.743) 1.664 15.167 ( 1.489 0.000 -0.743) 1.664 15.361 ( -4.122 0.000 2.696) 4.926 15.361 ( 4.122 0.000 2.696) 4.926 15.562 ( -1.900 0.000 -6.320) 6.599 15.562 ( 1.900 0.000 -6.320) 6.599 15.805 ( -4.245 0.000 3.551) 5.534 15.805 ( 4.245 0.000 3.551) 5.534 15.865 ( -4.247 0.000 -0.222) 4.252 15.865 ( 4.247 0.000 -0.222) 4.252 16.188 ( -6.783 0.000 4.020) 7.884 16.188 ( 6.783 0.000 4.020) 7.884 16.432 ( -3.667 0.000 -5.569) 6.668 16.432 ( 3.667 0.000 -5.569) 6.668 17.354 ( -2.967 0.000 6.659) 7.290 17.354 ( 2.967 0.000 6.659) 7.290 17.487 ( -8.742 0.000 0.268) 8.746 17.487 ( 8.742 0.000 0.268) 8.746 17.603 ( -5.053 0.000 0.389) 5.068 17.603 ( 5.053 0.000 0.389) 5.068 17.659 ( -3.753 0.000 -2.165) 4.333 17.659 ( 3.753 0.000 -2.165) 4.333 18.075 ( -9.073 0.000 4.504) 10.129 18.075 ( 9.073 0.000 4.504) 10.129 18.248 ( -3.202 0.000 0.959) 3.343 18.248 ( 3.202 0.000 0.959) 3.343 18.615 ( -5.792 0.000 1.688) 6.033 18.615 ( 5.792 0.000 1.688) 6.033 18.871 ( -5.653 0.000 -5.331) 7.770 18.871 ( 5.653 0.000 -5.331) 7.770 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 15.355 15.685) 21.950 0.730 ( 0.000 17.833 16.579) 24.349 1.283 ( 0.000 24.128 33.857) 41.575 1.383 ( 0.000 5.138 -14.785) 15.652 1.526 ( 0.000 5.465 -20.645) 21.356 1.843 ( 0.000 1.191 12.011) 12.070 1.964 ( 0.000 1.925 3.028) 3.588 1.969 ( 0.000 -0.805 1.713) 1.893 2.059 ( 0.000 2.934 1.084) 3.127 2.141 ( 0.000 0.155 0.524) 0.546 2.216 ( 0.000 -0.392 -6.649) 6.661 2.291 ( 0.000 -6.426 6.101) 8.861 2.333 ( 0.000 -0.283 -1.487) 1.514 2.376 ( 0.000 -0.668 -0.006) 0.668 2.415 ( 0.000 -4.996 -2.167) 5.446 2.503 ( 0.000 -0.699 6.624) 6.660 2.535 ( 0.000 -3.051 -1.123) 3.251 2.557 ( 0.000 0.387 1.584) 1.630 2.597 ( 0.000 0.155 -6.996) 6.998 2.680 ( 0.000 -2.015 4.643) 5.061 2.770 ( 0.000 0.780 1.513) 1.702 2.800 ( 0.000 4.196 -14.006) 14.621 2.837 ( 0.000 1.000 0.993) 1.409 2.898 ( 0.000 3.103 -2.388) 3.915 2.966 ( 0.000 -4.510 0.648) 4.556 2.976 ( 0.000 -3.948 1.190) 4.124 3.036 ( 0.000 -1.001 -0.063) 1.003 3.037 ( 0.000 -1.601 -0.060) 1.602 3.089 ( 0.000 -1.031 -2.839) 3.020 3.097 ( 0.000 -0.755 -0.102) 0.762 3.146 ( 0.000 0.793 1.640) 1.822 3.161 ( 0.000 -2.360 -4.786) 5.337 3.218 ( 0.000 -0.641 3.845) 3.899 3.312 ( 0.000 0.337 4.074) 4.088 3.324 ( 0.000 -1.788 3.581) 4.003 3.464 ( 0.000 3.130 3.986) 5.068 3.531 ( 0.000 -2.960 -6.622) 7.254 3.540 ( 0.000 -3.577 1.710) 3.965 3.565 ( 0.000 -0.495 -2.596) 2.643 3.599 ( 0.000 -3.123 0.778) 3.218 3.633 ( 0.000 -4.578 -2.885) 5.412 3.653 ( 0.000 -2.604 -4.501) 5.200 3.655 ( 0.000 1.249 1.868) 2.247 3.683 ( 0.000 -0.065 -6.598) 6.599 3.764 ( 0.000 -0.917 -0.099) 0.922 3.768 ( 0.000 1.314 -0.523) 1.415 3.826 ( 0.000 2.407 -1.695) 2.944 3.844 ( 0.000 -4.635 -0.634) 4.678 3.961 ( 0.000 -8.465 4.057) 9.387 4.034 ( 0.000 3.388 0.039) 3.388 4.060 ( 0.000 3.652 -2.797) 4.600 4.117 ( 0.000 8.188 -4.855) 9.519 4.215 ( 0.000 -2.814 -4.718) 5.493 4.303 ( 0.000 1.432 -5.277) 5.468 4.331 ( 0.000 1.603 8.248) 8.402 4.557 ( 0.000 -8.917 3.467) 9.567 4.559 ( 0.000 -0.741 -0.453) 0.869 4.650 ( 0.000 -5.744 5.960) 8.278 4.769 ( 0.000 -2.847 -4.817) 5.596 4.787 ( 0.000 1.279 -4.123) 4.317 4.948 ( 0.000 -3.006 9.710) 10.164 4.970 ( 0.000 2.370 2.582) 3.505 5.037 ( 0.000 -3.990 7.126) 8.167 5.098 ( 0.000 2.216 1.619) 2.744 5.116 ( 0.000 4.588 -3.579) 5.819 5.166 ( 0.000 -3.667 6.236) 7.234 5.204 ( 0.000 2.500 0.660) 2.585 5.369 ( 0.000 -5.236 -3.535) 6.318 5.549 ( 0.000 -1.286 0.645) 1.439 5.651 ( 0.000 3.123 -3.116) 4.412 5.876 ( 0.000 -0.926 6.466) 6.532 6.156 ( 0.000 -8.766 -4.614) 9.906 6.812 ( 0.000 14.486 0.981) 14.519 6.852 ( 0.000 8.686 -0.180) 8.688 6.866 ( 0.000 7.644 6.242) 9.868 6.918 ( 0.000 10.434 6.108) 12.090 7.027 ( 0.000 5.275 2.222) 5.723 7.162 ( 0.000 3.456 -6.475) 7.339 7.191 ( 0.000 2.448 -3.806) 4.525 7.268 ( 0.000 4.692 -6.142) 7.729 7.617 ( 0.000 0.136 3.706) 3.708 7.733 ( 0.000 -1.814 2.143) 2.808 7.823 ( 0.000 2.157 1.398) 2.570 7.864 ( 0.000 -2.297 5.125) 5.616 7.872 ( 0.000 -1.218 0.437) 1.294 7.916 ( 0.000 -1.866 -0.222) 1.879 7.965 ( 0.000 -3.863 2.480) 4.590 7.965 ( 0.000 -2.964 2.503) 3.879 8.052 ( 0.000 -3.787 0.232) 3.794 8.108 ( 0.000 -0.521 -1.769) 1.844 8.112 ( 0.000 -1.723 -2.586) 3.108 8.164 ( 0.000 -2.002 -4.075) 4.540 8.221 ( 0.000 -0.104 -5.896) 5.896 8.329 ( 0.000 1.553 1.270) 2.006 8.442 ( 0.000 -2.361 -11.570) 11.808 8.464 ( 0.000 1.829 -5.488) 5.785 8.666 ( 0.000 1.420 0.521) 1.513 8.683 ( 0.000 3.943 4.109) 5.694 8.707 ( 0.000 0.832 -1.901) 2.075 8.743 ( 0.000 1.784 5.939) 6.201 8.839 ( 0.000 0.831 3.623) 3.718 8.926 ( 0.000 1.702 -2.614) 3.119 9.031 ( 0.000 0.095 -2.951) 2.953 9.136 ( 0.000 4.653 -0.924) 4.743 9.162 ( 0.000 5.708 -0.482) 5.728 9.214 ( 0.000 -2.953 1.602) 3.359 9.227 ( 0.000 -3.301 3.863) 5.081 9.360 ( 0.000 -1.874 -0.677) 1.993 9.374 ( 0.000 3.257 3.995) 5.155 9.410 ( 0.000 -0.629 -2.384) 2.465 9.458 ( 0.000 8.849 -7.724) 11.746 9.664 ( 0.000 -6.068 -0.830) 6.124 9.688 ( 0.000 -3.303 2.099) 3.913 9.702 ( 0.000 15.073 -21.472) 26.235 9.803 ( 0.000 -1.856 7.783) 8.001 9.910 ( 0.000 5.926 -7.597) 9.635 10.001 ( 0.000 2.163 -6.624) 6.969 10.067 ( 0.000 -4.640 0.241) 4.646 10.133 ( 0.000 2.250 -5.456) 5.901 10.320 ( 0.000 -5.184 -1.863) 5.509 10.490 ( 0.000 2.463 0.796) 2.588 10.579 ( 0.000 2.193 -3.666) 4.272 10.614 ( 0.000 -4.084 1.700) 4.424 10.652 ( 0.000 -2.190 14.770) 14.931 10.667 ( 0.000 -0.519 -0.970) 1.101 10.826 ( 0.000 -3.723 1.299) 3.943 10.903 ( 0.000 -3.241 -1.310) 3.496 10.932 ( 0.000 -0.154 0.559) 0.580 11.071 ( 0.000 -0.464 -1.104) 1.198 11.114 ( 0.000 0.734 4.828) 4.884 11.189 ( 0.000 0.820 -2.581) 2.708 11.252 ( 0.000 6.013 -1.591) 6.220 11.781 ( 0.000 18.009 -9.451) 20.339 11.977 ( 0.000 4.233 2.034) 4.696 12.039 ( 0.000 5.274 -7.492) 9.162 12.180 ( 0.000 4.004 -5.327) 6.664 12.693 ( 0.000 -4.043 14.094) 14.662 12.838 ( 0.000 1.576 -0.909) 1.819 13.013 ( 0.000 0.244 -8.866) 8.869 13.286 ( 0.000 -2.941 6.233) 6.892 13.324 ( 0.000 -5.674 7.309) 9.253 13.554 ( 0.000 1.335 -3.257) 3.520 13.555 ( 0.000 -2.850 -13.425) 13.725 13.714 ( 0.000 -1.226 11.424) 11.489 13.820 ( 0.000 -2.652 -7.720) 8.163 14.051 ( 0.000 -3.026 3.191) 4.398 14.093 ( 0.000 0.646 -5.614) 5.651 14.204 ( 0.000 1.630 -3.260) 3.645 15.145 ( 0.000 0.793 0.545) 0.963 15.161 ( 0.000 0.535 4.340) 4.373 15.175 ( 0.000 2.797 -1.023) 2.978 15.243 ( 0.000 2.145 2.967) 3.661 15.343 ( 0.000 2.397 -3.034) 3.866 15.349 ( 0.000 1.975 3.975) 4.439 15.609 ( 0.000 4.804 -5.534) 7.328 15.688 ( 0.000 -0.105 -3.967) 3.969 15.696 ( 0.000 1.751 1.098) 2.067 15.748 ( 0.000 6.041 -0.614) 6.072 15.855 ( 0.000 -4.112 3.095) 5.146 15.906 ( 0.000 -1.327 -2.303) 2.658 16.100 ( 0.000 2.530 6.810) 7.265 16.226 ( 0.000 -23.661 15.483) 28.276 16.346 ( 0.000 0.997 -3.522) 3.661 16.416 ( 0.000 -7.421 -0.323) 7.428 17.060 ( 0.000 0.823 1.574) 1.776 17.128 ( 0.000 0.747 -0.954) 1.211 17.228 ( 0.000 -0.909 8.881) 8.928 17.489 ( 0.000 -0.568 1.549) 1.650 17.524 ( 0.000 -1.780 -3.542) 3.964 17.616 ( 0.000 -9.150 8.134) 12.243 17.629 ( 0.000 0.387 -4.750) 4.766 17.762 ( 0.000 -3.838 -1.626) 4.168 17.897 ( 0.000 1.073 4.775) 4.894 18.015 ( 0.000 0.449 -1.079) 1.169 18.224 ( 0.000 -1.818 7.865) 8.072 18.295 ( 0.000 -3.046 3.663) 4.764 18.514 ( 0.000 -6.086 -4.323) 7.466 18.618 ( 0.000 -18.484 12.912) 22.547 18.725 ( 0.000 -8.929 -2.228) 9.203 18.955 ( 0.000 -9.336 0.776) 9.368 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 11.990 15.161 13.493) 23.573 0.893 ( 15.489 12.717 14.849) 24.943 1.513 ( 2.461 9.170 13.248) 16.299 1.536 ( 3.610 4.843 -6.639) 8.976 1.570 ( 3.651 6.401 -7.963) 10.850 1.630 ( -6.499 4.650 -0.967) 8.049 1.640 ( 5.957 9.427 8.926) 14.284 1.975 ( -9.953 1.534 -8.678) 13.293 2.069 ( 1.215 2.033 -2.909) 3.751 2.217 ( -3.073 0.324 0.945) 3.231 2.243 ( 1.499 -0.189 -2.715) 3.107 2.326 ( 3.345 -2.507 3.722) 5.597 2.349 ( -1.247 -0.773 4.521) 4.753 2.387 ( 2.277 -2.415 4.371) 5.488 2.444 ( 5.851 -2.618 1.739) 6.642 2.517 ( -0.568 -2.742 6.316) 6.909 2.558 ( 2.791 -1.385 4.051) 5.110 2.605 ( 0.973 -2.344 7.927) 8.324 2.608 ( -0.000 -1.984 -0.367) 2.018 2.706 ( 3.412 -1.455 -1.854) 4.146 2.767 ( 2.848 -1.028 -7.944) 8.501 2.838 ( -1.296 -1.948 -0.546) 2.403 2.867 ( 0.972 -0.907 -0.570) 1.447 2.943 ( -2.356 2.698 -1.997) 4.101 2.945 ( -2.462 -4.047 -1.777) 5.059 2.986 ( -0.668 -0.248 -2.660) 2.754 3.028 ( 1.535 0.774 -0.914) 1.947 3.043 ( 3.848 -0.143 -0.259) 3.859 3.078 ( 0.944 -2.946 -2.824) 4.189 3.100 ( 0.870 -1.658 -1.367) 2.319 3.121 ( 1.305 -0.493 -0.945) 1.685 3.195 ( -6.795 1.913 4.742) 8.504 3.216 ( -2.110 -1.840 1.209) 3.050 3.279 ( 3.926 -0.724 3.420) 5.257 3.304 ( 0.201 -1.957 -0.515) 2.034 3.411 ( -5.975 3.581 1.487) 7.123 3.455 ( -1.633 1.568 3.227) 3.942 3.489 ( -5.072 -2.753 -0.859) 5.834 3.531 ( -1.744 -2.286 -1.912) 3.454 3.567 ( -1.827 -1.954 -2.948) 3.981 3.602 ( -1.337 -2.242 0.271) 2.624 3.633 ( -0.017 -1.365 -1.796) 2.256 3.676 ( 1.037 -1.600 -1.285) 2.299 3.716 ( 0.595 2.510 -3.258) 4.156 3.754 ( 0.343 3.023 -2.388) 3.868 3.775 ( -0.273 1.273 1.417) 1.925 3.837 ( -2.130 2.136 -2.067) 3.657 3.851 ( 0.648 -6.253 -3.798) 7.345 3.905 ( -5.695 2.531 -4.936) 7.950 3.971 ( 0.520 -5.374 1.591) 5.629 4.048 ( -7.749 4.216 -3.160) 9.371 4.091 ( 1.818 -0.187 -0.749) 1.975 4.129 ( -0.403 -3.315 -6.167) 7.013 4.279 ( -0.726 -1.600 -2.080) 2.722 4.394 ( 3.778 -1.821 0.622) 4.240 4.491 ( -7.038 -3.959 0.267) 8.080 4.569 ( -2.705 -2.098 0.810) 3.518 4.632 ( 4.904 0.585 0.457) 4.960 4.756 ( -0.581 -0.812 2.300) 2.507 4.870 ( 3.472 2.601 0.233) 4.345 4.940 ( -3.224 6.114 1.524) 7.078 4.988 ( 0.781 2.592 1.905) 3.310 5.034 ( -2.972 1.059 2.402) 3.965 5.116 ( -0.922 1.195 0.459) 1.578 5.154 ( 6.244 -2.421 4.214) 7.913 5.222 ( 4.732 -2.246 2.511) 5.808 5.253 ( 4.086 -8.990 2.715) 10.241 5.351 ( -1.815 -5.230 -2.009) 5.889 5.648 ( 6.181 1.581 0.019) 6.380 5.744 ( 8.820 -2.753 -2.858) 9.671 5.848 ( -2.679 -0.209 5.275) 5.920 6.100 ( -5.314 -8.298 -4.376) 10.782 6.817 ( -0.257 10.198 2.888) 10.603 6.838 ( -1.232 8.320 4.131) 9.370 6.861 ( 1.712 11.624 2.090) 11.934 6.958 ( 1.490 7.978 3.331) 8.773 7.034 ( 1.233 8.326 -0.817) 8.456 7.165 ( -2.069 3.734 -3.511) 5.527 7.180 ( 1.163 3.494 -4.969) 6.185 7.242 ( -2.093 5.462 -5.254) 7.862 7.609 ( -0.589 0.510 3.726) 3.806 7.686 ( -4.036 -0.688 4.650) 6.196 7.813 ( 1.688 0.630 -3.266) 3.730 7.849 ( 0.307 -1.710 3.701) 4.089 7.921 ( -0.601 -0.508 -1.344) 1.557 7.936 ( 1.763 -1.594 2.672) 3.576 7.963 ( -0.201 -2.170 3.184) 3.858 8.005 ( -1.764 -3.289 0.760) 3.809 8.020 ( 2.630 -3.433 0.439) 4.347 8.111 ( 0.663 -0.706 -2.684) 2.853 8.131 ( 1.501 0.151 -0.714) 1.669 8.166 ( -2.071 -1.602 -2.681) 3.748 8.254 ( 5.384 -0.403 -3.724) 6.559 8.329 ( -2.738 -0.937 -5.391) 6.119 8.350 ( -0.623 1.051 -0.692) 1.405 8.512 ( -0.853 -0.125 -5.182) 5.253 8.653 ( 1.021 0.037 2.052) 2.292 8.698 ( 0.105 1.033 0.806) 1.315 8.737 ( -0.992 1.075 5.009) 5.218 8.762 ( 3.281 3.990 -2.128) 5.587 8.826 ( -0.626 1.315 3.542) 3.830 8.913 ( -1.799 2.183 -3.699) 4.656 8.989 ( -2.270 2.100 -1.804) 3.580 9.087 ( -2.979 3.709 -3.430) 5.864 9.139 ( -0.200 5.314 1.625) 5.560 9.207 ( -0.932 0.532 -0.070) 1.075 9.258 ( -0.919 1.534 -0.686) 1.915 9.324 ( -5.376 8.507 -2.634) 10.402 9.363 ( -1.490 -1.051 0.765) 1.978 9.386 ( 1.011 -0.518 0.564) 1.269 9.399 ( -0.500 0.160 1.417) 1.511 9.557 ( -4.069 2.632 -9.248) 10.440 9.586 ( -5.090 -4.421 1.038) 6.821 9.755 ( -3.088 -1.332 0.799) 3.457 9.801 ( 0.063 -0.918 -0.742) 1.182 9.825 ( -3.734 0.440 2.320) 4.418 9.985 ( 0.810 -0.805 -2.473) 2.724 10.060 ( -0.976 -4.019 0.327) 4.149 10.198 ( 4.040 1.390 -4.961) 6.547 10.307 ( -2.902 -0.959 -3.830) 4.900 10.523 ( 5.454 -0.600 0.137) 5.489 10.550 ( -2.619 -1.210 6.922) 7.499 10.617 ( 3.306 0.434 -1.347) 3.596 10.726 ( 1.328 0.188 4.292) 4.497 10.737 ( 5.246 -1.610 -1.399) 5.663 10.864 ( -3.519 -3.220 -1.745) 5.079 10.872 ( -0.674 -1.173 3.633) 3.877 10.944 ( 1.873 1.156 2.090) 3.035 11.033 ( -0.051 0.907 1.087) 1.417 11.129 ( 0.289 -1.614 5.236) 5.487 11.202 ( 0.874 -0.832 -0.014) 1.207 11.248 ( -0.732 3.036 0.353) 3.143 11.805 ( 6.354 10.276 -0.259) 12.085 12.108 ( 6.772 3.664 -4.363) 8.850 12.164 ( 15.506 2.236 -3.845) 16.132 12.264 ( -1.371 4.424 0.614) 4.672 12.616 ( -3.830 -0.956 9.396) 10.192 12.851 ( -0.397 -0.216 0.610) 0.760 12.961 ( -10.464 0.721 0.577) 10.504 13.050 ( -1.459 -1.701 -11.110) 11.334 13.306 ( -1.783 -3.599 8.653) 9.540 13.485 ( -7.695 -0.854 -1.625) 7.911 13.671 ( -1.230 -0.934 11.517) 11.620 13.755 ( 4.354 -1.107 -12.430) 13.217 13.802 ( 0.368 -2.940 -4.812) 5.651 13.915 ( -3.973 -4.820 -1.837) 6.511 14.057 ( -6.354 2.340 -5.055) 8.450 14.103 ( -5.306 0.829 -2.778) 6.047 15.129 ( -0.683 0.887 1.305) 1.719 15.148 ( -0.996 0.573 2.671) 2.908 15.185 ( 0.593 3.173 -1.630) 3.616 15.248 ( -2.729 2.811 0.150) 3.921 15.306 ( 3.635 2.510 2.608) 5.130 15.473 ( 0.041 0.808 -0.678) 1.056 15.509 ( -0.293 2.329 0.462) 2.393 15.610 ( -0.198 3.920 -6.425) 7.529 15.758 ( 3.689 2.575 2.504) 5.148 15.800 ( 2.350 1.403 3.062) 4.106 15.879 ( -0.072 0.973 -0.257) 1.010 15.916 ( -1.179 -1.435 -2.672) 3.254 16.100 ( 0.892 1.045 6.772) 6.910 16.305 ( -7.438 -5.078 1.073) 9.070 16.351 ( 3.419 -4.813 -2.948) 6.599 16.384 ( 2.894 -6.674 -2.566) 7.713 17.224 ( 11.867 -1.588 2.132) 12.161 17.267 ( 4.298 -0.644 7.519) 8.685 17.305 ( 8.802 -2.944 -0.396) 9.289 17.479 ( 0.256 -3.190 1.580) 3.569 17.564 ( 1.588 -2.176 -1.431) 3.050 17.592 ( -0.922 -5.273 1.627) 5.594 17.608 ( -2.389 -1.574 -1.782) 3.370 17.724 ( -3.096 -2.647 -1.823) 4.463 17.933 ( 3.912 0.711 4.449) 5.967 18.099 ( 6.839 -2.178 -3.967) 8.201 18.222 ( -5.320 -2.553 4.094) 7.182 18.246 ( 0.293 -1.605 6.801) 6.994 18.488 ( -1.802 -7.669 -2.977) 8.422 18.577 ( -4.064 -15.510 13.755) 21.125 18.731 ( 1.844 -5.517 -8.118) 9.987 18.905 ( -4.286 -8.327 -1.268) 9.451 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -16.937 9.830 9.338) 21.695 1.187 ( 16.937 9.830 9.338) 21.695 1.212 ( -14.250 8.714 14.440) 22.080 1.212 ( 14.250 8.714 14.440) 22.080 1.728 ( -8.566 3.381 -16.032) 18.489 1.728 ( 8.566 3.381 -16.032) 18.489 1.915 ( -15.217 3.961 -14.290) 21.247 1.915 ( 15.217 3.961 -14.290) 21.247 2.200 ( -6.358 -0.336 4.986) 8.087 2.200 ( 6.358 -0.336 4.986) 8.087 2.250 ( -25.656 5.945 12.143) 29.001 2.250 ( 25.656 5.945 12.143) 29.001 2.361 ( -2.604 0.460 3.816) 4.643 2.361 ( 2.604 0.460 3.816) 4.643 2.462 ( -3.792 -3.930 9.115) 10.626 2.462 ( 3.792 -3.930 9.115) 10.626 2.590 ( -3.372 -2.527 4.818) 6.401 2.590 ( 3.372 -2.527 4.818) 6.401 2.653 ( -8.911 -2.343 -0.012) 9.213 2.653 ( 8.911 -2.343 -0.012) 9.213 2.786 ( -3.862 -0.624 -0.664) 3.968 2.786 ( 3.862 -0.624 -0.664) 3.968 2.888 ( -3.293 -2.669 -2.537) 4.940 2.888 ( 3.293 -2.669 -2.537) 4.940 3.015 ( -3.244 -1.872 -0.490) 3.777 3.015 ( 3.244 -1.872 -0.490) 3.777 3.060 ( -2.549 -3.062 -3.795) 5.503 3.060 ( 2.549 -3.062 -3.795) 5.503 3.103 ( -1.097 -0.810 -3.149) 3.431 3.103 ( 1.097 -0.810 -3.149) 3.431 3.147 ( -2.865 -0.019 2.017) 3.503 3.147 ( 2.865 -0.019 2.017) 3.503 3.227 ( -5.270 -0.301 -2.220) 5.727 3.227 ( 5.270 -0.301 -2.220) 5.727 3.321 ( -4.563 0.953 1.933) 5.046 3.321 ( 4.563 0.953 1.933) 5.046 3.468 ( -4.467 -0.873 0.769) 4.616 3.468 ( 4.467 -0.873 0.769) 4.616 3.512 ( -1.445 -0.009 1.040) 1.780 3.512 ( 1.445 -0.009 1.040) 1.780 3.613 ( -1.886 -0.299 -1.063) 2.186 3.613 ( 1.886 -0.299 -1.063) 2.186 3.686 ( -0.886 2.167 -1.380) 2.717 3.686 ( 0.886 2.167 -1.380) 2.717 3.763 ( -0.736 1.006 -1.802) 2.191 3.763 ( 0.736 1.006 -1.802) 2.191 3.857 ( -0.658 -4.515 -2.594) 5.248 3.857 ( 0.658 -4.515 -2.594) 5.248 3.876 ( -6.045 5.895 -7.749) 11.460 3.876 ( 6.045 5.895 -7.749) 11.460 4.017 ( -3.618 -4.611 -3.355) 6.754 4.017 ( 3.618 -4.611 -3.355) 6.754 4.304 ( -7.362 -6.148 -0.711) 9.618 4.304 ( 7.362 -6.148 -0.711) 9.618 4.340 ( -2.798 -3.631 -4.037) 6.108 4.340 ( 2.798 -3.631 -4.037) 6.108 4.618 ( -4.924 4.562 5.891) 8.931 4.618 ( 4.924 4.562 5.891) 8.931 4.836 ( -6.657 3.090 -2.200) 7.662 4.836 ( 6.657 3.090 -2.200) 7.662 4.946 ( -4.144 2.259 3.719) 6.009 4.946 ( 4.144 2.259 3.719) 6.009 5.043 ( -3.700 3.282 1.050) 5.056 5.043 ( 3.700 3.282 1.050) 5.056 5.285 ( -4.468 -4.824 1.491) 6.743 5.285 ( 4.468 -4.824 1.491) 6.743 5.294 ( -1.972 -6.257 2.059) 6.876 5.294 ( 1.972 -6.257 2.059) 6.876 5.765 ( -5.020 1.369 2.561) 5.799 5.765 ( 5.020 1.369 2.561) 5.799 5.946 ( -9.147 -6.771 -3.608) 11.939 5.946 ( 9.147 -6.771 -3.608) 11.939 6.816 ( -0.486 8.241 4.265) 9.292 6.816 ( 0.486 8.241 4.265) 9.292 6.925 ( -3.425 10.173 0.917) 10.773 6.925 ( 3.425 10.173 0.917) 10.773 7.102 ( -3.954 7.734 -1.635) 8.839 7.102 ( 3.954 7.734 -1.635) 8.839 7.204 ( -1.266 4.147 -4.956) 6.585 7.204 ( 1.266 4.147 -4.956) 6.585 7.617 ( -1.876 0.482 4.325) 4.738 7.617 ( 1.876 0.482 4.325) 4.738 7.875 ( -3.227 -0.216 -2.974) 4.394 7.875 ( 3.227 -0.216 -2.974) 4.394 7.887 ( -2.586 -1.016 1.647) 3.230 7.887 ( 2.586 -1.016 1.647) 3.230 7.988 ( -0.918 -2.309 3.563) 4.344 7.988 ( 0.918 -2.309 3.563) 4.344 8.068 ( -2.428 -1.384 -1.767) 3.307 8.068 ( 2.428 -1.384 -1.767) 3.307 8.157 ( -1.310 0.114 -2.707) 3.009 8.157 ( 1.310 0.114 -2.707) 3.009 8.329 ( -2.739 -0.755 -0.473) 2.880 8.329 ( 2.739 -0.755 -0.473) 2.880 8.407 ( -7.698 -0.689 -1.454) 7.865 8.407 ( 7.698 -0.689 -1.454) 7.865 8.702 ( -2.141 -0.179 1.083) 2.406 8.702 ( 2.141 -0.179 1.083) 2.406 8.724 ( -3.360 1.201 2.026) 4.104 8.724 ( 3.360 1.201 2.026) 4.104 8.870 ( -2.039 3.470 -0.934) 4.132 8.870 ( 2.039 3.470 -0.934) 4.132 9.025 ( -4.242 2.639 -5.247) 7.245 9.025 ( 4.242 2.639 -5.247) 7.245 9.163 ( -2.928 2.576 0.575) 3.942 9.163 ( 2.928 2.576 0.575) 3.942 9.218 ( -1.163 6.871 -1.585) 7.146 9.218 ( 1.163 6.871 -1.585) 7.146 9.375 ( -0.904 -1.630 1.343) 2.297 9.375 ( 0.904 -1.630 1.343) 2.297 9.470 ( -4.916 -5.081 -1.875) 7.314 9.470 ( 4.916 -5.081 -1.875) 7.314 9.617 ( -6.790 -1.256 1.699) 7.111 9.617 ( 6.790 -1.256 1.699) 7.111 9.795 ( -1.008 0.472 -1.181) 1.622 9.795 ( 1.008 0.472 -1.181) 1.622 10.027 ( -2.147 -3.011 1.050) 3.844 10.027 ( 2.147 -3.011 1.050) 3.844 10.261 ( -2.053 0.268 -4.035) 4.535 10.261 ( 2.053 0.268 -4.035) 4.535 10.550 ( -2.083 -0.396 5.007) 5.438 10.550 ( 2.083 -0.396 5.007) 5.438 10.727 ( -6.653 -2.143 -0.908) 7.048 10.727 ( 6.653 -2.143 -0.908) 7.048 10.796 ( -4.586 0.009 1.463) 4.813 10.796 ( 4.586 0.009 1.463) 4.813 10.878 ( -5.120 1.385 -0.079) 5.304 10.878 ( 5.120 1.385 -0.079) 5.304 11.110 ( -2.970 0.181 5.467) 6.225 11.110 ( 2.970 0.181 5.467) 6.225 11.222 ( -1.261 -1.039 1.818) 2.444 11.222 ( 1.261 -1.039 1.818) 2.444 12.040 ( -13.999 3.682 6.441) 15.844 12.040 ( 13.999 3.682 6.441) 15.844 12.296 ( -7.268 3.191 -4.042) 8.907 12.296 ( 7.268 3.191 -4.042) 8.907 12.709 ( -13.496 -1.279 1.739) 13.668 12.709 ( 13.496 -1.279 1.739) 13.668 12.967 ( -6.418 -0.067 -10.789) 12.554 12.967 ( 6.418 -0.067 -10.789) 12.554 13.308 ( -4.297 -1.246 5.964) 7.455 13.308 ( 4.297 -1.246 5.964) 7.455 13.692 ( -3.628 -2.041 3.004) 5.134 13.692 ( 3.628 -2.041 3.004) 5.134 13.892 ( -2.516 -2.181 -9.662) 10.219 13.892 ( 2.516 -2.181 -9.662) 10.219 14.001 ( -3.221 0.599 -2.501) 4.121 14.001 ( 3.221 0.599 -2.501) 4.121 15.128 ( -0.611 0.682 1.588) 1.833 15.128 ( 0.611 0.682 1.588) 1.833 15.204 ( -1.422 3.356 -1.365) 3.892 15.204 ( 1.422 3.356 -1.365) 3.892 15.387 ( -4.019 2.408 2.745) 5.430 15.387 ( 4.019 2.408 2.745) 5.430 15.588 ( -2.489 2.404 -6.420) 7.294 15.588 ( 2.489 2.404 -6.420) 7.294 15.828 ( -1.873 1.536 2.904) 3.782 15.828 ( 1.873 1.536 2.904) 3.782 15.873 ( -1.714 1.145 0.979) 2.282 15.873 ( 1.714 1.145 0.979) 2.282 16.163 ( -5.310 -2.207 4.109) 7.067 16.163 ( 5.310 -2.207 4.109) 7.067 16.397 ( -1.386 -3.102 -4.771) 5.857 16.397 ( 1.386 -3.102 -4.771) 5.857 17.341 ( -3.049 -1.307 6.964) 7.713 17.341 ( 3.049 -1.307 6.964) 7.713 17.468 ( -9.100 -2.036 0.568) 9.342 17.468 ( 9.100 -2.036 0.568) 9.342 17.534 ( -3.596 -5.712 0.763) 6.793 17.534 ( 3.596 -5.712 0.763) 6.793 17.653 ( -3.569 -1.053 -3.564) 5.152 17.653 ( 3.569 -1.053 -3.564) 5.152 18.064 ( -8.072 -0.871 3.866) 8.993 18.064 ( 8.072 -0.871 3.866) 8.993 18.227 ( -3.904 -2.123 0.126) 4.446 18.227 ( 3.904 -2.123 0.126) 4.446 18.491 ( -2.868 -10.294 4.245) 11.499 18.491 ( 2.868 -10.294 4.245) 11.499 18.804 ( -4.722 -6.455 -5.532) 9.725 18.804 ( 4.722 -6.455 -5.532) 9.725 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 18.353 8.782) 20.346 1.081 ( 0.000 17.227 13.844) 22.100 1.519 ( 0.000 8.130 -11.526) 14.105 1.682 ( 0.000 9.980 -14.316) 17.451 1.814 ( 0.000 19.393 11.869) 22.737 1.889 ( 0.000 8.907 11.254) 14.352 1.960 ( 0.000 -0.786 5.450) 5.506 2.021 ( 0.000 3.829 2.597) 4.626 2.111 ( 0.000 2.567 0.979) 2.747 2.152 ( 0.000 -5.532 -0.900) 5.604 2.164 ( 0.000 2.017 4.576) 5.001 2.213 ( 0.000 -1.426 -0.421) 1.487 2.266 ( 0.000 -2.502 5.421) 5.971 2.304 ( 0.000 -4.652 0.690) 4.702 2.454 ( 0.000 5.240 -9.160) 10.553 2.470 ( 0.000 -2.914 6.957) 7.543 2.490 ( 0.000 -0.809 4.043) 4.123 2.572 ( 0.000 0.972 0.538) 1.111 2.587 ( 0.000 -0.843 -7.472) 7.520 2.650 ( 0.000 -1.400 -3.082) 3.385 2.778 ( 0.000 -2.291 0.032) 2.291 2.832 ( 0.000 -4.219 -0.292) 4.229 2.843 ( 0.000 0.834 -7.655) 7.701 2.845 ( 0.000 -5.363 0.624) 5.399 2.889 ( 0.000 -2.920 -0.441) 2.953 2.942 ( 0.000 -0.093 -4.392) 4.393 2.958 ( 0.000 -5.602 1.219) 5.733 2.990 ( 0.000 -6.956 -6.428) 9.471 3.034 ( 0.000 -4.283 -2.831) 5.134 3.047 ( 0.000 0.538 6.639) 6.660 3.131 ( 0.000 -0.721 -4.696) 4.751 3.133 ( 0.000 -3.699 4.602) 5.904 3.187 ( 0.000 -0.356 3.189) 3.209 3.287 ( 0.000 -9.953 2.203) 10.194 3.301 ( 0.000 -0.600 2.905) 2.966 3.321 ( 0.000 -3.670 0.519) 3.706 3.436 ( 0.000 -6.263 -7.198) 9.541 3.452 ( 0.000 -6.483 0.139) 6.484 3.558 ( 0.000 -3.929 -1.291) 4.136 3.581 ( 0.000 -3.348 -4.434) 5.556 3.601 ( 0.000 3.998 3.939) 5.613 3.601 ( 0.000 2.670 0.097) 2.672 3.706 ( 0.000 2.711 -1.389) 3.046 3.711 ( 0.000 -5.204 -0.840) 5.271 3.750 ( 0.000 3.584 2.252) 4.233 3.793 ( 0.000 1.409 3.705) 3.963 3.843 ( 0.000 2.190 1.373) 2.585 3.869 ( 0.000 2.017 -0.409) 2.059 3.917 ( 0.000 6.339 1.433) 6.499 4.045 ( 0.000 -2.765 -1.898) 3.354 4.099 ( 0.000 -0.894 -2.105) 2.286 4.172 ( 0.000 1.714 -5.844) 6.090 4.264 ( 0.000 2.738 2.506) 3.712 4.332 ( 0.000 -4.955 6.476) 8.155 4.372 ( 0.000 7.924 -3.507) 8.665 4.432 ( 0.000 0.057 0.419) 0.422 4.531 ( 0.000 0.351 0.773) 0.849 4.588 ( 0.000 0.556 0.176) 0.583 4.682 ( 0.000 -5.426 -4.742) 7.206 4.791 ( 0.000 -1.433 -6.942) 7.088 4.906 ( 0.000 0.148 5.692) 5.694 4.986 ( 0.000 -0.952 4.477) 4.577 5.030 ( 0.000 -1.247 3.166) 3.402 5.118 ( 0.000 -1.488 