----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:04:18]------------------------- Compiled with OpenMP support (max 48 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 1 2] 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 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.029890650000000 Atomic positions (fractional): *1 Pr 0.16048319358185 0.86394894489658 0.52194191815628 140.908 2 Pr 0.83951680641815 0.86394894489658 0.97805808184372 140.908 3 Pr 0.16048319358185 0.13605105510342 0.02194191815628 140.908 4 Pr 0.83951680641815 0.13605105510342 0.47805808184372 140.908 5 Pr 0.33951680641815 0.36394894489658 0.52194191815628 140.908 6 Pr 0.66048319358185 0.36394894489658 0.97805808184372 140.908 7 Pr 0.66048319358185 0.63605105510342 0.47805808184372 140.908 8 Pr 0.33951680641815 0.63605105510342 0.02194191815628 140.908 *9 Ti 0.50000000000000 0.09059395541814 0.25000000000000 47.867 10 Ti 0.00000000000000 0.40940604458186 0.75000000000000 47.867 11 Ti 0.50000000000000 0.90940604458186 0.75000000000000 47.867 *12 Ti 0.16330140789946 0.42258226945833 0.12870780596426 47.867 13 Ti 0.33669859210054 0.07741773054167 0.62870780596426 47.867 14 Ti 0.83669859210054 0.57741773054167 0.87129219403574 47.867 15 Ti 0.83669859210054 0.42258226945833 0.37129219403574 47.867 16 Ti 0.00000000000000 0.59059395541814 0.25000000000000 47.867 17 Ti 0.16330140789946 0.57741773054167 0.62870780596426 47.867 18 Ti 0.33669859210054 0.92258226945833 0.12870780596426 47.867 19 Ti 0.66330140789946 0.07741773054167 0.87129219403574 47.867 20 Ti 0.66330140789946 0.92258226945833 0.37129219403574 47.867 *21 Cl 0.57399253027063 0.60325146977895 0.98304574243935 35.453 22 Cl 0.42600746972937 0.39674853022105 0.01695425756065 35.453 23 Cl 0.42600746972937 0.60325146977895 0.51695425756065 35.453 24 Cl 0.07399253027063 0.89674853022105 0.01695425756065 35.453 25 Cl 0.07399253027063 0.10325146977895 0.51695425756065 35.453 26 Cl 0.92600746972937 0.89674853022105 0.48304574243935 35.453 27 Cl 0.92600746972937 0.10325146977895 0.98304574243935 35.453 28 Cl 0.57399253027063 0.39674853022105 0.48304574243935 35.453 *29 O 0.07684689125495 0.54538957622720 0.93688734504934 15.999 *30 O 0.76080453253134 0.53004599376646 0.16958514965886 15.999 31 O 0.23919546746865 0.53004599376646 0.33041485034114 15.999 *32 O 0.22147395620303 0.29763486614026 0.24992848936199 15.999 33 O 0.26080453253135 0.03004599376646 0.33041485034114 15.999 *34 O 0.58159301272032 0.18217210431822 0.07471208447027 15.999 35 O 0.77852604379697 0.70236513385974 0.75007151063801 15.999 36 O 0.72147395620303 0.20236513385974 0.75007151063801 15.999 37 O 0.73919546746866 0.03004599376646 0.16958514965886 15.999 38 O 0.26080453253135 0.96995400623354 0.83041485034114 15.999 39 O 0.58159301272032 0.81782789568178 0.57471208447027 15.999 40 O 0.72147395620303 0.79763486614026 0.25007151063801 15.999 41 O 0.42315310874505 0.95461042377280 0.43688734504934 15.999 42 O 0.91840698727968 0.31782789568178 0.57471208447027 15.999 43 O 0.73919546746866 0.96995400623354 0.66958514965886 15.999 44 O 0.92315310874505 0.54538957622720 0.56311265495066 15.999 45 O 0.57684689125495 0.04538957622720 0.56311265495066 15.999 46 O 0.91840698727968 0.68217210431822 0.07471208447027 15.999 47 O 0.22147395620303 0.70236513385974 0.74992848936199 15.999 48 O 0.92315310874505 0.45461042377279 0.06311265495066 15.999 49 O 0.23919546746865 0.46995400623354 0.83041485034114 15.999 50 O 0.41840698727968 0.81782789568178 0.92528791552973 15.999 51 O 0.57684689125495 0.95461042377280 0.06311265495066 15.999 52 O 0.08159301272032 0.68217210431822 0.42528791552973 15.999 53 O 0.76080453253134 0.46995400623354 0.66958514965886 15.999 54 O 0.08159301272032 0.31782789568178 0.92528791552973 15.999 55 O 0.27852604379697 0.79763486614026 0.24992848936199 15.999 56 O 0.42315310874505 0.04538957622720 0.93688734504934 15.999 57 O 0.07684689125495 0.45461042377279 0.43688734504934 15.999 58 O 0.41840698727968 0.18217210431822 0.42528791552973 15.999 59 O 0.77852604379697 0.29763486614026 0.25007151063801 15.999 60 O 0.27852604379697 0.20236513385974 0.74992848936199 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.029890650000000 Atomic positions (fractional): *1 Pr 0.16048319358185 0.86394894489658 0.52194191815628 140.908 > 1 2 Pr 0.83951680641815 0.86394894489658 0.97805808184372 140.908 > 2 3 Pr 0.16048319358185 0.13605105510342 0.02194191815628 140.908 > 3 4 Pr 0.83951680641815 0.13605105510342 0.47805808184372 140.908 > 4 5 Pr 0.33951680641815 0.36394894489658 0.52194191815628 140.908 > 5 6 Pr 0.66048319358185 0.36394894489658 0.97805808184372 140.908 > 6 7 Pr 0.66048319358185 0.63605105510342 0.47805808184372 140.908 > 7 8 Pr 0.33951680641815 0.63605105510342 0.02194191815628 140.908 > 8 *9 Ti 0.50000000000000 0.09059395541814 0.25000000000000 47.867 > 9 10 Ti 0.00000000000000 0.40940604458186 0.75000000000000 47.867 > 10 11 Ti 0.50000000000000 0.90940604458186 0.75000000000000 47.867 > 11 *12 Ti 0.16330140789946 0.42258226945833 0.12870780596426 47.867 > 12 13 Ti 0.33669859210054 0.07741773054167 0.62870780596426 47.867 > 13 14 Ti 0.83669859210054 0.57741773054167 0.87129219403574 47.867 > 14 15 Ti 0.83669859210054 0.42258226945833 0.37129219403574 47.867 > 15 16 Ti 0.00000000000000 0.59059395541814 0.25000000000000 47.867 > 16 17 Ti 0.16330140789946 0.57741773054167 0.62870780596426 47.867 > 17 18 Ti 0.33669859210054 0.92258226945833 0.12870780596426 47.867 > 18 19 Ti 0.66330140789946 0.07741773054167 0.87129219403574 47.867 > 19 20 Ti 0.66330140789946 0.92258226945833 0.37129219403574 47.867 > 20 *21 Cl 0.57399253027063 0.60325146977895 0.98304574243935 35.453 > 21 22 Cl 0.42600746972937 0.39674853022105 0.01695425756065 35.453 > 22 23 Cl 0.42600746972937 0.60325146977895 0.51695425756065 35.453 > 23 24 Cl 0.07399253027063 0.89674853022105 0.01695425756065 35.453 > 24 25 Cl 0.07399253027063 0.10325146977895 0.51695425756065 35.453 > 25 26 Cl 0.92600746972937 0.89674853022105 0.48304574243935 35.453 > 26 27 Cl 0.92600746972937 0.10325146977895 0.98304574243935 35.453 > 27 28 Cl 0.57399253027063 0.39674853022105 0.48304574243935 35.453 > 28 *29 O 0.07684689125495 0.54538957622720 0.93688734504934 15.999 > 29 *30 O 0.76080453253134 0.53004599376646 0.16958514965886 15.999 > 30 31 O 0.23919546746865 0.53004599376646 0.33041485034114 15.999 > 31 *32 O 0.22147395620303 0.29763486614026 0.24992848936199 15.999 > 32 33 O 0.26080453253135 0.03004599376646 0.33041485034114 15.999 > 33 *34 O 0.58159301272032 0.18217210431822 0.07471208447027 15.999 > 34 35 O 0.77852604379697 0.70236513385974 0.75007151063801 15.999 > 35 36 O 0.72147395620303 0.20236513385974 0.75007151063801 15.999 > 36 37 O 0.73919546746866 0.03004599376646 0.16958514965886 15.999 > 37 38 O 0.26080453253135 0.96995400623354 0.83041485034114 15.999 > 38 39 O 0.58159301272032 0.81782789568178 0.57471208447027 15.999 > 39 40 O 0.72147395620303 0.79763486614026 0.25007151063801 15.999 > 40 41 O 0.42315310874505 0.95461042377280 0.43688734504934 15.999 > 41 42 O 0.91840698727968 0.31782789568178 0.57471208447027 15.999 > 42 43 O 0.73919546746866 0.96995400623354 0.66958514965886 15.999 > 43 44 O 0.92315310874505 0.54538957622720 0.56311265495066 15.999 > 44 45 O 0.57684689125495 0.04538957622720 0.56311265495066 15.999 > 45 46 O 0.91840698727968 0.68217210431822 0.07471208447027 15.999 > 46 47 O 0.22147395620303 0.70236513385974 0.74992848936199 15.999 > 47 48 O 0.92315310874505 0.45461042377279 0.06311265495066 15.999 > 48 49 O 0.23919546746865 0.46995400623354 0.83041485034114 15.999 > 49 50 O 0.41840698727968 0.81782789568178 0.92528791552973 15.999 > 50 51 O 0.57684689125495 0.95461042377280 0.06311265495066 15.999 > 51 52 O 0.08159301272032 0.68217210431822 0.42528791552973 15.999 > 52 53 O 0.76080453253134 0.46995400623354 0.66958514965886 15.999 > 53 54 O 0.08159301272032 0.31782789568178 0.92528791552973 15.999 > 54 55 O 0.27852604379697 0.79763486614026 0.24992848936199 15.999 > 55 56 O 0.42315310874505 0.04538957622720 0.93688734504934 15.999 > 56 57 O 0.07684689125495 0.45461042377279 0.43688734504934 15.999 > 57 58 O 0.41840698727968 0.18217210431822 0.42528791552973 15.999 > 58 59 O 0.77852604379697 0.29763486614026 0.25007151063801 15.999 > 59 60 O 0.27852604379697 0.20236513385974 0.74992848936199 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.059781299999999 Atomic positions (fractional): *1 Pr 0.16048319358185 0.86394894489658 0.26097095907814 140.908 > 1 2 Pr 0.16048319358185 0.86394894489658 0.76097095907814 140.908 > 1 3 Pr 0.83951680641815 0.86394894489658 0.48902904092186 140.908 > 2 4 Pr 0.83951680641815 0.86394894489658 0.98902904092186 140.908 > 2 5 Pr 0.16048319358185 0.13605105510342 0.01097095907814 140.908 > 3 6 Pr 0.16048319358185 0.13605105510342 0.51097095907814 140.908 > 3 7 Pr 0.83951680641815 0.13605105510342 0.23902904092186 140.908 > 4 8 Pr 0.83951680641815 0.13605105510342 0.73902904092186 140.908 > 4 9 Pr 0.33951680641815 0.36394894489658 0.26097095907814 140.908 > 5 10 Pr 0.33951680641815 0.36394894489658 0.76097095907814 140.908 > 5 11 Pr 0.66048319358185 0.36394894489658 0.48902904092186 140.908 > 6 12 Pr 0.66048319358185 0.36394894489658 0.98902904092186 140.908 > 6 13 Pr 0.66048319358185 0.63605105510342 0.23902904092186 140.908 > 7 14 Pr 0.66048319358185 0.63605105510342 0.73902904092186 140.908 > 7 15 Pr 0.33951680641815 0.63605105510342 0.01097095907814 140.908 > 8 16 Pr 0.33951680641815 0.63605105510342 0.51097095907814 140.908 > 8 *17 Ti 0.50000000000000 0.09059395541814 0.12500000000000 47.867 > 9 18 Ti 0.50000000000000 0.09059395541814 0.62500000000000 47.867 > 9 19 Ti 0.00000000000000 0.40940604458186 0.37500000000000 47.867 > 10 20 Ti 0.00000000000000 0.40940604458186 0.87500000000000 47.867 > 10 21 Ti 0.50000000000000 0.90940604458186 0.37500000000000 47.867 > 11 22 Ti 0.50000000000000 0.90940604458186 0.87500000000000 47.867 > 11 *23 Ti 0.16330140789946 0.42258226945833 0.06435390298213 47.867 > 12 24 Ti 0.16330140789946 0.42258226945833 0.56435390298213 47.867 > 12 25 Ti 0.33669859210054 0.07741773054167 0.31435390298213 47.867 > 13 26 Ti 0.33669859210054 0.07741773054167 0.81435390298213 47.867 > 13 27 Ti 0.83669859210054 0.57741773054167 0.43564609701787 47.867 > 14 28 Ti 0.83669859210054 0.57741773054167 0.93564609701787 47.867 > 14 29 Ti 0.83669859210054 0.42258226945833 0.18564609701787 47.867 > 15 30 Ti 0.83669859210054 0.42258226945833 0.68564609701787 47.867 > 15 31 Ti 0.00000000000000 0.59059395541814 0.12500000000000 47.867 > 16 32 Ti 0.00000000000000 0.59059395541814 0.62500000000000 47.867 > 16 33 Ti 0.16330140789946 0.57741773054167 0.31435390298213 47.867 > 17 34 Ti 0.16330140789946 0.57741773054167 0.81435390298213 47.867 > 17 35 Ti 0.33669859210054 0.92258226945833 0.06435390298213 47.867 > 18 36 Ti 0.33669859210054 0.92258226945833 0.56435390298213 47.867 > 18 37 Ti 0.66330140789946 0.07741773054167 0.43564609701787 47.867 > 19 38 Ti 0.66330140789946 0.07741773054167 0.93564609701787 47.867 > 19 39 Ti 0.66330140789946 0.92258226945833 0.18564609701787 47.867 > 20 40 Ti 0.66330140789946 0.92258226945833 0.68564609701787 47.867 > 20 *41 Cl 0.57399253027063 0.60325146977895 0.49152287121967 35.453 > 21 42 Cl 0.57399253027063 0.60325146977895 0.99152287121967 35.453 > 21 43 Cl 0.42600746972937 0.39674853022105 0.00847712878033 35.453 > 22 44 Cl 0.42600746972937 0.39674853022105 0.50847712878033 35.453 > 22 45 Cl 0.42600746972937 0.60325146977895 0.25847712878033 35.453 > 23 46 Cl 0.42600746972937 0.60325146977895 0.75847712878033 35.453 > 23 47 Cl 0.07399253027063 0.89674853022105 0.00847712878033 35.453 > 24 48 Cl 0.07399253027063 0.89674853022105 0.50847712878033 35.453 > 24 49 Cl 0.07399253027063 0.10325146977895 0.25847712878033 35.453 > 25 50 Cl 0.07399253027063 0.10325146977895 0.75847712878033 35.453 > 25 51 Cl 0.92600746972937 0.89674853022105 0.24152287121967 35.453 > 26 52 Cl 0.92600746972937 0.89674853022105 0.74152287121967 35.453 > 26 53 Cl 0.92600746972937 0.10325146977895 0.49152287121967 35.453 > 27 54 Cl 0.92600746972937 0.10325146977895 0.99152287121967 35.453 > 27 55 Cl 0.57399253027063 0.39674853022105 0.24152287121967 35.453 > 28 56 Cl 0.57399253027063 0.39674853022105 0.74152287121967 35.453 > 28 *57 O 0.07684689125495 0.54538957622720 0.46844367252467 15.999 > 29 58 O 0.07684689125495 0.54538957622720 0.96844367252467 15.999 > 29 *59 O 0.76080453253134 0.53004599376646 0.08479257482943 15.999 > 30 60 O 0.76080453253134 0.53004599376646 0.58479257482943 15.999 > 30 61 O 0.23919546746865 0.53004599376646 0.16520742517057 15.999 > 31 62 O 0.23919546746865 0.53004599376646 0.66520742517057 15.999 > 31 *63 O 0.22147395620303 0.29763486614026 0.12496424468099 15.999 > 32 64 O 0.22147395620303 0.29763486614026 0.62496424468099 15.999 > 32 65 O 0.26080453253135 0.03004599376646 0.16520742517057 15.999 > 33 66 O 0.26080453253135 0.03004599376646 0.66520742517057 15.999 > 33 *67 O 0.58159301272032 0.18217210431822 0.03735604223513 15.999 > 34 68 O 0.58159301272032 0.18217210431822 0.53735604223513 15.999 > 34 69 O 0.77852604379697 0.70236513385974 0.37503575531901 15.999 > 35 70 O 0.77852604379697 0.70236513385974 0.87503575531901 15.999 > 35 71 O 0.72147395620303 0.20236513385974 0.37503575531901 15.999 > 36 72 O 0.72147395620303 0.20236513385974 0.87503575531901 15.999 > 36 73 O 0.73919546746866 0.03004599376646 0.08479257482943 15.999 > 37 74 O 0.73919546746866 0.03004599376646 0.58479257482943 15.999 > 37 75 O 0.26080453253135 0.96995400623354 0.41520742517057 15.999 > 38 76 O 0.26080453253135 0.96995400623354 0.91520742517057 15.999 > 38 77 O 0.58159301272032 0.81782789568178 0.28735604223513 15.999 > 39 78 O 0.58159301272032 0.81782789568178 0.78735604223513 15.999 > 39 79 O 0.72147395620303 0.79763486614026 0.12503575531901 15.999 > 40 80 O 0.72147395620303 0.79763486614026 0.62503575531901 15.999 > 40 81 O 0.42315310874505 0.95461042377280 0.21844367252467 15.999 > 41 82 O 0.42315310874505 0.95461042377280 0.71844367252467 15.999 > 41 83 O 0.91840698727968 0.31782789568178 0.28735604223513 15.999 > 42 84 O 0.91840698727968 0.31782789568178 0.78735604223513 15.999 > 42 85 O 0.73919546746866 0.96995400623354 0.33479257482943 15.999 > 43 86 O 0.73919546746866 0.96995400623354 0.83479257482943 15.999 > 43 87 O 0.92315310874505 0.54538957622720 0.28155632747533 15.999 > 44 88 O 0.92315310874505 0.54538957622720 0.78155632747533 15.999 > 44 89 O 0.57684689125495 0.04538957622720 0.28155632747533 15.999 > 45 90 O 0.57684689125495 0.04538957622720 0.78155632747533 15.999 > 45 91 O 0.91840698727968 0.68217210431822 0.03735604223513 15.999 > 46 92 O 0.91840698727968 0.68217210431822 0.53735604223513 15.999 > 46 93 O 0.22147395620303 0.70236513385974 0.37496424468099 15.999 > 47 94 O 0.22147395620303 0.70236513385974 0.87496424468099 15.999 > 47 95 O 0.92315310874505 0.45461042377279 0.03155632747533 15.999 > 48 96 O 0.92315310874505 0.45461042377279 0.53155632747533 15.999 > 48 97 O 0.23919546746865 0.46995400623354 0.41520742517057 15.999 > 49 98 O 0.23919546746865 0.46995400623354 0.91520742517057 15.999 > 49 99 O 0.41840698727968 0.81782789568178 0.46264395776487 15.999 > 50 100 O 0.41840698727968 0.81782789568178 0.96264395776487 15.999 > 50 101 O 0.57684689125495 0.95461042377280 0.03155632747533 15.999 > 51 102 O 0.57684689125495 0.95461042377280 0.53155632747533 15.999 > 51 103 O 0.08159301272032 0.68217210431822 0.21264395776487 15.999 > 52 104 O 0.08159301272032 0.68217210431822 0.71264395776487 15.999 > 52 105 O 0.76080453253134 0.46995400623354 0.33479257482943 15.999 > 53 106 O 0.76080453253134 0.46995400623354 0.83479257482943 15.999 > 53 107 O 0.08159301272032 0.31782789568178 0.46264395776487 15.999 > 54 108 O 0.08159301272032 0.31782789568178 0.96264395776487 15.999 > 54 109 O 0.27852604379697 0.79763486614026 0.12496424468099 15.999 > 55 110 O 0.27852604379697 0.79763486614026 0.62496424468099 15.999 > 55 111 O 0.42315310874505 0.04538957622720 0.46844367252467 15.999 > 56 112 O 0.42315310874505 0.04538957622720 0.96844367252467 15.999 > 56 113 O 0.07684689125495 0.45461042377279 0.21844367252467 15.999 > 57 114 O 0.07684689125495 0.45461042377279 0.71844367252467 15.999 > 57 115 O 0.41840698727968 0.18217210431822 0.21264395776487 15.999 > 58 116 O 0.41840698727968 0.18217210431822 0.71264395776487 15.999 > 58 117 O 0.77852604379697 0.29763486614026 0.12503575531901 15.999 > 59 118 O 0.77852604379697 0.29763486614026 0.62503575531901 15.999 > 59 119 O 0.27852604379697 0.20236513385974 0.37496424468099 15.999 > 60 120 O 0.27852604379697 0.20236513385974 0.87496424468099 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0727233 0.0000000 0.0000000 0.0000000 4.6699339 0.0000000 0.0000000 0.0000000 5.2892018 -------------------------- Born effective charges -------------------------- 1 Pr 4.3346391 0.6707837 -0.2397113 0.2898808 4.6950892 -0.2559242 -0.2997411 0.4247068 4.1256444 2 Pr 4.3346391 -0.6707837 -0.2397113 -0.2898808 4.6950892 0.2559242 -0.2997411 -0.4247068 4.1256444 3 Pr 4.3346391 -0.6707837 -0.2397113 -0.2898808 4.6950892 0.2559242 -0.2997411 -0.4247068 4.1256444 4 Pr 4.3346391 0.6707837 -0.2397113 0.2898808 4.6950892 -0.2559242 -0.2997411 0.4247068 4.1256444 5 Pr 4.3346391 -0.6707837 0.2397113 -0.2898808 4.6950892 -0.2559242 0.2997411 0.4247068 4.1256444 6 Pr 4.3346391 0.6707837 0.2397113 0.2898808 4.6950892 0.2559242 0.2997411 -0.4247068 4.1256444 7 Pr 4.3346391 -0.6707837 0.2397113 -0.2898808 4.6950892 -0.2559242 0.2997411 0.4247068 4.1256444 8 Pr 4.3346391 0.6707837 0.2397113 0.2898808 4.6950892 0.2559242 0.2997411 -0.4247068 4.1256444 9 Ti 5.7958759 0.0000000 -0.8102990 0.0000000 3.2466796 0.0000000 -0.6128549 -0.0000000 5.8835883 10 Ti 5.7958759 0.0000000 0.8102990 0.0000000 3.2466796 0.0000000 0.6128549 -0.0000000 5.8835883 11 Ti 5.7958759 0.0000000 -0.8102990 0.0000000 3.2466796 0.0000000 -0.6128549 -0.0000000 5.8835883 12 Ti 4.5498697 -0.1711241 0.3638304 -0.1098142 4.2328240 -0.3043704 0.0659868 0.6142395 5.5981936 13 Ti 4.5498697 -0.1711241 -0.3638304 -0.1098142 4.2328240 0.3043704 -0.0659868 -0.6142395 5.5981936 14 Ti 4.5498697 -0.1711241 0.3638304 -0.1098142 4.2328240 -0.3043704 0.0659868 0.6142395 5.5981936 15 Ti 4.5498697 0.1711241 0.3638304 0.1098142 4.2328240 0.3043704 0.0659868 -0.6142395 5.5981936 16 Ti 5.7958759 0.0000000 0.8102990 0.0000000 3.2466796 0.0000000 0.6128549 -0.0000000 5.8835883 17 Ti 4.5498697 0.1711241 0.3638304 0.1098142 4.2328240 0.3043704 0.0659868 -0.6142395 5.5981936 18 Ti 4.5498697 0.1711241 -0.3638304 0.1098142 4.2328240 -0.3043704 -0.0659868 0.6142395 5.5981936 19 Ti 4.5498697 0.1711241 -0.3638304 0.1098142 4.2328240 -0.3043704 -0.0659868 0.6142395 5.5981936 20 Ti 4.5498697 -0.1711241 -0.3638304 -0.1098142 4.2328240 0.3043704 -0.0659868 -0.6142395 5.5981936 21 Cl -1.2731968 0.1776510 -0.0250183 0.1396459 -1.0589736 -0.0209219 -0.0348683 -0.0686004 -1.7766273 22 Cl -1.2731968 0.1776510 -0.0250183 0.1396459 -1.0589736 -0.0209219 -0.0348683 -0.0686004 -1.7766273 23 Cl -1.2731968 -0.1776510 -0.0250183 -0.1396459 -1.0589736 0.0209219 -0.0348683 0.0686004 -1.7766273 24 Cl -1.2731968 -0.1776510 0.0250183 -0.1396459 -1.0589736 -0.0209219 0.0348683 -0.0686004 -1.7766273 25 Cl -1.2731968 0.1776510 0.0250183 0.1396459 -1.0589736 0.0209219 0.0348683 0.0686004 -1.7766273 26 Cl -1.2731968 0.1776510 0.0250183 0.1396459 -1.0589736 0.0209219 0.0348683 0.0686004 -1.7766273 27 Cl -1.2731968 -0.1776510 0.0250183 -0.1396459 -1.0589736 -0.0209219 0.0348683 -0.0686004 -1.7766273 28 Cl -1.2731968 -0.1776510 -0.0250183 -0.1396459 -1.0589736 0.0209219 -0.0348683 0.0686004 -1.7766273 29 O -2.6684969 0.0888904 0.8766376 0.1719748 -1.5426247 -0.0617941 1.0756320 -0.1875803 -3.5863366 30 O -2.5307347 0.3114784 0.4265387 0.2094113 -2.0109195 0.4789589 0.4926536 0.7747804 -3.2902983 31 O -2.5307347 -0.3114784 0.4265387 -0.2094113 -2.0109195 -0.4789589 0.4926536 -0.7747804 -3.2902983 32 O -2.2604538 0.7680321 -1.0242152 0.5711205 -3.3203033 0.1973722 -1.0566310 -0.0841541 -1.8265791 33 O -2.5307347 0.3114784 -0.4265387 0.2094113 -2.0109195 -0.4789589 -0.4926536 -0.7747804 -3.2902983 34 O -3.0495646 -0.8405605 1.5202179 -0.5951719 -2.6184319 0.2430465 1.5135610 0.2079999 -2.1857909 35 O -2.2604538 0.7680321 -1.0242152 0.5711205 -3.3203033 0.1973722 -1.0566310 -0.0841541 -1.8265791 36 O -2.2604538 -0.7680321 1.0242152 -0.5711205 -3.3203033 0.1973722 1.0566310 -0.0841541 -1.8265791 37 O -2.5307347 -0.3114784 -0.4265387 -0.2094113 -2.0109195 0.4789589 -0.4926536 0.7747804 -3.2902983 38 O -2.5307347 -0.3114784 -0.4265387 -0.2094113 -2.0109195 0.4789589 -0.4926536 0.7747804 -3.2902983 39 O -3.0495646 0.8405605 1.5202179 0.5951719 -2.6184319 -0.2430465 1.5135610 -0.2079999 -2.1857909 40 O -2.2604538 0.7680321 1.0242152 0.5711205 -3.3203033 -0.1973722 1.0566310 0.0841541 -1.8265791 41 O -2.6684969 0.0888904 -0.8766376 0.1719748 -1.5426247 0.0617941 -1.0756320 0.1875803 -3.5863366 42 O -3.0495646 -0.8405605 -1.5202179 -0.5951719 -2.6184319 -0.2430465 -1.5135610 -0.2079999 -2.1857909 43 O -2.5307347 0.3114784 -0.4265387 0.2094113 -2.0109195 -0.4789589 -0.4926536 -0.7747804 -3.2902983 44 O -2.6684969 -0.0888904 0.8766376 -0.1719748 -1.5426247 0.0617941 1.0756320 0.1875803 -3.5863366 45 O -2.6684969 0.0888904 -0.8766376 0.1719748 -1.5426247 0.0617941 -1.0756320 0.1875803 -3.5863366 46 O -3.0495646 0.8405605 -1.5202179 0.5951719 -2.6184319 0.2430465 -1.5135610 0.2079999 -2.1857909 47 O -2.2604538 -0.7680321 -1.0242152 -0.5711205 -3.3203033 -0.1973722 -1.0566310 0.0841541 -1.8265791 48 O -2.6684969 0.0888904 0.8766376 0.1719748 -1.5426247 -0.0617941 1.0756320 -0.1875803 -3.5863366 49 O -2.5307347 0.3114784 0.4265387 0.2094113 -2.0109195 0.4789589 0.4926536 0.7747804 -3.2902983 50 O -3.0495646 -0.8405605 1.5202179 -0.5951719 -2.6184319 0.2430465 1.5135610 0.2079999 -2.1857909 51 O -2.6684969 -0.0888904 -0.8766376 -0.1719748 -1.5426247 -0.0617941 -1.0756320 -0.1875803 -3.5863366 52 O -3.0495646 -0.8405605 -1.5202179 -0.5951719 -2.6184319 -0.2430465 -1.5135610 -0.2079999 -2.1857909 53 O -2.5307347 -0.3114784 0.4265387 -0.2094113 -2.0109195 -0.4789589 0.4926536 -0.7747804 -3.2902983 54 O -3.0495646 0.8405605 -1.5202179 0.5951719 -2.6184319 0.2430465 -1.5135610 0.2079999 -2.1857909 55 O -2.2604538 -0.7680321 1.0242152 -0.5711205 -3.3203033 0.1973722 1.0566310 -0.0841541 -1.8265791 56 O -2.6684969 -0.0888904 -0.8766376 -0.1719748 -1.5426247 -0.0617941 -1.0756320 -0.1875803 -3.5863366 57 O -2.6684969 -0.0888904 0.8766376 -0.1719748 -1.5426247 0.0617941 1.0756320 0.1875803 -3.5863366 58 O -3.0495646 0.8405605 1.5202179 0.5951719 -2.6184319 -0.2430465 1.5135610 -0.2079999 -2.1857909 59 O -2.2604538 -0.7680321 -1.0242152 -0.5711205 -3.3203033 -0.1973722 -1.0566310 0.0841541 -1.8265791 60 O -2.2604538 0.7680321 1.0242152 0.5711205 -3.3203033 -0.1973722 1.0566310 0.0841541 -1.8265791 ---------------------------------------------------------------------------- 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: 4186 Number of blocks in projector: 4186 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 386 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 386 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4186, 4118), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (898, 884), data: False |-- (898, 12), data: (898, 26) @ (26, 12) |-- (398, 386), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (898, 884), data: False |-- (898, 12), data: (898, 26) @ (26, 12) |-- (398, 386), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (902, 886), data: False |-- (902, 12), data: (902, 28) @ (28, 12) |-- (402, 390), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 960 - Time: 1.766 Solver_block: 200 / 960 - Time: 1.737 Solver_block: 300 / 960 - Time: 1.717 Solver_block: 400 / 960 - Time: 1.729 Solver_block: 500 / 960 - Time: 1.769 Solver_block: 600 / 960 - Time: 1.748 Solver_block: 700 / 960 - Time: 1.695 Solver_block: 800 / 960 - Time: 1.728 Solver_block: 900 / 960 - Time: 1.715 Solver_block: 960 / 960 - Time: 1.185 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.076 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 4186 Number of blocks in projector: 4186 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 386 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 386 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4186, 4118), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (898, 884), data: False |-- (898, 12), data: (898, 26) @ (26, 12) |-- (398, 386), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (898, 884), data: False |-- (898, 12), data: (898, 26) @ (26, 12) |-- (398, 386), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (902, 886), data: False |-- (902, 12), data: (902, 28) @ (28, 12) |-- (402, 390), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), 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 2026-01-08 11:05:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:05:26]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.029890650000000 Atomic positions (fractional): 1 Pr 0.16048319358185 0.86394894489658 0.52194191815628 140.908 2 Pr 0.83951680641815 0.86394894489658 0.97805808184372 140.908 3 Pr 0.16048319358185 0.13605105510342 0.02194191815628 140.908 4 Pr 0.83951680641815 0.13605105510342 0.47805808184372 140.908 5 Pr 0.33951680641815 0.36394894489658 0.52194191815628 140.908 6 Pr 0.66048319358185 0.36394894489658 0.97805808184372 140.908 7 Pr 0.66048319358185 0.63605105510342 0.47805808184372 140.908 8 Pr 0.33951680641815 0.63605105510342 0.02194191815628 140.908 9 Ti 0.50000000000000 0.09059395541814 0.25000000000000 47.867 10 Ti 0.00000000000000 0.40940604458186 0.75000000000000 47.867 11 Ti 0.50000000000000 0.90940604458186 0.75000000000000 47.867 12 Ti 0.16330140789946 0.42258226945833 0.12870780596426 47.867 13 Ti 0.33669859210054 0.07741773054167 0.62870780596426 47.867 14 Ti 0.83669859210054 0.57741773054167 0.87129219403574 47.867 15 Ti 0.83669859210054 0.42258226945833 0.37129219403574 47.867 16 Ti 0.00000000000000 0.59059395541814 0.25000000000000 47.867 17 Ti 0.16330140789946 0.57741773054167 0.62870780596426 47.867 18 Ti 0.33669859210054 0.92258226945833 0.12870780596426 47.867 19 Ti 0.66330140789946 0.07741773054167 0.87129219403574 47.867 20 Ti 0.66330140789946 0.92258226945833 0.37129219403574 47.867 21 Cl 0.57399253027063 0.60325146977895 0.98304574243935 35.453 22 Cl 0.42600746972937 0.39674853022105 0.01695425756065 35.453 23 Cl 0.42600746972937 0.60325146977895 0.51695425756065 35.453 24 Cl 0.07399253027063 0.89674853022105 0.01695425756065 35.453 25 Cl 0.07399253027063 0.10325146977895 0.51695425756065 35.453 26 Cl 0.92600746972937 0.89674853022105 0.48304574243935 35.453 27 Cl 0.92600746972937 0.10325146977895 0.98304574243935 35.453 28 Cl 0.57399253027063 0.39674853022105 0.48304574243935 35.453 29 O 0.07684689125495 0.54538957622720 0.93688734504934 15.999 30 O 0.76080453253134 0.53004599376646 0.16958514965886 15.999 31 O 0.23919546746865 0.53004599376646 0.33041485034114 15.999 32 O 0.22147395620303 0.29763486614026 0.24992848936199 15.999 33 O 0.26080453253135 0.03004599376646 0.33041485034114 15.999 34 O 0.58159301272032 0.18217210431822 0.07471208447027 15.999 35 O 0.77852604379697 0.70236513385974 0.75007151063801 15.999 36 O 0.72147395620303 0.20236513385974 0.75007151063801 15.999 37 O 0.73919546746866 0.03004599376646 0.16958514965886 15.999 38 O 0.26080453253135 0.96995400623354 0.83041485034114 15.999 39 O 0.58159301272032 0.81782789568178 0.57471208447027 15.999 40 O 0.72147395620303 0.79763486614026 0.25007151063801 15.999 41 O 0.42315310874505 0.95461042377280 0.43688734504934 15.999 42 O 0.91840698727968 0.31782789568178 0.57471208447027 15.999 43 O 0.73919546746866 0.96995400623354 0.66958514965886 15.999 44 O 0.92315310874505 0.54538957622720 0.56311265495066 15.999 45 O 0.57684689125495 0.04538957622720 0.56311265495066 15.999 46 O 0.91840698727968 0.68217210431822 0.07471208447027 15.999 47 O 0.22147395620303 0.70236513385974 0.74992848936199 15.999 48 O 0.92315310874505 0.45461042377279 0.06311265495066 15.999 49 O 0.23919546746865 0.46995400623354 0.83041485034114 15.999 50 O 0.41840698727968 0.81782789568178 0.92528791552973 15.999 51 O 0.57684689125495 0.95461042377280 0.06311265495066 15.999 52 O 0.08159301272032 0.68217210431822 0.42528791552973 15.999 53 O 0.76080453253134 0.46995400623354 0.66958514965886 15.999 54 O 0.08159301272032 0.31782789568178 0.92528791552973 15.999 55 O 0.27852604379697 0.79763486614026 0.24992848936199 15.999 56 O 0.42315310874505 0.04538957622720 0.93688734504934 15.999 57 O 0.07684689125495 0.45461042377279 0.43688734504934 15.999 58 O 0.41840698727968 0.18217210431822 0.42528791552973 15.999 59 O 0.77852604379697 0.29763486614026 0.25007151063801 15.999 60 O 0.27852604379697 0.20236513385974 0.74992848936199 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.059781299999999 Atomic positions (fractional): 1 Pr 0.16048319358185 0.86394894489658 0.26097095907814 140.908 > 1 2 Pr 0.16048319358185 0.86394894489658 0.76097095907814 140.908 > 1 3 Pr 0.83951680641815 0.86394894489658 0.48902904092186 140.908 > 3 4 Pr 0.83951680641815 0.86394894489658 0.98902904092186 140.908 > 3 5 Pr 0.16048319358185 0.13605105510342 0.01097095907814 140.908 > 5 6 Pr 0.16048319358185 0.13605105510342 0.51097095907814 140.908 > 5 7 Pr 0.83951680641815 0.13605105510342 0.23902904092186 140.908 > 7 8 Pr 0.83951680641815 0.13605105510342 0.73902904092186 140.908 > 7 9 Pr 0.33951680641815 0.36394894489658 0.26097095907814 140.908 > 9 10 Pr 0.33951680641815 0.36394894489658 0.76097095907814 140.908 > 9 11 Pr 0.66048319358185 0.36394894489658 0.48902904092186 140.908 > 11 12 Pr 0.66048319358185 0.36394894489658 0.98902904092186 140.908 > 11 13 Pr 0.66048319358185 0.63605105510342 0.23902904092186 140.908 > 13 14 Pr 0.66048319358185 0.63605105510342 0.73902904092186 140.908 > 13 15 Pr 