1.425) 2.060 5.129 ( 0.000 0.642 5.721) 5.757 5.187 ( 0.000 1.244 -4.026) 4.214 5.227 ( 0.000 -8.395 -1.564) 8.539 5.244 ( 0.000 1.208 -0.429) 1.282 5.515 ( 0.000 -1.640 3.761) 4.103 5.737 ( 0.000 5.067 -4.001) 6.456 5.868 ( 0.000 0.349 1.267) 1.314 5.938 ( 0.000 -12.098 -1.603) 12.204 7.040 ( 0.000 9.153 3.981) 9.982 7.093 ( 0.000 12.850 3.121) 13.223 7.132 ( 0.000 14.347 1.588) 14.434 7.143 ( 0.000 10.668 3.225) 11.145 7.205 ( 0.000 12.624 -0.505) 12.634 7.257 ( 0.000 5.718 -2.638) 6.298 7.272 ( 0.000 6.405 -3.375) 7.240 7.359 ( 0.000 6.072 -2.636) 6.620 7.626 ( 0.000 1.071 3.788) 3.937 7.702 ( 0.000 -1.366 3.615) 3.864 7.808 ( 0.000 -2.286 2.451) 3.351 7.831 ( 0.000 -4.689 2.211) 5.184 7.849 ( 0.000 -2.620 -0.072) 2.621 7.861 ( 0.000 0.633 0.327) 0.712 7.889 ( 0.000 -4.059 0.967) 4.172 7.915 ( 0.000 -1.888 1.072) 2.171 7.978 ( 0.000 -2.127 1.299) 2.493 8.061 ( 0.000 -5.177 -0.771) 5.234 8.081 ( 0.000 -2.291 -2.397) 3.315 8.105 ( 0.000 -1.970 -1.172) 2.293 8.223 ( 0.000 0.548 -5.284) 5.312 8.356 ( 0.000 -6.528 -12.077) 13.729 8.363 ( 0.000 1.370 -0.349) 1.413 8.486 ( 0.000 -0.462 -5.096) 5.117 8.703 ( 0.000 2.191 -1.384) 2.592 8.713 ( 0.000 -2.803 5.023) 5.752 8.727 ( 0.000 1.080 -3.201) 3.378 8.809 ( 0.000 4.121 1.067) 4.256 8.816 ( 0.000 2.013 -1.519) 2.522 8.977 ( 0.000 -0.639 -3.024) 3.091 9.064 ( 0.000 5.174 3.816) 6.429 9.132 ( 0.000 -4.982 6.328) 8.054 9.168 ( 0.000 -2.365 1.672) 2.896 9.222 ( 0.000 4.455 -2.800) 5.261 9.302 ( 0.000 -4.130 -3.608) 5.484 9.326 ( 0.000 7.058 7.482) 10.286 9.359 ( 0.000 -4.087 -3.477) 5.365 9.422 ( 0.000 -2.655 1.657) 3.129 9.450 ( 0.000 3.970 1.746) 4.337 9.561 ( 0.000 -3.415 0.710) 3.488 9.626 ( 0.000 -3.112 -0.456) 3.145 9.740 ( 0.000 -2.407 -1.103) 2.648 9.747 ( 0.000 -3.058 12.848) 13.207 9.952 ( 0.000 -6.409 0.132) 6.410 10.028 ( 0.000 1.764 -7.152) 7.366 10.177 ( 0.000 8.116 -17.769) 19.535 10.180 ( 0.000 2.115 -6.224) 6.573 10.225 ( 0.000 -3.936 -2.294) 4.556 10.516 ( 0.000 -5.082 3.269) 6.043 10.520 ( 0.000 -0.267 3.711) 3.721 10.561 ( 0.000 -3.152 7.266) 7.921 10.641 ( 0.000 -2.263 -0.216) 2.273 10.649 ( 0.000 1.703 0.921) 1.937 10.754 ( 0.000 -2.926 2.225) 3.676 10.840 ( 0.000 -2.428 -3.699) 4.425 10.928 ( 0.000 -0.350 1.026) 1.084 11.056 ( 0.000 -0.887 -0.139) 0.898 11.113 ( 0.000 -0.687 5.454) 5.497 11.216 ( 0.000 1.871 -2.567) 3.177 11.360 ( 0.000 3.695 -2.671) 4.559 12.070 ( 0.000 9.131 -8.603) 12.545 12.082 ( 0.000 5.825 1.657) 6.056 12.265 ( 0.000 15.669 -23.521) 28.262 12.295 ( 0.000 7.321 -4.829) 8.770 12.608 ( 0.000 -3.584 11.989) 12.513 12.850 ( 0.000 -1.580 -1.605) 2.252 12.997 ( 0.000 -1.765 -10.237) 10.388 13.175 ( 0.000 -8.797 4.414) 9.842 13.252 ( 0.000 0.247 8.475) 8.479 13.481 ( 0.000 -4.213 -8.142) 9.168 13.585 ( 0.000 1.655 -4.228) 4.541 13.691 ( 0.000 -0.747 12.298) 12.320 13.759 ( 0.000 -3.292 -7.389) 8.089 13.970 ( 0.000 -4.979 10.016) 11.185 14.110 ( 0.000 0.999 -6.028) 6.110 14.224 ( 0.000 0.044 -4.233) 4.233 15.167 ( 0.000 1.278 1.844) 2.243 15.176 ( 0.000 0.888 5.028) 5.106 15.248 ( 0.000 4.310 -0.320) 4.322 15.302 ( 0.000 3.638 1.879) 4.094 15.398 ( 0.000 2.702 -3.955) 4.789 15.402 ( 0.000 3.107 2.273) 3.850 15.658 ( 0.000 -0.637 -2.875) 2.944 15.676 ( 0.000 -5.424 10.416) 11.743 15.703 ( 0.000 -5.992 8.971) 10.788 15.748 ( 0.000 6.134 -6.648) 9.045 15.836 ( 0.000 -7.472 1.806) 7.687 15.934 ( 0.000 0.706 1.671) 1.814 15.966 ( 0.000 8.904 -0.294) 8.909 16.161 ( 0.000 3.195 6.509) 7.250 16.251 ( 0.000 -7.648 -3.968) 8.616 16.368 ( 0.000 0.922 -2.583) 2.743 17.091 ( 0.000 2.413 1.247) 2.716 17.149 ( 0.000 1.375 -0.813) 1.598 17.214 ( 0.000 -0.359 7.245) 7.254 17.436 ( 0.000 -5.797 7.174) 9.223 17.470 ( 0.000 -1.366 2.188) 2.580 17.514 ( 0.000 -2.175 -3.729) 4.317 17.634 ( 0.000 -0.050 -4.588) 4.588 17.657 ( 0.000 -6.050 -1.787) 6.308 17.930 ( 0.000 2.382 4.092) 4.734 18.031 ( 0.000 1.162 -0.602) 1.308 18.175 ( 0.000 -2.931 6.283) 6.933 18.229 ( 0.000 -2.898 1.843) 3.434 18.355 ( 0.000 -8.701 10.977) 14.007 18.360 ( 0.000 -8.636 -2.842) 9.091 18.568 ( 0.000 -8.834 -7.229) 11.415 18.722 ( 0.000 -13.039 -1.719) 13.152 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 8.301 15.417 13.640) 22.195 1.202 ( 13.966 16.357 8.124) 22.991 1.644 ( -7.958 6.125 5.764) 11.579 1.683 ( 9.267 7.822 -6.783) 13.895 1.724 ( -3.575 9.533 -4.981) 11.335 1.763 ( -6.537 9.106 -1.722) 11.341 1.942 ( 2.603 11.982 1.229) 12.323 2.052 ( 5.961 7.110 7.648) 12.024 2.105 ( -0.661 3.749 -2.576) 4.597 2.201 ( 2.854 -2.094 -0.708) 3.610 2.216 ( -0.807 -3.352 3.000) 4.571 2.241 ( 3.237 -3.144 4.241) 6.192 2.311 ( 7.482 -1.963 4.326) 8.862 2.391 ( 1.629 0.929 1.491) 2.396 2.442 ( -1.936 2.097 -0.241) 2.864 2.461 ( -1.521 -1.628 4.290) 4.835 2.522 ( 2.894 -2.505 0.616) 3.877 2.569 ( 1.230 -0.940 2.822) 3.218 2.586 ( -2.638 -0.728 -3.210) 4.218 2.665 ( 1.681 -2.635 -3.240) 4.502 2.718 ( -0.465 -3.477 -0.619) 3.562 2.808 ( -5.310 -1.088 -1.740) 5.693 2.817 ( -0.855 -7.396 -2.403) 7.823 2.838 ( 1.689 -2.603 0.217) 3.111 2.919 ( -1.338 -6.424 -2.700) 7.096 2.931 ( -2.243 -3.656 -1.786) 4.646 2.992 ( -1.353 -3.001 0.165) 3.296 3.012 ( 5.337 -4.257 -4.330) 8.084 3.026 ( 2.091 -4.478 -3.133) 5.851 3.054 ( 1.100 -0.839 -0.528) 1.481 3.122 ( 0.266 0.700 0.262) 0.793 3.154 ( -0.971 -4.459 3.849) 5.970 3.231 ( -4.117 0.981 1.850) 4.619 3.242 ( 3.425 -1.047 -0.496) 3.616 3.304 ( 0.264 -0.048 1.455) 1.479 3.365 ( -0.026 -6.948 2.024) 7.237 3.405 ( -2.645 -5.571 -1.823) 6.431 3.433 ( -0.102 -5.178 1.733) 5.461 3.499 ( -3.335 -2.974 0.262) 4.476 3.560 ( 0.843 3.035 1.709) 3.584 3.579 ( 0.560 -2.848 -3.552) 4.587 3.607 ( 0.527 3.236 -0.333) 3.295 3.663 ( -1.585 -2.645 0.127) 3.086 3.736 ( -1.877 3.012 3.326) 4.864 3.765 ( 2.670 0.016 0.148) 2.675 3.836 ( 1.196 4.080 3.584) 5.560 3.844 ( 0.331 2.245 2.615) 3.462 3.890 ( -0.385 2.993 1.257) 3.269 3.933 ( -0.061 3.971 -1.633) 4.294 3.981 ( -4.078 4.594 -6.513) 8.953 4.014 ( -4.265 -2.184 -3.472) 5.917 4.109 ( -1.334 -0.915 -5.074) 5.325 4.203 ( -7.454 6.371 -4.746) 10.894 4.258 ( -3.472 3.051 -6.260) 7.782 4.299 ( -2.886 -6.573 -1.346) 7.303 4.391 ( -5.793 -3.160 -5.408) 8.532 4.616 ( 4.908 4.230 3.794) 7.508 4.644 ( 7.564 0.350 3.291) 8.257 4.720 ( 2.940 -3.287 5.982) 7.431 4.912 ( 3.916 -0.462 1.119) 4.099 4.977 ( -0.565 -4.873 3.592) 6.080 4.985 ( 4.510 -0.167 1.472) 4.747 5.052 ( -2.100 2.358 2.718) 4.166 5.081 ( 2.173 -4.663 2.396) 5.676 5.110 ( 0.327 -0.820 -1.662) 1.882 5.172 ( -1.580 -3.863 0.882) 4.266 5.230 ( -0.291 -1.454 -0.249) 1.503 5.231 ( -1.250 -0.565 -1.354) 1.927 5.606 ( 7.372 -4.859 1.903) 9.032 5.762 ( 2.284 4.000 -3.493) 5.780 5.858 ( -1.145 1.285 0.276) 1.743 5.891 ( -4.310 -11.624 -1.205) 12.456 7.018 ( -1.239 9.068 3.119) 9.669 7.053 ( -3.062 12.264 3.314) 13.068 7.122 ( 0.815 11.749 -0.187) 11.779 7.165 ( 0.006 11.462 1.337) 11.540 7.240 ( 2.539 10.293 -2.164) 10.820 7.276 ( 1.626 7.948 -0.444) 8.125 7.286 ( 0.992 8.200 -2.092) 8.521 7.345 ( -1.333 5.823 -1.637) 6.194 7.624 ( -0.161 1.228 3.735) 3.935 7.676 ( -2.428 -0.242 3.838) 4.548 7.794 ( 0.627 -2.268 2.515) 3.444 7.832 ( 1.811 -0.494 -0.051) 1.878 7.882 ( 1.222 -3.086 1.578) 3.675 7.902 ( 0.816 -3.694 0.210) 3.789 7.914 ( 1.491 -1.355 -0.915) 2.212 7.929 ( 0.929 -4.354 2.285) 5.004 7.961 ( 0.476 -0.592 2.064) 2.199 8.091 ( -0.468 -1.850 -4.669) 5.043 8.108 ( 1.027 -4.517 0.157) 4.635 8.132 ( 3.537 -0.449 -0.543) 3.606 8.222 ( 3.287 -1.825 -3.733) 5.298 8.278 ( -4.020 -4.197 -7.835) 9.755 8.376 ( -1.392 0.815 -2.151) 2.689 8.478 ( -2.256 -4.256 -4.026) 6.278 8.671 ( -1.308 1.784 1.347) 2.590 8.697 ( -0.810 -2.228 2.432) 3.396 8.724 ( -0.294 0.976 -0.844) 1.324 8.788 ( -2.595 -0.719 0.010) 2.693 8.898 ( 6.228 5.663 -2.501) 8.781 8.950 ( -1.536 -0.658 -2.599) 3.090 9.038 ( -2.895 3.231 2.822) 5.176 9.148 ( -2.704 2.364 -0.101) 3.593 9.184 ( 3.170 -2.931 3.134) 5.335 9.212 ( 1.899 -2.109 0.693) 2.921 9.270 ( -2.401 4.780 3.505) 6.395 9.320 ( -2.482 -6.604 -2.953) 7.648 9.336 ( -1.837 3.874 -1.098) 4.425 9.360 ( 0.267 -2.013 -1.348) 2.437 9.421 ( -2.524 0.232 -1.002) 2.726 9.546 ( -0.746 0.935 4.867) 5.012 9.629 ( -4.561 0.446 2.484) 5.213 9.706 ( 2.885 -4.173 -0.186) 5.076 9.809 ( -4.074 -1.252 5.284) 6.789 9.863 ( -6.713 3.374 -6.861) 10.175 9.960 ( 0.057 -5.227 -1.182) 5.359 10.009 ( -5.450 2.929 -4.679) 7.758 10.225 ( 2.788 1.635 -5.767) 6.611 10.321 ( -1.261 2.377 -8.588) 9.000 10.476 ( 4.287 -2.905 2.762) 5.869 10.538 ( 1.363 -1.221 8.190) 8.392 10.624 ( 0.460 0.341 -3.462) 3.509 10.694 ( 6.460 -2.448 1.309) 7.031 10.727 ( 4.043 -0.549 1.078) 4.220 10.794 ( -2.056 -3.214 -2.995) 4.850 10.848 ( 1.450 -1.183 3.380) 3.864 10.964 ( 3.505 0.889 2.275) 4.272 11.042 ( 0.379 -0.238 1.285) 1.361 11.093 ( -1.116 -1.847 5.710) 6.105 11.194 ( -1.993 0.208 -0.750) 2.139 11.308 ( -4.429 2.402 -1.158) 5.170 12.035 ( 0.012 11.014 -4.841) 12.031 12.223 ( 12.207 3.517 -0.591) 12.717 12.223 ( 3.647 7.931 -7.443) 11.471 12.387 ( -5.522 7.392 1.996) 9.441 12.599 ( 3.593 -0.285 4.688) 5.914 12.843 ( -3.181 -1.284 -1.003) 3.573 12.938 ( -9.739 -2.839 -2.091) 10.358 13.011 ( -1.047 -2.641 -10.545) 10.921 13.228 ( 0.448 -3.382 9.776) 10.354 13.452 ( -7.683 -2.149 -0.884) 8.027 13.655 ( -1.989 -0.765 12.760) 12.937 13.730 ( 8.397 -1.311 -11.819) 14.557 13.736 ( -4.959 -3.412 3.458) 6.942 13.825 ( -2.101 -3.570 -3.790) 5.615 14.093 ( -6.820 1.325 -5.432) 8.819 14.108 ( -5.270 -0.450 -4.905) 7.213 15.153 ( -0.705 1.362 2.579) 3.000 15.165 ( -0.970 1.003 3.666) 3.923 15.264 ( 0.990 4.494 -2.298) 5.143 15.317 ( -1.112 3.901 -0.503) 4.087 15.373 ( 2.830 3.927 2.144) 5.294 15.491 ( -0.632 0.794 1.096) 1.494 15.546 ( 2.961 1.249 1.305) 3.468 15.692 ( -0.753 2.954 -5.654) 6.424 15.767 ( 2.345 -2.861 0.030) 3.699 15.801 ( 4.593 0.160 0.802) 4.666 15.896 ( -1.689 -1.897 4.429) 5.106 15.948 ( 0.883 5.014 2.086) 5.502 16.121 ( 3.414 -0.139 4.330) 5.516 16.162 ( 6.258 -4.507 -1.202) 7.805 16.203 ( -1.506 -3.550 -0.173) 3.860 16.369 ( -0.235 0.132 -2.957) 2.970 17.198 ( 8.327 -0.621 1.563) 8.495 17.242 ( 4.876 -1.863 4.087) 6.630 17.256 ( 6.519 -1.313 2.207) 7.007 17.391 ( -2.957 -4.777 6.730) 8.767 17.469 ( -1.194 -3.936 2.219) 4.674 17.542 ( 0.046 -2.926 -3.417) 4.498 17.584 ( -2.245 -1.993 -2.495) 3.903 17.657 ( -0.688 -2.806 -4.499) 5.346 17.959 ( 2.946 2.037 3.515) 5.019 18.066 ( 3.620 -0.788 -1.473) 3.987 18.170 ( -4.220 -2.155 2.384) 5.304 18.200 ( 0.954 -2.793 5.802) 6.510 18.310 ( -3.083 -8.570 0.901) 9.152 18.351 ( -1.734 -8.474 7.208) 11.259 18.584 ( 1.630 -8.925 -7.230) 11.601 18.695 ( -2.400 -11.922 -2.862) 12.493 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -11.766 10.641 13.663) 20.936 1.389 ( 11.766 10.641 13.663) 20.936 1.470 ( -10.812 15.182 6.978) 19.902 1.470 ( 10.812 15.182 6.978) 19.902 1.831 ( -6.506 6.859 -10.416) 14.067 1.831 ( 6.506 6.859 -10.416) 14.067 2.012 ( -12.073 5.329 -11.214) 17.318 2.012 ( 12.073 5.329 -11.214) 17.318 2.180 ( -2.100 -1.605 5.179) 5.814 2.180 ( 2.100 -1.605 5.179) 5.814 2.332 ( -0.676 -0.170 7.061) 7.095 2.332 ( 0.676 -0.170 7.061) 7.095 2.376 ( -2.825 -0.122 1.604) 3.251 2.376 ( 2.825 -0.122 1.604) 3.251 2.440 ( -11.566 4.149 8.215) 14.781 2.440 ( 11.566 4.149 8.215) 14.781 2.530 ( -6.797 -3.102 0.772) 7.511 2.530 ( 6.797 -3.102 0.772) 7.511 2.606 ( -4.779 -2.107 -1.488) 5.430 2.606 ( 4.779 -2.107 -1.488) 5.430 2.713 ( -3.377 -5.785 -3.111) 7.386 2.713 ( 3.377 -5.785 -3.111) 7.386 2.839 ( -3.032 -2.507 -4.648) 6.089 2.839 ( 3.032 -2.507 -4.648) 6.089 2.932 ( -3.735 -6.141 0.386) 7.198 2.932 ( 3.735 -6.141 0.386) 7.198 2.991 ( -5.091 -3.236 1.639) 6.251 2.991 ( 5.091 -3.236 1.639) 6.251 3.065 ( -0.781 -3.506 -1.394) 3.853 3.065 ( 0.781 -3.506 -1.394) 3.853 3.167 ( -1.844 0.143 2.461) 3.079 3.167 ( 1.844 0.143 2.461) 3.079 3.188 ( -7.209 -1.228 -2.775) 7.821 3.188 ( 7.209 -1.228 -2.775) 7.821 3.319 ( -1.995 -2.059 0.650) 2.940 3.319 ( 1.995 -2.059 0.650) 2.940 3.447 ( -2.468 -3.967 2.985) 5.544 3.447 ( 2.468 -3.967 2.985) 5.544 3.486 ( -4.502 -2.566 -0.012) 5.182 3.486 ( 4.502 -2.566 -0.012) 5.182 3.626 ( -0.579 3.592 2.807) 4.596 3.626 ( 0.579 3.592 2.807) 4.596 3.691 ( -2.120 -1.031 -0.870) 2.513 3.691 ( 2.120 -1.031 -0.870) 2.513 3.798 ( -1.248 3.531 1.263) 3.952 3.798 ( 1.248 3.531 1.263) 3.952 3.878 ( -1.208 5.605 -0.521) 5.758 3.878 ( 1.208 5.605 -0.521) 5.758 3.919 ( -3.915 -2.680 -2.898) 5.559 3.919 ( 3.915 -2.680 -2.898) 5.559 4.014 ( -4.765 6.145 -6.597) 10.197 4.014 ( 4.765 6.145 -6.597) 10.197 4.202 ( -4.647 -4.081 -4.741) 7.793 4.202 ( 4.647 -4.081 -4.741) 7.793 4.279 ( -4.175 -0.405 -9.329) 10.229 4.279 ( 4.175 -0.405 -9.329) 10.229 4.704 ( -2.436 2.381 8.797) 9.434 4.704 ( 2.436 2.381 8.797) 9.434 4.852 ( -8.785 -1.470 3.920) 9.732 4.852 ( 8.785 -1.470 3.920) 9.732 4.980 ( -3.214 -0.578 3.604) 4.864 4.980 ( 3.214 -0.578 3.604) 4.864 5.068 ( -3.121 -1.662 1.187) 3.730 5.068 ( 3.121 -1.662 1.187) 3.730 5.161 ( -4.329 -5.990 0.525) 7.409 5.161 ( 4.329 -5.990 0.525) 7.409 5.221 ( -2.356 -0.168 -2.492) 3.434 5.221 ( 2.356 -0.168 -2.492) 3.434 5.763 ( -6.809 -8.224 -0.072) 10.677 5.763 ( 6.809 -8.224 -0.072) 10.677 5.821 ( -2.295 1.690 -1.677) 3.307 5.821 ( 2.295 1.690 -1.677) 3.307 7.011 ( -0.760 10.003 2.779) 10.410 7.011 ( 0.760 10.003 2.779) 10.410 7.146 ( -1.344 11.404 -1.193) 11.545 7.146 ( 1.344 11.404 -1.193) 11.545 7.296 ( -1.030 10.261 -0.717) 10.337 7.296 ( 1.030 10.261 -0.717) 10.337 7.303 ( -1.988 6.222 -0.964) 6.602 7.303 ( 1.988 6.222 -0.964) 6.602 7.632 ( -1.237 1.020 3.482) 3.834 7.632 ( 1.237 1.020 3.482) 3.834 7.841 ( -3.188 -2.250 3.894) 5.513 7.841 ( 3.188 -2.250 3.894) 5.513 7.889 ( -2.530 0.181 -3.143) 4.039 7.889 ( 2.530 0.181 -3.143) 4.039 7.934 ( -0.910 -2.588 2.697) 3.848 7.934 ( 0.910 -2.588 2.697) 3.848 8.021 ( -3.785 -3.326 -0.869) 5.113 8.021 ( 3.785 -3.326 -0.869) 5.113 8.153 ( -2.646 -0.876 -3.766) 4.685 8.153 ( 2.646 -0.876 -3.766) 4.685 8.286 ( -4.342 -3.873 -1.348) 5.972 8.286 ( 4.342 -3.873 -1.348) 5.972 8.372 ( -6.302 -3.216 -2.463) 7.491 8.372 ( 6.302 -3.216 -2.463) 7.491 8.679 ( -1.519 -1.016 1.092) 2.129 8.679 ( 1.519 -1.016 1.092) 2.129 8.728 ( -1.585 0.516 0.550) 1.755 8.728 ( 1.585 0.516 0.550) 1.755 8.950 ( -2.205 1.742 0.036) 2.810 8.950 ( 2.205 1.742 0.036) 2.810 9.058 ( -5.923 2.084 -3.431) 7.155 9.058 ( 5.923 2.084 -3.431) 7.155 9.222 ( -1.335 2.981 2.180) 3.927 9.222 ( 1.335 2.981 2.180) 3.927 9.282 ( -3.674 -5.674 1.536) 6.932 9.282 ( 3.674 -5.674 1.536) 6.932 9.335 ( -1.278 -1.071 0.018) 1.668 9.335 ( 1.278 -1.071 0.018) 1.668 9.472 ( -8.950 6.912 -6.133) 12.865 9.472 ( 8.950 6.912 -6.133) 12.865 9.602 ( -5.704 0.208 2.707) 6.317 9.602 ( 5.704 0.208 2.707) 6.317 9.805 ( -3.982 0.011 0.162) 3.986 9.805 ( 3.982 0.011 0.162) 3.986 9.961 ( -1.006 -2.767 0.214) 2.952 9.961 ( 1.006 -2.767 0.214) 2.952 10.280 ( -2.447 1.986 -6.127) 6.890 10.280 ( 2.447 1.986 -6.127) 6.890 10.553 ( -2.573 0.690 3.691) 4.552 10.553 ( 2.573 0.690 3.691) 4.552 10.677 ( -5.298 -2.637 -1.732) 6.167 10.677 ( 5.298 -2.637 -1.732) 6.167 10.786 ( -2.780 -1.178 1.192) 3.246 10.786 ( 2.780 -1.178 1.192) 3.246 10.904 ( -6.249 1.145 1.581) 6.547 10.904 ( 6.249 1.145 1.581) 6.547 11.108 ( -1.180 -0.631 3.530) 3.775 11.108 ( 1.180 -0.631 3.530) 3.775 11.197 ( -5.345 -1.134 1.807) 5.755 11.197 ( 5.345 -1.134 1.807) 5.755 12.147 ( -9.575 6.825 5.543) 13.000 12.147 ( 9.575 6.825 5.543) 13.000 12.383 ( -4.443 5.247 -3.761) 7.837 12.383 ( 4.443 5.247 -3.761) 7.837 12.672 ( -10.392 -2.432 2.352) 10.929 12.672 ( 10.392 -2.432 2.352) 10.929 12.957 ( -5.924 -1.121 -12.193) 13.602 12.957 ( 5.924 -1.121 -12.193) 13.602 13.274 ( -5.645 -1.987 6.906) 9.139 13.274 ( 5.645 -1.987 6.906) 9.139 13.639 ( -1.918 -2.970 8.845) 9.525 13.639 ( 1.918 -2.970 8.845) 9.525 13.848 ( -1.459 -1.988 -12.401) 12.644 13.848 ( 1.459 -1.988 -12.401) 12.644 14.011 ( -2.562 0.306 -3.979) 4.743 14.011 ( 2.562 0.306 -3.979) 4.743 15.148 ( -0.358 1.209 2.797) 3.068 15.148 ( 0.358 1.209 2.797) 3.068 15.286 ( -1.299 4.543 -2.508) 5.349 15.286 ( 1.299 4.543 -2.508) 5.349 15.441 ( -2.868 2.647 3.606) 5.314 15.441 ( 2.868 2.647 3.606) 5.314 15.644 ( -3.836 2.882 -6.064) 7.733 15.644 ( 3.836 2.882 -6.064) 7.733 15.828 ( -3.208 -1.350 3.050) 4.628 15.828 ( 3.208 -1.350 3.050) 4.628 15.914 ( -4.479 1.756 1.093) 4.933 15.914 ( 4.479 1.756 1.093) 4.933 16.128 ( -2.075 -0.404 4.121) 4.631 16.128 ( 2.075 -0.404 4.121) 4.631 16.335 ( -3.833 -2.381 -3.509) 5.716 16.335 ( 3.833 -2.381 -3.509) 5.716 17.304 ( -3.438 -2.295 6.846) 7.996 17.304 ( 3.438 -2.295 6.846) 7.996 17.410 ( -3.477 -5.450 1.142) 6.565 17.410 ( 3.477 -5.450 1.142) 6.565 17.412 ( -1.857 -3.790 0.306) 4.231 17.412 ( 1.857 -3.790 0.306) 4.231 17.624 ( -2.426 -1.638 -5.220) 5.985 17.624 ( 2.426 -1.638 -5.220) 5.985 18.054 ( -5.791 0.141 2.498) 6.309 18.054 ( 5.791 0.141 2.498) 6.309 18.168 ( -4.983 -3.480 -1.257) 6.206 18.168 ( 4.983 -3.480 -1.257) 6.206 18.298 ( -2.514 -7.842 6.844) 10.708 18.298 ( 2.514 -7.842 6.844) 10.708 18.635 ( -2.992 -9.950 -5.401) 11.710 18.635 ( 2.992 -9.950 -5.401) 11.710 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 16.872 4.337) 17.420 1.405 ( 0.000 15.089 11.042) 18.698 1.690 ( 0.000 8.708 -7.757) 11.662 1.835 ( 0.000 -4.387 0.594) 4.427 1.877 ( 0.000 -7.735 8.856) 11.758 1.904 ( 0.000 10.239 -7.969) 12.975 2.017 ( 0.000 -4.722 -5.825) 7.498 2.104 ( 0.000 3.161 5.725) 6.540 2.167 ( 0.000 2.789 4.624) 5.400 2.171 ( 0.000 1.671 2.333) 2.869 2.204 ( 0.000 0.995 3.897) 4.022 2.267 ( 0.000 4.355 -0.269) 4.364 2.310 ( 0.000 7.786 1.879) 8.010 2.372 ( 0.000 13.699 3.910) 14.246 2.446 ( 0.000 -4.049 -1.350) 4.268 2.456 ( 0.000 4.474 7.620) 8.836 2.488 ( 0.000 -3.931 -2.263) 4.535 2.554 ( 0.000 -4.979 -2.275) 5.474 2.556 ( 0.000 -3.069 -5.533) 6.327 2.619 ( 0.000 -1.231 -2.832) 3.088 2.661 ( 0.000 -5.128 0.194) 5.132 2.733 ( 0.000 -3.753 -0.699) 3.818 2.761 ( 0.000 -2.853 3.483) 4.503 2.801 ( 0.000 -4.783 -2.632) 5.459 2.833 ( 0.000 -1.568 -1.323) 2.052 2.877 ( 0.000 -3.607 -2.371) 4.316 2.903 ( 0.000 -7.870 -0.224) 7.873 2.936 ( 0.000 2.356 -0.559) 2.421 2.946 ( 0.000 1.751 -5.505) 5.777 3.003 ( 0.000 -8.047 4.343) 9.144 3.055 ( 0.000 -1.407 5.401) 5.581 3.112 ( 0.000 -3.043 0.509) 3.085 3.132 ( 0.000 -1.608 -2.669) 3.116 3.188 ( 0.000 0.272 3.215) 3.226 3.280 ( 0.000 -3.999 -5.475) 6.780 3.290 ( 0.000 -4.254 1.469) 4.501 3.327 ( 0.000 -1.126 -6.491) 6.588 3.345 ( 0.000 -1.826 1.625) 2.444 3.488 ( 0.000 -2.565 -2.394) 3.508 3.514 ( 0.000 -3.227 -4.675) 5.681 3.579 ( 0.000 -2.303 4.431) 4.993 3.599 ( 0.000 -2.615 0.593) 2.681 3.677 ( 0.000 0.113 -0.737) 0.746 3.733 ( 0.000 -5.574 1.647) 5.812 3.824 ( 0.000 2.757 4.096) 4.938 3.848 ( 0.000 7.336 -0.167) 7.338 3.876 ( 0.000 2.329 3.212) 3.968 3.916 ( 0.000 2.763 1.512) 3.149 4.072 ( 0.000 6.135 2.169) 6.507 4.101 ( 0.000 9.257 -1.518) 9.381 4.119 ( 0.000 2.860 3.407) 4.448 4.173 ( 0.000 -7.749 1.798) 7.954 4.209 ( 0.000 0.582 2.814) 2.874 4.235 ( 0.000 1.603 6.819) 7.005 4.524 ( 0.000 0.319 -5.183) 5.192 4.538 ( 0.000 -5.572 3.414) 6.535 4.564 ( 0.000 5.636 -2.447) 6.145 4.619 ( 0.000 6.790 -3.441) 7.612 4.624 ( 0.000 5.456 -4.153) 6.857 4.781 ( 0.000 1.476 -6.670) 6.831 4.896 ( 0.000 -5.620 -2.174) 6.026 4.920 ( 0.000 -5.807 2.115) 6.180 4.972 ( 0.000 -1.021 -2.755) 2.939 5.028 ( 0.000 -6.421 2.894) 7.043 5.083 ( 0.000 -4.625 2.363) 5.194 5.145 ( 0.000 -4.653 -5.029) 6.851 5.153 ( 0.000 0.607 0.116) 0.618 5.243 ( 0.000 -1.512 -4.708) 4.945 5.516 ( 0.000 2.312 8.986) 9.278 5.724 ( 0.000 -8.361 4.429) 9.462 5.832 ( 0.000 4.035 -4.358) 5.939 5.887 ( 0.000 0.871 -2.363) 2.519 7.210 ( 0.000 7.742 4.934) 9.180 7.251 ( 0.000 4.730 3.153) 5.684 7.301 ( 0.000 4.720 4.270) 6.365 7.321 ( 0.000 3.266 3.072) 4.483 7.417 ( 0.000 5.033 -0.939) 5.120 7.419 ( 0.000 11.666 -2.143) 11.861 7.473 ( 0.000 12.238 -0.526) 12.250 7.519 ( 0.000 7.674 -5.069) 9.197 7.656 ( 0.000 -1.112 1.475) 1.847 7.687 ( 0.000 2.203 1.954) 2.945 7.716 ( 0.000 -5.238 3.148) 6.111 7.792 ( 0.000 0.651 0.380) 0.754 7.807 ( 0.000 -4.184 0.456) 4.208 7.825 ( 0.000 0.038 -0.824) 0.825 7.865 ( 0.000 1.960 -0.235) 1.974 7.877 ( 0.000 -1.378 1.795) 2.263 7.939 ( 0.000 -5.755 0.691) 5.796 8.010 ( 0.000 3.129 -1.576) 3.504 8.019 ( 0.000 -2.237 -0.375) 2.268 8.068 ( 0.000 -2.497 -1.437) 2.881 8.185 ( 0.000 -9.631 -7.838) 12.417 8.254 ( 0.000 2.456 -5.056) 5.621 8.357 ( 0.000 -3.391 -0.532) 3.432 8.410 ( 0.000 -6.142 0.365) 6.153 8.688 ( 0.000 1.129 -0.575) 1.267 8.741 ( 0.000 0.473 -4.377) 4.403 8.750 ( 0.000 2.101 -3.359) 3.962 8.815 ( 0.000 0.313 -4.069) 4.082 8.915 ( 0.000 0.562 -2.129) 2.202 8.968 ( 0.000 3.423 -1.690) 3.817 9.026 ( 0.000 -5.352 6.063) 8.088 9.133 ( 0.000 -1.815 0.576) 1.904 9.177 ( 0.000 4.016 4.090) 5.732 9.195 ( 0.000 -4.958 -3.318) 5.966 9.279 ( 0.000 0.450 -1.879) 1.933 9.311 ( 0.000 -0.592 -5.243) 5.276 9.348 ( 0.000 1.314 2.471) 2.798 9.414 ( 0.000 1.529 0.876) 1.762 9.508 ( 0.000 -2.871 1.053) 3.058 9.547 ( 0.000 -4.874 0.848) 4.947 9.600 ( 0.000 6.709 4.635) 8.154 9.712 ( 0.000 -0.369 12.942) 12.947 9.726 ( 0.000 1.603 6.334) 6.534 9.833 ( 0.000 -5.066 2.349) 5.584 10.060 ( 0.000 1.440 -5.524) 5.708 10.146 ( 0.000 -3.173 -3.425) 4.669 10.229 ( 0.000 1.592 -5.720) 5.938 10.238 ( 0.000 -0.022 -4.543) 4.543 10.437 ( 0.000 -2.590 1.877) 3.199 10.450 ( 0.000 -4.205 12.721) 13.398 10.544 ( 0.000 -0.071 -0.041) 0.082 10.585 ( 0.000 -2.829 0.537) 2.879 10.674 ( 0.000 0.733 -1.717) 1.867 10.709 ( 0.000 -1.781 0.002) 1.781 10.829 ( 0.000 1.294 -3.552) 3.780 10.911 ( 0.000 -1.457 -0.529) 1.550 11.046 ( 0.000 0.100 2.741) 2.743 11.090 ( 0.000 -1.484 5.765) 5.953 11.265 ( 0.000 3.126 -3.008) 4.338 11.385 ( 0.000 -1.043 -3.364) 3.522 12.193 ( 0.000 5.076 1.627) 5.331 12.226 ( 0.000 6.212 -4.782) 7.840 12.459 ( 0.000 8.790 -5.305) 10.267 12.474 ( 0.000 4.207 -2.005) 4.660 12.609 ( 0.000 4.349 -9.993) 10.899 12.751 ( 0.000 -7.682 0.687) 7.712 12.964 ( 0.000 -1.730 -10.626) 10.766 13.001 ( 0.000 -7.786 0.655) 7.813 13.285 ( 0.000 2.457 6.168) 6.639 13.401 ( 0.000 -3.647 -2.082) 4.199 13.618 ( 0.000 1.574 -6.026) 6.228 13.697 ( 0.000 -2.797 -7.165) 7.691 13.698 ( 0.000 1.806 13.706) 13.824 13.863 ( 0.000 -5.467 13.424) 14.495 14.133 ( 0.000 1.384 -6.117) 6.271 14.205 ( 0.000 -1.728 -4.807) 5.108 15.191 ( 0.000 0.978 3.539) 3.671 15.194 ( 0.000 0.756 5.334) 5.388 15.340 ( 0.000 4.749 -0.017) 4.749 15.385 ( 0.000 4.661 0.973) 4.761 15.436 ( 0.000 0.859 -4.079) 4.169 15.463 ( 0.000 2.999 0.882) 3.126 15.572 ( 0.000 -3.472 14.324) 14.739 15.609 ( 0.000 -4.728 1.487) 4.956 15.634 ( 0.000 -1.467 -0.143) 1.474 15.675 ( 0.000 -6.744 -1.950) 7.021 15.862 ( 0.000 4.943 -7.635) 9.096 15.975 ( 0.000 0.260 -1.022) 1.054 16.149 ( 0.000 4.426 -2.203) 4.944 16.178 ( 0.000 4.579 -2.301) 5.125 16.207 ( 0.000 1.035 5.321) 5.420 16.370 ( 0.000 -1.071 -1.791) 2.087 17.152 ( 0.000 2.929 0.292) 2.944 17.191 ( 0.000 3.568 -0.096) 3.570 17.211 ( 0.000 -0.223 4.526) 4.531 17.350 ( 0.000 -2.651 6.984) 7.471 17.431 ( 0.000 -2.538 3.043) 3.963 17.452 ( 0.000 -4.937 -5.257) 7.211 17.566 ( 0.000 -1.816 -1.544) 2.383 17.617 ( 0.000 -1.800 -3.572) 4.000 17.999 ( 0.000 4.756 1.913) 5.126 18.063 ( 0.000 1.981 0.012) 1.981 18.118 ( 0.000 -2.440 3.809) 4.523 18.202 ( 0.000 -2.773 -0.434) 2.806 18.217 ( 0.000 -1.097 -0.340) 1.149 18.218 ( 0.000 -5.695 5.005) 7.581 18.375 ( 0.000 -10.298 -4.115) 11.089 18.475 ( 0.000 -11.034 -2.477) 11.309 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 4.867 13.193 12.226) 18.634 1.517 ( 12.528 14.910 4.763) 20.049 1.735 ( -5.445 1.917 9.388) 11.020 1.838 ( 11.250 7.756 -6.864) 15.291 1.924 ( -0.185 6.568 -1.069) 6.657 1.970 ( -1.412 8.155 -3.196) 8.872 2.002 ( 0.622 1.291 5.333) 5.522 2.106 ( -2.427 1.526 0.543) 2.918 2.114 ( 7.202 -4.276 -4.416) 9.468 2.162 ( 1.676 0.596 1.812) 2.539 2.194 ( -3.144 1.212 1.108) 3.547 2.280 ( 4.624 -0.419 0.129) 4.645 2.365 ( 0.507 1.437 2.540) 2.962 2.422 ( 2.106 2.433 -1.660) 3.620 2.452 ( 0.525 2.163 3.192) 3.891 2.484 ( 1.161 2.272 0.772) 2.665 2.515 ( -2.306 1.643 -3.003) 4.128 2.527 ( -3.243 -4.948 -3.069) 6.665 2.560 ( -1.114 0.139 -1.285) 1.706 2.582 ( 2.148 -2.207 0.869) 3.200 2.663 ( -0.834 -3.553 1.252) 3.859 2.688 ( -0.663 -4.164 -0.390) 4.234 2.757 ( -2.833 -2.052 0.621) 3.553 2.762 ( -4.176 -4.406 -1.363) 6.222 2.815 ( -1.692 -5.358 -2.272) 6.061 2.860 ( 0.900 -5.139 2.963) 6.000 2.870 ( 2.537 -1.824 1.252) 3.366 2.937 ( 2.164 -5.759 -2.784) 6.753 2.994 ( -4.197 0.243 -0.549) 4.240 3.002 ( -0.913 -5.247 2.102) 5.726 3.038 ( 3.015 -3.558 1.097) 4.791 3.145 ( 1.098 0.902 1.686) 2.205 3.204 ( 4.056 -1.878 1.387) 4.680 3.247 ( 2.608 -5.141 2.685) 6.359 3.266 ( -1.712 1.606 -1.404) 2.735 3.282 ( 1.232 -1.928 0.055) 2.289 3.315 ( -3.136 -2.593 -2.015) 4.541 3.337 ( -0.379 -2.494 -0.262) 2.536 3.394 ( -2.093 -5.594 -4.537) 7.501 3.460 ( -2.922 -6.300 -4.439) 8.242 3.603 ( 1.439 0.565 1.501) 2.155 3.660 ( 0.897 2.990 2.018) 3.717 3.689 ( 4.273 1.051 0.831) 4.478 3.778 ( 2.125 -0.652 3.288) 3.969 3.836 ( 2.383 2.450 1.581) 3.765 3.886 ( -3.724 1.635 1.243) 4.253 3.902 ( 1.720 5.068 0.597) 5.385 3.939 ( 3.500 0.115 0.091) 3.503 3.953 ( -2.550 3.350 1.062) 4.342 4.083 ( -3.566 6.253 0.316) 7.205 4.116 ( -2.256 5.027 -4.078) 6.855 4.126 ( 0.191 3.786 1.150) 3.962 4.159 ( -0.679 -1.345 1.646) 2.231 4.308 ( -8.128 4.626 -2.042) 9.573 4.397 ( -3.549 6.849 -1.321) 7.826 4.426 ( -4.937 3.265 -6.793) 9.010 4.570 ( 3.292 -3.844 -0.691) 5.108 4.638 ( 2.758 -3.244 5.479) 6.939 4.733 ( 4.557 3.462 -0.273) 5.730 4.849 ( 0.842 -5.477 0.949) 5.622 4.903 ( 1.763 -0.517 1.504) 2.374 4.921 ( 0.400 -8.417 -2.032) 8.668 4.955 ( -2.376 -7.402 1.587) 7.934 4.991 ( -2.546 -6.202 -0.058) 6.704 5.088 ( 0.998 -0.743 0.431) 1.317 5.156 ( -1.305 -2.817 -0.625) 3.167 5.162 ( 3.506 1.337 -5.903) 6.995 5.282 ( 1.464 1.730 -3.187) 3.910 5.538 ( 2.345 -0.901 7.757) 8.154 5.687 ( -3.260 -7.854 4.910) 9.819 5.843 ( 1.205 3.400 -4.612) 5.855 5.889 ( -0.088 1.333 -2.992) 3.277 7.179 ( -1.306 6.615 3.651) 7.667 7.230 ( -3.551 4.877 3.520) 6.985 7.302 ( 2.565 6.575 3.952) 8.089 7.348 ( 0.501 5.657 1.367) 5.841 7.403 ( 0.243 8.479 -2.203) 8.764 7.458 ( 1.787 7.775 -0.558) 7.997 7.476 ( -0.956 7.109 -1.491) 7.326 7.502 ( -0.172 9.767 -2.037) 9.979 7.662 ( -0.141 0.693 0.659) 0.967 7.672 ( -1.198 0.933 2.620) 3.029 7.753 ( 2.129 -1.564 2.158) 3.411 7.786 ( 2.924 -3.493 2.779) 5.336 7.825 ( -0.237 -2.355 1.931) 3.055 7.852 ( 0.993 -2.070 -2.621) 3.485 7.858 ( 2.774 -0.327 -1.260) 3.064 7.920 ( 0.971 2.530 0.154) 2.715 7.965 ( 1.846 -3.372 0.892) 3.946 8.002 ( -0.862 -0.394 1.243) 1.563 8.045 ( 2.243 -3.285 -5.059) 6.436 8.096 ( 2.799 -3.527 -1.760) 4.834 8.175 ( -1.626 -5.188 -8.703) 10.262 8.211 ( -1.982 0.699 -2.559) 3.311 8.336 ( -4.198 -9.104 0.189) 10.027 8.352 ( -3.253 -3.272 -1.323) 4.800 8.686 ( -0.063 1.147 -0.791) 1.394 8.712 ( -1.864 1.662 -1.012) 2.695 8.743 ( -0.547 1.006 -3.032) 3.241 8.788 ( -2.539 0.216 -2.105) 3.305 8.918 ( -0.260 -1.064 -0.600) 1.249 8.988 ( 3.044 2.720 -0.899) 4.180 9.048 ( -0.075 -4.101 3.806) 5.596 9.109 ( -2.980 1.164 4.689) 5.677 9.163 ( 1.137 -3.767 -0.866) 4.030 9.200 ( -0.346 -1.865 -0.403) 1.940 9.233 ( -2.406 1.091 -1.352) 2.968 9.301 ( -1.834 -1.898 -1.176) 2.889 9.348 ( 1.402 2.704 0.368) 3.068 9.423 ( -3.911 0.270 3.633) 5.345 9.435 ( 0.451 3.111 0.305) 3.158 9.586 ( 0.467 -0.440 3.338) 3.399 9.628 ( 5.096 0.089 0.236) 5.102 9.648 ( -2.663 1.533 5.806) 6.569 9.782 ( -1.292 -1.116 8.882) 9.044 9.836 ( -1.373 -4.453 0.052) 4.660 9.929 ( -5.053 1.656 -6.685) 8.542 10.040 ( -6.195 0.092 -3.458) 7.095 10.268 ( 3.164 2.552 -5.897) 7.163 10.371 ( 2.752 1.492 -12.743) 13.122 10.427 ( 4.992 -1.299 6.164) 8.037 10.501 ( 4.188 -2.091 9.029) 10.171 10.603 ( 1.351 -2.843 -0.321) 3.164 10.652 ( 6.621 -1.558 1.870) 7.054 10.718 ( 1.595 0.531 0.183) 1.690 10.757 ( 2.155 -0.780 -4.130) 4.723 10.824 ( 1.035 -1.209 0.053) 1.592 10.978 ( 3.889 0.491 1.473) 4.188 11.028 ( 0.511 -0.716 3.170) 3.290 11.060 ( -1.639 -1.449 5.883) 6.276 11.211 ( -5.072 1.284 -2.167) 5.663 11.328 ( -5.201 -0.260 -1.565) 5.437 12.213 ( 0.228 6.914 -1.356) 7.049 12.287 ( 8.951 2.707 1.319) 9.444 12.408 ( 0.259 9.475 -7.694) 12.208 12.509 ( -6.278 3.301 6.251) 9.455 12.633 ( 3.148 4.319 -8.297) 9.870 12.780 ( -0.007 -4.689 -1.010) 4.797 12.872 ( -7.754 -3.840 -5.417) 10.209 12.926 ( -0.916 -5.205 -5.897) 7.919 13.193 ( -1.283 -0.385 9.365) 9.461 13.419 ( -7.024 -1.014 0.340) 7.105 13.623 ( -3.451 -2.440 13.942) 14.568 13.680 ( -4.856 -1.632 7.237) 8.867 13.711 ( 7.012 -0.741 -11.089) 13.141 13.785 ( -0.166 -0.720 -4.740) 4.797 14.088 ( -6.398 -1.144 -6.527) 9.211 14.112 ( -5.243 0.511 -5.811) 7.843 15.178 ( -0.770 0.987 3.868) 4.066 15.183 ( -0.847 0.745 4.398) 4.540 15.354 ( 0.801 4.271 -2.362) 4.946 15.393 ( -0.454 3.354 -2.306) 4.096 15.443 ( 1.644 2.628 3.512) 4.685 15.503 ( -0.999 0.605 3.823) 3.997 15.563 ( 6.101 0.545 0.577) 6.152 15.677 ( 4.978 -3.360 0.231) 6.010 15.708 ( 3.570 -2.429 -0.780) 4.388 15.790 ( 5.508 -4.847 4.083) 8.396 15.842 ( -0.268 1.979 -4.854) 5.249 16.046 ( 4.748 3.151 2.439) 6.198 16.077 ( -5.892 -1.806 -2.673) 6.717 16.200 ( 3.136 5.866 -1.642) 6.851 16.214 ( 0.113 1.798 2.961) 3.466 16.363 ( -0.942 -1.052 -1.965) 2.420 17.201 ( 4.277 0.413 0.707) 4.355 17.223 ( 1.795 -0.064 2.981) 3.481 17.238 ( 3.476 0.162 1.363) 3.737 17.324 ( -1.972 -1.637 6.854) 7.318 17.393 ( -2.612 -4.164 0.668) 4.961 17.450 ( -2.573 -4.919 -0.667) 5.591 17.558 ( 0.825 -0.531 -3.858) 3.981 17.618 ( -0.406 -1.645 -4.513) 4.820 18.020 ( 2.034 4.173 1.676) 4.936 18.070 ( 0.962 1.082 -0.092) 1.451 18.138 ( 1.724 -2.784 4.295) 5.401 18.154 ( -3.280 -1.007 0.328) 3.446 18.179 ( -3.092 -3.033 -0.186) 4.336 18.221 ( -0.896 -4.501 5.222) 6.952 18.395 ( 1.773 -9.362 -4.778) 10.659 18.466 ( -0.887 -10.299 -3.036) 10.773 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -7.167 8.680 13.596) 17.651 1.589 ( 7.167 8.680 13.596) 17.651 1.767 ( -9.524 13.621 4.310) 17.170 1.767 ( 9.524 13.621 4.310) 17.170 1.978 ( -3.056 6.280 -1.574) 7.159 1.978 ( 3.056 6.280 -1.574) 7.159 2.096 ( -2.954 2.345 -3.324) 5.027 2.096 ( 2.954 2.345 -3.324) 5.027 2.175 ( -5.280 2.306 -3.467) 6.725 2.175 ( 5.280 2.306 -3.467) 6.725 2.278 ( -5.603 -3.184 1.747) 6.677 2.278 ( 5.603 -3.184 1.747) 6.677 2.395 ( -5.286 -1.938 -1.754) 5.897 2.395 ( 5.286 -1.938 -1.754) 5.897 2.427 ( -4.795 -1.051 1.151) 5.042 2.427 ( 4.795 -1.051 1.151) 5.042 2.506 ( -1.058 -2.747 -3.684) 4.715 2.506 ( 1.058 -2.747 -3.684) 4.715 2.578 ( -4.116 -1.392 -1.170) 4.500 2.578 ( 4.116 -1.392 -1.170) 4.500 2.648 ( -2.354 1.137 1.789) 3.168 2.648 ( 2.354 1.137 1.789) 3.168 2.750 ( -2.768 -5.071 -1.637) 6.005 2.750 ( 2.768 -5.071 -1.637) 6.005 2.836 ( -3.879 -3.826 1.889) 5.766 2.836 ( 3.879 -3.826 1.889) 5.766 2.915 ( -3.177 -4.383 3.128) 6.252 2.915 ( 3.177 -4.383 3.128) 6.252 2.969 ( -2.075 -5.284 2.311) 6.129 2.969 ( 2.075 -5.284 2.311) 6.129 3.152 ( -4.621 -0.207 0.866) 4.706 3.152 ( 4.621 -0.207 0.866) 4.706 3.184 ( -2.560 -0.340 1.548) 3.010 3.184 ( 2.560 -0.340 1.548) 3.010 3.265 ( -0.911 -2.433 0.874) 2.741 3.265 ( 0.911 -2.433 0.874) 2.741 3.361 ( -1.936 -3.336 -2.934) 4.846 3.361 ( 1.936 -3.336 -2.934) 4.846 3.396 ( -3.511 -4.328 -3.348) 6.501 3.396 ( 3.511 -4.328 -3.348) 6.501 3.673 ( -3.922 -0.408 2.429) 4.631 3.673 ( 3.922 -0.408 2.429) 4.631 3.738 ( -4.995 3.215 1.365) 6.095 3.738 ( 4.995 3.215 1.365) 6.095 3.853 ( -2.187 1.945 1.075) 3.118 3.853 ( 2.187 1.945 1.075) 3.118 3.945 ( -2.943 5.920 0.029) 6.612 3.945 ( 2.943 5.920 0.029) 6.612 4.036 ( -4.872 5.446 -0.526) 7.326 4.036 ( 4.872 5.446 -0.526) 7.326 4.068 ( -3.432 2.598 -1.183) 4.464 4.068 ( 3.432 2.598 -1.183) 4.464 4.171 ( -3.123 1.969 -4.206) 5.597 4.171 ( 3.123 1.969 -4.206) 5.597 4.362 ( -1.658 6.735 -8.481) 10.956 4.362 ( 1.658 6.735 -8.481) 10.956 4.659 ( -2.151 -5.176 7.183) 9.111 4.659 ( 2.151 -5.176 7.183) 9.111 4.800 ( -3.490 -4.890 2.088) 6.360 4.800 ( 3.490 -4.890 2.088) 6.360 4.908 ( -0.997 -7.048 1.148) 7.210 4.908 ( 0.997 -7.048 1.148) 7.210 4.981 ( -2.075 -3.159 1.466) 4.054 4.981 ( 2.075 -3.159 1.466) 4.054 5.095 ( -2.676 -1.526 -0.121) 3.083 5.095 ( 2.676 -1.526 -0.121) 3.083 5.262 ( -3.542 2.716 -5.602) 7.162 5.262 ( 3.542 2.716 -5.602) 7.162 5.607 ( -3.937 -5.609 6.175) 9.224 5.607 ( 3.937 -5.609 6.175) 9.224 5.874 ( -1.350 2.297 -4.165) 4.945 5.874 ( 1.350 2.297 -4.165) 4.945 7.176 ( -1.255 5.990 3.217) 6.914 7.176 ( 1.255 5.990 3.217) 6.914 7.340 ( -1.114 7.482 1.322) 7.679 7.340 ( 1.114 7.482 1.322) 7.679 7.431 ( -2.096 6.116 -0.853) 6.521 7.431 ( 2.096 6.116 -0.853) 6.521 7.496 ( -0.994 8.948 -1.125) 9.073 7.496 ( 0.994 8.948 -1.125) 9.073 7.656 ( -0.091 1.288 1.008) 1.639 7.656 ( 0.091 1.288 1.008) 1.639 7.792 ( -1.616 -2.817 3.613) 4.858 7.792 ( 1.616 -2.817 3.613) 4.858 7.879 ( -1.633 -1.923 -1.856) 3.132 7.879 ( 1.633 -1.923 -1.856) 3.132 7.911 ( -3.782 0.697 2.007) 4.338 7.911 ( 3.782 0.697 2.007) 4.338 7.964 ( -0.970 -0.221 -1.664) 1.939 7.964 ( 0.970 -0.221 -1.664) 1.939 8.105 ( -3.349 -4.441 -6.397) 8.477 8.105 ( 3.349 -4.441 -6.397) 8.477 8.198 ( -5.441 -4.017 -0.288) 6.770 8.198 ( 5.441 -4.017 -0.288) 6.770 8.269 ( -5.009 -6.428 -3.496) 8.867 8.269 ( 5.009 -6.428 -3.496) 8.867 8.688 ( -0.421 1.569 0.637) 1.745 8.688 ( 0.421 1.569 0.637) 1.745 8.740 ( -1.014 0.385 -1.689) 2.008 8.740 ( 1.014 0.385 -1.689) 2.008 8.958 ( -3.970 0.266 3.050) 5.014 8.958 ( 3.970 0.266 3.050) 5.014 9.085 ( -4.471 -0.051 -1.756) 4.803 9.085 ( 4.471 -0.051 -1.756) 4.803 9.164 ( -4.901 -3.742 4.031) 7.367 9.164 ( 4.901 -3.742 4.031) 7.367 9.256 ( -3.062 -2.188 0.684) 3.825 9.256 ( 3.062 -2.188 0.684) 3.825 9.351 ( -0.429 4.454 2.468) 5.110 9.351 ( 0.429 4.454 2.468) 5.110 9.547 ( -5.371 0.551 -0.564) 5.429 9.547 ( 5.371 0.551 -0.564) 5.429 9.641 ( -4.396 2.749 0.687) 5.230 9.641 ( 4.396 2.749 0.687) 5.230 9.767 ( -5.331 -3.119 -0.136) 6.178 9.767 ( 5.331 -3.119 -0.136) 6.178 9.939 ( -3.130 -0.098 -0.694) 3.208 9.939 ( 3.130 -0.098 -0.694) 3.208 10.343 ( -3.250 3.754 -10.317) 11.450 10.343 ( 3.250 3.754 -10.317) 11.450 10.567 ( -1.471 0.195 6.274) 6.447 10.567 ( 1.471 0.195 6.274) 6.447 10.635 ( -5.352 -1.050 -2.807) 6.134 10.635 ( 5.352 -1.050 -2.807) 6.134 10.753 ( -2.894 -1.852 0.551) 3.480 10.753 ( 2.894 -1.852 0.551) 3.480 10.920 ( -6.269 0.486 2.324) 6.704 10.920 ( 6.269 0.486 2.324) 6.704 11.084 ( -5.571 -1.441 1.501) 5.947 11.084 ( 5.571 -1.441 1.501) 5.947 11.185 ( -8.184 -0.195 2.037) 8.436 11.185 ( 8.184 -0.195 2.037) 8.436 12.295 ( -7.879 7.430 3.457) 11.368 12.295 ( 7.879 7.430 3.457) 11.368 12.483 ( -1.933 3.880 -2.926) 5.230 12.483 ( 1.933 3.880 -2.926) 5.230 12.617 ( -7.472 -2.707 2.800) 8.426 12.617 ( 7.472 -2.707 2.800) 8.426 12.921 ( -4.584 -2.252 -12.679) 13.669 12.921 ( 4.584 -2.252 -12.679) 13.669 13.237 ( -6.864 -1.534 8.072) 10.706 13.237 ( 6.864 -1.534 8.072) 10.706 13.587 ( -1.519 -1.981 12.964) 13.203 13.587 ( 1.519 -1.981 12.964) 13.203 13.819 ( -0.689 -0.925 -14.617) 14.663 13.819 ( 0.689 -0.925 -14.617) 14.663 14.012 ( -2.350 -0.139 -5.291) 5.791 14.012 ( 2.350 -0.139 -5.291) 5.791 15.170 ( -0.176 0.857 3.820) 3.919 15.170 ( 0.176 0.857 3.820) 3.919 15.372 ( -1.044 3.649 -3.631) 5.253 15.372 ( 1.044 3.649 -3.631) 5.253 15.481 ( -1.432 1.249 5.418) 5.741 15.481 ( 1.432 1.249 5.418) 5.741 15.685 ( -4.106 0.788 -4.181) 5.912 15.685 ( 4.106 0.788 -4.181) 5.912 15.799 ( -3.826 -1.007 2.866) 4.885 15.799 ( 3.826 -1.007 2.866) 4.885 15.920 ( -7.448 -0.572 -0.925) 7.527 15.920 ( 7.448 -0.572 -0.925) 7.527 16.154 ( -4.258 2.163 3.461) 5.898 16.154 ( 4.258 2.163 3.461) 5.898 16.312 ( -4.325 -0.153 -2.646) 5.073 16.312 ( 4.325 -0.153 -2.646) 5.073 17.261 ( -2.105 -1.733 4.399) 5.175 17.261 ( 2.105 -1.733 4.399) 5.175 17.306 ( -3.949 -4.039 1.093) 5.754 17.306 ( 3.949 -4.039 1.093) 5.754 17.362 ( -4.099 -1.742 1.261) 4.629 17.362 ( 4.099 -1.742 1.261) 4.629 17.594 ( -1.803 -1.261 -5.445) 5.872 17.594 ( 1.803 -1.261 -5.445) 5.872 18.080 ( -3.496 2.408 0.951) 4.350 18.080 ( 3.496 2.408 0.951) 4.350 18.111 ( -2.930 -1.680 -0.230) 3.386 18.111 ( 2.930 -1.680 -0.230) 3.386 18.184 ( -2.307 -3.926 5.292) 6.981 18.184 ( 2.307 -3.926 5.292) 6.981 18.436 ( -1.897 -9.234 -4.268) 10.348 18.436 ( 1.897 -9.234 -4.268) 10.348 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 -5.323 3.375) 6.303 1.640 ( 0.000 5.323 3.375) 6.303 1.691 ( 0.000 -4.547 6.910) 8.272 1.691 ( 0.000 4.547 6.910) 8.272 1.855 ( 0.000 -7.705 -4.698) 9.024 1.855 ( 0.000 7.705 -4.698) 9.024 2.137 ( 0.000 -6.038 -1.721) 6.279 2.137 ( 0.000 6.038 -1.721) 6.279 2.157 ( 0.000 -4.778 1.912) 5.147 2.157 ( 0.000 4.778 1.912) 5.147 2.295 ( 0.000 -8.742 1.718) 8.909 2.295 ( 0.000 8.742 1.718) 8.909 2.375 ( 0.000 -4.503 -0.126) 4.504 2.375 ( 0.000 4.503 -0.126) 4.504 2.446 ( 0.000 -0.459 -1.903) 1.958 2.446 ( 0.000 0.459 -1.903) 1.958 2.521 ( 0.000 -3.508 2.040) 4.058 2.521 ( 0.000 3.508 2.040) 4.058 2.564 ( 0.000 -3.993 0.206) 3.998 2.564 ( 0.000 3.993 0.206) 3.998 2.695 ( 0.000 -8.670 -1.217) 8.755 2.695 ( 0.000 8.670 -1.217) 8.755 2.741 ( 0.000 -3.051 -2.604) 4.011 2.741 ( 0.000 3.051 -2.604) 4.011 2.796 ( 0.000 -0.511 5.821) 5.844 2.796 ( 0.000 0.511 5.821) 5.844 2.843 ( 0.000 -4.523 2.894) 5.369 2.843 ( 0.000 4.523 2.894) 5.369 3.000 ( 0.000 -0.414 -3.941) 3.963 3.000 ( 0.000 0.414 -3.941) 3.963 3.043 ( 0.000 -1.722 2.229) 2.817 3.043 ( 0.000 1.722 2.229) 2.817 3.163 ( 0.000 -5.188 -5.246) 7.378 3.163 ( 0.000 5.188 -5.246) 7.378 3.211 ( 0.000 -1.982 0.060) 1.983 3.211 ( 0.000 1.982 0.060) 1.983 3.341 ( 0.000 -0.061 -3.659) 3.659 3.341 ( 0.000 0.061 -3.659) 3.659 3.469 ( 0.000 -0.509 -3.279) 3.319 3.469 ( 0.000 0.509 -3.279) 3.319 3.579 ( 0.000 -0.392 2.801) 2.829 3.579 ( 0.000 0.392 2.801) 2.829 3.647 ( 0.000 -0.883 2.059) 2.240 3.647 ( 0.000 0.883 2.059) 2.240 3.884 ( 0.000 -2.363 3.575) 4.286 3.884 ( 0.000 2.363 3.575) 4.286 3.948 ( 0.000 -0.814 1.232) 1.477 3.948 ( 0.000 0.814 1.232) 1.477 4.076 ( 0.000 -0.178 6.066) 6.069 4.076 ( 0.000 0.178 6.066) 6.069 4.196 ( 0.000 -1.146 2.808) 3.032 4.196 ( 0.000 1.146 2.808) 3.032 4.330 ( 0.000 -1.581 1.626) 2.268 4.330 ( 0.000 1.581 1.626) 2.268 4.431 ( 0.000 -1.941 3.227) 3.766 4.431 ( 0.000 1.941 3.227) 3.766 4.636 ( 0.000 -3.153 -8.941) 9.480 4.636 ( 0.000 3.153 -8.941) 9.480 4.774 ( 0.000 -2.817 -2.848) 4.006 4.774 ( 0.000 2.817 -2.848) 4.006 4.846 ( 0.000 -1.006 -2.581) 2.770 4.846 ( 0.000 1.006 -2.581) 2.770 4.939 ( 0.000 -0.007 1.269) 1.269 4.939 ( 0.000 0.007 1.269) 1.269 5.059 ( 0.000 -1.811 -3.279) 3.746 5.059 ( 0.000 1.811 -3.279) 3.746 5.190 ( 0.000 -2.473 -4.200) 4.874 5.190 ( 0.000 2.473 -4.200) 4.874 5.596 ( 0.000 -5.153 8.997) 10.368 5.596 ( 0.000 5.153 8.997) 10.368 5.886 ( 0.000 -1.256 -3.935) 4.131 5.886 ( 0.000 1.256 -3.935) 4.131 7.309 ( 0.000 -0.100 4.836) 4.837 7.309 ( 0.000 0.100 4.836) 4.837 7.342 ( 0.000 -0.079 5.482) 5.483 7.342 ( 0.000 0.079 5.482) 5.483 7.501 ( 0.000 -3.671 -1.744) 4.064 7.501 ( 0.000 3.671 -1.744) 4.064 7.593 ( 0.000 -1.197 -0.676) 1.375 7.593 ( 0.000 1.197 -0.676) 1.375 7.673 ( 0.000 -2.812 -1.234) 3.070 7.673 ( 0.000 2.812 -1.234) 3.070 7.721 ( 0.000 -2.422 1.859) 3.054 7.721 ( 0.000 2.422 1.859) 3.054 7.829 ( 0.000 -2.677 -3.618) 4.501 7.829 ( 0.000 2.677 -3.618) 4.501 7.888 ( 0.000 -1.962 1.854) 2.699 7.888 ( 0.000 1.962 1.854) 2.699 7.939 ( 0.000 -7.865 -5.467) 9.579 7.939 ( 0.000 7.865 -5.467) 9.579 8.006 ( 0.000 -2.405 -1.312) 2.740 8.006 ( 0.000 2.405 -1.312) 2.740 8.196 ( 0.000 -9.434 3.623) 10.105 8.196 ( 0.000 9.434 3.623) 10.105 8.324 ( 0.000 -4.000 -2.433) 4.682 8.324 ( 0.000 4.000 -2.433) 4.682 8.727 ( 0.000 -1.801 -4.295) 4.657 8.727 ( 0.000 1.801 -4.295) 4.657 8.794 ( 0.000 -2.066 -5.028) 5.436 8.794 ( 0.000 2.066 -5.028) 5.436 8.938 ( 0.000 -2.958 2.139) 3.650 8.938 ( 0.000 2.958 2.139) 3.650 9.056 ( 0.000 -4.571 -1.687) 4.872 9.056 ( 0.000 4.571 -1.687) 4.872 9.173 ( 0.000 -1.380 0.973) 1.689 9.173 ( 0.000 1.380 0.973) 1.689 9.312 ( 0.000 -0.042 -5.282) 5.282 9.312 ( 0.000 0.042 -5.282) 5.282 9.414 ( 0.000 -4.884 4.859) 6.889 9.414 ( 0.000 4.884 4.859) 6.889 9.466 ( 0.000 -2.942 -0.373) 2.965 9.466 ( 0.000 2.942 -0.373) 2.965 9.689 ( 0.000 -2.392 4.991) 5.535 9.689 ( 0.000 2.392 4.991) 5.535 9.769 ( 0.000 -1.280 9.013) 9.104 9.769 ( 0.000 1.280 9.013) 9.104 10.092 ( 0.000 -1.557 -4.183) 4.464 10.092 ( 0.000 1.557 -4.183) 4.464 10.239 ( 0.000 -0.395 -0.945) 1.025 10.239 ( 0.000 0.395 -0.945) 1.025 10.407 ( 0.000 -0.091 5.694) 5.695 10.407 ( 0.000 0.091 5.694) 5.695 10.548 ( 0.000 -0.617 -0.017) 0.617 10.548 ( 0.000 0.617 -0.017) 0.617 10.685 ( 0.000 -0.674 -1.632) 1.765 10.685 ( 0.000 0.674 -1.632) 1.765 10.871 ( 0.000 -1.806 -2.265) 2.897 10.871 ( 0.000 1.806 -2.265) 2.897 11.061 ( 0.000 -1.257 5.095) 5.248 11.061 ( 0.000 1.257 5.095) 5.248 11.334 ( 0.000 -3.295 -3.463) 4.780 11.334 ( 0.000 3.295 -3.463) 4.780 12.268 ( 0.000 -1.787 0.301) 1.812 12.268 ( 0.000 1.787 0.301) 1.812 12.579 ( 0.000 -6.221 -1.386) 6.373 12.579 ( 0.000 6.221 -1.386) 6.373 12.621 ( 0.000 -2.753 -4.495) 5.271 12.621 ( 0.000 2.753 -4.495) 5.271 12.927 ( 0.000 -0.804 -8.238) 8.277 12.927 ( 0.000 0.804 -8.238) 8.277 13.338 ( 0.000 -1.312 2.778) 3.072 13.338 ( 0.000 1.312 2.778) 3.072 13.650 ( 0.000 -1.472 -6.765) 6.923 13.650 ( 0.000 1.472 -6.765) 6.923 13.762 ( 0.000 -3.871 13.927) 14.455 13.762 ( 0.000 3.871 13.927) 14.455 14.166 ( 0.000 -1.858 -5.590) 5.891 14.166 ( 0.000 1.858 -5.590) 5.891 15.201 ( 0.000 -0.037 4.877) 4.877 15.201 ( 0.000 0.037 4.877) 4.877 15.420 ( 0.000 -2.720 -2.001) 3.377 15.420 ( 0.000 2.720 -2.001) 3.377 15.485 ( 0.000 -5.209 1.948) 5.562 15.485 ( 0.000 5.209 1.948) 5.562 15.527 ( 0.000 -3.701 3.007) 4.768 15.527 ( 0.000 3.701 3.007) 4.768 15.611 ( 0.000 -0.055 1.020) 1.021 15.611 ( 0.000 0.055 1.020) 1.021 15.940 ( 0.000 -2.375 -6.129) 6.573 15.940 ( 0.000 2.375 -6.129) 6.573 16.195 ( 0.000 -1.563 2.588) 3.023 16.195 ( 0.000 1.563 2.588) 3.023 16.312 ( 0.000 -5.054 -1.540) 5.283 16.312 ( 0.000 5.054 -1.540) 5.283 17.193 ( 0.000 -1.545 1.192) 1.952 17.193 ( 0.000 1.545 1.192) 1.952 17.292 ( 0.000 -5.203 1.739) 5.486 17.292 ( 0.000 5.203 1.739) 5.486 17.386 ( 0.000 -0.497 1.489) 1.570 17.386 ( 0.000 0.497 1.489) 1.570 17.575 ( 0.000 -1.727 -2.554) 3.083 17.575 ( 0.000 1.727 -2.554) 3.083 18.088 ( 0.000 -0.895 0.858) 1.240 18.088 ( 0.000 0.895 0.858) 1.240 18.113 ( 0.000 -5.247 0.771) 5.303 18.113 ( 0.000 5.247 0.771) 5.303 18.197 ( 0.000 -5.644 0.850) 5.708 18.197 ( 0.000 5.644 0.850) 5.708 18.297 ( 0.000 -6.719 -1.951) 6.997 18.297 ( 0.000 6.719 -1.951) 6.997 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.944 0.000 10.411) 10.591 1.685 ( 0.671 -0.000 11.864) 11.883 1.782 ( 9.958 0.000 1.222) 10.033 1.799 ( 8.635 -0.000 3.311) 9.248 1.973 ( 10.201 0.000 -4.332) 11.082 2.005 ( 10.692 -0.000 -4.107) 11.453 2.078 ( -2.980 0.000 5.788) 6.510 2.083 ( -3.170 0.000 5.925) 6.720 2.183 ( 1.457 -0.000 -3.241) 3.553 2.204 ( -2.109 0.000 -2.633) 3.374 2.247 ( 2.411 -0.000 -5.084) 5.626 2.249 ( -2.911 0.000 -0.936) 3.058 2.349 ( -1.419 0.000 -3.817) 4.072 2.375 ( -4.246 -0.000 -5.750) 7.147 2.386 ( -0.340 0.000 -1.134) 1.184 2.480 ( -1.515 0.000 0.803) 1.715 2.523 ( 0.663 0.000 3.756) 3.815 2.533 ( 1.401 -0.000 -1.954) 2.404 2.571 ( -2.706 0.000 -4.054) 4.874 2.625 ( 4.525 0.000 2.065) 4.974 2.651 ( -4.340 0.000 0.390) 4.358 2.662 ( -2.566 -0.000 1.111) 2.797 2.723 ( -2.768 0.000 -0.981) 2.937 2.740 ( 1.513 0.000 -0.620) 1.636 2.788 ( 1.096 0.000 5.710) 5.815 2.791 ( -1.668 -0.000 2.092) 2.675 2.818 ( -1.080 0.000 0.820) 1.356 2.868 ( 1.059 0.000 3.841) 3.985 2.892 ( -4.013 0.000 2.881) 4.940 2.950 ( -2.459 0.000 3.722) 4.461 3.085 ( 4.223 0.000 -3.184) 5.289 3.145 ( 0.845 0.000 -0.162) 0.860 3.175 ( 0.106 0.000 3.662) 3.664 3.196 ( 4.861 0.000 -0.907) 4.945 3.258 ( 5.957 0.000 -2.190) 6.347 3.261 ( 0.351 -0.000 -1.404) 1.447 3.304 ( -4.182 -0.000 -1.891) 4.589 3.318 ( -4.854 0.000 -1.627) 5.120 3.345 ( -2.683 -0.000 -6.283) 6.832 3.382 ( -1.613 0.000 -2.637) 3.091 3.609 ( 2.965 0.000 2.377) 3.800 3.690 ( 1.708 0.000 3.912) 4.269 3.700 ( 2.918 0.000 -1.965) 3.518 3.771 ( 6.666 0.000 -1.254) 6.783 3.841 ( -0.696 0.000 0.569) 0.898 3.880 ( 3.330 0.000 -2.889) 4.409 3.920 ( -1.470 0.000 3.403) 3.707 3.947 ( -3.630 0.000 5.788) 6.832 4.029 ( 3.762 0.000 2.502) 4.518 4.131 ( 0.267 0.000 5.761) 5.767 4.181 ( -0.363 0.000 -2.075) 2.106 4.214 ( -2.207 -0.000 4.821) 5.302 4.242 ( -4.540 0.000 -1.569) 4.804 4.340 ( -5.351 0.000 -1.433) 5.539 4.446 ( -0.167 0.000 -1.035) 1.048 4.453 ( 4.965 0.000 6.814) 8.432 4.558 ( -6.032 0.000 -6.620) 8.956 4.597 ( 0.369 0.000 -1.538) 1.581 4.752 ( -3.338 0.000 -4.986) 6.000 4.785 ( -4.820 -0.000 1.977) 5.210 4.792 ( 3.745 0.000 -2.861) 4.713 4.873 ( -1.101 0.000 -2.692) 2.908 4.893 ( -5.641 -0.000 -0.602) 5.673 4.933 ( 5.148 0.000 3.791) 6.394 5.046 ( 0.086 -0.000 -5.974) 5.975 5.125 ( 0.976 0.000 2.380) 2.573 5.189 ( 4.999 0.000 -7.852) 9.308 5.297 ( 3.242 0.000 -3.123) 4.501 5.565 ( -1.803 0.000 8.732) 8.916 5.582 ( -1.487 -0.000 9.608) 9.722 5.882 ( 0.472 0.000 -4.816) 4.839 5.900 ( 0.463 0.000 -4.133) 4.159 7.258 ( -1.984 0.000 4.380) 4.808 7.266 ( -2.685 -0.000 4.621) 5.345 7.375 ( 3.120 0.000 5.060) 5.945 7.411 ( 2.274 0.000 6.937) 7.300 7.479 ( -0.083 0.000 -3.876) 3.877 7.542 ( -2.426 0.000 -3.646) 4.379 7.573 ( 2.859 0.000 0.741) 2.954 7.589 ( -0.219 -0.000 1.906) 1.919 7.703 ( 1.318 -0.000 0.557) 1.431 7.703 ( 0.868 0.000 -3.798) 3.896 7.715 ( 0.246 0.000 2.477) 2.489 7.746 ( 1.766 0.000 0.142) 1.772 7.806 ( -2.507 0.000 -1.137) 2.752 7.815 ( 0.500 -0.000 -1.984) 2.046 7.842 ( 1.960 0.000 -0.120) 1.964 7.922 ( 2.467 0.000 1.204) 2.745 7.972 ( 2.613 -0.000 -7.844) 8.268 8.004 ( 2.473 0.000 -5.949) 6.442 8.031 ( 1.397 0.000 -3.274) 3.560 8.045 ( 1.999 -0.000 -3.141) 3.723 8.142 ( -3.194 -0.000 2.424) 4.010 8.172 ( -3.144 0.000 2.441) 3.980 8.244 ( -5.348 -0.000 -0.627) 5.385 8.288 ( -4.060 0.000 -2.008) 4.530 8.714 ( -0.557 0.000 -3.664) 3.706 8.716 ( -0.856 0.000 -2.223) 2.382 8.768 ( -1.627 -0.000 -3.713) 4.054 8.779 ( -2.235 0.000 -2.726) 3.525 8.930 ( 0.697 -0.000 3.783) 3.847 8.961 ( 0.950 0.000 2.783) 2.941 9.044 ( 0.652 0.000 0.994) 1.189 9.080 ( 0.897 -0.000 -2.143) 2.323 9.148 ( -2.193 0.000 1.245) 2.522 9.195 ( -0.135 -0.000 2.130) 2.134 9.230 ( -2.749 0.000 -1.329) 3.053 9.279 ( -3.835 0.000 -0.145) 3.838 9.388 ( 0.737 0.000 0.798) 1.086 9.431 ( -2.757 0.000 8.813) 9.234 9.458 ( 4.186 0.000 -2.851) 5.064 9.546 ( 2.801 0.000 1.503) 3.178 9.665 ( 1.413 0.000 -1.952) 2.410 9.678 ( -2.944 0.000 7.550) 8.104 9.756 ( 0.178 0.000 2.568) 2.574 9.789 ( -2.430 0.000 8.219) 8.571 9.954 ( -5.464 0.000 -6.493) 8.486 10.035 ( -5.813 0.000 -3.141) 6.608 10.307 ( 4.717 0.000 -6.970) 8.416 10.363 ( 9.304 0.000 -6.616) 11.417 10.435 ( 1.972 0.000 1.696) 2.600 10.474 ( 4.631 0.000 9.176) 10.278 10.560 ( 1.846 0.000 1.842) 2.608 10.636 ( 6.392 0.000 1.274) 6.518 10.731 ( 2.235 0.000 2.813) 3.592 10.750 ( 3.129 0.000 -4.572) 5.540 10.808 ( -0.456 0.000 -3.617) 3.646 10.983 ( 4.637 0.000 0.555) 4.670 11.023 ( -2.053 -0.000 5.779) 6.133 11.041 ( 0.035 0.000 4.847) 4.847 11.229 ( -7.267 0.000 -3.232) 7.953 11.318 ( -3.955 0.000 -1.008) 4.081 12.289 ( 1.451 0.000 0.818) 1.666 12.317 ( 6.354 0.000 3.955) 7.485 12.524 ( -1.796 0.000 -4.322) 4.680 12.547 ( -0.566 0.000 -1.026) 1.171 12.698 ( -11.307 0.000 -11.457) 16.097 12.705 ( 8.996 0.000 -1.903) 9.195 12.831 ( -9.120 -0.000 -1.362) 9.221 12.846 ( 4.589 0.000 -6.154) 7.676 13.193 ( -2.869 0.000 9.140) 9.580 13.410 ( -6.878 0.000 0.591) 6.903 13.593 ( -5.494 0.000 15.629) 16.566 13.665 ( -3.397 0.000 5.730) 6.661 13.703 ( 6.951 0.000 -11.048) 13.053 13.781 ( 0.209 0.000 -3.310) 3.316 14.074 ( -6.202 0.000 -7.533) 9.757 14.117 ( -5.164 0.000 -5.773) 7.746 15.188 ( -0.835 0.000 4.554) 4.630 15.191 ( -0.828 0.000 4.502) 4.577 15.411 ( -0.309 -0.000 -2.522) 2.541 15.424 ( -0.170 0.000 -4.403) 4.406 15.471 ( 0.017 -0.000 7.036) 7.036 15.512 ( -0.410 0.000 3.005) 3.033 15.573 ( 6.167 -0.000 -0.513) 6.188 15.623 ( 7.380 0.000 2.349) 7.745 15.685 ( 6.245 0.000 -1.902) 6.528 15.731 ( 6.635 0.000 4.151) 7.827 15.869 ( -1.964 0.000 -5.958) 6.273 16.037 ( 1.192 0.000 -6.745) 6.849 16.105 ( -2.148 0.000 5.726) 6.115 16.228 ( -0.349 0.000 2.990) 3.010 16.299 ( -0.001 0.000 -2.711) 2.711 16.324 ( 0.144 -0.000 -1.124) 1.134 17.205 ( 1.398 0.000 2.152) 2.566 17.214 ( 1.616 -0.000 0.762) 1.787 17.283 ( -0.782 0.000 2.046) 2.191 17.305 ( 1.147 0.000 0.765) 1.379 17.325 ( -3.431 0.000 3.426) 4.848 17.394 ( -1.506 0.000 1.520) 2.140 17.556 ( 0.334 0.000 -4.349) 4.362 17.596 ( 0.124 0.000 -3.750) 3.752 18.088 ( 0.206 -0.000 0.634) 0.666 18.100 ( 0.589 0.000 1.301) 1.428 18.104 ( -0.015 -0.000 0.513) 0.513 18.120 ( 0.337 0.000 2.041) 2.069 18.165 ( -2.377 -0.000 0.531) 2.436 18.185 ( -1.379 0.000 2.286) 2.670 18.296 ( 1.024 -0.000 -3.248) 3.406 18.323 ( 0.769 0.000 -2.251) 2.379 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.25) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -0.901 0.000 14.088) 14.117 1.689 ( 0.901 0.000 14.088) 14.117 1.934 ( -0.156 -0.000 3.462) 3.465 1.934 ( 0.156 0.000 3.462) 3.465 2.033 ( -0.445 0.000 6.147) 6.163 2.033 ( 0.445 0.000 6.147) 6.163 2.104 ( -1.023 0.000 0.466) 1.124 2.104 ( 1.023 0.000 0.466) 1.124 2.235 ( -0.281 -0.000 -5.320) 5.327 2.235 ( 0.281 0.000 -5.320) 5.327 2.258 ( -0.849 0.000 -5.169) 5.239 2.258 ( 0.849 0.000 -5.169) 5.239 2.325 ( -4.423 -0.000 -7.489) 8.698 2.325 ( 4.423 0.000 -7.489) 8.698 2.417 ( -6.080 0.000 -8.929) 10.802 2.417 ( 6.080 -0.000 -8.929) 10.802 2.480 ( -1.420 0.000 2.736) 3.083 2.480 ( 1.420 0.000 2.736) 3.083 2.563 ( -1.140 0.000 0.053) 1.141 2.563 ( 1.140 0.000 0.053) 1.141 2.641 ( -1.001 -0.000 1.523) 1.822 2.641 ( 1.001 0.000 1.523) 1.822 2.730 ( -1.930 0.000 -1.424) 2.398 2.730 ( 1.930 0.000 -1.424) 2.398 2.804 ( -1.127 0.000 4.613) 4.748 2.804 ( 1.127 0.000 4.613) 4.748 2.820 ( -2.444 -0.000 4.756) 5.347 2.820 ( 2.444 -0.000 4.756) 5.347 2.918 ( -2.369 0.000 5.545) 6.030 2.918 ( 2.369 0.000 5.545) 6.030 3.156 ( -2.750 0.000 4.495) 5.269 3.156 ( 2.750 0.000 4.495) 5.269 3.184 ( -2.859 0.000 -0.722) 2.949 3.184 ( 2.859 0.000 -0.722) 2.949 3.233 ( -2.841 0.000 -0.252) 2.852 3.233 ( 2.841 0.000 -0.252) 2.852 3.329 ( -1.232 0.000 -6.812) 6.923 3.329 ( 1.232 0.000 -6.812) 6.923 3.352 ( -2.271 0.000 -2.455) 3.344 3.352 ( 2.271 0.000 -2.455) 3.344 3.666 ( -2.928 0.000 3.021) 4.208 3.666 ( 2.928 0.000 3.021) 4.208 3.755 ( -3.820 0.000 -0.994) 3.947 3.755 ( 3.820 0.000 -0.994) 3.947 3.895 ( -3.243 0.000 -0.158) 3.247 3.895 ( 3.243 0.000 -0.158) 3.247 3.971 ( -0.060 0.000 -4.437) 4.438 3.971 ( 0.060 0.000 -4.437) 4.438 4.086 ( -2.695 0.000 5.178) 5.837 4.086 ( 2.695 0.000 5.178) 5.838 4.161 ( -0.189 0.000 2.897) 2.903 4.161 ( 0.189 0.000 2.897) 2.903 4.216 ( -4.208 -0.000 -2.881) 5.100 4.216 ( 4.208 0.000 -2.881) 5.100 4.457 ( -1.386 0.000 -5.617) 5.785 4.457 ( 1.386 0.000 -5.617) 5.785 4.579 ( -2.978 0.000 5.137) 5.938 4.579 ( 2.978 0.000 5.137) 5.938 4.718 ( -1.085 0.000 0.521) 1.204 4.718 ( 1.085 -0.000 0.521) 1.204 4.810 ( -1.210 0.000 -1.643) 2.041 4.810 ( 1.210 0.000 -1.643) 2.041 4.943 ( -3.877 0.000 -1.807) 4.278 4.943 ( 3.877 -0.000 -1.807) 4.278 5.089 ( -3.639 0.000 1.188) 3.828 5.089 ( 3.639 0.000 1.188) 3.828 5.292 ( -3.519 0.000 -5.433) 6.473 5.292 ( 3.519 0.000 -5.433) 6.473 5.553 ( -0.828 0.000 9.415) 9.452 5.553 ( 0.828 0.000 9.415) 9.452 5.898 ( -0.685 0.000 -4.948) 4.995 5.898 ( 0.685 0.000 -4.948) 4.995 7.236 ( -0.121 0.000 4.181) 4.183 7.236 ( 0.121 0.000 4.181) 4.183 7.424 ( -1.056 0.000 6.363) 6.450 7.424 ( 1.056 0.000 6.363) 6.450 7.494 ( -1.599 0.000 -3.816) 4.138 7.494 ( 1.599 0.000 -3.816) 4.138 7.597 ( -0.661 0.000 0.780) 1.022 7.597 ( 0.661 0.000 0.780) 1.022 7.708 ( -0.192 0.000 -2.169) 2.177 7.708 ( 0.192 0.000 -2.169) 2.177 7.735 ( -1.323 0.000 1.674) 2.134 7.735 ( 1.323 -0.000 1.674) 2.134 7.817 ( -1.392 0.000 0.503) 1.480 7.817 ( 1.392 0.000 0.503) 1.480 7.947 ( -3.770 0.000 -0.917) 3.880 7.947 ( 3.770 0.000 -0.917) 3.880 8.020 ( -0.173 -0.000 -6.884) 6.886 8.020 ( 0.173 0.000 -6.884) 6.886 8.031 ( -1.551 -0.000 -4.581) 4.837 8.031 ( 1.551 0.000 -4.581) 4.837 8.110 ( -1.132 -0.000 -0.658) 1.310 8.110 ( 1.132 -0.000 -0.658) 1.310 8.202 ( -2.657 0.000 -0.654) 2.736 8.202 ( 2.657 0.000 -0.654) 2.736 8.711 ( -0.172 0.000 0.029) 0.174 8.711 ( 0.172 0.000 0.029) 0.174 8.741 ( -0.029 0.000 -2.561) 2.561 8.741 ( 0.029 0.000 -2.561) 2.561 8.964 ( -1.664 0.000 4.105) 4.430 8.964 ( 1.664 0.000 4.105) 4.430 9.082 ( -2.804 0.000 2.142) 3.528 9.082 ( 2.804 0.000 2.142) 3.528 9.123 ( -1.217 -0.000 2.833) 3.083 9.123 ( 1.217 0.000 2.833) 3.083 9.227 ( -1.387 0.000 0.298) 1.418 9.227 ( 1.387 0.000 0.298) 1.418 9.413 ( -0.562 0.000 2.526) 2.588 9.413 ( 0.562 0.000 2.526) 2.588 9.544 ( -3.025 0.000 1.956) 3.603 9.544 ( 3.025 0.000 1.956) 3.603 9.666 ( -1.667 0.000 -0.316) 1.697 9.666 ( 1.667 0.000 -0.316) 1.697 9.732 ( -0.557 0.000 0.248) 0.610 9.732 ( 0.557 0.000 0.248) 0.610 9.938 ( -2.825 0.000 -1.051) 3.014 9.938 ( 2.825 0.000 -1.051) 3.014 10.390 ( -2.734 0.000 -13.533) 13.807 10.390 ( 2.734 0.000 -13.533) 13.807 10.559 ( -1.725 0.000 9.340) 9.498 10.559 ( 1.725 0.000 9.340) 9.498 10.634 ( -10.188 0.000 -2.479) 10.486 10.634 ( 10.188 -0.000 -2.479) 10.486 10.730 ( -2.100 0.000 -0.238) 2.113 10.730 ( 2.100 0.000 -0.238) 2.113 10.925 ( -6.209 0.000 2.517) 6.699 10.925 ( 6.209 0.000 2.517) 6.699 11.067 ( -6.670 0.000 0.765) 6.713 11.067 ( 6.670 0.000 0.765) 6.713 11.184 ( -8.284 0.000 2.083) 8.542 11.184 ( 8.284 0.000 2.083) 8.542 12.395 ( -8.738 0.000 0.674) 8.764 12.395 ( 8.738 0.000 0.674) 8.764 12.500 ( -2.350 -0.000 2.226) 3.237 12.500 ( 2.350 -0.000 2.226) 3.237 12.597 ( -9.085 0.000 -0.129) 9.086 12.597 ( 9.085 0.000 -0.129) 9.086 12.892 ( -5.761 0.000 -12.454) 13.722 12.892 ( 5.761 0.000 -12.454) 13.722 13.221 ( -7.716 0.000 8.558) 11.523 13.221 ( 7.716 0.000 8.558) 11.523 13.567 ( -3.242 0.000 14.094) 14.462 13.567 ( 3.242 0.000 14.094) 14.462 13.810 ( -0.145 0.000 -15.339) 15.339 13.810 ( 0.145 0.000 -15.339) 15.339 14.010 ( -2.538 0.000 -5.797) 6.328 14.010 ( 2.538 0.000 -5.797) 6.328 15.179 ( -0.100 0.000 4.197) 4.198 15.179 ( 0.100 0.000 4.197) 4.198 15.412 ( -0.451 0.000 -3.934) 3.960 15.412 ( 0.451 0.000 -3.934) 3.960 15.493 ( -1.354 0.000 5.793) 5.949 15.493 ( 1.354 0.000 5.793) 5.949 15.685 ( -3.079 0.000 -1.923) 3.630 15.685 ( 3.079 0.000 -1.923) 3.630 15.792 ( -1.966 0.000 1.936) 2.759 15.792 ( 1.966 0.000 1.936) 2.759 15.913 ( -6.887 0.000 -2.359) 7.280 15.913 ( 6.887 0.000 -2.359) 7.280 16.180 ( -4.080 0.000 3.039) 5.087 16.180 ( 4.080 0.000 3.039) 5.087 16.314 ( -1.015 0.000 -2.251) 2.469 16.314 ( 1.015 0.000 -2.251) 2.469 17.245 ( -0.744 -0.000 1.935) 2.073 17.245 ( 0.744 -0.000 1.935) 2.073 17.262 ( -0.487 0.000 2.276) 2.328 17.262 ( 0.487 0.000 2.276) 2.328 17.344 ( -2.519 0.000 1.753) 3.069 17.344 ( 2.519 0.000 1.753) 3.069 17.580 ( -1.394 0.000 -5.264) 5.445 17.580 ( 1.394 0.000 -5.264) 5.445 18.096 ( -0.576 0.000 1.028) 1.179 18.096 ( 0.576 0.000 1.028) 1.179 18.120 ( -1.569 0.000 0.862) 1.791 18.120 ( 1.569 -0.000 0.862) 1.791 18.148 ( -1.923 0.000 2.627) 3.256 18.148 ( 1.923 0.000 2.627) 3.256 18.321 ( -0.912 -0.000 -3.237) 3.363 18.321 ( 0.912 0.000 -3.237) 3.363 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 0.000 -21.185) 21.185 0.931 ( 0.000 0.000 21.185) 21.185 0.968 ( 0.000 0.000 -23.842) 23.842 0.968 ( 0.000 0.000 23.842) 23.842 1.914 ( 0.000 0.000 -31.986) 31.986 1.914 ( 0.000 0.000 31.986) 31.986 2.009 ( 0.000 0.000 -1.580) 1.580 2.009 ( 0.000 0.000 1.580) 1.580 2.075 ( 0.000 0.000 -0.801) 0.801 2.075 ( 0.000 0.000 0.801) 0.801 2.166 ( 0.000 0.000 -4.117) 4.117 2.166 ( 0.000 0.000 4.117) 4.117 2.188 ( 0.000 0.000 -19.619) 19.619 2.188 ( 0.000 0.000 19.619) 19.619 2.542 ( 0.000 0.000 -4.922) 4.922 2.542 ( 0.000 0.000 4.922) 4.922 2.547 ( 0.000 0.000 -3.645) 3.645 2.547 ( 0.000 0.000 3.645) 3.645 2.683 ( 0.000 0.000 -9.943) 9.943 2.683 ( 0.000 0.000 9.943) 9.943 2.752 ( 0.000 0.000 -6.194) 6.194 2.752 ( 0.000 0.000 6.194) 6.194 2.910 ( 0.000 0.000 -8.701) 8.701 2.910 ( 0.000 0.000 8.701) 8.701 2.941 ( 0.000 0.000 -6.480) 6.480 2.941 ( 0.000 0.000 6.480) 6.480 3.022 ( 0.000 0.000 -1.514) 1.514 3.022 ( 0.000 0.000 1.514) 1.514 3.121 ( 0.000 0.000 -3.234) 3.234 3.121 ( 0.000 0.000 3.234) 3.234 3.134 ( 0.000 0.000 -1.491) 1.491 3.134 ( 0.000 0.000 1.491) 1.491 3.372 ( 0.000 0.000 -4.515) 4.515 3.372 ( 0.000 0.000 4.515) 4.515 3.463 ( 0.000 0.000 -4.675) 4.675 3.463 ( 0.000 0.000 4.675) 4.675 3.526 ( 0.000 0.000 -3.727) 3.727 3.526 ( 0.000 0.000 3.727) 3.727 3.545 ( 0.000 0.000 -1.231) 1.231 3.545 ( 0.000 0.000 1.231) 1.231 3.580 ( 0.000 0.000 -3.292) 3.292 3.580 ( 0.000 0.000 3.292) 3.292 3.712 ( 0.000 0.000 -4.335) 4.335 3.712 ( 0.000 0.000 4.335) 4.335 3.761 ( 0.000 0.000 -0.741) 0.741 3.761 ( 0.000 0.000 0.741) 0.741 3.768 ( 0.000 0.000 -1.201) 1.201 3.768 ( 0.000 0.000 1.201) 1.201 3.999 ( 0.000 0.000 -0.632) 0.632 3.999 ( 0.000 0.000 0.632) 0.632 4.071 ( 0.000 0.000 -6.607) 6.607 4.071 ( 0.000 0.000 6.607) 6.607 4.169 ( 0.000 0.000 -4.353) 4.353 4.169 ( 0.000 0.000 4.353) 4.353 4.528 ( 0.000 0.000 -9.445) 9.445 4.528 ( 0.000 0.000 9.445) 9.445 4.727 ( 0.000 0.000 -2.006) 2.006 4.727 ( 0.000 0.000 2.006) 2.006 4.757 ( 0.000 0.000 -1.679) 1.679 4.757 ( 0.000 0.000 1.679) 1.679 4.964 ( 0.000 0.000 -3.534) 3.534 4.964 ( 0.000 0.000 3.534) 3.534 5.130 ( 0.000 0.000 -9.404) 9.404 5.130 ( 0.000 0.000 9.404) 9.404 5.140 ( 0.000 0.000 -2.694) 2.694 5.140 ( 0.000 0.000 2.694) 2.694 5.307 ( 0.000 0.000 -6.642) 6.642 5.307 ( 0.000 0.000 6.642) 6.642 5.580 ( 0.000 0.000 -1.868) 1.868 5.580 ( 0.000 0.000 1.868) 1.868 6.092 ( 0.000 0.000 -9.401) 9.401 6.092 ( 0.000 0.000 9.401) 9.401 6.703 ( 0.000 0.000 -2.930) 2.930 6.703 ( 0.000 0.000 2.930) 2.930 6.941 ( 0.000 0.000 -8.904) 8.904 6.941 ( 0.000 0.000 8.904) 8.904 6.982 ( 0.000 0.000 -7.713) 7.713 6.982 ( 0.000 0.000 7.713) 7.713 7.064 ( 0.000 0.000 -5.022) 5.022 7.064 ( 0.000 0.000 5.022) 5.022 7.694 ( 0.000 0.000 -3.888) 3.888 7.694 ( 0.000 0.000 3.888) 3.888 7.908 ( 0.000 0.000 -1.803) 1.803 7.908 ( 0.000 0.000 1.803) 1.803 7.954 ( 0.000 0.000 -8.535) 8.535 7.954 ( 0.000 0.000 8.535) 8.535 8.056 ( 0.000 0.000 -9.144) 9.144 8.056 ( 0.000 0.000 9.144) 9.144 8.071 ( 0.000 0.000 -2.498) 2.498 8.071 ( 0.000 0.000 2.498) 2.498 8.090 ( 0.000 0.000 -2.935) 2.935 8.090 ( 0.000 0.000 2.935) 2.935 8.229 ( 0.000 0.000 -9.088) 9.088 8.229 ( 0.000 0.000 9.088) 9.088 8.348 ( 0.000 0.000 -3.720) 3.720 8.348 ( 0.000 0.000 3.720) 3.720 8.681 ( 0.000 0.000 -1.096) 1.096 8.681 ( 0.000 0.000 1.096) 1.096 8.721 ( 0.000 0.000 -0.579) 0.579 8.721 ( 0.000 0.000 0.579) 0.579 8.894 ( 0.000 0.000 -8.094) 8.094 8.894 ( 0.000 0.000 8.094) 8.094 8.915 ( 0.000 0.000 -2.421) 2.421 8.915 ( 0.000 0.000 2.421) 2.421 9.118 ( 0.000 0.000 -2.122) 2.122 9.118 ( 0.000 0.000 2.122) 2.122 9.273 ( 0.000 0.000 -1.327) 1.327 9.273 ( 0.000 0.000 1.327) 1.327 9.386 ( 0.000 0.000 -0.481) 0.481 9.386 ( 0.000 0.000 0.481) 0.481 9.511 ( 0.000 0.000 -7.151) 7.151 9.511 ( 0.000 0.000 7.151) 7.151 9.736 ( 0.000 0.000 -0.216) 0.216 9.736 ( 0.000 0.000 0.216) 0.216 9.891 ( 0.000 0.000 -0.594) 0.594 9.891 ( 0.000 0.000 0.594) 0.594 9.971 ( 0.000 0.000 -7.711) 7.711 9.971 ( 0.000 0.000 7.711) 7.711 10.248 ( 0.000 0.000 -9.575) 9.575 10.248 ( 0.000 0.000 9.575) 9.575 10.492 ( 0.000 0.000 -2.581) 2.581 10.492 ( 0.000 0.000 2.581) 2.581 10.661 ( 0.000 0.000 -0.195) 0.195 10.661 ( 0.000 0.000 0.195) 0.195 10.908 ( 0.000 0.000 -2.561) 2.561 10.908 ( 0.000 0.000 2.561) 2.561 10.926 ( 0.000 0.000 -5.400) 5.400 10.926 ( 0.000 0.000 5.400) 5.400 11.071 ( 0.000 0.000 -3.768) 3.768 11.071 ( 0.000 0.000 3.768) 3.768 11.170 ( 0.000 0.000 -1.960) 1.960 11.170 ( 0.000 0.000 1.960) 1.960 11.802 ( 0.000 0.000 -11.384) 11.384 11.802 ( 0.000 0.000 11.384) 11.384 12.018 ( 0.000 0.000 -5.546) 5.546 12.018 ( 0.000 0.000 5.546) 5.546 12.859 ( 0.000 0.000 -4.776) 4.776 12.859 ( 0.000 0.000 4.776) 4.776 13.159 ( 0.000 0.000 -23.561) 23.561 13.159 ( 0.000 0.000 23.561) 23.561 13.447 ( 0.000 0.000 -6.026) 6.026 13.447 ( 0.000 0.000 6.026) 6.026 13.602 ( 0.000 0.000 -12.166) 12.166 13.602 ( 0.000 0.000 12.166) 12.166 13.936 ( 0.000 0.000 -8.782) 8.782 13.936 ( 0.000 0.000 8.782) 8.782 14.127 ( 0.000 0.000 -3.074) 3.074 14.127 ( 0.000 0.000 3.074) 3.074 15.136 ( 0.000 0.000 -0.042) 0.042 15.136 ( 0.000 0.000 0.042) 0.042 15.245 ( 0.000 0.000 -4.161) 4.161 15.245 ( 0.000 0.000 4.161) 4.161 15.318 ( 0.000 0.000 -4.985) 4.985 15.318 ( 0.000 0.000 4.985) 4.985 15.572 ( 0.000 0.000 -5.691) 5.691 15.572 ( 0.000 0.000 5.691) 5.691 15.679 ( 0.000 0.000 -1.101) 1.101 15.679 ( 0.000 0.000 1.101) 1.101 15.881 ( 0.000 0.000 -1.167) 1.167 15.881 ( 0.000 0.000 1.167) 1.167 16.221 ( 0.000 0.000 -6.773) 6.773 16.221 ( 0.000 0.000 6.773) 6.773 16.520 ( 0.000 0.000 -0.824) 0.824 16.520 ( 0.000 0.000 0.824) 0.824 17.091 ( 0.000 0.000 -1.804) 1.804 17.091 ( 0.000 0.000 1.804) 1.804 17.422 ( 0.000 0.000 -7.253) 7.253 17.422 ( 0.000 0.000 7.253) 7.253 17.541 ( 0.000 0.000 -3.173) 3.173 17.541 ( 0.000 0.000 3.173) 3.173 17.779 ( 0.000 0.000 -0.886) 0.886 17.779 ( 0.000 0.000 0.886) 0.886 17.969 ( 0.000 0.000 -2.935) 2.935 17.969 ( 0.000 0.000 2.935) 2.935 18.450 ( 0.000 0.000 -6.760) 6.760 18.450 ( 0.000 0.000 6.760) 6.760 18.480 ( 0.000 0.000 -13.314) 13.314 18.480 ( 0.000 0.000 13.314) 13.314 19.083 ( 0.000 0.000 -0.508) 0.508 19.083 ( 0.000 0.000 0.508) 0.508 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.25 0.00 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 9.307 0.000 -19.808) 21.885 1.062 ( 9.307 0.000 19.808) 21.885 1.151 ( 16.691 0.000 -17.232) 23.990 1.151 ( 16.691 0.000 17.232) 23.990 1.705 ( -18.425 0.000 -8.304) 20.210 1.705 ( -18.425 0.000 8.304) 20.210 1.813 ( -13.064 0.000 -15.615) 20.359 1.813 ( -13.064 0.000 15.615) 20.359 2.105 ( 12.562 0.000 -21.847) 25.201 2.105 ( 12.562 0.000 21.847) 25.201 2.308 ( 6.266 0.000 -7.918) 10.097 2.308 ( 6.266 0.000 7.918) 10.097 2.333 ( 4.971 0.000 -0.060) 4.972 2.333 ( 4.971 0.000 0.060) 4.972 2.570 ( 2.774 0.000 -2.200) 3.541 2.570 ( 2.774 0.000 2.200) 3.541 2.634 ( -0.394 0.000 -4.832) 4.848 2.634 ( -0.394 0.000 4.832) 4.848 2.707 ( 11.844 0.000 -2.733) 12.155 2.707 ( 11.844 0.000 2.733) 12.155 2.833 ( 0.468 0.000 -3.597) 3.627 2.833 ( 0.468 0.000 3.597) 3.627 2.857 ( -3.051 0.000 -4.020) 5.047 2.857 ( -3.051 0.000 4.020) 5.047 2.980 ( -6.782 0.000 -4.111) 7.930 2.980 ( -6.782 0.000 4.111) 7.930 3.005 ( 5.696 0.000 -3.064) 6.468 3.005 ( 5.696 0.000 3.064) 6.468 3.079 ( -0.234 0.000 -0.045) 0.238 3.079 ( -0.234 0.000 0.045) 0.238 3.161 ( -0.727 0.000 -3.539) 3.612 3.161 ( -0.727 0.000 3.539) 3.612 3.337 ( -1.162 0.000 -0.212) 1.182 3.337 ( -1.162 0.000 0.212) 1.182 3.415 ( -6.392 0.000 -10.889) 12.627 3.415 ( -6.392 0.000 10.889) 12.627 3.463 ( -5.094 0.000 -0.387) 5.109 3.463 ( -5.094 0.000 0.387) 5.109 3.474 ( -1.342 0.000 -3.298) 3.560 3.474 ( -1.342 0.000 3.298) 3.560 3.600 ( -0.624 0.000 -3.151) 3.212 3.600 ( -0.624 0.000 3.151) 3.212 3.664 ( -3.289 0.000 -3.096) 4.517 3.664 ( -3.289 0.000 3.096) 4.517 3.717 ( -0.403 0.000 -1.062) 1.136 3.717 ( -0.403 0.000 1.062) 1.136 3.828 ( 0.389 0.000 -3.692) 3.712 3.828 ( 0.389 0.000 3.692) 3.712 3.882 ( -2.445 0.000 -5.579) 6.091 3.882 ( -2.445 0.000 5.579) 6.091 4.061 ( -6.830 0.000 -4.566) 8.216 4.061 ( -6.830 0.000 4.566) 8.216 4.233 ( 6.226 0.000 -4.200) 7.510 4.233 ( 6.226 0.000 4.200) 7.510 4.500 ( 2.530 0.000 -5.708) 6.244 4.500 ( 2.530 0.000 5.708) 6.244 4.673 ( -6.502 0.000 -2.581) 6.996 4.673 ( -6.502 0.000 2.581) 6.996 4.770 ( -2.571 0.000 -3.974) 4.733 4.770 ( -2.571 0.000 3.974) 4.733 4.890 ( 0.795 0.000 -0.247) 0.832 4.890 ( 0.795 0.000 0.247) 0.832 5.059 ( -3.812 0.000 -1.391) 4.058 5.059 ( -3.812 0.000 1.391) 4.058 5.313 ( 6.892 0.000 -6.366) 9.382 5.313 ( 6.892 0.000 6.366) 9.382 5.342 ( 2.656 0.000 -3.578) 4.456 5.342 ( 2.656 0.000 3.578) 4.456 5.690 ( 9.193 0.000 -4.339) 10.166 5.690 ( 9.193 0.000 4.339) 10.166 6.038 ( -5.090 0.000 -8.774) 10.143 6.038 ( -5.090 0.000 8.774) 10.143 6.739 ( 3.256 0.000 -2.041) 3.843 6.739 ( 3.256 0.000 2.041) 3.843 6.908 ( -3.584 0.000 -5.392) 6.474 6.908 ( -3.584 0.000 5.392) 6.474 6.978 ( 1.108 0.000 -7.405) 7.487 6.978 ( 1.108 0.000 7.405) 7.487 7.061 ( -1.021 0.000 -1.150) 1.537 7.061 ( -1.021 0.000 1.150) 1.537 7.696 ( 0.575 0.000 -5.202) 5.234 7.696 ( 0.575 0.000 5.202) 5.234 7.835 ( -5.282 0.000 -6.840) 8.642 7.835 ( -5.282 0.000 6.840) 8.642 7.953 ( 0.512 0.000 -4.191) 4.222 7.953 ( 0.512 0.000 4.191) 4.222 8.060 ( 1.296 0.000 -5.542) 5.691 8.060 ( 1.296 0.000 5.542) 5.691 8.076 ( -2.341 0.000 -4.727) 5.275 8.076 ( -2.341 0.000 4.727) 5.275 8.132 ( -2.113 0.000 -3.396) 4.000 8.132 ( -2.113 0.000 3.396) 4.000 8.209 ( 6.760 0.000 -1.179) 6.862 8.209 ( 6.760 0.000 1.179) 6.862 8.398 ( 1.815 0.000 -4.753) 5.088 8.398 ( 1.815 0.000 4.753) 5.088 8.681 ( 0.675 0.000 -1.603) 1.740 8.681 ( 0.675 0.000 1.603) 1.740 8.744 ( 0.963 0.000 -0.400) 1.043 8.744 ( 0.963 0.000 0.400) 1.043 8.873 ( -1.122 0.000 -6.511) 6.607 8.873 ( -1.122 0.000 6.511) 6.607 8.908 ( -0.772 0.000 -2.109) 2.246 8.908 ( -0.772 0.000 2.109) 2.246 9.118 ( 0.239 0.000 -1.896) 1.911 9.118 ( 0.239 0.000 1.896) 1.911 9.238 ( -4.109 0.000 -1.037) 4.238 9.238 ( -4.109 0.000 1.037) 4.238 9.428 ( 2.763 0.000 -2.511) 3.734 9.428 ( 2.763 0.000 2.511) 3.734 9.474 ( -1.468 0.000 -2.458) 2.863 9.474 ( -1.468 0.000 2.458) 2.863 9.687 ( -2.761 0.000 -5.842) 6.461 9.687 ( -2.761 0.000 5.842) 6.461 9.814 ( -5.552 0.000 -0.655) 5.590 9.814 ( -5.552 0.000 0.655) 5.590 10.063 ( 5.330 0.000 -5.923) 7.968 10.063 ( 5.330 0.000 5.923) 7.968 10.213 ( -2.912 0.000 -7.418) 7.969 10.213 ( -2.912 0.000 7.418) 7.969 10.552 ( 6.517 0.000 -2.111) 6.850 10.552 ( 6.517 0.000 2.111) 6.850 10.685 ( 1.868 0.000 -3.961) 4.379 10.685 ( 1.868 0.000 3.961) 4.379 10.850 ( -3.277 0.000 -4.778) 5.794 10.850 ( -3.277 0.000 4.778) 5.794 10.929 ( -3.890 0.000 -1.488) 4.164 10.929 ( -3.890 0.000 1.488) 4.164 11.132 ( 6.238 0.000 -7.187) 9.516 11.132 ( 6.238 0.000 7.187) 9.516 11.219 ( 2.560 0.000 -1.015) 2.754 11.219 ( 2.560 0.000 1.015) 2.754 11.878 ( 9.038 0.000 -11.237) 14.421 11.878 ( 9.038 0.000 11.237) 14.421 12.155 ( 9.223 0.000 -3.650) 9.919 12.155 ( 9.223 0.000 3.650) 9.919 12.823 ( -5.027 0.000 -8.083) 9.518 12.823 ( -5.027 0.000 8.083) 9.518 12.980 ( -10.887 0.000 -6.172) 12.515 12.980 ( -10.887 0.000 6.172) 12.515 13.509 ( 1.063 0.000 -6.608) 6.693 13.509 ( 1.063 0.000 6.608) 6.693 13.565 ( -2.926 0.000 -12.127) 12.475 13.565 ( -2.926 0.000 12.127) 12.475 13.891 ( -1.805 0.000 -6.938) 7.169 13.891 ( -1.805 0.000 6.938) 7.169 14.037 ( -5.577 0.000 -3.429) 6.546 14.037 ( -5.577 0.000 3.429) 6.546 15.133 ( -0.090 0.000 -0.531) 0.539 15.133 ( -0.090 0.000 0.531) 0.539 15.198 ( -3.029 0.000 -2.196) 3.741 15.198 ( -3.029 0.000 2.196) 3.741 15.374 ( 3.608 0.000 -5.699) 6.745 15.374 ( 3.608 0.000 5.699) 6.745 15.500 ( -3.328 0.000 -1.520) 3.659 15.500 ( -3.328 0.000 1.520) 3.659 15.773 ( 5.004 0.000 -1.975) 5.380 15.773 ( 5.004 0.000 1.975) 5.380 15.883 ( -0.302 0.000 -1.062) 1.104 15.883 ( -0.302 0.000 1.062) 1.104 16.236 ( 1.762 0.000 -7.015) 7.233 16.236 ( 1.762 0.000 7.015) 7.233 16.416 ( -6.516 0.000 -3.267) 7.289 16.416 ( -6.516 0.000 3.267) 7.289 17.289 ( 12.539 0.000 -1.919) 12.685 17.289 ( 12.539 0.000 1.919) 12.685 17.468 ( 3.743 0.000 -7.188) 8.104 17.468 ( 3.743 0.000 7.188) 8.104 17.536 ( -0.151 0.000 -2.126) 2.131 17.536 ( -0.151 0.000 2.126) 2.131 17.733 ( -4.160 