0.33951680641815 0.63605105510342 0.01097095907814 140.908 > 15 16 Pr 0.33951680641815 0.63605105510342 0.51097095907814 140.908 > 15 17 Ti 0.50000000000000 0.09059395541814 0.12500000000000 47.867 > 17 18 Ti 0.50000000000000 0.09059395541814 0.62500000000000 47.867 > 17 19 Ti 0.00000000000000 0.40940604458186 0.37500000000000 47.867 > 19 20 Ti 0.00000000000000 0.40940604458186 0.87500000000000 47.867 > 19 21 Ti 0.50000000000000 0.90940604458186 0.37500000000000 47.867 > 21 22 Ti 0.50000000000000 0.90940604458186 0.87500000000000 47.867 > 21 23 Ti 0.16330140789946 0.42258226945833 0.06435390298213 47.867 > 23 24 Ti 0.16330140789946 0.42258226945833 0.56435390298213 47.867 > 23 25 Ti 0.33669859210054 0.07741773054167 0.31435390298213 47.867 > 25 26 Ti 0.33669859210054 0.07741773054167 0.81435390298213 47.867 > 25 27 Ti 0.83669859210054 0.57741773054167 0.43564609701787 47.867 > 27 28 Ti 0.83669859210054 0.57741773054167 0.93564609701787 47.867 > 27 29 Ti 0.83669859210054 0.42258226945833 0.18564609701787 47.867 > 29 30 Ti 0.83669859210054 0.42258226945833 0.68564609701787 47.867 > 29 31 Ti 0.00000000000000 0.59059395541814 0.12500000000000 47.867 > 31 32 Ti 0.00000000000000 0.59059395541814 0.62500000000000 47.867 > 31 33 Ti 0.16330140789946 0.57741773054167 0.31435390298213 47.867 > 33 34 Ti 0.16330140789946 0.57741773054167 0.81435390298213 47.867 > 33 35 Ti 0.33669859210054 0.92258226945833 0.06435390298213 47.867 > 35 36 Ti 0.33669859210054 0.92258226945833 0.56435390298213 47.867 > 35 37 Ti 0.66330140789946 0.07741773054167 0.43564609701787 47.867 > 37 38 Ti 0.66330140789946 0.07741773054167 0.93564609701787 47.867 > 37 39 Ti 0.66330140789946 0.92258226945833 0.18564609701787 47.867 > 39 40 Ti 0.66330140789946 0.92258226945833 0.68564609701787 47.867 > 39 41 Cl 0.57399253027063 0.60325146977895 0.49152287121967 35.453 > 41 42 Cl 0.57399253027063 0.60325146977895 0.99152287121967 35.453 > 41 43 Cl 0.42600746972937 0.39674853022105 0.00847712878033 35.453 > 43 44 Cl 0.42600746972937 0.39674853022105 0.50847712878033 35.453 > 43 45 Cl 0.42600746972937 0.60325146977895 0.25847712878033 35.453 > 45 46 Cl 0.42600746972937 0.60325146977895 0.75847712878033 35.453 > 45 47 Cl 0.07399253027063 0.89674853022105 0.00847712878033 35.453 > 47 48 Cl 0.07399253027063 0.89674853022105 0.50847712878033 35.453 > 47 49 Cl 0.07399253027063 0.10325146977895 0.25847712878033 35.453 > 49 50 Cl 0.07399253027063 0.10325146977895 0.75847712878033 35.453 > 49 51 Cl 0.92600746972937 0.89674853022105 0.24152287121967 35.453 > 51 52 Cl 0.92600746972937 0.89674853022105 0.74152287121967 35.453 > 51 53 Cl 0.92600746972937 0.10325146977895 0.49152287121967 35.453 > 53 54 Cl 0.92600746972937 0.10325146977895 0.99152287121967 35.453 > 53 55 Cl 0.57399253027063 0.39674853022105 0.24152287121967 35.453 > 55 56 Cl 0.57399253027063 0.39674853022105 0.74152287121967 35.453 > 55 57 O 0.07684689125495 0.54538957622720 0.46844367252467 15.999 > 57 58 O 0.07684689125495 0.54538957622720 0.96844367252467 15.999 > 57 59 O 0.76080453253134 0.53004599376646 0.08479257482943 15.999 > 59 60 O 0.76080453253134 0.53004599376646 0.58479257482943 15.999 > 59 61 O 0.23919546746865 0.53004599376646 0.16520742517057 15.999 > 61 62 O 0.23919546746865 0.53004599376646 0.66520742517057 15.999 > 61 63 O 0.22147395620303 0.29763486614026 0.12496424468099 15.999 > 63 64 O 0.22147395620303 0.29763486614026 0.62496424468099 15.999 > 63 65 O 0.26080453253135 0.03004599376646 0.16520742517057 15.999 > 65 66 O 0.26080453253135 0.03004599376646 0.66520742517057 15.999 > 65 67 O 0.58159301272032 0.18217210431822 0.03735604223513 15.999 > 67 68 O 0.58159301272032 0.18217210431822 0.53735604223513 15.999 > 67 69 O 0.77852604379697 0.70236513385974 0.37503575531901 15.999 > 69 70 O 0.77852604379697 0.70236513385974 0.87503575531901 15.999 > 69 71 O 0.72147395620303 0.20236513385974 0.37503575531901 15.999 > 71 72 O 0.72147395620303 0.20236513385974 0.87503575531901 15.999 > 71 73 O 0.73919546746866 0.03004599376646 0.08479257482943 15.999 > 73 74 O 0.73919546746866 0.03004599376646 0.58479257482943 15.999 > 73 75 O 0.26080453253135 0.96995400623354 0.41520742517057 15.999 > 75 76 O 0.26080453253135 0.96995400623354 0.91520742517057 15.999 > 75 77 O 0.58159301272032 0.81782789568178 0.28735604223513 15.999 > 77 78 O 0.58159301272032 0.81782789568178 0.78735604223513 15.999 > 77 79 O 0.72147395620303 0.79763486614026 0.12503575531901 15.999 > 79 80 O 0.72147395620303 0.79763486614026 0.62503575531901 15.999 > 79 81 O 0.42315310874505 0.95461042377280 0.21844367252467 15.999 > 81 82 O 0.42315310874505 0.95461042377280 0.71844367252467 15.999 > 81 83 O 0.91840698727968 0.31782789568178 0.28735604223513 15.999 > 83 84 O 0.91840698727968 0.31782789568178 0.78735604223513 15.999 > 83 85 O 0.73919546746866 0.96995400623354 0.33479257482943 15.999 > 85 86 O 0.73919546746866 0.96995400623354 0.83479257482943 15.999 > 85 87 O 0.92315310874505 0.54538957622720 0.28155632747533 15.999 > 87 88 O 0.92315310874505 0.54538957622720 0.78155632747533 15.999 > 87 89 O 0.57684689125495 0.04538957622720 0.28155632747533 15.999 > 89 90 O 0.57684689125495 0.04538957622720 0.78155632747533 15.999 > 89 91 O 0.91840698727968 0.68217210431822 0.03735604223513 15.999 > 91 92 O 0.91840698727968 0.68217210431822 0.53735604223513 15.999 > 91 93 O 0.22147395620303 0.70236513385974 0.37496424468099 15.999 > 93 94 O 0.22147395620303 0.70236513385974 0.87496424468099 15.999 > 93 95 O 0.92315310874505 0.45461042377279 0.03155632747533 15.999 > 95 96 O 0.92315310874505 0.45461042377279 0.53155632747533 15.999 > 95 97 O 0.23919546746865 0.46995400623354 0.41520742517057 15.999 > 97 98 O 0.23919546746865 0.46995400623354 0.91520742517057 15.999 > 97 99 O 0.41840698727968 0.81782789568178 0.46264395776487 15.999 > 99 100 O 0.41840698727968 0.81782789568178 0.96264395776487 15.999 > 99 101 O 0.57684689125495 0.95461042377280 0.03155632747533 15.999 > 101 102 O 0.57684689125495 0.95461042377280 0.53155632747533 15.999 > 101 103 O 0.08159301272032 0.68217210431822 0.21264395776487 15.999 > 103 104 O 0.08159301272032 0.68217210431822 0.71264395776487 15.999 > 103 105 O 0.76080453253134 0.46995400623354 0.33479257482943 15.999 > 105 106 O 0.76080453253134 0.46995400623354 0.83479257482943 15.999 > 105 107 O 0.08159301272032 0.31782789568178 0.46264395776487 15.999 > 107 108 O 0.08159301272032 0.31782789568178 0.96264395776487 15.999 > 107 109 O 0.27852604379697 0.79763486614026 0.12496424468099 15.999 > 109 110 O 0.27852604379697 0.79763486614026 0.62496424468099 15.999 > 109 111 O 0.42315310874505 0.04538957622720 0.46844367252467 15.999 > 111 112 O 0.42315310874505 0.04538957622720 0.96844367252467 15.999 > 111 113 O 0.07684689125495 0.45461042377279 0.21844367252467 15.999 > 113 114 O 0.07684689125495 0.45461042377279 0.71844367252467 15.999 > 113 115 O 0.41840698727968 0.18217210431822 0.21264395776487 15.999 > 115 116 O 0.41840698727968 0.18217210431822 0.71264395776487 15.999 > 115 117 O 0.77852604379697 0.29763486614026 0.12503575531901 15.999 > 117 118 O 0.77852604379697 0.29763486614026 0.62503575531901 15.999 > 117 119 O 0.27852604379697 0.20236513385974 0.37496424468099 15.999 > 119 120 O 0.27852604379697 0.20236513385974 0.87496424468099 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0727233 0.0000000 0.0000000 0.0000000 4.6699339 0.0000000 0.0000000 0.0000000 5.2892018 -------------------------- Born effective charges -------------------------- 1 Pr 4.3346391 0.6707837 -0.2397113 0.2898808 4.6950892 -0.2559242 -0.2997411 0.4247068 4.1256444 2 Pr 4.3346391 -0.6707837 -0.2397113 -0.2898808 4.6950892 0.2559242 -0.2997411 -0.4247068 4.1256444 3 Pr 4.3346391 -0.6707837 -0.2397113 -0.2898808 4.6950892 0.2559242 -0.2997411 -0.4247068 4.1256444 4 Pr 4.3346391 0.6707837 -0.2397113 0.2898808 4.6950892 -0.2559242 -0.2997411 0.4247068 4.1256444 5 Pr 4.3346391 -0.6707837 0.2397113 -0.2898808 4.6950892 -0.2559242 0.2997411 0.4247068 4.1256444 6 Pr 4.3346391 0.6707837 0.2397113 0.2898808 4.6950892 0.2559242 0.2997411 -0.4247068 4.1256444 7 Pr 4.3346391 -0.6707837 0.2397113 -0.2898808 4.6950892 -0.2559242 0.2997411 0.4247068 4.1256444 8 Pr 4.3346391 0.6707837 0.2397113 0.2898808 4.6950892 0.2559242 0.2997411 -0.4247068 4.1256444 9 Ti 5.7958759 0.0000000 -0.8102990 0.0000000 3.2466796 0.0000000 -0.6128549 -0.0000000 5.8835883 10 Ti 5.7958759 0.0000000 0.8102990 0.0000000 3.2466796 0.0000000 0.6128549 -0.0000000 5.8835883 11 Ti 5.7958759 0.0000000 -0.8102990 0.0000000 3.2466796 0.0000000 -0.6128549 -0.0000000 5.8835883 12 Ti 4.5498697 -0.1711241 0.3638304 -0.1098142 4.2328240 -0.3043704 0.0659868 0.6142395 5.5981936 13 Ti 4.5498697 -0.1711241 -0.3638304 -0.1098142 4.2328240 0.3043704 -0.0659868 -0.6142395 5.5981936 14 Ti 4.5498697 -0.1711241 0.3638304 -0.1098142 4.2328240 -0.3043704 0.0659868 0.6142395 5.5981936 15 Ti 4.5498697 0.1711241 0.3638304 0.1098142 4.2328240 0.3043704 0.0659868 -0.6142395 5.5981936 16 Ti 5.7958759 0.0000000 0.8102990 0.0000000 3.2466796 0.0000000 0.6128549 -0.0000000 5.8835883 17 Ti 4.5498697 0.1711241 0.3638304 0.1098142 4.2328240 0.3043704 0.0659868 -0.6142395 5.5981936 18 Ti 4.5498697 0.1711241 -0.3638304 0.1098142 4.2328240 -0.3043704 -0.0659868 0.6142395 5.5981936 19 Ti 4.5498697 0.1711241 -0.3638304 0.1098142 4.2328240 -0.3043704 -0.0659868 0.6142395 5.5981936 20 Ti 4.5498697 -0.1711241 -0.3638304 -0.1098142 4.2328240 0.3043704 -0.0659868 -0.6142395 5.5981936 21 Cl -1.2731968 0.1776510 -0.0250183 0.1396459 -1.0589736 -0.0209219 -0.0348683 -0.0686004 -1.7766273 22 Cl -1.2731968 0.1776510 -0.0250183 0.1396459 -1.0589736 -0.0209219 -0.0348683 -0.0686004 -1.7766273 23 Cl -1.2731968 -0.1776510 -0.0250183 -0.1396459 -1.0589736 0.0209219 -0.0348683 0.0686004 -1.7766273 24 Cl -1.2731968 -0.1776510 0.0250183 -0.1396459 -1.0589736 -0.0209219 0.0348683 -0.0686004 -1.7766273 25 Cl -1.2731968 0.1776510 0.0250183 0.1396459 -1.0589736 0.0209219 0.0348683 0.0686004 -1.7766273 26 Cl -1.2731968 0.1776510 0.0250183 0.1396459 -1.0589736 0.0209219 0.0348683 0.0686004 -1.7766273 27 Cl -1.2731968 -0.1776510 0.0250183 -0.1396459 -1.0589736 -0.0209219 0.0348683 -0.0686004 -1.7766273 28 Cl -1.2731968 -0.1776510 -0.0250183 -0.1396459 -1.0589736 0.0209219 -0.0348683 0.0686004 -1.7766273 29 O -2.6684969 0.0888904 0.8766376 0.1719748 -1.5426247 -0.0617941 1.0756320 -0.1875803 -3.5863366 30 O -2.5307347 0.3114784 0.4265387 0.2094113 -2.0109195 0.4789589 0.4926536 0.7747804 -3.2902983 31 O -2.5307347 -0.3114784 0.4265387 -0.2094113 -2.0109195 -0.4789589 0.4926536 -0.7747804 -3.2902983 32 O -2.2604538 0.7680321 -1.0242152 0.5711205 -3.3203033 0.1973722 -1.0566310 -0.0841541 -1.8265791 33 O -2.5307347 0.3114784 -0.4265387 0.2094113 -2.0109195 -0.4789589 -0.4926536 -0.7747804 -3.2902983 34 O -3.0495646 -0.8405605 1.5202179 -0.5951719 -2.6184319 0.2430465 1.5135610 0.2079999 -2.1857909 35 O -2.2604538 0.7680321 -1.0242152 0.5711205 -3.3203033 0.1973722 -1.0566310 -0.0841541 -1.8265791 36 O -2.2604538 -0.7680321 1.0242152 -0.5711205 -3.3203033 0.1973722 1.0566310 -0.0841541 -1.8265791 37 O -2.5307347 -0.3114784 -0.4265387 -0.2094113 -2.0109195 0.4789589 -0.4926536 0.7747804 -3.2902983 38 O -2.5307347 -0.3114784 -0.4265387 -0.2094113 -2.0109195 0.4789589 -0.4926536 0.7747804 -3.2902983 39 O -3.0495646 0.8405605 1.5202179 0.5951719 -2.6184319 -0.2430465 1.5135610 -0.2079999 -2.1857909 40 O -2.2604538 0.7680321 1.0242152 0.5711205 -3.3203033 -0.1973722 1.0566310 0.0841541 -1.8265791 41 O -2.6684969 0.0888904 -0.8766376 0.1719748 -1.5426247 0.0617941 -1.0756320 0.1875803 -3.5863366 42 O -3.0495646 -0.8405605 -1.5202179 -0.5951719 -2.6184319 -0.2430465 -1.5135610 -0.2079999 -2.1857909 43 O -2.5307347 0.3114784 -0.4265387 0.2094113 -2.0109195 -0.4789589 -0.4926536 -0.7747804 -3.2902983 44 O -2.6684969 -0.0888904 0.8766376 -0.1719748 -1.5426247 0.0617941 1.0756320 0.1875803 -3.5863366 45 O -2.6684969 0.0888904 -0.8766376 0.1719748 -1.5426247 0.0617941 -1.0756320 0.1875803 -3.5863366 46 O -3.0495646 0.8405605 -1.5202179 0.5951719 -2.6184319 0.2430465 -1.5135610 0.2079999 -2.1857909 47 O -2.2604538 -0.7680321 -1.0242152 -0.5711205 -3.3203033 -0.1973722 -1.0566310 0.0841541 -1.8265791 48 O -2.6684969 0.0888904 0.8766376 0.1719748 -1.5426247 -0.0617941 1.0756320 -0.1875803 -3.5863366 49 O -2.5307347 0.3114784 0.4265387 0.2094113 -2.0109195 0.4789589 0.4926536 0.7747804 -3.2902983 50 O -3.0495646 -0.8405605 1.5202179 -0.5951719 -2.6184319 0.2430465 1.5135610 0.2079999 -2.1857909 51 O -2.6684969 -0.0888904 -0.8766376 -0.1719748 -1.5426247 -0.0617941 -1.0756320 -0.1875803 -3.5863366 52 O -3.0495646 -0.8405605 -1.5202179 -0.5951719 -2.6184319 -0.2430465 -1.5135610 -0.2079999 -2.1857909 53 O -2.5307347 -0.3114784 0.4265387 -0.2094113 -2.0109195 -0.4789589 0.4926536 -0.7747804 -3.2902983 54 O -3.0495646 0.8405605 -1.5202179 0.5951719 -2.6184319 0.2430465 -1.5135610 0.2079999 -2.1857909 55 O -2.2604538 -0.7680321 1.0242152 -0.5711205 -3.3203033 0.1973722 1.0566310 -0.0841541 -1.8265791 56 O -2.6684969 -0.0888904 -0.8766376 -0.1719748 -1.5426247 -0.0617941 -1.0756320 -0.1875803 -3.5863366 57 O -2.6684969 -0.0888904 0.8766376 -0.1719748 -1.5426247 0.0617941 1.0756320 0.1875803 -3.5863366 58 O -3.0495646 0.8405605 1.5202179 0.5951719 -2.6184319 -0.2430465 1.5135610 -0.2079999 -2.1857909 59 O -2.2604538 -0.7680321 -1.0242152 -0.5711205 -3.3203033 -0.1973722 -1.0566310 0.0841541 -1.8265791 60 O -2.2604538 0.7680321 1.0242152 0.5711205 -3.3203033 -0.1973722 1.0566310 0.0841541 -1.8265791 ---------------------------------------------------------------------------- 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[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, 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[ 67, 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 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:06:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:06:20]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.029890650000000 Atomic positions (fractional): 1 Pr 0.16048319358185 0.86394894489658 0.52194191815628 140.908 2 Pr 0.83951680641815 0.86394894489658 0.97805808184372 140.908 3 Pr 0.16048319358185 0.13605105510342 0.02194191815628 140.908 4 Pr 0.83951680641815 0.13605105510342 0.47805808184372 140.908 5 Pr 0.33951680641815 0.36394894489658 0.52194191815628 140.908 6 Pr 0.66048319358185 0.36394894489658 0.97805808184372 140.908 7 Pr 0.66048319358185 0.63605105510342 0.47805808184372 140.908 8 Pr 0.33951680641815 0.63605105510342 0.02194191815628 140.908 9 Ti 0.50000000000000 0.09059395541814 0.25000000000000 47.867 10 Ti 0.00000000000000 0.40940604458186 0.75000000000000 47.867 11 Ti 0.50000000000000 0.90940604458186 0.75000000000000 47.867 12 Ti 0.16330140789946 0.42258226945833 0.12870780596426 47.867 13 Ti 0.33669859210054 0.07741773054167 0.62870780596426 47.867 14 Ti 0.83669859210054 0.57741773054167 0.87129219403574 47.867 15 Ti 0.83669859210054 0.42258226945833 0.37129219403574 47.867 16 Ti 0.00000000000000 0.59059395541814 0.25000000000000 47.867 17 Ti 0.16330140789946 0.57741773054167 0.62870780596426 47.867 18 Ti 0.33669859210054 0.92258226945833 0.12870780596426 47.867 19 Ti 0.66330140789946 0.07741773054167 0.87129219403574 47.867 20 Ti 0.66330140789946 0.92258226945833 0.37129219403574 47.867 21 Cl 0.57399253027063 0.60325146977895 0.98304574243935 35.453 22 Cl 0.42600746972937 0.39674853022105 0.01695425756065 35.453 23 Cl 0.42600746972937 0.60325146977895 0.51695425756065 35.453 24 Cl 0.07399253027063 0.89674853022105 0.01695425756065 35.453 25 Cl 0.07399253027063 0.10325146977895 0.51695425756065 35.453 26 Cl 0.92600746972937 0.89674853022105 0.48304574243935 35.453 27 Cl 0.92600746972937 0.10325146977895 0.98304574243935 35.453 28 Cl 0.57399253027063 0.39674853022105 0.48304574243935 35.453 29 O 0.07684689125495 0.54538957622720 0.93688734504934 15.999 30 O 0.76080453253134 0.53004599376646 0.16958514965886 15.999 31 O 0.23919546746865 0.53004599376646 0.33041485034114 15.999 32 O 0.22147395620303 0.29763486614026 0.24992848936199 15.999 33 O 0.26080453253135 0.03004599376646 0.33041485034114 15.999 34 O 0.58159301272032 0.18217210431822 0.07471208447027 15.999 35 O 0.77852604379697 0.70236513385974 0.75007151063801 15.999 36 O 0.72147395620303 0.20236513385974 0.75007151063801 15.999 37 O 0.73919546746866 0.03004599376646 0.16958514965886 15.999 38 O 0.26080453253135 0.96995400623354 0.83041485034114 15.999 39 O 0.58159301272032 0.81782789568178 0.57471208447027 15.999 40 O 0.72147395620303 0.79763486614026 0.25007151063801 15.999 41 O 0.42315310874505 0.95461042377280 0.43688734504934 15.999 42 O 0.91840698727968 0.31782789568178 0.57471208447027 15.999 43 O 0.73919546746866 0.96995400623354 0.66958514965886 15.999 44 O 0.92315310874505 0.54538957622720 0.56311265495066 15.999 45 O 0.57684689125495 0.04538957622720 0.56311265495066 15.999 46 O 0.91840698727968 0.68217210431822 0.07471208447027 15.999 47 O 0.22147395620303 0.70236513385974 0.74992848936199 15.999 48 O 0.92315310874505 0.45461042377279 0.06311265495066 15.999 49 O 0.23919546746865 0.46995400623354 0.83041485034114 15.999 50 O 0.41840698727968 0.81782789568178 0.92528791552973 15.999 51 O 0.57684689125495 0.95461042377280 0.06311265495066 15.999 52 O 0.08159301272032 0.68217210431822 0.42528791552973 15.999 53 O 0.76080453253134 0.46995400623354 0.66958514965886 15.999 54 O 0.08159301272032 0.31782789568178 0.92528791552973 15.999 55 O 0.27852604379697 0.79763486614026 0.24992848936199 15.999 56 O 0.42315310874505 0.04538957622720 0.93688734504934 15.999 57 O 0.07684689125495 0.45461042377279 0.43688734504934 15.999 58 O 0.41840698727968 0.18217210431822 0.42528791552973 15.999 59 O 0.77852604379697 0.29763486614026 0.25007151063801 15.999 60 O 0.27852604379697 0.20236513385974 0.74992848936199 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.697771009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.572445349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.059781299999999 Atomic positions (fractional): 1 Pr 0.16048319358185 0.86394894489658 0.26097095907814 140.908 > 1 2 Pr 0.16048319358185 0.86394894489658 0.76097095907814 140.908 > 1 3 Pr 0.83951680641815 0.86394894489658 0.48902904092186 140.908 > 3 4 Pr 0.83951680641815 0.86394894489658 0.98902904092186 140.908 > 3 5 Pr 0.16048319358185 0.13605105510342 0.01097095907814 140.908 > 5 6 Pr 0.16048319358185 0.13605105510342 0.51097095907814 140.908 > 5 7 Pr 0.83951680641815 0.13605105510342 0.23902904092186 140.908 > 7 8 Pr 0.83951680641815 0.13605105510342 0.73902904092186 140.908 > 7 9 Pr 0.33951680641815 0.36394894489658 0.26097095907814 140.908 > 9 10 Pr 0.33951680641815 0.36394894489658 0.76097095907814 140.908 > 9 11 Pr 0.66048319358185 0.36394894489658 0.48902904092186 140.908 > 11 12 Pr 0.66048319358185 0.36394894489658 0.98902904092186 140.908 > 11 13 Pr 0.66048319358185 0.63605105510342 0.23902904092186 140.908 > 13 14 Pr 0.66048319358185 0.63605105510342 0.73902904092186 140.908 > 13 15 Pr 0.33951680641815 0.63605105510342 0.01097095907814 140.908 > 15 16 Pr 0.33951680641815 0.63605105510342 0.51097095907814 140.908 > 15 17 Ti 0.50000000000000 0.09059395541814 0.12500000000000 47.867 > 17 18 Ti 0.50000000000000 0.09059395541814 0.62500000000000 47.867 > 17 19 Ti 0.00000000000000 0.40940604458186 0.37500000000000 47.867 > 19 20 Ti 0.00000000000000 0.40940604458186 0.87500000000000 47.867 > 19 21 Ti 0.50000000000000 0.90940604458186 0.37500000000000 47.867 > 21 22 Ti 0.50000000000000 0.90940604458186 0.87500000000000 47.867 > 21 23 Ti 0.16330140789946 0.42258226945833 0.06435390298213 47.867 > 23 24 Ti 0.16330140789946 0.42258226945833 0.56435390298213 47.867 > 23 25 Ti 0.33669859210054 0.07741773054167 0.31435390298213 47.867 > 25 26 Ti 0.33669859210054 0.07741773054167 0.81435390298213 47.867 > 25 27 Ti 0.83669859210054 0.57741773054167 0.43564609701787 47.867 > 27 28 Ti 0.83669859210054 0.57741773054167 0.93564609701787 47.867 > 27 29 Ti 0.83669859210054 0.42258226945833 0.18564609701787 47.867 > 29 30 Ti 0.83669859210054 0.42258226945833 0.68564609701787 47.867 > 29 31 Ti 0.00000000000000 0.59059395541814 0.12500000000000 47.867 > 31 32 Ti 0.00000000000000 0.59059395541814 0.62500000000000 47.867 > 31 33 Ti 0.16330140789946 0.57741773054167 0.31435390298213 47.867 > 33 34 Ti 0.16330140789946 0.57741773054167 0.81435390298213 47.867 > 33 35 Ti 0.33669859210054 0.92258226945833 0.06435390298213 47.867 > 35 36 Ti 0.33669859210054 0.92258226945833 0.56435390298213 47.867 > 35 37 Ti 0.66330140789946 0.07741773054167 0.43564609701787 47.867 > 37 38 Ti 0.66330140789946 0.07741773054167 0.93564609701787 47.867 > 37 39 Ti 0.66330140789946 0.92258226945833 0.18564609701787 47.867 > 39 40 Ti 0.66330140789946 0.92258226945833 0.68564609701787 47.867 > 39 41 Cl 0.57399253027063 0.60325146977895 0.49152287121967 35.453 > 41 42 Cl 0.57399253027063 0.60325146977895 0.99152287121967 35.453 > 41 43 Cl 0.42600746972937 0.39674853022105 0.00847712878033 35.453 > 43 44 Cl 0.42600746972937 0.39674853022105 0.50847712878033 35.453 > 43 45 Cl 0.42600746972937 0.60325146977895 0.25847712878033 35.453 > 45 46 Cl 0.42600746972937 0.60325146977895 0.75847712878033 35.453 > 45 47 Cl 0.07399253027063 0.89674853022105 0.00847712878033 35.453 > 47 48 Cl 0.07399253027063 0.89674853022105 0.50847712878033 35.453 > 47 49 Cl 0.07399253027063 0.10325146977895 0.25847712878033 35.453 > 49 50 Cl 0.07399253027063 0.10325146977895 0.75847712878033 35.453 > 49 51 Cl 0.92600746972937 0.89674853022105 0.24152287121967 35.453 > 51 52 Cl 0.92600746972937 0.89674853022105 0.74152287121967 35.453 > 51 53 Cl 0.92600746972937 0.10325146977895 0.49152287121967 35.453 > 53 54 Cl 0.92600746972937 0.10325146977895 0.99152287121967 35.453 > 53 55 Cl 0.57399253027063 0.39674853022105 0.24152287121967 35.453 > 55 56 Cl 0.57399253027063 0.39674853022105 0.74152287121967 35.453 > 55 57 O 0.07684689125495 0.54538957622720 0.46844367252467 15.999 > 57 58 O 0.07684689125495 0.54538957622720 0.96844367252467 15.999 > 57 59 O 0.76080453253134 0.53004599376646 0.08479257482943 15.999 > 59 60 O 0.76080453253134 0.53004599376646 0.58479257482943 15.999 > 59 61 O 0.23919546746865 0.53004599376646 0.16520742517057 15.999 > 61 62 O 0.23919546746865 0.53004599376646 0.66520742517057 15.999 > 61 63 O 0.22147395620303 0.29763486614026 0.12496424468099 15.999 > 63 64 O 0.22147395620303 0.29763486614026 0.62496424468099 15.999 > 63 65 O 0.26080453253135 0.03004599376646 0.16520742517057 15.999 > 65 66 O 0.26080453253135 0.03004599376646 0.66520742517057 15.999 > 65 67 O 0.58159301272032 0.18217210431822 0.03735604223513 15.999 > 67 68 O 0.58159301272032 0.18217210431822 0.53735604223513 15.999 > 67 69 O 0.77852604379697 0.70236513385974 0.37503575531901 15.999 > 69 70 O 0.77852604379697 0.70236513385974 0.87503575531901 15.999 > 69 71 O 0.72147395620303 0.20236513385974 0.37503575531901 15.999 > 71 72 O 0.72147395620303 0.20236513385974 0.87503575531901 15.999 > 71 73 O 0.73919546746866 0.03004599376646 0.08479257482943 15.999 > 73 74 O 0.73919546746866 0.03004599376646 0.58479257482943 15.999 > 73 75 O 0.26080453253135 0.96995400623354 0.41520742517057 15.999 > 75 76 O 0.26080453253135 0.96995400623354 0.91520742517057 15.999 > 75 77 O 0.58159301272032 0.81782789568178 0.28735604223513 15.999 > 77 78 O 0.58159301272032 0.81782789568178 0.78735604223513 15.999 > 77 79 O 0.72147395620303 0.79763486614026 0.12503575531901 15.999 > 79 80 O 0.72147395620303 0.79763486614026 0.62503575531901 15.999 > 79 81 O 0.42315310874505 0.95461042377280 0.21844367252467 15.999 > 81 82 O 0.42315310874505 0.95461042377280 0.71844367252467 15.999 > 81 83 O 0.91840698727968 0.31782789568178 0.28735604223513 15.999 > 83 84 O 0.91840698727968 0.31782789568178 0.78735604223513 15.999 > 83 85 O 0.73919546746866 0.96995400623354 0.33479257482943 15.999 > 85 86 O 0.73919546746866 0.96995400623354 0.83479257482943 15.999 > 85 87 O 0.92315310874505 0.54538957622720 0.28155632747533 15.999 > 87 88 O 0.92315310874505 0.54538957622720 0.78155632747533 15.999 > 87 89 O 0.57684689125495 0.04538957622720 0.28155632747533 15.999 > 89 90 O 0.57684689125495 0.04538957622720 0.78155632747533 15.999 > 89 91 O 0.91840698727968 0.68217210431822 0.03735604223513 15.999 > 91 92 O 0.91840698727968 0.68217210431822 0.53735604223513 15.999 > 91 93 O 0.22147395620303 0.70236513385974 0.37496424468099 15.999 > 93 94 O 0.22147395620303 0.70236513385974 0.87496424468099 15.999 > 93 95 O 0.92315310874505 0.45461042377279 0.03155632747533 15.999 > 95 96 O 0.92315310874505 0.45461042377279 0.53155632747533 15.999 > 95 97 O 0.23919546746865 0.46995400623354 0.41520742517057 15.999 > 97 98 O 0.23919546746865 0.46995400623354 0.91520742517057 15.999 > 97 99 O 0.41840698727968 0.81782789568178 0.46264395776487 15.999 > 99 100 O 0.41840698727968 0.81782789568178 0.96264395776487 15.999 > 99 101 O 0.57684689125495 0.95461042377280 0.03155632747533 15.999 > 101 102 O 0.57684689125495 0.95461042377280 0.53155632747533 15.999 > 101 103 O 0.08159301272032 0.68217210431822 0.21264395776487 15.999 > 103 104 O 0.08159301272032 0.68217210431822 0.71264395776487 15.999 > 103 105 O 0.76080453253134 0.46995400623354 0.33479257482943 15.999 > 105 106 O 0.76080453253134 0.46995400623354 0.83479257482943 15.999 > 105 107 O 0.08159301272032 0.31782789568178 0.46264395776487 15.999 > 107 108 O 0.08159301272032 0.31782789568178 0.96264395776487 15.999 > 107 109 O 0.27852604379697 0.79763486614026 0.12496424468099 15.999 > 109 110 O 0.27852604379697 0.79763486614026 0.62496424468099 15.999 > 109 111 O 0.42315310874505 0.04538957622720 0.46844367252467 15.999 > 111 112 O 0.42315310874505 0.04538957622720 0.96844367252467 15.999 > 111 113 O 0.07684689125495 0.45461042377279 0.21844367252467 15.999 > 113 114 O 0.07684689125495 0.45461042377279 0.71844367252467 15.999 > 113 115 O 0.41840698727968 0.18217210431822 0.21264395776487 15.999 > 115 116 O 0.41840698727968 0.18217210431822 0.71264395776487 15.999 > 115 117 O 0.77852604379697 0.29763486614026 0.12503575531901 15.999 > 117 118 O 0.77852604379697 0.29763486614026 0.62503575531901 15.999 > 117 119 O 0.27852604379697 0.20236513385974 0.37496424468099 15.999 > 119 120 O 0.27852604379697 0.20236513385974 0.87496424468099 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0727233 0.0000000 0.0000000 0.0000000 4.6699339 0.0000000 0.0000000 0.0000000 5.2892018 -------------------------- Born effective charges -------------------------- 1 Pr 4.3346391 0.6707837 -0.2397113 0.2898808 4.6950892 -0.2559242 -0.2997411 0.4247068 4.1256444 2 Pr 4.3346391 -0.6707837 -0.2397113 -0.2898808 4.6950892 0.2559242 -0.2997411 -0.4247068 4.1256444 3 Pr 4.3346391 -0.6707837 -0.2397113 -0.2898808 4.6950892 0.2559242 -0.2997411 -0.4247068 4.1256444 4 Pr 4.3346391 0.6707837 -0.2397113 0.2898808 4.6950892 -0.2559242 -0.2997411 0.4247068 4.1256444 5 Pr 4.3346391 -0.6707837 0.2397113 -0.2898808 4.6950892 -0.2559242 0.2997411 0.4247068 4.1256444 6 Pr 4.3346391 0.6707837 0.2397113 0.2898808 4.6950892 0.2559242 0.2997411 -0.4247068 4.1256444 7 Pr 4.3346391 -0.6707837 0.2397113 -0.2898808 4.6950892 -0.2559242 0.2997411 0.4247068 4.1256444 8 Pr 4.3346391 0.6707837 0.2397113 0.2898808 4.6950892 0.2559242 0.2997411 -0.4247068 4.1256444 9 Ti 5.7958759 0.0000000 -0.8102990 0.0000000 3.2466796 0.0000000 -0.6128549 -0.0000000 5.8835883 10 Ti 5.7958759 0.0000000 0.8102990 0.0000000 3.2466796 0.0000000 0.6128549 -0.0000000 5.8835883 11 Ti 5.7958759 0.0000000 -0.8102990 0.0000000 3.2466796 0.0000000 -0.6128549 -0.0000000 5.8835883 12 Ti 4.5498697 -0.1711241 0.3638304 -0.1098142 4.2328240 -0.3043704 0.0659868 0.6142395 5.5981936 13 Ti 4.5498697 -0.1711241 -0.3638304 -0.1098142 4.2328240 0.3043704 -0.0659868 -0.6142395 5.5981936 14 Ti 4.5498697 -0.1711241 0.3638304 -0.1098142 4.2328240 -0.3043704 0.0659868 0.6142395 5.5981936 15 Ti 4.5498697 0.1711241 0.3638304 0.1098142 4.2328240 0.3043704 0.0659868 -0.6142395 5.5981936 16 Ti 5.7958759 0.0000000 0.8102990 0.0000000 3.2466796 0.0000000 0.6128549 -0.0000000 5.8835883 17 Ti 4.5498697 0.1711241 0.3638304 0.1098142 4.2328240 0.3043704 0.0659868 -0.6142395 5.5981936 18 Ti 4.5498697 0.1711241 -0.3638304 0.1098142 4.2328240 -0.3043704 -0.0659868 0.6142395 5.5981936 19 Ti 4.5498697 0.1711241 -0.3638304 0.1098142 4.2328240 -0.3043704 -0.0659868 0.6142395 5.5981936 20 Ti 4.5498697 -0.1711241 -0.3638304 -0.1098142 4.2328240 0.3043704 -0.0659868 -0.6142395 5.5981936 21 Cl -1.2731968 0.1776510 -0.0250183 0.1396459 -1.0589736 -0.0209219 -0.0348683 -0.0686004 -1.7766273 22 Cl -1.2731968 0.1776510 -0.0250183 0.1396459 -1.0589736 -0.0209219 -0.0348683 -0.0686004 -1.7766273 23 Cl -1.2731968 -0.1776510 -0.0250183 -0.1396459 -1.0589736 0.0209219 -0.0348683 0.0686004 -1.7766273 24 Cl -1.2731968 -0.1776510 0.0250183 -0.1396459 -1.0589736 -0.0209219 0.0348683 -0.0686004 -1.7766273 25 Cl -1.2731968 0.1776510 0.0250183 0.1396459 -1.0589736 0.0209219 0.0348683 0.0686004 -1.7766273 26 Cl -1.2731968 0.1776510 0.0250183 0.1396459 -1.0589736 0.0209219 0.0348683 0.0686004 -1.7766273 27 Cl -1.2731968 -0.1776510 0.0250183 -0.1396459 -1.0589736 -0.0209219 0.0348683 -0.0686004 -1.7766273 28 Cl -1.2731968 -0.1776510 -0.0250183 -0.1396459 -1.0589736 0.0209219 -0.0348683 0.0686004 -1.7766273 29 O -2.6684969 0.0888904 0.8766376 0.1719748 -1.5426247 -0.0617941 1.0756320 -0.1875803 -3.5863366 30 O -2.5307347 0.3114784 0.4265387 0.2094113 -2.0109195 0.4789589 0.4926536 0.7747804 -3.2902983 31 O -2.5307347 -0.3114784 0.4265387 -0.2094113 -2.0109195 -0.4789589 0.4926536 -0.7747804 -3.2902983 32 O -2.2604538 0.7680321 -1.0242152 0.5711205 -3.3203033 0.1973722 -1.0566310 -0.0841541 -1.8265791 33 O -2.5307347 0.3114784 -0.4265387 0.2094113 -2.0109195 -0.4789589 -0.4926536 -0.7747804 -3.2902983 34 O -3.0495646 -0.8405605 1.5202179 -0.5951719 -2.6184319 0.2430465 1.5135610 0.2079999 -2.1857909 35 O -2.2604538 0.7680321 -1.0242152 0.5711205 -3.3203033 0.1973722 -1.0566310 -0.0841541 -1.8265791 36 O -2.2604538 -0.7680321 1.0242152 -0.5711205 -3.3203033 0.1973722 1.0566310 -0.0841541 -1.8265791 37 O -2.5307347 -0.3114784 -0.4265387 -0.2094113 -2.0109195 0.4789589 -0.4926536 0.7747804 -3.2902983 38 O -2.5307347 -0.3114784 -0.4265387 -0.2094113 -2.0109195 0.4789589 -0.4926536 0.7747804 -3.2902983 39 O -3.0495646 0.8405605 1.5202179 0.5951719 -2.6184319 -0.2430465 1.5135610 -0.2079999 -2.1857909 40 O -2.2604538 0.7680321 1.0242152 0.5711205 -3.3203033 -0.1973722 1.0566310 0.0841541 -1.8265791 41 O -2.6684969 0.0888904 -0.8766376 0.1719748 -1.5426247 0.0617941 -1.0756320 0.1875803 -3.5863366 42 O -3.0495646 -0.8405605 -1.5202179 -0.5951719 -2.6184319 -0.2430465 -1.5135610 -0.2079999 -2.1857909 43 O -2.5307347 0.3114784 -0.4265387 0.2094113 -2.0109195 -0.4789589 -0.4926536 -0.7747804 -3.2902983 44 O -2.6684969 -0.0888904 0.8766376 -0.1719748 -1.5426247 0.0617941 1.0756320 0.1875803 -3.5863366 45 O -2.6684969 0.0888904 -0.8766376 0.1719748 -1.5426247 0.0617941 -1.0756320 0.1875803 -3.5863366 46 O -3.0495646 0.8405605 -1.5202179 0.5951719 -2.6184319 0.2430465 -1.5135610 0.2079999 -2.1857909 47 O -2.2604538 -0.7680321 -1.0242152 -0.5711205 -3.3203033 -0.1973722 -1.0566310 0.0841541 -1.8265791 48 O -2.6684969 0.0888904 0.8766376 0.1719748 -1.5426247 -0.0617941 1.0756320 -0.1875803 -3.5863366 49 O -2.5307347 0.3114784 0.4265387 0.2094113 -2.0109195 0.4789589 0.4926536 0.7747804 -3.2902983 50 O -3.0495646 -0.8405605 1.5202179 -0.5951719 -2.6184319 0.2430465 1.5135610 0.2079999 -2.1857909 51 O -2.6684969 -0.0888904 -0.8766376 -0.1719748 -1.5426247 -0.0617941 -1.0756320 -0.1875803 -3.5863366 52 O -3.0495646 -0.8405605 -1.5202179 -0.5951719 -2.6184319 -0.2430465 -1.5135610 -0.2079999 -2.1857909 53 O -2.5307347 -0.3114784 0.4265387 -0.2094113 -2.0109195 -0.4789589 0.4926536 -0.7747804 -3.2902983 54 O -3.0495646 0.8405605 -1.5202179 0.5951719 -2.6184319 0.2430465 -1.5135610 0.2079999 -2.1857909 55 O -2.2604538 -0.7680321 1.0242152 -0.5711205 -3.3203033 0.1973722 1.0566310 -0.0841541 -1.8265791 56 O -2.6684969 -0.0888904 -0.8766376 -0.1719748 -1.5426247 -0.0617941 -1.0756320 -0.1875803 -3.5863366 57 O -2.6684969 -0.0888904 0.8766376 -0.1719748 -1.5426247 0.0617941 1.0756320 0.1875803 -3.5863366 58 O -3.0495646 0.8405605 1.5202179 0.5951719 -2.6184319 -0.2430465 1.5135610 -0.2079999 -2.1857909 59 O -2.2604538 -0.7680321 -1.0242152 -0.5711205 -3.3203033 -0.1973722 -1.0566310 0.0841541 -1.8265791 60 O -2.2604538 0.7680321 1.0242152 0.5711205 -3.3203033 -0.1973722 1.0566310 0.0841541 -1.8265791 ---------------------------------------------------------------------------- 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 ... [ 3 4 10 ] 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: 0.44, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 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 1.602 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.560 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.484 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.706 ( 0.000 0.000 0.000) 0.000 12.002 ( 0.000 0.000 0.000) 0.000 12.155 ( 0.000 0.000 0.000) 0.000 12.197 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.371 ( 0.000 0.000 0.000) 0.000 12.637 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.350 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 0.000 0.000) 0.000 14.131 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 14.706 ( 0.000 0.000 0.000) 0.000 14.751 ( 0.000 0.000 0.000) 0.000 15.378 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.978 ( 0.000 0.000 0.000) 0.000 16.286 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 0.000 0.000) 0.000 16.933 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 0.000) 0.000 17.196 ( 0.000 0.000 0.000) 0.000 17.263 ( 0.000 0.000 0.000) 0.000 17.364 ( 0.000 0.000 0.000) 0.000 17.696 ( 0.000 0.000 0.000) 0.000 17.751 ( 0.000 0.000 0.000) 0.000 18.405 ( 0.000 0.000 0.000) 0.000 18.482 ( 0.000 0.000 0.000) 0.000 18.556 ( 0.000 0.000 0.000) 0.000 19.417 ( 0.000 0.000 0.000) 0.000 19.569 ( 0.000 0.000 0.000) 0.000 19.706 ( 0.000 0.000 0.000) 0.000 20.025 ( 0.000 0.000 0.000) 0.000 20.477 ( 0.000 0.000 0.000) 0.000 21.251 ( 0.000 0.000 0.000) 0.000 21.823 ( 0.000 0.000 0.000) 0.000 21.937 ( 0.000 0.000 0.000) 0.000 21.967 ( 0.000 0.000 0.000) 0.000 21.997 ( 0.000 0.000 0.000) 0.000 22.100 ( 0.000 0.000 0.000) 0.000 22.149 ( 0.000 0.000 0.000) 0.000 22.248 ( 0.000 0.000 0.000) 0.000 22.368 ( 0.000 0.000 0.000) 0.000 22.964 ( 0.000 0.000 0.000) 0.000 23.141 ( 0.000 0.000 0.000) 0.000 23.734 ( 0.000 0.000 0.000) 0.000 23.875 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 28.628 0.000 0.000) 28.628 0.869 ( 36.193 0.000 0.000) 36.193 1.026 ( 41.511 0.000 0.000) 41.511 1.273 ( -23.218 0.000 0.000) 23.218 1.601 ( -27.365 0.000 0.000) 27.365 1.801 ( -25.560 0.000 0.000) 25.560 2.215 ( 11.673 0.000 0.000) 11.673 2.284 ( 4.431 0.000 0.000) 4.431 2.363 ( -0.306 0.000 0.000) 0.306 2.528 ( -6.933 0.000 0.000) 6.933 2.649 ( -2.663 0.000 0.000) 2.663 2.676 ( 11.720 0.000 0.000) 11.720 2.774 ( -5.714 0.000 0.000) 5.714 2.828 ( 7.421 0.000 0.000) 7.421 2.886 ( 12.554 0.000 0.000) 12.554 2.946 ( -9.031 0.000 0.000) 9.031 3.011 ( -6.858 0.000 0.000) 6.858 3.092 ( -3.962 0.000 0.000) 3.962 3.193 ( 0.901 0.000 0.000) 0.901 3.230 ( -2.073 0.000 0.000) 2.073 3.364 ( 4.327 0.000 0.000) 4.327 3.469 ( -3.894 0.000 0.000) 3.894 3.631 ( 4.227 0.000 0.000) 4.227 3.698 ( 0.700 0.000 0.000) 0.700 3.709 ( 0.137 0.000 0.000) 0.137 3.712 ( -2.957 0.000 0.000) 2.957 3.797 ( -0.288 0.000 0.000) 0.288 3.840 ( -4.006 0.000 0.000) 4.006 3.948 ( 3.214 0.000 0.000) 3.214 3.991 ( 6.380 0.000 0.000) 6.380 4.020 ( -2.441 0.000 0.000) 2.441 4.138 ( -8.329 0.000 0.000) 8.329 4.237 ( 3.619 0.000 0.000) 3.619 4.309 ( 0.412 0.000 0.000) 0.412 4.363 ( -7.011 0.000 0.000) 7.011 4.402 ( -6.299 0.000 0.000) 6.299 4.634 ( 2.234 0.000 0.000) 2.234 4.642 ( 0.746 0.000 0.000) 0.746 4.765 ( 7.690 0.000 0.000) 7.690 4.806 ( -0.820 0.000 0.000) 0.820 4.851 ( -2.219 0.000 0.000) 2.219 4.941 ( -4.298 0.000 0.000) 4.298 5.028 ( 1.468 0.000 0.000) 1.468 5.131 ( -6.505 0.000 0.000) 6.505 5.181 ( 7.230 0.000 0.000) 7.230 5.247 ( -0.395 0.000 0.000) 0.395 5.248 ( -0.478 0.000 0.000) 0.478 5.325 ( -5.053 0.000 0.000) 5.053 5.432 ( 2.793 0.000 0.000) 2.793 5.436 ( 14.050 0.000 0.000) 14.050 5.437 ( 1.792 0.000 0.000) 1.792 5.500 ( 5.729 0.000 0.000) 5.729 5.583 ( -0.209 0.000 0.000) 0.209 5.649 ( -2.841 0.000 0.000) 2.841 5.863 ( 1.849 0.000 0.000) 1.849 5.970 ( -5.591 0.000 0.000) 5.591 6.054 ( 0.987 0.000 0.000) 0.987 6.080 ( -0.472 0.000 0.000) 0.472 6.210 ( 4.870 0.000 0.000) 4.870 6.303 ( -2.402 0.000 0.000) 2.402 6.319 ( 3.653 0.000 0.000) 3.653 6.350 ( -0.094 0.000 0.000) 0.094 6.379 ( -2.399 0.000 0.000) 2.399 6.395 ( -1.882 0.000 0.000) 1.882 6.498 ( 3.127 0.000 0.000) 3.127 6.573 ( 5.200 0.000 0.000) 5.200 6.598 ( -5.833 0.000 0.000) 5.833 6.630 ( -2.197 0.000 0.000) 2.197 6.659 ( -5.668 0.000 0.000) 5.668 6.693 ( -3.886 0.000 0.000) 3.886 6.858 ( 1.102 0.000 0.000) 1.102 6.923 ( -3.155 0.000 0.000) 3.155 6.949 ( 0.093 0.000 0.000) 0.093 6.963 ( 0.735 0.000 0.000) 0.735 7.123 ( 3.714 0.000 0.000) 3.714 7.142 ( 7.721 0.000 0.000) 7.721 7.178 ( -0.770 0.000 0.000) 0.770 7.259 ( -1.727 0.000 0.000) 1.727 7.422 ( 1.527 0.000 0.000) 1.527 7.492 ( 2.494 0.000 0.000) 2.494 7.537 ( 0.291 0.000 0.000) 0.291 7.577 ( -10.970 0.000 0.000) 10.970 7.796 ( -5.535 0.000 0.000) 5.535 7.809 ( -3.467 0.000 0.000) 3.467 8.056 ( 2.306 0.000 0.000) 2.306 8.077 ( 2.615 0.000 0.000) 2.615 8.143 ( 0.776 0.000 0.000) 0.776 8.145 ( 7.009 0.000 0.000) 7.009 8.151 ( 1.366 0.000 0.000) 1.366 8.314 ( -5.566 0.000 0.000) 5.566 8.359 ( 1.427 0.000 0.000) 1.427 8.398 ( -1.659 0.000 0.000) 1.659 8.600 ( 4.192 0.000 0.000) 4.192 8.689 ( -1.873 0.000 0.000) 1.873 8.703 ( 2.282 0.000 0.000) 2.282 8.728 ( -0.983 0.000 0.000) 0.983 9.065 ( 2.219 0.000 0.000) 2.219 9.114 ( -1.711 0.000 0.000) 1.711 9.442 ( 2.485 0.000 0.000) 2.485 9.474 ( 2.450 0.000 0.000) 2.450 9.517 ( -3.420 0.000 0.000) 3.420 9.538 ( -2.787 0.000 0.000) 2.787 9.658 ( 2.717 0.000 0.000) 2.717 9.720 ( -2.131 0.000 0.000) 2.131 9.853 ( -0.002 0.000 0.000) 0.002 9.865 ( -0.733 0.000 0.000) 0.733 10.564 ( 0.549 0.000 0.000) 0.549 10.571 ( 3.704 0.000 0.000) 3.704 10.587 ( -1.233 0.000 0.000) 1.233 10.669 ( -4.109 0.000 0.000) 4.109 10.882 ( 2.095 0.000 0.000) 2.095 10.938 ( -2.478 0.000 0.000) 2.478 11.083 ( 3.127 0.000 0.000) 3.127 11.159 ( -2.912 0.000 0.000) 2.912 11.513 ( 2.672 0.000 0.000) 2.672 11.585 ( -2.974 0.000 0.000) 2.974 11.649 ( 2.726 0.000 0.000) 2.726 11.651 ( 8.454 0.000 0.000) 8.454 11.696 ( -1.158 0.000 0.000) 1.158 11.871 ( -9.542 0.000 0.000) 9.542 12.162 ( 0.663 0.000 0.000) 0.663 12.183 ( -1.004 0.000 0.000) 1.004 12.366 ( 1.334 0.000 0.000) 1.334 12.377 ( 0.200 0.000 0.000) 0.200 12.655 ( 1.476 0.000 0.000) 1.476 12.692 ( -1.515 0.000 0.000) 1.515 13.192 ( 4.693 0.000 0.000) 4.693 13.305 ( -4.091 0.000 0.000) 4.091 13.436 ( 3.015 0.000 0.000) 3.015 13.497 ( -2.020 0.000 0.000) 2.020 13.758 ( -0.300 0.000 0.000) 0.300 13.801 ( -3.768 0.000 0.000) 3.768 13.963 ( 1.903 0.000 0.000) 1.903 13.975 ( 1.079 0.000 0.000) 1.079 13.980 ( 0.345 0.000 0.000) 0.345 14.007 ( -1.681 0.000 0.000) 1.681 14.169 ( 2.561 0.000 0.000) 2.561 14.208 ( -0.696 0.000 0.000) 0.696 14.357 ( 1.610 0.000 0.000) 1.610 14.368 ( 1.696 0.000 0.000) 1.696 14.407 ( -2.512 0.000 0.000) 2.512 14.463 ( -6.882 0.000 0.000) 6.882 14.601 ( 4.217 0.000 0.000) 4.217 14.700 ( -3.971 0.000 0.000) 3.971 14.994 ( 13.623 0.000 0.000) 13.623 15.262 ( -9.325 0.000 0.000) 9.325 15.775 ( 6.091 0.000 0.000) 6.091 15.842 ( 10.115 0.000 0.000) 10.115 15.923 ( -5.303 0.000 0.000) 5.303 16.110 ( -11.926 0.000 0.000) 11.926 16.712 ( 7.026 0.000 0.000) 7.026 16.860 ( -5.554 0.000 0.000) 5.554 17.065 ( 1.120 0.000 0.000) 1.120 17.142 ( -4.145 0.000 0.000) 4.145 17.409 ( 9.171 0.000 0.000) 9.171 17.463 ( 7.569 0.000 0.000) 7.569 17.605 ( -7.237 0.000 0.000) 7.237 17.651 ( -7.714 0.000 0.000) 7.714 18.397 ( -0.450 0.000 0.000) 0.450 18.407 ( -1.942 0.000 0.000) 1.942 18.752 ( 12.041 0.000 0.000) 12.041 19.071 ( -16.048 0.000 0.000) 16.048 19.417 ( 8.703 0.000 0.000) 8.703 19.617 ( -7.374 0.000 0.000) 7.374 19.951 ( 18.601 0.000 0.000) 18.601 20.316 ( -12.775 0.000 0.000) 12.775 21.387 ( 10.180 0.000 0.000) 10.180 21.640 ( -11.039 0.000 0.000) 11.039 21.988 ( 1.620 0.000 0.000) 1.620 22.008 ( 0.528 0.000 0.000) 0.528 22.046 ( 4.851 0.000 0.000) 4.851 22.064 ( -1.150 0.000 0.000) 1.150 22.076 ( -1.665 0.000 0.000) 1.665 22.125 ( -2.175 0.000 0.000) 2.175 22.279 ( 2.452 0.000 0.000) 2.452 22.339 ( -2.354 0.000 0.000) 2.354 23.015 ( 3.954 0.000 0.000) 3.954 23.108 ( -3.501 0.000 0.000) 3.501 23.769 ( 2.794 0.000 0.000) 2.794 23.839 ( -2.830 0.000 0.000) 2.830 ======================= Grid point 3 (3/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 29.218 0.000) 29.218 0.614 ( 0.000 29.130 0.000) 29.130 1.106 ( 0.000 50.476 0.000) 50.476 1.704 ( 0.000 -2.221 0.000) 2.221 1.793 ( 0.000 -20.883 0.000) 20.883 1.939 ( 0.000 -3.685 0.000) 3.685 2.038 ( 0.000 2.407 0.000) 2.407 2.189 ( 0.000 -5.671 0.000) 5.671 2.265 ( 0.000 4.103 0.000) 4.103 2.477 ( 0.000 -2.079 0.000) 2.079 2.550 ( 0.000 -9.125 0.000) 9.125 2.696 ( 0.000 8.879 0.000) 8.879 2.772 ( 0.000 -7.252 0.000) 7.252 2.867 ( 0.000 6.752 0.000) 6.752 2.902 ( 0.000 4.187 0.000) 4.187 3.041 ( 0.000 -0.129 0.000) 0.129 3.063 ( 0.000 -2.640 0.000) 2.640 3.070 ( 0.000 -5.868 0.000) 5.868 3.118 ( 0.000 -5.687 0.000) 5.687 3.206 ( 0.000 -4.820 0.000) 4.820 3.336 ( 0.000 2.780 0.000) 2.780 3.406 ( 0.000 -11.094 0.000) 11.094 3.412 ( 0.000 -7.162 0.000) 7.162 3.435 ( 0.000 -9.790 0.000) 9.790 3.576 ( 0.000 -23.071 0.000) 23.071 3.653 ( 0.000 -7.851 0.000) 7.851 3.789 ( 0.000 1.511 0.000) 1.511 3.798 ( 0.000 2.974 0.000) 2.974 3.938 ( 0.000 3.287 0.000) 3.287 4.028 ( 0.000 -1.281 0.000) 1.281 4.084 ( 0.000 7.112 0.000) 7.112 4.207 ( 0.000 2.178 0.000) 2.178 4.234 ( 0.000 -3.541 0.000) 3.541 4.318 ( 0.000 -0.536 0.000) 0.536 4.367 ( 0.000 -4.562 0.000) 4.562 4.384 ( 0.000 8.986 0.000) 8.986 4.396 ( 0.000 -6.452 0.000) 6.452 4.599 ( 0.000 5.385 0.000) 5.385 4.645 ( 0.000 1.293 0.000) 1.293 4.865 ( 0.000 -5.779 0.000) 5.779 4.956 ( 0.000 1.853 0.000) 1.853 5.000 ( 0.000 0.026 0.000) 0.026 5.012 ( 0.000 -0.628 0.000) 0.628 5.161 ( 0.000 -3.607 0.000) 3.607 5.234 ( 0.000 1.801 0.000) 1.801 5.238 ( 0.000 2.217 0.000) 2.217 5.280 ( 0.000 0.434 0.000) 0.434 5.331 ( 0.000 -1.500 0.000) 1.500 5.375 ( 0.000 1.516 0.000) 1.516 5.429 ( 0.000 -0.811 0.000) 0.811 5.470 ( 0.000 6.532 0.000) 6.532 5.527 ( 0.000 22.248 0.000) 22.248 5.691 ( 0.000 8.458 0.000) 8.458 5.800 ( 0.000 -4.890 0.000) 4.890 5.908 ( 0.000 -1.305 0.000) 1.305 6.022 ( 0.000 -1.817 0.000) 1.817 6.053 ( 0.000 0.839 0.000) 0.839 6.077 ( 0.000 0.120 0.000) 0.120 6.178 ( 0.000 2.465 0.000) 2.465 6.325 ( 0.000 4.176 0.000) 4.176 6.350 ( 0.000 1.753 0.000) 1.753 6.358 ( 0.000 2.432 0.000) 2.432 6.375 ( 0.000 -3.713 0.000) 3.713 6.376 ( 0.000 0.991 0.000) 0.991 6.463 ( 0.000 1.124 0.000) 1.124 6.524 ( 0.000 0.485 0.000) 0.485 6.576 ( 0.000 1.934 0.000) 1.934 6.641 ( 0.000 -4.115 0.000) 4.115 6.643 ( 0.000 -4.669 0.000) 4.669 6.774 ( 0.000 -7.016 0.000) 7.016 6.817 ( 0.000 1.871 0.000) 1.871 6.911 ( 0.000 -1.697 0.000) 1.697 6.990 ( 0.000 4.908 0.000) 4.908 7.043 ( 0.000 1.349 0.000) 1.349 7.083 ( 0.000 4.235 0.000) 4.235 7.191 ( 0.000 0.718 0.000) 0.718 7.215 ( 0.000 -2.787 0.000) 2.787 7.284 ( 0.000 -2.105 0.000) 2.105 7.475 ( 0.000 3.901 0.000) 3.901 7.494 ( 0.000 2.456 0.000) 2.456 7.527 ( 0.000 0.929 0.000) 0.929 7.764 ( 0.000 -6.919 0.000) 6.919 7.851 ( 0.000 -0.305 0.000) 0.305 7.851 ( 0.000 -0.402 0.000) 0.402 8.023 ( 0.000 0.302 0.000) 0.302 8.028 ( 0.000 0.487 0.000) 0.487 8.057 ( 0.000 2.627 0.000) 2.627 8.139 ( 0.000 -0.020 0.000) 0.020 8.162 ( 0.000 2.160 0.000) 2.160 8.305 ( 0.000 -3.210 0.000) 3.210 8.355 ( 0.000 -1.321 0.000) 1.321 8.378 ( 0.000 -0.472 0.000) 0.472 8.579 ( 0.000 2.590 0.000) 2.590 8.594 ( 0.000 0.963 0.000) 0.963 8.673 ( 0.000 -1.403 0.000) 1.403 8.723 ( 0.000 -2.819 0.000) 2.819 8.995 ( 0.000 2.410 0.000) 2.410 9.112 ( 0.000 -1.951 0.000) 1.951 9.414 ( 0.000 0.181 0.000) 0.181 9.461 ( 0.000 0.426 0.000) 0.426 9.548 ( 0.000 -0.107 0.000) 0.107 9.628 ( 0.000 -1.243 0.000) 1.243 9.643 ( 0.000 2.084 0.000) 2.084 9.730 ( 0.000 -1.125 0.000) 1.125 9.891 ( 0.000 2.701 0.000) 2.701 10.040 ( 0.000 -2.923 0.000) 2.923 10.549 ( 0.000 2.022 0.000) 2.022 10.568 ( 0.000 0.636 0.000) 0.636 10.600 ( 0.000 -0.452 0.000) 0.452 10.680 ( 0.000 -3.159 0.000) 3.159 10.838 ( 0.000 1.138 0.000) 1.138 10.868 ( 0.000 0.453 0.000) 0.453 11.068 ( 0.000 2.109 0.000) 2.109 11.161 ( 0.000 -1.272 0.000) 1.272 11.501 ( 0.000 1.555 0.000) 1.555 11.572 ( 0.000 2.225 0.000) 2.225 11.600 ( 0.000 -2.022 0.000) 2.022 11.613 ( 0.000 0.389 0.000) 0.389 11.722 ( 0.000 1.384 0.000) 1.384 11.927 ( 0.000 -6.072 0.000) 6.072 12.160 ( 0.000 0.463 0.000) 0.463 12.188 ( 0.000 -0.663 0.000) 0.663 12.344 ( 0.000 0.591 0.000) 0.591 12.369 ( 0.000 -0.279 0.000) 0.279 12.640 ( 0.000 0.399 0.000) 0.399 12.693 ( 0.000 -1.548 0.000) 1.548 13.254 ( 0.000 9.979 0.000) 9.979 13.318 ( 0.000 -0.084 0.000) 0.084 13.377 ( 0.000 -1.412 0.000) 1.412 13.471 ( 0.000 6.241 0.000) 6.241 13.737 ( 0.000 -8.122 0.000) 8.122 13.792 ( 0.000 -7.629 0.000) 7.629 13.922 ( 0.000 3.554 0.000) 3.554 13.985 ( 0.000 0.860 0.000) 0.860 13.995 ( 0.000 0.914 0.000) 0.914 14.022 ( 0.000 -0.342 0.000) 0.342 14.214 ( 0.000 6.065 0.000) 6.065 14.263 ( 0.000 1.016 0.000) 1.016 14.308 ( 0.000 -1.741 0.000) 1.741 14.351 ( 0.000 1.986 0.000) 1.986 14.375 ( 0.000 0.892 0.000) 0.892 14.422 ( 0.000 -1.878 0.000) 1.878 14.672 ( 0.000 2.181 0.000) 2.181 14.749 ( 0.000 -0.093 0.000) 0.093 14.773 ( 0.000 -0.813 0.000) 0.813 15.168 ( 0.000 -15.607 0.000) 15.607 15.576 ( 0.000 4.428 0.000) 4.428 15.742 ( 0.000 -0.103 0.000) 0.103 15.997 ( 0.000 1.580 0.000) 1.580 16.097 ( 0.000 -3.383 0.000) 3.383 16.457 ( 0.000 11.643 0.000) 11.643 16.682 ( 0.000 2.152 0.000) 2.152 16.864 ( 0.000 -5.258 0.000) 5.258 16.969 ( 0.000 -9.389 0.000) 9.389 17.209 ( 0.000 1.123 0.000) 1.123 17.261 ( 0.000 -0.477 0.000) 0.477 17.450 ( 0.000 6.133 0.000) 6.133 17.696 ( 0.000 -4.006 0.000) 4.006 18.039 ( 0.000 16.994 0.000) 16.994 18.449 ( 0.000 3.368 0.000) 3.368 18.549 ( 0.000 -0.750 0.000) 0.750 19.262 ( 0.000 -26.396 0.000) 26.396 19.370 ( 0.000 1.254 0.000) 1.254 19.456 ( 0.000 -5.783 0.000) 5.783 19.613 ( 0.000 4.246 0.000) 4.246 19.936 ( 0.000 -7.455 0.000) 7.455 21.338 ( 0.000 7.362 0.000) 7.362 21.749 ( 0.000 -9.767 0.000) 9.767 21.908 ( 0.000 4.623 0.000) 4.623 21.990 ( 0.000 -0.626 0.000) 0.626 22.109 ( 0.000 0.662 0.000) 0.662 22.120 ( 0.000 0.133 0.000) 0.133 22.123 ( 0.000 6.440 0.000) 6.440 22.247 ( 0.000 -0.283 0.000) 0.283 22.507 ( 0.000 12.577 0.000) 12.577 22.996 ( 0.000 2.741 0.000) 2.741 23.108 ( 0.000 -9.292 0.000) 9.292 23.120 ( 0.000 -1.871 0.000) 1.871 23.742 ( 0.000 0.856 0.000) 0.856 23.838 ( 0.000 -2.917 0.000) 2.917 ======================= Grid point 4 (4/36) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 21.676 17.502 0.000) 27.859 1.033 ( 27.699 15.914 0.000) 31.945 1.415 ( 17.395 29.780 0.000) 34.488 1.467 ( -23.147 10.803 0.000) 25.544 1.694 ( -19.779 8.404 0.000) 21.491 1.727 ( -3.986 -3.668 0.000) 5.417 1.990 ( 12.168 -17.169 0.000) 21.043 2.245 ( 1.741 -3.977 0.000) 4.341 2.294 ( -11.846 -9.211 0.000) 15.006 2.482 ( -17.455 -3.470 0.000) 17.796 2.538 ( 14.924 -2.199 0.000) 15.085 2.699 ( 2.229 -7.567 0.000) 7.888 2.789 ( 4.424 5.765 0.000) 7.267 2.844 ( 2.659 3.789 0.000) 4.629 2.940 ( 1.076 3.549 0.000) 3.708 3.021 ( -0.362 3.437 0.000) 3.456 3.035 ( -4.804 -1.628 0.000) 5.073 3.062 ( -1.106 -3.845 0.000) 4.001 3.144 ( 1.813 -3.746 0.000) 4.162 3.208 ( -1.977 -0.296 0.000) 1.999 3.340 ( 1.992 -2.212 0.000) 2.977 3.385 ( -1.952 -9.156 0.000) 9.361 3.458 ( 2.523 -7.904 0.000) 8.297 3.471 ( 2.193 -11.214 0.000) 11.426 3.540 ( -1.098 -20.294 0.000) 20.323 3.591 ( -4.345 -9.587 0.000) 10.526 3.801 ( 0.499 2.210 0.000) 2.265 3.809 ( 0.262 2.622 0.000) 2.635 3.955 ( 0.390 -0.827 0.000) 0.915 3.982 ( 1.304 1.457 0.000) 1.956 4.017 ( -1.085 -0.704 0.000) 1.293 4.043 ( -8.157 -4.091 0.000) 9.125 4.300 ( 0.973 -0.108 0.000) 0.979 4.348 ( -1.872 -2.434 0.000) 3.071 4.385 ( 3.521 8.594 0.000) 9.287 4.472 ( -3.297 6.137 0.000) 6.967 4.541 ( 8.197 -1.648 0.000) 8.361 4.644 ( 5.464 -3.839 0.000) 6.678 4.659 ( 1.699 -0.637 0.000) 1.814 4.793 ( -4.625 -4.519 0.000) 6.466 4.879 ( -2.548 2.166 0.000) 3.344 4.942 ( -4.611 0.254 0.000) 4.618 5.151 ( 8.689 -1.701 0.000) 8.854 5.203 ( 0.086 0.084 0.000) 0.120 5.206 ( -0.766 2.663 0.000) 2.771 5.237 ( -1.289 0.780 0.000) 1.506 5.260 ( -3.477 3.701 0.000) 5.078 5.338 ( -5.862 -1.144 0.000) 5.973 5.383 ( 8.843 2.063 0.000) 9.081 5.439 ( 3.621 1.221 0.000) 3.821 5.500 ( -0.567 6.042 0.000) 6.068 5.514 ( 5.770 1.515 0.000) 5.966 5.647 ( -12.626 1.336 0.000) 12.697 5.692 ( -6.878 0.188 0.000) 6.881 5.919 ( 9.374 6.626 0.000) 11.479 5.972 ( 3.770 2.420 0.000) 4.480 6.101 ( 0.452 1.339 0.000) 1.413 6.133 ( -2.408 2.189 0.000) 3.254 6.211 ( 3.380 0.945 0.000) 3.510 6.281 ( -2.452 0.069 0.000) 2.453 6.360 ( -0.921 1.165 0.000) 1.485 6.362 ( -0.682 -0.235 0.000) 0.721 6.389 ( 3.807 3.945 0.000) 5.483 6.438 ( 1.746 -3.190 0.000) 3.637 6.480 ( 2.036 -2.149 0.000) 2.960 6.528 ( -5.407 -0.870 0.000) 5.477 6.565 ( -3.287 -1.641 0.000) 3.674 6.588 ( -1.929 1.996 0.000) 2.776 6.665 ( 7.979 1.907 0.000) 8.203 6.830 ( -2.306 6.432 0.000) 6.833 6.863 ( 3.203 -1.590 0.000) 3.576 6.936 ( 1.303 -0.429 0.000) 1.371 6.946 ( 0.834 -0.426 0.000) 0.936 7.006 ( -6.459 3.253 0.000) 7.232 7.105 ( 2.004 -0.831 0.000) 2.169 7.136 ( 0.409 0.189 0.000) 0.451 7.196 ( -0.227 0.560 0.000) 0.604 7.231 ( -3.252 -1.763 0.000) 3.699 7.436 ( -0.015 1.407 0.000) 1.407 7.535 ( -5.925 0.275 0.000) 5.931 7.544 ( 1.915 2.638 0.000) 3.259 7.545 ( -1.731 -2.474 0.000) 3.020 7.840 ( -0.608 3.190 0.000) 3.247 7.880 ( -4.815 5.316 0.000) 7.172 8.048 ( 4.326 -4.578 0.000) 6.299 8.058 ( 2.276 -0.638 0.000) 2.364 8.115 ( -1.237 -1.625 0.000) 2.043 8.116 ( -0.462 2.275 0.000) 2.321 8.237 ( 4.389 3.577 0.000) 5.662 8.289 ( -0.610 -0.217 0.000) 0.648 8.397 ( 1.412 1.403 0.000) 1.990 8.409 ( 0.276 0.576 0.000) 0.639 8.604 ( 3.345 0.611 0.000) 3.401 8.672 ( -1.326 -1.352 0.000) 1.894 8.674 ( 2.970 -1.974 0.000) 3.566 8.702 ( -0.809 -2.259 0.000) 2.400 9.043 ( 2.744 -0.748 0.000) 2.844 9.092 ( -1.575 -1.785 0.000) 2.380 9.406 ( 0.604 -2.064 0.000) 2.151 9.447 ( -1.882 -2.916 0.000) 3.471 9.523 ( -0.545 1.466 0.000) 1.563 9.555 ( -3.305 0.833 0.000) 3.409 9.694 ( 2.927 2.299 0.000) 3.722 9.738 ( -0.202 0.846 0.000) 0.869 9.859 ( -1.631 0.673 0.000) 1.765 9.882 ( -4.363 0.820 0.000) 4.439 10.531 ( -0.803 -1.454 0.000) 1.661 10.534 ( -1.316 -1.636 0.000) 2.100 10.651 ( 3.442 3.345 0.000) 4.799 10.704 ( -0.159 1.748 0.000) 1.755 10.875 ( 0.945 -0.587 0.000) 1.113 10.897 ( 0.141 -2.473 0.000) 2.477 11.084 ( 1.615 0.244 0.000) 1.634 11.134 ( -2.261 -1.646 0.000) 2.796 11.527 ( 2.158 1.188 0.000) 2.463 11.580 ( -1.919 -0.637 0.000) 2.022 11.650 ( 2.449 0.044 0.000) 2.449 11.651 ( 5.309 0.018 0.000) 5.309 11.713 ( 0.046 1.613 0.000) 1.614 11.837 ( -6.923 -2.852 0.000) 7.487 12.164 ( 0.410 0.191 0.000) 0.453 12.178 ( -0.712 -0.353 0.000) 0.795 12.353 ( 0.658 -0.776 0.000) 1.018 12.366 ( -0.346 -0.892 0.000) 0.956 12.665 ( 1.781 0.823 0.000) 1.962 12.699 ( -0.825 0.124 0.000) 0.834 13.256 ( 1.327 4.085 0.000) 4.295 13.312 ( -2.496 -1.076 0.000) 2.718 13.435 ( 3.379 1.368 0.000) 3.645 13.484 ( -0.520 2.304 0.000) 2.362 13.723 ( 0.400 -4.652 0.000) 4.669 13.761 ( -2.269 -4.961 0.000) 5.455 13.936 ( 1.330 1.341 0.000) 1.889 13.974 ( -1.725 0.469 0.000) 1.788 14.005 ( 0.552 0.786 0.000) 0.960 14.010 ( 0.179 0.294 0.000) 0.344 14.229 ( 0.827 4.051 0.000) 4.135 14.241 ( -0.505 2.126 0.000) 2.185 14.313 ( 0.705 -2.156 0.000) 2.268 14.359 ( -3.350 -2.761 0.000) 4.341 14.409 ( 3.049 1.971 0.000) 3.631 14.497 ( -1.021 0.572 0.000) 1.171 14.535 ( 3.172 -2.637 0.000) 4.125 14.676 ( -5.540 -2.372 0.000) 6.026 14.962 ( 9.120 -2.002 0.000) 9.337 15.128 ( -4.508 -10.083 0.000) 11.045 15.697 ( 4.971 -5.119 0.000) 7.135 15.763 ( 0.464 -5.363 0.000) 5.383 15.978 ( 0.285 3.136 0.000) 3.149 16.079 ( -6.308 -2.066 0.000) 6.638 16.715 ( 5.412 0.497 0.000) 5.435 16.813 ( -3.196 -3.415 0.000) 4.677 17.034 ( 3.202 -3.570 0.000) 4.796 17.062 ( 5.060 -9.215 0.000) 10.513 17.300 ( 3.970 -4.262 0.000) 5.825 17.323 ( 8.222 -11.013 0.000) 13.743 17.573 ( 9.023 5.968 0.000) 10.818 17.743 ( -0.824 3.327 0.000) 3.428 18.091 ( 15.130 -6.594 0.000) 16.505 18.394 ( -6.003 -1.681 0.000) 6.234 18.656 ( 8.701 -0.222 0.000) 8.704 18.963 ( -17.170 -12.366 0.000) 21.160 19.295 ( -1.207 -2.576 0.000) 2.845 19.358 ( -4.900 -11.126 0.000) 12.157 19.942 ( 15.663 -1.360 0.000) 15.721 20.102 ( 4.210 -9.494 0.000) 10.385 21.315 ( 1.997 3.254 0.000) 3.818 21.517 ( -13.333 -5.078 0.000) 14.267 22.014 ( 1.674 0.018 0.000) 1.674 22.028 ( 5.025 -0.023 0.000) 5.025 22.061 ( -2.325 1.646 0.000) 2.849 22.098 ( -1.550 0.746 0.000) 1.720 22.098 ( -1.262 1.101 0.000) 1.675 22.142 ( -5.474 -0.906 0.000) 5.549 22.621 ( 7.669 17.554 0.000) 19.156 22.825 ( -11.489 14.820 0.000) 18.752 23.046 ( 3.775 2.958 0.000) 4.796 23.129 ( -2.777 2.321 0.000) 3.619 23.764 ( 1.837 -0.213 0.000) 1.849 23.812 ( -1.997 -2.066 0.000) 2.873 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 -5.898 0.000) 5.898 1.223 ( 0.000 5.898 0.000) 5.898 1.263 ( 0.000 -5.264 0.000) 5.264 1.263 ( 0.000 5.264 0.000) 5.264 2.079 ( 0.000 -11.960 0.000) 11.960 2.079 ( 0.000 11.960 0.000) 11.960 2.133 ( 0.000 -29.759 0.000) 29.759 2.133 ( 0.000 29.759 0.000) 29.759 2.239 ( 0.000 -18.580 0.000) 18.580 2.239 ( 0.000 18.580 0.000) 18.580 2.438 ( 0.000 -13.123 0.000) 13.123 2.438 ( 0.000 13.123 0.000) 13.123 2.865 ( 0.000 -5.992 0.000) 5.992 2.865 ( 0.000 5.992 0.000) 5.992 2.980 ( 0.000 -1.444 0.000) 1.444 2.980 ( 0.000 1.444 0.000) 1.444 3.028 ( 0.000 -0.787 0.000) 0.787 3.028 ( 0.000 0.787 0.000) 0.787 3.099 ( 0.000 -4.557 0.000) 4.557 3.099 ( 0.000 4.557 0.000) 4.557 3.271 ( 0.000 -0.971 0.000) 0.971 3.271 ( 0.000 0.971 0.000) 0.971 3.310 ( 0.000 -1.734 0.000) 1.734 3.310 ( 0.000 1.734 0.000) 1.734 3.502 ( 0.000 -6.499 0.000) 6.499 3.502 ( 0.000 6.499 0.000) 6.499 3.810 ( 0.000 -0.795 0.000) 0.795 3.810 ( 0.000 0.795 0.000) 0.795 3.996 ( 0.000 -1.892 0.000) 1.892 3.996 ( 0.000 1.892 0.000) 1.892 4.181 ( 0.000 -2.506 0.000) 2.506 4.181 ( 0.000 2.506 0.000) 2.506 4.280 ( 0.000 -4.308 0.000) 4.308 4.280 ( 0.000 4.308 0.000) 4.308 4.318 ( 0.000 -0.850 0.000) 0.850 4.318 ( 0.000 0.850 0.000) 0.850 4.570 ( 0.000 -7.241 0.000) 7.241 4.570 ( 0.000 7.241 0.000) 7.241 4.731 ( 0.000 -6.407 0.000) 6.407 4.731 ( 0.000 6.407 0.000) 6.407 4.990 ( 0.000 -1.013 0.000) 1.013 4.990 ( 0.000 1.013 0.000) 1.013 5.067 ( 0.000 -4.530 0.000) 4.530 5.067 ( 0.000 4.530 0.000) 4.530 5.273 ( 0.000 -1.129 0.000) 1.129 5.273 ( 0.000 1.129 0.000) 1.129 5.284 ( 0.000 -2.571 0.000) 2.571 5.284 ( 0.000 2.571 0.000) 2.571 5.406 ( 0.000 -1.311 0.000) 1.311 5.406 ( 0.000 1.311 0.000) 1.311 5.629 ( 0.000 -7.373 0.000) 7.373 5.629 ( 0.000 7.373 0.000) 7.373 5.843 ( 0.000 -4.958 0.000) 4.958 5.843 ( 0.000 4.958 0.000) 4.958 5.917 ( 0.000 -9.535 0.000) 9.535 5.917 ( 0.000 9.535 0.000) 9.535 6.072 ( 0.000 -0.654 0.000) 0.654 6.072 ( 0.000 0.654 0.000) 0.654 6.265 ( 0.000 -5.543 0.000) 5.543 6.265 ( 0.000 5.543 0.000) 5.543 6.382 ( 0.000 -0.716 0.000) 0.716 6.382 ( 0.000 0.716 0.000) 0.716 6.388 ( 0.000 -0.554 0.000) 0.554 6.388 ( 0.000 0.554 0.000) 0.554 6.521 ( 0.000 -3.045 0.000) 3.045 6.521 ( 0.000 3.045 0.000) 3.045 6.570 ( 0.000 -0.840 0.000) 0.840 6.570 ( 0.000 0.840 0.000) 0.840 6.643 ( 0.000 -4.596 0.000) 4.596 6.643 ( 0.000 4.596 0.000) 4.596 6.865 ( 0.000 -2.397 0.000) 2.397 6.865 ( 0.000 2.397 0.000) 2.397 7.055 ( 0.000 -0.875 0.000) 0.875 7.055 ( 0.000 0.875 0.000) 0.875 7.159 ( 0.000 -2.736 0.000) 2.736 7.159 ( 0.000 2.736 0.000) 2.736 7.224 ( 0.000 -2.604 0.000) 2.604 7.224 ( 0.000 2.604 0.000) 2.604 7.533 ( 0.000 -0.731 0.000) 0.731 7.533 ( 0.000 0.731 0.000) 0.731 7.602 ( 0.000 -7.368 0.000) 7.368 7.602 ( 0.000 7.368 0.000) 7.368 7.847 ( 0.000 -0.060 0.000) 0.060 7.847 ( 0.000 0.060 0.000) 0.060 8.029 ( 0.000 -0.245 0.000) 0.245 8.029 ( 0.000 0.245 0.000) 0.245 8.112 ( 0.000 -2.318 0.000) 2.318 8.112 ( 0.000 2.318 0.000) 2.318 8.226 ( 0.000 -3.594 0.000) 3.594 8.226 ( 0.000 3.594 0.000) 3.594 8.355 ( 0.000 -1.232 0.000) 1.232 8.355 ( 0.000 1.232 0.000) 1.232 8.631 ( 0.000 -2.207 0.000) 2.207 8.631 ( 0.000 2.207 0.000) 2.207 8.649 ( 0.000 -3.643 0.000) 3.643 8.649 ( 0.000 3.643 0.000) 3.643 9.056 ( 0.000 -2.965 0.000) 2.965 9.056 ( 0.000 2.965 0.000) 2.965 9.435 ( 0.000 -1.761 0.000) 1.761 9.435 ( 0.000 1.761 0.000) 1.761 9.585 ( 0.000 -2.552 0.000) 2.552 9.585 ( 0.000 2.552 0.000) 2.552 9.693 ( 0.000 -2.196 0.000) 2.196 9.693 ( 0.000 2.196 0.000) 2.196 9.964 ( 0.000 -3.731 0.000) 3.731 9.964 ( 0.000 3.731 0.000) 3.731 10.585 ( 0.000 -0.855 0.000) 0.855 10.585 ( 0.000 0.855 0.000) 0.855 10.607 ( 0.000 -3.232 0.000) 3.232 10.607 ( 0.000 3.232 0.000) 3.232 10.862 ( 0.000 -0.874 0.000) 0.874 10.862 ( 0.000 0.874 0.000) 0.874 11.121 ( 0.000 -2.399 0.000) 2.399 11.121 ( 0.000 2.399 0.000) 2.399 11.547 ( 0.000 -2.551 0.000) 2.551 11.547 ( 0.000 2.551 0.000) 2.551 11.612 ( 0.000 -0.896 0.000) 0.896 11.612 ( 0.000 0.896 0.000) 0.896 11.792 ( 0.000 -5.321 0.000) 5.321 11.792 ( 0.000 5.321 0.000) 5.321 12.173 ( 0.000 -0.687 0.000) 0.687 12.173 ( 0.000 0.687 0.000) 0.687 12.359 ( 0.000 -0.648 0.000) 0.648 12.359 ( 0.000 0.648 0.000) 0.648 12.658 ( 0.000 -1.333 0.000) 1.333 12.658 ( 0.000 1.333 0.000) 1.333 13.341 ( 0.000 -1.692 0.000) 1.692 13.341 ( 0.000 1.692 0.000) 1.692 13.507 ( 0.000 -12.236 0.000) 12.236 13.507 ( 0.000 12.236 0.000) 12.236 13.624 ( 0.000 -7.677 0.000) 7.677 13.624 ( 0.000 7.677 0.000) 7.677 13.997 ( 0.000 -2.515 0.000) 2.515 13.997 ( 0.000 2.515 0.000) 2.515 14.000 ( 0.000 -0.352 0.000) 0.352 14.000 ( 0.000 0.352 0.000) 0.352 14.279 ( 0.000 -0.794 0.000) 0.794 14.279 ( 0.000 0.794 0.000) 0.794 14.334 ( 0.000 -3.967 0.000) 3.967 14.334 ( 0.000 3.967 0.000) 3.967 14.392 ( 0.000 -0.815 0.000) 0.815 14.392 ( 0.000 0.815 0.000) 0.815 14.754 ( 0.000 -0.654 0.000) 0.654 14.754 ( 0.000 0.654 0.000) 0.654 14.834 ( 0.000 -13.040 0.000) 13.040 14.834 ( 0.000 13.040 0.000) 13.040 15.684 ( 0.000 -4.700 0.000) 4.700 15.684 ( 0.000 4.700 0.000) 4.700 16.039 ( 0.000 -2.256 0.000) 2.256 16.039 ( 0.000 2.256 0.000) 2.256 16.727 ( 0.000 -12.495 0.000) 12.495 16.727 ( 0.000 12.495 0.000) 12.495 16.753 ( 0.000 -4.428 0.000) 4.428 16.753 ( 0.000 4.428 0.000) 4.428 17.238 ( 0.000 -1.420 0.000) 1.420 17.238 ( 0.000 1.420 0.000) 1.420 17.586 ( 0.000 -5.988 0.000) 5.988 17.586 ( 0.000 5.988 0.000) 5.988 18.517 ( 0.000 -2.433 0.000) 2.433 18.517 ( 0.000 2.433 0.000) 2.433 18.569 ( 0.000 -31.068 0.000) 31.068 18.569 ( 0.000 31.068 0.000) 31.068 19.403 ( 0.000 -1.746 0.000) 1.746 19.403 ( 0.000 1.746 0.000) 1.746 19.753 ( 0.000 -8.305 0.000) 8.305 19.753 ( 0.000 8.305 0.000) 8.305 21.533 ( 0.000 -9.977 0.000) 9.977 21.533 ( 0.000 9.977 0.000) 9.977 21.969 ( 0.000 -1.495 0.000) 1.495 21.969 ( 0.000 1.495 0.000) 1.495 22.120 ( 0.000 -0.225 0.000) 0.225 22.120 ( 0.000 0.225 0.000) 0.225 22.220 ( 0.000 -2.576 0.000) 2.576 22.220 ( 0.000 2.576 0.000) 2.576 22.833 ( 0.000 -15.356 0.000) 15.356 22.833 ( 0.000 15.356 0.000) 15.356 23.064 ( 0.000 -3.150 0.000) 3.150 23.064 ( 0.000 3.150 0.000) 3.150 23.776 ( 0.000 -2.334 0.000) 2.334 23.776 ( 0.000 2.334 0.000) 2.334 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 4.083 -14.841 0.000) 15.392 1.301 ( 4.083 14.841 0.000) 15.392 1.507 ( 17.509 -15.528 0.000) 23.403 1.507 ( 17.509 15.528 0.000) 23.403 1.822 ( -11.441 -1.156 0.000) 11.499 1.822 ( -11.441 1.156 0.000) 11.499 2.110 ( -1.417 -3.632 0.000) 3.898 2.110 ( -1.417 3.632 0.000) 3.898 2.214 ( -13.348 -10.787 0.000) 17.162 2.214 ( -13.348 10.787 0.000) 17.162 2.552 ( 13.358 -2.582 0.000) 13.606 2.552 ( 13.358 2.582 