0.000 -0.197) 4.165 17.733 ( -4.160 0.000 0.197) 4.165 18.027 ( 5.646 0.000 -4.623) 7.297 18.027 ( 5.646 0.000 4.623) 7.297 18.359 ( -6.594 0.000 -3.383) 7.411 18.359 ( -6.594 0.000 3.383) 7.411 18.561 ( 5.859 0.000 -8.572) 10.383 18.561 ( 5.859 0.000 8.572) 10.383 18.954 ( -10.521 0.000 -3.635) 11.131 18.954 ( -10.521 0.000 3.635) 11.131 ======================= Grid point 94 (33/45) ======================= q-point: (-0.50 0.00 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -15.893 0.000 -15.249) 22.025 1.333 ( 15.893 0.000 -15.249) 22.025 1.333 ( -15.893 0.000 15.249) 22.025 1.333 ( 15.893 0.000 15.249) 22.025 1.507 ( -15.980 0.000 -18.491) 24.439 1.507 ( 15.980 0.000 -18.491) 24.439 1.507 ( -15.980 0.000 18.491) 24.439 1.507 ( 15.980 0.000 18.491) 24.439 2.326 ( -4.094 0.000 -4.881) 6.371 2.326 ( 4.094 0.000 -4.881) 6.371 2.326 ( -4.094 0.000 4.881) 6.371 2.326 ( 4.094 0.000 4.881) 6.371 2.544 ( -12.958 0.000 -12.154) 17.766 2.544 ( 12.958 0.000 -12.154) 17.766 2.544 ( -12.958 0.000 12.154) 17.766 2.544 ( 12.958 0.000 12.154) 17.766 2.666 ( -5.067 0.000 -3.602) 6.217 2.666 ( 5.067 0.000 -3.602) 6.217 2.666 ( -5.067 0.000 3.602) 6.217 2.666 ( 5.067 0.000 3.602) 6.217 2.831 ( -2.162 0.000 -4.990) 5.438 2.831 ( 2.162 0.000 -4.990) 5.438 2.831 ( -2.162 0.000 4.990) 5.438 2.831 ( 2.162 0.000 4.990) 5.438 3.002 ( -8.849 0.000 -1.761) 9.022 3.002 ( -8.849 0.000 1.761) 9.022 3.002 ( 8.849 0.000 -1.761) 9.022 3.002 ( 8.849 0.000 1.761) 9.022 3.105 ( -1.102 0.000 -2.822) 3.029 3.105 ( 1.102 0.000 -2.822) 3.029 3.105 ( -1.102 0.000 2.822) 3.029 3.105 ( 1.102 0.000 2.822) 3.029 3.355 ( -2.496 0.000 -8.010) 8.390 3.355 ( 2.496 0.000 -8.010) 8.390 3.355 ( -2.496 0.000 8.010) 8.390 3.355 ( 2.496 0.000 8.010) 8.390 3.420 ( -5.982 0.000 -4.339) 7.390 3.420 ( 5.982 0.000 -4.339) 7.390 3.420 ( -5.982 0.000 4.339) 7.390 3.420 ( 5.982 0.000 4.339) 7.390 3.595 ( -1.732 0.000 -3.097) 3.549 3.595 ( 1.732 0.000 -3.097) 3.549 3.595 ( -1.732 0.000 3.097) 3.549 3.595 ( 1.732 0.000 3.097) 3.549 3.764 ( -3.634 0.000 -2.411) 4.362 3.764 ( 3.634 0.000 -2.411) 4.362 3.764 ( -3.634 0.000 2.411) 4.362 3.764 ( 3.634 0.000 2.411) 4.362 3.927 ( -4.540 0.000 -5.121) 6.844 3.927 ( 4.540 0.000 -5.121) 6.844 3.927 ( -4.540 0.000 5.121) 6.844 3.927 ( 4.540 0.000 5.121) 6.844 4.413 ( -10.070 0.000 -0.230) 10.072 4.413 ( -10.070 0.000 0.230) 10.072 4.413 ( 10.070 0.000 -0.230) 10.072 4.413 ( 10.070 0.000 0.230) 10.072 4.672 ( -5.798 0.000 -6.165) 8.463 4.672 ( 5.798 0.000 -6.165) 8.463 4.672 ( -5.798 0.000 6.165) 8.463 4.672 ( 5.798 0.000 6.165) 8.463 4.966 ( -4.806 0.000 -0.034) 4.806 4.966 ( -4.806 0.000 0.034) 4.806 4.966 ( 4.806 0.000 -0.034) 4.806 4.966 ( 4.806 0.000 0.034) 4.806 5.380 ( -0.045 0.000 -1.472) 1.473 5.380 ( 0.045 0.000 -1.472) 1.473 5.380 ( -0.045 0.000 1.472) 1.473 5.380 ( 0.045 0.000 1.472) 1.473 5.889 ( -8.877 0.000 -7.146) 11.396 5.889 ( 8.877 0.000 -7.146) 11.396 5.889 ( -8.877 0.000 7.146) 11.396 5.889 ( 8.877 0.000 7.146) 11.396 6.822 ( -4.335 0.000 -1.188) 4.495 6.822 ( -4.335 0.000 1.188) 4.495 6.822 ( 4.335 0.000 -1.188) 4.495 6.822 ( 4.335 0.000 1.188) 4.495 7.019 ( -2.499 0.000 -3.956) 4.679 7.019 ( 2.499 0.000 -3.956) 4.679 7.019 ( -2.499 0.000 3.956) 4.679 7.019 ( 2.499 0.000 3.956) 4.679 7.737 ( -3.535 0.000 -7.027) 7.866 7.737 ( 3.535 0.000 -7.027) 7.866 7.737 ( -3.535 0.000 7.027) 7.866 7.737 ( 3.535 0.000 7.027) 7.866 7.994 ( -3.523 0.000 -4.950) 6.076 7.994 ( 3.523 0.000 -4.950) 6.076 7.994 ( -3.523 0.000 4.950) 6.076 7.994 ( 3.523 0.000 4.950) 6.076 8.096 ( -1.599 0.000 -3.453) 3.805 8.096 ( 1.599 0.000 -3.453) 3.805 8.096 ( -1.599 0.000 3.453) 3.805 8.096 ( 1.599 0.000 3.453) 3.805 8.366 ( -5.465 0.000 -2.421) 5.977 8.366 ( 5.465 0.000 -2.421) 5.977 8.366 ( -5.465 0.000 2.421) 5.977 8.366 ( 5.465 0.000 2.421) 5.977 8.721 ( -2.719 0.000 -0.835) 2.844 8.721 ( -2.719 0.000 0.835) 2.844 8.721 ( 2.719 0.000 -0.835) 2.844 8.721 ( 2.719 0.000 0.835) 2.844 8.879 ( -1.569 0.000 -3.389) 3.735 8.879 ( 1.569 0.000 -3.389) 3.735 8.879 ( -1.569 0.000 3.389) 3.735 8.879 ( 1.569 0.000 3.389) 3.735 9.146 ( -3.064 0.000 -0.901) 3.194 9.146 ( -3.064 0.000 0.901) 3.194 9.146 ( 3.064 0.000 -0.901) 3.194 9.146 ( 3.064 0.000 0.901) 3.194 9.462 ( -1.121 0.000 -3.476) 3.652 9.462 ( 1.121 0.000 -3.476) 3.652 9.462 ( -1.121 0.000 3.476) 3.652 9.462 ( 1.121 0.000 3.476) 3.652 9.700 ( -4.190 0.000 -4.930) 6.470 9.700 ( 4.190 0.000 -4.930) 6.470 9.700 ( -4.190 0.000 4.930) 6.470 9.700 ( 4.190 0.000 4.930) 6.470 10.150 ( -3.251 0.000 -6.160) 6.965 10.150 ( 3.251 0.000 -6.160) 6.965 10.150 ( -3.251 0.000 6.160) 6.965 10.150 ( 3.251 0.000 6.160) 6.965 10.690 ( -4.088 0.000 -5.527) 6.874 10.690 ( 4.088 0.000 -5.527) 6.874 10.690 ( -4.088 0.000 5.527) 6.874 10.690 ( 4.088 0.000 5.527) 6.874 10.827 ( -3.579 0.000 -0.563) 3.623 10.827 ( -3.579 0.000 0.563) 3.623 10.827 ( 3.579 0.000 -0.563) 3.623 10.827 ( 3.579 0.000 0.563) 3.623 11.227 ( -2.138 0.000 -3.439) 4.049 11.227 ( 2.138 0.000 -3.439) 4.049 11.227 ( -2.138 0.000 3.439) 4.049 11.227 ( 2.138 0.000 3.439) 4.049 12.148 ( -12.255 0.000 -6.575) 13.908 12.148 ( 12.255 0.000 -6.575) 13.908 12.148 ( -12.255 0.000 6.575) 13.908 12.148 ( 12.255 0.000 6.575) 13.908 12.793 ( -6.731 0.000 -5.765) 8.862 12.793 ( 6.731 0.000 -5.765) 8.862 12.793 ( -6.731 0.000 5.765) 8.862 12.793 ( 6.731 0.000 5.765) 8.862 13.509 ( -1.643 0.000 -12.353) 12.462 13.509 ( 1.643 0.000 -12.353) 12.462 13.509 ( -1.643 0.000 12.353) 12.462 13.509 ( 1.643 0.000 12.353) 12.462 13.933 ( -4.477 0.000 -4.005) 6.007 13.933 ( 4.477 0.000 -4.005) 6.007 13.933 ( -4.477 0.000 4.005) 6.007 13.933 ( 4.477 0.000 4.005) 6.007 15.146 ( -1.604 0.000 -1.199) 2.003 15.146 ( 1.604 0.000 -1.199) 2.003 15.146 ( -1.604 0.000 1.199) 2.003 15.146 ( 1.604 0.000 1.199) 2.003 15.442 ( -2.831 0.000 -4.987) 5.735 15.442 ( 2.831 0.000 -4.987) 5.735 15.442 ( -2.831 0.000 4.987) 5.735 15.442 ( 2.831 0.000 4.987) 5.735 15.853 ( -2.690 0.000 -1.202) 2.947 15.853 ( 2.690 0.000 -1.202) 2.947 15.853 ( -2.690 0.000 1.202) 2.947 15.853 ( 2.690 0.000 1.202) 2.947 16.301 ( -4.430 0.000 -6.384) 7.771 16.301 ( 4.430 0.000 -6.384) 7.771 16.301 ( -4.430 0.000 6.384) 7.771 16.301 ( 4.430 0.000 6.384) 7.771 17.464 ( -4.305 0.000 -3.188) 5.357 17.464 ( 4.305 0.000 -3.188) 5.357 17.464 ( -4.305 0.000 3.188) 5.357 17.464 ( 4.305 0.000 3.188) 5.357 17.617 ( -6.551 0.000 -1.294) 6.678 17.617 ( -6.551 0.000 1.294) 6.678 17.617 ( 6.551 0.000 -1.294) 6.678 17.617 ( 6.551 0.000 1.294) 6.678 18.190 ( -8.992 0.000 -5.565) 10.575 18.190 ( 8.992 0.000 -5.565) 10.575 18.190 ( -8.992 0.000 5.565) 10.575 18.190 ( 8.992 0.000 5.565) 10.575 18.727 ( -10.034 0.000 -7.678) 12.635 18.727 ( 10.034 0.000 -7.678) 12.635 18.727 ( -10.034 0.000 7.678) 12.635 18.727 ( 10.034 0.000 7.678) 12.635 ======================= Grid point 100 (34/45) ======================= q-point: ( 0.00 0.12 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 8.618 -18.629) 20.526 1.022 ( 0.000 8.618 18.629) 20.526 1.103 ( 0.000 11.943 -19.361) 22.749 1.103 ( 0.000 11.943 19.361) 22.749 1.976 ( 0.000 5.283 -20.543) 21.212 1.976 ( 0.000 5.283 20.543) 21.212 2.049 ( 0.000 3.567 -3.693) 5.134 2.049 ( 0.000 3.567 3.693) 5.134 2.094 ( 0.000 0.892 -1.037) 1.368 2.094 ( 0.000 0.892 1.037) 1.368 2.168 ( 0.000 0.514 -4.505) 4.534 2.168 ( 0.000 0.514 4.505) 4.534 2.184 ( 0.000 1.011 -18.033) 18.061 2.184 ( 0.000 1.011 18.033) 18.061 2.496 ( 0.000 -3.708 -5.108) 6.312 2.496 ( 0.000 -3.708 5.108) 6.312 2.515 ( 0.000 -3.058 -5.523) 6.313 2.515 ( 0.000 -3.058 5.523) 6.313 2.696 ( 0.000 1.352 -8.704) 8.808 2.696 ( 0.000 1.352 8.704) 8.808 2.746 ( 0.000 -0.393 -2.790) 2.818 2.746 ( 0.000 -0.393 2.790) 2.818 2.904 ( 0.000 -3.422 -5.372) 6.369 2.904 ( 0.000 -3.422 5.372) 6.369 2.919 ( 0.000 -0.241 -6.260) 6.264 2.919 ( 0.000 -0.241 6.260) 6.264 3.007 ( 0.000 -1.960 -3.099) 3.667 3.007 ( 0.000 -1.960 3.099) 3.667 3.091 ( 0.000 -2.644 -2.529) 3.658 3.091 ( 0.000 -2.644 2.529) 3.658 3.149 ( 0.000 1.274 -1.880) 2.271 3.149 ( 0.000 1.274 1.880) 2.271 3.337 ( 0.000 -3.543 -6.128) 7.078 3.337 ( 0.000 -3.543 6.128) 7.078 3.428 ( 0.000 -3.084 -6.113) 6.847 3.428 ( 0.000 -3.084 6.113) 6.847 3.492 ( 0.000 -2.341 -5.541) 6.015 3.492 ( 0.000 -2.341 5.541) 6.015 3.577 ( 0.000 -1.451 -1.251) 1.916 3.577 ( 0.000 -1.451 1.251) 1.916 3.579 ( 0.000 0.910 -1.389) 1.660 3.579 ( 0.000 0.910 1.389) 1.660 3.666 ( 0.000 -0.096 -1.815) 1.818 3.666 ( 0.000 -0.096 1.815) 1.818 3.786 ( 0.000 2.439 -1.739) 2.995 3.786 ( 0.000 2.439 1.739) 2.995 3.798 ( 0.000 0.886 -3.655) 3.761 3.798 ( 0.000 0.886 3.655) 3.761 4.005 ( 0.000 0.202 -1.221) 1.237 4.005 ( 0.000 0.202 1.221) 1.237 4.099 ( 0.000 1.135 -5.260) 5.382 4.099 ( 0.000 1.135 5.260) 5.382 4.147 ( 0.000 0.940 -7.489) 7.548 4.147 ( 0.000 0.940 7.489) 7.548 4.513 ( 0.000 -1.572 -6.977) 7.152 4.513 ( 0.000 -1.572 6.977) 7.152 4.661 ( 0.000 -5.223 -5.658) 7.700 4.661 ( 0.000 -5.223 5.658) 7.700 4.698 ( 0.000 -4.278 -2.925) 5.182 4.698 ( 0.000 -4.278 2.925) 5.182 5.026 ( 0.000 4.334 -3.648) 5.665 5.026 ( 0.000 4.334 3.648) 5.665 5.107 ( 0.000 -2.467 -3.779) 4.513 5.107 ( 0.000 -2.467 3.779) 4.513 5.174 ( 0.000 2.556 -3.317) 4.188 5.174 ( 0.000 2.556 3.317) 4.188 5.266 ( 0.000 -3.360 -5.723) 6.636 5.266 ( 0.000 -3.360 5.723) 6.636 5.583 ( 0.000 0.948 -2.724) 2.885 5.583 ( 0.000 0.948 2.724) 2.885 6.028 ( 0.000 -5.761 -7.330) 9.324 6.028 ( 0.000 -5.761 7.330) 9.324 6.837 ( 0.000 12.415 -1.180) 12.471 6.837 ( 0.000 12.415 1.180) 12.471 6.992 ( 0.000 6.054 -5.355) 8.083 6.992 ( 0.000 6.054 5.355) 8.083 7.099 ( 0.000 3.432 -4.445) 5.615 7.099 ( 0.000 3.432 4.445) 5.615 7.107 ( 0.000 8.969 -7.211) 11.508 7.107 ( 0.000 8.969 7.211) 11.508 7.699 ( 0.000 0.475 -3.676) 3.707 7.699 ( 0.000 0.475 3.676) 3.707 7.896 ( 0.000 -1.231 -1.438) 1.893 7.896 ( 0.000 -1.231 1.438) 1.893 7.942 ( 0.000 -1.614 -7.076) 7.258 7.942 ( 0.000 -1.614 7.076) 7.258 8.006 ( 0.000 -4.982 -0.210) 4.987 8.006 ( 0.000 -4.982 0.210) 4.987 8.030 ( 0.000 -1.878 -9.435) 9.620 8.030 ( 0.000 -1.878 9.435) 9.620 8.086 ( 0.000 -0.090 -1.665) 1.667 8.086 ( 0.000 -0.090 1.665) 1.667 8.216 ( 0.000 -1.466 -8.049) 8.182 8.216 ( 0.000 -1.466 8.049) 8.182 8.372 ( 0.000 1.406 -3.174) 3.471 8.372 ( 0.000 1.406 3.174) 3.471 8.683 ( 0.000 0.179 -0.991) 1.007 8.683 ( 0.000 0.179 0.991) 1.007 8.777 ( 0.000 1.372 -3.598) 3.850 8.777 ( 0.000 1.372 3.598) 3.850 8.907 ( 0.000 -0.741 -2.072) 2.200 8.907 ( 0.000 -0.741 2.072) 2.200 9.015 ( 0.000 8.412 -5.638) 10.126 9.015 ( 0.000 8.412 5.638) 10.126 9.243 ( 0.000 -2.488 -1.146) 2.739 9.243 ( 0.000 -2.488 1.146) 2.739 9.243 ( 0.000 15.457 -6.498) 16.767 9.243 ( 0.000 15.457 6.498) 16.767 9.373 ( 0.000 -1.888 -1.360) 2.327 9.373 ( 0.000 -1.888 1.360) 2.327 9.500 ( 0.000 -1.255 -6.024) 6.153 9.500 ( 0.000 -1.255 6.024) 6.153 9.674 ( 0.000 -4.937 -1.664) 5.210 9.674 ( 0.000 -4.937 1.664) 5.210 9.889 ( 0.000 0.132 -2.762) 2.765 9.889 ( 0.000 0.132 2.762) 2.765 9.984 ( 0.000 0.843 -8.446) 8.488 9.984 ( 0.000 0.843 8.446) 8.488 10.194 ( 0.000 -4.629 -9.057) 10.172 10.194 ( 0.000 -4.629 9.057) 10.172 10.515 ( 0.000 1.793 -1.998) 2.685 10.515 ( 0.000 1.793 1.998) 2.685 10.643 ( 0.000 -1.730 -1.237) 2.127 10.643 ( 0.000 -1.730 1.237) 2.127 10.869 ( 0.000 -3.407 -2.282) 4.100 10.869 ( 0.000 -3.407 2.282) 4.100 10.916 ( 0.000 -1.115 -6.719) 6.811 10.916 ( 0.000 -1.115 6.719) 6.811 11.079 ( 0.000 0.747 -4.646) 4.706 11.079 ( 0.000 0.747 4.646) 4.706 11.197 ( 0.000 2.295 -3.406) 4.107 11.197 ( 0.000 2.295 3.406) 4.107 11.856 ( 0.000 5.442 -9.286) 10.764 11.856 ( 0.000 5.442 9.286) 10.764 12.061 ( 0.000 4.140 -5.555) 6.928 12.061 ( 0.000 4.140 5.555) 6.928 12.863 ( 0.000 0.173 -4.175) 4.178 12.863 ( 0.000 0.173 4.175) 4.178 13.104 ( 0.000 -5.171 -22.542) 23.127 13.104 ( 0.000 -5.171 22.542) 23.127 13.444 ( 0.000 -0.230 -7.206) 7.210 13.444 ( 0.000 -0.230 7.206) 7.210 13.585 ( 0.000 -1.678 -11.948) 12.065 13.585 ( 0.000 -1.678 11.948) 12.065 13.934 ( 0.000 -0.104 -9.368) 9.368 13.934 ( 0.000 -0.104 9.368) 9.368 14.131 ( 0.000 0.207 -3.833) 3.838 14.131 ( 0.000 0.207 3.833) 3.838 15.157 ( 0.000 2.014 -0.626) 2.109 15.157 ( 0.000 2.014 0.626) 2.109 15.260 ( 0.000 1.410 -4.700) 4.907 15.260 ( 0.000 1.410 4.700) 4.907 15.339 ( 0.000 1.986 -4.846) 5.237 15.339 ( 0.000 1.986 4.846) 5.237 15.591 ( 0.000 1.852 -4.029) 4.434 15.591 ( 0.000 1.852 4.029) 4.434 15.725 ( 0.000 3.588 -1.482) 3.883 15.725 ( 0.000 3.588 1.482) 3.883 15.868 ( 0.000 -0.474 -0.780) 0.913 15.868 ( 0.000 -0.474 0.780) 0.913 16.242 ( 0.000 1.949 -6.297) 6.592 16.242 ( 0.000 1.949 6.297) 6.592 16.386 ( 0.000 -12.306 -3.148) 12.703 16.386 ( 0.000 -12.306 3.148) 12.703 17.098 ( 0.000 0.755 -1.822) 1.972 17.098 ( 0.000 0.755 1.822) 1.972 17.405 ( 0.000 -1.451 -7.390) 7.531 17.405 ( 0.000 -1.451 7.390) 7.531 17.541 ( 0.000 0.003 -3.464) 3.464 17.541 ( 0.000 0.003 3.464) 3.464 17.719 ( 0.000 -5.532 -2.858) 6.227 17.719 ( 0.000 -5.532 2.858) 6.227 17.977 ( 0.000 0.808 -2.780) 2.895 17.977 ( 0.000 0.808 2.780) 2.895 18.401 ( 0.000 -4.656 -5.948) 7.554 18.401 ( 0.000 -4.656 5.948) 7.554 18.443 ( 0.000 -3.558 -12.172) 12.681 18.443 ( 0.000 -3.558 12.172) 12.681 18.910 ( 0.000 -14.456 -5.620) 15.510 18.910 ( 0.000 -14.456 5.620) 15.510 ======================= Grid point 102 (35/45) ======================= q-point: ( 0.25 0.12 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 8.670 10.090 -12.958) 18.571 1.177 ( 8.670 10.090 12.958) 18.571 1.240 ( 15.496 8.718 -12.116) 21.515 1.240 ( 15.496 8.718 12.116) 21.515 1.743 ( -16.670 3.944 -7.852) 18.844 1.743 ( -16.670 3.944 7.852) 18.844 1.854 ( -11.662 3.795 -15.233) 19.556 1.854 ( -11.662 3.795 15.233) 19.556 2.163 ( 9.461 5.028 -14.854) 18.315 2.163 ( 9.461 5.028 14.854) 18.315 2.294 ( 5.945 -1.160 -4.082) 7.304 2.294 ( 5.945 -1.160 4.082) 7.304 2.349 ( 6.390 1.495 -4.393) 7.897 2.349 ( 6.390 1.495 4.393) 7.897 2.518 ( 3.091 -4.312 -3.497) 6.354 2.518 ( 3.091 -4.312 3.497) 6.354 2.605 ( 2.479 -3.742 -3.713) 5.825 2.605 ( 2.479 -3.742 3.713) 5.825 2.661 ( 3.420 -2.538 -0.914) 4.356 2.661 ( 3.420 -2.538 0.914) 4.356 2.798 ( 1.732 -1.882 -2.718) 3.732 2.798 ( 1.732 -1.882 2.718) 3.732 2.877 ( -3.953 -0.491 -2.902) 4.929 2.877 ( -3.953 -0.491 2.902) 4.929 2.942 ( -3.110 -2.911 -3.352) 5.420 2.942 ( -3.110 -2.911 3.352) 5.420 3.016 ( 3.200 -0.462 -1.473) 3.553 3.016 ( 3.200 -0.462 1.473) 3.553 3.065 ( -0.224 -1.605 -1.573) 2.258 3.065 ( -0.224 -1.605 1.573) 2.258 3.167 ( 1.196 1.077 -3.600) 3.944 3.167 ( 1.196 1.077 3.600) 3.944 3.290 ( -3.001 -3.261 -0.654) 4.480 3.290 ( -3.001 -3.261 0.654) 4.480 3.397 ( -5.014 -3.679 -4.159) 7.482 3.397 ( -5.014 -3.679 4.159) 7.482 3.461 ( -1.339 1.086 -2.570) 3.095 3.461 ( -1.339 1.086 2.570) 3.095 3.517 ( 1.036 3.827 -1.257) 4.159 3.517 ( 1.036 3.827 1.257) 4.159 3.639 ( -1.216 -1.386 -1.873) 2.628 3.639 ( -1.216 -1.386 1.873) 2.628 3.649 ( 0.741 0.923 -0.767) 1.411 3.649 ( 0.741 0.923 0.767) 1.411 3.736 ( -4.554 3.664 -3.390) 6.757 3.736 ( -4.554 3.664 3.390) 6.757 3.812 ( -1.308 -0.566 -1.807) 2.302 3.812 ( -1.308 -0.566 1.807) 2.302 3.914 ( -2.398 3.056 -3.626) 5.314 3.914 ( -2.398 3.056 3.626) 5.314 4.051 ( -5.563 -2.007 -2.428) 6.393 4.051 ( -5.563 -2.007 2.428) 6.393 4.153 ( 1.320 -5.315 -6.336) 8.375 4.153 ( 1.320 -5.315 6.336) 8.375 4.457 ( -5.309 -6.882 -3.513) 9.374 4.457 ( -5.309 -6.882 3.513) 9.374 4.609 ( 3.923 0.972 -2.697) 4.858 4.609 ( 3.923 0.972 2.697) 4.858 4.827 ( 2.008 2.826 -4.349) 5.562 4.827 ( 2.008 2.826 4.349) 5.562 4.976 ( -1.183 5.692 -2.127) 6.191 4.976 ( -1.183 5.692 2.127) 6.191 5.104 ( -2.859 2.810 -2.832) 4.908 5.104 ( -2.859 2.810 2.832) 4.908 5.231 ( 5.390 -6.681 -2.461) 8.930 5.231 ( 5.390 -6.681 2.461) 8.930 5.301 ( 1.893 -3.749 -2.616) 4.948 5.301 ( 1.893 -3.749 2.616) 4.948 5.677 ( 7.864 -0.806 -2.878) 8.413 5.677 ( 7.864 -0.806 2.878) 8.413 5.980 ( -4.496 -5.187 -6.694) 9.588 5.980 ( -4.496 -5.187 6.694) 9.588 6.858 ( 1.908 10.716 -1.082) 10.938 6.858 ( 1.908 10.716 1.082) 10.938 6.968 ( -2.492 5.946 -5.629) 8.558 6.968 ( -2.492 5.946 5.629) 8.558 7.073 ( 0.305 7.184 -6.158) 9.467 7.073 ( 0.305 7.184 6.158) 9.467 7.131 ( 0.002 7.090 -2.478) 7.510 7.131 ( 0.002 7.090 2.478) 7.510 7.703 ( 0.659 0.587 -4.816) 4.896 7.703 ( 0.659 0.587 4.816) 4.896 7.835 ( -4.859 -0.010 -6.453) 8.078 7.835 ( -4.859 -0.010 6.453) 8.078 7.933 ( 0.851 -1.970 -3.832) 4.392 7.933 ( 0.851 -1.970 3.832) 4.392 8.028 ( -0.272 -3.616 -1.999) 4.141 8.028 ( -0.272 -3.616 1.999) 4.141 8.051 ( 1.540 -0.906 -4.510) 4.851 8.051 ( 1.540 -0.906 4.510) 4.851 8.135 ( -1.295 -0.261 -0.681) 1.486 8.135 ( -1.295 -0.261 0.681) 1.486 8.197 ( 5.452 -1.657 -1.475) 5.886 8.197 ( 5.452 -1.657 1.475) 5.886 8.403 ( 0.938 0.164 -4.187) 4.294 8.403 ( 0.938 0.164 4.187) 4.294 8.693 ( 1.020 0.371 -1.541) 1.885 8.693 ( 1.020 0.371 1.541) 1.885 8.773 ( -0.654 1.246 -2.092) 2.522 8.773 ( -0.654 1.246 2.092) 2.522 8.890 ( -1.050 -0.520 -0.964) 1.517 8.890 ( -1.050 -0.520 0.964) 1.517 8.979 ( -2.925 7.710 -4.788) 9.535 8.979 ( -2.925 7.710 4.788) 9.535 9.190 ( -1.779 6.921 -2.412) 7.542 9.190 ( -1.779 6.921 2.412) 7.542 9.248 ( -2.788 2.575 -1.212) 3.984 9.248 ( -2.788 2.575 1.212) 3.984 9.399 ( 0.231 -3.587 -0.216) 3.601 9.399 ( 0.231 -3.587 0.216) 3.601 9.434 ( -1.163 -2.976 -2.917) 4.326 9.434 ( -1.163 -2.976 2.917) 4.326 9.674 ( -0.647 -0.860 -7.028) 7.110 9.674 ( -0.647 -0.860 7.028) 7.110 9.811 ( -5.504 -0.170 -2.419) 6.015 9.811 ( -5.504 -0.170 2.419) 6.015 10.060 ( 4.657 -0.355 -7.002) 8.417 10.060 ( 4.657 -0.355 7.002) 8.417 10.177 ( -1.608 -3.198 -7.747) 8.534 10.177 ( -1.608 -3.198 7.747) 8.534 10.547 ( 4.387 -0.339 -1.748) 4.734 10.547 ( 4.387 -0.339 1.748) 4.734 10.687 ( 2.333 -0.133 -3.513) 4.219 10.687 ( 2.333 -0.133 3.513) 4.219 10.807 ( -2.308 -3.216 -3.474) 5.266 10.807 ( -2.308 -3.216 3.474) 5.266 10.954 ( -2.645 1.404 -2.460) 3.876 10.954 ( -2.645 1.404 2.460) 3.876 11.124 ( 5.701 -0.738 -6.724) 8.846 11.124 ( 5.701 -0.738 6.724) 8.846 11.223 ( 1.290 0.315 -3.062) 3.337 11.223 ( 1.290 0.315 3.062) 3.337 11.924 ( 8.478 4.664 -9.517) 13.572 11.924 ( 8.478 4.664 9.517) 13.572 12.195 ( 8.867 3.833 -4.312) 10.579 12.195 ( 8.867 3.833 4.312) 10.579 12.829 ( -5.493 0.312 -8.379) 10.023 12.829 ( -5.493 0.312 8.379) 10.023 12.941 ( -9.442 -3.628 -6.520) 12.034 12.941 ( -9.442 -3.628 6.520) 12.034 13.496 ( 1.179 -1.205 -3.605) 3.979 13.496 ( 1.179 -1.205 3.605) 3.979 13.559 ( -2.390 -0.615 -8.499) 8.850 13.559 ( -2.390 -0.615 8.499) 8.850 13.884 ( -2.362 -0.576 -6.854) 7.272 13.884 ( -2.362 -0.576 6.854) 7.272 14.034 ( -6.182 -0.500 -3.436) 7.090 14.034 ( -6.182 -0.500 3.436) 7.090 15.154 ( -0.056 2.062 -1.193) 2.383 15.154 ( -0.056 2.062 1.193) 2.383 15.217 ( -2.842 1.772 -2.897) 4.428 15.217 ( -2.842 1.772 2.897) 4.428 15.396 ( 3.753 2.063 -5.358) 6.859 15.396 ( 3.753 2.063 5.358) 6.859 15.526 ( -3.193 2.403 -1.471) 4.259 15.526 ( -3.193 2.403 1.471) 4.259 15.809 ( 4.389 2.364 -1.847) 5.316 15.809 ( 4.389 2.364 1.847) 5.316 15.880 ( 0.545 0.742 -0.824) 1.236 15.880 ( 0.545 0.742 0.824) 1.236 16.246 ( 0.679 0.931 -6.558) 6.658 16.246 ( 0.679 0.931 6.558) 6.658 16.337 ( -3.339 -7.537 -1.828) 8.444 16.337 ( -3.339 -7.537 1.828) 8.444 17.268 ( 11.991 -1.908 -1.929) 12.294 17.268 ( 11.991 -1.908 1.929) 12.294 17.446 ( 3.542 -1.886 -7.148) 8.197 17.446 ( 3.542 -1.886 7.148) 8.197 17.531 ( -0.982 -0.439 -2.458) 2.683 17.531 ( -0.982 -0.439 2.458) 2.683 17.678 ( -3.816 -5.143 -2.885) 7.024 17.678 ( -3.816 -5.143 2.885) 7.024 18.022 ( 4.606 -0.267 -3.877) 6.026 18.022 ( 4.606 -0.267 3.877) 6.026 18.321 ( -6.188 -3.610 -3.944) 8.178 18.321 ( -6.188 -3.610 3.944) 8.178 18.509 ( 5.018 -4.880 -9.188) 11.550 18.509 ( 5.018 -4.880 9.188) 11.550 18.820 ( -7.584 -11.537 -7.091) 15.521 18.820 ( -7.584 -11.537 7.091) 15.521 ======================= Grid point 104 (36/45) ======================= q-point: (-0.50 0.12 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -13.883 7.652 -12.771) 20.357 1.414 ( 13.844 7.652 -12.766) 20.327 1.414 ( -13.844 7.652 12.766) 20.327 1.414 ( 13.883 7.652 12.771) 20.357 1.575 ( -14.816 6.576 -17.198) 23.633 1.575 ( 14.815 6.576 -17.198) 23.633 1.575 ( -14.815 6.576 17.198) 23.633 1.575 ( 14.816 6.576 17.198) 23.633 2.326 ( -3.176 -0.085 -5.070) 5.983 2.326 ( 3.132 -0.085 -5.067) 5.957 2.326 ( -3.132 -0.085 5.067) 5.957 2.326 ( 3.176 -0.085 5.070) 5.983 2.529 ( -6.089 -2.004 -7.270) 9.693 2.529 ( 5.854 -2.004 -7.248) 9.530 2.529 ( -5.854 -2.004 7.248) 9.530 2.529 ( 6.089 -2.004 7.270) 9.693 2.654 ( -8.567 -0.396 -7.742) 11.554 2.654 ( 8.526 -0.396 -7.737) 11.520 2.654 ( -8.526 -0.396 7.737) 11.520 2.654 ( 8.567 -0.396 7.742) 11.554 2.773 ( -3.837 -5.470 -7.235) 9.849 2.773 ( 3.829 -5.470 -7.235) 9.845 2.773 ( -3.829 -5.470 7.235) 9.845 2.773 ( 3.837 -5.470 7.235) 9.849 2.991 ( -6.671 -0.981 -1.755) 6.967 2.991 ( -4.111 -0.981 0.114) 4.228 2.991 ( 4.111 -0.981 -0.114) 4.228 2.991 ( 6.671 -0.981 1.755) 6.967 3.113 ( -3.864 0.409 -2.984) 4.900 3.113 ( 3.167 0.409 -2.892) 4.308 3.113 ( -3.167 0.409 2.892) 4.308 3.113 ( 3.864 0.409 2.984) 4.900 3.319 ( -3.008 -2.800 -5.621) 6.963 3.319 ( 2.529 -2.800 -5.595) 6.748 3.319 ( -2.529 -2.800 5.595) 6.748 3.319 ( 3.008 -2.800 5.621) 6.963 3.487 ( -5.216 5.313 -3.689) 8.309 3.487 ( 4.615 5.313 -3.599) 7.904 3.487 ( -4.615 5.313 3.599) 7.904 3.487 ( 5.216 5.313 3.689) 8.309 3.622 ( -2.542 2.562 -3.198) 4.822 3.622 ( 2.540 2.562 -3.198) 4.821 3.622 ( -2.540 2.562 3.198) 4.821 3.622 ( 2.542 2.562 3.198) 4.822 3.743 ( -2.863 -1.754 -2.248) 4.041 3.743 ( -0.755 -1.754 -2.051) 2.802 3.743 ( 0.755 -1.754 2.051) 2.802 3.743 ( 2.863 -1.754 2.248) 4.041 3.927 ( -3.256 0.120 -4.612) 5.647 3.927 ( 3.253 0.120 -4.612) 5.645 3.927 ( -3.253 0.120 4.612) 5.645 3.927 ( 3.256 0.120 4.612) 5.647 4.288 ( -8.980 -9.026 -1.338) 12.802 4.288 ( -8.965 -9.026 1.327) 12.791 4.288 ( 8.965 -9.026 -1.327) 12.791 4.288 ( 8.980 -9.026 1.338) 12.802 4.751 ( -6.585 5.961 -5.765) 10.589 4.751 ( 4.570 5.961 -5.544) 9.335 4.751 ( -4.570 5.961 5.544) 9.335 4.751 ( 6.585 5.961 5.765) 10.589 5.024 ( -4.214 3.969 -2.892) 6.471 5.024 ( 4.122 3.969 -2.877) 6.405 5.024 ( -4.122 3.969 2.877) 6.405 5.024 ( 4.214 3.969 2.892) 6.471 5.310 ( -1.454 -6.219 -0.557) 6.411 5.310 ( 0.120 -6.219 -0.277) 6.226 5.310 ( -0.120 -6.219 0.277) 6.226 5.310 ( 1.454 -6.219 0.557) 6.411 5.849 ( -7.754 -3.483 -5.043) 9.884 5.849 ( 7.682 -3.483 -5.031) 9.821 5.849 ( -7.682 -3.483 5.031) 9.821 5.849 ( 7.754 -3.483 5.043) 9.884 6.908 ( -2.735 7.554 -3.319) 8.692 6.908 ( 2.608 7.554 -3.307) 8.649 6.908 ( -2.608 7.554 3.307) 8.649 6.908 ( 2.735 7.554 3.319) 8.692 7.105 ( -1.457 7.940 -2.995) 8.610 7.105 ( 0.867 7.940 -2.969) 8.521 7.105 ( -0.867 7.940 2.969) 8.521 7.105 ( 1.457 7.940 2.995) 8.610 7.743 ( -3.243 0.533 -7.137) 7.857 7.743 ( 3.101 0.533 -7.130) 7.794 7.743 ( -3.101 0.533 7.130) 7.794 7.743 ( 3.243 0.533 7.137) 7.857 7.978 ( -3.109 -1.396 -4.460) 5.613 7.978 ( 3.077 -1.396 -4.458) 5.594 7.978 ( -3.077 -1.396 4.458) 5.594 7.978 ( 3.109 -1.396 4.460) 5.613 8.091 ( -1.342 -0.858 -3.573) 3.912 8.091 ( 0.898 -0.858 -3.558) 3.768 8.091 ( -0.898 -0.858 3.558) 3.768 8.091 ( 1.342 -0.858 3.573) 3.912 8.353 ( -6.095 -1.397 -2.657) 6.794 8.353 ( 4.395 -1.397 -2.254) 5.133 8.353 ( -4.395 -1.397 2.254) 5.133 8.353 ( 6.095 -1.397 2.657) 6.794 8.732 ( -2.343 0.224 -1.609) 2.851 8.732 ( 0.488 0.224 -1.416) 1.515 8.732 ( -0.488 0.224 1.416) 1.515 8.732 ( 2.343 0.224 1.609) 2.851 8.909 ( -2.135 3.195 -4.829) 6.171 8.909 ( 1.267 3.195 -4.795) 5.899 8.909 ( -1.267 3.195 4.795) 5.899 8.909 ( 2.135 3.195 4.829) 6.171 9.183 ( -1.160 4.002 -1.401) 4.396 9.183 ( 0.437 4.002 -1.354) 4.248 9.183 ( -0.437 4.002 1.354) 4.248 9.183 ( 1.160 4.002 1.401) 4.396 9.419 ( -1.314 -3.983 -2.507) 4.886 9.419 ( 0.886 -3.983 -2.486) 4.778 9.419 ( -0.886 -3.983 2.486) 4.778 9.419 ( 1.314 -3.983 2.507) 4.886 9.703 ( -3.919 0.278 -5.807) 7.012 9.703 ( 3.881 0.278 -5.804) 6.988 9.703 ( -3.881 0.278 5.804) 6.988 9.703 ( 3.919 0.278 5.807) 7.012 10.135 ( -2.381 -1.414 -7.274) 7.783 10.135 ( 2.287 -1.414 -7.270) 7.751 10.135 ( -2.287 -1.414 7.270) 7.751 10.135 ( 2.381 -1.414 7.274) 7.783 10.656 ( -3.893 -2.532 -4.793) 6.674 10.656 ( 2.149 -2.532 -4.669) 5.729 10.656 ( -2.149 -2.532 4.669) 5.729 10.656 ( 3.893 -2.532 4.793) 6.674 10.851 ( -5.487 1.662 -2.477) 6.245 10.851 ( 2.439 1.662 -1.858) 3.488 10.851 ( -2.439 1.662 1.858) 3.488 10.851 ( 5.487 1.662 2.477) 6.245 11.216 ( -2.276 -1.040 -3.202) 4.064 11.216 ( 2.186 -1.040 -3.195) 4.009 11.216 ( -2.186 -1.040 3.195) 4.009 11.216 ( 2.276 -1.040 3.202) 4.064 12.183 ( -11.616 3.471 -6.433) 13.725 12.183 ( 6.978 3.471 -5.639) 9.620 12.183 ( -6.978 3.471 5.639) 9.620 12.183 ( 11.616 3.471 6.433) 13.725 12.784 ( -5.921 -0.938 -5.964) 8.456 12.784 ( 5.637 -0.938 -5.933) 8.238 12.784 ( -5.637 -0.938 5.933) 8.238 12.784 ( 5.921 -0.938 5.964) 8.456 13.504 ( -0.963 -0.551 -12.595) 12.644 13.504 ( 0.861 -0.551 -12.594) 12.636 13.504 ( -0.861 -0.551 12.594) 12.636 13.504 ( 0.963 -0.551 12.595) 12.644 13.920 ( -3.883 -1.230 -5.142) 6.560 13.920 ( 2.528 -1.230 -5.047) 5.777 13.920 ( -2.528 -1.230 5.047) 5.777 13.920 ( 3.883 -1.230 5.142) 6.560 15.168 ( -1.538 2.038 -2.014) 3.252 15.168 ( 1.505 2.038 -2.011) 3.235 15.168 ( -1.505 2.038 2.011) 3.235 15.168 ( 1.538 2.038 2.014) 3.252 15.467 ( -2.750 2.415 -4.920) 6.132 15.467 ( 2.505 2.415 -4.906) 6.014 15.467 ( -2.505 2.415 4.906) 6.014 15.467 ( 2.750 2.415 4.920) 6.132 15.871 ( -1.258 1.529 -1.146) 2.288 15.871 ( 0.233 1.529 -1.069) 1.881 15.871 ( -0.233 1.529 1.069) 1.881 15.871 ( 1.258 1.529 1.146) 2.288 16.277 ( -2.262 -2.160 -6.214) 6.957 16.277 ( 2.256 -2.160 -6.214) 6.955 16.277 ( -2.256 -2.160 6.214) 6.955 16.277 ( 2.262 -2.160 6.214) 6.957 17.455 ( -4.801 -1.061 -2.779) 5.648 17.455 ( 4.107 -1.061 -2.653) 5.003 17.455 ( -4.107 -1.061 2.653) 5.003 17.455 ( 4.801 -1.061 2.779) 5.648 17.571 ( -5.746 -4.220 -3.367) 7.884 17.571 ( 5.558 -4.220 -3.332) 7.733 17.571 ( -5.558 -4.220 3.332) 7.733 17.571 ( 5.746 -4.220 3.367) 7.884 18.164 ( -8.183 -2.334 -4.983) 9.861 18.164 ( 8.172 -2.334 -4.981) 9.851 18.164 ( -8.172 -2.334 4.981) 9.851 18.164 ( 8.183 -2.334 4.983) 9.861 18.647 ( -7.949 -7.230 -8.904) 13.955 18.647 ( 7.669 -7.230 -8.877) 13.780 18.647 ( -7.669 -7.230 8.877) 13.780 18.647 ( 7.949 -7.230 8.904) 13.955 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.00 0.25 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 12.696 -13.648) 18.640 1.242 ( 0.000 12.696 13.648) 18.640 1.379 ( 0.000 14.812 -14.495) 20.725 1.379 ( 0.000 14.812 14.495) 20.725 2.027 ( 0.000 -3.924 -8.681) 9.527 2.027 ( 0.000 -3.924 8.681) 9.527 2.093 ( 0.000 3.058 -3.194) 4.422 2.093 ( 0.000 3.058 3.194) 4.422 2.115 ( 0.000 1.848 -4.749) 5.096 2.115 ( 0.000 1.848 4.749) 5.096 2.212 ( 0.000 4.361 -5.992) 7.411 2.212 ( 0.000 4.361 5.992) 7.411 2.296 ( 0.000 8.699 -15.366) 17.658 2.296 ( 0.000 8.699 15.366) 17.658 2.434 ( 0.000 -1.774 -8.721) 8.900 2.434 ( 0.000 -1.774 8.721) 8.900 2.448 ( 0.000 -2.919 -7.958) 8.476 2.448 ( 0.000 -2.919 7.958) 8.476 2.712 ( 0.000 -1.674 -7.487) 7.672 2.712 ( 0.000 -1.674 7.487) 7.672 2.727 ( 0.000 -2.197 -7.436) 7.754 2.727 ( 0.000 -2.197 7.436) 7.754 2.827 ( 0.000 -2.772 -1.855) 3.335 2.827 ( 0.000 -2.772 1.855) 3.335 2.883 ( 0.000 -2.385 -1.161) 2.652 2.883 ( 0.000 -2.385 1.161) 2.652 2.930 ( 0.000 -5.796 -3.940) 7.008 2.930 ( 0.000 -5.796 3.940) 7.008 3.034 ( 0.000 -2.721 -2.871) 3.955 3.034 ( 0.000 -2.721 2.871) 3.955 3.163 ( 0.000 -0.330 -3.167) 3.184 3.163 ( 0.000 -0.330 3.167) 3.184 3.270 ( 0.000 -2.715 -5.312) 5.965 3.270 ( 0.000 -2.715 5.312) 5.965 3.317 ( 0.000 -7.603 -0.834) 7.649 3.317 ( 0.000 -7.603 0.834) 7.649 3.442 ( 0.000 -2.934 -7.696) 8.236 3.442 ( 0.000 -2.934 7.696) 8.236 3.495 ( 0.000 -4.240 -3.213) 5.320 3.495 ( 0.000 -4.240 3.213) 5.320 3.644 ( 0.000 5.200 -3.810) 6.446 3.644 ( 0.000 5.200 3.810) 6.446 3.679 ( 0.000 -1.992 -2.273) 3.022 3.679 ( 0.000 -1.992 2.273) 3.022 3.822 ( 0.000 3.605 -2.919) 4.638 3.822 ( 0.000 3.605 2.919) 4.638 3.852 ( 0.000 3.659 -1.703) 4.036 3.852 ( 0.000 3.659 1.703) 4.036 4.019 ( 0.000 2.791 -6.342) 6.929 4.019 ( 0.000 2.791 6.342) 6.929 4.056 ( 0.000 -4.411 -3.199) 5.449 4.056 ( 0.000 -4.411 3.199) 5.449 4.274 ( 0.000 9.632 -2.200) 9.880 4.274 ( 0.000 9.632 2.200) 9.880 4.484 ( 0.000 -1.685 -5.090) 5.361 4.484 ( 0.000 -1.685 5.090) 5.361 4.554 ( 0.000 -4.842 -7.445) 8.881 4.554 ( 0.000 -4.842 7.445) 8.881 4.645 ( 0.000 -0.166 -5.880) 5.882 4.645 ( 0.000 -0.166 5.880) 5.882 5.023 ( 0.000 -5.946 -4.001) 7.167 5.023 ( 0.000 -5.946 4.001) 7.167 5.084 ( 0.000 0.749 -4.979) 5.035 5.084 ( 0.000 0.749 4.979) 5.035 5.191 ( 0.000 -1.829 -4.240) 4.617 5.191 ( 0.000 -1.829 4.240) 4.617 5.198 ( 0.000 -3.277 -1.513) 3.609 5.198 ( 0.000 -3.277 1.513) 3.609 5.627 ( 0.000 3.275 -6.109) 6.931 5.627 ( 0.000 3.275 6.109) 6.931 5.901 ( 0.000 -5.898 -1.770) 6.158 5.901 ( 0.000 -5.898 1.770) 6.158 7.132 ( 0.000 14.880 -3.400) 15.264 7.132 ( 0.000 14.880 3.400) 15.264 7.156 ( 0.000 9.527 -2.715) 9.907 7.156 ( 0.000 9.527 2.715) 9.907 7.202 ( 0.000 7.645 -1.926) 7.884 7.202 ( 0.000 7.645 1.926) 7.884 7.276 ( 0.000 7.740 -4.511) 8.959 7.276 ( 0.000 7.740 4.511) 8.959 7.715 ( 0.000 1.218 -3.323) 3.539 7.715 ( 0.000 1.218 3.323) 3.539 7.856 ( 0.000 -2.966 -0.265) 2.978 7.856 ( 0.000 -2.966 0.265) 2.978 7.874 ( 0.000 -4.888 -3.979) 6.303 7.874 ( 0.000 -4.888 3.979) 6.303 7.914 ( 0.000 -4.031 -1.408) 4.270 7.914 ( 0.000 -4.031 1.408) 4.270 8.011 ( 0.000 -0.194 -8.166) 8.169 8.011 ( 0.000 -0.194 8.166) 8.169 8.071 ( 0.000 -1.812 -1.891) 2.619 8.071 ( 0.000 -1.812 1.891) 2.619 8.168 ( 0.000 -2.925 -5.134) 5.909 8.168 ( 0.000 -2.925 5.134) 5.909 8.391 ( 0.000 0.305 -3.304) 3.318 8.391 ( 0.000 0.305 3.304) 3.318 8.689 ( 0.000 0.450 -0.578) 0.732 8.689 ( 0.000 0.450 0.578) 0.732 8.786 ( 0.000 -0.624 -1.651) 1.765 8.786 ( 0.000 -0.624 1.651) 1.765 8.880 ( 0.000 -0.729 -5.328) 5.377 8.880 ( 0.000 -0.729 5.328) 5.377 9.144 ( 0.000 5.632 -4.047) 6.935 9.144 ( 0.000 5.632 4.047) 6.935 9.190 ( 0.000 -2.733 -0.836) 2.858 9.190 ( 0.000 -2.733 0.836) 2.858 9.295 ( 0.000 -5.501 -2.276) 5.953 9.295 ( 0.000 -5.501 2.276) 5.953 9.442 ( 0.000 -3.025 -1.735) 3.487 9.442 ( 0.000 -3.025 1.735) 3.487 9.586 ( 0.000 -3.577 -2.161) 4.179 9.586 ( 0.000 -3.577 2.161) 4.179 9.608 ( 0.000 14.212 -14.426) 20.250 9.608 ( 0.000 14.212 14.426) 20.250 9.923 ( 0.000 3.916 -4.229) 5.764 9.923 ( 0.000 3.916 4.229) 5.764 9.992 ( 0.000 -0.301 -8.577) 8.582 9.992 ( 0.000 -0.301 8.577) 8.582 10.097 ( 0.000 -4.327 -7.829) 8.946 10.097 ( 0.000 -4.327 7.829) 8.946 10.542 ( 0.000 0.559 -1.388) 1.496 10.542 ( 0.000 0.559 1.388) 1.496 10.597 ( 0.000 -2.756 -3.587) 4.523 10.597 ( 0.000 -2.756 3.587) 4.523 10.797 ( 0.000 -3.166 -1.582) 3.540 10.797 ( 0.000 -3.166 1.582) 3.540 10.882 ( 0.000 -2.210 -8.407) 8.692 10.882 ( 0.000 -2.210 8.407) 8.692 11.101 ( 0.000 1.523 -5.852) 6.047 11.101 ( 0.000 1.523 5.852) 6.047 11.238 ( 0.000 1.288 -7.030) 7.147 11.238 ( 0.000 1.288 7.030) 7.147 12.015 ( 0.000 10.206 -5.234) 11.470 12.015 ( 0.000 10.206 5.234) 11.470 12.170 ( 0.000 6.499 -6.233) 9.005 12.170 ( 0.000 6.499 6.233) 9.005 12.854 ( 0.000 -1.325 -3.005) 3.284 12.854 ( 0.000 -1.325 3.005) 3.284 12.975 ( 0.000 -7.268 -19.381) 20.699 12.975 ( 0.000 -7.268 19.381) 20.699 13.442 ( 0.000 0.206 -8.750) 8.753 13.442 ( 0.000 0.206 8.750) 8.753 13.543 ( 0.000 -2.331 -11.179) 11.419 13.543 ( 0.000 -2.331 11.179) 11.419 13.936 ( 0.000 0.383 -10.432) 10.439 13.936 ( 0.000 0.383 10.432) 10.439 14.123 ( 0.000 -1.302 -5.597) 5.747 14.123 ( 0.000 -1.302 5.597) 5.747 15.211 ( 0.000 3.254 -2.217) 3.937 15.211 ( 0.000 3.254 2.217) 3.937 15.293 ( 0.000 1.735 -5.730) 5.987 15.293 ( 0.000 1.735 5.730) 5.987 15.388 ( 0.000 2.710 -4.069) 4.889 15.388 ( 0.000 2.710 4.069) 4.889 15.641 ( 0.000 2.994 -2.659) 4.004 15.641 ( 0.000 2.994 2.659) 4.004 15.730 ( 0.000 -3.421 -2.308) 4.127 15.730 ( 0.000 -3.421 2.308) 4.127 15.930 ( 0.000 5.268 -1.656) 5.523 15.930 ( 0.000 5.268 1.656) 5.523 16.117 ( 0.000 -11.463 -9.491) 14.882 16.117 ( 0.000 -11.463 9.491) 14.882 16.286 ( 0.000 2.138 -5.178) 5.602 16.286 ( 0.000 2.138 5.178) 5.602 17.123 ( 0.000 1.776 -1.595) 2.387 17.123 ( 0.000 1.776 1.595) 2.387 17.373 ( 0.000 -1.665 -7.237) 7.426 17.373 ( 0.000 -1.665 7.237) 7.426 17.539 ( 0.000 -0.342 -4.222) 4.236 17.539 ( 0.000 -0.342 4.222) 4.236 17.590 ( 0.000 -6.597 -4.831) 8.177 17.590 ( 0.000 -6.597 4.831) 8.177 18.001 ( 0.000 1.684 -2.422) 2.949 18.001 ( 0.000 1.684 2.422) 2.949 18.288 ( 0.000 -5.899 -3.597) 6.909 18.288 ( 0.000 -5.899 3.597) 6.909 18.346 ( 0.000 -5.938 -9.143) 10.902 18.346 ( 0.000 -5.938 9.143) 10.902 18.617 ( 0.000 -13.595 -8.173) 15.862 18.617 ( 0.000 -13.595 8.173) 15.862 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.25 0.25 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 10.341 12.313 -4.747) 16.765 1.406 ( 10.341 12.313 4.747) 16.765 1.471 ( 10.808 13.334 -5.746) 18.100 1.471 ( 10.808 13.334 5.746) 18.100 1.858 ( -12.631 7.206 -4.899) 15.345 1.858 ( -12.631 7.206 4.899) 15.345 1.942 ( -7.345 4.352 -12.283) 14.959 1.942 ( -7.345 4.352 12.283) 14.959 2.213 ( 6.082 -2.075 -4.520) 7.857 2.213 ( 6.082 -2.075 4.520) 7.857 2.305 ( 1.466 2.824 -6.786) 7.495 2.305 ( 1.466 2.824 6.786) 7.495 2.379 ( 7.598 -0.428 -4.620) 8.902 2.379 ( 7.598 -0.428 4.620) 8.902 2.442 ( 2.115 -0.686 -6.938) 7.286 2.442 ( 2.115 -0.686 6.938) 7.286 2.526 ( 4.593 -2.804 -1.757) 5.660 2.526 ( 4.593 -2.804 1.757) 5.660 2.612 ( -3.734 -2.876 -3.434) 5.832 2.612 ( -3.734 -2.876 3.434) 5.832 2.752 ( -2.939 -3.006 -1.307) 4.402 2.752 ( -2.939 -3.006 1.307) 4.402 2.825 ( -2.835 -4.357 -4.073) 6.603 2.825 ( -2.835 -4.357 4.073) 6.603 2.880 ( 2.150 -2.594 -2.040) 3.938 2.880 ( 2.150 -2.594 2.040) 3.938 2.975 ( 3.154 -3.443 -1.260) 4.836 2.975 ( 3.154 -3.443 1.260) 4.836 3.018 ( -0.139 -2.736 -1.745) 3.248 3.018 ( -0.139 -2.736 1.745) 3.248 3.182 ( 0.713 0.027 -3.622) 3.692 3.182 ( 0.713 0.027 3.622) 3.692 3.245 ( -1.165 -1.286 -1.986) 2.638 3.245 ( -1.165 -1.286 1.986) 2.638 3.322 ( -2.244 -3.776 -1.402) 4.611 3.322 ( -2.244 -3.776 1.402) 4.611 3.431 ( 1.986 -5.209 -2.842) 6.257 3.431 ( 1.986 -5.209 2.842) 6.257 3.520 ( 0.613 -5.674 -0.704) 5.750 3.520 ( 0.613 -5.674 0.704) 5.750 3.623 ( 0.857 2.534 -1.868) 3.263 3.623 ( 0.857 2.534 1.868) 3.263 3.681 ( 0.285 3.562 -5.804) 6.815 3.681 ( 0.285 3.562 5.804) 6.815 3.819 ( -0.877 4.911 -3.356) 6.012 3.819 ( -0.877 4.911 3.356) 6.012 3.895 ( -0.895 6.796 -2.280) 7.224 3.895 ( -0.895 6.796 2.280) 7.224 3.950 ( -4.935 -2.694 -1.998) 5.967 3.950 ( -4.935 -2.694 1.998) 5.967 4.009 ( -0.185 1.185 -6.731) 6.837 4.009 ( -0.185 1.185 6.731) 6.837 4.127 ( -9.304 4.837 -1.539) 10.598 4.127 ( -9.304 4.837 1.539) 10.598 4.311 ( -8.763 -5.621 -2.350) 10.673 4.311 ( -8.763 -5.621 2.350) 10.673 4.674 ( 9.681 2.693 -1.053) 10.104 4.674 ( 9.681 2.693 1.053) 10.104 4.853 ( 7.752 -0.121 -6.121) 9.878 4.853 ( 7.752 -0.121 6.121) 9.878 5.039 ( -1.257 -1.323 -3.056) 3.560 5.039 ( -1.257 -1.323 3.056) 3.560 5.061 ( 2.563 -6.194 -3.337) 7.488 5.061 ( 2.563 -6.194 3.337) 7.488 5.149 ( -2.918 -1.846 -3.655) 5.028 5.149 ( -2.918 -1.846 3.655) 5.028 5.222 ( -0.243 -3.354 -0.850) 3.469 5.222 ( -0.243 -3.354 0.850) 3.469 5.676 ( 4.421 0.917 -4.345) 6.266 5.676 ( 4.421 0.917 4.345) 6.266 5.868 ( -3.059 -5.031 -0.814) 5.943 5.868 ( -3.059 -5.031 0.814) 5.943 7.094 ( -1.617 11.009 -3.071) 11.543 7.094 ( -1.617 11.009 3.071) 11.543 7.129 ( -2.717 10.131 -3.720) 11.129 7.129 ( -2.717 10.131 3.720) 11.129 7.238 ( 2.900 9.392 -2.135) 10.058 7.238 ( 2.900 9.392 2.135) 10.058 7.296 ( 0.789 8.646 -2.087) 8.930 7.296 ( 0.789 8.646 2.087) 8.930 7.718 ( 0.602 0.951 -4.240) 4.387 7.718 ( 0.602 0.951 4.240) 4.387 7.832 ( -3.572 -0.457 -5.775) 6.806 7.832 ( -3.572 -0.457 5.775) 6.806 7.879 ( 2.118 -3.388 -2.487) 4.707 7.879 ( 2.118 -3.388 2.487) 4.707 7.950 ( 2.725 -4.275 -0.811) 5.134 7.950 ( 2.725 -4.275 0.811) 5.134 8.028 ( 1.189 -1.394 -4.717) 5.060 8.028 ( 1.189 -1.394 4.717) 5.060 8.096 ( -2.156 -3.706 -2.396) 4.911 8.096 ( -2.156 -3.706 2.396) 4.911 8.157 ( 4.227 -1.983 -3.074) 5.591 8.157 ( 4.227 -1.983 3.074) 5.591 8.393 ( -1.095 -1.458 -3.076) 3.576 8.393 ( -1.095 -1.458 3.076) 3.576 8.697 ( 0.645 0.266 -0.964) 1.190 8.697 ( 0.645 0.266 0.964) 1.190 8.771 ( -2.077 -1.791 -2.144) 3.481 8.771 ( -2.077 -1.791 2.144) 3.481 8.886 ( 1.903 1.212 -2.170) 3.130 8.886 ( 1.903 1.212 2.170) 3.130 9.105 ( -4.146 4.709 -3.220) 7.052 9.105 ( -4.146 4.709 3.220) 7.052 9.224 ( 2.854 -0.782 -1.420) 3.282 9.224 ( 2.854 -0.782 1.420) 3.282 9.286 ( -0.881 -5.791 -1.029) 5.947 9.286 ( -0.881 -5.791 1.029) 5.947 9.369 ( -2.334 -0.775 -1.475) 2.868 9.369 ( -2.334 -0.775 1.475) 2.868 9.481 ( -8.900 10.843 -11.169) 17.931 9.481 ( -8.900 10.843 11.169) 17.931 9.657 ( 2.582 -0.917 -4.741) 5.476 9.657 ( 2.582 -0.917 4.741) 5.476 9.821 ( -6.355 1.337 -5.755) 8.677 9.821 ( -6.355 1.337 5.755) 8.677 10.047 ( 3.054 -0.847 -7.480) 8.124 10.047 ( 3.054 -0.847 7.480) 8.124 10.114 ( 0.695 -2.387 -8.716) 9.064 10.114 ( 0.695 -2.387 8.716) 9.064 10.543 ( 2.211 -0.118 -3.487) 4.131 10.543 ( 2.211 -0.118 3.487) 4.131 10.674 ( 1.102 -0.949 -3.813) 4.081 10.674 ( 1.102 -0.949 3.813) 4.081 10.744 ( 1.878 -2.930 -0.758) 3.562 10.744 ( 1.878 -2.930 0.758) 3.562 10.963 ( 0.186 -0.593 -3.733) 3.785 10.963 ( 0.186 -0.593 3.733) 3.785 11.113 ( 3.215 -0.104 -5.605) 6.463 11.113 ( 3.215 -0.104 5.605) 6.463 11.226 ( -1.155 -0.149 -6.137) 6.247 11.226 ( -1.155 -0.149 6.137) 6.247 12.058 ( 6.526 8.451 -5.934) 12.216 12.058 ( 6.526 8.451 5.934) 12.216 12.297 ( 8.135 6.110 -6.244) 11.937 12.297 ( 8.135 6.110 6.244) 11.937 12.811 ( -8.531 -3.326 -10.394) 13.852 12.811 ( -8.531 -3.326 10.394) 13.852 12.865 ( -3.947 -2.803 -3.678) 6.080 12.865 ( -3.947 -2.803 3.678) 6.080 13.469 ( 0.954 -1.231 -5.775) 5.981 13.469 ( 0.954 -1.231 5.775) 5.981 13.538 ( -1.083 -1.414 -3.381) 3.821 13.538 ( -1.083 -1.414 3.381) 3.821 13.875 ( -3.631 -0.194 -5.629) 6.701 13.875 ( -3.631 -0.194 5.629) 6.701 14.013 ( -7.271 -1.637 -2.414) 7.834 14.013 ( -7.271 -1.637 2.414) 7.834 15.208 ( -0.075 3.189 -2.674) 4.162 15.208 ( -0.075 3.189 2.674) 4.162 15.260 ( -2.306 2.321 -4.329) 5.426 15.260 ( -2.306 2.321 4.329) 5.426 15.448 ( 4.232 3.032 -3.747) 6.414 15.448 ( 4.232 3.032 3.747) 6.414 15.584 ( -2.793 3.063 -2.841) 5.026 15.584 ( -2.793 3.063 2.841) 5.026 15.794 ( 4.283 -2.803 -1.576) 5.355 15.794 ( 4.283 -2.803 1.576) 5.355 15.970 ( -0.849 6.540 -1.401) 6.742 15.970 ( -0.849 6.540 1.401) 6.742 16.141 ( 4.244 -9.884 -1.303) 10.835 16.141 ( 4.244 -9.884 1.303) 10.835 16.280 ( -0.875 1.554 -5.275) 5.568 16.280 ( -0.875 1.554 5.275) 5.568 17.229 ( 8.718 -1.538 -1.376) 8.959 17.229 ( 8.718 -1.538 1.376) 8.959 17.404 ( 2.638 -2.374 -6.769) 7.643 17.404 ( 2.638 -2.374 6.769) 7.643 17.517 ( -2.226 -1.219 -2.182) 3.347 17.517 ( -2.226 -1.219 2.182) 3.347 17.558 ( -2.935 -5.789 -4.419) 7.852 17.558 ( -2.935 -5.789 4.419) 7.852 18.026 ( 2.642 0.779 -2.582) 3.776 18.026 ( 2.642 0.779 2.582) 3.776 18.232 ( -4.736 -4.640 -3.345) 7.426 18.232 ( -4.736 -4.640 3.345) 7.426 18.387 ( 3.493 -6.866 -8.654) 11.586 18.387 ( 3.493 -6.866 8.654) 11.586 18.575 ( -3.782 -11.894 -8.208) 14.938 18.575 ( -3.782 -11.894 8.208) 14.938 ======================= Grid point 114 (39/45) ======================= q-point: (-0.50 0.25 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -10.773 11.269 -7.575) 17.333 1.609 ( 10.613 11.269 -7.550) 17.223 1.609 ( -10.613 11.269 7.550) 17.223 1.609 ( 10.773 11.269 7.575) 17.333 1.745 ( -11.811 9.839 -13.005) 20.136 1.745 ( 11.810 9.839 -13.005) 20.136 1.745 ( -11.810 9.839 13.005) 20.136 1.745 ( 11.811 9.839 13.005) 20.136 2.316 ( -2.176 -1.062 -6.299) 6.748 2.316 ( 2.108 -1.062 -6.296) 6.724 2.316 ( -2.108 -1.062 6.296) 6.724 2.316 ( 2.176 -1.062 6.299) 6.748 2.461 ( -1.903 -4.598 -4.844) 6.945 2.461 ( 1.807 -4.598 -4.840) 6.916 2.461 ( -1.807 -4.598 4.840) 6.916 2.461 ( 1.903 -4.598 4.844) 6.945 2.611 ( -2.108 -5.574 -3.827) 7.082 2.611 ( 1.871 -5.574 -3.813) 7.008 2.611 ( -1.871 -5.574 3.813) 7.008 2.611 ( 2.108 -5.574 3.827) 7.082 2.697 ( -6.464 0.198 -6.747) 9.345 2.697 ( 6.459 0.198 -6.746) 9.342 2.697 ( -6.459 0.198 6.746) 9.342 2.697 ( 6.464 0.198 6.747) 9.345 2.961 ( -3.415 -2.245 -2.525) 4.804 2.961 ( 1.901 -2.245 -2.342) 3.760 2.961 ( -1.901 -2.245 2.342) 3.760 2.961 ( 3.415 -2.245 2.525) 4.804 3.103 ( -5.981 -1.417 -3.897) 7.278 3.103 ( 3.984 -1.417 -3.603) 5.555 3.103 ( -3.984 -1.417 3.603) 5.555 3.103 ( 5.981 -1.417 3.897) 7.278 3.274 ( -1.843 -1.632 -4.586) 5.205 3.274 ( 1.201 -1.632 -4.562) 4.992 3.274 ( -1.201 -1.632 4.562) 4.992 3.274 ( 1.843 -1.632 4.586) 5.205 3.486 ( -2.816 -6.230 -1.239) 6.948 3.486 ( -0.491 -6.230 -0.825) 6.303 3.486 ( 0.491 -6.230 0.825) 6.303 3.486 ( 2.816 -6.230 1.239) 6.948 3.710 ( -3.055 2.362 -2.310) 4.500 3.710 ( 0.814 2.362 -2.092) 3.258 3.710 ( -0.814 2.362 2.092) 3.258 3.710 ( 3.055 2.362 2.310) 4.500 3.777 ( -5.810 9.053 -2.498) 11.044 3.777 ( 2.283 9.053 -1.751) 9.500 3.777 ( -2.283 9.053 1.751) 9.500 3.777 ( 5.810 9.053 2.498) 11.044 3.940 ( -2.897 1.509 -3.378) 4.699 3.940 ( 2.331 1.509 -3.329) 4.334 3.940 ( -2.331 1.509 3.329) 4.334 3.940 ( 2.897 1.509 3.378) 4.699 4.150 ( -6.957 -3.528 -2.034) 8.062 4.150 ( -5.929 -3.528 1.633) 7.090 4.150 ( 5.929 -3.528 -1.633) 7.090 4.150 ( 6.957 -3.528 2.034) 8.062 4.853 ( -6.180 2.540 -4.421) 8.012 4.853 ( 4.880 2.540 -4.236) 6.944 4.853 ( -4.880 2.540 4.236) 6.944 4.853 ( 6.180 2.540 4.421) 8.012 5.057 ( -3.192 -1.231 -2.423) 4.192 5.057 ( 2.797 -1.231 -2.368) 3.866 5.057 ( -2.797 -1.231 2.368) 3.866 5.057 ( 3.192 -1.231 2.423) 4.193 5.173 ( -4.151 -6.282 -1.370) 7.653 5.173 ( -1.946 -6.282 0.619) 6.605 5.173 ( 1.946 -6.282 -0.619) 6.605 5.173 ( 4.151 -6.282 1.370) 7.653 5.781 ( -4.872 -2.625 -1.706) 5.791 5.781 ( -0.827 -2.625 -0.592) 2.815 5.781 ( 0.827 -2.625 0.592) 2.815 5.781 ( 4.872 -2.625 1.706) 5.791 7.086 ( -0.930 9.810 -3.982) 10.628 7.086 ( 0.921 9.810 -3.981) 10.627 7.086 ( -0.921 9.810 3.981) 10.627 7.086 ( 0.930 9.810 3.982) 10.628 7.289 ( -1.439 9.466 -0.170) 9.576 7.289 ( -1.366 9.466 -0.077) 9.564 7.289 ( 1.366 9.466 0.077) 9.564 7.289 ( 1.439 9.466 0.170) 9.576 7.754 ( -2.663 0.536 -7.279) 7.769 7.754 ( 2.437 0.536 -7.270) 7.686 7.754 ( -2.437 0.536 7.270) 7.686 7.754 ( 2.663 0.536 7.279) 7.769 7.946 ( -3.140 -1.789 -4.060) 5.435 7.946 ( 2.987 -1.789 -4.047) 5.339 7.946 ( -2.987 -1.789 4.047) 5.339 7.946 ( 3.140 -1.789 4.060) 5.435 8.049 ( -0.862 -3.332 -5.012) 6.080 8.049 ( 0.746 -3.332 -5.010) 6.063 8.049 ( -0.746 -3.332 5.010) 6.063 8.049 ( 0.862 -3.332 5.012) 6.080 8.303 ( -6.893 -3.816 -2.768) 8.351 8.303 ( -0.254 -3.816 -1.546) 4.125 8.303 ( 0.254 -3.816 1.546) 4.125 8.303 ( 6.893 -3.816 2.768) 8.351 8.720 ( -1.853 -0.927 -1.807) 2.749 8.720 ( 1.849 -0.927 -1.806) 2.746 8.720 ( -1.849 -0.927 1.806) 2.746 8.720 ( 1.853 -0.927 1.807) 2.749 8.981 ( -6.271 3.114 -3.133) 7.670 8.981 ( 3.477 3.114 -2.606) 5.346 8.981 ( -3.477 3.114 2.606) 5.346 8.981 ( 6.271 3.114 3.133) 7.670 9.298 ( -3.325 4.185 -3.774) 6.543 9.298 ( 2.745 4.185 -3.722) 6.237 9.298 ( -2.745 4.185 3.722) 6.237 9.298 ( 3.325 4.185 3.774) 6.543 9.333 ( -1.675 -1.466 -4.079) 4.647 9.333 ( 1.632 -1.466 -4.077) 4.630 9.333 ( -1.632 -1.466 4.077) 4.630 9.333 ( 1.675 -1.466 4.079) 4.647 9.712 ( -3.368 0.606 -6.762) 7.578 9.712 ( 3.098 0.606 -6.748) 7.450 9.712 ( -3.098 0.606 6.748) 7.450 9.712 ( 3.368 0.606 6.762) 7.578 10.102 ( -1.666 -1.666 -9.888) 10.165 10.102 ( 1.603 -1.666 -9.887) 10.154 10.102 ( -1.603 -1.666 9.887) 10.154 10.102 ( 1.666 -1.666 9.888) 10.165 10.615 ( -2.438 -1.305 -3.149) 4.191 10.615 ( -0.240 -1.305 -3.044) 3.321 10.615 ( 0.240 -1.305 3.044) 3.321 10.615 ( 2.438 -1.305 3.149) 4.191 10.873 ( -6.760 0.329 -4.183) 7.957 10.873 ( 5.614 0.329 -3.990) 6.896 10.873 ( -5.614 0.329 3.990) 6.896 10.873 ( 6.760 0.329 4.183) 7.957 11.189 ( -2.514 -1.520 -3.061) 4.243 11.189 ( 2.179 -1.520 -3.032) 4.031 11.189 ( -2.179 -1.520 3.032) 4.031 11.189 ( 2.514 -1.520 3.061) 4.243 12.278 ( -9.827 5.871 -5.965) 12.908 12.278 ( 1.467 5.871 -5.009) 7.856 12.278 ( -1.467 5.871 5.009) 7.856 12.278 ( 9.827 5.871 5.965) 12.908 12.756 ( -5.710 -1.968 -6.392) 8.794 12.756 ( 5.100 -1.968 -6.334) 8.367 12.756 ( -5.100 -1.968 6.334) 8.367 12.756 ( 5.710 -1.968 6.392) 8.794 13.490 ( -0.522 -0.734 -13.405) 13.435 13.490 ( 0.309 -0.734 -13.404) 13.428 13.490 ( -0.309 -0.734 13.404) 13.428 13.490 ( 0.522 -0.734 13.405) 13.435 13.887 ( -1.691 -1.925 -7.671) 8.088 13.887 ( 0.185 -1.925 -7.650) 7.891 13.887 ( -0.185 -1.925 7.650) 7.891 13.887 ( 1.691 -1.925 7.671) 8.088 15.219 ( -1.234 2.897 -3.669) 4.835 15.219 ( 1.200 2.897 -3.667) 4.825 15.219 ( -1.200 2.897 3.667) 4.825 15.219 ( 1.234 2.897 3.669) 4.835 15.528 ( -2.373 3.382 -4.784) 6.321 15.528 ( 1.581 3.382 -4.748) 6.040 15.528 ( -1.581 3.382 4.748) 6.040 15.528 ( 2.373 3.382 4.784) 6.321 15.893 ( -4.921 0.120 -2.578) 5.557 15.893 ( 4.621 0.120 -2.515) 