0.000) 13.606 2.886 ( -0.390 -5.106 0.000) 5.121 2.886 ( -0.390 5.106 0.000) 5.121 2.950 ( -1.029 -2.996 0.000) 3.168 2.950 ( -1.029 2.996 0.000) 3.168 3.020 ( -1.560 -0.283 0.000) 1.585 3.020 ( -1.560 0.283 0.000) 1.585 3.174 ( 4.606 -1.533 0.000) 4.855 3.174 ( 4.606 1.533 0.000) 4.855 3.210 ( -2.607 -0.001 0.000) 2.607 3.210 ( -2.607 0.001 0.000) 2.607 3.360 ( 2.465 -0.464 0.000) 2.508 3.360 ( 2.465 0.464 0.000) 2.508 3.445 ( -3.689 -4.879 0.000) 6.116 3.445 ( -3.689 4.879 0.000) 6.116 3.829 ( 0.756 -0.101 0.000) 0.763 3.829 ( 0.756 0.101 0.000) 0.763 3.974 ( -5.906 -1.970 0.000) 6.226 3.974 ( -5.906 1.970 0.000) 6.226 4.005 ( -0.619 -0.804 0.000) 1.014 4.005 ( -0.619 0.804 0.000) 1.014 4.310 ( 0.174 -0.593 0.000) 0.618 4.310 ( 0.174 0.593 0.000) 0.618 4.507 ( 7.482 -1.390 0.000) 7.611 4.507 ( 7.482 1.390 0.000) 7.611 4.589 ( 1.201 -3.567 0.000) 3.764 4.589 ( 1.201 3.567 0.000) 3.764 4.682 ( -2.336 -4.012 0.000) 4.643 4.682 ( -2.336 4.012 0.000) 4.643 4.924 ( -3.720 -1.303 0.000) 3.941 4.924 ( -3.720 1.303 0.000) 3.941 5.158 ( 4.673 -2.180 0.000) 5.157 5.158 ( 4.673 2.180 0.000) 5.157 5.230 ( -0.543 -0.423 0.000) 0.688 5.230 ( -0.543 0.423 0.000) 0.688 5.307 ( -3.935 -0.297 0.000) 3.946 5.307 ( -3.935 0.297 0.000) 3.946 5.439 ( 5.762 -0.580 0.000) 5.791 5.439 ( 5.762 0.580 0.000) 5.791 5.589 ( -1.724 -2.857 0.000) 3.337 5.589 ( -1.724 2.857 0.000) 3.337 5.651 ( -7.956 -0.311 0.000) 7.962 5.651 ( -7.956 0.311 0.000) 7.962 6.020 ( 4.824 -0.001 0.000) 4.824 6.020 ( 4.824 0.001 0.000) 4.824 6.121 ( 0.692 -0.274 0.000) 0.744 6.121 ( 0.692 0.274 0.000) 0.744 6.283 ( 1.645 -4.565 0.000) 4.852 6.283 ( 1.645 4.565 0.000) 4.852 6.333 ( -2.674 -2.738 0.000) 3.827 6.333 ( -2.674 2.738 0.000) 3.827 6.430 ( 0.954 -0.513 0.000) 1.083 6.430 ( 0.954 0.513 0.000) 1.083 6.466 ( -4.150 -1.296 0.000) 4.348 6.466 ( -4.150 1.296 0.000) 4.348 6.599 ( 2.211 -0.412 0.000) 2.249 6.599 ( 2.211 0.412 0.000) 2.249 6.759 ( 8.935 -4.977 0.000) 10.228 6.759 ( 8.935 4.977 0.000) 10.228 6.921 ( 2.378 -0.970 0.000) 2.568 6.921 ( 2.378 0.970 0.000) 2.568 6.999 ( -6.752 -3.533 0.000) 7.620 6.999 ( -6.752 3.533 0.000) 7.620 7.115 ( -0.387 -0.614 0.000) 0.726 7.115 ( -0.387 0.614 0.000) 0.726 7.208 ( -1.333 -0.079 0.000) 1.336 7.208 ( -1.333 0.079 0.000) 1.336 7.481 ( -1.616 -0.775 0.000) 1.792 7.481 ( -1.616 0.775 0.000) 1.792 7.558 ( -1.988 -0.077 0.000) 1.990 7.558 ( -1.988 0.077 0.000) 1.990 7.937 ( 2.185 -3.063 0.000) 3.763 7.937 ( 2.185 3.063 0.000) 3.763 7.990 ( -1.314 -3.024 0.000) 3.297 7.990 ( -1.314 3.024 0.000) 3.297 8.129 ( 1.851 -0.207 0.000) 1.863 8.129 ( 1.851 0.207 0.000) 1.863 8.289 ( 2.263 -0.174 0.000) 2.270 8.289 ( 2.263 0.174 0.000) 2.270 8.410 ( 3.336 -0.006 0.000) 3.336 8.410 ( 3.336 0.006 0.000) 3.336 8.639 ( 0.814 -1.948 0.000) 2.111 8.639 ( 0.814 1.948 0.000) 2.111 8.654 ( -0.055 -0.463 0.000) 0.466 8.654 ( -0.055 0.463 0.000) 0.466 9.053 ( -0.183 -1.227 0.000) 1.240 9.053 ( -0.183 1.227 0.000) 1.240 9.393 ( -2.045 -0.460 0.000) 2.096 9.393 ( -2.045 0.460 0.000) 2.096 9.555 ( -1.744 -0.220 0.000) 1.758 9.555 ( -1.744 0.220 0.000) 1.758 9.734 ( 2.501 -0.911 0.000) 2.662 9.734 ( 2.501 0.911 0.000) 2.662 9.880 ( -4.640 -0.658 0.000) 4.686 9.880 ( -4.640 0.658 0.000) 4.686 10.515 ( -1.881 -0.001 0.000) 1.881 10.515 ( -1.881 0.001 0.000) 1.881 10.708 ( 3.765 -0.311 0.000) 3.778 10.708 ( 3.765 0.311 0.000) 3.778 10.867 ( -0.036 -0.040 0.000) 0.054 10.867 ( -0.036 0.040 0.000) 0.054 11.101 ( -1.082 -1.140 0.000) 1.572 11.101 ( -1.082 1.140 0.000) 1.572 11.557 ( 0.470 -1.354 0.000) 1.433 11.557 ( 0.470 1.354 0.000) 1.433 11.651 ( 2.580 -0.001 0.000) 2.580 11.651 ( 2.580 0.001 0.000) 2.580 11.767 ( -1.819 -2.339 0.000) 2.963 11.767 ( -1.819 2.339 0.000) 2.963 12.170 ( -0.148 -0.268 0.000) 0.306 12.170 ( -0.148 0.268 0.000) 0.306 12.348 ( -0.574 -0.181 0.000) 0.602 12.348 ( -0.574 0.181 0.000) 0.602 12.687 ( 1.462 -0.679 0.000) 1.612 12.687 ( 1.462 0.679 0.000) 1.612 13.290 ( -2.243 -0.016 0.000) 2.243 13.290 ( -2.243 0.016 0.000) 2.243 13.547 ( 1.695 -5.502 0.000) 5.757 13.547 ( 1.695 5.502 0.000) 5.757 13.625 ( 0.083 -4.736 0.000) 4.737 13.625 ( 0.083 4.736 0.000) 4.737 13.980 ( -0.829 -1.041 0.000) 1.331 13.980 ( -0.829 1.041 0.000) 1.331 14.013 ( 0.683 -0.000 0.000) 0.683 14.013 ( 0.683 0.000 0.000) 0.683 14.275 ( 0.179 -0.611 0.000) 0.636 14.275 ( 0.179 0.611 0.000) 0.636 14.304 ( -2.253 -2.232 0.000) 3.172 14.304 ( -2.253 2.232 0.000) 3.172 14.450 ( 5.038 -1.337 0.000) 5.213 14.450 ( 5.038 1.337 0.000) 5.213 14.592 ( -7.134 -3.721 0.000) 8.046 14.592 ( -7.134 3.721 0.000) 8.046 14.961 ( 3.754 -2.696 0.000) 4.622 14.961 ( 3.754 2.696 0.000) 4.622 15.663 ( -0.818 -1.583 0.000) 1.781 15.663 ( -0.818 1.583 0.000) 1.781 16.036 ( -0.506 -1.179 0.000) 1.283 16.036 ( -0.506 1.179 0.000) 1.283 16.745 ( 1.259 -0.977 0.000) 1.594 16.745 ( 1.259 0.977 0.000) 1.594 16.957 ( 8.272 -0.459 0.000) 8.285 16.957 ( 8.272 0.459 0.000) 8.285 17.257 ( 1.829 -0.085 0.000) 1.831 17.257 ( 1.829 0.085 0.000) 1.831 17.701 ( 10.009 -3.216 0.000) 10.513 17.701 ( 10.009 3.216 0.000) 10.513 18.236 ( -14.186 -11.758 0.000) 18.425 18.236 ( -14.186 11.758 0.000) 18.425 18.711 ( 3.886 -3.646 0.000) 5.329 18.711 ( 3.886 3.646 0.000) 5.329 19.275 ( -5.247 -0.003 0.000) 5.247 19.275 ( -5.247 0.003 0.000) 5.247 19.954 ( 9.244 -2.751 0.000) 9.645 19.954 ( 9.244 2.751 0.000) 9.645 21.420 ( -6.260 -4.054 0.000) 7.458 21.420 ( -6.260 4.054 0.000) 7.458 22.019 ( 3.239 -0.049 0.000) 3.239 22.019 ( 3.239 0.049 0.000) 3.239 22.102 ( -2.627 -0.593 0.000) 2.693 22.102 ( -2.627 0.593 0.000) 2.693 22.112 ( -3.756 -0.175 0.000) 3.760 22.112 ( -3.756 0.175 0.000) 3.760 22.872 ( 1.234 -3.127 0.000) 3.362 22.872 ( 1.234 3.127 0.000) 3.362 23.129 ( 3.401 -2.536 0.000) 4.242 23.129 ( 3.401 2.536 0.000) 4.242 23.773 ( -0.180 -1.095 0.000) 1.110 23.773 ( -0.180 1.095 0.000) 1.110 ======================= Grid point 15 (7/36) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 0.000 31.425) 31.425 0.761 ( 0.000 0.000 36.956) 36.956 1.243 ( 0.000 0.000 58.558) 58.558 1.688 ( 0.000 0.000 8.383) 8.383 2.099 ( 0.000 0.000 9.717) 9.717 2.165 ( 0.000 0.000 -18.807) 18.807 2.216 ( 0.000 0.000 -0.792) 0.792 2.225 ( 0.000 0.000 8.837) 8.837 2.292 ( 0.000 0.000 1.581) 1.581 2.364 ( 0.000 0.000 26.331) 26.331 2.592 ( 0.000 0.000 3.133) 3.133 2.668 ( 0.000 0.000 4.240) 4.240 2.776 ( 0.000 0.000 -4.443) 4.443 2.788 ( 0.000 0.000 3.625) 3.625 2.962 ( 0.000 0.000 -1.786) 1.786 3.149 ( 0.000 0.000 0.870) 0.870 3.164 ( 0.000 0.000 17.550) 17.550 3.217 ( 0.000 0.000 6.864) 6.864 3.224 ( 0.000 0.000 2.871) 2.871 3.268 ( 0.000 0.000 0.027) 0.027 3.292 ( 0.000 0.000 -1.305) 1.305 3.529 ( 0.000 0.000 2.555) 2.555 3.563 ( 0.000 0.000 -0.439) 0.439 3.657 ( 0.000 0.000 -2.731) 2.731 3.665 ( 0.000 0.000 0.868) 0.868 3.710 ( 0.000 0.000 1.540) 1.540 3.858 ( 0.000 0.000 -3.100) 3.100 3.895 ( 0.000 0.000 -1.461) 1.461 3.898 ( 0.000 0.000 6.590) 6.590 3.932 ( 0.000 0.000 4.599) 4.599 4.034 ( 0.000 0.000 -0.161) 0.161 4.116 ( 0.000 0.000 -4.899) 4.899 4.262 ( 0.000 0.000 -5.933) 5.933 4.341 ( 0.000 0.000 11.395) 11.395 4.403 ( 0.000 0.000 4.731) 4.731 4.557 ( 0.000 0.000 4.306) 4.306 4.560 ( 0.000 0.000 1.707) 1.707 4.573 ( 0.000 0.000 2.872) 2.872 4.647 ( 0.000 0.000 8.542) 8.542 4.747 ( 0.000 0.000 10.825) 10.825 4.821 ( 0.000 0.000 -5.963) 5.963 4.967 ( 0.000 0.000 -1.656) 1.656 5.035 ( 0.000 0.000 -0.708) 0.708 5.091 ( 0.000 0.000 2.527) 2.527 5.153 ( 0.000 0.000 -9.668) 9.668 5.189 ( 0.000 0.000 -6.450) 6.450 5.205 ( 0.000 0.000 -4.670) 4.670 5.248 ( 0.000 0.000 3.925) 3.925 5.349 ( 0.000 0.000 13.498) 13.498 5.385 ( 0.000 0.000 3.289) 3.289 5.389 ( 0.000 0.000 3.826) 3.826 5.458 ( 0.000 0.000 1.808) 1.808 5.512 ( 0.000 0.000 10.944) 10.944 5.615 ( 0.000 0.000 4.180) 4.180 5.847 ( 0.000 0.000 -0.155) 0.155 5.945 ( 0.000 0.000 -3.582) 3.582 6.060 ( 0.000 0.000 -0.656) 0.656 6.165 ( 0.000 0.000 -8.386) 8.386 6.171 ( 0.000 0.000 -0.681) 0.681 6.183 ( 0.000 0.000 -10.978) 10.978 6.221 ( 0.000 0.000 -7.285) 7.285 6.326 ( 0.000 0.000 -3.563) 3.563 6.385 ( 0.000 0.000 -0.365) 0.365 6.452 ( 0.000 0.000 -5.981) 5.981 6.486 ( 0.000 0.000 11.294) 11.294 6.529 ( 0.000 0.000 6.940) 6.940 6.663 ( 0.000 0.000 8.224) 8.224 6.674 ( 0.000 0.000 -0.060) 0.060 6.731 ( 0.000 0.000 5.122) 5.122 6.908 ( 0.000 0.000 0.551) 0.551 6.921 ( 0.000 0.000 2.663) 2.663 6.935 ( 0.000 0.000 2.976) 2.976 7.027 ( 0.000 0.000 6.988) 6.988 7.037 ( 0.000 0.000 2.832) 2.832 7.076 ( 0.000 0.000 -0.045) 0.045 7.210 ( 0.000 0.000 -3.050) 3.050 7.283 ( 0.000 0.000 1.503) 1.503 7.419 ( 0.000 0.000 14.413) 14.413 7.464 ( 0.000 0.000 2.411) 2.411 7.504 ( 0.000 0.000 7.125) 7.125 7.632 ( 0.000 0.000 7.968) 7.968 7.733 ( 0.000 0.000 -10.344) 10.344 7.894 ( 0.000 0.000 3.372) 3.372 7.900 ( 0.000 0.000 3.968) 3.968 7.961 ( 0.000 0.000 -5.108) 5.108 7.993 ( 0.000 0.000 -1.757) 1.757 8.033 ( 0.000 0.000 -1.815) 1.815 8.055 ( 0.000 0.000 -4.910) 4.910 8.263 ( 0.000 0.000 -3.435) 3.435 8.384 ( 0.000 0.000 0.616) 0.616 8.523 ( 0.000 0.000 -1.849) 1.849 8.530 ( 0.000 0.000 -1.472) 1.472 8.544 ( 0.000 0.000 -1.370) 1.370 8.601 ( 0.000 0.000 3.248) 3.248 8.727 ( 0.000 0.000 2.126) 2.126 8.740 ( 0.000 0.000 -5.809) 5.809 9.094 ( 0.000 0.000 10.617) 10.617 9.372 ( 0.000 0.000 -5.970) 5.970 9.449 ( 0.000 0.000 -11.890) 11.890 9.461 ( 0.000 0.000 3.633) 3.633 9.659 ( 0.000 0.000 0.104) 0.104 9.731 ( 0.000 0.000 -10.540) 10.540 9.781 ( 0.000 0.000 19.958) 19.958 9.783 ( 0.000 0.000 -3.675) 3.675 9.825 ( 0.000 0.000 5.161) 5.161 10.106 ( 0.000 0.000 5.611) 5.611 10.447 ( 0.000 0.000 -7.897) 7.897 10.464 ( 0.000 0.000 -11.797) 11.797 10.464 ( 0.000 0.000 -2.849) 2.849 10.650 ( 0.000 0.000 -7.802) 7.802 11.063 ( 0.000 0.000 4.003) 4.003 11.118 ( 0.000 0.000 6.993) 6.993 11.268 ( 0.000 0.000 29.022) 29.022 11.443 ( 0.000 0.000 -4.251) 4.251 11.514 ( 0.000 0.000 -3.144) 3.144 11.578 ( 0.000 0.000 -3.816) 3.816 11.614 ( 0.000 0.000 -1.891) 1.891 11.680 ( 0.000 0.000 -19.358) 19.358 11.723 ( 0.000 0.000 0.037) 0.037 12.235 ( 0.000 0.000 11.659) 11.659 12.313 ( 0.000 0.000 13.501) 13.501 12.517 ( 0.000 0.000 15.977) 15.977 12.573 ( 0.000 0.000 -4.674) 4.674 12.618 ( 0.000 0.000 -6.807) 6.807 12.775 ( 0.000 0.000 25.075) 25.075 13.138 ( 0.000 0.000 -1.035) 1.035 13.312 ( 0.000 0.000 -3.191) 3.191 13.366 ( 0.000 0.000 -2.332) 2.332 13.368 ( 0.000 0.000 -0.001) 0.001 13.646 ( 0.000 0.000 -10.226) 10.226 13.858 ( 0.000 0.000 -1.655) 1.655 13.861 ( 0.000 0.000 -7.914) 7.914 13.983 ( 0.000 0.000 5.389) 5.389 14.004 ( 0.000 0.000 2.736) 2.736 14.077 ( 0.000 0.000 4.463) 4.463 14.184 ( 0.000 0.000 3.098) 3.098 14.261 ( 0.000 0.000 4.676) 4.676 14.282 ( 0.000 0.000 -0.933) 0.933 14.371 ( 0.000 0.000 1.235) 1.235 14.416 ( 0.000 0.000 5.162) 5.162 14.451 ( 0.000 0.000 0.482) 0.482 14.660 ( 0.000 0.000 -0.195) 0.195 14.673 ( 0.000 0.000 -3.309) 3.309 14.750 ( 0.000 0.000 -0.141) 0.141 15.296 ( 0.000 0.000 -5.905) 5.905 15.547 ( 0.000 0.000 2.743) 2.743 15.627 ( 0.000 0.000 1.217) 1.217 15.824 ( 0.000 0.000 9.202) 9.202 15.923 ( 0.000 0.000 -5.551) 5.551 16.163 ( 0.000 0.000 -10.603) 10.603 16.581 ( 0.000 0.000 -7.464) 7.464 16.794 ( 0.000 0.000 -21.293) 21.293 16.981 ( 0.000 0.000 3.636) 3.636 17.171 ( 0.000 0.000 -10.011) 10.011 17.299 ( 0.000 0.000 3.338) 3.338 17.360 ( 0.000 0.000 -0.779) 0.779 17.423 ( 0.000 0.000 -22.402) 22.402 17.734 ( 0.000 0.000 -1.140) 1.140 18.178 ( 0.000 0.000 1.865) 1.865 18.244 ( 0.000 0.000 -3.773) 3.773 18.489 ( 0.000 0.000 -5.570) 5.570 18.792 ( 0.000 0.000 15.565) 15.565 19.409 ( 0.000 0.000 -21.926) 21.926 19.545 ( 0.000 0.000 10.565) 10.565 19.604 ( 0.000 0.000 3.520) 3.520 20.129 ( 0.000 0.000 4.533) 4.533 20.544 ( 0.000 0.000 6.326) 6.326 21.149 ( 0.000 0.000 -8.394) 8.394 21.867 ( 0.000 0.000 -3.528) 3.528 21.912 ( 0.000 0.000 4.991) 4.991 21.939 ( 0.000 0.000 -6.599) 6.599 22.073 ( 0.000 0.000 -2.646) 2.646 22.252 ( 0.000 0.000 0.832) 0.832 22.312 ( 0.000 0.000 12.348) 12.348 22.331 ( 0.000 0.000 -2.044) 2.044 22.433 ( 0.000 0.000 -20.157) 20.157 22.985 ( 0.000 0.000 -5.070) 5.070 23.079 ( 0.000 0.000 -6.087) 6.087 23.761 ( 0.000 0.000 0.945) 0.945 23.791 ( 0.000 0.000 -8.172) 8.172 ======================= Grid point 16 (8/36) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 19.263 0.000 16.438) 25.323 0.912 ( 20.197 0.000 20.601) 28.850 1.394 ( -20.243 0.000 11.615) 23.339 1.454 ( -29.672 0.000 -3.944) 29.933 1.694 ( 19.197 0.000 38.389) 42.921 2.039 ( -10.006 0.000 17.389) 20.062 2.278 ( 4.723 0.000 -0.258) 4.730 2.361 ( -0.344 0.000 0.341) 0.485 2.470 ( 4.181 0.000 15.306) 15.866 2.563 ( -5.282 0.000 4.792) 7.132 2.604 ( 14.392 0.000 5.054) 15.253 2.671 ( 7.739 0.000 0.494) 7.755 2.802 ( -0.046 0.000 0.470) 0.473 2.834 ( -2.433 0.000 -3.431) 4.206 2.934 ( 3.983 0.000 6.282) 7.438 3.116 ( -6.898 0.000 5.669) 8.928 3.128 ( -1.815 0.000 18.388) 18.478 3.172 ( -3.481 0.000 7.710) 8.460 3.179 ( 0.587 0.000 -1.172) 1.311 3.224 ( -2.460 0.000 -1.032) 2.668 3.371 ( 5.121 0.000 0.507) 5.146 3.486 ( -4.006 0.000 1.978) 4.468 3.625 ( 4.015 0.000 -0.076) 4.016 3.659 ( 0.634 0.000 -2.044) 2.140 3.691 ( -1.570 0.000 -0.565) 1.669 3.694 ( -1.156 0.000 -0.116) 1.162 3.848 ( 0.259 0.000 1.121) 1.151 3.878 ( -1.652 0.000 5.277) 5.530 3.902 ( 1.961 0.000 -2.794) 3.413 3.962 ( -1.635 0.000 -3.888) 4.217 4.031 ( 4.329 0.000 3.828) 5.779 4.147 ( -4.478 0.000 2.019) 4.913 4.277 ( 2.703 0.000 -2.706) 3.825 4.351 ( 1.648 0.000 9.278) 9.423 4.426 ( -7.610 0.000 1.230) 7.709 4.432 ( -5.136 0.000 5.558) 7.568 4.585 ( 10.771 0.000 -8.348) 13.627 4.670 ( 3.930 0.000 4.219) 5.766 4.725 ( -0.101 0.000 -5.695) 5.696 4.733 ( -1.598 0.000 7.927) 8.087 4.780 ( 2.292 0.000 -0.389) 2.325 4.900 ( -5.252 0.000 -0.245) 5.258 5.013 ( 0.435 0.000 -1.020) 1.109 5.075 ( -4.342 0.000 -5.310) 6.859 5.187 ( 0.378 0.000 -5.569) 5.582 5.195 ( 6.047 0.000 2.292) 6.466 5.205 ( -0.732 0.000 -4.369) 4.429 5.265 ( 0.739 0.000 0.930) 1.187 5.424 ( 2.996 0.000 6.144) 6.836 5.452 ( 3.156 0.000 2.017) 3.746 5.468 ( 1.977 0.000 2.904) 3.513 5.472 ( -2.058 0.000 8.268) 8.520 5.495 ( 4.582 0.000 0.548) 4.614 5.593 ( -2.572 0.000 1.479) 2.967 5.871 ( 3.489 0.000 1.075) 3.651 5.990 ( 3.434 0.000 -9.186) 9.806 5.993 ( -5.376 0.000 0.796) 5.434 6.086 ( -4.833 0.000 -12.503) 13.405 6.225 ( 3.205 0.000 -10.660) 11.132 6.261 ( 6.169 0.000 -0.746) 6.214 6.309 ( -3.953 0.000 -8.335) 9.225 6.313 ( 6.111 0.000 -0.738) 6.155 6.334 ( 0.292 0.000 -1.812) 1.835 6.483 ( -4.793 0.000 3.664) 6.034 6.580 ( 7.854 0.000 0.866) 7.902 6.584 ( 7.746 0.000 10.661) 13.178 6.659 ( -0.001 0.000 10.645) 10.645 6.697 ( 0.956 0.000 1.855) 2.087 6.697 ( -1.778 0.000 6.873) 7.099 6.802 ( -5.860 0.000 -1.222) 5.986 6.830 ( -4.640 0.000 1.751) 4.959 6.860 ( -13.363 0.000 6.507) 14.863 6.994 ( 2.522 0.000 2.977) 3.901 7.017 ( 0.476 0.000 1.976) 2.032 7.231 ( 3.750 0.000 2.913) 4.749 7.243 ( 8.812 0.000 6.727) 11.086 7.322 ( 1.835 0.000 1.674) 2.484 7.380 ( -3.290 0.000 13.237) 13.640 7.476 ( 0.040 0.000 6.864) 6.864 7.508 ( 2.277 0.000 -0.758) 2.400 7.586 ( -6.329 0.000 -5.177) 8.176 7.618 ( -11.643 0.000 4.090) 12.340 7.711 ( 0.878 0.000 0.736) 1.146 7.785 ( -5.992 0.000 0.828) 6.049 8.020 ( 2.973 0.000 -2.792) 4.079 8.057 ( -0.301 0.000 -3.514) 3.527 8.156 ( 9.040 0.000 2.308) 9.330 8.182 ( 4.439 0.000 -2.337) 5.017 8.235 ( -1.681 0.000 -1.311) 2.131 8.323 ( -5.270 0.000 0.956) 5.356 8.473 ( 0.055 0.000 0.348) 0.352 8.520 ( -2.605 0.000 0.800) 2.725 8.602 ( 3.360 0.000 -3.885) 5.137 8.631 ( 1.641 0.000 -2.590) 3.066 8.702 ( -1.509 0.000 -2.385) 2.822 8.713 ( -1.929 0.000 2.816) 3.414 9.179 ( 6.976 0.000 10.656) 12.736 9.369 ( -7.930 0.000 6.240) 10.091 9.397 ( 1.867 0.000 -7.367) 7.599 9.436 ( -1.236 0.000 -10.177) 10.252 9.678 ( 1.675 0.000 -2.930) 3.375 9.726 ( -1.664 0.000 -6.890) 7.088 9.771 ( 0.606 0.000 -1.877) 1.972 9.805 ( -1.570 0.000 2.757) 3.173 9.810 ( 3.553 0.000 24.842) 25.095 9.966 ( -9.419 0.000 23.021) 24.873 10.471 ( 0.702 0.000 -7.315) 7.348 10.480 ( 0.310 0.000 -5.469) 5.478 10.495 ( 3.875 0.000 -7.882) 8.783 10.596 ( -4.232 0.000 -7.869) 8.935 11.068 ( 1.404 0.000 4.536) 4.748 11.113 ( -1.335 0.000 2.913) 3.204 11.343 ( 8.227 0.000 35.983) 36.911 11.476 ( 2.783 0.000 -3.996) 4.870 11.547 ( -2.804 0.000 -3.977) 4.866 11.566 ( 2.964 0.000 -0.104) 2.966 11.613 ( -4.569 0.000 -10.995) 11.907 11.649 ( 2.779 0.000 -1.591) 3.203 11.705 ( -1.702 0.000 -0.718) 1.847 12.004 ( -37.478 0.000 45.695) 59.098 12.316 ( 0.838 0.000 15.186) 15.209 12.392 ( -11.045 0.000 26.731) 28.923 12.585 ( 0.937 0.000 -5.171) 5.255 12.607 ( -0.880 0.000 -6.249) 6.311 12.708 ( -11.030 0.000 34.738) 36.447 12.721 ( -7.693 0.000 29.284) 30.278 13.183 ( 3.710 0.000 -1.707) 4.084 13.275 ( -3.380 0.000 -2.861) 4.428 13.421 ( 3.529 0.000 -1.264) 3.749 13.525 ( -8.258 0.000 4.309) 9.315 13.654 ( 1.487 0.000 -8.565) 8.693 13.730 ( -4.921 0.000 -6.603) 8.234 13.981 ( 3.718 0.000 -0.514) 3.753 14.013 ( 0.290 0.000 2.584) 2.600 14.021 ( 1.939 0.000 5.692) 6.013 14.071 ( -2.188 0.000 6.313) 6.681 14.186 ( 0.863 0.000 1.296) 1.557 14.234 ( -2.399 0.000 1.929) 3.079 14.383 ( 1.447 0.000 1.444) 2.044 14.390 ( 1.664 0.000 3.821) 4.168 14.448 ( -3.143 0.000 4.485) 5.476 14.460 ( -5.934 0.000 -0.096) 5.935 14.628 ( 1.298 0.000 3.394) 3.634 14.705 ( -3.528 0.000 0.522) 3.566 14.962 ( 12.933 0.000 -2.937) 13.262 15.207 ( -7.840 0.000 -4.582) 9.081 15.821 ( 7.997 0.000 -1.997) 8.243 15.828 ( 1.702 0.000 3.449) 3.846 15.896 ( -2.934 0.000 -2.883) 4.113 16.031 ( -9.362 0.000 -7.218) 11.821 16.671 ( 7.991 0.000 -4.330) 9.089 16.862 ( -8.089 0.000 -0.792) 8.127 16.893 ( 7.955 0.000 -15.713) 17.612 17.087 ( -7.385 0.000 -9.747) 12.229 17.325 ( 2.586 0.000 -5.519) 6.095 17.391 ( -2.592 0.000 -16.141) 16.348 17.449 ( 9.020 0.000 -1.212) 9.101 17.661 ( -8.357 0.000 0.996) 8.416 18.286 ( 3.662 0.000 -4.071) 5.476 18.399 ( -5.764 0.000 -4.051) 7.045 18.923 ( 9.646 0.000 12.406) 15.714 19.098 ( 17.555 0.000 -26.805) 32.042 19.195 ( -14.325 0.000 9.776) 17.343 19.347 ( -6.585 0.000 -22.641) 23.580 20.006 ( 18.268 0.000 5.110) 18.970 20.370 ( -13.176 0.000 5.037) 14.106 21.169 ( 47.787 0.000 -34.542) 58.964 21.308 ( 11.641 0.000 -6.280) 13.227 21.602 ( -13.351 0.000 -3.454) 13.790 21.848 ( -13.583 0.000 -16.382) 21.281 22.060 ( 1.391 0.000 -2.315) 2.701 22.110 ( 7.830 0.000 4.545) 9.053 22.202 ( -12.432 0.000 -5.857) 13.743 22.244 ( -3.605 0.000 4.196) 5.532 22.286 ( 1.074 0.000 4.615) 4.738 22.323 ( -1.247 0.000 1.882) 2.257 22.968 ( 2.092 0.000 -5.148) 5.557 23.044 ( -3.236 0.000 -6.225) 7.016 23.777 ( 1.763 0.000 -1.007) 2.031 23.813 ( -0.539 0.000 -4.475) 4.507 ======================= Grid point 18 (9/36) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 17.119 27.670) 32.538 0.977 ( 0.000 23.805 21.717) 32.223 1.577 ( 0.000 28.726 41.402) 50.392 1.759 ( 0.000 1.227 6.539) 6.653 2.033 ( 0.000 -8.222 9.492) 12.557 2.057 ( 0.000 -17.349 12.301) 21.267 2.129 ( 0.000 0.034 5.499) 5.499 2.145 ( 0.000 -6.281 0.985) 6.357 2.281 ( 0.000 8.223 5.678) 9.993 2.378 ( 0.000 5.342 -4.026) 6.689 2.504 ( 0.000 -11.896 1.604) 12.003 2.715 ( 0.000 7.356 1.565) 7.521 2.847 ( 0.000 5.682 -3.226) 6.534 2.850 ( 0.000 -2.316 6.263) 6.678 2.930 ( 0.000 -8.414 3.001) 8.933 3.064 ( 0.000 -9.211 -1.129) 9.280 3.077 ( 0.000 -2.598 4.804) 5.461 3.126 ( 0.000 -5.204 1.157) 5.331 3.175 ( 0.000 -3.715 5.502) 6.638 3.176 ( 0.000 -8.134 -0.710) 8.165 3.313 ( 0.000 1.790 -1.653) 2.436 3.475 ( 0.000 -2.758 3.332) 4.325 3.484 ( 0.000 -7.426 6.568) 9.914 3.509 ( 0.000 -4.480 5.693) 7.244 3.640 ( 0.000 -12.918 6.802) 14.600 3.662 ( 0.000 -1.667 4.314) 4.625 3.816 ( 0.000 1.100 2.831) 3.037 3.863 ( 0.000 -1.541 4.718) 4.964 3.939 ( 0.000 3.077 -0.546) 3.125 4.016 ( 0.000 0.411 -0.563) 0.697 4.024 ( 0.000 4.326 0.003) 4.326 4.138 ( 0.000 1.682 -3.966) 4.308 4.242 ( 0.000 -0.709 -4.469) 4.525 4.248 ( 0.000 -5.596 2.969) 6.335 4.441 ( 0.000 4.892 4.020) 6.331 4.476 ( 0.000 -0.438 9.832) 9.842 4.545 ( 0.000 -4.908 10.581) 11.664 4.630 ( 0.000 5.254 3.017) 6.058 4.671 ( 0.000 2.227 -1.060) 2.466 4.821 ( 0.000 1.709 -0.364) 1.748 4.838 ( 0.000 1.238 -6.065) 6.190 4.864 ( 0.000 -4.227 0.311) 4.238 5.069 ( 0.000 0.206 4.211) 4.216 5.183 ( 0.000 0.658 -5.042) 5.085 5.197 ( 0.000 -0.029 -4.559) 4.560 5.257 ( 0.000 -3.100 4.499) 5.463 5.281 ( 0.000 4.858 3.068) 5.745 5.323 ( 0.000 7.816 -3.246) 8.463 5.365 ( 0.000 9.085 -10.509) 13.892 5.414 ( 0.000 1.954 5.297) 5.646 5.423 ( 0.000 3.302 1.680) 3.705 5.480 ( 0.000 2.434 1.611) 2.919 5.548 ( 0.000 3.250 7.717) 8.373 5.715 ( 0.000 7.150 1.980) 7.419 5.775 ( 0.000 -5.356 -0.289) 5.364 5.948 ( 0.000 -1.938 -2.066) 2.833 6.064 ( 0.000 1.519 -2.805) 3.190 6.139 ( 0.000 -0.989 -9.669) 9.720 6.198 ( 0.000 2.149 -0.638) 2.241 6.223 ( 0.000 0.956 -5.875) 5.952 6.265 ( 0.000 4.292 -11.246) 12.037 6.294 ( 0.000 -1.741 -3.286) 3.719 6.357 ( 0.000 -2.132 3.107) 3.768 6.409 ( 0.000 -1.500 -4.305) 4.559 6.509 ( 0.000 -1.426 1.275) 1.913 6.549 ( 0.000 0.740 2.171) 2.293 6.629 ( 0.000 1.185 7.895) 7.984 6.756 ( 0.000 0.547 7.496) 7.516 6.762 ( 0.000 4.012 3.397) 5.257 6.844 ( 0.000 -2.588 8.521) 8.905 6.927 ( 0.000 0.160 1.798) 1.805 6.932 ( 0.000 -0.580 2.788) 2.848 6.981 ( 0.000 1.579 1.679) 2.305 7.152 ( 0.000 4.769 6.222) 7.840 7.172 ( 0.000 6.670 4.103) 7.831 7.223 ( 0.000 -0.623 -2.904) 2.970 7.266 ( 0.000 -0.207 2.648) 2.656 7.398 ( 0.000 -1.409 11.087) 11.176 7.501 ( 0.000 2.171 4.145) 4.679 7.517 ( 0.000 0.941 6.290) 6.360 7.631 ( 0.000 0.120 7.737) 7.738 7.734 ( 0.000 0.178 -8.915) 8.917 7.797 ( 0.000 -6.541 2.837) 7.130 7.828 ( 0.000 -4.338 -0.546) 4.372 7.996 ( 0.000 0.449 -2.260) 2.304 8.010 ( 0.000 1.577 -1.114) 1.931 8.075 ( 0.000 2.706 -5.886) 6.478 8.097 ( 0.000 3.835 -0.757) 3.909 8.248 ( 0.000 -1.369 -2.402) 2.764 8.334 ( 0.000 -4.113 0.902) 4.211 8.514 ( 0.000 -0.960 1.080) 1.445 8.549 ( 0.000 1.717 0.598) 1.818 8.564 ( 0.000 1.813 -1.832) 2.578 8.579 ( 0.000 -1.272 0.312) 1.310 8.700 ( 0.000 -2.252 2.227) 3.168 8.720 ( 0.000 -1.902 -4.196) 4.607 9.076 ( 0.000 -0.658 9.329) 9.352 9.310 ( 0.000 -10.501 7.328) 12.806 9.404 ( 0.000 2.313 -7.357) 7.712 9.467 ( 0.000 -0.259 -12.177) 12.179 9.683 ( 0.000 2.047 0.186) 2.055 9.715 ( 0.000 -0.770 -2.346) 2.469 9.740 ( 0.000 -1.479 7.761) 7.900 9.785 ( 0.000 -2.352 6.020) 6.464 9.883 ( 0.000 6.446 10.899) 12.663 10.114 ( 0.000 -1.009 6.062) 6.145 10.455 ( 0.000 0.996 -4.695) 4.799 10.474 ( 0.000 0.749 -10.144) 10.171 10.503 ( 0.000 2.922 -6.078) 6.744 10.629 ( 0.000 -1.901 -7.581) 7.816 11.081 ( 0.000 1.507 3.115) 3.460 11.130 ( 0.000 0.552 3.494) 3.538 11.298 ( 0.000 4.330 39.235) 39.474 11.458 ( 0.000 1.297 -4.390) 4.577 11.517 ( 0.000 0.384 -4.104) 4.122 11.560 ( 0.000 -1.961 -4.194) 4.630 11.575 ( 0.000 -2.148 -7.542) 7.842 11.701 ( 0.000 1.160 -10.557) 10.621 11.723 ( 0.000 -0.026 -0.933) 0.934 12.207 ( 0.000 -5.691 17.007) 17.934 12.312 ( 0.000 -0.056 13.972) 13.972 12.501 ( 0.000 -4.345 22.199) 22.620 12.566 ( 0.000 -1.484 -2.809) 3.177 12.594 ( 0.000 -1.810 -3.224) 3.697 12.735 ( 0.000 -2.895 20.131) 20.338 13.167 ( 0.000 -70.090 81.055) 107.156 13.225 ( 0.000 5.412 -3.731) 6.573 13.335 ( 0.000 4.256 1.775) 4.611 13.380 ( 0.000 -12.430 11.356) 16.836 13.447 ( 0.000 5.952 -2.236) 6.358 13.686 ( 0.000 -15.206 2.009) 15.338 13.766 ( 0.000 -7.232 -2.527) 7.661 13.895 ( 0.000 2.978 -1.563) 3.363 14.021 ( 0.000 1.519 2.848) 3.227 14.027 ( 0.000 -1.753 5.304) 5.587 14.109 ( 0.000 -7.215 11.461) 13.543 14.234 ( 0.000 3.293 1.056) 3.458 14.292 ( 0.000 1.355 3.192) 3.467 14.297 ( 0.000 0.752 0.037) 0.753 14.382 ( 0.000 0.666 1.738) 1.861 14.405 ( 0.000 -0.624 3.261) 3.320 14.495 ( 0.000 -5.734 10.179) 11.683 14.660 ( 0.000 0.878 -1.125) 1.427 14.774 ( 0.000 -6.695 3.455) 7.534 14.775 ( 0.000 2.358 2.340) 3.322 15.176 ( 0.000 -14.712 1.155) 14.758 15.570 ( 0.000 2.100 -0.070) 2.101 15.683 ( 0.000 -0.642 -3.395) 3.456 15.970 ( 0.000 3.990 -2.694) 4.815 16.127 ( 0.000 -2.252 -2.871) 3.649 16.389 ( 0.000 -1.975 -3.036) 3.622 16.564 ( 0.000 -2.005 -11.715) 11.886 16.793 ( 0.000 0.115 -15.292) 15.292 16.940 ( 0.000 -7.173 6.534) 9.702 17.158 ( 0.000 -0.965 -9.822) 9.869 17.199 ( 0.000 -4.464 -0.902) 4.554 17.475 ( 0.000 6.184 1.116) 6.284 17.697 ( 0.000 -3.364 -2.007) 3.917 17.861 ( 0.000 17.658 -13.052) 21.958 18.409 ( 0.000 5.570 -1.245) 5.707 18.471 ( 0.000 -2.162 -6.512) 6.862 19.110 ( 0.000 -24.532 -14.459) 28.476 19.395 ( 0.000 4.500 1.601) 4.776 19.526 ( 0.000 -1.975 8.038) 8.277 19.731 ( 0.000 5.181 9.006) 10.390 20.023 ( 0.000 -7.821 5.878) 9.783 21.227 ( 0.000 6.577 -9.237) 11.339 21.454 ( 0.000 13.314 -25.456) 28.727 21.882 ( 0.000 8.783 -8.125) 11.965 21.988 ( 0.000 2.969 3.805) 4.826 21.999 ( 0.000 3.581 -3.260) 4.842 22.089 ( 0.000 2.273 -1.478) 2.712 22.266 ( 0.000 1.024 2.028) 2.272 22.303 ( 0.000 -0.674 10.978) 10.999 22.386 ( 0.000 5.411 -9.465) 10.903 22.541 ( 0.000 5.229 -30.862) 31.301 23.004 ( 0.000 1.111 -5.769) 5.875 23.064 ( 0.000 -1.309 -5.672) 5.821 23.743 ( 0.000 -1.202 -0.902) 1.503 23.764 ( 0.000 -1.984 -7.176) 7.445 ======================= Grid point 19 (10/36) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 13.161 14.967 13.174) 23.891 1.188 ( 13.754 20.920 14.632) 28.998 1.504 ( -25.308 1.649 -4.784) 25.809 1.559 ( -16.259 14.248 9.108) 23.459 1.838 ( 9.016 11.322 27.475) 31.054 1.939 ( -4.649 -7.270 15.335) 17.596 2.172 ( 4.216 -11.553 5.624) 13.524 2.327 ( 4.052 -9.563 6.531) 12.269 2.359 ( 0.606 -3.087 14.624) 14.958 2.531 ( -1.560 -0.613 3.245) 3.652 2.549 ( 12.898 1.181 2.175) 13.134 2.729 ( -3.406 -1.455 1.837) 4.134 2.782 ( 4.942 6.608 0.323) 8.258 2.891 ( -0.878 0.830 -0.868) 1.488 2.943 ( 1.204 -7.717 5.936) 9.810 3.012 ( -2.816 -2.446 0.935) 3.845 3.069 ( -0.243 -6.530 1.739) 6.762 3.126 ( -3.029 -5.972 3.276) 7.455 3.169 ( 1.443 1.000 3.273) 3.714 3.210 ( -0.468 -2.615 1.663) 3.134 3.336 ( 3.651 -1.623 -0.192) 4.001 3.439 ( -3.838 -4.262 1.960) 6.061 3.516 ( 2.042 -5.493 5.311) 7.909 3.532 ( 1.002 -5.599 6.817) 8.878 3.628 ( -0.220 -11.429 9.043) 14.575 3.652 ( -1.475 -4.723 8.359) 9.714 3.824 ( 0.824 2.457 2.840) 3.845 3.845 ( -0.881 1.375 3.006) 3.421 3.951 ( 0.632 1.740 -2.176) 2.857 3.978 ( -1.247 0.602 0.633) 1.523 4.002 ( 0.470 -1.247 0.656) 1.485 4.070 ( -4.808 -3.805 3.851) 7.240 4.277 ( 2.597 0.183 -2.064) 3.322 4.360 ( 1.029 -1.870 0.578) 2.211 4.448 ( -0.105 5.416 5.627) 7.810 4.508 ( 0.176 3.262 2.720) 4.251 4.560 ( 3.363 2.210 0.653) 4.077 4.638 ( 6.575 -5.255 1.466) 8.544 4.718 ( -6.034 -0.277 -6.336) 8.754 4.730 ( 2.052 0.627 4.367) 4.865 4.781 ( -4.409 -2.774 -5.399) 7.503 4.807 ( -4.006 -0.024 1.294) 4.210 5.168 ( 1.381 -0.266 -4.197) 4.426 5.190 ( 4.188 1.057 1.222) 4.489 5.206 ( 1.549 0.788 -1.696) 2.428 5.221 ( -1.426 7.470 -2.419) 7.980 5.266 ( -4.122 7.906 -1.200) 8.997 5.291 ( -0.528 2.570 2.154) 3.395 5.383 ( 5.019 -2.293 1.811) 5.807 5.476 ( -0.649 1.793 1.989) 2.755 5.492 ( 0.972 2.250 2.234) 3.316 5.511 ( 4.304 1.891 1.659) 4.985 5.527 ( 0.876 3.988 3.080) 5.115 5.647 ( -5.170 2.250 -0.167) 5.641 5.864 ( 5.213 0.026 -0.802) 5.274 5.943 ( -1.232 -2.236 -2.769) 3.766 6.047 ( 0.046 2.648 -7.615) 8.062 6.101 ( -3.440 0.854 -11.110) 11.662 6.172 ( 0.573 -0.855 -8.378) 8.441 6.230 ( -3.146 -3.639 -4.838) 6.823 6.285 ( 2.772 -1.091 -3.166) 4.348 6.343 ( -1.664 -1.611 -3.901) 4.537 6.373 ( 7.565 4.248 -1.790) 8.859 6.473 ( 2.686 -3.564 1.949) 4.870 6.507 ( 1.275 1.543 0.362) 2.034 6.607 ( 3.678 -0.463 11.346) 11.936 6.646 ( -1.851 -0.521 3.597) 4.079 6.741 ( 0.119 3.254 3.974) 5.137 6.755 ( -3.229 -1.088 9.721) 10.300 6.812 ( 2.293 4.987 2.394) 5.988 6.857 ( -3.603 2.675 -0.554) 4.522 6.938 ( -6.816 3.084 3.071) 8.087 6.999 ( 2.148 0.982 3.350) 4.099 7.033 ( -2.176 2.252 5.582) 6.400 7.176 ( 0.685 -1.984 4.651) 5.103 7.253 ( -0.553 -4.546 6.201) 7.709 7.294 ( 4.983 1.040 3.312) 6.073 7.375 ( -2.079 -1.466 7.310) 7.740 7.450 ( -1.789 -0.038 5.015) 5.325 7.520 ( -7.986 -1.044 4.453) 9.203 7.604 ( 4.104 5.021 -1.280) 6.610 7.687 ( 1.101 -0.151 7.646) 7.727 7.729 ( -1.946 2.986 -4.952) 6.101 7.812 ( -8.029 2.848 -0.812) 8.558 8.006 ( 4.635 -2.362 -3.067) 6.039 8.045 ( 0.962 -1.939 -3.925) 4.482 8.081 ( 3.879 -0.960 0.222) 4.002 8.178 ( -3.837 -3.476 -0.812) 5.241 8.266 ( 5.021 3.339 -0.621) 6.062 8.331 ( -1.332 0.276 -0.572) 1.475 8.497 ( 0.996 2.113 0.725) 2.446 8.543 ( -1.411 1.436 0.662) 2.119 8.602 ( 2.548 0.063 -3.335) 4.198 8.618 ( 1.310 -1.016 -4.299) 4.608 8.686 ( -0.689 -1.346 0.251) 1.532 8.699 ( -1.446 -0.959 1.319) 2.180 9.127 ( 4.501 -3.087 8.139) 9.799 9.250 ( -4.993 -7.646 5.695) 10.762 9.444 ( 2.404 1.549 -5.024) 5.781 9.472 ( 0.116 2.700 -7.935) 8.383 9.691 ( 1.593 0.829 -4.325) 4.683 9.736 ( -0.601 0.660 -5.768) 5.836 9.756 ( 2.702 -0.916 7.211) 7.755 9.791 ( 0.564 -0.661 6.151) 6.213 9.847 ( -1.473 2.700 19.416) 19.659 9.968 ( -10.321 -0.427 20.284) 22.763 10.436 ( 0.308 -1.409 -7.523) 7.660 10.464 ( -1.519 -0.643 -5.372) 5.619 10.557 ( 3.120 3.059 -7.225) 8.444 10.612 ( -1.506 1.084 -7.115) 7.353 11.080 ( 0.431 0.857 3.014) 3.163 11.109 ( -1.632 -0.353 2.752) 3.219 11.352 ( 5.665 1.473 37.336) 37.792 11.495 ( 1.863 0.919 -0.405) 2.117 11.520 ( -2.827 -1.570 0.294) 3.246 11.569 ( 4.084 0.027 -0.754) 4.153 11.591 ( -1.196 -1.210 -8.838) 9.000 11.662 ( -0.572 0.647 -1.819) 2.014 11.704 ( -2.080 -0.154 -1.203) 2.407 11.864 ( -28.224 -12.313 56.601) 64.435 12.312 ( 0.463 -0.319 15.233) 15.243 12.346 ( -4.013 -2.737 21.846) 22.379 12.581 ( 1.471 -0.861 3.150) 3.582 12.598 ( 0.208 0.519 -2.350) 2.415 12.674 ( -2.414 -2.126 23.958) 24.173 12.716 ( -4.920 -0.692 18.933) 19.574 13.239 ( 1.712 3.024 -1.936) 3.978 13.307 ( -3.479 0.521 -0.385) 3.539 13.418 ( 3.389 1.129 -1.643) 3.931 13.474 ( -1.129 0.179 -0.644) 1.312 13.651 ( 1.314 -1.850 -6.648) 7.024 13.715 ( -3.447 -2.721 -4.856) 6.547 13.933 ( 2.588 -1.088 0.291) 2.822 13.996 ( -2.646 -2.291 3.202) 4.744 14.039 ( 1.372 0.787 3.338) 3.694 14.062 ( -0.627 0.353 3.911) 3.977 14.240 ( 0.689 3.726 1.131) 3.954 14.267 ( -1.499 2.002 1.652) 2.998 14.345 ( 1.948 -1.503 3.525) 4.299 14.407 ( -3.671 -1.786 5.449) 6.809 14.422 ( 1.874 1.307 1.725) 2.863 14.502 ( -4.193 1.716 0.237) 4.536 14.551 ( 6.317 -4.666 2.320) 8.189 14.689 ( -4.914 -1.426 1.221) 5.260 14.939 ( 8.663 -1.597 -2.040) 9.042 15.110 ( -5.393 -8.357 -1.582) 10.071 15.674 ( 5.391 -6.986 -1.784) 9.003 15.781 ( -1.425 -6.501 1.007) 6.731 15.922 ( 1.171 1.930 -5.268) 5.732 16.035 ( -6.454 0.019 -4.354) 7.785 16.579 ( 5.863 -7.287 -12.160) 15.341 16.657 ( 0.107 -9.584 -12.603) 15.834 16.924 ( 7.510 0.798 -10.429) 12.876 17.083 ( -5.351 -0.807 -5.597) 7.785 17.250 ( 3.998 -3.754 -3.649) 6.588 17.325 ( 4.020 -7.645 0.134) 8.638 17.534 ( 11.698 4.059 -2.032) 12.548 17.737 ( -4.941 9.054 -0.897) 10.354 18.008 ( 22.618 -13.776 -6.432) 27.253 18.336 ( -4.879 -0.524 -3.772) 6.190 18.555 ( 5.467 -4.485 -8.205) 10.831 18.836 ( -18.011 -19.533 -9.908) 28.357 19.321 ( 2.540 0.668 0.610) 2.697 19.460 ( -8.656 4.954 8.402) 13.041 19.987 ( 16.182 -1.774 4.370) 16.855 20.177 ( 2.452 -9.449 6.434) 11.692 21.185 ( 3.793 4.539 -11.347) 12.797 21.414 ( -10.265 -4.533 -9.537) 14.726 21.832 ( 4.331 13.989 -14.252) 20.435 21.978 ( -4.139 5.096 -7.901) 10.272 22.030 ( 0.660 -1.449 -2.216) 2.729 22.096 ( -2.943 -0.222 -0.141) 2.955 22.210 ( 0.444 0.432 7.657) 7.682 22.269 ( -2.150 -1.155 10.627) 10.903 22.422 ( 6.538 12.035 -13.526) 19.249 22.558 ( -3.271 14.437 -19.463) 24.453 22.984 ( 1.174 1.247 -5.781) 6.030 23.042 ( -2.490 -0.097 -7.038) 7.467 23.758 ( 1.354 -1.401 -2.024) 2.809 23.780 ( -0.040 -2.328 -4.379) 4.959 ======================= Grid point 21 (11/36) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 -13.867 14.317) 19.932 1.391 ( 0.000 13.867 14.317) 19.932 1.569 ( 0.000 -16.621 22.101) 27.654 1.569 ( 0.000 16.621 22.101) 27.654 2.097 ( 0.000 -1.242 -0.947) 1.562 2.097 ( 0.000 1.242 -0.947) 1.562 2.199 ( 0.000 -13.795 0.395) 13.800 2.199 ( 0.000 13.795 0.395) 13.800 2.285 ( 0.000 -25.642 15.582) 30.005 2.285 ( 0.000 25.642 15.582) 30.005 2.556 ( 0.000 -15.276 11.349) 19.030 2.556 ( 0.000 15.276 11.349) 19.030 2.766 ( 0.000 -0.121 -5.098) 5.099 2.766 ( 0.000 0.121 -5.098) 5.099 2.958 ( 0.000 -6.264 0.558) 6.288 2.958 ( 0.000 6.264 0.558) 6.288 3.030 ( 0.000 -1.292 -2.608) 2.910 3.030 ( 0.000 1.292 -2.608) 2.910 3.076 ( 0.000 -7.267 1.417) 7.404 3.076 ( 0.000 7.267 1.417) 7.404 3.389 ( 0.000 -5.713 6.914) 8.969 3.389 ( 0.000 5.713 6.914) 8.969 3.411 ( 0.000 -3.072 3.652) 4.772 3.411 ( 0.000 3.072 3.652) 4.772 3.602 ( 0.000 -2.852 14.014) 14.301 3.602 ( 0.000 2.852 14.014) 14.301 3.831 ( 0.000 -1.050 2.113) 2.359 3.831 ( 0.000 1.050 2.113) 2.359 3.991 ( 0.000 -1.750 -1.187) 2.115 3.991 ( 0.000 1.750 -1.187) 2.115 4.120 ( 0.000 -3.187 -2.204) 3.875 4.120 ( 0.000 3.187 -2.204) 3.875 4.226 ( 0.000 -1.107 -1.691) 2.021 4.226 ( 0.000 1.107 -1.691) 2.021 4.470 ( 0.000 -1.806 9.309) 9.483 4.470 ( 0.000 1.806 9.309) 9.483 4.599 ( 0.000 -6.527 2.904) 7.144 4.599 ( 0.000 6.527 2.904) 7.144 4.750 ( 0.000 -5.139 0.130) 5.140 4.750 ( 0.000 5.139 0.130) 5.140 4.856 ( 0.000 -0.012 -3.794) 3.794 4.856 ( 0.000 0.012 -3.794) 3.794 5.139 ( 0.000 -4.919 5.493) 7.373 5.139 ( 0.000 4.919 5.493) 7.373 5.196 ( 0.000 -0.016 -5.204) 5.204 5.196 ( 0.000 0.016 -5.204) 5.204 5.358 ( 0.000 -1.885 6.282) 6.559 5.358 ( 0.000 1.885 6.282) 6.559 5.433 ( 0.000 -0.927 0.928) 1.312 5.433 ( 0.000 0.927 0.928) 1.312 5.537 ( 0.000 -0.714 -12.006) 12.027 5.537 ( 0.000 0.714 -12.006) 12.027 5.648 ( 0.000 -5.690 2.548) 6.235 5.648 ( 0.000 5.690 2.548) 6.235 5.858 ( 0.000 -5.684 -0.695) 5.727 5.858 ( 0.000 5.684 -0.695) 5.727 6.111 ( 0.000 -1.773 -7.324) 7.535 6.111 ( 0.000 1.773 -7.324) 7.535 6.233 ( 0.000 -0.122 -5.237) 5.238 6.233 ( 0.000 0.122 -5.237) 5.238 6.295 ( 0.000 -1.287 1.431) 1.925 6.295 ( 0.000 1.287 1.431) 1.925 6.362 ( 0.000 -2.909 -8.254) 8.752 6.362 ( 0.000 2.909 -8.254) 8.752 6.518 ( 0.000 -2.082 1.182) 2.394 6.518 ( 0.000 2.082 1.182) 2.394 6.684 ( 0.000 -3.690 5.957) 7.007 6.684 ( 0.000 3.690 5.957) 7.007 6.838 ( 0.000 -2.158 4.961) 5.410 6.838 ( 0.000 2.158 4.961) 5.410 6.916 ( 0.000 -0.099 4.770) 4.771 6.916 ( 0.000 0.099 4.770) 4.771 7.112 ( 0.000 -7.601 4.582) 8.875 7.112 ( 0.000 7.601 4.582) 8.875 7.227 ( 0.000 -2.024 5.821) 6.163 7.227 ( 0.000 2.024 5.821) 6.163 7.342 ( 0.000 -4.491 6.805) 8.154 7.342 ( 0.000 4.491 6.805) 8.154 7.529 ( 0.000 -0.028 4.566) 4.566 7.529 ( 0.000 0.028 4.566) 4.566 7.668 ( 0.000 -3.574 4.502) 5.748 7.668 ( 0.000 3.574 4.502) 5.748 7.755 ( 0.000 -0.887 -4.784) 4.866 7.755 ( 0.000 0.887 -4.784) 4.866 8.011 ( 0.000 -0.477 -2.044) 2.098 8.011 ( 0.000 0.477 -2.044) 2.098 8.143 ( 0.000 -0.455 -4.696) 4.718 8.143 ( 0.000 0.455 -4.696) 4.718 8.243 ( 0.000 -2.403 1.851) 3.033 8.243 ( 0.000 2.403 1.851) 3.033 8.520 ( 0.000 -1.658 4.857) 5.133 8.520 ( 0.000 1.658 4.857) 5.133 8.605 ( 0.000 -0.535 -6.239) 6.262 8.605 ( 0.000 0.535 -6.239) 6.262 8.669 ( 0.000 -1.377 2.340) 2.715 8.669 ( 0.000 1.377 2.340) 2.715 9.117 ( 0.000 -5.445 10.233) 11.591 9.117 ( 0.000 5.445 10.233) 11.591 9.448 ( 0.000 -1.243 -10.720) 10.792 9.448 ( 0.000 1.243 -10.720) 10.792 9.715 ( 0.000 -0.714 4.648) 4.703 9.715 ( 0.000 0.714 4.648) 4.703 9.735 ( 0.000 -2.423 3.222) 4.031 9.735 ( 0.000 2.423 3.222) 4.031 10.032 ( 0.000 -6.246 10.728) 12.413 10.032 ( 0.000 6.246 10.728) 12.413 10.478 ( 0.000 -0.227 -5.820) 5.825 10.478 ( 0.000 0.227 -5.820) 5.825 10.572 ( 0.000 -2.879 -7.149) 7.707 10.572 ( 0.000 2.879 -7.149) 7.707 11.118 ( 0.000 -1.545 1.510) 2.161 11.118 ( 0.000 1.545 1.510) 2.161 11.492 ( 0.000 -0.106 0.490) 0.502 11.492 ( 0.000 0.106 0.490) 0.502 11.534 ( 0.000 -0.209 -0.620) 0.654 11.534 ( 0.000 0.209 -0.620) 0.654 11.612 ( 0.000 -24.167 58.404) 63.206 11.612 ( 0.000 24.167 58.404) 63.206 11.719 ( 0.000 -0.449 -3.818) 3.844 11.719 ( 0.000 0.449 -3.818) 3.844 12.318 ( 0.000 -1.327 17.714) 17.763 12.318 ( 0.000 1.327 17.714) 17.763 12.559 ( 0.000 -1.049 1.248) 1.631 12.559 ( 0.000 1.049 1.248) 1.631 12.681 ( 0.000 -0.934 16.807) 16.833 12.681 ( 0.000 0.934 16.807) 16.833 13.305 ( 0.000 -2.535 -3.347) 4.198 13.305 ( 0.000 2.535 -3.347) 4.198 13.499 ( 0.000 -8.580 -1.958) 8.801 13.499 ( 0.000 8.580 -1.958) 8.801 13.602 ( 0.000 -7.927 -2.206) 8.228 13.602 ( 0.000 7.927 -2.206) 8.228 13.962 ( 0.000 -3.051 0.538) 3.098 13.962 ( 0.000 3.051 0.538) 3.098 14.061 ( 0.000 -1.766 3.200) 3.655 14.061 ( 0.000 1.766 3.200) 3.655 14.296 ( 0.000 -0.907 1.866) 2.075 14.296 ( 0.000 0.907 1.866) 2.075 14.342 ( 0.000 -3.259 1.178) 3.465 14.342 ( 0.000 3.259 1.178) 3.465 14.429 ( 0.000 -1.795 3.903) 4.296 14.429 ( 0.000 1.795 3.903) 4.296 14.710 ( 0.000 -1.662 -3.217) 3.620 14.710 ( 0.000 1.662 -3.217) 3.620 14.893 ( 0.000 -9.575 4.262) 10.480 14.893 ( 0.000 9.575 4.262) 10.480 15.631 ( 0.000 -2.661 -3.629) 4.500 15.631 ( 0.000 2.661 -3.629) 4.500 16.065 ( 0.000 -3.655 1.328) 3.888 16.065 ( 0.000 3.655 1.328) 3.888 16.476 ( 0.000 -4.758 -16.599) 17.268 16.476 ( 0.000 4.758 -16.599) 17.268 16.823 ( 0.000 -2.799 -2.519) 3.766 16.823 ( 0.000 2.799 -2.519) 3.766 17.146 ( 0.000 -0.194 -6.647) 6.650 17.146 ( 0.000 0.194 -6.647) 6.650 17.600 ( 0.000 -4.507 0.268) 4.515 17.600 ( 0.000 4.507 0.268) 4.515 18.311 ( 0.000 -17.027 -13.199) 21.544 18.311 ( 0.000 17.027 -13.199) 21.544 18.591 ( 0.000 -14.469 -1.001) 14.504 18.591 ( 0.000 14.469 -1.001) 14.504 19.467 ( 0.000 -1.246 4.723) 4.884 19.467 ( 0.000 1.246 4.723) 4.884 19.856 ( 0.000 -5.752 8.652) 10.390 19.856 ( 0.000 5.752 8.652) 10.390 21.396 ( 0.000 -7.796 -11.490) 13.886 21.396 ( 0.000 7.796 -11.490) 13.886 21.992 ( 0.000 -0.920 -1.928) 2.136 21.992 ( 0.000 0.920 -1.928) 2.136 22.104 ( 0.000 -2.201 0.662) 2.298 22.104 ( 0.000 2.201 0.662) 2.298 22.287 ( 0.000 -0.334 6.524) 6.532 22.287 ( 0.000 0.334 6.524) 6.532 22.532 ( 0.000 -4.091 -24.751) 25.087 22.532 ( 0.000 4.091 -24.751) 25.087 23.030 ( 0.000 -1.341 -4.882) 5.063 23.030 ( 0.000 1.341 -4.882) 5.063 23.732 ( 0.000 -0.486 -4.459) 4.485 23.732 ( 0.000 0.486 -4.459) 4.485 ======================= Grid point 23 (12/36) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.190 0.000 4.726) 4.729 1.370 ( -0.649 0.000 6.368) 6.401 1.583 ( 8.520 0.000 13.460) 15.930 1.770 ( -1.923 -0.000 10.462) 10.637 1.893 ( -8.883 0.000 10.044) 13.408 1.900 ( -9.219 -0.000 8.040) 12.232 2.007 ( -4.807 -0.000 -2.961) 5.646 2.089 ( -6.720 0.000 4.907) 8.321 2.470 ( 9.238 0.000 22.861) 24.657 2.525 ( 5.580 -0.000 13.593) 14.694 2.620 ( 6.384 0.000 8.831) 10.897 2.633 ( 5.800 -0.000 7.144) 9.202 2.796 ( 3.502 0.000 -3.679) 5.080 2.844 ( 1.950 0.000 -5.526) 5.860 2.885 ( -3.046 0.000 -1.070) 3.228 2.938 ( -5.747 0.000 -1.949) 6.069 3.017 ( 1.916 0.000 1.612) 2.504 3.066 ( 2.448 0.000 -0.038) 2.449 3.090 ( 1.348 0.000 1.266) 1.849 3.146 ( 1.698 -0.000 0.341) 1.732 3.369 ( -0.772 -0.000 3.231) 3.322 3.381 ( -1.419 0.000 0.377) 1.468 3.432 ( 1.461 0.000 9.881) 9.988 3.437 ( 0.914 0.000 7.849) 7.902 3.558 ( -1.308 0.000 16.220) 16.273 3.587 ( -2.721 0.000 19.276) 19.467 3.845 ( 2.590 0.000 2.037) 3.295 3.862 ( 1.452 0.000 2.354) 2.766 3.977 ( -1.000 -0.000 -0.285) 1.040 3.985 ( -0.156 0.000 -1.499) 1.507 4.001 ( -4.873 -0.000 2.295) 5.387 4.021 ( -4.298 0.000 3.066) 5.279 4.282 ( 2.269 0.000 -1.354) 2.643 4.340 ( 1.820 0.000 0.758) 1.972 4.507 ( 3.805 0.000 2.950) 4.814 4.576 ( 5.989 0.000 2.027) 6.323 4.579 ( -0.580 -0.000 3.658) 3.704 4.596 ( 0.589 0.000 -3.867) 3.912 4.707 ( -4.515 0.000 -3.302) 5.594 4.717 ( -0.888 0.000 7.893) 7.942 4.740 ( -2.899 0.000 -8.871) 9.333 4.817 ( -5.314 0.000 0.638) 5.353 5.162 ( 1.754 0.000 -4.129) 4.486 5.194 ( -0.433 0.000 -2.913) 2.946 5.251 ( 6.260 0.000 6.226) 8.829 5.253 ( 2.691 -0.000 2.357) 3.577 5.318 ( -0.267 0.000 4.827) 4.834 5.353 ( -4.447 0.000 -2.572) 5.137 5.369 ( 0.525 0.000 1.082) 1.202 5.499 ( -5.025 0.000 -0.019) 5.025 5.532 ( 3.753 0.000 -1.240) 3.952 5.541 ( 3.744 0.000 -4.494) 5.849 5.609 ( -0.868 0.000 1.861) 2.054 5.645 ( -2.617 0.000 2.879) 3.891 5.887 ( 1.783 0.000 -2.180) 2.816 5.895 ( 1.571 0.000 -6.108) 6.307 6.086 ( -0.204 0.000 -11.280) 11.282 6.104 ( -1.639 0.000 -9.343) 9.486 6.171 ( -1.303 0.000 -4.930) 5.099 6.203 ( -3.512 0.000 -8.350) 9.059 6.269 ( 0.863 -0.000 -2.054) 2.228 6.302 ( -2.317 0.000 -3.887) 4.526 6.418 ( 5.954 0.000 1.698) 6.192 6.436 ( 4.352 0.000 -0.039) 4.352 6.540 ( 0.884 0.000 -1.981) 2.170 6.595 ( 5.452 0.000 9.373) 10.843 6.644 ( -6.228 0.000 1.997) 6.540 6.715 ( -1.057 0.000 7.635) 7.708 6.840 ( 2.952 0.000 3.909) 4.898 6.841 ( 2.186 -0.000 3.589) 4.202 6.882 ( 0.704 0.000 1.782) 1.916 6.958 ( -1.471 -0.000 1.551) 2.138 7.065 ( -1.781 0.000 4.205) 4.567 7.075 ( -6.574 0.000 5.952) 8.868 7.128 ( -0.616 0.000 8.285) 8.308 7.184 ( -4.286 0.000 8.307) 9.348 7.322 ( -0.193 -0.000 0.371) 0.418 7.329 ( -0.140 0.000 3.031) 3.034 7.457 ( -1.355 0.000 7.330) 7.455 7.519 ( -6.286 0.000 7.247) 9.593 7.665 ( 4.678 0.000 5.843) 7.485 7.680 ( 3.401 -0.000 3.035) 4.558 7.772 ( 1.180 0.000 -6.023) 6.138 7.854 ( -4.244 0.000 -2.271) 4.813 7.972 ( 0.466 0.000 -4.117) 4.144 8.003 ( 0.180 -0.000 -1.579) 1.589 8.080 ( 2.599 0.000 -1.391) 2.947 8.137 ( -3.002 0.000 -1.455) 3.336 8.317 ( 2.886 -0.000 -3.111) 4.244 8.322 ( 1.945 0.000 0.314) 1.970 8.543 ( 2.394 -0.000 4.047) 4.702 8.553 ( 1.342 0.000 0.701) 1.514 8.597 ( -0.078 0.000 -6.989) 6.990 8.606 ( -0.440 0.000 -6.441) 6.456 8.668 ( 0.784 0.000 2.204) 2.339 8.684 ( -0.115 0.000 2.450) 2.453 9.110 ( 0.426 0.000 6.748) 6.762 9.124 ( -0.262 0.000 8.619) 8.623 9.462 ( 3.125 0.000 -5.726) 6.523 9.505 ( 0.915 0.000 -7.878) 7.931 9.701 ( 1.114 0.000 -4.789) 4.917 9.732 ( 2.192 0.000 2.678) 3.461 9.763 ( 1.842 -0.000 2.251) 2.909 9.775 ( 2.007 0.000 8.058) 8.304 9.902 ( -7.568 0.000 21.446) 22.742 9.943 ( -7.859 -0.000 17.935) 19.581 10.421 ( -0.367 0.000 -6.810) 6.820 10.457 ( -3.064 0.000 -6.207) 6.922 10.595 ( 2.814 0.000 -6.170) 6.781 10.626 ( 0.561 0.000 -6.635) 6.659 11.096 ( -1.036 0.000 1.198) 1.584 11.099 ( -1.263 -0.000 2.777) 3.051 11.423 ( -3.266 0.000 35.844) 35.993 11.435 ( -2.699 -0.000 20.129) 20.310 11.545 ( 2.746 0.000 -4.118) 4.950 11.577 ( 1.500 -0.000 -9.339) 9.458 11.583 ( 1.413 0.000 15.584) 15.648 11.629 ( -2.443 0.000 34.335) 34.422 11.677 ( -1.227 0.000 1.518) 1.952 11.707 ( -2.158 0.000 -2.000) 2.942 12.308 ( 0.042 0.000 15.601) 15.601 12.316 ( -0.562 0.000 16.648) 16.658 12.572 ( 1.414 0.000 7.945) 8.070 12.610 ( -0.015 0.000 -1.082) 1.082 12.648 ( 1.664 0.000 19.150) 19.222 12.701 ( -0.821 0.000 11.318) 11.347 13.258 ( -0.393 0.000 -2.176) 2.211 13.295 ( -2.815 0.000 -0.721) 2.906 13.491 ( 1.935 0.000 -4.142) 4.572 13.529 ( -0.716 0.000 -3.815) 3.881 13.610 ( 1.083 0.000 -1.540) 1.882 13.619 ( 0.457 -0.000 -1.686) 1.747 13.945 ( -0.644 0.000 -0.764) 1.000 13.953 ( -1.121 0.000 -0.195) 1.138 14.057 ( 0.498 0.000 2.815) 2.859 14.065 ( 0.007 0.000 3.413) 3.413 14.277 ( 0.079 0.000 1.317) 1.319 14.306 ( -1.519 0.000 0.722) 1.682 14.340 ( 0.700 0.000 5.302) 5.348 14.368 ( -0.822 -0.000 6.052) 6.108 14.433 ( 3.315 0.000 0.199) 3.321 14.494 ( 5.668 0.000 3.012) 6.418 14.548 ( -6.047 0.000 -2.073) 6.392 14.657 ( -7.481 0.000 3.830) 8.404 14.920 ( 4.656 0.000 -1.994) 5.065 14.975 ( 0.451 0.000 -0.354) 0.573 15.605 ( 2.120 0.000 -3.600) 4.178 15.684 ( -2.849 0.000 0.215) 2.857 15.952 ( 0.340 0.000 -5.919) 5.928 16.027 ( -4.154 0.000 -3.040) 5.147 16.489 ( 5.188 0.000 -16.586) 17.378 16.564 ( -1.007 0.000 -15.913) 15.945 16.930 ( 7.923 0.000 -6.809) 10.446 17.067 ( -3.419 0.000 -1.444) 3.712 17.207 ( 3.927 0.000 -3.462) 5.235 17.230 ( 10.653 0.000 0.084) 10.653 17.595 ( 14.468 0.000 -5.387) 15.438 17.781 ( 8.342 0.000 3.290) 8.968 18.109 ( -10.060 0.000 -8.242) 13.005 18.206 ( -20.351 0.000 -5.630) 21.116 18.467 ( 7.148 -0.000 -12.462) 14.367 18.642 ( -6.309 0.000 -6.755) 9.243 19.324 ( 3.916 0.000 5.692) 6.909 19.508 ( -9.399 0.000 12.393) 15.554 19.964 ( 13.168 0.000 2.781) 13.458 20.060 ( 5.145 0.000 8.098) 9.594 21.269 ( -3.271 0.000 -11.185) 11.654 21.345 ( -7.482 0.000 -8.362) 11.221 21.956 ( 1.794 0.000 -5.771) 6.043 22.010 ( -0.411 0.000 -4.432) 4.451 22.034 ( -2.429 0.000 -3.350) 4.138 22.100 ( -6.524 0.000 -1.880) 6.790 22.227 ( 0.195 0.000 11.177) 11.178 22.237 ( -0.621 -0.000 8.577) 8.600 22.584 ( 9.319 0.000 -20.053) 22.113 22.715 ( 0.580 0.000 -20.485) 20.494 23.004 ( 0.751 0.000 -6.796) 6.837 23.040 ( -1.000 0.000 -8.220) 8.280 23.740 ( 0.831 -0.000 -3.683) 3.775 23.748 ( 0.398 0.000 -3.685) 3.706 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 0.000 29.759) 29.759 1.445 ( 0.000 0.000 31.149) 31.149 1.873 ( 0.000 0.000 -8.534) 8.534 1.919 ( 0.000 0.000 14.335) 14.335 2.161 ( 0.000 0.000 28.342) 28.342 2.212 ( 0.000 0.000 1.032) 1.032 2.361 ( 0.000 0.000 11.673) 11.673 2.367 ( 0.000 0.000 6.115) 6.115 2.538 ( 0.000 0.000 25.598) 25.598 2.664 ( 0.000 0.000 3.653) 3.653 2.732 ( 0.000 0.000 7.225) 7.225 2.772 ( 0.000 0.000 8.206) 8.206 2.803 ( 0.000 0.000 -0.552) 0.552 2.946 ( 0.000 0.000 21.924) 21.924 3.047 ( 0.000 0.000 7.427) 7.427 3.131 ( 0.000 0.000 -2.247) 2.247 3.209 ( 0.000 0.000 -4.233) 4.233 3.267 ( 0.000 0.000 0.356) 0.356 3.313 ( 0.000 0.000 3.401) 3.401 3.323 ( 0.000 0.000 3.268) 3.268 3.435 ( 0.000 0.000 9.756) 9.756 3.557 ( 0.000 0.000 -0.401) 0.401 3.601 ( 0.000 0.000 1.548) 1.548 3.650 ( 0.000 0.000 4.592) 4.592 3.658 ( 0.000 0.000 -2.064) 2.064 3.749 ( 0.000 0.000 2.244) 2.244 3.831 ( 0.000 0.000 1.289) 1.289 3.837 ( 0.000 0.000 -2.332) 2.332 3.898 ( 0.000 0.000 -5.774) 5.774 4.020 ( 0.000 0.000 4.796) 4.796 4.109 ( 0.000 0.000 -8.154) 8.154 4.123 ( 0.000 0.000 1.786) 1.786 4.200 ( 0.000 0.000 13.071) 13.071 4.472 ( 0.000 0.000 -0.666) 0.666 4.515 ( 0.000 0.000 5.242) 5.242 4.594 ( 0.000 0.000 0.586) 0.586 4.685 ( 0.000 0.000 4.067) 4.067 4.710 ( 0.000 0.000 12.969) 12.969 4.800 ( 0.000 0.000 5.301) 5.301 4.834 ( 0.000 0.000 7.028) 7.028 4.885 ( 0.000 0.000 -6.939) 6.939 4.945 ( 0.000 0.000 2.272) 2.272 4.980 ( 0.000 0.000 0.500) 0.500 5.054 ( 0.000 0.000 2.400) 2.400 5.090 ( 0.000 0.000 1.990) 1.990 5.129 ( 0.000 0.000 1.178) 1.178 5.175 ( 0.000 0.000 5.199) 5.199 5.399 ( 0.000 0.000 9.539) 9.539 5.454 ( 0.000 0.000 3.231) 3.231 5.471 ( 0.000 0.000 2.119) 2.119 5.507 ( 0.000 0.000 3.018) 3.018 5.603 ( 0.000 0.000 1.848) 1.848 5.692 ( 0.000 0.000 -0.636) 0.636 5.784 ( 0.000 0.000 14.943) 14.943 5.870 ( 0.000 0.000 -11.588) 11.588 5.877 ( 0.000 0.000 -1.014) 1.014 5.893 ( 0.000 0.000 4.014) 4.014 5.943 ( 0.000 0.000 -11.172) 11.172 5.954 ( 0.000 0.000 -6.585) 6.585 6.007 ( 0.000 0.000 -5.870) 5.870 6.146 ( 0.000 0.000 0.266) 0.266 6.280 ( 0.000 0.000 -1.320) 1.320 6.416 ( 0.000 0.000 3.266) 3.266 6.439 ( 0.000 0.000 4.451) 4.451 6.606 ( 0.000 0.000 1.492) 1.492 6.622 ( 0.000 0.000 2.265) 2.265 6.763 ( 0.000 0.000 8.127) 8.127 6.822 ( 0.000 0.000 6.780) 6.780 6.864 ( 0.000 0.000 -2.149) 2.149 6.886 ( 0.000 0.000 7.226) 7.226 6.962 ( 0.000 0.000 -2.861) 2.861 7.071 ( 0.000 0.000 2.873) 2.873 7.105 ( 0.000 0.000 3.326) 3.326 7.132 ( 0.000 0.000 10.214) 10.214 7.193 ( 0.000 0.000 -0.075) 0.075 7.220 ( 0.000 0.000 14.722) 14.722 7.245 ( 0.000 0.000 -7.104) 7.104 7.452 ( 0.000 0.000 -13.290) 13.290 7.552 ( 0.000 0.000 1.266) 1.266 7.609 ( 0.000 0.000 2.183) 2.183 7.640 ( 0.000 0.000 3.667) 3.667 7.734 ( 0.000 0.000 1.487) 1.487 7.891 ( 0.000 0.000 0.254) 0.254 7.923 ( 0.000 0.000 -4.703) 4.703 7.955 ( 0.000 0.000 -4.865) 4.865 7.960 ( 0.000 0.000 5.032) 5.032 8.007 ( 0.000 0.000 4.394) 4.394 8.036 ( 0.000 0.000 6.001) 6.001 8.169 ( 0.000 0.000 -6.469) 6.469 8.404 ( 0.000 0.000 -6.148) 6.148 8.408 ( 0.000 0.000 1.906) 1.906 8.430 ( 0.000 0.000 -8.590) 8.590 8.497 ( 0.000 0.000 -1.609) 1.609 8.650 ( 0.000 0.000 2.327) 2.327 8.733 ( 0.000 0.000 5.124) 5.124 8.836 ( 0.000 0.000 7.182) 7.182 9.113 ( 0.000 0.000 -20.559) 20.559 9.220 ( 0.000 0.000 -8.841) 8.841 9.261 ( 0.000 0.000 6.659) 6.659 9.532 ( 0.000 0.000 3.761) 3.761 9.546 ( 0.000 0.000 -7.654) 7.654 9.571 ( 0.000 0.000 -5.003) 5.003 9.801 ( 0.000 0.000 1.485) 1.485 9.927 ( 0.000 0.000 4.421) 4.421 10.006 ( 0.000 0.000 0.333) 0.333 10.161 ( 0.000 0.000 -6.830) 6.830 10.230 ( 0.000 0.000 -12.719) 12.719 10.302 ( 0.000 0.000 2.741) 2.741 10.412 ( 0.000 0.000 -15.014) 15.014 10.449 ( 0.000 0.000 -3.398) 3.398 11.075 ( 0.000 0.000 -4.662) 4.662 11.171 ( 0.000 0.000 -5.481) 5.481 11.311 ( 0.000 0.000 -8.820) 8.820 11.449 ( 0.000 0.000 -9.373) 9.373 11.495 ( 0.000 0.000 -9.900) 9.900 11.495 ( 0.000 0.000 9.418) 9.418 11.528 ( 0.000 0.000 6.910) 6.910 11.640 ( 0.000 0.000 -8.812) 8.812 12.187 ( 0.000 0.000 49.334) 49.334 12.513 ( 0.000 0.000 -3.593) 3.593 12.518 ( 0.000 0.000 -0.615) 0.615 12.563 ( 0.000 0.000 19.043) 19.043 12.684 ( 0.000 0.000 23.383) 23.383 12.836 ( 0.000 0.000 15.011) 15.011 13.058 ( 0.000 0.000 -6.753) 6.753 13.234 ( 0.000 0.000 20.817) 20.817 13.269 ( 0.000 0.000 -0.292) 0.292 13.294 ( 0.000 0.000 -4.874) 4.874 13.389 ( 0.000 0.000 3.555) 3.555 13.447 ( 0.000 0.000 -8.996) 8.996 13.643 ( 0.000 0.000 -13.098) 13.098 13.820 ( 0.000 0.000 -2.196) 2.196 14.074 ( 0.000 0.000 4.193) 4.193 14.132 ( 0.000 0.000 8.819) 8.819 14.183 ( 0.000 0.000 6.025) 6.025 14.197 ( 0.000 0.000 -2.540) 2.540 14.289 ( 0.000 0.000 1.274) 1.274 14.370 ( 0.000 0.000 5.409) 5.409 14.388 ( 0.000 0.000 0.191) 0.191 14.477 ( 0.000 0.000 2.173) 2.173 14.548 ( 0.000 0.000 8.863) 8.863 14.590 ( 0.000 0.000 -4.208) 4.208 14.657 ( 0.000 0.000 -0.006) 0.006 14.748 ( 0.000 0.000 0.478) 0.478 15.187 ( 0.000 0.000 -5.038) 5.038 15.635 ( 0.000 0.000 -1.632) 1.632 15.649 ( 0.000 0.000 7.449) 7.449 15.755 ( 0.000 0.000 -11.691) 11.691 15.947 ( 0.000 0.000 -8.846) 8.846 15.969 ( 0.000 0.000 3.728) 3.728 16.349 ( 0.000 0.000 -20.971) 20.971 16.391 ( 0.000 0.000 -10.487) 10.487 16.743 ( 0.000 0.000 -29.177) 29.177 17.035 ( 0.000 0.000 1.458) 1.458 17.132 ( 0.000 0.000 -6.700) 6.700 17.313 ( 0.000 0.000 -1.665) 1.665 17.315 ( 0.000 0.000 -3.914) 3.914 17.732 ( 0.000 0.000 1.358) 1.358 18.206 ( 0.000 0.000 -1.319) 1.319 18.225 ( 0.000 0.000 2.870) 2.870 18.363 ( 0.000 0.000 -7.049) 7.049 19.003 ( 0.000 0.000 -16.294) 16.294 19.020 ( 0.000 0.000 6.975) 6.975 19.709 ( 0.000 0.000 6.890) 6.890 19.746 ( 0.000 0.000 8.011) 8.011 20.165 ( 0.000 0.000 -0.108) 0.108 20.709 ( 0.000 0.000 9.727) 9.727 20.961 ( 0.000 0.000 -10.320) 10.320 21.659 ( 0.000 0.000 -22.719) 22.719 21.840 ( 0.000 0.000 0.804) 0.804 21.881 ( 0.000 0.000 -7.755) 7.755 22.001 ( 0.000 0.000 -4.500) 4.500 22.060 ( 0.000 0.000 -13.932) 13.932 22.243 ( 0.000 0.000 -1.017) 1.017 22.420 ( 0.000 0.000 9.807) 9.807 22.567 ( 0.000 0.000 12.555) 12.555 22.842 ( 0.000 0.000 -9.147) 9.147 22.911 ( 0.000 0.000 -10.387) 10.387 23.570 ( 0.000 0.000 -13.259) 13.259 23.720 ( 0.000 0.000 -5.414) 5.414 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -3.235 0.000 28.779) 28.960 1.385 ( 11.575 0.000 25.401) 27.914 1.508 ( -18.673 0.000 9.406) 20.909 1.700 ( -14.583 0.000 18.277) 23.382 2.290 ( 5.884 0.000 1.875) 6.175 2.312 ( 4.987 0.000 19.196) 19.833 2.399 ( -1.658 0.000 3.685) 4.041 2.419 ( -3.696 0.000 15.796) 16.223 2.614 ( 11.325 0.000 13.275) 17.450 2.703 ( 3.877 0.000 2.456) 4.589 2.741 ( 0.118 0.000 12.542) 12.543 2.789 ( -2.337 0.000 -0.586) 2.409 2.823 ( 3.309 0.000 2.737) 4.295 2.943 ( -3.308 0.000 17.509) 17.819 3.084 ( 4.180 0.000 6.788) 7.972 3.143 ( 1.131 0.000 -2.107) 2.391 3.174 ( -2.267 0.000 -3.262) 3.972 3.215 ( -4.465 0.000 3.432) 5.631 3.337 ( 2.459 0.000 6.609) 7.051 3.393 ( 5.995 0.000 2.345) 6.438 3.405 ( -2.480 0.000 7.790) 8.175 3.536 ( -5.499 0.000 2.451) 6.020 3.641 ( 4.792 0.000 0.936) 4.882 3.663 ( 1.375 0.000 3.277) 3.554 3.689 ( 0.773 0.000 -1.624) 1.799 3.713 ( -2.634 0.000 2.893) 3.913 3.850 ( 1.188 0.000 -2.331) 2.616 3.877 ( 3.687 0.000 1.747) 4.080 3.892 ( -1.571 0.000 -3.079) 3.456 3.971 ( -3.866 0.000 3.435) 5.171 4.130 ( 5.111 0.000 -2.048) 5.506 4.230 ( 2.425 0.000 -0.333) 2.448 4.279 ( 7.491 0.000 12.450) 14.530 4.458 ( 0.870 0.000 -0.160) 0.885 4.475 ( -3.496 0.000 6.073) 7.007 4.529 ( -4.416 0.000 1.355) 4.619 4.639 ( -6.126 0.000 10.244) 11.936 4.694 ( -5.376 0.000 4.445) 6.976 4.759 ( 4.705 0.000 2.389) 5.277 4.829 ( 2.364 0.000 5.759) 6.225 4.862 ( -3.610 0.000 0.463) 3.640 4.921 ( -3.563 0.000 3.984) 5.344 4.969 ( 0.589 0.000 -3.889) 3.933 5.007 ( -2.650 0.000 -3.715) 4.564 5.111 ( 2.765 0.000 6.829) 7.367 5.173 ( -1.582 0.000 4.996) 5.240 5.238 ( 7.006 0.000 0.795) 7.051 5.356 ( -2.706 0.000 4.874) 5.575 5.488 ( 2.511 0.000 0.486) 2.557 5.520 ( 0.308 0.000 -0.020) 0.309 5.549 ( 4.982 0.000 4.394) 6.643 5.614 ( -0.065 0.000 3.433) 3.434 5.666 ( -3.905 0.000 5.499) 6.744 5.691 ( -6.535 0.000 15.461) 16.786 5.817 ( 0.210 0.000 -5.842) 5.846 5.830 ( 2.108 0.000 -8.178) 8.445 5.864 ( -1.879 0.000 -4.878) 5.228 5.911 ( -3.379 0.000 -7.222) 7.973 6.017 ( 7.276 0.000 -1.712) 7.474 6.164 ( 5.323 0.000 -7.998) 9.608 6.206 ( 1.034 0.000 -4.433) 4.552 6.216 ( -9.592 0.000 1.285) 9.678 6.339 ( 6.520 0.000 0.099) 6.521 6.527 ( -7.857 0.000 0.899) 7.908 6.640 ( 8.717 0.000 4.174) 9.664 6.678 ( 5.915 0.000 0.904) 5.984 6.789 ( -3.774 0.000 2.464) 4.507 6.818 ( -5.020 0.000 3.118) 5.910 6.820 ( 3.953 0.000 7.415) 8.403 6.877 ( 3.907 0.000 8.231) 9.111 6.973 ( -4.845 0.000 4.633) 6.704 6.979 ( -5.684 0.000 6.194) 8.406 7.018 ( 1.724 0.000 1.002) 1.994 7.070 ( -3.092 0.000 3.959) 5.023 7.214 ( 0.099 0.000 -6.013) 6.014 7.312 ( -5.447 0.000 -6.343) 8.361 7.360 ( 9.093 0.000 7.502) 11.789 7.443 ( 8.925 0.000 1.439) 9.040 7.556 ( -6.480 0.000 3.111) 7.188 7.604 ( 0.390 0.000 5.451) 5.465 7.634 ( 2.281 0.000 6.213) 6.618 7.695 ( -0.920 0.000 -3.151) 3.283 7.767 ( -9.402 0.000 9.234) 13.178 7.793 ( -5.362 0.000 -0.306) 5.370 7.960 ( 2.640 0.000 -3.292) 4.220 7.994 ( 0.505 0.000 1.045) 1.160 8.074 ( 5.808 0.000 -7.062) 9.144 8.157 ( -1.433 0.000 -6.921) 7.068 8.224 ( 7.247 0.000 3.727) 8.149 8.357 ( -4.334 0.000 2.307) 4.910 8.390 ( -0.506 0.000 -6.023) 6.045 8.408 ( -1.732 0.000 -7.902) 8.090 8.529 ( 2.656 0.000 -1.363) 2.985 8.601 ( -3.291 0.000 0.254) 3.300 8.763 ( 2.238 0.000 6.635) 7.002 8.815 ( -1.889 0.000 6.889) 7.144 9.131 ( 1.798 0.000 -18.350) 18.438 9.187 ( -2.560 0.000 -13.164) 13.410 9.333 ( 5.569 0.000 5.931) 8.136 9.467 ( -5.233 0.000 4.400) 6.837 9.560 ( 1.579 0.000 -5.223) 5.457 9.590 ( -0.115 0.000 -5.691) 5.692 9.825 ( 2.465 0.000 3.169) 4.015 9.894 ( -2.759 0.000 4.469) 5.252 10.050 ( 3.426 0.000 -0.202) 3.432 10.130 ( -2.868 0.000 -3.313) 4.382 10.268 ( 3.217 0.000 -13.860) 14.229 10.343 ( 3.258 0.000 -0.996) 3.407 10.358 ( -4.048 0.000 -15.016) 15.552 10.418 ( -2.672 0.000 -3.448) 4.362 11.101 ( 2.046 0.000 -4.202) 4.674 11.150 ( -1.798 0.000 -4.943) 5.259 11.346 ( 2.799 0.000 -8.979) 9.405 11.416 ( -2.727 0.000 -9.376) 9.765 11.504 ( 0.782 0.000 8.215) 8.252 11.523 ( -0.592 0.000 7.335) 7.359 11.536 ( 3.181 0.000 -9.694) 10.202 11.609 ( -2.636 0.000 -9.220) 9.590 12.340 ( 11.673 0.000 40.498) 42.147 12.514 ( 0.091 0.000 -2.951) 2.953 12.517 ( -0.095 0.000 -1.506) 1.509 12.530 ( -3.670 0.000 20.806) 21.127 12.734 ( 4.610 0.000 25.407) 25.821 12.829 ( -1.520 0.000 16.879) 16.948 13.109 ( 4.117 0.000 -5.532) 6.896 13.202 ( 0.968 0.000 22.367) 22.388 13.215 ( -4.329 0.000 -2.706) 5.105 13.295 ( -2.387 0.000 4.205) 4.835 13.436 ( 5.142 0.000 7.150) 8.807 13.476 ( 2.635 0.000 -8.261) 8.671 13.560 ( -4.570 0.000 -9.665) 10.691 13.838 ( -29.849 0.000 20.820) 36.393 13.939 ( 7.314 0.000 -3.563) 8.135 14.063 ( -2.244 0.000 1.510) 2.705 14.172 ( 1.885 0.000 8.805) 9.005 14.191 ( 0.369 0.000 -1.329) 1.379 14.230 ( -2.981 0.000 7.880) 8.425 14.262 ( -5.897 0.000 1.326) 6.045 14.423 ( 1.482 0.000 2.363) 2.789 14.469 ( -3.172 0.000 0.979) 3.320 14.510 ( 3.098 0.000 5.988) 6.742 14.573 ( -0.050 0.000 6.678) 6.678 14.729 ( -0.547 0.000 4.594) 4.627 14.893 ( -22.769 0.000 26.668) 35.066 14.894 ( 11.634 0.000 -3.476) 12.142 15.110 ( -6.734 0.000 -4.804) 8.272 15.772 ( 1.930 0.000 -8.687) 8.899 15.773 ( 3.307 0.000 -2.634) 4.228 15.861 ( -5.879 0.000 -2.526) 6.399 15.870 ( -4.976 0.000 -7.291) 8.827 16.505 ( 9.637 0.000 -20.564) 22.710 16.525 ( 9.976 0.000 -10.323) 14.356 16.683 ( -5.343 0.000 -26.230) 26.769 16.787 ( -12.813 0.000 -7.149) 14.672 17.174 ( 3.522 0.000 -5.028) 6.139 17.267 ( -3.765 0.000 -2.224) 4.373 17.435 ( 10.936 0.000 0.276) 10.939 17.690 ( -9.368 0.000 1.953) 9.570 18.222 ( 1.842 0.000 -3.143) 3.643 18.299 ( -4.359 0.000 -5.904) 7.339 18.631 ( 19.211 0.000 -16.252) 25.163 18.920 ( -7.511 0.000 -16.905) 18.499 19.129 ( 8.693 0.000 7.366) 11.394 19.381 ( -13.243 0.000 8.016) 15.480 20.125 ( 17.244 0.000 5.976) 18.250 20.485 ( -14.173 0.000 5.463) 15.190 20.712 ( 36.551 0.000 -15.559) 39.724 21.183 ( 13.909 0.000 -5.666) 15.019 21.415 ( -22.076 0.000 -24.409) 32.911 21.522 ( -15.505 0.000 -4.368) 16.109 21.980 ( 2.155 0.000 -5.709) 6.102 22.063 ( -3.017 0.000 -7.233) 7.837 22.108 ( 7.839 0.000 -3.012) 8.398 22.219 ( -2.455 0.000 -1.906) 3.108 22.452 ( 2.838 0.000 11.154) 11.509 22.529 ( -3.117 0.000 12.313) 12.702 22.815 ( 0.483 0.000 -9.825) 9.837 22.872 ( -3.127 0.000 -10.595) 11.047 23.640 ( 4.100 0.000 -11.083) 11.817 23.705 ( -1.533 0.000 -7.226) 7.387 ======================= Grid point 33 (15/36) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 14.658 22.413) 26.781 1.532 ( 0.000 7.863 27.301) 28.411 1.902 ( 0.000 2.173 -7.010) 7.339 1.919 ( 0.000 0.212 11.386) 11.388 2.146 ( 0.000 -4.307 1.087) 4.442 2.269 ( 0.000 -1.609 15.974) 16.055 2.365 ( 0.000 9.881 22.909) 24.949 2.410 ( 0.000 2.958 5.777) 6.491 2.449 ( 0.000 -18.324 9.779) 20.770 2.617 ( 0.000 9.797 21.639) 23.753 2.619 ( 0.000 -14.928 10.272) 18.120 2.753 ( 0.000 3.848 2.542) 4.612 2.859 ( 0.000 5.959 9.707) 11.390 2.895 ( 0.000 -0.340 -0.087) 0.351 3.043 ( 0.000 -10.081 0.121) 10.082 3.064 ( 0.000 -6.399 3.139) 7.128 3.119 ( 0.000 -6.675 0.501) 6.694 3.189 ( 0.000 -9.634 1.276) 9.718 3.206 ( 0.000 -8.764 5.308) 10.246 3.286 ( 0.000 2.483 8.758) 9.103 3.311 ( 0.000 -1.089 2.619) 2.836 3.486 ( 0.000 -4.189 -0.261) 4.197 3.606 ( 0.000 -1.126 5.472) 5.587 3.630 ( 0.000 0.504 5.124) 5.148 3.767 ( 0.000 -0.513 3.880) 3.914 3.775 ( 0.000 4.476 3.350) 5.591 3.896 ( 0.000 2.584 3.024) 3.978 3.910 ( 0.000 3.500 0.229) 3.508 3.914 ( 0.000 0.974 0.314) 1.023 4.039 ( 0.000 0.063 1.722) 1.723 4.123 ( 0.000 2.584 -0.519) 2.636 4.137 ( 0.000 3.096 0.658) 3.165 4.200 ( 0.000 1.130 11.175) 11.232 4.430 ( 0.000 -6.195 11.536) 13.095 4.515 ( 0.000 -1.282 8.746) 8.839 4.574 ( 0.000 0.765 -0.638) 0.996 4.607 ( 0.000 -1.985 -3.979) 4.447 4.741 ( 0.000 -0.414 3.916) 3.938 4.760 ( 0.000 1.543 8.248) 8.391 4.819 ( 0.000 -7.384 6.428) 9.790 4.842 ( 0.000 4.035 3.472) 5.323 4.985 ( 0.000 -0.900 2.457) 2.617 5.079 ( 0.000 1.151 -2.376) 2.640 5.082 ( 0.000 7.257 -8.308) 11.031 5.138 ( 0.000 2.634 -0.368) 2.660 5.181 ( 0.000 4.828 -1.240) 4.985 5.192 ( 0.000 1.041 5.091) 5.196 5.390 ( 0.000 -4.664 2.575) 5.328 5.426 ( 0.000 3.342 8.146) 8.805 5.508 ( 0.000 1.933 3.958) 4.405 5.517 ( 0.000 0.541 2.607) 2.662 5.599 ( 0.000 -1.394 1.998) 2.437 5.718 ( 0.000 2.077 -5.579) 5.953 5.772 ( 0.000 -0.574 8.729) 8.747 5.810 ( 0.000 -2.937 1.543) 3.318 5.880 ( 0.000 -3.441 -4.465) 5.637 5.890 ( 0.000 2.110 -6.846) 7.164 5.966 ( 0.000 0.295 1.359) 1.391 6.028 ( 0.000 6.228 -7.334) 9.622 6.034 ( 0.000 2.458 -7.504) 7.897 6.138 ( 0.000 -0.580 -0.714) 0.920 6.285 ( 0.000 -0.082 -2.466) 2.467 6.350 ( 0.000 -3.917 3.363) 5.163 6.421 ( 0.000 -1.988 2.799) 3.434 6.572 ( 0.000 -1.777 4.511) 4.849 6.606 ( 0.000 -0.546 2.040) 2.112 6.771 ( 0.000 1.151 5.991) 6.100 6.862 ( 0.000 0.024 1.267) 1.267 6.878 ( 0.000 2.333 5.769) 6.223 6.904 ( 0.000 -2.098 2.324) 3.131 6.975 ( 0.000 1.117 1.431) 1.815 7.069 ( 0.000 2.640 6.205) 6.743 7.099 ( 0.000 -2.819 9.005) 9.436 7.142 ( 0.000 3.803 -2.647) 4.633 7.239 ( 0.000 5.360 1.689) 5.620 7.279 ( 0.000 3.206 -3.771) 4.949 7.314 ( 0.000 3.988 10.179) 10.932 7.453 ( 0.000 0.801 -13.111) 13.136 7.528 ( 0.000 -1.774 3.697) 4.101 7.590 ( 0.000 -3.343 -0.948) 3.475 7.670 ( 0.000 4.008 1.158) 4.172 7.770 ( 0.000 1.203 6.670) 6.777 7.843 ( 0.000 -3.319 2.217) 3.991 7.844 ( 0.000 -5.350 1.299) 5.505 7.931 ( 0.000 0.850 -7.363) 7.412 7.990 ( 0.000 -0.504 3.652) 3.687 8.025 ( 0.000 1.339 2.954) 3.243 8.058 ( 0.000 1.072 -1.470) 1.819 8.195 ( 0.000 2.221 -3.189) 3.886 8.348 ( 0.000 -3.889 -0.560) 3.929 8.412 ( 0.000 0.870 -6.870) 6.925 8.449 ( 0.000 0.288 -6.278) 6.285 8.514 ( 0.000 1.619 -0.376) 1.662 8.625 ( 0.000 -2.199 2.158) 3.081 8.731 ( 0.000 0.098 5.271) 5.271 8.803 ( 0.000 -2.548 6.765) 7.229 9.136 ( 0.000 1.853 -18.963) 19.053 9.215 ( 0.000 -0.875 -10.639) 10.675 9.254 ( 