5.262 15.893 ( -4.621 0.120 2.515) 5.262 15.893 ( 4.921 0.120 2.578) 5.557 16.237 ( -3.429 -1.177 -5.541) 6.622 16.237 ( 3.303 -1.177 -5.533) 6.550 16.237 ( -3.303 -1.177 5.533) 6.550 16.237 ( 3.429 -1.177 5.541) 6.622 17.405 ( -6.209 -4.366 -1.195) 7.684 17.405 ( -5.277 -4.366 0.488) 6.866 17.405 ( 5.277 -4.366 -0.488) 6.866 17.405 ( 6.209 -4.366 1.195) 7.684 17.489 ( -2.798 -2.801 -6.924) 7.976 17.489 ( 2.795 -2.801 -6.924) 7.975 17.489 ( -2.795 -2.801 6.924) 7.975 17.489 ( 2.798 -2.801 6.924) 7.976 18.116 ( -5.662 -1.956 -3.142) 6.764 18.116 ( 5.635 -1.956 -3.137) 6.739 18.116 ( -5.635 -1.956 3.137) 6.739 18.116 ( 5.662 -1.956 3.142) 6.764 18.479 ( -4.717 -8.872 -9.056) 13.527 18.479 ( 4.443 -8.872 -9.041) 13.423 18.479 ( -4.443 -8.872 9.041) 13.423 18.479 ( 4.717 -8.872 9.056) 13.527 ======================= Grid point 120 (40/45) ======================= q-point: ( 0.00 0.38 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.000 12.632 -9.100) 15.568 1.499 ( 0.000 12.632 9.100) 15.568 1.665 ( 0.000 13.459 -12.906) 18.647 1.665 ( 0.000 13.459 12.906) 18.647 1.906 ( 0.000 -7.339 -4.917) 8.833 1.906 ( 0.000 -7.339 4.917) 8.833 2.082 ( 0.000 -5.619 -8.820) 10.458 2.082 ( 0.000 -5.619 8.820) 10.458 2.178 ( 0.000 5.390 -2.760) 6.055 2.178 ( 0.000 5.390 2.760) 6.055 2.320 ( 0.000 5.077 -1.667) 5.343 2.320 ( 0.000 5.077 1.667) 5.343 2.403 ( 0.000 0.620 -9.100) 9.121 2.403 ( 0.000 0.620 9.100) 9.121 2.424 ( 0.000 -0.204 -4.462) 4.466 2.424 ( 0.000 -0.204 4.462) 4.466 2.475 ( 0.000 5.694 -5.677) 8.040 2.475 ( 0.000 5.694 5.677) 8.040 2.599 ( 0.000 -6.258 -5.187) 8.129 2.599 ( 0.000 -6.258 5.187) 8.129 2.673 ( 0.000 -1.575 -8.149) 8.300 2.673 ( 0.000 -1.575 8.149) 8.300 2.775 ( 0.000 -6.525 -4.047) 7.679 2.775 ( 0.000 -6.525 4.047) 7.679 2.853 ( 0.000 1.455 -4.439) 4.672 2.853 ( 0.000 1.455 4.439) 4.672 2.865 ( 0.000 0.421 -1.744) 1.794 2.865 ( 0.000 0.421 1.744) 1.794 2.987 ( 0.000 -2.181 -6.387) 6.749 2.987 ( 0.000 -2.181 6.387) 6.749 3.122 ( 0.000 -4.810 -5.196) 7.081 3.122 ( 0.000 -4.810 5.196) 7.081 3.186 ( 0.000 -4.401 -4.112) 6.023 3.186 ( 0.000 -4.401 4.112) 6.023 3.204 ( 0.000 -3.780 -2.313) 4.431 3.204 ( 0.000 -3.780 2.313) 4.431 3.389 ( 0.000 -1.767 -6.497) 6.733 3.389 ( 0.000 -1.767 6.497) 6.733 3.417 ( 0.000 -3.223 -4.270) 5.350 3.417 ( 0.000 -3.223 4.270) 5.350 3.638 ( 0.000 -1.262 -2.556) 2.851 3.638 ( 0.000 -1.262 2.556) 2.851 3.687 ( 0.000 -2.509 -4.730) 5.354 3.687 ( 0.000 -2.509 4.730) 5.354 3.900 ( 0.000 3.622 -1.974) 4.125 3.900 ( 0.000 3.622 1.974) 4.125 3.911 ( 0.000 3.509 -3.403) 4.888 3.911 ( 0.000 3.509 3.403) 4.888 4.078 ( 0.000 6.699 -1.461) 6.856 4.078 ( 0.000 6.699 1.461) 6.856 4.133 ( 0.000 7.124 -2.685) 7.613 4.133 ( 0.000 7.124 2.685) 7.613 4.384 ( 0.000 -0.421 -6.853) 6.866 4.384 ( 0.000 -0.421 6.853) 6.866 4.440 ( 0.000 -1.144 -11.006) 11.066 4.440 ( 0.000 -1.144 11.006) 11.066 4.554 ( 0.000 5.960 -1.598) 6.170 4.554 ( 0.000 5.960 1.598) 6.170 4.648 ( 0.000 -2.506 -5.777) 6.297 4.648 ( 0.000 -2.506 5.777) 6.297 4.912 ( 0.000 -3.345 -2.497) 4.174 4.912 ( 0.000 -3.345 2.497) 4.174 5.004 ( 0.000 -8.904 -5.413) 10.420 5.004 ( 0.000 -8.904 5.413) 10.420 5.130 ( 0.000 -3.427 -1.969) 3.952 5.130 ( 0.000 -3.427 1.969) 3.952 5.134 ( 0.000 -2.328 -4.863) 5.391 5.134 ( 0.000 -2.328 4.863) 5.391 5.701 ( 0.000 3.871 -7.999) 8.887 5.701 ( 0.000 3.871 7.999) 8.887 5.818 ( 0.000 -2.707 -4.163) 4.966 5.818 ( 0.000 -2.707 4.163) 4.966 7.320 ( 0.000 7.093 -4.170) 8.228 7.320 ( 0.000 7.093 4.170) 8.228 7.340 ( 0.000 8.256 -4.158) 9.244 7.340 ( 0.000 8.256 4.158) 9.244 7.409 ( 0.000 5.273 -4.247) 6.771 7.409 ( 0.000 5.273 4.247) 6.771 7.428 ( 0.000 9.482 -2.741) 9.870 7.428 ( 0.000 9.482 2.741) 9.870 7.738 ( 0.000 -0.729 -5.599) 5.646 7.738 ( 0.000 -0.729 5.599) 5.646 7.777 ( 0.000 -4.409 -2.412) 5.026 7.777 ( 0.000 -4.409 2.412) 5.026 7.789 ( 0.000 -0.982 -3.714) 3.842 7.789 ( 0.000 -0.982 3.714) 3.842 7.855 ( 0.000 -1.972 -2.706) 3.348 7.855 ( 0.000 -1.972 2.706) 3.348 7.990 ( 0.000 -2.603 -4.026) 4.794 7.990 ( 0.000 -2.603 4.026) 4.794 8.013 ( 0.000 -3.658 -4.062) 5.466 8.013 ( 0.000 -3.658 4.062) 5.466 8.149 ( 0.000 2.563 -4.432) 5.120 8.149 ( 0.000 2.563 4.432) 5.120 8.369 ( 0.000 -3.088 -2.316) 3.860 8.369 ( 0.000 -3.088 2.316) 3.860 8.697 ( 0.000 0.240 -0.766) 0.803 8.697 ( 0.000 0.240 0.766) 0.803 8.737 ( 0.000 -3.063 -4.206) 5.203 8.737 ( 0.000 -3.063 4.206) 5.203 8.918 ( 0.000 3.825 -2.351) 4.490 8.918 ( 0.000 3.825 2.351) 4.490 9.115 ( 0.000 -5.239 -2.328) 5.733 9.115 ( 0.000 -5.239 2.328) 5.733 9.212 ( 0.000 -1.603 -3.663) 3.998 9.212 ( 0.000 -1.603 3.663) 3.998 9.229 ( 0.000 1.710 -2.381) 2.932 9.229 ( 0.000 1.710 2.381) 2.932 9.393 ( 0.000 -0.031 -2.224) 2.224 9.393 ( 0.000 -0.031 2.224) 2.224 9.521 ( 0.000 -3.309 -1.265) 3.543 9.521 ( 0.000 -3.309 1.265) 3.543 9.786 ( 0.000 5.295 -8.919) 10.372 9.786 ( 0.000 5.295 8.919) 10.372 9.951 ( 0.000 -3.649 -3.924) 5.358 9.951 ( 0.000 -3.649 3.924) 5.358 10.022 ( 0.000 4.329 -9.608) 10.538 10.022 ( 0.000 4.329 9.608) 10.538 10.056 ( 0.000 0.063 -5.483) 5.483 10.056 ( 0.000 0.063 5.483) 5.483 10.537 ( 0.000 -0.829 -0.248) 0.866 10.537 ( 0.000 -0.829 0.248) 0.866 10.543 ( 0.000 -2.197 -4.500) 5.008 10.543 ( 0.000 -2.197 4.500) 5.008 10.762 ( 0.000 -0.202 -3.439) 3.444 10.762 ( 0.000 -0.202 3.439) 3.444 10.832 ( 0.000 -2.632 -8.546) 8.942 10.832 ( 0.000 -2.632 8.546) 8.942 11.140 ( 0.000 2.432 -6.843) 7.262 11.140 ( 0.000 2.432 6.843) 7.262 11.237 ( 0.000 -1.353 -8.818) 8.921 11.237 ( 0.000 -1.353 8.818) 8.921 12.228 ( 0.000 9.962 -6.586) 11.942 12.228 ( 0.000 9.962 6.586) 11.942 12.299 ( 0.000 5.780 -7.992) 9.863 12.299 ( 0.000 5.780 7.992) 9.863 12.806 ( 0.000 -3.217 -4.923) 5.881 12.806 ( 0.000 -3.217 4.923) 5.881 12.836 ( 0.000 -6.137 -14.506) 15.751 12.836 ( 0.000 -6.137 14.506) 15.751 13.453 ( 0.000 0.758 -9.011) 9.042 13.453 ( 0.000 0.758 9.011) 9.042 13.500 ( 0.000 -1.830 -10.052) 10.217 13.500 ( 0.000 -1.830 10.052) 10.217 13.956 ( 0.000 1.785 -10.682) 10.830 13.956 ( 0.000 1.785 10.682) 10.830 14.076 ( 0.000 -3.242 -7.690) 8.345 14.076 ( 0.000 -3.242 7.690) 8.345 15.278 ( 0.000 3.101 -4.275) 5.281 15.278 ( 0.000 3.101 4.275) 5.281 15.321 ( 0.000 0.896 -6.347) 6.410 15.321 ( 0.000 0.896 6.347) 6.410 15.445 ( 0.000 3.131 -2.741) 4.161 15.445 ( 0.000 3.131 2.741) 4.161 15.632 ( 0.000 -5.787 -1.624) 6.011 15.632 ( 0.000 -5.787 1.624) 6.011 15.703 ( 0.000 3.109 -6.649) 7.340 15.703 ( 0.000 3.109 6.649) 7.340 15.863 ( 0.000 -6.737 -10.418) 12.406 15.863 ( 0.000 -6.737 10.418) 12.406 16.135 ( 0.000 7.386 -1.244) 7.490 16.135 ( 0.000 7.386 1.244) 7.490 16.309 ( 0.000 -0.356 -4.097) 4.112 16.309 ( 0.000 -0.356 4.097) 4.112 17.172 ( 0.000 3.174 -1.382) 3.461 17.172 ( 0.000 3.174 1.382) 3.461 17.329 ( 0.000 -3.238 -6.236) 7.026 17.329 ( 0.000 -3.238 6.236) 7.026 17.491 ( 0.000 -2.622 -5.631) 6.211 17.491 ( 0.000 -2.622 5.631) 6.211 17.522 ( 0.000 -1.473 -5.056) 5.266 17.522 ( 0.000 -1.473 5.056) 5.266 18.043 ( 0.000 2.515 -1.890) 3.146 18.043 ( 0.000 2.515 1.890) 3.146 18.205 ( 0.000 -1.476 -0.615) 1.599 18.205 ( 0.000 -1.476 0.615) 1.599 18.220 ( 0.000 -6.377 -5.129) 8.184 18.220 ( 0.000 -6.377 5.129) 8.184 18.387 ( 0.000 -9.489 -5.260) 10.849 18.387 ( 0.000 -9.489 5.260) 10.849 ======================= Grid point 122 (41/45) ======================= q-point: ( 0.25 0.38 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 11.172 11.968 -6.631) 17.664 1.652 ( 11.172 11.968 6.631) 17.664 1.732 ( 7.196 12.300 -10.321) 17.595 1.732 ( 7.196 12.300 10.321) 17.595 1.954 ( 1.467 -0.445 -8.878) 9.009 1.954 ( 1.467 -0.445 8.878) 9.009 2.051 ( -6.851 7.466 -3.860) 10.843 2.051 ( -6.851 7.466 3.860) 10.843 2.135 ( 4.275 -4.749 -6.505) 9.118 2.135 ( 4.275 -4.749 6.505) 9.118 2.307 ( -0.370 -1.867 -2.893) 3.463 2.307 ( -0.370 -1.867 2.893) 3.463 2.352 ( -3.701 -0.163 -6.883) 7.817 2.352 ( -3.701 -0.163 6.883) 7.817 2.445 ( -1.800 -4.504 -2.355) 5.392 2.445 ( -1.800 -4.504 2.355) 5.392 2.513 ( 1.660 0.964 -1.413) 2.384 2.513 ( 1.660 0.964 1.413) 2.384 2.576 ( -0.370 0.920 -3.624) 3.757 2.576 ( -0.370 0.920 3.624) 3.757 2.694 ( -1.844 -1.630 -0.505) 2.512 2.694 ( -1.844 -1.630 0.505) 2.512 2.737 ( -1.729 -3.376 -2.152) 4.361 2.737 ( -1.729 -3.376 2.152) 4.361 2.849 ( 3.005 -1.613 -2.828) 4.430 2.849 ( 3.005 -1.613 2.828) 4.430 2.898 ( 2.193 -2.608 -0.417) 3.433 2.898 ( 2.193 -2.608 0.417) 3.433 2.984 ( 0.348 -0.445 -0.908) 1.069 2.984 ( 0.348 -0.445 0.908) 1.069 3.158 ( -0.472 -3.877 -6.807) 7.848 3.158 ( -0.472 -3.877 6.807) 7.848 3.208 ( 2.803 -1.980 -2.613) 4.313 3.208 ( 2.803 -1.980 2.613) 4.313 3.252 ( 2.961 -3.168 -1.957) 4.757 3.252 ( 2.961 -3.168 1.957) 4.757 3.314 ( -2.358 -4.322 -2.721) 5.626 3.314 ( -2.358 -4.322 2.721) 5.626 3.402 ( -3.287 -4.534 -1.457) 5.787 3.402 ( -3.287 -4.534 1.457) 5.787 3.643 ( 2.157 0.560 -2.210) 3.139 3.643 ( 2.157 0.560 2.210) 3.139 3.758 ( 3.477 -0.067 -4.902) 6.010 3.758 ( 3.477 -0.067 4.902) 6.010 3.858 ( 0.278 -1.357 -3.791) 4.036 3.858 ( 0.278 -1.357 3.791) 4.036 3.962 ( -2.583 5.367 -0.987) 6.037 3.962 ( -2.583 5.367 0.987) 6.037 4.004 ( -1.408 6.415 -5.179) 8.364 4.004 ( -1.408 6.415 5.179) 8.364 4.130 ( -0.158 8.618 -3.494) 9.301 4.130 ( -0.158 8.618 3.494) 9.301 4.233 ( -6.362 2.217 -5.091) 8.444 4.233 ( -6.362 2.217 5.091) 8.444 4.317 ( -11.855 7.219 -2.535) 14.110 4.317 ( -11.855 7.219 2.535) 14.110 4.650 ( 9.610 -3.659 -4.739) 11.322 4.650 ( 9.610 -3.659 4.739) 11.322 4.806 ( 5.119 -6.090 -6.433) 10.231 4.806 ( 5.119 -6.090 6.433) 10.231 4.921 ( -0.273 -7.274 -3.995) 8.303 4.921 ( -0.273 -7.274 3.995) 8.303 5.009 ( 2.819 0.662 -5.732) 6.422 5.009 ( 2.819 0.662 5.732) 6.422 5.035 ( -3.228 -8.260 -4.487) 9.939 5.035 ( -3.228 -8.260 4.487) 9.939 5.206 ( 0.559 0.506 -3.674) 3.750 5.206 ( 0.559 0.506 3.674) 3.750 5.711 ( 1.238 2.282 -7.844) 8.262 5.711 ( 1.238 2.282 7.844) 8.262 5.800 ( -1.661 -2.095 -5.262) 5.902 5.800 ( -1.661 -2.095 5.262) 5.902 7.279 ( -1.614 7.963 -5.296) 9.698 7.279 ( -1.614 7.963 5.296) 9.698 7.325 ( -3.346 7.798 -4.905) 9.801 7.325 ( -3.346 7.798 4.905) 9.801 7.406 ( 2.665 6.875 -3.986) 8.382 7.406 ( 2.665 6.875 3.986) 8.382 7.473 ( 1.263 8.390 -1.359) 8.593 7.473 ( 1.263 8.390 1.359) 8.593 7.734 ( -0.100 0.298 -5.133) 5.143 7.734 ( -0.100 0.298 5.133) 5.143 7.804 ( 2.596 -3.207 -2.515) 4.833 7.804 ( 2.596 -3.207 2.515) 4.833 7.817 ( -0.577 -1.959 -2.187) 2.992 7.817 ( -0.577 -1.959 2.187) 2.992 7.858 ( 3.171 -4.130 -4.118) 6.639 7.858 ( 3.171 -4.130 4.118) 6.639 7.983 ( -0.753 -3.216 -3.552) 4.850 7.983 ( -0.753 -3.216 3.552) 4.850 8.025 ( -0.051 -2.930 -2.316) 3.735 8.025 ( -0.051 -2.930 2.316) 3.735 8.135 ( 0.193 1.061 -3.728) 3.881 8.135 ( 0.193 1.061 3.728) 3.881 8.332 ( -4.083 -4.868 -0.548) 6.377 8.332 ( -4.083 -4.868 0.548) 6.377 8.705 ( 0.491 0.320 -0.795) 0.987 8.705 ( 0.491 0.320 0.795) 0.987 8.726 ( -0.892 -1.678 -3.710) 4.169 8.726 ( -0.892 -1.678 3.710) 4.169 8.939 ( 2.563 3.628 -2.579) 5.136 8.939 ( 2.563 3.628 2.579) 5.136 9.120 ( -2.027 -4.812 -2.757) 5.905 9.120 ( -2.027 -4.812 2.757) 5.905 9.185 ( -0.156 0.872 -2.431) 2.588 9.185 ( -0.156 0.872 2.431) 2.588 9.240 ( 1.454 -1.243 -2.441) 3.101 9.240 ( 1.454 -1.243 2.441) 3.101 9.372 ( 0.653 2.024 -2.305) 3.136 9.372 ( 0.653 2.024 2.305) 3.136 9.587 ( -0.231 -0.755 -3.366) 3.458 9.587 ( -0.231 -0.755 3.366) 3.458 9.679 ( -4.987 3.669 -8.136) 10.224 9.679 ( -4.987 3.669 8.136) 10.224 9.838 ( -6.790 -0.461 -5.296) 8.623 9.838 ( -6.790 -0.461 5.296) 8.623 10.048 ( 1.250 1.301 -12.084) 12.218 10.048 ( 1.250 1.301 12.084) 12.218 10.089 ( 1.005 -0.537 -11.599) 11.655 10.089 ( 1.005 -0.537 11.599) 11.655 10.535 ( 2.342 -0.743 -4.587) 5.204 10.535 ( 2.342 -0.743 4.587) 5.204 10.664 ( 3.854 -0.154 -4.209) 5.709 10.664 ( 3.854 -0.154 4.209) 5.709 10.699 ( 1.406 -1.035 -0.733) 1.893 10.699 ( 1.406 -1.035 0.733) 1.893 10.934 ( 2.957 -1.993 -6.511) 7.423 10.934 ( 2.957 -1.993 6.511) 7.423 11.123 ( -0.344 1.044 -5.089) 5.207 11.123 ( -0.344 1.044 5.089) 5.207 11.213 ( -2.013 -1.100 -8.310) 8.620 11.213 ( -2.013 -1.100 8.310) 8.620 12.240 ( 3.985 9.148 -4.393) 10.903 12.240 ( 3.985 9.148 4.393) 10.903 12.412 ( 7.411 4.374 -8.622) 12.182 12.412 ( 7.411 4.374 8.622) 12.182 12.718 ( -7.620 -4.377 -8.643) 12.326 12.718 ( -7.620 -4.377 8.643) 12.326 12.818 ( -2.101 -2.738 -2.356) 4.179 12.818 ( -2.101 -2.738 2.356) 4.179 13.456 ( 0.504 -0.006 -9.190) 9.203 13.456 ( 0.504 -0.006 9.190) 9.203 13.507 ( -0.292 -1.533 -2.348) 2.819 13.507 ( -0.292 -1.533 2.348) 2.819 13.875 ( -5.281 0.088 -6.677) 8.513 13.875 ( -5.281 0.088 6.677) 8.513 13.975 ( -7.308 -1.845 -4.545) 8.802 13.975 ( -7.308 -1.845 4.545) 8.802 15.270 ( -0.429 2.746 -4.482) 5.274 15.270 ( -0.429 2.746 4.482) 5.274 15.299 ( -1.629 1.380 -5.533) 5.931 15.299 ( -1.629 1.380 5.533) 5.931 15.510 ( 4.579 3.090 -1.275) 5.669 15.510 ( 4.579 3.090 1.275) 5.669 15.625 ( -1.133 0.278 -4.227) 4.385 15.625 ( -1.133 0.278 4.227) 4.385 15.740 ( 4.984 -1.651 -3.412) 6.262 15.740 ( 4.984 -1.651 3.412) 6.262 15.945 ( 2.075 -6.352 -7.547) 10.081 15.945 ( 2.075 -6.352 7.547) 10.081 16.132 ( 2.406 6.451 -3.735) 7.833 16.132 ( 2.406 6.451 3.735) 7.833 16.300 ( -1.220 0.018 -3.943) 4.127 16.300 ( -1.220 0.018 3.943) 4.127 17.219 ( 4.194 0.706 -1.040) 4.378 17.219 ( 4.194 0.706 1.040) 4.378 17.340 ( 0.651 -4.148 -5.225) 6.703 17.340 ( 0.651 -4.148 5.225) 6.703 17.466 ( -1.895 -1.766 -5.190) 5.800 17.466 ( -1.895 -1.766 5.190) 5.800 17.500 ( -1.944 -1.618 -5.611) 6.155 17.500 ( -1.944 -1.618 5.611) 6.155 18.055 ( 1.286 2.133 -1.389) 2.852 18.055 ( 1.286 2.133 1.389) 2.852 18.165 ( -2.919 -1.750 -0.683) 3.471 18.165 ( -2.919 -1.750 0.683) 3.471 18.255 ( 2.589 -5.668 -5.636) 8.402 18.255 ( 2.589 -5.668 5.636) 8.402 18.369 ( -1.779 -8.621 -5.516) 10.388 18.369 ( -1.779 -8.621 5.516) 10.388 ======================= Grid point 124 (42/45) ======================= q-point: (-0.50 0.38 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -8.249 11.208 -4.518) 14.632 1.839 ( 8.223 11.208 -4.513) 14.616 1.839 ( -8.223 11.208 4.513) 14.616 1.839 ( 8.249 11.208 4.518) 14.632 1.940 ( -7.612 9.168 -6.562) 13.603 1.940 ( 7.496 9.168 -6.547) 13.531 1.940 ( -7.496 9.168 6.547) 13.531 1.940 ( 7.612 9.168 6.562) 13.603 2.272 ( -4.353 -3.838 -8.995) 10.705 2.272 ( 4.270 -3.838 -8.991) 10.668 2.272 ( -4.270 -3.838 8.991) 10.668 2.272 ( 4.353 -3.838 8.995) 10.705 2.342 ( -5.174 -7.184 -3.656) 9.579 2.342 ( 4.167 -7.184 -3.510) 9.016 2.342 ( -4.167 -7.184 3.510) 9.016 2.342 ( 5.174 -7.184 3.656) 9.579 2.536 ( -2.441 -0.856 -2.938) 3.914 2.536 ( 2.402 -0.856 -2.934) 3.888 2.536 ( -2.402 -0.856 2.934) 3.888 2.536 ( 2.441 -0.856 2.938) 3.914 2.702 ( -3.951 -0.748 -2.823) 4.913 2.702 ( 3.832 -0.748 -2.804) 4.807 2.702 ( -3.832 -0.748 2.804) 4.807 2.702 ( 3.951 -0.748 2.823) 4.913 2.903 ( -1.313 -2.979 -3.222) 4.580 2.903 ( 1.229 -2.979 -3.218) 4.554 2.903 ( -1.229 -2.979 3.218) 4.554 2.903 ( 1.313 -2.979 3.222) 4.580 3.077 ( -6.201 -0.795 -5.966) 8.642 3.077 ( 5.555 -0.795 -5.895) 8.139 3.077 ( -5.555 -0.795 5.895) 8.139 3.077 ( 6.201 -0.795 5.966) 8.642 3.245 ( -0.711 -1.470 -2.504) 2.990 3.245 ( 0.584 -1.470 -2.501) 2.959 3.245 ( -0.584 -1.470 2.501) 2.959 3.245 ( 0.711 -1.470 2.504) 2.990 3.346 ( -2.033 -5.734 -2.017) 6.409 3.346 ( 2.018 -5.734 -2.015) 6.404 3.346 ( -2.018 -5.734 2.015) 6.404 3.346 ( 2.033 -5.734 2.017) 6.409 3.722 ( -5.238 -0.391 -2.288) 5.730 3.722 ( 2.488 -0.391 -1.696) 3.036 3.722 ( -2.488 -0.391 1.696) 3.036 3.722 ( 5.238 -0.391 2.288) 5.730 3.914 ( -2.566 1.149 -2.847) 4.001 3.914 ( -0.631 1.149 -2.724) 3.023 3.914 ( 0.631 1.149 2.724) 3.023 3.914 ( 2.566 1.149 2.847) 4.001 4.046 ( -7.788 9.774 -2.955) 12.842 4.046 ( 0.825 9.774 -1.438) 9.914 4.046 ( -0.825 9.774 1.438) 9.914 4.046 ( 7.788 9.774 2.955) 12.842 4.178 ( -3.243 5.681 -6.075) 8.927 4.178 ( 3.171 5.681 -6.071) 8.898 4.178 ( -3.171 5.681 6.071) 8.898 4.178 ( 3.243 5.681 6.075) 8.927 4.801 ( -3.934 -6.299 -4.071) 8.469 4.801 ( 2.510 -6.299 -3.944) 7.844 4.801 ( -2.510 -6.299 3.944) 7.844 4.801 ( 3.934 -6.299 4.071) 8.469 4.949 ( -3.517 -8.599 -3.922) 10.085 4.949 ( 3.476 -8.599 -3.918) 10.069 4.949 ( -3.476 -8.599 3.918) 10.069 4.949 ( 3.517 -8.599 3.922) 10.085 5.142 ( -6.098 2.144 -4.824) 8.066 5.142 ( 6.018 2.144 -4.812) 7.998 5.142 ( -6.018 2.144 4.812) 7.998 5.142 ( 6.098 2.144 4.824) 8.066 5.754 ( -2.525 -0.405 -7.023) 7.474 5.754 ( 2.520 -0.405 -7.023) 7.472 5.754 ( -2.520 -0.405 7.023) 7.472 5.754 ( 2.525 -0.405 7.023) 7.474 7.273 ( -1.181 8.017 -5.483) 9.784 7.273 ( 1.180 8.017 -5.483) 9.784 7.273 ( -1.180 8.017 5.483) 9.784 7.273 ( 1.181 8.017 5.483) 9.784 7.461 ( -1.986 7.721 -2.091) 8.242 7.461 ( 1.630 7.721 -2.057) 8.155 7.461 ( -1.630 7.721 2.057) 8.155 7.461 ( 1.986 7.721 2.091) 8.242 7.759 ( -2.189 -0.285 -7.226) 7.556 7.759 ( 2.053 -0.285 -7.222) 7.514 7.759 ( -2.053 -0.285 7.222) 7.514 7.759 ( 2.189 -0.285 7.226) 7.556 7.892 ( -2.864 -4.148 -4.545) 6.787 7.892 ( 2.598 -4.148 -4.527) 6.667 7.892 ( -2.598 -4.148 4.527) 6.667 7.892 ( 2.864 -4.148 4.545) 6.787 7.985 ( -1.413 -1.909 -3.675) 4.376 7.985 ( 0.201 -1.909 -3.645) 4.120 7.985 ( -0.201 -1.909 3.645) 4.120 7.985 ( 1.413 -1.909 3.675) 4.376 8.210 ( -6.026 -4.872 -1.955) 7.992 8.210 ( -1.982 -4.872 -0.475) 5.281 8.210 ( 1.982 -4.872 0.475) 5.281 8.210 ( 6.026 -4.872 1.955) 7.992 8.712 ( -0.381 0.170 -1.415) 1.475 8.712 ( 0.381 0.170 -1.415) 1.475 8.712 ( -0.381 0.170 1.415) 1.475 8.712 ( 0.381 0.170 1.415) 1.475 9.024 ( -5.056 1.390 -3.305) 6.198 9.024 ( 4.611 1.390 -3.232) 5.800 9.024 ( -4.611 1.390 3.232) 5.800 9.024 ( 5.056 1.390 3.305) 6.198 9.241 ( -2.401 -3.006 -2.487) 4.581 9.241 ( 1.517 -3.006 -2.408) 4.140 9.241 ( -1.517 -3.006 2.408) 4.140 9.241 ( 2.401 -3.006 2.487) 4.581 9.441 ( -6.633 4.814 -6.762) 10.625 9.441 ( 6.542 4.814 -6.752) 10.562 9.441 ( -6.542 4.814 6.752) 10.562 9.441 ( 6.633 4.814 6.762) 10.625 9.721 ( -4.122 0.163 -5.094) 6.555 9.721 ( 3.681 0.163 -5.057) 6.257 9.721 ( -3.681 0.163 5.057) 6.257 9.721 ( 4.122 0.163 5.094) 6.555 10.079 ( -1.496 -0.591 -12.537) 12.640 10.079 ( 1.496 -0.591 -12.537) 12.640 10.079 ( -1.496 -0.591 12.537) 12.640 10.079 ( 1.496 -0.591 12.537) 12.640 10.608 ( -3.487 0.445 -1.056) 3.670 10.608 ( -2.115 0.445 -0.512) 2.221 10.608 ( 2.115 0.445 0.512) 2.221 10.608 ( 3.487 0.445 1.056) 3.670 10.865 ( -7.671 -0.946 -6.362) 10.011 10.865 ( 7.152 -0.946 -6.294) 9.574 10.865 ( -7.152 -0.946 6.294) 9.574 10.865 ( 7.671 -0.946 6.362) 10.011 11.163 ( -2.725 -0.967 -4.035) 4.964 11.163 ( 2.626 -0.967 -4.027) 4.904 11.163 ( -2.626 -0.967 4.027) 4.904 11.163 ( 2.725 -0.967 4.035) 4.964 12.400 ( -7.220 5.794 -5.399) 10.717 12.400 ( -0.379 5.794 -4.835) 7.556 12.400 ( 0.379 5.794 4.835) 7.556 12.400 ( 7.220 5.794 5.399) 10.717 12.706 ( -7.366 -2.859 -7.029) 10.575 12.706 ( 7.113 -2.859 -7.000) 10.381 12.706 ( -7.113 -2.859 7.000) 10.381 12.706 ( 7.366 -2.859 7.029) 10.575 13.478 ( -0.850 -0.427 -14.584) 14.615 13.478 ( 0.743 -0.427 -14.583) 14.608 13.478 ( -0.743 -0.427 14.583) 14.608 13.478 ( 0.850 -0.427 14.584) 14.615 13.851 ( -1.944 -1.545 -10.015) 10.318 13.851 ( 1.380 -1.545 -10.004) 10.216 13.851 ( -1.380 -1.545 10.004) 10.216 13.851 ( 1.944 -1.545 10.015) 10.318 15.272 ( -0.669 2.095 -5.419) 5.848 15.272 ( 0.657 2.095 -5.419) 5.847 15.272 ( -0.657 2.095 5.419) 5.847 15.272 ( 0.669 2.095 5.419) 5.848 15.588 ( -1.968 2.385 -4.787) 5.699 15.588 ( 1.397 2.385 -4.764) 5.508 15.588 ( -1.397 2.385 4.764) 5.508 15.588 ( 1.968 2.385 4.787) 5.699 15.872 ( -6.484 -1.628 -3.436) 7.516 15.872 ( 6.476 -1.628 -3.434) 7.509 15.872 ( -6.476 -1.628 3.434) 7.509 15.872 ( 6.484 -1.628 3.436) 7.516 16.239 ( -4.905 0.912 -4.173) 6.504 16.239 ( 4.784 0.912 -4.157) 6.403 16.239 ( -4.784 0.912 4.157) 6.403 16.239 ( 4.905 0.912 4.173) 6.504 17.314 ( -3.662 -3.786 -0.703) 5.314 17.314 ( -3.046 -3.786 0.187) 4.863 17.314 ( 3.046 -3.786 -0.187) 4.863 17.314 ( 3.662 -3.786 0.703) 5.314 17.456 ( -1.473 -1.001 -7.002) 7.225 17.456 ( 1.442 -1.001 -7.001) 7.218 17.456 ( -1.442 -1.001 7.001) 7.218 17.456 ( 1.473 -1.001 7.002) 7.225 18.100 ( -2.920 0.460 -0.818) 3.068 18.100 ( -2.236 0.460 0.527) 2.343 18.100 ( 2.236 0.460 -0.527) 2.343 18.100 ( 2.920 0.460 0.818) 3.068 18.317 ( -2.725 -6.954 -6.727) 10.052 18.317 ( 2.506 -6.954 -6.718) 9.988 18.317 ( -2.506 -6.954 6.718) 9.988 18.317 ( 2.725 -6.954 6.727) 10.052 ======================= Grid point 130 (43/45) ======================= q-point: ( 0.00 -0.50 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 -9.906 -6.033) 11.599 1.727 ( 0.000 -9.906 6.033) 11.599 1.727 ( 0.000 9.906 -6.033) 11.599 1.727 ( 0.000 9.906 6.033) 11.599 1.913 ( 0.000 -10.503 -11.652) 15.687 1.913 ( 0.000 10.503 -11.652) 15.687 1.913 ( 0.000 -10.503 11.652) 15.687 1.913 ( 0.000 10.503 11.652) 15.687 2.310 ( 0.000 -7.133 -3.565) 7.974 2.310 ( 0.000 -7.133 3.565) 7.974 2.310 ( 0.000 7.133 -3.565) 7.974 2.310 ( 0.000 7.133 3.565) 7.974 2.398 ( 0.000 -0.344 -3.924) 3.939 2.398 ( 0.000 0.344 -3.924) 3.939 2.398 ( 0.000 -0.344 3.924) 3.939 2.398 ( 0.000 0.344 3.924) 3.939 2.560 ( 0.000 -1.673 -2.512) 3.018 2.560 ( 0.000 1.673 -2.512) 3.018 2.560 ( 0.000 -1.673 2.512) 3.018 2.560 ( 0.000 1.673 2.512) 3.018 2.678 ( 0.000 -1.650 -1.692) 2.364 2.678 ( 0.000 1.650 -1.692) 2.364 2.678 ( 0.000 -1.650 1.692) 2.364 2.678 ( 0.000 1.650 1.692) 2.364 2.882 ( 0.000 -0.234 -3.118) 3.127 2.882 ( 0.000 0.234 -3.118) 3.127 2.882 ( 0.000 -0.234 3.118) 3.127 2.882 ( 0.000 0.234 3.118) 3.127 2.987 ( 0.000 -5.050 -9.188) 10.485 2.987 ( 0.000 5.050 -9.188) 10.485 2.987 ( 0.000 -5.050 9.188) 10.485 2.987 ( 0.000 5.050 9.188) 10.485 3.157 ( 0.000 -0.904 -5.505) 5.578 3.157 ( 0.000 0.904 -5.505) 5.578 3.157 ( 0.000 -0.904 5.505) 5.578 3.157 ( 0.000 0.904 5.505) 5.578 3.379 ( 0.000 -0.207 -4.971) 4.975 3.379 ( 0.000 0.207 -4.971) 4.975 3.379 ( 0.000 -0.207 4.971) 4.975 3.379 ( 0.000 0.207 4.971) 4.975 3.636 ( 0.000 -0.627 -2.067) 2.160 3.636 ( 0.000 0.627 -2.067) 2.160 3.636 ( 0.000 -0.627 2.067) 2.160 3.636 ( 0.000 0.627 2.067) 2.160 3.952 ( 0.000 -0.142 -1.763) 1.768 3.952 ( 0.000 -0.142 1.763) 1.768 3.952 ( 0.000 0.142 -1.763) 1.768 3.952 ( 0.000 0.142 1.763) 1.768 4.183 ( 0.000 -1.730 -3.691) 4.076 4.183 ( 0.000 1.730 -3.691) 4.076 4.183 ( 0.000 -1.730 3.691) 4.076 4.183 ( 0.000 1.730 3.691) 4.076 4.434 ( 0.000 -3.201 -7.395) 8.058 4.434 ( 0.000 3.201 -7.395) 8.058 4.434 ( 0.000 -3.201 7.395) 8.058 4.434 ( 0.000 3.201 7.395) 8.058 4.594 ( 0.000 -0.978 -9.478) 9.528 4.594 ( 0.000 0.978 -9.478) 9.528 4.594 ( 0.000 -0.978 9.478) 9.528 4.594 ( 0.000 0.978 9.478) 9.528 4.885 ( 0.000 -0.033 -3.869) 3.869 4.885 ( 0.000 0.033 -3.869) 3.869 4.885 ( 0.000 -0.033 3.869) 3.869 4.885 ( 0.000 0.033 3.869) 3.869 5.097 ( 0.000 -0.162 -4.386) 4.389 5.097 ( 0.000 0.162 -4.386) 4.389 5.097 ( 0.000 -0.162 4.386) 4.389 5.097 ( 0.000 0.162 4.386) 4.389 5.769 ( 0.000 -2.732 -7.200) 7.701 5.769 ( 0.000 2.732 -7.200) 7.701 5.769 ( 0.000 -2.732 7.200) 7.701 5.769 ( 0.000 2.732 7.200) 7.701 7.424 ( 0.000 -1.817 -3.972) 4.368 7.424 ( 0.000 1.817 -3.972) 4.368 7.424 ( 0.000 -1.817 3.972) 4.368 7.424 ( 0.000 1.817 3.972) 4.368 7.486 ( 0.000 -2.578 -5.941) 6.476 7.486 ( 0.000 2.578 -5.941) 6.476 7.486 ( 0.000 -2.578 5.941) 6.476 7.486 ( 0.000 2.578 5.941) 6.476 7.714 ( 0.000 -1.044 -4.130) 4.260 7.714 ( 0.000 1.045 -4.130) 4.260 7.714 ( 0.000 -1.044 4.130) 4.260 7.714 ( 0.000 1.045 4.130) 4.260 7.826 ( 0.000 -1.456 -5.158) 5.360 7.826 ( 0.000 1.456 -5.158) 5.360 7.826 ( 0.000 -1.456 5.158) 5.360 7.826 ( 0.000 1.456 5.158) 5.360 7.955 ( 0.000 -0.847 -3.430) 3.533 7.955 ( 0.000 0.847 -3.430) 3.533 7.955 ( 0.000 -0.847 3.430) 3.533 7.955 ( 0.000 0.847 3.430) 3.533 8.260 ( 0.000 -7.072 -3.119) 7.729 8.260 ( 0.000 -7.072 3.119) 7.729 8.260 ( 0.000 7.072 -3.119) 7.729 8.260 ( 0.000 7.072 3.119) 7.729 8.702 ( 0.000 -0.556 -2.711) 2.767 8.702 ( 0.000 0.556 -2.711) 2.767 8.702 ( 0.000 -0.556 2.711) 2.767 8.702 ( 0.000 0.556 2.711) 2.767 9.008 ( 0.000 -5.082 -3.297) 6.058 9.008 ( 0.000 -5.082 3.297) 6.058 9.008 ( 0.000 5.082 -3.297) 6.058 9.008 ( 0.000 5.082 3.297) 6.058 9.216 ( 0.000 -1.291 -3.434) 3.668 9.216 ( 0.000 1.291 -3.434) 3.668 9.216 ( 0.000 -1.291 3.434) 3.668 9.216 ( 0.000 1.291 3.434) 3.668 9.448 ( 0.000 -3.289 -1.020) 3.444 9.448 ( 0.000 -3.289 1.020) 3.444 9.448 ( 0.000 3.289 -1.020) 3.444 9.448 ( 0.000 3.289 1.020) 3.444 9.873 ( 0.000 -3.808 -8.558) 9.367 9.873 ( 0.000 3.808 -8.558) 9.367 9.873 ( 0.000 -3.808 8.558) 9.367 9.873 ( 0.000 3.808 8.558) 9.367 10.063 ( 0.000 -0.110 -9.675) 9.675 10.063 ( 0.000 0.110 -9.675) 9.675 10.063 ( 0.000 -0.110 9.675) 9.675 10.063 ( 0.000 0.110 9.675) 9.675 10.523 ( 0.000 -0.013 -2.590) 2.590 10.523 ( 0.000 0.013 -2.590) 2.590 10.523 ( 0.000 -0.013 2.590) 2.590 10.523 ( 0.000 0.013 2.590) 2.590 10.784 ( 0.000 -1.175 -6.844) 6.945 10.784 ( 0.000 1.175 -6.844) 6.945 10.784 ( 0.000 -1.175 6.844) 6.945 10.784 ( 0.000 1.175 6.844) 6.945 11.194 ( 0.000 -2.622 -8.160) 8.571 11.194 ( 0.000 2.622 -8.160) 8.571 11.194 ( 0.000 -2.622 8.160) 8.571 11.194 ( 0.000 2.622 8.160) 8.571 12.355 ( 0.000 -1.491 -8.701) 8.828 12.355 ( 0.000 1.491 -8.701) 8.828 12.355 ( 0.000 -1.491 8.701) 8.828 12.355 ( 0.000 1.491 8.701) 8.828 12.763 ( 0.000 -0.093 -9.076) 9.076 12.763 ( 0.000 0.093 -9.076) 9.076 12.763 ( 0.000 -0.093 9.076) 9.076 12.763 ( 0.000 0.093 9.076) 9.076 13.471 ( 0.000 -0.992 -9.127) 9.181 13.471 ( 0.000 0.992 -9.127) 9.181 13.471 ( 0.000 -0.992 9.127) 9.181 13.471 ( 0.000 0.992 9.127) 9.181 14.008 ( 0.000 -3.040 -9.589) 10.059 14.008 ( 0.000 3.040 -9.589) 10.059 14.008 ( 0.000 -3.040 9.589) 10.059 14.008 ( 0.000 3.040 9.589) 10.059 15.321 ( 0.000 -1.073 -6.013) 6.108 15.321 ( 0.000 1.073 -6.013) 6.108 15.321 ( 0.000 -1.073 6.013) 6.108 15.321 ( 0.000 1.073 6.013) 6.108 15.522 ( 0.000 -4.808 -1.738) 5.112 15.522 ( 0.000 -4.808 1.738) 5.112 15.522 ( 0.000 4.808 -1.738) 5.112 15.522 ( 0.000 4.808 1.738) 5.112 15.766 ( 0.000 -2.941 -9.891) 10.319 15.766 ( 0.000 2.941 -9.891) 10.319 15.766 ( 0.000 -2.941 9.891) 10.319 15.766 ( 0.000 2.941 9.891) 10.319 16.260 ( 0.000 -4.454 -3.168) 5.465 16.260 ( 0.000 4.454 -3.168) 5.465 16.260 ( 0.000 -4.454 3.168) 5.465 16.260 ( 0.000 4.454 3.168) 5.465 17.248 ( 0.000 -4.347 -3.496) 5.578 17.248 ( 0.000 4.347 -3.496) 5.578 17.248 ( 0.000 -4.347 3.496) 5.578 17.248 ( 0.000 4.347 3.497) 5.578 17.487 ( 0.000 -1.493 -5.620) 5.815 17.487 ( 0.000 1.493 -5.620) 5.815 17.487 ( 0.000 -1.493 5.620) 5.815 17.487 ( 0.000 1.493 5.620) 5.815 18.109 ( 0.000 -4.421 -0.944) 4.520 18.109 ( 0.000 -4.421 0.944) 4.520 18.109 ( 0.000 4.421 -0.944) 4.520 18.109 ( 0.000 4.421 0.944) 4.520 18.243 ( 0.000 -4.892 -2.981) 5.729 18.243 ( 0.000 -4.892 2.981) 5.729 18.243 ( 0.000 4.892 -2.981) 5.729 18.243 ( 0.000 4.892 2.981) 5.729 ======================= Grid point 134 (44/45) ======================= q-point: ( 0.25 -0.50 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 10.539 0.000 -5.479) 11.878 1.855 ( 10.539 0.000 5.479) 11.878 1.860 ( 10.213 -0.000 -8.292) 13.155 1.860 ( 10.213 -0.000 8.292) 13.155 1.948 ( 3.844 0.000 -11.431) 12.060 1.948 ( 3.844 -0.000 11.431) 12.060 1.966 ( 4.705 0.000 -11.717) 12.627 1.966 ( 4.705 0.000 11.717) 12.627 2.235 ( -5.803 0.000 -5.108) 7.731 2.235 ( -5.803 0.000 5.108) 7.731 2.273 ( -3.738 -0.000 -2.677) 4.598 2.273 ( -3.738 0.000 2.677) 4.598 2.327 ( -3.287 0.000 -4.237) 5.362 2.327 ( -3.287 0.000 4.237) 5.362 2.348 ( -6.410 0.000 -10.994) 12.726 2.348 ( -6.410 -0.000 10.994) 12.726 2.528 ( -0.070 -0.000 -2.420) 2.421 2.528 ( -0.070 0.000 2.420) 2.421 2.604 ( -0.042 0.000 -3.691) 3.692 2.604 ( -0.042 0.000 3.691) 3.692 2.688 ( -0.867 -0.000 -2.163) 2.330 2.688 ( -0.867 0.000 2.163) 2.330 2.699 ( 0.368 -0.000 -2.452) 2.479 2.699 ( 0.368 0.000 2.452) 2.479 2.819 ( -1.007 0.000 -0.480) 1.116 2.819 ( -1.007 0.000 0.480) 1.116 2.885 ( 0.546 0.000 -1.531) 1.625 2.885 ( 0.546 0.000 1.531) 1.625 3.032 ( 3.300 0.000 -3.719) 4.971 3.032 ( 3.300 0.000 3.719) 4.971 3.034 ( 2.262 -0.000 -9.030) 9.309 3.034 ( 2.262 -0.000 9.030) 9.309 3.194 ( 3.038 0.000 -1.333) 3.318 3.194 ( 3.038 0.000 1.333) 3.318 3.215 ( 3.942 0.000 -3.000) 4.954 3.215 ( 3.942 0.000 3.000) 4.954 3.278 ( -3.897 0.000 -3.265) 5.084 3.278 ( -3.897 0.000 3.265) 5.084 3.359 ( -4.438 0.000 -1.375) 4.646 3.359 ( -4.438 0.000 1.375) 4.646 3.648 ( 3.640 0.000 -2.551) 4.444 3.648 ( 3.640 0.000 2.551) 4.444 3.739 ( 2.942 -0.000 -1.671) 3.384 3.739 ( 2.942 0.000 1.671) 3.384 3.852 ( -1.116 0.000 -0.600) 1.267 3.852 ( -1.116 0.000 0.600) 1.267 4.003 ( -4.057 0.000 -1.904) 4.482 4.003 ( -4.057 0.000 1.904) 4.482 4.103 ( 1.484 0.000 -4.228) 4.481 4.103 ( 1.484 0.000 4.228) 4.481 4.241 ( -0.282 -0.000 -3.655) 3.666 4.241 ( -0.282 0.000 3.655) 3.666 4.297 ( -4.531 0.000 -7.322) 8.611 4.297 ( -4.531 0.000 7.322) 8.611 4.391 ( -9.334 0.000 -7.120) 11.739 4.391 ( -9.334 0.000 7.120) 11.739 4.614 ( 7.462 0.000 -7.322) 10.454 4.614 ( 7.462 0.000 7.322) 10.454 4.723 ( 2.850 0.000 -7.439) 7.966 4.723 ( 2.850 0.000 7.439) 7.966 4.798 ( -1.652 -0.000 -2.973) 3.401 4.798 ( -1.652 -0.000 2.973) 3.402 4.927 ( -5.529 0.000 -4.198) 6.942 4.927 ( -5.529 0.000 4.198) 6.942 5.038 ( 6.252 0.000 -6.029) 8.685 5.038 ( 6.252 0.000 6.029) 8.685 5.210 ( 2.133 0.000 -4.735) 5.193 5.210 ( 2.133 0.000 4.735) 5.193 5.746 ( -0.701 0.000 -8.010) 8.041 5.746 ( -0.701 0.000 8.010) 8.041 5.772 ( -0.579 -0.000 -7.991) 8.012 5.772 ( -0.579 0.000 7.991) 8.012 7.384 ( -2.246 0.000 -5.520) 5.959 7.384 ( -2.246 0.000 5.520) 5.959 7.390 ( -2.129 -0.000 -7.533) 7.828 7.390 ( -2.129 0.000 7.533) 7.828 7.502 ( 2.428 0.000 -7.190) 7.588 7.502 ( 2.428 0.000 7.190) 7.588 7.561 ( 3.173 0.000 -3.308) 4.584 7.561 ( 3.173 0.000 3.308) 4.584 7.736 ( 0.132 -0.000 -3.307) 3.309 7.736 ( 0.132 0.000 3.307) 3.309 7.741 ( 1.980 -0.000 -4.751) 5.147 7.741 ( 1.980 0.000 4.751) 5.147 7.793 ( 1.296 0.000 -1.213) 1.775 7.793 ( 1.296 0.000 1.213) 1.775 7.823 ( -1.132 0.000 -8.012) 8.092 7.823 ( -1.132 0.000 8.012) 8.092 7.947 ( -0.583 -0.000 -4.687) 4.723 7.947 ( -0.583 0.000 4.687) 4.723 7.984 ( 1.787 0.000 -3.190) 3.656 7.984 ( 1.787 0.000 3.190) 3.656 8.211 ( -3.531 0.000 -4.245) 5.522 8.211 ( -3.531 -0.000 4.245) 5.522 8.217 ( -4.481 -0.000 -2.363) 5.065 8.217 ( -4.481 0.000 2.363) 5.065 8.709 ( 0.653 0.000 -1.681) 1.804 8.709 ( 0.653 -0.000 1.681) 1.804 8.711 ( 0.443 -0.000 -3.005) 3.038 8.711 ( 0.443 0.000 3.005) 3.038 9.018 ( 0.651 -0.000 -3.933) 3.986 9.018 ( 0.651 0.000 3.933) 3.986 9.025 ( 1.712 0.000 -2.577) 3.094 9.025 ( 1.712 0.000 2.577) 3.094 9.208 ( 0.545 0.000 -0.417) 0.686 9.208 ( 0.545 0.000 0.417) 0.686 9.212 ( -1.501 -0.000 -4.677) 4.912 9.212 ( -1.501 0.000 4.677) 4.912 9.407 ( 1.927 0.000 -2.104) 2.853 9.407 ( 1.927 0.000 2.104) 2.853 9.565 ( 3.487 0.000 -2.113) 4.078 9.565 ( 3.487 0.000 2.113) 4.078 9.725 ( -7.902 0.000 -10.796) 13.379 9.725 ( -7.902 0.000 10.796) 13.379 9.821 ( -5.136 -0.000 -3.339) 6.126 9.821 ( -5.136 0.000 3.339) 6.126 10.072 ( 0.212 0.000 -13.262) 13.263 10.072 ( 0.212 0.000 13.262) 13.263 10.081 ( 0.239 0.000 -12.443) 12.445 10.081 ( 0.239 0.000 12.443) 12.445 10.525 ( 3.187 0.000 -4.159) 5.239 10.525 ( 3.187 0.000 4.159) 5.239 10.657 ( 7.886 -0.000 -2.795) 8.367 10.657 ( 7.886 0.000 2.795) 8.367 10.700 ( -2.175 0.000 -3.383) 4.022 10.700 ( -2.175 0.000 3.383) 4.022 10.908 ( 3.882 0.000 -8.517) 9.360 10.908 ( 3.882 0.000 8.517) 9.360 11.139 ( -2.567 0.000 -4.666) 5.326 11.139 ( -2.567 0.000 4.666) 5.326 11.196 ( -1.086 0.000 -9.365) 9.428 11.196 ( -1.086 0.000 9.365) 9.428 12.371 ( 2.763 0.000 -7.187) 7.700 12.371 ( 2.763 0.000 7.187) 7.700 12.429 ( 6.127 -0.000 -6.887) 9.218 12.429 ( 6.127 0.000 6.887) 9.218 12.679 ( -5.748 0.000 -7.245) 9.249 12.679 ( -5.748 0.000 7.245) 9.249 12.776 ( -1.677 0.000 -4.881) 5.161 12.776 ( -1.677 0.000 4.881) 5.161 13.461 ( 0.388 0.000 -14.329) 14.334 13.461 ( 0.388 -0.000 14.329) 14.334 13.488 ( -0.196 0.000 -7.580) 7.583 13.488 ( -0.196 0.000 7.580) 7.583 13.876 ( -6.611 0.000 -11.469) 13.238 13.876 ( -6.611 0.000 11.469) 13.238 13.954 ( -6.514 0.000 -9.762) 11.736 13.954 ( -6.514 0.000 9.762) 11.736 15.306 ( -0.999 0.000 -6.153) 6.233 15.306 ( -0.999 -0.000 6.153) 6.233 15.307 ( -1.056 -0.000 -6.156) 6.246 15.307 ( -1.056 0.000 6.156) 6.246 15.557 ( 3.267 0.000 -1.232) 3.492 15.557 ( 3.267 -0.000 1.232) 3.492 15.603 ( 3.696 0.000 -4.499) 5.822 15.603 ( 3.696 -0.000 4.499) 5.822 15.733 ( 2.831 0.000 -6.492) 7.083 15.733 ( 2.831 0.000 6.492) 7.083 15.877 ( 3.738 0.000 -8.310) 9.113 15.877 ( 3.738 0.000 8.310) 9.113 16.218 ( -0.770 0.000 -4.908) 4.968 16.218 ( -0.770 0.000 4.908) 4.968 16.285 ( -0.110 0.000 -2.470) 2.472 16.285 ( -0.110 -0.000 2.470) 2.472 17.252 ( 0.900 0.000 -2.588) 2.740 17.252 ( 0.900 0.000 2.588) 2.740 17.268 ( 1.091 -0.000 -2.979) 3.173 17.268 ( 1.091 -0.000 2.979) 3.173 17.460 ( -1.644 0.000 -4.484) 4.776 17.460 ( -1.644 0.000 4.484) 4.776 17.476 ( -1.457 0.000 -7.315) 7.459 17.476 ( -1.457 0.000 7.315) 7.459 18.102 ( 0.250 0.000 -0.559) 0.613 18.102 ( 0.250 0.000 0.560) 0.613 18.128 ( 0.448 0.000 -1.027) 1.120 18.128 ( 0.448 -0.000 1.027) 1.120 18.217 ( -0.481 -0.000 -3.955) 3.984 18.217 ( -0.481 0.000 3.955) 3.984 18.255 ( -0.285 0.000 -3.906) 3.916 18.255 ( -0.285 0.000 3.906) 3.916 ======================= Grid point 138 (45/45) ======================= q-point: (-0.50 -0.50 -0.50) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -0.413 0.000 -9.682) 9.690 1.986 ( 0.413 0.000 -9.682) 9.690 1.986 ( -0.413 0.000 9.682) 9.690 1.986 ( 0.413 0.000 9.682) 9.690 2.075 ( -1.777 0.000 -5.037) 5.341 2.075 ( 1.777 0.000 -5.037) 5.341 2.075 ( -1.777 0.000 5.037) 5.341 2.075 ( 1.777 0.000 5.037) 5.341 2.175 ( -4.190 0.000 -5.765) 7.127 2.175 ( 4.190 0.000 -5.765) 7.127 2.175 ( -4.190 0.000 5.765) 7.127 2.175 ( 4.190 0.000 5.765) 7.127 2.249 ( -1.295 0.000 -5.208) 5.366 2.249 ( 1.295 0.000 -5.208) 5.366 2.249 ( -1.295 0.000 5.208) 5.366 2.249 ( 1.295 0.000 5.208) 5.366 2.545 ( -2.830 0.000 -2.189) 3.578 2.545 ( 2.830 0.000 -2.189) 3.578 2.545 ( -2.830 0.000 2.189) 3.578 2.545 ( 2.830 0.000 2.189) 3.578 2.680 ( -1.318 0.000 -2.516) 2.840 2.680 ( 1.318 -0.000 -2.516) 2.840 2.680 ( -1.318 0.000 2.516) 2.840 2.680 ( 1.318 0.000 2.516) 2.840 2.871 ( -2.746 0.000 -0.725) 2.840 2.871 ( -2.746 0.000 0.725) 2.840 2.871 ( 2.746 0.000 -0.725) 2.840 2.871 ( 2.746 0.000 0.725) 2.840 3.071 ( -0.651 0.000 -8.177) 8.203 3.071 ( 0.651 0.000 -8.177) 8.203 3.071 ( -0.651 0.000 8.177) 8.203 3.071 ( 0.651 0.000 8.177) 8.203 3.223 ( -0.259 0.000 -0.442) 0.512 3.223 ( 0.259 0.000 -0.442) 0.512 3.223 ( -0.259 0.000 0.442) 0.512 3.223 ( 0.259 0.000 0.442) 0.512 3.292 ( -1.768 0.000 -3.476) 3.900 3.292 ( 1.768 0.000 -3.476) 3.900 3.292 ( -1.768 0.000 3.476) 3.900 3.292 ( 1.768 0.000 3.476) 3.900 3.714 ( -3.554 0.000 -1.848) 4.006 3.714 ( 3.554 0.000 -1.848) 4.006 3.714 ( -3.554 0.000 1.848) 4.006 3.714 ( 3.554 0.000 1.848) 4.006 3.916 ( -4.516 0.000 -1.381) 4.722 3.916 ( -4.516 0.000 1.381) 4.722 3.916 ( 4.516 0.000 -1.381) 4.722 3.916 ( 4.516 0.000 1.381) 4.722 4.166 ( -4.819 0.000 -2.273) 5.328 4.166 ( 4.819 0.000 -2.273) 5.328 4.166 ( -4.819 0.000 2.273) 5.328 4.166 ( 4.819 0.000 2.273) 5.328 4.271 ( -2.006 0.000 -8.350) 8.587 4.271 ( 2.006 0.000 -8.350) 8.587 4.271 ( -2.006 0.000 8.350) 8.587 4.271 ( 2.006 0.000 8.350) 8.587 4.714 ( -2.611 0.000 -3.168) 4.105 4.714 ( 2.611 0.000 -3.168) 4.105 4.714 ( -2.611 0.000 3.168) 4.105 4.714 ( 2.611 -0.000 3.168) 4.105 4.832 ( -3.793 0.000 -5.566) 6.736 4.832 ( 3.793 0.000 -5.566) 6.736 4.832 ( -3.793 -0.000 5.566) 6.736 4.832 ( 3.793 -0.000 5.566) 6.736 5.171 ( -5.200 0.000 -5.424) 7.514 5.171 ( 5.200 0.000 -5.424) 7.514 5.171 ( -5.200 0.000 5.424) 7.514 5.171 ( 5.200 0.000 5.424) 7.514 5.752 ( -1.041 0.000 -8.821) 8.882 5.752 ( 1.041 0.000 -8.821) 8.882 5.752 ( -1.041 0.000 8.821) 8.882 5.752 ( 1.041 0.000 8.821) 8.882 7.361 ( -0.254 0.000 -7.000) 7.005 7.361 ( 0.254 0.000 -7.000) 7.005 7.361 ( -0.254 0.000 7.000) 7.005 7.361 ( 0.254 -0.000 7.000) 7.005 7.562 ( -2.618 0.000 -4.665) 5.349 7.562 ( 2.618 0.000 -4.665) 5.349 7.562 ( -2.618 0.000 4.665) 5.349 7.562 ( 2.618 0.000 4.665) 5.349 7.743 ( -1.286 0.000 -5.513) 5.661 7.743 ( 1.286 0.000 -5.513) 5.661 7.743 ( -1.286 0.000 5.513) 5.661 7.743 ( 1.286 0.000 5.513) 5.661 7.832 ( -0.688 -0.000 -3.915) 3.975 7.832 ( 0.688 0.000 -3.915) 3.975 7.832 ( -0.688 0.000 3.915) 3.975 7.832 ( 0.688 -0.000 3.915) 3.975 7.973 ( -3.462 0.000 -2.146) 4.073 7.973 ( 3.462 0.000 -2.146) 4.073 7.973 ( -3.462 0.000 2.146) 4.073 7.973 ( 3.462 0.000 2.146) 4.073 8.151 ( -0.665 0.000 -3.362) 3.427 8.151 ( 0.665 -0.000 -3.362) 3.427 8.151 ( -0.665 0.000 3.362) 3.427 8.151 ( 0.665 0.000 3.362) 3.427 8.716 ( -0.017 0.000 -0.479) 0.479 8.716 ( 0.017 0.000 -0.479) 0.479 8.716 ( -0.017 0.000 0.479) 0.479 8.716 ( 0.017 0.000 0.479) 0.479 9.038 ( -0.887 0.000 -3.174) 3.296 9.038 ( 0.887 0.000 -3.174) 3.296 9.038 ( -0.887 0.000 3.174) 3.296 9.038 ( 0.887 0.000 3.174) 3.296 9.209 ( -0.890 0.000 -2.540) 2.691 9.209 ( 0.890 0.000 -2.540) 2.691 9.209 ( -0.890 0.000 2.540) 2.691 9.209 ( 0.890 0.000 2.540) 2.691 9.489 ( -5.883 0.000 -5.669) 8.170 9.489 ( 5.883 0.000 -5.669) 8.170 9.489 ( -5.883 0.000 5.669) 8.170 9.489 ( 5.883 0.000 5.669) 8.170 9.721 ( -4.067 0.000 -3.060) 5.090 9.721 ( 4.067 0.000 -3.060) 5.090 9.721 ( -4.067 0.000 3.060) 5.090 9.721 ( 4.067 0.000 3.060) 5.090 10.074 ( -0.340 0.000 -13.877) 13.881 10.074 ( 0.340 0.000 -13.877) 13.881 10.074 ( -0.340 0.000 13.877) 13.881 10.074 ( 0.340 0.000 13.877) 13.881 10.616 ( -4.643 0.000 -0.369) 4.657 10.616 ( -4.643 0.000 0.369) 4.657 10.616 ( 4.643 0.000 -0.369) 4.657 10.616 ( 4.643 0.000 0.369) 4.657 10.851 ( -8.005 0.000 -7.564) 11.013 10.851 ( 8.005 0.000 -7.564) 11.013 10.851 ( -8.005 0.000 7.564) 11.013 10.851 ( 8.005 0.000 7.564) 11.013 11.153 ( -2.741 0.000 -4.670) 5.415 11.153 ( 2.741 0.000 -4.670) 5.415 11.153 ( -2.741 0.000 4.670) 5.415 11.153 ( 2.741 0.000 4.670) 5.415 12.471 ( -5.487 0.000 -5.649) 7.875 12.471 ( 5.487 0.000 -5.649) 7.875 12.471 ( -5.487 0.000 5.649) 7.875 12.471 ( 5.487 0.000 5.649) 7.875 12.666 ( -7.303 -0.000 -7.986) 10.822 12.666 ( 7.303 0.000 -7.986) 10.822 12.666 ( -7.303 0.000 7.986) 10.822 12.666 ( 7.303 0.000 7.986) 10.822 13.474 ( -0.647 0.000 -15.199) 15.213 13.474 ( 0.647 0.000 -15.199) 15.213 13.474 ( -0.647 0.000 15.199) 15.213 13.474 ( 0.647 0.000 15.199) 15.213 13.834 ( -2.918 0.000 -10.961) 11.342 13.834 ( 2.918 0.000 -10.961) 11.342 13.834 ( -2.918 0.000 10.961) 11.342 13.834 ( 2.918 0.000 10.961) 11.342 15.294 ( -0.017 0.000 -6.283) 6.283 15.294 ( 0.017 0.000 -6.283) 6.283 15.294 ( -0.017 0.000 6.283) 6.283 15.294 ( 0.017 0.000 6.283) 6.283 15.613 ( -1.659 0.000 -4.771) 5.051 15.613 ( 1.659 0.000 -4.771) 5.051 15.613 ( -1.659 0.000 4.771) 5.051 15.613 ( 1.659 0.000 4.771) 5.051 15.852 ( -5.506 0.000 -3.315) 6.427 15.852 ( 5.506 0.000 -3.315) 6.427 15.852 ( -5.506 0.000 3.315) 6.427 15.852 ( 5.506 0.000 3.315) 6.427 16.251 ( -2.800 0.000 -3.499) 4.482 16.251 ( 2.800 0.000 -3.499) 4.482 16.251 ( -2.800 0.000 3.499) 4.482 16.251 ( 2.800 0.000 3.499) 4.482 17.275 ( -0.746 0.000 -0.876) 1.150 17.275 ( 0.746 0.000 -0.876) 1.150 17.275 ( -0.746 0.000 0.876) 1.150 17.275 ( 0.746 0.000 0.876) 1.150 17.446 ( -0.727 0.000 -6.862) 6.900 17.446 ( 0.727 0.000 -6.862) 6.901 17.446 ( -0.727 0.000 6.862) 6.901 17.446 ( 0.727 0.000 6.862) 6.901 18.117 ( -1.044 0.000 -0.759) 1.290 18.117 ( 1.044 0.000 -0.759) 1.290 18.117 ( -1.044 0.000 0.759) 1.290 18.117 ( 1.044 0.000 0.759) 1.290 18.233 ( -1.487 0.000 -4.750) 4.978 18.233 ( 1.487 0.000 -4.750) 4.978 18.233 ( -1.487 -0.000 4.750) 4.978 18.233 ( 1.487 0.000 4.750) 4.978 =================== 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 3/23040 10.0 3537.889 3610.938 3410.526 0.000 0.000 -0.000 3/23040 20.0 430.063 404.882 449.178 0.000 0.000 0.000 3/23040 30.0 159.144 144.553 166.399 0.000 0.000 0.000 3/23040 40.0 86.112 77.758 89.847 0.000 0.000 0.000 3/23040 50.0 55.678 50.379 57.968 0.000 0.000 0.000 3/23040 60.0 39.742 36.091 41.287 0.000 0.000 0.000 3/23040 70.0 30.211 27.541 31.321 0.000 0.000 0.000 3/23040 80.0 24.008 21.967 24.844 0.000 0.000 0.000 3/23040 90.0 19.727 18.112 20.382 0.000 0.000 0.000 3/23040 100.0 16.638 15.323 17.169 0.000 0.000 0.000 3/23040 110.0 14.331 13.234 14.773 0.000 0.000 0.000 3/23040 120.0 12.556 11.622 12.934 0.000 0.000 0.000 3/23040 130.0 11.157 10.349 11.487 0.000 0.000 0.000 3/23040 140.0 10.031 9.321 10.324 0.000 0.000 0.000 3/23040 150.0 9.109 8.477 9.372 0.000 0.000 0.000 3/23040 160.0 8.341 7.773 8.580 0.000 0.000 0.000 3/23040 170.0 7.692 7.177 7.912 0.000 0.000 0.000 3/23040 180.0 7.139 6.667 7.342 0.000 0.000 0.000 3/23040 190.0 6.660 6.226 6.850 0.000 0.000 0.000 3/23040 200.0 6.243 5.841 6.422 0.000 0.000 0.000 3/23040 210.0 5.877 5.502 6.045 0.000 0.000 0.000 3/23040 220.0 5.552 5.202 5.711 0.000 0.000 0.000 3/23040 230.0 5.262 4.933 5.413 0.000 0.000 0.000 3/23040 240.0 5.002 4.691 5.146 0.000 0.000 0.000 3/23040 250.0 4.767 4.473 4.905 0.000 0.000 0.000 3/23040 260.0 4.554 4.275 4.686 0.000 0.000 0.000 3/23040 270.0 4.360 4.094 4.486 0.000 0.000 0.000 3/23040 280.0 4.182 3.929 4.304 0.000 0.000 0.000 3/23040 290.0 4.018 3.776 4.136 0.000 0.000 0.000 3/23040 300.0 3.868 3.636 3.981 0.000 0.000 0.000 3/23040 310.0 3.728 3.506 3.838 0.000 0.000 0.000 3/23040 320.0 3.599 3.385 3.705 0.000 0.000 0.000 3/23040 330.0 3.478 3.272 3.581 0.000 0.000 0.000 3/23040 340.0 3.366 3.167 3.466 0.000 0.000 0.000 3/23040 350.0 3.261 3.069 3.358 0.000 0.000 0.000 3/23040 360.0 3.162 2.977 3.256 0.000 0.000 0.000 3/23040 370.0 3.069 2.890 3.161 0.000 0.000 0.000 3/23040 380.0 2.982 2.808 3.071 0.000 0.000 0.000 3/23040 390.0 2.900 2.731 2.987 0.000 0.000 0.000 3/23040 400.0 2.822 2.658 2.907 0.000 0.000 0.000 3/23040 410.0 2.748 2.589 2.831 0.000 0.000 0.000 3/23040 420.0 2.679 2.524 2.759 0.000 0.000 0.000 3/23040 430.0 2.612 2.462 2.691 0.000 0.000 0.000 3/23040 440.0 2.549 2.403 2.627 0.000 0.000 0.000 3/23040 450.0 2.490 2.346 2.565 0.000 0.000 0.000 3/23040 460.0 2.432 2.293 2.506 0.000 0.000 0.000 3/23040 470.0 2.378 2.242 2.450 0.000 0.000 0.000 3/23040 480.0 2.326 2.193 2.397 0.000 0.000 0.000 3/23040 490.0 2.276 2.146 2.345 0.000 0.000 0.000 3/23040 500.0 2.228 2.101 2.296 0.000 0.000 0.000 3/23040 510.0 2.183 2.058 2.249 0.000 0.000 0.000 3/23040 520.0 2.139 2.017 2.204 0.000 0.000 0.000 3/23040 530.0 2.097 1.978 2.161 0.000 0.000 0.000 3/23040 540.0 2.057 1.940 2.120 0.000 0.000 0.000 3/23040 550.0 2.018 1.903 2.080 0.000 0.000 0.000 3/23040 560.0 1.980 1.868 2.041 0.000 0.000 0.000 3/23040 570.0 1.944 1.834 2.004 0.000 0.000 0.000 3/23040 580.0 1.910 1.802 1.968 0.000 0.000 0.000 3/23040 590.0 1.876 1.770 1.934 0.000 0.000 0.000 3/23040 600.0 1.844 1.740 1.901 0.000 0.000 0.000 3/23040 610.0 1.813 1.710 1.869 0.000 0.000 0.000 3/23040 620.0 1.783 1.682 1.838 0.000 0.000 0.000 3/23040 630.0 1.753 1.655 1.808 0.000 0.000 0.000 3/23040 640.0 1.725 1.628 1.779 0.000 0.000 0.000 3/23040 650.0 1.698 1.602 1.750 0.000 0.000 0.000 3/23040 660.0 1.672 1.577 1.723 0.000 0.000 0.000 3/23040 670.0 1.646 1.553 1.697 0.000 0.000 0.000 3/23040 680.0 1.621 1.530 1.671 0.000 0.000 0.000 3/23040 690.0 1.597 1.507 1.647 0.000 0.000 0.000 3/23040 700.0 1.574 1.485 1.622 0.000 0.000 0.000 3/23040 710.0 1.551 1.464 1.599 0.000 0.000 0.000 3/23040 720.0 1.529 1.443 1.576 0.000 0.000 0.000 3/23040 730.0 1.508 1.423 1.554 0.000 0.000 0.000 3/23040 740.0 1.487 1.403 1.533 0.000 0.000 0.000 3/23040 750.0 1.467 1.384 1.512 0.000 0.000 0.000 3/23040 760.0 1.447 1.366 1.492 0.000 0.000 0.000 3/23040 770.0 1.428 1.348 1.472 0.000 0.000 0.000 3/23040 780.0 1.409 1.330 1.453 0.000 0.000 0.000 3/23040 790.0 1.391 1.313 1.434 0.000 0.000 0.000 3/23040 800.0 1.373 1.296 1.416 0.000 0.000 0.000 3/23040 810.0 1.356 1.280 1.398 0.000 0.000 0.000 3/23040 820.0 1.339 1.264 1.381 0.000 0.000 0.000 3/23040 830.0 1.323 1.249 1.364 0.000 0.000 0.000 3/23040 840.0 1.307 1.234 1.347 0.000 0.000 0.000 3/23040 850.0 1.291 1.219 1.331 0.000 0.000 0.000 3/23040 860.0 1.276 1.205 1.316 0.000 0.000 0.000 3/23040 870.0 1.261 1.191 1.300 0.000 0.000 0.000 3/23040 880.0 1.246 1.177 1.285 0.000 0.000 0.000 3/23040 890.0 1.232 1.163 1.271 0.000 0.000 0.000 3/23040 900.0 1.218 1.150 1.256 0.000 0.000 0.000 3/23040 910.0 1.205 1.137 1.242 0.000 0.000 0.000 3/23040 920.0 1.191 1.125 1.229 0.000 0.000 0.000 3/23040 930.0 1.178 1.113 1.215 0.000 0.000 0.000 3/23040 940.0 1.166 1.101 1.202 0.000 0.000 0.000 3/23040 950.0 1.153 1.089 1.189 0.000 0.000 0.000 3/23040 960.0 1.141 1.078 1.177 0.000 0.000 0.000 3/23040 970.0 1.129 1.066 1.164 0.000 0.000 0.000 3/23040 980.0 1.118 1.055 1.152 0.000 0.000 0.000 3/23040 990.0 1.106 1.045 1.141 0.000 0.000 0.000 3/23040 1000.0 1.095 1.034 1.129 0.000 0.000 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m484.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:31:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|