0.000 0.384 7.884) 7.893 9.432 ( 0.000 -6.078 4.520) 7.574 9.588 ( 0.000 1.185 -5.505) 5.631 9.591 ( 0.000 1.425 -6.000) 6.167 9.822 ( 0.000 1.683 2.792) 3.260 9.907 ( 0.000 -1.652 5.074) 5.336 10.041 ( 0.000 2.795 -1.302) 3.083 10.148 ( 0.000 -1.267 -6.097) 6.227 10.258 ( 0.000 2.381 -13.266) 13.478 10.328 ( 0.000 1.717 -0.804) 1.896 10.394 ( 0.000 -1.281 -14.068) 14.126 10.439 ( 0.000 -1.001 -4.050) 4.172 11.087 ( 0.000 1.052 -5.081) 5.188 11.154 ( 0.000 -1.413 -6.143) 6.303 11.330 ( 0.000 1.666 -8.513) 8.675 11.426 ( 0.000 -1.892 -8.222) 8.437 11.489 ( 0.000 0.132 6.947) 6.949 11.516 ( 0.000 -0.906 7.151) 7.208 11.531 ( 0.000 2.291 -8.503) 8.806 11.625 ( 0.000 -1.401 -9.236) 9.342 12.328 ( 0.000 11.807 44.565) 46.103 12.513 ( 0.000 0.164 -1.992) 1.999 12.515 ( 0.000 -0.249 0.390) 0.463 12.564 ( 0.000 -0.111 18.247) 18.247 12.732 ( 0.000 5.417 28.023) 28.542 12.857 ( 0.000 1.764 15.469) 15.569 13.099 ( 0.000 2.128 -1.525) 2.618 13.151 ( 0.000 -0.456 12.193) 12.201 13.256 ( 0.000 -3.193 -5.459) 6.324 13.383 ( 0.000 2.640 2.917) 3.934 13.418 ( 0.000 5.707 3.447) 6.667 13.446 ( 0.000 -0.385 -7.679) 7.688 13.599 ( 0.000 -4.172 -10.436) 11.239 13.874 ( 0.000 4.691 -0.798) 4.758 14.036 ( 0.000 -10.637 8.184) 13.421 14.091 ( 0.000 1.538 4.224) 4.496 14.153 ( 0.000 -0.564 7.075) 7.098 14.206 ( 0.000 -3.895 -2.630) 4.700 14.319 ( 0.000 2.269 1.769) 2.877 14.374 ( 0.000 0.103 4.281) 4.282 14.401 ( 0.000 -4.770 7.066) 8.526 14.405 ( 0.000 1.265 0.498) 1.359 14.531 ( 0.000 -0.407 11.175) 11.182 14.603 ( 0.000 0.370 -2.558) 2.584 14.632 ( 0.000 -0.994 -1.516) 1.812 14.822 ( 0.000 5.292 1.926) 5.632 15.086 ( 0.000 -8.649 1.864) 8.848 15.499 ( 0.000 -48.903 31.015) 57.909 15.591 ( 0.000 -1.966 1.805) 2.669 15.658 ( 0.000 -1.275 2.380) 2.700 15.890 ( 0.000 8.987 -5.504) 10.539 15.943 ( 0.000 2.163 -11.753) 11.951 16.250 ( 0.000 -6.568 -16.945) 18.174 16.342 ( 0.000 -18.948 -4.709) 19.524 16.465 ( 0.000 4.473 -15.976) 16.591 16.799 ( 0.000 -10.390 -16.990) 19.916 17.173 ( 0.000 -5.470 -1.634) 5.709 17.216 ( 0.000 -15.563 14.823) 21.493 17.457 ( 0.000 5.848 -3.268) 6.699 17.504 ( 0.000 8.639 -11.134) 14.092 17.798 ( 0.000 7.004 2.252) 7.357 18.330 ( 0.000 -3.930 -7.229) 8.228 18.415 ( 0.000 5.100 1.203) 5.240 18.832 ( 0.000 -13.890 -10.955) 17.690 19.410 ( 0.000 8.896 -0.638) 8.919 19.684 ( 0.000 -5.347 6.191) 8.180 19.876 ( 0.000 9.104 4.979) 10.376 20.113 ( 0.000 -3.988 2.985) 4.982 21.020 ( 0.000 5.040 -11.172) 12.257 21.069 ( 0.000 17.498 -10.364) 20.337 21.690 ( 0.000 7.965 -18.813) 20.429 21.887 ( 0.000 2.867 -3.063) 4.196 21.945 ( 0.000 4.536 -12.148) 12.968 21.982 ( 0.000 -1.430 -5.063) 5.261 22.081 ( 0.000 1.325 -13.651) 13.715 22.208 ( 0.000 -3.941 -2.589) 4.715 22.440 ( 0.000 1.867 10.190) 10.359 22.544 ( 0.000 -1.976 11.824) 11.988 22.853 ( 0.000 0.960 -9.124) 9.174 22.903 ( 0.000 -0.776 -10.098) 10.127 23.570 ( 0.000 0.280 -11.774) 11.778 23.675 ( 0.000 -3.548 -6.147) 7.098 ======================= Grid point 34 (16/36) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.549 6.881 23.221) 24.353 1.539 ( -15.987 2.991 9.258) 18.715 1.557 ( 7.224 12.995 20.484) 25.311 1.800 ( -11.794 8.716 14.105) 20.348 2.180 ( 2.040 -6.437 6.796) 9.580 2.223 ( -1.696 -6.930 12.702) 14.569 2.436 ( 0.235 -11.153 13.570) 17.566 2.452 ( -0.360 -0.935 11.811) 11.853 2.593 ( 3.013 -2.829 4.488) 6.101 2.636 ( 11.885 3.318 9.807) 15.762 2.667 ( -1.046 -2.269 5.446) 5.991 2.786 ( 0.424 4.021 2.373) 4.688 2.855 ( 2.600 3.382 8.707) 9.696 2.927 ( -1.367 3.028 5.443) 6.377 3.006 ( 1.331 -12.801 3.105) 13.239 3.055 ( -2.085 -6.439 2.062) 7.075 3.124 ( -0.016 -5.987 -0.102) 5.987 3.149 ( -0.999 -6.811 1.777) 7.110 3.274 ( -0.029 -1.253 6.765) 6.880 3.288 ( -0.267 -3.678 6.541) 7.509 3.348 ( 5.202 -1.968 2.198) 5.980 3.452 ( -3.228 -5.307 0.662) 6.247 3.631 ( 2.874 -0.597 5.636) 6.354 3.675 ( 0.392 -0.661 6.124) 6.172 3.802 ( 3.266 5.183 3.522) 7.066 3.825 ( 2.293 4.229 5.609) 7.390 3.893 ( -0.593 4.584 2.146) 5.096 3.906 ( -0.098 1.852 -2.542) 3.147 3.910 ( 0.330 0.939 2.887) 3.054 3.988 ( -4.206 1.203 2.331) 4.957 4.132 ( 4.870 0.664 5.685) 7.515 4.233 ( 2.545 0.905 0.347) 2.724 4.277 ( 5.970 0.346 12.699) 14.037 4.415 ( -1.731 -4.004 10.162) 11.059 4.508 ( 0.130 2.217 1.680) 2.785 4.550 ( -1.674 1.867 -0.331) 2.529 4.599 ( -2.038 -3.374 3.008) 4.958 4.634 ( -7.334 -0.581 1.809) 7.577 4.717 ( -0.230 -2.975 5.351) 6.127 4.770 ( -2.519 -6.326 6.561) 9.456 4.860 ( 2.268 1.338 4.125) 4.894 4.952 ( -5.018 3.180 6.499) 8.805 5.029 ( 0.185 1.700 -8.338) 8.511 5.064 ( -1.829 4.326 -9.489) 10.588 5.189 ( 1.104 3.873 3.500) 5.335 5.211 ( 0.057 2.308 3.998) 4.617 5.252 ( 7.287 1.812 0.278) 7.514 5.382 ( -3.143 2.582 3.347) 5.268 5.471 ( 4.167 -1.532 3.114) 5.423 5.517 ( -0.585 -0.990 1.160) 1.633 5.564 ( 4.087 1.222 3.944) 5.810 5.633 ( 2.270 0.687 5.004) 5.537 5.655 ( -4.533 0.598 4.650) 6.521 5.725 ( -4.004 1.352 9.715) 10.594 5.793 ( 0.920 -1.445 -6.127) 6.362 5.843 ( -2.349 0.452 -7.476) 7.849 5.894 ( -2.520 0.158 -6.263) 6.752 5.900 ( -3.662 1.947 -5.514) 6.900 5.976 ( 6.764 -1.650 -2.559) 7.418 6.126 ( -3.215 -4.341 -2.404) 5.913 6.198 ( 2.247 0.744 -5.594) 6.075 6.229 ( -2.914 -0.717 -3.441) 4.566 6.362 ( 6.143 2.171 -0.424) 6.529 6.511 ( -5.147 -0.585 0.727) 5.231 6.573 ( 8.568 -3.852 5.577) 10.925 6.702 ( 4.712 1.302 2.763) 5.615 6.799 ( 1.500 0.086 5.897) 6.085 6.820 ( -6.119 0.577 4.267) 7.483 6.885 ( -2.871 0.773 3.903) 4.906 6.899 ( 2.968 -0.266 3.982) 4.973 6.912 ( -0.278 2.905 5.179) 5.945 7.037 ( -1.473 0.260 1.753) 2.304 7.040 ( -1.211 1.241 3.915) 4.282 7.111 ( -2.907 4.891 1.903) 5.999 7.226 ( -1.149 1.272 -4.879) 5.171 7.263 ( -4.955 -2.859 -4.240) 7.121 7.365 ( 4.189 0.268 8.340) 9.337 7.471 ( -3.887 -4.890 4.954) 7.972 7.516 ( 8.382 5.382 -0.227) 9.964 7.624 ( 2.876 0.475 5.564) 6.282 7.692 ( 0.845 3.896 0.720) 4.051 7.736 ( -4.743 2.703 5.068) 7.449 7.781 ( -5.529 1.076 3.082) 6.421 7.804 ( -5.315 0.824 2.210) 5.815 7.931 ( 3.600 -4.214 -3.296) 6.448 7.947 ( 2.165 -2.260 -2.671) 4.114 8.051 ( 2.747 -0.973 -3.262) 4.374 8.123 ( -2.324 -2.530 -4.804) 5.906 8.261 ( 5.073 2.087 0.842) 5.549 8.327 ( -1.323 -1.420 -0.521) 2.010 8.400 ( -0.364 0.742 -7.040) 7.089 8.427 ( -2.066 0.659 -6.513) 6.865 8.544 ( 2.243 1.274 -0.465) 2.621 8.596 ( -2.040 -0.540 0.895) 2.292 8.753 ( 1.703 -0.651 6.232) 6.493 8.793 ( -1.289 -1.642 6.478) 6.806 9.124 ( 0.803 -0.389 -13.294) 13.324 9.175 ( -2.906 -1.309 -11.099) 11.548 9.334 ( 5.025 0.292 1.839) 5.359 9.430 ( -2.404 -2.410 2.824) 4.423 9.566 ( 1.853 0.432 -5.023) 5.371 9.616 ( -0.872 1.598 -4.923) 5.249 9.841 ( 1.811 1.260 3.597) 4.219 9.888 ( -1.716 -0.579 4.416) 4.773 10.067 ( 2.186 1.475 -0.926) 2.795 10.124 ( -2.214 -0.574 -3.100) 3.852 10.256 ( 1.337 -0.268 -10.681) 10.768 10.322 ( -3.693 -2.167 -11.844) 12.594 10.387 ( 3.146 2.815 -5.214) 6.708 10.444 ( -1.179 1.206 -7.215) 7.410 11.103 ( 1.408 0.210 -4.559) 4.776 11.139 ( -1.371 -0.874 -5.334) 5.577 11.358 ( 2.105 0.959 -8.755) 9.055 11.406 ( -1.734 -0.853 -8.793) 9.003 11.502 ( 0.680 -0.130 8.140) 8.169 11.513 ( -0.332 -0.669 7.415) 7.452 11.548 ( 1.795 0.972 -9.613) 9.828 11.599 ( -2.094 -0.864 -9.239) 9.512 12.390 ( 4.972 3.719 31.672) 32.275 12.488 ( -2.599 -1.244 7.578) 8.107 12.536 ( 1.337 1.329 3.711) 4.162 12.559 ( -0.570 1.325 11.724) 11.813 12.781 ( 3.639 4.343 26.061) 26.670 12.838 ( -1.320 0.843 16.393) 16.468 13.119 ( 1.420 -0.399 10.615) 10.717 13.157 ( 0.989 2.959 3.123) 4.415 13.260 ( 1.326 -0.431 2.106) 2.526 13.350 ( -2.744 3.010 1.729) 4.425 13.431 ( 2.723 1.729 8.817) 9.388 13.501 ( 3.598 1.240 -6.375) 7.424 13.550 ( -3.807 -1.567 -4.997) 6.474 13.769 ( -22.927 -7.064 25.828) 35.251 13.934 ( 4.371 0.100 -0.123) 4.374 14.053 ( -5.522 -1.806 1.120) 5.917 14.145 ( 0.679 -1.950 5.224) 5.617 14.164 ( 0.224 -0.670 6.943) 6.979 14.271 ( -1.266 2.544 2.500) 3.784 14.288 ( -2.528 1.531 0.829) 3.070 14.418 ( 2.263 -0.215 2.506) 3.384 14.482 ( -2.784 1.476 0.543) 3.198 14.529 ( 2.144 1.599 6.534) 7.060 14.574 ( 1.485 0.183 7.910) 8.050 14.705 ( 0.150 -1.976 5.254) 5.615 14.818 ( -14.329 -5.720 27.071) 31.159 14.899 ( 7.392 0.284 -1.267) 7.505 15.085 ( -8.312 -4.795 0.951) 9.643 15.632 ( 3.149 -9.923 -2.462) 10.698 15.746 ( -5.938 -3.130 -8.464) 10.802 15.814 ( 3.379 -2.575 -1.637) 4.553 15.916 ( -4.789 2.350 -7.395) 9.118 16.309 ( 4.761 -10.864 -13.644) 18.079 16.370 ( 0.087 -14.274 -14.817) 20.575 16.624 ( 9.245 2.436 -17.929) 20.319 16.802 ( -4.358 -1.502 -19.044) 19.594 17.172 ( 2.730 -3.210 -4.401) 6.093 17.274 ( -5.892 1.551 -4.574) 7.618 17.561 ( 11.096 3.462 3.397) 12.110 17.715 ( -2.286 6.766 -0.750) 7.182 17.936 ( 23.101 -15.670 -0.229) 27.915 18.268 ( -5.235 0.155 -3.816) 6.480 18.415 ( 1.431 -7.574 -4.674) 9.015 18.639 ( -15.260 -13.868 -7.870) 22.071 19.352 ( 4.918 5.936 1.646) 7.882 19.578 ( -12.680 9.280 3.226) 16.041 20.091 ( 17.589 -2.908 5.054) 18.530 20.308 ( 2.752 -7.333 5.545) 9.596 20.927 ( 4.820 8.368 -13.189) 16.347 21.188 ( -6.673 -3.354 -12.421) 14.493 21.521 ( 0.643 15.125 -16.637) 22.494 21.723 ( -10.029 9.308 -14.449) 19.900 21.971 ( 1.606 -0.492 -4.547) 4.848 22.026 ( -1.748 -1.686 -5.161) 5.704 22.190 ( 6.312 4.639 -8.315) 11.424 22.245 ( 1.382 2.118 -6.608) 7.075 22.461 ( 1.713 0.746 11.094) 11.250 22.515 ( -2.111 -1.004 11.881) 12.109 22.827 ( -0.366 0.965 -9.594) 9.649 22.866 ( -2.734 -0.571 -10.405) 10.773 23.621 ( 3.114 -1.235 -10.347) 10.876 23.668 ( -0.918 -2.848 -7.561) 8.132 ======================= Grid point 36 (17/36) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 -0.000 14.820) 14.820 1.708 ( 0.000 0.000 14.820) 14.820 1.887 ( 0.000 -1.773 10.214) 10.366 1.887 ( 0.000 1.773 10.214) 10.366 2.096 ( 0.000 -3.713 4.677) 5.972 2.096 ( 0.000 3.713 4.677) 5.972 2.315 ( 0.000 -10.019 11.142) 14.984 2.315 ( 0.000 10.019 11.142) 14.984 2.567 ( 0.000 -6.084 6.645) 9.010 2.567 ( 0.000 6.084 6.645) 9.010 2.775 ( 0.000 -13.879 10.916) 17.658 2.775 ( 0.000 13.879 10.916) 17.658 2.836 ( 0.000 -6.808 5.239) 8.591 2.836 ( 0.000 6.808 5.239) 8.591 2.969 ( 0.000 -6.324 1.062) 6.413 2.969 ( 0.000 6.324 1.062) 6.413 3.056 ( 0.000 -0.869 4.458) 4.542 3.056 ( 0.000 0.869 4.458) 4.542 3.162 ( 0.000 -11.715 12.009) 16.776 3.162 ( 0.000 11.715 12.009) 16.776 3.381 ( 0.000 -5.228 -0.493) 5.251 3.381 ( 0.000 5.228 -0.493) 5.251 3.615 ( 0.000 -1.781 9.457) 9.623 3.615 ( 0.000 1.781 9.457) 9.623 3.795 ( 0.000 -1.530 2.931) 3.306 3.795 ( 0.000 1.530 2.931) 3.306 3.923 ( 0.000 -0.004 2.781) 2.781 3.923 ( 0.000 0.004 2.781) 2.781 3.977 ( 0.000 -3.908 1.993) 4.387 3.977 ( 0.000 3.908 1.993) 4.387 4.192 ( 0.000 -0.070 0.768) 0.771 4.192 ( 0.000 0.070 0.768) 0.771 4.274 ( 0.000 -6.190 17.204) 18.283 4.274 ( 0.000 6.190 17.204) 18.283 4.537 ( 0.000 -2.704 -1.914) 3.312 4.537 ( 0.000 2.704 -1.914) 3.312 4.660 ( 0.000 -5.957 1.883) 6.247 4.660 ( 0.000 5.957 1.883) 6.247 4.771 ( 0.000 -0.507 5.608) 5.630 4.771 ( 0.000 0.507 5.608) 5.630 4.933 ( 0.000 -2.605 3.076) 4.031 4.933 ( 0.000 2.605 3.076) 4.031 5.111 ( 0.000 -0.819 -1.142) 1.406 5.111 ( 0.000 0.819 -1.142) 1.406 5.214 ( 0.000 -1.011 -0.855) 1.324 5.214 ( 0.000 1.011 -0.855) 1.324 5.280 ( 0.000 -5.487 -3.148) 6.326 5.280 ( 0.000 5.487 -3.148) 6.326 5.512 ( 0.000 -2.126 5.062) 5.490 5.512 ( 0.000 2.126 5.062) 5.490 5.537 ( 0.000 -2.266 3.033) 3.786 5.537 ( 0.000 2.266 3.033) 3.786 5.765 ( 0.000 -1.037 1.124) 1.530 5.765 ( 0.000 1.037 1.124) 1.530 5.795 ( 0.000 -3.143 -5.239) 6.109 5.795 ( 0.000 3.143 -5.239) 6.109 5.942 ( 0.000 -1.815 -0.400) 1.858 5.942 ( 0.000 1.815 -0.400) 1.858 6.088 ( 0.000 -1.494 -5.209) 5.419 6.088 ( 0.000 1.494 -5.209) 5.419 6.195 ( 0.000 -6.183 -3.369) 7.041 6.195 ( 0.000 6.183 -3.369) 7.041 6.361 ( 0.000 -2.524 2.145) 3.312 6.361 ( 0.000 2.524 2.145) 3.312 6.579 ( 0.000 -0.960 4.092) 4.203 6.579 ( 0.000 0.960 4.092) 4.203 6.811 ( 0.000 -2.536 5.958) 6.476 6.811 ( 0.000 2.536 5.958) 6.476 6.894 ( 0.000 -0.214 -0.236) 0.319 6.894 ( 0.000 0.214 -0.236) 0.319 7.026 ( 0.000 -3.328 6.972) 7.726 7.026 ( 0.000 3.328 6.972) 7.726 7.149 ( 0.000 -2.141 -0.420) 2.182 7.149 ( 0.000 2.141 -0.420) 2.182 7.331 ( 0.000 -0.865 2.720) 2.854 7.331 ( 0.000 0.865 2.720) 2.854 7.425 ( 0.000 -7.594 0.918) 7.650 7.425 ( 0.000 7.594 0.918) 7.650 7.513 ( 0.000 -2.943 -5.189) 5.966 7.513 ( 0.000 2.943 -5.189) 5.966 7.749 ( 0.000 -2.531 3.818) 4.581 7.749 ( 0.000 2.531 3.818) 4.581 7.787 ( 0.000 -0.450 3.874) 3.900 7.787 ( 0.000 0.450 3.874) 3.900 7.964 ( 0.000 -1.045 -0.956) 1.416 7.964 ( 0.000 1.045 -0.956) 1.416 8.055 ( 0.000 -0.386 -2.031) 2.068 8.055 ( 0.000 0.386 -2.031) 2.068 8.261 ( 0.000 -3.656 -0.154) 3.659 8.261 ( 0.000 3.656 -0.154) 3.659 8.438 ( 0.000 -1.105 -7.488) 7.569 8.438 ( 0.000 1.105 -7.488) 7.569 8.565 ( 0.000 -2.927 1.477) 3.278 8.565 ( 0.000 2.927 1.477) 3.278 8.751 ( 0.000 -1.743 6.051) 6.297 8.751 ( 0.000 1.743 6.051) 6.297 9.181 ( 0.000 -1.907 -14.934) 15.056 9.181 ( 0.000 1.907 -14.934) 15.056 9.307 ( 0.000 -4.322 8.251) 9.315 9.307 ( 0.000 4.322 8.251) 9.315 9.605 ( 0.000 -0.016 -6.288) 6.288 9.605 ( 0.000 0.016 -6.288) 6.288 9.865 ( 0.000 -2.108 4.914) 5.347 9.865 ( 0.000 2.108 4.914) 5.347 10.105 ( 0.000 -2.689 -4.086) 4.892 10.105 ( 0.000 2.689 -4.086) 4.892 10.317 ( 0.000 -2.321 -13.041) 13.246 10.317 ( 0.000 2.321 -13.041) 13.246 10.405 ( 0.000 -1.722 -4.911) 5.204 10.405 ( 0.000 1.722 -4.911) 5.204 11.118 ( 0.000 -1.701 -6.009) 6.245 11.118 ( 0.000 1.701 -6.009) 6.245 11.377 ( 0.000 -2.448 -7.954) 8.322 11.377 ( 0.000 2.448 -7.954) 8.322 11.497 ( 0.000 -0.675 7.605) 7.635 11.497 ( 0.000 0.675 7.605) 7.635 11.583 ( 0.000 -2.334 -9.851) 10.124 11.583 ( 0.000 2.334 -9.851) 10.124 12.502 ( 0.000 -1.347 6.923) 7.053 12.502 ( 0.000 1.347 6.923) 7.053 12.540 ( 0.000 -2.228 14.847) 15.013 12.540 ( 0.000 2.228 14.847) 15.013 12.880 ( 0.000 -1.841 20.510) 20.592 12.880 ( 0.000 1.841 20.510) 20.592 13.165 ( 0.000 -5.267 -0.925) 5.348 13.165 ( 0.000 5.267 -0.925) 5.348 13.375 ( 0.000 -19.710 12.856) 23.532 13.375 ( 0.000 19.710 12.856) 23.532 13.424 ( 0.000 -2.431 1.561) 2.889 13.424 ( 0.000 2.431 1.561) 2.889 13.609 ( 0.000 -15.447 16.783) 22.809 13.609 ( 0.000 15.447 16.783) 22.809 14.011 ( 0.000 -8.092 2.330) 8.421 14.011 ( 0.000 8.092 2.330) 8.421 14.132 ( 0.000 -1.838 4.346) 4.719 14.132 ( 0.000 1.838 4.346) 4.719 14.358 ( 0.000 -0.675 3.140) 3.212 14.358 ( 0.000 0.675 3.140) 3.212 14.395 ( 0.000 -0.914 4.272) 4.369 14.395 ( 0.000 0.914 4.272) 4.369 14.592 ( 0.000 -2.090 7.060) 7.363 14.592 ( 0.000 2.090 7.060) 7.363 14.687 ( 0.000 -12.649 12.947) 18.100 14.687 ( 0.000 12.649 12.947) 18.100 14.959 ( 0.000 -7.689 1.528) 7.839 14.959 ( 0.000 7.689 1.528) 7.839 15.599 ( 0.000 -1.481 1.213) 1.914 15.599 ( 0.000 1.481 1.213) 1.914 16.058 ( 0.000 -1.523 -4.054) 4.331 16.058 ( 0.000 1.523 -4.054) 4.331 16.116 ( 0.000 -1.179 -16.396) 16.438 16.116 ( 0.000 1.179 -16.396) 16.438 16.591 ( 0.000 -6.945 -17.893) 19.193 16.591 ( 0.000 6.945 -17.893) 19.193 17.101 ( 0.000 -0.213 1.955) 1.967 17.101 ( 0.000 0.213 1.955) 1.967 17.553 ( 0.000 -1.224 -5.272) 5.412 17.553 ( 0.000 1.224 -5.272) 5.412 18.117 ( 0.000 -16.253 -5.323) 17.103 18.117 ( 0.000 16.253 -5.323) 17.103 18.555 ( 0.000 -7.752 -1.914) 7.985 18.555 ( 0.000 7.752 -1.914) 7.985 19.550 ( 0.000 -3.505 3.118) 4.691 19.550 ( 0.000 3.505 3.118) 4.691 20.016 ( 0.000 -3.011 6.018) 6.729 20.016 ( 0.000 3.011 6.018) 6.729 21.142 ( 0.000 -4.178 -12.899) 13.559 21.142 ( 0.000 4.178 -12.899) 13.559 21.936 ( 0.000 -1.927 -2.689) 3.308 21.936 ( 0.000 1.927 -2.689) 3.308 21.970 ( 0.000 -7.837 -24.823) 26.031 21.970 ( 0.000 7.837 -24.823) 26.031 22.096 ( 0.000 -1.431 -3.971) 4.221 22.096 ( 0.000 1.431 -3.971) 4.221 22.492 ( 0.000 -2.606 10.787) 11.097 22.492 ( 0.000 2.606 10.787) 11.097 22.879 ( 0.000 -1.292 -9.524) 9.611 22.879 ( 0.000 1.292 -9.524) 9.611 23.600 ( 0.000 -2.719 -8.599) 9.019 23.600 ( 0.000 2.719 -8.599) 9.019 ======================= Grid point 38 (18/36) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -7.727 -0.000 11.082) 13.510 1.541 ( -10.176 0.000 15.421) 18.476 1.829 ( 4.934 0.000 11.676) 12.676 1.961 ( -6.128 0.000 7.911) 10.007 2.112 ( 4.014 0.000 12.377) 13.012 2.118 ( -0.531 -0.000 11.144) 11.157 2.147 ( -2.552 0.000 14.556) 14.778 2.263 ( -7.325 -0.000 11.536) 13.665 2.640 ( 6.038 0.000 1.854) 6.316 2.721 ( 3.857 -0.000 8.066) 8.941 2.765 ( 1.433 0.000 -2.182) 2.610 2.799 ( 2.971 0.000 4.009) 4.990 2.876 ( -3.424 -0.000 1.745) 3.843 2.908 ( -0.501 -0.000 4.576) 4.603 2.926 ( 4.216 -0.000 7.318) 8.446 2.927 ( -1.732 0.000 11.027) 11.162 3.060 ( 4.187 0.000 3.197) 5.268 3.118 ( 0.630 0.000 4.102) 4.150 3.168 ( -1.017 0.000 1.569) 1.870 3.169 ( -0.906 -0.000 10.827) 10.864 3.391 ( 0.709 -2.695 2.462) 3.719 3.391 ( 0.707 2.695 2.591) 3.805 3.636 ( 1.216 0.000 9.639) 9.716 3.639 ( 1.482 -0.000 9.696) 9.808 3.866 ( 5.107 0.000 2.790) 5.819 3.871 ( 3.370 0.000 5.093) 6.107 3.914 ( -0.464 0.000 3.671) 3.700 3.927 ( 1.362 0.000 0.295) 1.394 3.968 ( -0.537 0.000 3.762) 3.800 3.977 ( -1.630 -0.000 0.897) 1.860 4.159 ( 0.582 0.000 12.427) 12.441 4.250 ( 0.500 0.000 4.615) 4.642 4.295 ( 3.041 0.000 19.109) 19.349 4.345 ( 3.731 0.000 5.986) 7.053 4.545 ( 1.132 -0.000 2.377) 2.633 4.547 ( -1.108 0.000 -5.539) 5.649 4.621 ( -1.618 -0.000 2.108) 2.657 4.636 ( -2.496 0.000 3.957) 4.678 4.644 ( -5.607 0.000 2.880) 6.304 4.684 ( -5.186 0.000 2.988) 5.985 4.879 ( 2.013 0.000 3.437) 3.983 4.986 ( -6.116 0.000 6.833) 9.171 5.060 ( 2.947 0.000 -4.669) 5.521 5.105 ( -1.634 0.000 -6.910) 7.100 5.230 ( 0.414 0.000 2.680) 2.712 5.232 ( -0.274 0.000 -2.561) 2.576 5.295 ( 5.965 0.000 -1.977) 6.284 5.433 ( 0.499 0.000 -1.754) 1.823 5.451 ( -0.655 0.000 4.188) 4.239 5.481 ( -0.061 -0.000 7.807) 7.807 5.584 ( 4.532 0.000 3.976) 6.029 5.629 ( 4.717 0.000 2.670) 5.420 5.677 ( -3.347 -0.000 3.381) 4.757 5.746 ( -4.481 0.000 6.677) 8.041 5.768 ( 0.727 0.000 -9.044) 9.073 5.813 ( -2.931 0.000 -6.659) 7.276 5.922 ( 1.030 0.000 -0.640) 1.212 5.928 ( -2.376 0.000 -1.455) 2.786 5.990 ( -1.609 -0.000 -9.143) 9.283 6.050 ( -3.598 0.000 -2.485) 4.373 6.195 ( 0.871 0.000 -5.547) 5.615 6.216 ( -0.433 -0.000 -3.687) 3.712 6.399 ( 4.841 0.000 -1.934) 5.213 6.509 ( -3.506 0.000 -0.270) 3.516 6.522 ( 9.063 0.000 6.738) 11.293 6.719 ( 2.993 0.000 6.847) 7.472 6.793 ( 2.089 0.000 1.988) 2.884 6.807 ( -4.874 0.000 8.260) 9.591 6.903 ( 1.993 0.000 1.445) 2.462 6.911 ( 0.347 0.000 2.777) 2.799 6.958 ( 0.334 0.000 4.990) 5.001 7.015 ( -2.881 -0.000 4.749) 5.555 7.094 ( -0.843 0.000 -1.857) 2.039 7.127 ( -3.424 0.000 -1.118) 3.602 7.235 ( -1.785 0.000 -6.722) 6.955 7.293 ( -5.841 0.000 0.173) 5.844 7.368 ( -1.726 -0.000 8.133) 8.314 7.382 ( -1.822 0.000 9.043) 9.224 7.603 ( 7.830 0.000 -1.293) 7.936 7.633 ( 4.931 0.000 4.476) 6.660 7.746 ( 2.313 0.000 0.170) 2.319 7.762 ( -5.842 0.000 6.920) 9.056 7.801 ( 0.391 0.000 6.869) 6.880 7.809 ( -3.756 0.000 0.117) 3.758 7.864 ( -0.183 0.000 -2.267) 2.275 7.913 ( 0.453 0.000 -7.074) 7.089 8.042 ( 1.287 0.000 -2.207) 2.555 8.085 ( -2.850 0.000 -3.974) 4.891 8.289 ( 3.081 -0.000 0.703) 3.160 8.309 ( 1.147 0.000 -2.166) 2.451 8.412 ( -0.609 0.000 -8.958) 8.978 8.429 ( -1.330 0.000 -6.128) 6.271 8.572 ( 0.710 -0.000 1.010) 1.235 8.578 ( 0.352 0.000 1.136) 1.190 8.745 ( 0.937 0.000 5.609) 5.687 8.770 ( -0.392 0.000 6.304) 6.316 9.127 ( -1.159 -0.000 -9.585) 9.654 9.144 ( -2.328 0.000 -7.532) 7.884 9.342 ( 3.739 0.000 -1.793) 4.147 9.398 ( 0.715 0.000 1.302) 1.485 9.572 ( 1.981 0.000 -4.883) 5.269 9.635 ( -1.100 0.000 -4.764) 4.889 9.866 ( 0.427 0.000 4.576) 4.596 9.871 ( 0.129 0.000 3.904) 3.906 10.098 ( -0.094 -0.000 -2.411) 2.413 10.106 ( -0.511 0.000 -2.285) 2.341 10.260 ( -0.828 0.000 -9.389) 9.425 10.290 ( -2.733 -0.000 -11.511) 11.831 10.428 ( 2.378 0.000 -7.076) 7.464 10.452 ( 0.705 0.000 -8.591) 8.620 11.110 ( 0.236 0.000 -5.070) 5.076 11.123 ( -0.448 0.000 -5.411) 5.429 11.382 ( 0.330 0.000 -8.111) 8.118 11.382 ( 0.325 -0.000 -8.838) 8.844 11.501 ( 0.309 0.000 7.415) 7.421 11.503 ( 0.144 0.000 8.223) 8.225 11.570 ( -0.314 0.000 -9.097) 9.103 11.578 ( -0.695 0.000 -9.746) 9.771 12.454 ( -1.784 0.000 12.610) 12.736 12.459 ( -2.757 -0.000 17.189) 17.409 12.551 ( 1.933 0.000 9.370) 9.567 12.576 ( 0.100 0.000 10.881) 10.882 12.840 ( -0.772 0.000 18.433) 18.449 12.862 ( -2.025 0.000 17.255) 17.373 13.182 ( 1.010 0.000 3.633) 3.770 13.190 ( 1.016 -0.000 3.397) 3.545 13.305 ( -1.778 -0.000 13.763) 13.877 13.334 ( -3.282 0.000 9.858) 10.390 13.454 ( 3.110 0.000 7.338) 7.969 13.504 ( 1.508 0.000 22.868) 22.917 13.544 ( -0.901 0.000 -3.375) 3.493 13.603 ( -2.560 -0.000 13.787) 14.023 13.961 ( -1.198 0.000 1.578) 1.981 13.988 ( -2.908 0.000 2.748) 4.001 14.137 ( 1.227 0.000 5.900) 6.027 14.152 ( 0.293 0.000 5.414) 5.422 14.307 ( -1.290 -0.000 -0.297) 1.323 14.307 ( -1.369 0.000 1.198) 1.819 14.418 ( 2.852 0.000 1.620) 3.280 14.505 ( -4.350 0.000 -1.724) 4.679 14.567 ( 4.976 0.000 4.039) 6.409 14.591 ( -0.228 0.000 16.244) 16.246 14.650 ( 0.994 -0.000 27.190) 27.208 14.730 ( -1.287 0.000 6.480) 6.607 14.917 ( -0.405 0.000 2.882) 2.910 14.952 ( -1.819 0.000 -1.364) 2.274 15.521 ( 1.469 0.000 -4.793) 5.013 15.674 ( -10.818 0.000 -3.363) 11.329 15.809 ( 4.279 0.000 -6.447) 7.737 15.938 ( -5.527 0.000 -5.221) 7.603 16.176 ( 3.793 0.000 -13.569) 14.089 16.225 ( -0.530 -0.000 -16.649) 16.657 16.653 ( 7.768 0.000 -18.922) 20.454 16.772 ( -0.088 0.000 -21.787) 21.787 17.133 ( 4.510 0.000 -3.926) 5.979 17.264 ( -3.901 0.000 -1.810) 4.300 17.555 ( 23.518 0.000 2.549) 23.655 17.791 ( 10.014 0.000 -3.146) 10.496 17.993 ( -7.115 0.000 -2.788) 7.641 18.121 ( -17.662 -0.000 1.116) 17.697 18.299 ( 4.127 0.000 -6.315) 7.544 18.539 ( -10.992 0.000 -3.613) 11.571 19.406 ( 6.644 0.000 2.437) 7.077 19.672 ( -13.725 0.000 3.919) 14.273 20.046 ( 17.977 0.000 4.408) 18.510 20.228 ( 3.111 0.000 7.471) 8.093 21.029 ( -1.907 0.000 -12.146) 12.295 21.131 ( -7.795 0.000 -12.687) 14.890 21.719 ( -0.551 0.000 -18.084) 18.092 21.830 ( -6.808 0.000 -14.151) 15.704 21.985 ( -1.126 0.000 -1.931) 2.235 21.987 ( -0.357 -0.000 -7.459) 7.468 22.238 ( 6.859 0.000 -6.034) 9.136 22.286 ( 6.527 -0.000 -17.093) 18.297 22.472 ( -0.220 0.000 11.864) 11.866 22.502 ( -0.381 -0.000 10.497) 10.504 22.849 ( -1.655 0.000 -9.091) 9.240 22.850 ( -1.737 -0.000 -10.632) 10.773 23.614 ( 0.986 0.000 -8.681) 8.736 23.619 ( 0.737 -0.000 -8.887) 8.917 ======================= Grid point 45 (19/36) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 0.000 27.186) 27.186 1.840 ( 0.000 0.000 7.598) 7.598 2.003 ( 0.000 0.000 22.234) 22.234 2.233 ( 0.000 0.000 16.362) 16.362 2.286 ( 0.000 0.000 6.943) 6.943 2.483 ( 0.000 0.000 2.660) 2.660 2.525 ( 0.000 0.000 9.085) 9.085 2.556 ( 0.000 0.000 15.771) 15.771 2.723 ( 0.000 0.000 2.242) 2.242 2.813 ( 0.000 0.000 1.427) 1.427 2.853 ( 0.000 0.000 5.401) 5.401 2.859 ( 0.000 0.000 10.727) 10.727 3.001 ( 0.000 0.000 -8.929) 8.929 3.119 ( 0.000 0.000 -3.645) 3.645 3.218 ( 0.000 0.000 7.000) 7.000 3.228 ( 0.000 0.000 22.722) 22.722 3.247 ( 0.000 0.000 8.170) 8.170 3.292 ( 0.000 0.000 2.060) 2.060 3.347 ( 0.000 0.000 0.008) 0.008 3.408 ( 0.000 0.000 6.250) 6.250 3.506 ( 0.000 0.000 -6.670) 6.670 3.572 ( 0.000 0.000 1.786) 1.786 3.602 ( 0.000 0.000 -0.640) 0.640 3.620 ( 0.000 0.000 1.354) 1.354 3.768 ( 0.000 0.000 5.022) 5.022 3.781 ( 0.000 0.000 -3.414) 3.414 3.798 ( 0.000 0.000 2.497) 2.497 3.837 ( 0.000 0.000 1.899) 1.899 3.909 ( 0.000 0.000 5.776) 5.776 3.963 ( 0.000 0.000 -5.103) 5.103 4.069 ( 0.000 0.000 0.282) 0.282 4.123 ( 0.000 0.000 -0.618) 0.618 4.379 ( 0.000 0.000 -6.522) 6.522 4.403 ( 0.000 0.000 2.833) 2.833 4.496 ( 0.000 0.000 -9.430) 9.430 4.524 ( 0.000 0.000 -2.603) 2.603 4.609 ( 0.000 0.000 -7.243) 7.243 4.797 ( 0.000 0.000 -0.949) 0.949 4.839 ( 0.000 0.000 -3.417) 3.417 4.854 ( 0.000 0.000 3.044) 3.044 4.991 ( 0.000 0.000 -8.604) 8.604 5.003 ( 0.000 0.000 1.999) 1.999 5.108 ( 0.000 0.000 4.578) 4.578 5.187 ( 0.000 0.000 10.832) 10.832 5.188 ( 0.000 0.000 -13.764) 13.764 5.211 ( 0.000 0.000 14.580) 14.580 5.299 ( 0.000 0.000 -12.479) 12.479 5.343 ( 0.000 0.000 14.816) 14.816 5.438 ( 0.000 0.000 8.637) 8.637 5.529 ( 0.000 0.000 4.950) 4.950 5.536 ( 0.000 0.000 3.098) 3.098 5.629 ( 0.000 0.000 12.661) 12.661 5.696 ( 0.000 0.000 5.564) 5.564 5.779 ( 0.000 0.000 -2.213) 2.213 5.849 ( 0.000 0.000 4.719) 4.719 5.920 ( 0.000 0.000 7.586) 7.586 5.923 ( 0.000 0.000 5.079) 5.079 5.985 ( 0.000 0.000 3.926) 3.926 6.006 ( 0.000 0.000 5.154) 5.154 6.211 ( 0.000 0.000 3.558) 3.558 6.275 ( 0.000 0.000 6.002) 6.002 6.307 ( 0.000 0.000 14.111) 14.111 6.504 ( 0.000 0.000 1.290) 1.290 6.531 ( 0.000 0.000 7.035) 7.035 6.617 ( 0.000 0.000 3.590) 3.590 6.634 ( 0.000 0.000 -0.323) 0.323 6.824 ( 0.000 0.000 -1.731) 1.731 6.862 ( 0.000 0.000 -3.984) 3.984 6.911 ( 0.000 0.000 -2.800) 2.800 6.946 ( 0.000 0.000 -1.485) 1.485 6.970 ( 0.000 0.000 9.167) 9.167 6.980 ( 0.000 0.000 -9.180) 9.180 7.064 ( 0.000 0.000 -11.666) 11.666 7.145 ( 0.000 0.000 2.630) 2.630 7.213 ( 0.000 0.000 -5.066) 5.066 7.238 ( 0.000 0.000 4.020) 4.020 7.284 ( 0.000 0.000 6.373) 6.373 7.527 ( 0.000 0.000 5.754) 5.754 7.580 ( 0.000 0.000 4.995) 4.995 7.612 ( 0.000 0.000 -3.811) 3.811 7.619 ( 0.000 0.000 4.825) 4.825 7.740 ( 0.000 0.000 -2.572) 2.572 7.838 ( 0.000 0.000 -4.334) 4.334 7.882 ( 0.000 0.000 -0.994) 0.994 7.889 ( 0.000 0.000 -0.715) 0.715 8.011 ( 0.000 0.000 -9.093) 9.093 8.108 ( 0.000 0.000 6.904) 6.904 8.138 ( 0.000 0.000 7.518) 7.518 8.149 ( 0.000 0.000 5.393) 5.393 8.302 ( 0.000 0.000 -3.689) 3.689 8.313 ( 0.000 0.000 -3.356) 3.356 8.440 ( 0.000 0.000 -0.400) 0.400 8.492 ( 0.000 0.000 1.429) 1.429 8.688 ( 0.000 0.000 1.033) 1.033 8.706 ( 0.000 0.000 -17.859) 17.859 8.864 ( 0.000 0.000 6.563) 6.563 8.979 ( 0.000 0.000 6.273) 6.273 9.065 ( 0.000 0.000 -5.996) 5.996 9.373 ( 0.000 0.000 -11.402) 11.402 9.441 ( 0.000 0.000 12.758) 12.758 9.450 ( 0.000 0.000 -9.574) 9.574 9.644 ( 0.000 0.000 8.340) 8.340 9.769 ( 0.000 0.000 -3.711) 3.711 9.932 ( 0.000 0.000 -5.680) 5.680 9.970 ( 0.000 0.000 -1.505) 1.505 10.002 ( 0.000 0.000 -6.330) 6.330 10.035 ( 0.000 0.000 -5.159) 5.159 10.154 ( 0.000 0.000 -7.253) 7.253 10.327 ( 0.000 0.000 -6.320) 6.320 10.405 ( 0.000 0.000 4.692) 4.692 10.932 ( 0.000 0.000 -7.835) 7.835 10.977 ( 0.000 0.000 -9.888) 9.888 11.107 ( 0.000 0.000 -11.340) 11.340 11.207 ( 0.000 0.000 -14.791) 14.791 11.253 ( 0.000 0.000 -13.598) 13.598 11.395 ( 0.000 0.000 -15.126) 15.126 11.755 ( 0.000 0.000 14.608) 14.608 11.840 ( 0.000 0.000 18.695) 18.695 12.465 ( 0.000 0.000 -1.194) 1.194 12.523 ( 0.000 0.000 0.877) 0.877 12.846 ( 0.000 0.000 20.810) 20.810 12.906 ( 0.000 0.000 -7.636) 7.636 12.916 ( 0.000 0.000 13.702) 13.702 13.017 ( 0.000 0.000 3.477) 3.477 13.096 ( 0.000 0.000 10.842) 10.842 13.188 ( 0.000 0.000 -3.772) 3.772 13.247 ( 0.000 0.000 -13.938) 13.938 13.297 ( 0.000 0.000 2.424) 2.424 13.426 ( 0.000 0.000 -5.522) 5.522 13.505 ( 0.000 0.000 8.520) 8.520 13.752 ( 0.000 0.000 26.606) 26.606 13.770 ( 0.000 0.000 -2.653) 2.653 14.061 ( 0.000 0.000 -10.856) 10.856 14.166 ( 0.000 0.000 4.858) 4.858 14.283 ( 0.000 0.000 6.839) 6.839 14.307 ( 0.000 0.000 0.081) 0.081 14.338 ( 0.000 0.000 8.607) 8.607 14.377 ( 0.000 0.000 -1.062) 1.062 14.460 ( 0.000 0.000 3.139) 3.139 14.530 ( 0.000 0.000 2.886) 2.886 14.543 ( 0.000 0.000 0.097) 0.097 14.657 ( 0.000 0.000 -1.357) 1.357 14.663 ( 0.000 0.000 0.653) 0.653 14.946 ( 0.000 0.000 21.383) 21.383 15.082 ( 0.000 0.000 -6.067) 6.067 15.443 ( 0.000 0.000 -18.795) 18.795 15.529 ( 0.000 0.000 -7.569) 7.569 15.807 ( 0.000 0.000 8.314) 8.314 15.874 ( 0.000 0.000 0.524) 0.524 15.918 ( 0.000 0.000 -10.657) 10.657 16.052 ( 0.000 0.000 -8.214) 8.214 16.231 ( 0.000 0.000 -18.087) 18.087 16.233 ( 0.000 0.000 -4.016) 4.016 17.047 ( 0.000 0.000 0.177) 0.177 17.067 ( 0.000 0.000 -0.670) 0.670 17.235 ( 0.000 0.000 -6.314) 6.314 17.245 ( 0.000 0.000 -0.622) 0.622 17.789 ( 0.000 0.000 4.142) 4.142 18.167 ( 0.000 0.000 -2.850) 2.850 18.201 ( 0.000 0.000 -9.490) 9.490 18.307 ( 0.000 0.000 5.899) 5.899 18.822 ( 0.000 0.000 -1.506) 1.506 19.069 ( 0.000 0.000 -1.930) 1.930 19.812 ( 0.000 0.000 -2.490) 2.490 19.872 ( 0.000 0.000 9.392) 9.392 20.163 ( 0.000 0.000 0.699) 0.699 20.744 ( 0.000 0.000 -11.187) 11.187 20.916 ( 0.000 0.000 10.944) 10.944 21.148 ( 0.000 0.000 -25.771) 25.771 21.697 ( 0.000 0.000 -8.592) 8.592 21.833 ( 0.000 0.000 -10.662) 10.662 21.891 ( 0.000 0.000 4.249) 4.249 21.897 ( 0.000 0.000 -5.846) 5.846 22.241 ( 0.000 0.000 0.712) 0.712 22.619 ( 0.000 0.000 9.189) 9.189 22.633 ( 0.000 0.000 -11.479) 11.479 22.688 ( 0.000 0.000 -11.429) 11.429 22.794 ( 0.000 0.000 10.112) 10.112 23.297 ( 0.000 0.000 -13.472) 13.472 23.560 ( 0.000 0.000 -10.054) 10.054 ======================= Grid point 46 (20/36) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -2.443 0.000 16.448) 16.628 1.844 ( -8.437 0.000 23.862) 25.309 1.890 ( 6.946 0.000 25.079) 26.023 2.091 ( -9.581 0.000 20.400) 22.538 2.367 ( 6.229 0.000 6.008) 8.654 2.500 ( -3.930 0.000 5.934) 7.117 2.560 ( 4.859 0.000 6.012) 7.730 2.624 ( 1.474 0.000 10.224) 10.330 2.758 ( 2.564 0.000 2.753) 3.762 2.804 ( -1.102 0.000 1.492) 1.855 2.833 ( 0.896 0.000 7.325) 7.379 2.892 ( -0.680 0.000 5.992) 6.031 3.030 ( 2.330 0.000 -7.130) 7.501 3.089 ( -2.415 0.000 -4.367) 4.991 3.125 ( -0.471 0.000 16.937) 16.943 3.216 ( -4.853 0.000 9.514) 10.680 3.227 ( 1.898 0.000 5.602) 5.915 3.283 ( -1.978 0.000 3.575) 4.086 3.401 ( 2.439 0.000 -0.700) 2.538 3.451 ( -2.475 0.000 -3.703) 4.454 3.477 ( 5.504 0.000 5.772) 7.975 3.590 ( -3.223 0.000 3.250) 4.578 3.647 ( 3.114 0.000 -0.661) 3.183 3.655 ( 2.892 0.000 1.385) 3.207 3.765 ( 0.312 0.000 5.348) 5.357 3.790 ( -1.148 0.000 3.706) 3.880 3.802 ( 0.648 0.000 -2.389) 2.475 3.843 ( -1.585 0.000 -1.431) 2.136 3.913 ( 1.635 0.000 2.189) 2.733 3.999 ( -4.938 0.000 -0.463) 4.960 4.030 ( 8.264 0.000 -4.049) 9.203 4.177 ( -0.373 0.000 -3.790) 3.808 4.394 ( 2.082 0.000 -4.319) 4.794 4.458 ( -2.855 0.000 -5.983) 6.629 4.472 ( 5.837 0.000 1.130) 5.945 4.539 ( 0.825 0.000 1.335) 1.569 4.674 ( -2.857 0.000 -2.469) 3.776 4.689 ( 5.336 0.000 -8.432) 9.978 4.783 ( -2.070 0.000 -4.978) 5.391 4.856 ( -11.105 0.000 -0.245) 11.108 4.939 ( -2.783 0.000 -0.409) 2.813 4.944 ( -2.808 0.000 -5.611) 6.275 5.072 ( 3.206 0.000 3.973) 5.105 5.136 ( -2.039 0.000 13.675) 13.827 5.236 ( 3.966 0.000 -4.691) 6.143 5.268 ( 2.113 0.000 6.990) 7.303 5.305 ( -0.848 0.000 -0.991) 1.305 5.325 ( -2.815 0.000 6.621) 7.194 5.455 ( 1.534 0.000 6.066) 6.257 5.508 ( -2.767 0.000 5.616) 6.261 5.603 ( 5.199 0.000 0.274) 5.206 5.693 ( 7.037 0.000 12.125) 14.019 5.730 ( -4.255 0.000 -2.166) 4.774 5.779 ( 3.160 0.000 7.121) 7.791 5.867 ( -2.353 0.000 7.841) 8.187 5.895 ( -3.639 0.000 6.063) 7.071 5.904 ( 6.130 0.000 9.023) 10.908 6.076 ( 6.938 0.000 4.568) 8.307 6.076 ( 3.642 0.000 -0.625) 3.695 6.105 ( -6.945 0.000 17.065) 18.424 6.206 ( -5.131 0.000 5.386) 7.439 6.289 ( -10.529 0.000 4.745) 11.549 6.356 ( 5.783 0.000 3.586) 6.805 6.525 ( -7.088 0.000 0.622) 7.115 6.664 ( 2.194 0.000 -1.464) 2.638 6.716 ( 7.016 0.000 2.837) 7.568 6.760 ( -6.172 0.000 -8.597) 10.583 6.812 ( -1.723 0.000 0.943) 1.964 6.901 ( 4.056 0.000 -4.719) 6.222 6.957 ( 1.472 0.000 -2.056) 2.529 7.016 ( -2.627 0.000 -1.581) 3.066 7.033 ( -3.525 0.000 4.243) 5.516 7.046 ( 2.881 0.000 3.254) 4.346 7.082 ( 3.680 0.000 -2.414) 4.401 7.154 ( -1.971 0.000 -6.356) 6.655 7.214 ( -7.052 0.000 7.082) 9.994 7.455 ( 11.511 0.000 -2.674) 11.817 7.535 ( 1.449 0.000 5.839) 6.017 7.582 ( -1.878 0.000 0.913) 2.089 7.649 ( -1.510 0.000 -1.514) 2.138 7.674 ( 6.556 0.000 1.350) 6.694 7.732 ( -0.165 0.000 5.267) 5.269 7.794 ( -3.237 0.000 3.284) 4.611 7.815 ( -4.060 0.000 -1.686) 4.396 7.931 ( 1.586 0.000 -5.956) 6.163 7.980 ( -2.300 0.000 -10.140) 10.398 8.038 ( 0.692 0.000 8.306) 8.335 8.105 ( -3.009 0.000 7.709) 8.275 8.274 ( 5.635 0.000 0.780) 5.689 8.294 ( -0.180 0.000 -2.982) 2.987 8.304 ( -0.779 0.000 -3.083) 3.180 8.387 ( -4.121 0.000 -0.434) 4.143 8.534 ( 3.390 0.000 1.554) 3.729 8.627 ( -4.239 0.000 1.549) 4.513 8.782 ( 6.295 0.000 -14.456) 15.767 8.904 ( 2.620 0.000 6.455) 6.966 8.953 ( -7.755 0.000 -9.143) 11.989 8.958 ( -1.811 0.000 6.365) 6.617 9.422 ( 2.365 0.000 -10.574) 10.835 9.450 ( -0.303 0.000 -10.230) 10.234 9.489 ( 3.791 0.000 10.954) 11.591 9.587 ( -4.224 0.000 8.586) 9.569 9.848 ( 6.260 0.000 -1.027) 6.344 9.962 ( -1.676 0.000 1.706) 2.391 9.967 ( 2.233 0.000 -5.583) 6.013 10.001 ( -0.493 0.000 -6.315) 6.334 10.033 ( 0.101 0.000 -7.041) 7.042 10.081 ( -4.777 0.000 -10.029) 11.109 10.341 ( 1.314 0.000 -3.142) 3.406 10.381 ( -1.812 0.000 2.333) 2.954 10.947 ( 1.121 0.000 -8.628) 8.701 10.970 ( -0.695 0.000 -9.598) 9.623 11.134 ( 2.131 0.000 -11.939) 12.127 11.185 ( -1.963 0.000 -13.320) 13.464 11.288 ( 2.963 0.000 -14.661) 14.958 11.361 ( -2.786 0.000 -15.086) 15.341 11.769 ( 1.337 0.000 15.586) 15.643 11.812 ( -2.071 0.000 17.547) 17.669 12.477 ( 0.989 0.000 -0.741) 1.236 12.505 ( -1.306 0.000 0.232) 1.326 12.864 ( 1.493 0.000 17.124) 17.189 12.901 ( -1.462 0.000 14.710) 14.782 12.975 ( 5.536 0.000 -7.723) 9.502 13.025 ( 2.500 0.000 4.233) 4.916 13.106 ( -3.523 0.000 6.874) 7.724 13.125 ( -6.994 0.000 -8.533) 11.033 13.256 ( 8.257 0.000 1.813) 8.454 13.361 ( 2.611 0.000 -2.579) 3.670 13.407 ( -1.513 0.000 -4.113) 4.382 13.436 ( -6.074 0.000 6.218) 8.692 13.848 ( 5.948 0.000 -5.273) 7.949 13.867 ( 9.409 0.000 22.204) 24.115 13.991 ( -5.553 0.000 -8.671) 10.297 14.114 ( -10.579 0.000 9.444) 14.181 14.203 ( 2.886 0.000 3.110) 4.243 14.293 ( -5.000 0.000 1.495) 5.219 14.340 ( 0.606 0.000 7.469) 7.493 14.352 ( 0.084 0.000 4.879) 4.880 14.468 ( 0.635 0.000 2.009) 2.107 14.491 ( -1.586 0.000 1.313) 2.059 14.560 ( 2.716 0.000 0.822) 2.838 14.627 ( -2.507 0.000 -1.197) 2.778 14.833 ( 9.368 0.000 -2.671) 9.741 15.010 ( -5.846 0.000 -5.716) 8.176 15.076 ( 10.954 0.000 24.510) 26.846 15.383 ( -12.949 0.000 11.133) 17.078 15.526 ( 6.813 0.000 -15.410) 16.849 15.729 ( -10.439 0.000 -10.566) 14.853 15.768 ( 0.957 0.000 7.737) 7.796 15.851 ( -4.474 0.000 7.609) 8.827 16.167 ( 4.529 0.000 -12.801) 13.579 16.224 ( -0.930 0.000 -16.753) 16.779 16.310 ( 8.180 0.000 -9.006) 12.167 16.618 ( -19.584 0.000 -7.050) 20.814 17.123 ( 4.166 0.000 -1.246) 4.349 17.208 ( -2.585 0.000 -4.320) 5.034 17.468 ( 12.039 0.000 3.190) 12.454 17.740 ( -9.406 0.000 3.112) 9.907 18.145 ( -1.046 0.000 -4.803) 4.916 18.159 ( -2.325 0.000 -8.200) 8.523 18.477 ( 13.276 0.000 0.031) 13.276 18.735 ( -7.924 0.000 -1.676) 8.099 19.200 ( 10.335 0.000 -0.532) 10.349 19.487 ( -14.427 0.000 1.873) 14.548 20.213 ( 15.695 0.000 2.626) 15.913 20.474 ( 22.399 0.000 -8.777) 24.057 20.538 ( -12.682 0.000 -1.075) 12.728 20.952 ( -16.568 0.000 -21.130) 26.851 21.124 ( 12.781 0.000 0.901) 12.813 21.442 ( -14.668 0.000 -2.877) 14.947 21.836 ( 2.556 0.000 -8.710) 9.077 21.912 ( -1.902 0.000 -8.048) 8.269 22.068 ( 8.170 0.000 -0.312) 8.176 22.201 ( -3.645 0.000 0.092) 3.646 22.598 ( -0.301 0.000 -11.441) 11.445 22.646 ( -3.137 0.000 -11.509) 11.929 22.666 ( 3.655 0.000 9.663) 10.332 22.753 ( -3.309 0.000 10.060) 10.591 23.396 ( 6.492 0.000 -12.675) 14.241 23.518 ( -3.699 0.000 -10.935) 11.544 ======================= Grid point 48 (21/36) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 4.611 22.307) 22.779 1.871 ( 0.000 2.721 7.640) 8.110 2.040 ( 0.000 3.361 19.847) 20.129 2.179 ( 0.000 -2.202 14.180) 14.350 2.219 ( 0.000 -4.071 6.661) 7.807 2.518 ( 0.000 1.233 8.945) 9.030 2.547 ( 0.000 0.966 6.745) 6.814 2.592 ( 0.000 -13.981 7.023) 15.646 2.681 ( 0.000 8.082 9.237) 12.274 2.760 ( 0.000 3.282 1.906) 3.795 2.837 ( 0.000 -11.640 8.694) 14.528 2.864 ( 0.000 -5.667 -1.810) 5.949 2.877 ( 0.000 -1.387 8.853) 8.961 3.023 ( 0.000 -0.632 -5.929) 5.963 3.046 ( 0.000 -7.543 2.747) 8.028 3.106 ( 0.000 -4.338 0.090) 4.339 3.206 ( 0.000 -10.645 -0.477) 10.655 3.319 ( 0.000 6.682 21.441) 22.458 3.330 ( 0.000 -2.292 5.281) 5.757 3.366 ( 0.000 -11.159 5.684) 12.523 3.480 ( 0.000 -3.442 -0.179) 3.447 3.481 ( 0.000 6.495 6.133) 8.933 3.687 ( 0.000 3.436 0.479) 3.469 3.700 ( 0.000 4.367 3.848) 5.821 3.794 ( 0.000 2.944 0.409) 2.973 3.804 ( 0.000 0.444 0.791) 0.907 3.920 ( 0.000 4.883 -0.923) 4.969 3.921 ( 0.000 2.963 1.648) 3.391 3.984 ( 0.000 1.206 -3.261) 3.477 3.994 ( 0.000 3.332 5.383) 6.331 4.125 ( 0.000 2.680 -0.917) 2.832 4.134 ( 0.000 6.059 2.316) 6.487 4.381 ( 0.000 0.088 -6.051) 6.052 4.388 ( 0.000 -1.371 -3.942) 4.174 4.508 ( 0.000 2.112 -1.228) 2.443 4.546 ( 0.000 2.129 -2.291) 3.128 4.674 ( 0.000 4.752 -6.069) 7.708 4.825 ( 0.000 0.769 0.328) 0.836 4.872 ( 0.000 2.106 1.157) 2.403 4.885 ( 0.000 3.813 -7.825) 8.705 4.985 ( 0.000 -2.432 4.129) 4.792 4.988 ( 0.000 -1.628 -2.464) 2.953 5.044 ( 0.000 -1.989 -3.461) 3.992 5.089 ( 0.000 -3.215 10.189) 10.684 5.136 ( 0.000 -4.257 14.934) 15.529 5.234 ( 0.000 -5.328 -8.236) 9.810 5.321 ( 0.000 4.738 -3.225) 5.731 5.370 ( 0.000 1.148 8.063) 8.144 5.496 ( 0.000 4.343 6.497) 7.815 5.534 ( 0.000 0.284 3.530) 3.541 5.543 ( 0.000 1.128 1.967) 2.268 5.609 ( 0.000 -1.382 10.536) 10.626 5.652 ( 0.000 -2.761 5.635) 6.275 5.735 ( 0.000 -3.825 -3.084) 4.913 5.821 ( 0.000 -1.432 6.898) 7.046 5.888 ( 0.000 -2.797 6.281) 6.875 5.970 ( 0.000 3.318 2.952) 4.441 6.031 ( 0.000 1.686 3.978) 4.320 6.053 ( 0.000 5.186 4.244) 6.702 6.226 ( 0.000 0.341 1.434) 1.474 6.250 ( 0.000 -1.758 8.489) 8.669 6.286 ( 0.000 -1.840 13.347) 13.474 6.440 ( 0.000 -5.171 4.793) 7.051 6.454 ( 0.000 -3.423 0.685) 3.491 6.642 ( 0.000 1.087 4.341) 4.475 6.646 ( 0.000 0.792 2.221) 2.357 6.835 ( 0.000 1.144 -1.612) 1.977 6.867 ( 0.000 0.704 2.818) 2.904 6.903 ( 0.000 -0.911 0.252) 0.946 6.952 ( 0.000 -1.547 0.017) 1.547 6.962 ( 0.000 1.174 -14.047) 14.096 7.053 ( 0.000 3.849 2.639) 4.667 7.075 ( 0.000 2.085 -9.291) 9.522 7.147 ( 0.000 -5.046 -6.392) 8.143 7.195 ( 0.000 3.560 -0.404) 3.583 7.276 ( 0.000 -0.884 4.329) 4.418 7.312 ( 0.000 6.823 5.139) 8.542 7.557 ( 0.000 1.136 9.845) 9.911 7.577 ( 0.000 -1.674 0.163) 1.682 7.589 ( 0.000 0.702 0.297) 0.762 7.643 ( 0.000 1.562 3.402) 3.743 7.784 ( 0.000 -1.826 -5.155) 5.469 7.820 ( 0.000 2.599 -4.056) 4.817 7.826 ( 0.000 -3.546 -1.754) 3.956 7.875 ( 0.000 -0.912 0.547) 1.063 7.991 ( 0.000 -1.535 -6.894) 7.063 8.136 ( 0.000 -0.670 6.983) 7.015 8.138 ( 0.000 -0.095 6.805) 6.806 8.168 ( 0.000 3.973 3.037) 5.001 8.291 ( 0.000 -1.132 -1.802) 2.128 8.324 ( 0.000 1.012 -2.771) 2.950 8.412 ( 0.000 -2.284 -1.005) 2.495 8.520 ( 0.000 2.415 0.830) 2.554 8.659 ( 0.000 -2.576 0.817) 2.702 8.755 ( 0.000 4.162 -13.883) 14.493 8.878 ( 0.000 1.402 4.842) 5.041 8.937 ( 0.000 -3.219 5.351) 6.244 9.030 ( 0.000 -3.450 -6.690) 7.527 9.392 ( 0.000 1.513 -10.621) 10.728 9.433 ( 0.000 -0.184 1.595) 1.605 9.471 ( 0.000 1.418 1.171) 1.839 9.602 ( 0.000 -3.477 8.503) 9.187 9.818 ( 0.000 4.146 -3.207) 5.241 9.948 ( 0.000 1.355 -5.744) 5.902 9.957 ( 0.000 -1.117 -2.315) 2.570 10.014 ( 0.000 0.684 -3.786) 3.848 10.043 ( 0.000 0.531 -5.881) 5.905 10.108 ( 0.000 -3.722 -8.734) 9.494 10.337 ( 0.000 0.983 -4.517) 4.623 10.394 ( 0.000 -0.956 3.139) 3.281 10.933 ( 0.000 0.149 -8.357) 8.358 10.963 ( 0.000 -1.059 -9.721) 9.778 11.128 ( 0.000 1.777 -11.331) 11.470 11.202 ( 0.000 -0.764 -13.357) 13.379 11.270 ( 0.000 1.727 -14.702) 14.803 11.373 ( 0.000 -1.909 -15.214) 15.333 11.760 ( 0.000 0.517 15.238) 15.247 11.819 ( 0.000 -1.705 18.084) 18.164 12.479 ( 0.000 1.143 -0.614) 1.297 12.520 ( 0.000 -0.346 0.731) 0.809 12.866 ( 0.000 1.732 13.541) 13.651 12.915 ( 0.000 -0.177 13.476) 13.477 12.946 ( 0.000 3.043 -2.470) 3.919 13.091 ( 0.000 5.837 0.305) 5.845 13.115 ( 0.000 -1.327 5.101) 5.270 13.135 ( 0.000 -0.426 -0.242) 0.490 13.260 ( 0.000 -0.185 -11.485) 11.486 13.279 ( 0.000 -1.953 2.931) 3.522 13.429 ( 0.000 0.228 -4.453) 4.459 13.465 ( 0.000 -2.290 4.668) 5.200 13.814 ( 0.000 6.104 14.480) 15.714 13.861 ( 0.000 6.799 7.303) 9.978 14.035 ( 0.000 -2.495 -9.204) 9.536 14.187 ( 0.000 2.014 5.302) 5.672 14.222 ( 0.000 -5.453 6.956) 8.839 14.315 ( 0.000 -2.148 7.865) 8.153 14.346 ( 0.000 3.130 0.769) 3.223 14.406 ( 0.000 2.471 -0.162) 2.476 14.450 ( 0.000 -1.135 3.335) 3.523 14.505 ( 0.000 -1.575 3.959) 4.261 14.555 ( 0.000 0.552 -1.303) 1.415 14.605 ( 0.000 -1.971 -1.048) 2.232 14.769 ( 0.000 7.457 1.636) 7.635 14.980 ( 0.000 4.031 20.272) 20.669 15.041 ( 0.000 -3.502 -4.771) 5.919 15.524 ( 0.000 6.831 -11.795) 13.631 15.552 ( 0.000 -1.112 -7.826) 7.905 15.754 ( 0.000 -7.596 -8.423) 11.342 15.791 ( 0.000 -0.985 1.525) 1.815 15.888 ( 0.000 -5.144 4.473) 6.817 16.062 ( 0.000 -0.427 -1.748) 1.800 16.152 ( 0.000 -5.965 -10.834) 12.368 16.212 ( 0.000 -0.209 -7.835) 7.838 16.662 ( 0.000 -21.983 4.224) 22.386 17.158 ( 0.000 -1.771 0.807) 1.946 17.323 ( 0.000 7.383 -7.590) 10.588 17.356 ( 0.000 4.770 -5.659) 7.402 17.529 ( 0.000 -26.448 14.742) 30.279 17.861 ( 0.000 6.854 3.686) 7.782 18.180 ( 0.000 -2.469 -8.387) 8.743 18.450 ( 0.000 3.806 2.752) 4.697 18.725 ( 0.000 -8.050 0.660) 8.077 19.341 ( 0.000 13.143 -6.885) 14.837 19.733 ( 0.000 -6.632 -2.252) 7.004 19.964 ( 0.000 6.536 5.196) 8.350 20.147 ( 0.000 -1.659 1.048) 1.962 20.792 ( 0.000 4.158 -11.590) 12.313 20.971 ( 0.000 0.106 -5.346) 5.348 21.262 ( 0.000 12.551 -15.988) 20.326 21.676 ( 0.000 -2.495 -11.183) 11.458 21.840 ( 0.000 0.736 -7.746) 7.780 21.886 ( 0.000 -0.942 -5.673) 5.751 21.938 ( 0.000 4.148 1.484) 4.406 22.191 ( 0.000 -4.567 0.443) 4.588 22.608 ( 0.000 -0.623 0.866) 1.067 22.621 ( 0.000 -0.950 -9.899) 9.944 22.714 ( 0.000 1.934 -3.233) 3.767 22.785 ( 0.000 -0.840 8.279) 8.321 23.323 ( 0.000 2.554 -12.290) 12.553 23.509 ( 0.000 -4.210 -9.946) 10.800 ======================= Grid point 49 (22/36) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -2.534 1.613 17.090) 17.352 1.845 ( -5.478 1.642 22.129) 22.856 1.970 ( 2.702 5.771 19.777) 20.778 2.103 ( -6.529 1.892 16.148) 17.520 2.309 ( 6.368 -3.758 7.316) 10.402 2.441 ( -4.409 -2.702 9.380) 10.711 2.619 ( 3.398 -7.365 4.045) 9.064 2.644 ( 3.112 -3.805 9.412) 10.618 2.694 ( -0.707 3.238 2.607) 4.217 2.736 ( -3.712 -5.643 5.431) 8.667 2.812 ( 1.114 -5.205 4.857) 7.206 2.830 ( -0.576 -0.686 1.720) 1.939 2.977 ( 4.788 0.862 6.685) 8.268 3.021 ( 0.776 -6.978 -1.178) 7.119 3.054 ( -0.927 -0.795 -0.382) 1.280 3.068 ( -2.586 -5.623 0.433) 6.204 3.193 ( -1.022 -8.523 0.366) 8.592 3.202 ( -2.704 -2.182 8.638) 9.310 3.393 ( 2.024 -5.874 6.102) 8.708 3.412 ( 0.110 1.520 5.749) 5.948 3.490 ( 1.737 -2.214 9.158) 9.581 3.501 ( 0.259 1.676 5.638) 5.888 3.715 ( 2.358 4.658 2.289) 5.700 3.747 ( 1.159 3.943 1.127) 4.261 3.822 ( 1.634 2.661 -0.734) 3.208 3.838 ( 1.582 2.504 -2.607) 3.945 3.902 ( 0.457 4.482 2.176) 5.003 3.929 ( -0.392 2.696 0.038) 2.725 3.965 ( -2.006 4.323 3.557) 5.947 4.004 ( -1.818 0.746 -0.773) 2.111 4.104 ( 3.618 6.279 -1.978) 7.511 4.192 ( 1.741 2.005 -2.919) 3.946 4.400 ( 2.792 -0.252 -3.403) 4.408 4.444 ( 1.606 -0.866 -5.512) 5.806 4.512 ( 2.009 3.211 0.701) 3.852 4.559 ( 1.420 2.144 1.118) 2.804 4.648 ( -5.555 0.194 -1.538) 5.767 4.755 ( -5.053 -0.713 -1.063) 5.212 4.765 ( 0.637 2.242 -7.716) 8.060 4.882 ( -5.317 0.554 -8.533) 10.070 4.924 ( -2.023 -0.508 -1.893) 2.817 4.935 ( -3.333 -0.656 -2.882) 4.455 5.060 ( 1.190 -1.813 13.452) 13.625 5.069 ( 0.816 -2.291 15.821) 16.007 5.224 ( 4.586 -0.629 4.292) 6.313 5.275 ( 0.359 -0.821 -8.028) 8.078 5.317 ( 1.139 1.306 -0.261) 1.753 5.363 ( -1.841 2.539 3.262) 4.526 5.495 ( 1.034 2.372 6.156) 6.678 5.523 ( -1.363 0.846 6.625) 6.817 5.591 ( 3.702 -0.871 -0.266) 3.812 5.660 ( 0.940 -2.365 3.542) 4.361 5.726 ( 5.294 -0.186 5.231) 7.445 5.769 ( 3.701 -0.994 4.963) 6.270 5.823 ( -0.183 -2.640 7.182) 7.654 5.881 ( -2.449 -0.505 4.238) 4.921 5.941 ( -1.385 2.319 7.806) 8.261 5.999 ( -1.107 -3.122 7.345) 8.057 6.095 ( 2.069 0.652 5.507) 5.919 6.150 ( -2.706 1.147 7.213) 7.789 6.182 ( -4.499 -1.617 5.954) 7.636 6.240 ( -7.624 -3.650 5.707) 10.198 6.367 ( 6.043 0.964 2.392) 6.570 6.522 ( -5.896 -0.198 1.696) 6.139 6.650 ( 7.754 -1.272 1.560) 8.011 6.730 ( 2.337 2.528 0.023) 3.443 6.819 ( -4.442 3.275 -5.827) 8.026 6.859 ( -1.208 3.110 0.685) 3.406 6.898 ( 3.317 -0.045 -7.046) 7.788 6.925 ( 0.949 -2.019 -1.722) 2.818 6.984 ( -2.711 -1.451 2.842) 4.186 7.027 ( 2.965 -0.215 1.033) 3.147 7.060 ( -6.181 -0.645 -4.136) 7.465 7.122 ( 2.272 0.339 1.878) 2.967 7.160 ( -2.389 2.628 -3.975) 5.330 7.201 ( -3.587 -0.522 4.452) 5.741 7.473 ( 8.090 1.720 -0.571) 8.291 7.552 ( -1.038 0.884 6.115) 6.265 7.569 ( 1.654 -0.303 2.239) 2.800 7.669 ( 4.450 -0.386 0.129) 4.469 7.682 ( 0.470 1.514 -2.612) 3.055 7.746 ( -2.514 -1.138 -0.263) 2.772 7.788 ( -1.252 0.681 0.003) 1.425 7.813 ( -2.407 1.387 2.339) 3.631 7.909 ( 2.511 -1.771 -4.656) 5.578 7.974 ( -1.566 -0.886 -6.027) 6.289 8.045 ( -1.028 0.450 7.621) 7.703 8.101 ( -3.168 -0.256 7.920) 8.534 8.255 ( 2.156 -1.049 -1.589) 2.876 8.292 ( -1.700 -0.381 -2.877) 3.363 8.318 ( 2.542 0.980 0.358) 2.748 8.384 ( -2.340 -0.281 -1.134) 2.615 8.553 ( 2.684 1.630 0.987) 3.291 8.622 ( -2.856 -0.548 1.022) 3.082 8.803 ( 4.072 1.627 -11.161) 11.991 8.883 ( -0.812 -1.194 2.430) 2.826 8.939 ( 0.114 -0.826 3.525) 3.622 8.969 ( -3.620 0.173 -4.632) 5.881 9.388 ( 1.053 -1.747 -5.834) 6.180 9.425 ( -1.586 -1.877 -8.252) 8.610 9.524 ( 3.459 2.114 5.956) 7.205 9.584 ( -1.662 -0.337 7.036) 7.237 9.873 ( 4.190 1.992 -1.094) 4.767 9.944 ( -0.759 -0.676 -1.181) 1.558 9.983 ( 1.266 0.201 -4.267) 4.456 10.002 ( -0.970 0.267 -4.270) 4.387 10.037 ( -0.158 0.281 -7.440) 7.447 10.065 ( -2.703 -1.237 -10.360) 10.778 10.350 ( 1.010 0.713 -2.663) 2.936 10.378 ( -1.239 -0.284 1.198) 1.747 10.945 ( 0.917 -0.078 -8.637) 8.686 10.961 ( -0.333 -0.646 -9.425) 9.453 11.145 ( 1.419 0.966 -12.010) 12.132 11.183 ( -1.561 -0.337 -12.955) 13.053 11.298 ( 2.185 0.862 -14.782) 14.967 11.349 ( -1.937 -0.966 -15.033) 15.188 11.770 ( 0.931 0.122 15.790) 15.818 11.800 ( -1.436 -0.996 17.182) 17.271 12.491 ( 0.935 1.085 -0.221) 1.449 12.512 ( -0.753 0.442 0.514) 1.013 12.876 ( 0.879 0.854 14.338) 14.390 12.903 ( -1.247 0.080 14.965) 15.017 12.982 ( 3.091 0.797 -4.027) 5.139 13.039 ( -0.471 0.562 2.914) 3.005 13.083 ( -1.858 -1.094 -2.976) 3.675 13.138 ( -5.471 0.132 -4.386) 7.014 13.279 ( 7.192 2.245 4.030) 8.545 13.363 ( 2.499 -0.361 -1.705) 3.047 13.400 ( -1.718 0.138 -1.188) 2.093 13.446 ( -2.555 0.355 -0.805) 2.702 13.868 ( 3.828 1.996 -0.794) 4.390 13.912 ( 3.271 2.859 11.670) 12.452 14.000 ( -0.756 1.450 -1.423) 2.168 14.126 ( -7.161 0.175 10.086) 12.371 14.222 ( 2.623 1.630 4.429) 5.399 14.305 ( -4.159 0.761 4.055) 5.858 14.326 ( 0.346 -1.050 5.558) 5.667 14.348 ( -1.177 -0.112 3.969) 4.141 14.460 ( 0.808 -0.673 1.963) 2.227 14.487 ( -1.654 -0.303 0.476) 1.747 14.579 ( 3.378 1.883 0.509) 3.901 14.644 ( -1.133 1.110 -1.300) 2.051 14.839 ( 6.279 1.259 -0.939) 6.473 14.971 ( -3.920 -2.539 -0.756) 4.731 15.127 ( 10.201 3.945 18.355) 21.367 15.420 ( -12.055 2.822 1.514) 12.473 15.552 ( 2.369 1.717 -5.066) 5.851 15.654 ( -6.970 -8.032 6.045) 12.233 15.759 ( 0.944 -0.020 1.265) 1.579 15.831 ( -4.186 -1.339 3.904) 5.878 16.083 ( 1.335 -6.434 -6.929) 9.549 16.126 ( -1.809 -8.643 -8.240) 12.078 16.308 ( 6.993 0.001 -11.599) 13.543 16.487 ( -9.431 -8.898 -8.957) 15.759 17.094 ( 1.765 -2.330 -2.813) 4.056 17.185 ( -5.291 -0.443 -4.467) 6.939 17.599 ( 9.372 7.512 0.479) 12.021 17.729 ( 0.632 -2.188 2.223) 3.183 17.966 ( 13.515 -7.968 1.766) 15.788 18.157 ( -2.326 0.267 -7.333) 7.698 18.402 ( -0.818 -5.506 3.810) 6.745 18.574 ( -11.783 -8.254 2.161) 14.547 19.349 ( 6.024 6.590 -2.888) 9.384 19.586 ( -12.623 6.371 -2.981) 14.450 20.159 ( 16.893 -3.904 2.038) 17.458 20.362 ( 5.918 -3.980 -0.212) 7.135 20.698 ( -1.355 7.300 -9.978) 12.437 20.906 ( -11.536 -2.874 -16.162) 20.064 21.267 ( 6.823 10.080 -5.790) 13.479 21.496 ( -10.849 3.479 -7.463) 13.620 21.842 ( 1.813 0.399 -8.123) 8.333 21.904 ( -2.073 -0.398 -7.650) 7.936 22.084 ( 8.100 1.240 -1.244) 8.288 22.189 ( -1.284 -1.072 -0.709) 1.817 22.599 ( 0.164 0.001 -8.905) 8.907 22.631 ( -0.246 -0.601 -9.087) 9.110 22.691 ( 0.094 1.475 6.374) 6.544 22.748 ( -2.953 -0.514 8.595) 9.103 23.392 ( 4.640 0.002 -11.963) 12.831 23.480 ( -2.646 -3.052 -10.717) 11.453 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 -0.273 10.553) 10.557 1.929 ( 0.000 0.273 10.553) 10.557 2.128 ( 0.000 -3.064 13.875) 14.209 2.128 ( 0.000 3.064 13.875) 14.209 2.262 ( 0.000 -10.811 9.998) 14.725 2.262 ( 0.000 10.811 9.998) 14.725 2.582 ( 0.000 -7.070 13.581) 15.311 2.582 ( 0.000 7.070 13.581) 15.311 2.657 ( 0.000 -7.182 4.144) 8.291 2.657 ( 0.000 7.182 4.144) 8.291 2.811 ( 0.000 -2.714 -4.153) 4.961 2.811 ( 0.000 2.714 -4.153) 4.961 2.939 ( 0.000 -6.596 2.363) 7.007 2.939 ( 0.000 6.596 2.363) 7.007 3.036 ( 0.000 -0.016 1.969) 1.970 3.036 ( 0.000 0.016 1.969) 1.970 3.144 ( 0.000 -7.963 9.002) 12.018 3.144 ( 0.000 7.963 9.002) 12.018 3.369 ( 0.000 -3.098 2.828) 4.195 3.369 ( 0.000 3.098 2.828) 4.195 3.489 ( 0.000 -4.696 11.799) 12.699 3.489 ( 0.000 4.696 11.799) 12.699 3.727 ( 0.000 -0.609 1.971) 2.063 3.727 ( 0.000 0.609 1.971) 2.063 3.835 ( 0.000 -0.236 1.576) 1.594 3.835 ( 0.000 0.236 1.576) 1.594 3.955 ( 0.000 -0.211 0.394) 0.446 3.955 ( 0.000 0.211 0.394) 0.446 3.998 ( 0.000 -0.196 1.569) 1.581 3.998 ( 0.000 0.196 1.569) 1.581 4.204 ( 0.000 -1.305 1.669) 2.118 4.204 ( 0.000 1.305 1.669) 2.118 4.374 ( 0.000 -0.175 -7.323) 7.325 4.374 ( 0.000 0.175 -7.323) 7.325 4.570 ( 0.000 -1.485 0.289) 1.513 4.570 ( 0.000 1.485 0.289) 1.513 4.779 ( 0.000 -4.633 -4.341) 6.349 4.779 ( 0.000 4.633 -4.341) 6.349 4.922 ( 0.000 -1.771 7.615) 7.819 4.922 ( 0.000 1.771 7.615) 7.819 4.945 ( 0.000 -2.628 0.576) 2.690 4.945 ( 0.000 2.628 0.576) 2.690 5.061 ( 0.000 -4.152 9.983) 10.812 5.061 ( 0.000 4.152 9.983) 10.812 5.109 ( 0.000 -3.715 -9.967) 10.637 5.109 ( 0.000 3.715 -9.967) 10.637 5.378 ( 0.000 -0.357 2.797) 2.819 5.378 ( 0.000 0.357 2.797) 2.819 5.536 ( 0.000 -0.377 4.635) 4.651 5.536 ( 0.000 0.377 4.635) 4.651 5.602 ( 0.000 -0.746 5.542) 5.592 5.602 ( 0.000 0.746 5.542) 5.592 5.632 ( 0.000 -4.968 -0.777) 5.028 5.632 ( 0.000 4.968 -0.777) 5.028 5.826 ( 0.000 -1.972 6.966) 7.240 5.826 ( 0.000 1.972 6.966) 7.240 6.035 ( 0.000 -1.931 2.381) 3.066 6.035 ( 0.000 1.931 2.381) 3.066 6.168 ( 0.000 -4.696 0.001) 4.696 6.168 ( 0.000 4.696 0.001) 4.696 6.245 ( 0.000 -0.978 13.452) 13.488 6.245 ( 0.000 0.978 13.452) 13.488 6.396 ( 0.000 -0.336 1.476) 1.514 6.396 ( 0.000 0.336 1.476) 1.514 6.655 ( 0.000 -0.003 4.226) 4.226 6.655 ( 0.000 0.003 4.226) 4.226 6.866 ( 0.000 -0.839 -0.352) 0.909 6.866 ( 0.000 0.839 -0.352) 0.909 6.904 ( 0.000 -1.173 2.394) 2.666 6.904 ( 0.000 1.173 2.394) 2.666 7.031 ( 0.000 -4.795 -11.567) 12.521 7.031 ( 0.000 4.795 -11.567) 12.521 7.106 ( 0.000 -0.178 -2.807) 2.813 7.106 ( 0.000 0.178 -2.807) 2.813 7.250 ( 0.000 -1.303 -0.388) 1.360 7.250 ( 0.000 1.303 -0.388) 1.360 7.499 ( 0.000 -8.640 5.153) 10.060 7.499 ( 0.000 8.640 5.153) 10.060 7.562 ( 0.000 -0.003 6.272) 6.272 7.562 ( 0.000 0.003 6.272) 6.272 7.706 ( 0.000 -3.524 -3.720) 5.124 7.706 ( 0.000 3.524 -3.720) 5.124 7.814 ( 0.000 -1.646 -1.881) 2.499 7.814 ( 0.000 1.646 -1.881) 2.499 7.932 ( 0.000 -3.761 -4.046) 5.524 7.932 ( 0.000 3.761 -4.046) 5.524 8.132 ( 0.000 -0.080 5.968) 5.968 8.132 ( 0.000 0.080 5.968) 5.968 8.248 ( 0.000 -2.707 1.897) 3.306 8.248 ( 0.000 2.707 1.897) 3.306 8.358 ( 0.000 -1.976 -2.189) 2.949 8.358 ( 0.000 1.976 -2.189) 2.949 8.588 ( 0.000 -3.572 0.501) 3.607 8.588 ( 0.000 3.572 0.501) 3.607 8.856 ( 0.000 -4.191 -1.398) 4.418 8.856 ( 0.000 4.191 -1.398) 4.418 8.936 ( 0.000 -4.062 -3.476) 5.346 8.936 ( 0.000 4.062 -3.476) 5.346 9.423 ( 0.000 -0.789 -7.195) 7.238 9.423 ( 0.000 0.789 -7.195) 7.238 9.521 ( 0.000 -3.299 7.753) 8.426 9.521 ( 0.000 3.299 7.753) 8.426 9.913 ( 0.000 -3.425 -2.144) 4.041 9.913 ( 0.000 3.425 -2.144) 4.041 9.992 ( 0.000 -2.774 -3.440) 4.419 9.992 ( 0.000 2.774 -3.440) 4.419 10.051 ( 0.000 -0.521 -9.334) 9.349 10.051 ( 0.000 0.521 -9.334) 9.349 10.366 ( 0.000 -1.512 -0.523) 1.600 10.366 ( 0.000 1.512 -0.523) 1.600 10.942 ( 0.000 -0.755 -9.187) 9.218 10.942 ( 0.000 0.755 -9.187) 9.218 11.171 ( 0.000 -1.939 -11.892) 12.049 11.171 ( 0.000 1.939 -11.892) 12.049 11.321 ( 0.000 -2.673 -15.310) 15.541 11.321 ( 0.000 2.673 -15.310) 15.541 11.781 ( 0.000 -1.494 16.690) 16.756 11.781 ( 0.000 1.494 16.690) 16.756 12.505 ( 0.000 -1.080 0.246) 1.108 12.505 ( 0.000 1.080 0.246) 1.108 12.902 ( 0.000 -1.168 12.468) 12.523 12.902 ( 0.000 1.168 12.468) 12.523 13.026 ( 0.000 -4.278 -3.513) 5.535 13.026 ( 0.000 4.278 -3.513) 5.535 13.186 ( 0.000 -0.055 7.997) 7.997 13.186 ( 0.000 0.055 7.997) 7.997 13.231 ( 0.000 -0.092 -8.676) 8.677 13.231 ( 0.000 0.092 -8.676) 8.677 13.436 ( 0.000 -0.346 -1.040) 1.096 13.436 ( 0.000 0.346 -1.040) 1.096 13.950 ( 0.000 -5.255 -3.302) 6.207 13.950 ( 0.000 5.255 -3.302) 6.207 14.053 ( 0.000 -9.782 11.122) 14.811 14.053 ( 0.000 9.782 11.122) 14.811 14.250 ( 0.000 -3.476 6.716) 7.562 14.250 ( 0.000 3.476 6.716) 7.562 14.410 ( 0.000 -2.223 2.628) 3.442 14.410 ( 0.000 2.223 2.628) 3.442 14.465 ( 0.000 -1.538 2.077) 2.584 14.465 ( 0.000 1.538 2.077) 2.584 14.572 ( 0.000 -0.702 -1.427) 1.590 14.572 ( 0.000 0.702 -1.427) 1.590 14.940 ( 0.000 -6.043 -3.231) 6.853 14.940 ( 0.000 6.043 -3.231) 6.853 15.234 ( 0.000 -20.696 16.416) 26.416 15.234 ( 0.000 20.696 16.416) 26.416 15.690 ( 0.000 -6.215 -1.718) 6.448 15.690 ( 0.000 6.215 -1.718) 6.448 15.770 ( 0.000 -0.020 -0.786) 0.786 15.770 ( 0.000 0.020 -0.786) 0.786 16.049 ( 0.000 -1.846 -0.826) 2.022 16.049 ( 0.000 1.846 -0.826) 2.022 16.296 ( 0.000 -8.701 -6.728) 10.998 16.296 ( 0.000 8.701 -6.728) 10.998 17.189 ( 0.000 -3.497 5.929) 6.883 17.189 ( 0.000 3.497 5.929) 6.883 17.421 ( 0.000 -0.069 -6.169) 6.170 17.421 ( 0.000 0.069 -6.169) 6.170 18.059 ( 0.000 -8.831 -2.396) 9.150 18.059 ( 0.000 8.831 -2.396) 9.150 18.550 ( 0.000 -5.319 2.609) 5.924 18.550 ( 0.000 5.319 2.609) 5.924 19.562 ( 0.000 -6.321 -3.191) 7.081 19.562 ( 0.000 6.321 -3.191) 7.081 20.084 ( 0.000 -2.281 1.955) 3.004 20.084 ( 0.000 2.281 1.955) 3.004 20.900 ( 0.000 -4.874 -12.157) 13.097 20.900 ( 0.000 4.874 -12.157) 13.097 21.548 ( 0.000 -9.679 -14.589) 17.508 21.548 ( 0.000 9.679 -14.589) 17.508 21.862 ( 0.000 -0.526 -5.929) 5.952 21.862 ( 0.000 0.526 -5.929) 5.952 22.060 ( 0.000 -6.138 0.607) 6.168 22.060 ( 0.000 6.138 0.607) 6.168 22.604 ( 0.000 -0.204 -6.197) 6.200 22.604 ( 0.000 0.204 -6.197) 6.200 22.756 ( 0.000 -1.747 4.028) 4.391 22.756 ( 0.000 1.747 4.028) 4.391 23.405 ( 0.000 -4.780 -10.502) 11.538 23.405 ( 0.000 4.780 -10.502) 11.538 ======================= Grid point 53 (24/36) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -2.457 0.000 17.406) 17.578 1.884 ( -7.140 0.000 18.340) 19.681 2.070 ( 2.494 0.000 12.762) 13.003 2.144 ( -2.679 0.000 10.880) 11.205 2.319 ( 4.946 0.000 9.114) 10.370 2.341 ( 4.875 -0.000 10.681) 11.741 2.453 ( -5.813 0.000 13.417) 14.622 2.482 ( -6.391 -0.000 9.728) 11.639 2.715 ( 2.532 0.000 5.021) 5.624 2.743 ( 0.407 -0.000 -0.068) 0.413 2.808 ( 2.881 0.000 0.601) 2.943 2.833 ( 0.694 -0.000 -0.748) 1.020 2.925 ( -1.517 -0.000 1.929) 2.453 2.943 ( -2.075 0.000 2.640) 3.358 3.008 ( 0.923 -0.000 2.898) 3.042 3.021 ( 0.497 0.000 -2.112) 2.170 3.177 ( 1.255 0.000 4.601) 4.769 3.218 ( -1.533 -0.000 4.170) 4.443 3.264 ( 2.969 0.000 12.049) 12.409 3.367 ( -3.336 0.000 5.249) 6.219 3.515 ( 1.446 -0.000 8.388) 8.512 3.532 ( 0.775 0.000 10.937) 10.965 3.766 ( 2.418 0.000 2.276) 3.321 3.769 ( 2.630 -0.000 3.161) 4.112 3.866 ( 1.735 0.000 -2.552) 3.086 3.882 ( 2.419 0.000 -0.123) 2.422 3.946 ( -0.652 -0.000 -0.483) 0.811 3.947 ( -0.056 0.000 1.056) 1.058 3.999 ( -1.586 0.000 1.759) 2.368 4.018 ( -0.138 0.000 1.773) 1.779 4.204 ( 1.318 0.000 -0.573) 1.437 4.222 ( 3.437 0.000 -2.065) 4.009 4.384 ( 3.910 0.000 -3.135) 5.011 4.436 ( 1.021 0.000 -4.236) 4.357 4.573 ( -0.005 -0.000 -2.556) 2.556 4.589 ( 2.580 0.000 3.022) 3.973 4.668 ( -9.399 0.000 -2.278) 9.671 4.725 ( -8.171 0.000 1.786) 8.364 4.805 ( 0.323 -0.000 -6.456) 6.464 4.848 ( -1.798 0.000 -5.122) 5.429 4.925 ( -2.761 0.000 -2.888) 3.995 4.931 ( -1.408 0.000 -3.413) 3.691 5.049 ( 1.144 0.000 25.035) 25.061 5.057 ( 1.213 0.000 14.543) 14.594 5.201 ( 5.140 0.000 -3.671) 6.317 5.268 ( 0.568 0.000 -11.127) 11.142 5.334 ( 2.520 -0.000 -2.993) 3.912 5.398 ( -0.978 0.000 3.405) 3.543 5.523 ( 0.521 0.000 9.259) 9.273 5.529 ( 0.042 -0.000 5.128) 5.128 5.578 ( 1.888 0.000 -0.070) 1.890 5.628 ( -0.659 0.000 -1.001) 1.198 5.733 ( 8.050 -0.000 9.334) 12.325 5.738 ( 3.770 0.000 2.647) 4.606 5.792 ( -1.105 0.000 7.024) 7.111 5.882 ( 0.597 0.000 0.833) 1.025 5.965 ( -5.056 0.000 8.259) 9.684 5.974 ( -4.242 0.000 5.177) 6.693 6.110 ( -1.100 0.000 6.965) 7.052 6.146 ( -1.924 0.000 -2.259) 2.967 6.166 ( -3.449 0.000 10.818) 11.355 6.184 ( -5.256 0.000 9.710) 11.041 6.382 ( 5.858 0.000 1.341) 6.010 6.520 ( -4.847 0.000 2.246) 5.342 6.633 ( 10.800 0.000 3.242) 11.276 6.796 ( 1.714 -0.000 -0.293) 1.739 6.811 ( 0.543 0.000 -0.322) 0.631 6.902 ( 2.505 -0.000 -2.413) 3.478 6.904 ( -2.917 0.000 -4.948) 5.744 6.934 ( -3.316 0.000 -6.355) 7.168 6.966 ( -1.195 0.000 3.595) 3.788 7.003 ( -3.704 -0.000 -6.771) 7.718 7.038 ( 2.184 0.000 -0.244) 2.198 7.121 ( -2.658 0.000 5.169) 5.812 7.183 ( -1.245 0.000 4.670) 4.833 7.222 ( -2.893 0.000 -7.874) 8.388 7.502 ( 1.681 0.000 7.014) 7.212 7.558 ( -0.793 0.000 6.304) 6.354 7.589 ( 4.849 0.000 -2.895) 5.648 7.628 ( 5.246 -0.000 -1.001) 5.341 7.694 ( 1.227 0.000 -2.246) 2.559 7.738 ( -5.103 0.000 -5.390) 7.422 7.807 ( 2.586 0.000 0.935) 2.749 7.847 ( -2.965 0.000 3.098) 4.288 7.882 ( 3.176 0.000 -3.399) 4.652 7.952 ( -0.890 -0.000 -3.407) 3.521 8.050 ( -1.996 0.000 7.135) 7.409 8.098 ( -3.635 0.000 8.863) 9.579 8.242 ( 1.078 0.000 -2.234) 2.481 8.287 ( -2.860 0.000 -2.771) 3.982 8.331 ( 3.254 0.000 1.753) 3.696 8.379 ( -0.697 0.000 -1.730) 1.865 8.587 ( 0.775 0.000 -0.149) 0.790 8.603 ( -0.110 0.000 0.985) 0.991 8.826 ( 0.499 0.000 -1.870) 1.935 8.871 ( -2.977 0.000 -4.214) 5.159 8.931 ( 2.834 0.000 0.161) 2.839 8.963 ( 0.067 0.000 -2.867) 2.868 9.374 ( -1.036 -0.000 -3.624) 3.769 9.392 ( -2.372 0.000 -8.284) 8.617 9.559 ( 2.445 -0.000 7.904) 8.274 9.571 ( 1.409 0.000 3.066) 3.375 9.906 ( 0.767 0.000 -2.583) 2.695 9.933 ( -0.656 0.000 1.777) 1.894 9.982 ( 1.006 0.000 -6.684) 6.759 10.006 ( -0.195 0.000 -2.916) 2.922 10.043 ( -0.359 0.000 -9.280) 9.287 10.045 ( -0.498 0.000 -9.276) 9.290 10.364 ( 0.184 -0.000 -0.903) 0.921 10.370 ( -0.090 0.000 -1.160) 1.163 10.947 ( 0.466 0.000 -8.563) 8.576 10.951 ( 0.255 0.000 -9.335) 9.338 11.167 ( -0.145 0.000 -12.097) 12.098 11.169 ( -0.230 -0.000 -12.577) 12.579 11.320 ( 0.284 -0.000 -14.872) 14.875 11.326 ( -0.021 0.000 -15.009) 15.009 11.778 ( -0.085 0.000 16.318) 16.318 11.780 ( -0.191 -0.000 16.512) 16.513 12.511 ( 0.412 -0.000 0.929) 1.016 12.513 ( 0.337 0.000 0.075) 0.345 12.889 ( -0.135 0.000 11.360) 11.361 12.903 ( -0.821 0.000 16.264) 16.285 13.009 ( -0.589 0.000 2.223) 2.300 13.015 ( -1.395 -0.000 -5.588) 5.759 13.091 ( -0.460 -0.000 0.690) 0.830 13.128 ( -3.242 0.000 -7.425) 8.102 13.319 ( 4.189 0.000 4.143) 5.891 13.350 ( 3.651 0.000 -1.545) 3.965 13.406 ( -0.423 0.000 -2.032) 2.075 13.448 ( -1.054 0.000 -3.650) 3.800 13.904 ( -0.689 0.000 -0.518) 0.862 13.933 ( -2.361 -0.000 -3.420) 4.156 14.073 ( 1.790 0.000 14.100) 14.214 14.087 ( 0.882 -0.000 9.853) 9.892 14.267 ( 1.572 -0.000 5.790) 5.999 14.274 ( 2.076 0.000 6.294) 6.627 14.339 ( -4.485 0.000 4.084) 6.066 14.343 ( -3.207 -0.000 3.254) 4.568 14.450 ( 1.230 0.000 1.649) 2.058 14.483 ( -1.879 0.000 -0.504) 1.946 14.622 ( 4.441 0.000 1.161) 4.590 14.646 ( 2.397 0.000 -2.610) 3.543 14.893 ( -1.524 -0.000 -2.311) 2.768 14.918 ( -3.107 0.000 0.474) 3.143 15.243 ( 6.668 0.000 6.000) 8.970 15.384 ( 6.085 0.000 7.408) 9.586 15.510 ( -11.007 0.000 10.653) 15.318 15.581 ( -7.410 0.000 26.405) 27.425 15.787 ( 1.114 0.000 -10.697) 10.754 15.809 ( 0.008 0.000 3.026) 3.026 15.974 ( -2.359 0.000 -3.024) 3.836 15.991 ( -2.342 0.000 -3.608) 4.301 16.320 ( 4.053 0.000 -10.372) 11.136 16.370 ( 0.325 0.000 -16.300) 16.303 17.066 ( 1.245 0.000 -2.349) 2.659 17.178 ( -8.096 0.000 -5.207) 9.625 17.641 ( 21.219 0.000 4.712) 21.735 17.707 ( 10.864 0.000 -3.854) 11.527 17.974 ( -3.722 0.000 -0.289) 3.733 18.160 ( -3.978 0.000 -7.428) 8.427 18.260 ( -4.044 -0.000 11.163) 11.872 18.512 ( -12.020 0.000 1.907) 12.171 19.416 ( 5.558 0.000 -2.052) 5.924 19.664 ( -12.330 0.000 -5.609) 13.546 20.107 ( 17.550 0.000 2.254) 17.694 20.319 ( 3.535 0.000 1.414) 3.807 20.802 ( -3.581 0.000 -10.852) 11.428 20.850 ( -7.829 -0.000 -15.175) 17.075 21.408 ( 1.288 0.000 -9.589) 9.675 21.536 ( -6.254 0.000 -11.749) 13.310 21.845 ( 1.573 0.000 -7.442) 7.606 21.902 ( -3.171 0.000 -7.486) 8.130 22.104 ( 7.677 0.000 -1.938) 7.918 22.170 ( 2.046 0.000 -1.376) 2.466 22.598 ( 0.869 0.000 -6.683) 6.739 22.626 ( 0.180 0.000 -10.604) 10.605 22.713 ( -1.575 0.000 9.017) 9.153 22.736 ( -2.072 0.000 5.372) 5.758 23.414 ( 0.607 0.000 -10.876) 10.893 23.417 ( 0.457 -0.000 -10.867) 10.877 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.000 0.000 16.117) 16.117 2.324 ( 0.000 0.000 24.788) 24.788 2.380 ( 0.000 0.000 15.669) 15.669 2.450 ( 0.000 0.000 8.394) 8.394 2.523 ( 0.000 0.000 1.718) 1.718 2.554 ( 0.000 0.000 14.380) 14.380 2.658 ( 0.000 0.000 -0.912) 0.912 2.776 ( 0.000 0.000 4.564) 4.564 2.783 ( 0.000 0.000 5.177) 5.177 2.791 ( 0.000 0.000 -6.281) 6.281 2.844 ( 0.000 0.000 -1.491) 1.491 2.928 ( 0.000 0.000 1.359) 1.359 3.035 ( 0.000 0.000 7.373) 7.373 3.090 ( 0.000 0.000 2.454) 2.454 3.180 ( 0.000 0.000 -13.661) 13.661 3.286 ( 0.000 0.000 -12.323) 12.323 3.311 ( 0.000 0.000 -1.362) 1.362 3.328 ( 0.000 0.000 0.632) 0.632 3.360 ( 0.000 0.000 7.572) 7.572 3.529 ( 0.000 0.000 -0.942) 0.942 3.550 ( 0.000 0.000 7.318) 7.318 3.585 ( 0.000 0.000 9.821) 9.821 3.628 ( 0.000 0.000 -0.394) 0.394 3.652 ( 0.000 0.000 1.635) 1.635 3.775 ( 0.000 0.000 -0.625) 0.625 3.811 ( 0.000 0.000 -0.766) 0.766 3.815 ( 0.000 0.000 -1.449) 1.449 3.860 ( 0.000 0.000 -1.085) 1.085 3.980 ( 0.000 0.000 8.150) 8.150 4.037 ( 0.000 0.000 6.789) 6.789 4.059 ( 0.000 0.000 -0.691) 0.691 4.142 ( 0.000 0.000 2.623) 2.623 4.279 ( 0.000 0.000 -2.305) 2.305 4.313 ( 0.000 0.000 -8.746) 8.746 4.350 ( 0.000 0.000 -3.647) 3.647 4.448 ( 0.000 0.000 -4.746) 4.746 4.512 ( 0.000 0.000 -1.976) 1.976 4.636 ( 0.000 0.000 -12.794) 12.794 4.698 ( 0.000 0.000 -9.207) 9.207 4.763 ( 0.000 0.000 -22.458) 22.458 4.795 ( 0.000 0.000 -7.696) 7.696 4.860 ( 0.000 0.000 -3.314) 3.314 5.040 ( 0.000 0.000 4.780) 4.780 5.151 ( 0.000 0.000 6.344) 6.344 5.153 ( 0.000 0.000 0.899) 0.899 5.377 ( 0.000 0.000 2.467) 2.467 5.528 ( 0.000 0.000 4.406) 4.406 5.563 ( 0.000 0.000 4.141) 4.141 5.606 ( 0.000 0.000 5.053) 5.053 5.626 ( 0.000 0.000 7.984) 7.984 5.680 ( 0.000 0.000 9.690) 9.690 5.800 ( 0.000 0.000 3.885) 3.885 5.858 ( 0.000 0.000 6.731) 6.731 5.970 ( 0.000 0.000 -0.395) 0.395 5.981 ( 0.000 0.000 17.662) 17.662 6.079 ( 0.000 0.000 8.027) 8.027 6.085 ( 0.000 0.000 8.818) 8.818 6.102 ( 0.000 0.000 7.164) 7.164 6.113 ( 0.000 0.000 13.004) 13.004 6.189 ( 0.000 0.000 -0.990) 0.990 6.270 ( 0.000 0.000 -5.098) 5.098 6.419 ( 0.000 0.000 -2.253) 2.253 6.491 ( 0.000 0.000 -1.707) 1.707 6.651 ( 0.000 0.000 4.579) 4.579 6.671 ( 0.000 0.000 -10.060) 10.060 6.758 ( 0.000 0.000 -14.805) 14.805 6.759 ( 0.000 0.000 13.408) 13.408 6.788 ( 0.000 0.000 -4.709) 4.709 6.793 ( 0.000 0.000 4.191) 4.191 6.807 ( 0.000 0.000 0.509) 0.509 6.885 ( 0.000 0.000 -3.063) 3.063 7.024 ( 0.000 0.000 -4.795) 4.795 7.037 ( 0.000 0.000 5.603) 5.603 7.199 ( 0.000 0.000 4.265) 4.265 7.204 ( 0.000 0.000 5.341) 5.341 7.409 ( 0.000 0.000 5.710) 5.710 7.417 ( 0.000 0.000 11.380) 11.380 7.486 ( 0.000 0.000 -1.503) 1.503 7.569 ( 0.000 0.000 -3.927) 3.927 7.611 ( 0.000 0.000 -5.846) 5.846 7.675 ( 0.000 0.000 0.696) 0.696 7.739 ( 0.000 0.000 -3.516) 3.516 7.755 ( 0.000 0.000 4.276) 4.276 7.822 ( 0.000 0.000 -8.983) 8.983 7.912 ( 0.000 0.000 2.329) 2.329 8.003 ( 0.000 0.000 12.072) 12.072 8.145 ( 0.000 0.000 0.107) 0.107 8.210 ( 0.000 0.000 -3.125) 3.125 8.248 ( 0.000 0.000 -2.635) 2.635 8.251 ( 0.000 0.000 -3.103) 3.103 8.279 ( 0.000 0.000 -10.554) 10.554 8.294 ( 0.000 0.000 5.559) 5.559 8.539 ( 0.000 0.000 3.172) 3.172 8.589 ( 0.000 0.000 3.390) 3.390 8.712 ( 0.000 0.000 2.700) 2.700 8.954 ( 0.000 0.000 1.869) 1.869 8.956 ( 0.000 0.000 -6.093) 6.093 9.047 ( 0.000 0.000 -0.201) 0.201 9.099 ( 0.000 0.000 -13.620) 13.620 9.189 ( 0.000 0.000 -13.920) 13.920 9.725 ( 0.000 0.000 12.265) 12.265 9.749 ( 0.000 0.000 2.193) 2.193 9.842 ( 0.000 0.000 7.968) 7.968 9.856 ( 0.000 0.000 0.224) 0.224 9.908 ( 0.000 0.000 -2.329) 2.329 9.941 ( 0.000 0.000 2.228) 2.228 9.977 ( 0.000 0.000 -2.315) 2.315 10.118 ( 0.000 0.000 0.095) 0.095 10.260 ( 0.000 0.000 1.128) 1.128 10.491 ( 0.000 0.000 5.077) 5.077 10.810 ( 0.000 0.000 -3.544) 3.544 10.830 ( 0.000 0.000 -4.139) 4.139 10.857 ( 0.000 0.000 -19.959) 19.959 10.876 ( 0.000 0.000 -11.500) 11.500 10.997 ( 0.000 0.000 -11.243) 11.243 11.070 ( 0.000 0.000 -16.330) 16.330 12.082 ( 0.000 0.000 17.728) 17.728 12.164 ( 0.000 0.000 13.610) 13.610 12.458 ( 0.000 0.000 -0.701) 0.701 12.554 ( 0.000 0.000 1.418) 1.418 12.791 ( 0.000 0.000 -2.746) 2.746 12.929 ( 0.000 0.000 -15.564) 15.564 12.935 ( 0.000 0.000 -7.378) 7.378 12.957 ( 0.000 0.000 -6.393) 6.393 13.159 ( 0.000 0.000 11.305) 11.305 13.258 ( 0.000 0.000 8.286) 8.286 13.319 ( 0.000 0.000 10.315) 10.315 13.334 ( 0.000 0.000 0.689) 0.689 13.387 ( 0.000 0.000 -0.373) 0.373 13.635 ( 0.000 0.000 4.526) 4.526 13.724 ( 0.000 0.000 -1.804) 1.804 13.804 ( 0.000 0.000 -13.942) 13.942 14.147 ( 0.000 0.000 14.126) 14.126 14.258 ( 0.000 0.000 4.017) 4.017 14.299 ( 0.000 0.000 -0.380) 0.380 14.354 ( 0.000 0.000 -1.032) 1.032 14.444 ( 0.000 0.000 8.716) 8.716 14.469 ( 0.000 0.000 5.003) 5.003 14.489 ( 0.000 0.000 0.486) 0.486 14.585 ( 0.000 0.000 2.844) 2.844 14.588 ( 0.000 0.000 2.871) 2.871 14.598 ( 0.000 0.000 -3.192) 3.192 14.676 ( 0.000 0.000 -0.516) 0.516 14.922 ( 0.000 0.000 -10.335) 10.335 15.100 ( 0.000 0.000 -12.704) 12.704 15.175 ( 0.000 0.000 -2.479) 2.479 15.407 ( 0.000 0.000 -3.590) 3.590 15.613 ( 0.000 0.000 -14.784) 14.784 15.910 ( 0.000 0.000 2.395) 2.395 15.988 ( 0.000 0.000 0.687) 0.687 16.037 ( 0.000 0.000 -5.153) 5.153 16.133 ( 0.000 0.000 12.504) 12.504 16.194 ( 0.000 0.000 10.554) 10.554 17.049 ( 0.000 0.000 -12.903) 12.903 17.056 ( 0.000 0.000 0.805) 0.805 17.072 ( 0.000 0.000 0.514) 0.514 17.374 ( 0.000 0.000 13.248) 13.248 17.884 ( 0.000 0.000 5.173) 5.173 17.979 ( 0.000 0.000 -12.968) 12.968 18.092 ( 0.000 0.000 -4.631) 4.631 18.474 ( 0.000 0.000 10.885) 10.885 18.931 ( 0.000 0.000 11.865) 11.865 18.952 ( 0.000 0.000 -9.421) 9.421 19.627 ( 0.000 0.000 -15.563) 15.563 20.080 ( 0.000 0.000 11.556) 11.556 20.213 ( 0.000 0.000 4.579) 4.579 20.530 ( 0.000 0.000 -10.196) 10.196 20.686 ( 0.000 0.000 -20.275) 20.275 21.140 ( 0.000 0.000 11.599) 11.599 21.595 ( 0.000 0.000 -1.057) 1.057 21.612 ( 0.000 0.000 -11.607) 11.607 21.771 ( 0.000 0.000 -6.730) 6.730 22.006 ( 0.000 0.000 7.311) 7.311 22.270 ( 0.000 0.000 2.325) 2.325 22.399 ( 0.000 0.000 -11.703) 11.703 22.480 ( 0.000 0.000 -8.967) 8.967 22.773 ( 0.000 0.000 6.513) 6.513 22.975 ( 0.000 0.000 8.509) 8.509 23.060 ( 0.000 0.000 -9.998) 9.998 23.347 ( 0.000 0.000 -10.722) 10.722 ======================= Grid point 61 (26/36) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 3.734 0.000 18.211) 18.589 2.258 ( -7.378 0.000 18.053) 19.503 2.373 ( 4.180 0.000 23.314) 23.686 2.489 ( -4.908 0.000 18.374) 19.018 2.512 ( 4.496 0.000 7.987) 9.166 2.616 ( -3.798 0.000 5.199) 6.439 2.622 ( 6.395 0.000 1.115) 6.492 2.749 ( 0.919 0.000 -7.086) 7.145 2.755 ( -3.992 0.000 1.672) 4.328 2.786 ( -1.726 0.000 -5.109) 5.393 2.930 ( 5.391 0.000 0.786) 5.448 2.943 ( 2.805 0.000 3.117) 4.193 3.027 ( -2.715 0.000 4.599) 5.341 3.043 ( -4.020 0.000 1.545) 4.306 3.205 ( 2.908 0.000 -9.333) 9.775 3.264 ( -1.149 0.000 -12.345) 12.398 3.315 ( 0.348 0.000 0.833) 0.902 3.324 ( 1.276 0.000 3.709) 3.922 3.366 ( -1.369 0.000 4.820) 5.011 3.386 ( -5.713 0.000 3.081) 6.491 3.599 ( 3.869 0.000 5.909) 7.063 3.658 ( 2.802 0.000 -0.337) 2.823 3.658 ( -0.494 0.000 3.141) 3.179 3.704 ( 0.952 0.000 1.216) 1.544 3.781 ( 2.309 0.000 0.608) 2.387 3.798 ( -0.507 0.000 -1.944) 2.009 3.805 ( -0.741 0.000 -2.668) 2.769 3.845 ( -1.688 0.000 0.094) 1.691 3.999 ( -2.150 0.000 5.076) 5.512 4.003 ( -2.556 0.000 3.642) 4.449 4.028 ( 4.305 0.000 4.776) 6.430 4.123 ( -2.665 0.000 -0.453) 2.703 4.342 ( 3.315 0.000 -0.876) 3.428 4.372 ( 0.774 0.000 -0.895) 1.183 4.383 ( 5.939 0.000 -7.974) 9.943 4.506 ( 4.216 0.000 -4.334) 6.046 4.538 ( 2.159 0.000 -6.717) 7.055 4.556 ( -7.079 0.000 -9.196) 11.605 4.596 ( -2.708 0.000 -12.908) 13.189 4.670 ( -7.055 0.000 -14.104) 15.770 4.816 ( 2.575 0.000 -2.996) 3.950 4.934 ( -7.097 0.000 2.811) 7.633 4.991 ( 7.278 0.000 -5.709) 9.250 5.124 ( -3.644 0.000 -3.366) 4.960 5.253 ( 8.006 0.000 5.975) 9.989 5.410 ( 3.200 0.000 3.089) 4.448 5.442 ( -7.155 0.000 5.498) 9.023 5.504 ( -4.288 0.000 4.009) 5.870 5.628 ( 0.456 0.000 7.902) 7.915 5.650 ( 3.759 0.000 5.095) 6.331 5.653 ( -1.369 0.000 7.050) 7.182 5.758 ( -5.103 0.000 4.295) 6.670 5.899 ( 4.993 0.000 4.368) 6.634 5.988 ( -2.782 0.000 8.424) 8.872 6.007 ( 1.897 0.000 11.727) 11.879 6.054 ( 0.652 0.000 -1.524) 1.657 6.078 ( -0.066 0.000 1.679) 1.680 6.079 ( -2.557 0.000 7.873) 8.278 6.201 ( 7.090 0.000 10.601) 12.753 6.217 ( 2.912 0.000 2.213) 3.658 6.293 ( -0.850 0.000 -3.386) 3.491 6.389 ( -7.876 0.000 5.684) 9.712 6.441 ( 3.721 0.000 1.677) 4.082 6.558 ( -5.394 0.000 -1.434) 5.581 6.707 ( 3.623 0.000 -3.587) 5.098 6.709 ( -2.159 0.000 1.126) 2.435 6.725 ( -3.642 0.000 3.838) 5.291 6.771 ( -1.745 0.000 -5.441) 5.714 6.861 ( 5.490 0.000 1.826) 5.786 6.868 ( 5.442 0.000 1.588) 5.669 6.957 ( 0.259 0.000 -0.041) 0.262 6.999 ( -3.963 0.000 -1.649) 4.292 7.081 ( 3.913 0.000 2.500) 4.643 7.164 ( -2.926 0.000 8.119) 8.630 7.205 ( 2.661 0.000 7.472) 7.931 7.328 ( -6.476 0.000 5.337) 8.391 7.429 ( 3.555 0.000 0.768) 3.637 7.513 ( 2.878 0.000 -3.997) 4.926 7.574 ( -6.680 0.000 -3.566) 7.573 7.590 ( -2.957 0.000 -0.310) 2.973 7.681 ( 3.451 0.000 -7.395) 8.160 7.710 ( 4.812 0.000 -4.223) 6.402 7.776 ( -3.377 0.000 -9.610) 10.186 7.804 ( -1.078 0.000 -0.701) 1.286 7.947 ( 2.796 0.000 9.332) 9.742 8.001 ( -1.044 0.000 10.557) 10.608 8.133 ( 0.048 0.000 0.356) 0.359 8.163 ( -2.485 0.000 -2.189) 3.312 8.252 ( 0.412 0.000 -1.873) 1.918 8.260 ( 0.192 0.000 -1.553) 1.565 8.312 ( 1.302 0.000 0.380) 1.356 8.323 ( 0.952 0.000 -1.569) 1.835 8.576 ( 3.108 0.000 2.799) 4.182 8.647 ( 5.795 0.000 0.421) 5.810 8.661 ( -3.744 0.000 2.692) 4.611 8.826 ( -8.531 0.000 -4.265) 9.538 8.986 ( 2.171 0.000 1.257) 2.508 9.030 ( -1.467 0.000 0.262) 1.490 9.150 ( 2.314 0.000 -14.206) 14.393 9.183 ( -0.691 0.000 -14.200) 14.217 9.739 ( 1.278 0.000 11.270) 11.342 9.785 ( -2.630 0.000 8.612) 9.005 9.838 ( 6.950 0.000 1.029) 7.026 9.904 ( 1.848 0.000 0.774) 2.004 9.927 ( 1.208 0.000 -2.693) 2.951 9.932 ( -0.717 0.000 0.736) 1.028 9.963 ( -1.054 0.000 -1.921) 2.191 10.030 ( -6.704 0.000 0.994) 6.777 10.322 ( 4.760 0.000 2.544) 5.397 10.436 ( -4.435 0.000 4.344) 6.208 10.816 ( 0.457 0.000 -3.754) 3.781 10.826 ( -0.351 0.000 -3.990) 4.005 10.878 ( 1.170 0.000 -17.700) 17.738 10.885 ( 0.483 0.000 -13.533) 13.541 11.002 ( 0.787 0.000 -12.299) 12.324 11.041 ( -2.161 0.000 -15.481) 15.631 12.099 ( 1.468 0.000 17.023) 17.087 12.140 ( -1.844 0.000 15.024) 15.137 12.481 ( 1.837 0.000 -0.020) 1.837 12.528 ( -1.962 0.000 1.116) 2.257 12.828 ( 2.826 0.000 -5.647) 6.315 12.896 ( -2.625 0.000 -11.857) 12.144 12.933 ( 0.249 0.000 -6.339) 6.344 12.948 ( -0.774 0.000 -6.360) 6.407 13.183 ( 2.071 0.000 9.809) 10.025 13.236 ( -2.138 0.000 8.302) 8.573 13.348 ( 1.117 0.000 -0.192) 1.134 13.375 ( -1.012 0.000 -0.520) 1.138 13.405 ( 6.804 0.000 9.083) 11.349 13.563 ( -5.943 0.000 5.861) 8.347 13.745 ( 1.635 0.000 -4.765) 5.038 13.785 ( -1.558 0.000 -10.880) 10.991 14.180 ( 2.737 0.000 11.110) 11.442 14.255 ( -3.311 0.000 4.549) 5.626 14.272 ( 1.290 0.000 3.144) 3.398 14.317 ( -2.458 0.000 0.850) 2.600 14.451 ( 0.523 0.000 5.573) 5.598 14.463 ( -0.438 0.000 5.150) 5.169 14.495 ( 0.641 0.000 0.777) 1.007 14.526 ( -2.290 0.000 1.808) 2.917 14.576 ( -0.194 0.000 1.081) 1.098 14.588 ( -0.829 0.000 -1.531) 1.741 14.771 ( 4.791 0.000 -4.604) 6.644 14.864 ( -3.614 0.000 -9.193) 9.878 15.245 ( 10.453 0.000 -10.085) 14.525 15.283 ( 6.804 0.000 -2.571) 7.274 15.389 ( -2.191 0.000 -3.271) 3.937 15.491 ( -9.636 0.000 -10.850) 14.511 15.964 ( 4.740 0.000 0.602) 4.779 16.005 ( 1.191 0.000 -3.105) 3.326 16.029 ( -0.771 0.000 -5.317) 5.373 16.081 ( -4.371 0.000 4.543) 6.304 16.303 ( 10.449 0.000 18.496) 21.243 16.686 ( -21.690 0.000 14.094) 25.867 17.070 ( 1.463 0.000 -10.158) 10.263 17.087 ( 0.378 0.000 -3.372) 3.393 17.568 ( 11.407 0.000 7.061) 13.416 17.814 ( -8.272 0.000 4.367) 9.354 17.970 ( 0.685 0.000 -10.695) 10.717 18.035 ( -4.099 0.000 -6.067) 7.321 18.598 ( 10.462 0.000 11.030) 15.202 18.835 ( -8.300 0.000 10.990) 13.772 19.103 ( 11.838 0.000 -9.074) 14.915 19.414 ( -14.055 0.000 -9.895) 17.189 20.254 ( 10.679 0.000 2.842) 11.051 20.361 ( 10.851 0.000 -2.605) 11.160 20.459 ( -6.410 0.000 -5.478) 8.431 20.594 ( -7.969 0.000 -14.732) 16.749 21.224 ( 7.400 0.000 8.321) 11.136 21.444 ( -10.457 0.000 3.406) 10.998 21.640 ( 3.366 0.000 -10.751) 11.266 21.742 ( -3.706 0.000 -9.020) 9.752 22.102 ( 6.144 0.000 3.664) 7.153 22.224 ( -4.005 0.000 2.255) 4.597 22.381 ( 0.533 0.000 -10.008) 10.022 22.438 ( -3.228 0.000 -9.013) 9.574 22.833 ( 4.448 0.000 7.380) 8.617 22.932 ( -3.586 0.000 8.289) 9.031 23.161 ( 6.835 0.000 -10.632) 12.639 23.297 ( -4.401 0.000 -10.827) 11.687 ======================= Grid point 63 (27/36) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 2.548 15.732) 15.937 2.292 ( 0.000 -3.005 20.870) 21.085 2.381 ( 0.000 0.223 14.367) 14.369 2.385 ( 0.000 -2.476 9.045) 9.377 2.467 ( 0.000 -4.027 14.532) 15.080 2.610 ( 0.000 4.593 -0.305) 4.603 2.621 ( 0.000 -4.689 -1.454) 4.909 2.735 ( 0.000 -5.206 5.476) 7.555 2.750 ( 0.000 0.011 3.648) 3.648 2.786 ( 0.000 -4.196 -2.902) 5.102 2.850 ( 0.000 -2.950 -8.029) 8.554 2.853 ( 0.000 1.818 2.415) 3.023 2.925 ( 0.000 -10.101 -4.129) 10.913 3.010 ( 0.000 -6.949 4.977) 8.547 3.090 ( 0.000 -8.144 -11.446) 14.047 3.119 ( 0.000 -7.254 0.227) 7.257 3.191 ( 0.000 7.043 11.250) 13.273 3.432 ( 0.000 -1.868 6.488) 6.751 3.505 ( 0.000 1.871 1.481) 2.386 3.506 ( 0.000 -4.303 6.743) 7.999 3.548 ( 0.000 5.778 2.492) 6.292 3.610 ( 0.000 1.512 7.239) 7.395 3.674 ( 0.000 3.671 -0.039) 3.671 3.734 ( 0.000 4.283 -1.389) 4.503 3.800 ( 0.000 2.355 -0.618) 2.435 3.810 ( 0.000 1.474 -0.310) 1.506 3.853 ( 0.000 2.877 -3.587) 4.598 3.912 ( 0.000 1.386 -2.981) 3.287 4.021 ( 0.000 3.094 5.411) 6.232 4.101 ( 0.000 3.763 4.290) 5.707 4.139 ( 0.000 0.005 2.975) 2.975 4.158 ( 0.000 6.680 -1.805) 6.920 4.270 ( 0.000 -1.681 -1.876) 2.519 4.297 ( 0.000 1.549 -1.194) 1.956 4.420 ( 0.000 4.455 -7.457) 8.686 4.473 ( 0.000 2.007 -5.447) 5.805 4.564 ( 0.000 3.572 -4.138) 5.467 4.633 ( 0.000 -0.456 -12.032) 12.040 4.706 ( 0.000 1.027 -9.458) 9.513 4.754 ( 0.000 -0.880 -19.954) 19.973 4.800 ( 0.000 2.332 -4.058) 4.680 4.924 ( 0.000 4.576 -3.563) 5.799 5.059 ( 0.000 -5.455 5.643) 7.849 5.075 ( 0.000 1.165 3.951) 4.119 5.220 ( 0.000 3.942 1.002) 4.068 5.366 ( 0.000 0.194 2.922) 2.929 5.510 ( 0.000 -2.894 4.719) 5.536 5.529 ( 0.000 -3.587 6.266) 7.220 5.603 ( 0.000 0.170 4.992) 4.995 5.649 ( 0.000 -1.470 7.182) 7.331 5.684 ( 0.000 4.992 8.208) 9.607 5.761 ( 0.000 -6.391 5.219) 8.251 5.771 ( 0.000 -2.519 4.294) 4.979 5.934 ( 0.000 -4.146 14.526) 15.106 5.998 ( 0.000 2.631 -0.333) 2.652 6.054 ( 0.000 -1.276 12.788) 12.852 6.065 ( 0.000 -1.525 10.115) 10.230 6.124 ( 0.000 1.139 5.043) 5.170 6.145 ( 0.000 1.549 5.334) 5.554 6.183 ( 0.000 -2.304 -0.894) 2.471 6.278 ( 0.000 1.885 -3.378) 3.868 6.392 ( 0.000 -2.173 -1.068) 2.421 6.459 ( 0.000 -2.026 0.923) 2.227 6.548 ( 0.000 -5.946 5.480) 8.086 6.674 ( 0.000 0.694 -8.925) 8.952 6.748 ( 0.000 -1.949 -6.670) 6.949 6.770 ( 0.000 1.785 4.685) 5.013 6.817 ( 0.000 0.736 -4.258) 4.321 6.843 ( 0.000 3.070 0.762) 3.163 6.861 ( 0.000 4.448 -0.898) 4.538 6.908 ( 0.000 2.053 -3.734) 4.261 7.001 ( 0.000 -2.061 -5.210) 5.603 7.017 ( 0.000 -1.315 7.542) 7.656 7.140 ( 0.000 -4.679 6.401) 7.929 7.253 ( 0.000 3.716 6.125) 7.164 7.390 ( 0.000 -1.755 6.779) 7.002 7.452 ( 0.000 3.653 5.844) 6.892 7.509 ( 0.000 1.478 -4.692) 4.919 7.606 ( 0.000 -0.602 -6.893) 6.919 7.624 ( 0.000 4.267 -0.144) 4.270 7.678 ( 0.000 -1.045 0.227) 1.069 7.736 ( 0.000 -0.273 0.881) 0.922 7.752 ( 0.000 1.046 -1.595) 1.907 7.822 ( 0.000 -1.173 -4.210) 4.370 7.898 ( 0.000 -1.049 2.424) 2.641 7.940 ( 0.000 -4.250 10.359) 11.197 8.166 ( 0.000 1.291 1.236) 1.787 8.211 ( 0.000 -0.319 -0.798) 0.859 8.260 ( 0.000 1.231 -3.475) 3.687 8.263 ( 0.000 0.960 -3.358) 3.493 8.306 ( 0.000 1.686 -7.687) 7.869 8.312 ( 0.000 1.264 4.391) 4.570 8.561 ( 0.000 1.815 3.247) 3.720 8.613 ( 0.000 2.974 0.641) 3.042 8.679 ( 0.000 -2.767 2.553) 3.765 8.888 ( 0.000 -5.853 -5.961) 8.354 8.963 ( 0.000 0.813 1.919) 2.084 9.026 ( 0.000 -1.672 0.482) 1.740 9.117 ( 0.000 1.554 -13.974) 14.060 9.183 ( 0.000 -0.718 -14.251) 14.269 9.724 ( 0.000 0.202 10.395) 10.397 9.774 ( 0.000 2.342 0.745) 2.458 9.798 ( 0.000 -2.817 7.257) 7.784 9.896 ( 0.000 3.086 2.071) 3.716 9.910 ( 0.000 -2.172 -1.504) 2.642 9.942 ( 0.000 1.364 1.890) 2.330 9.990 ( 0.000 1.000 -1.284) 1.627 10.087 ( 0.000 -2.652 1.280) 2.945 10.298 ( 0.000 3.230 1.770) 3.683 10.459 ( 0.000 -2.767 4.462) 5.250 10.803 ( 0.000 -0.365 -3.867) 3.884 10.816 ( 0.000 -0.828 -4.989) 5.058 10.880 ( 0.000 1.589 -18.315) 18.383 10.893 ( 0.000 1.112 -12.217) 12.268 10.998 ( 0.000 0.093 -11.452) 11.452 11.050 ( 0.000 -1.731 -15.898) 15.992 12.089 ( 0.000 0.699 17.343) 17.357 12.146 ( 0.000 -1.460 14.448) 14.522 12.482 ( 0.000 1.899 -0.441) 1.950 12.548 ( 0.000 -0.622 1.106) 1.269 12.795 ( 0.000 0.587 -3.893) 3.937 12.875 ( 0.000 -2.672 -10.472) 10.808 12.979 ( 0.000 1.879 -11.046) 11.205 12.982 ( 0.000 1.770 -8.091) 8.283 13.172 ( 0.000 1.054 10.443) 10.496 13.241 ( 0.000 -1.539 8.427) 8.566 13.333 ( 0.000 -0.021 1.100) 1.100 13.333 ( 0.000 0.820 8.290) 8.331 13.396 ( 0.000 1.270 0.857) 1.532 13.559 ( 0.000 -4.939 4.942) 6.987 13.766 ( 0.000 1.971 -4.800) 5.189 13.801 ( 0.000 -0.234 -12.918) 12.921 14.175 ( 0.000 3.138 12.285) 12.680 14.295 ( 0.000 3.138 5.362) 6.213 14.352 ( 0.000 4.702 -0.203) 4.707 14.398 ( 0.000 -4.009 10.270) 11.025 14.410 ( 0.000 3.654 0.669) 3.715 14.438 ( 0.000 -2.465 4.371) 5.018 14.496 ( 0.000 -0.005 0.734) 0.734 14.554 ( 0.000 -2.690 2.253) 3.509 14.576 ( 0.000 -0.935 2.367) 2.545 14.581 ( 0.000 -1.015 -1.442) 1.763 14.735 ( 0.000 4.566 -3.784) 5.930 14.895 ( 0.000 -2.339 -10.087) 10.354 15.096 ( 0.000 2.430 -5.790) 6.279 15.291 ( 0.000 7.775 -10.423) 13.003 15.400 ( 0.000 -2.242 -5.573) 6.008 15.527 ( 0.000 -6.091 -11.710) 13.200 15.925 ( 0.000 0.826 1.536) 1.744 15.944 ( 0.000 -2.212 4.363) 4.891 16.022 ( 0.000 -0.895 -3.837) 3.940 16.120 ( 0.000 -3.759 -3.951) 5.453 16.251 ( 0.000 7.377 24.905) 25.974 16.824 ( 0.000 -14.082 9.874) 17.199 17.080 ( 0.000 2.630 -11.401) 11.700 17.178 ( 0.000 1.841 -7.403) 7.628 17.404 ( 0.000 2.702 12.309) 12.603 17.763 ( 0.000 -18.063 8.615) 20.012 17.921 ( 0.000 1.837 1.263) 2.230 17.979 ( 0.000 -0.145 -12.063) 12.064 18.566 ( 0.000 5.166 9.956) 11.217 18.861 ( 0.000 -6.084 12.696) 14.078 19.135 ( 0.000 12.465 -13.404) 18.304 19.560 ( 0.000 -5.972 -14.999) 16.144 20.110 ( 0.000 2.312 9.584) 9.859 20.199 ( 0.000 -1.287 4.990) 5.153 20.561 ( 0.000 2.674 -11.493) 11.801 20.674 ( 0.000 -1.290 -18.514) 18.559 21.240 ( 0.000 8.153 7.407) 11.016 21.555 ( 0.000 -3.825 -0.861) 3.921 21.643 ( 0.000 2.656 -10.812) 11.133 21.755 ( 0.000 -1.474 -7.280) 7.428 22.032 ( 0.000 2.498 6.652) 7.106 22.222 ( 0.000 -4.141 2.728) 4.959 22.399 ( 0.000 0.111 -11.185) 11.185 22.451 ( 0.000 -2.135 -9.030) 9.279 22.815 ( 0.000 3.281 6.405) 7.196 22.952 ( 0.000 -2.051 8.029) 8.287 23.102 ( 0.000 3.672 -9.639) 10.315 23.304 ( 0.000 -3.781 -10.241) 10.916 ======================= Grid point 64 (28/36) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 3.305 2.114 17.983) 18.406 2.260 ( -5.629 -0.114 18.439) 19.280 2.345 ( 2.504 -1.498 18.427) 18.657 2.425 ( -2.902 -3.868 14.726) 15.500 2.472 ( 5.302 -2.139 9.254) 10.878 2.605 ( -4.180 -0.494 6.575) 7.807 2.651 ( 2.131 -1.428 -0.944) 2.733 2.675 ( -0.080 -3.363 -2.934) 4.464 2.756 ( -0.332 -1.888 -2.151) 2.882 2.799 ( -2.234 -0.060 -1.745) 2.835 2.848 ( 2.117 -3.997 3.482) 5.708 2.882 ( 1.557 -6.224 0.794) 6.465 2.942 ( 1.351 -6.416 -4.288) 7.834 2.997 ( -1.509 -3.130 -0.403) 3.498 3.062 ( -1.093 -9.048 -5.844) 10.826 3.087 ( -2.402 -6.749 -3.278) 7.879 3.234 ( 3.763 4.196 9.626) 11.154 3.343 ( -5.413 0.302 7.691) 9.410 3.500 ( -0.232 0.228 4.070) 4.083 3.503 ( -0.324 0.578 2.324) 2.416 3.595 ( 4.098 1.942 3.927) 5.999 3.660 ( -0.094 0.744 4.792) 4.851 3.712 ( 2.944 4.003 -1.902) 5.320 3.739 ( 0.378 2.965 -2.347) 3.800 3.801 ( 0.082 3.373 -0.653) 3.437 3.809 ( -0.419 2.597 -0.418) 2.664 3.875 ( 1.360 2.640 -3.985) 4.969 3.902 ( -1.007 1.739 -2.247) 3.015 4.031 ( -1.278 1.498 5.132) 5.497 4.054 ( -3.639 2.623 3.818) 5.891 4.088 ( 2.670 5.218 1.431) 6.034 4.157 ( -0.901 3.264 -0.079) 3.387 4.359 ( 5.751 0.008 -2.559) 6.295 4.382 ( 3.560 2.820 1.390) 4.749 4.424 ( 1.361 2.363 -6.705) 7.238 4.522 ( 3.055 1.145 -6.490) 7.264 4.549 ( -7.696 0.204 -8.357) 11.363 4.566 ( 0.158 1.268 -8.961) 9.051 4.599 ( -2.312 0.799 -11.282) 11.544 4.669 ( -5.916 0.034 -10.744) 12.265 4.846 ( 3.209 3.043 -0.581) 4.461 4.962 ( -5.021 1.932 3.414) 6.371 5.048 ( 4.325 4.054 -4.370) 7.365 5.120 ( 1.087 -1.201 -0.078) 1.622 5.250 ( 4.465 0.728 1.055) 4.645 5.382 ( 1.663 -2.106 3.646) 4.527 5.412 ( -6.305 -2.452 3.616) 7.671 5.476 ( -4.116 -2.799 5.198) 7.197 5.632 ( 2.509 -1.097 4.918) 5.629 5.661 ( 1.096 1.964 6.577) 6.950 5.686 ( -0.622 3.415 6.655) 7.506 5.705 ( -3.362 -3.533 3.589) 6.055 5.861 ( 5.088 -3.603 4.365) 7.611 5.950 ( -0.495 -4.455 7.129) 8.421 5.971 ( -0.691 -0.656 8.468) 8.521 6.033 ( -2.391 -1.710 6.890) 7.491 6.095 ( -0.147 2.273 2.209) 3.173 6.122 ( -1.526 1.645 4.074) 4.651 6.152 ( 4.893 -2.369 8.150) 9.797 6.193 ( 2.660 -2.669 2.780) 4.682 6.290 ( -1.524 -0.671 -1.910) 2.534 6.322 ( -5.580 -3.756 2.633) 7.223 6.469 ( 5.442 1.512 5.121) 7.624 6.599 ( -4.763 2.678 -1.743) 5.736 6.665 ( 3.100 -1.708 -1.334) 3.783 6.699 ( -3.001 -1.484 0.291) 3.361 6.749 ( -1.358 1.424 -3.872) 4.343 6.784 ( -0.791 0.550 -3.863) 3.981 6.860 ( 3.968 -0.506 1.236) 4.187 6.902 ( 2.643 2.864 2.898) 4.856 6.975 ( 0.258 1.247 0.709) 1.458 7.004 ( -0.634 0.743 -3.669) 3.797 7.065 ( 3.052 -1.247 3.958) 5.152 7.123 ( -1.388 -2.628 9.118) 9.590 7.236 ( 0.620 0.942 7.100) 7.188 7.295 ( -4.518 -0.827 4.379) 6.346 7.481 ( 0.089 2.511 -0.246) 2.524 7.525 ( -0.072 0.812 -4.879) 4.947 7.569 ( -2.356 -0.422 -4.669) 5.246 7.590 ( -1.781 0.673 -2.117) 2.847 7.702 ( 1.171 -0.217 -3.215) 3.428 7.739 ( 0.057 1.799 -3.618) 4.041 7.743 ( 3.472 1.252 -0.728) 3.762 7.843 ( -2.652 0.947 -3.898) 4.809 7.929 ( 3.425 -1.369 8.573) 9.333 7.963 ( 0.904 -2.355 8.075) 8.460 8.153 ( -0.647 1.174 1.474) 1.992 8.172 ( -2.435 0.675 -2.204) 3.353 8.251 ( -0.225 -0.163 -0.833) 0.878 8.254 ( -0.511 -0.186 -0.801) 0.968 8.328 ( 1.213 0.379 -2.599) 2.893 8.335 ( 0.781 1.496 0.667) 1.815 8.583 ( 2.053 0.493 2.580) 3.333 8.629 ( -0.516 -0.739 0.992) 1.341 8.685 ( 2.691 1.684 0.253) 3.185 8.806 ( -6.039 -2.013 -4.407) 7.743 8.986 ( 1.593 0.087 1.127) 1.953 9.016 ( -0.892 -1.059 0.617) 1.516 9.136 ( 1.320 -0.791 -14.013) 14.097 9.167 ( -1.227 -1.327 -14.164) 14.279 9.748 ( 1.819 0.862 10.440) 10.632 9.785 ( -0.769 0.087 8.841) 8.875 9.840 ( 4.076 -0.510 0.443) 4.131 9.896 ( 0.011 -0.029 0.458) 0.459 9.927 ( 0.900 -0.262 -0.739) 1.194 9.935 ( -0.506 0.338 -0.985) 1.158 9.975 ( -0.617 0.749 -1.021) 1.408 10.025 ( -4.359 -0.329 1.395) 4.589 10.339 ( 3.242 1.515 2.703) 4.485 10.419 ( -3.193 -1.445 3.948) 5.279 10.802 ( 0.412 -0.864 -6.115) 6.189 10.818 ( -0.549 -0.477 -4.780) 4.835 10.889 ( 0.978 0.462 -15.092) 15.131 10.902 ( 0.161 1.342 -12.969) 13.039 11.006 ( 0.893 0.401 -12.581) 12.619 11.034 ( -1.226 -0.611 -14.987) 15.050 12.099 ( 0.969 0.113 16.826) 16.854 12.129 ( -1.355 -0.883 15.535) 15.619 12.498 ( 1.331 1.286 -0.213) 1.863 12.531 ( -1.339 0.172 0.489) 1.436 12.829 ( 2.521 0.197 -5.889) 6.409 12.871 ( -0.661 -1.579 -9.601) 9.753 12.946 ( -0.962 0.700 -7.196) 7.294 12.966 ( -2.038 1.169 -7.704) 8.055 13.186 ( 1.421 0.330 9.667) 9.777 13.224 ( -1.519 -1.012 8.538) 8.731 13.346 ( 1.608 -0.148 0.002) 1.615 13.372 ( -0.027 -0.255 -0.415) 0.487 13.417 ( 3.817 1.161 7.234) 8.261 13.520 ( -3.687 -3.106 5.482) 7.300 13.766 ( 0.485 1.198 -6.465) 6.593 13.788 ( -1.083 0.197 -10.363) 10.421 14.215 ( 3.047 3.267 10.239) 11.171 14.283 ( -2.135 2.913 6.029) 7.028 14.331 ( 0.449 3.998 4.837) 6.292 14.372 ( -2.456 3.793 3.032) 5.441 14.427 ( 1.064 -1.867 5.225) 5.650 14.438 ( -0.131 -2.120 4.579) 5.048 14.494 ( 0.019 -0.472 1.261) 1.346 14.509 ( -1.518 -1.417 1.654) 2.655 14.577 ( 0.866 0.349 0.098) 0.939 14.604 ( -0.720 1.091 -2.070) 2.448 14.784 ( 3.654 1.319 -5.155) 6.455 14.861 ( -2.721 -0.454 -8.885) 9.303 15.174 ( 5.889 -2.717 -5.115) 8.260 15.294 ( -2.549 -3.581 -5.125) 6.752 15.410 ( 2.210 3.108 -9.825) 10.539 15.481 ( -3.204 -0.616 -11.999) 12.435 15.924 ( 1.798 -2.169 2.454) 3.737 15.965 ( -0.710 -2.575 0.600) 2.738 16.050 ( 2.545 1.269 -3.395) 4.429 16.120 ( -2.370 1.734 -4.455) 5.336 16.302 ( 8.151 0.843 25.531) 26.814 16.615 ( -16.536 -6.431 18.139) 25.374 17.048 ( -0.746 -1.914 -4.035) 4.527 17.066 ( -1.791 -0.527 -7.714) 7.937 17.629 ( 10.664 3.964 3.778) 11.988 17.789 ( -1.925 -3.036 3.596) 5.084 17.946 ( 2.067 -1.873 -5.106) 5.818 17.992 ( 0.522 -1.064 -7.830) 7.919 18.581 ( 3.086 -0.947 13.885) 14.256 18.736 ( -8.656 -6.090 13.571) 17.210 19.210 ( 7.016 6.362 -11.340) 14.775 19.424 ( -10.125 0.373 -13.573) 16.937 20.216 ( 9.634 -2.406 4.721) 10.995 20.338 ( 5.143 -1.458 -0.714) 5.394 20.510 ( -2.872 3.328 -8.834) 9.867 20.595 ( -6.261 -0.222 -13.998) 15.336 21.286 ( 4.905 4.758 5.955) 9.065 21.446 ( -7.692 -0.095 2.283) 8.024 21.657 ( 2.204 1.341 -10.195) 10.516 21.734 ( -3.000 -0.659 -9.138) 9.641 22.114 ( 5.443 0.987 3.662) 6.634 22.204 ( -1.943 -1.493 2.195) 3.290 22.394 ( 0.396 0.896 -9.792) 9.841 22.429 ( -1.859 -0.634 -9.138) 9.347 22.847 ( 2.727 1.267 7.316) 7.910 22.917 ( -2.812 -1.295 7.984) 8.563 23.168 ( 4.701 0.880 -10.190) 11.257 23.266 ( -3.258 -2.558 -10.381) 11.177 ======================= Grid point 66 (29/36) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 -4.766 15.621) 16.332 2.196 ( 0.000 4.766 15.621) 16.332 2.387 ( 0.000 -0.096 11.738) 11.738 2.387 ( 0.000 0.096 11.738) 11.738 2.462 ( 0.000 -5.428 9.437) 10.887 2.462 ( 0.000 5.428 9.437) 10.887 2.700 ( 0.000 -3.508 -5.049) 6.148 2.700 ( 0.000 3.508 -5.049) 6.148 2.719 ( 0.000 -3.661 0.430) 3.686 2.719 ( 0.000 3.661 0.430) 3.686 2.794 ( 0.000 -3.327 4.725) 5.779 2.794 ( 0.000 3.327 4.725) 5.779 2.911 ( 0.000 -0.000 -4.203) 4.203 2.911 ( 0.000 0.000 -4.203) 4.203 3.011 ( 0.000 -2.726 -2.297) 3.565 3.011 ( 0.000 2.726 -2.297) 3.565 3.349 ( 0.000 -6.427 10.043) 11.923 3.349 ( 0.000 6.427 10.043) 11.923 3.476 ( 0.000 -1.807 7.489) 7.704 3.476 ( 0.000 1.807 7.489) 7.704 3.621 ( 0.000 -0.816 1.927) 2.093 3.621 ( 0.000 0.816 1.927) 2.093 3.743 ( 0.000 -1.693 -0.342) 1.727 3.743 ( 0.000 1.693 -0.342) 1.727 3.843 ( 0.000 -0.316 -0.693) 0.762 3.843 ( 0.000 0.316 -0.693) 0.762 3.909 ( 0.000 -1.606 -3.154) 3.540 3.909 ( 0.000 1.606 -3.154) 3.540 4.089 ( 0.000 -2.688 5.327) 5.967 4.089 ( 0.000 2.688 5.327) 5.967 4.185 ( 0.000 -1.855 -4.266) 4.652 4.185 ( 0.000 1.855 -4.266) 4.652 4.307 ( 0.000 -1.229 2.632) 2.904 4.307 ( 0.000 1.229 2.632) 2.904 4.494 ( 0.000 -1.034 -7.735) 7.804 4.494 ( 0.000 1.034 -7.735) 7.804 4.615 ( 0.000 -1.155 -8.997) 9.071 4.615 ( 0.000 1.155 -8.997) 9.071 4.735 ( 0.000 -0.645 -13.339) 13.355 4.735 ( 0.000 0.645 -13.339) 13.355 4.910 ( 0.000 -7.060 1.665) 7.254 4.910 ( 0.000 7.060 1.665) 7.254 5.033 ( 0.000 -4.812 -0.183) 4.815 5.033 ( 0.000 4.812 -0.183) 4.815 5.365 ( 0.000 -8.878 4.180) 9.813 5.365 ( 0.000 8.878 4.180) 9.813 5.425 ( 0.000 -4.656 5.255) 7.020 5.425 ( 0.000 4.656 5.255) 7.020 5.625 ( 0.000 -1.629 4.849) 5.115 5.625 ( 0.000 1.629 4.849) 5.115 5.709 ( 0.000 -2.093 4.547) 5.006 5.709 ( 0.000 2.093 4.547) 5.006 5.815 ( 0.000 -6.247 10.072) 11.852 5.815 ( 0.000 6.247 10.072) 11.852 6.041 ( 0.000 -0.060 12.383) 12.383 6.041 ( 0.000 0.060 12.383) 12.383 6.080 ( 0.000 -4.429 1.408) 4.647 6.080 ( 0.000 4.429 1.408) 4.647 6.158 ( 0.000 -0.156 -0.325) 0.361 6.158 ( 0.000 0.156 -0.325) 0.361 6.335 ( 0.000 -2.648 -1.125) 2.877 6.335 ( 0.000 2.648 -1.125) 2.877 6.454 ( 0.000 -1.025 6.233) 6.317 6.454 ( 0.000 1.025 6.233) 6.317 6.704 ( 0.000 -1.851 -7.664) 7.885 6.704 ( 0.000 1.851 -7.664) 7.885 6.810 ( 0.000 -1.129 -1.001) 1.509 6.810 ( 0.000 1.129 -1.001) 1.509 6.905 ( 0.000 -0.712 -2.086) 2.204 6.905 ( 0.000 0.712 -2.086) 2.204 6.954 ( 0.000 -1.920 -5.857) 6.164 6.954 ( 0.000 1.920 -5.857) 6.164 7.034 ( 0.000 -3.872 10.714) 11.392 7.034 ( 0.000 3.872 10.714) 11.392 7.334 ( 0.000 -2.839 7.262) 7.797 7.334 ( 0.000 2.839 7.262) 7.797 7.526 ( 0.000 -0.805 -5.535) 5.593 7.526 ( 0.000 0.805 -5.535) 5.593 7.615 ( 0.000 -2.939 -2.549) 3.891 7.615 ( 0.000 2.939 -2.549) 3.891 7.735 ( 0.000 -5.125 5.596) 7.588 7.735 ( 0.000 5.125 5.596) 7.588 7.758 ( 0.000 -0.333 -1.749) 1.780 7.758 ( 0.000 0.333 -1.749) 1.780 7.888 ( 0.000 -0.305 3.340) 3.354 7.888 ( 0.000 0.305 3.340) 3.354 8.193 ( 0.000 -1.118 1.509) 1.878 8.193 ( 0.000 1.118 1.509) 1.878 8.278 ( 0.000 -0.017 -4.114) 4.114 8.278 ( 0.000 0.017 -4.114) 4.114 8.328 ( 0.000 -0.018 -0.173) 0.174 8.328 ( 0.000 0.018 -0.173) 0.174 8.611 ( 0.000 -2.817 3.116) 4.201 8.611 ( 0.000 2.817 3.116) 4.201 8.734 ( 0.000 -7.432 -4.497) 8.687 8.734 ( 0.000 7.432 -4.497) 8.687 8.989 ( 0.000 -1.551 1.563) 2.202 8.989 ( 0.000 1.551 1.563) 2.202 9.156 ( 0.000 -1.716 -14.447) 14.549 9.156 ( 0.000 1.716 -14.447) 14.549 9.745 ( 0.000 -1.816 8.451) 8.644 9.745 ( 0.000 1.816 8.451) 8.644 9.843 ( 0.000 -3.406 -0.909) 3.526 9.843 ( 0.000 3.406 -0.909) 3.526 9.952 ( 0.000 -1.070 1.553) 1.886 9.952 ( 0.000 1.070 1.553) 1.886 10.023 ( 0.000 -2.437 1.590) 2.910 10.023 ( 0.000 2.437 1.590) 2.910 10.382 ( 0.000 -4.115 3.137) 5.174 10.382 ( 0.000 4.115 3.137) 5.174 10.803 ( 0.000 -0.188 -4.243) 4.247 10.803 ( 0.000 0.188 -4.243) 4.247 10.905 ( 0.000 -0.138 -15.551) 15.552 10.905 ( 0.000 0.138 -15.551) 15.552 11.011 ( 0.000 -1.376 -13.595) 13.664 11.011 ( 0.000 1.376 -13.595) 13.664 12.112 ( 0.000 -1.429 16.130) 16.193 12.112 ( 0.000 1.429 16.130) 16.193 12.523 ( 0.000 -1.645 0.307) 1.673 12.523 ( 0.000 1.645 0.307) 1.673 12.823 ( 0.000 -1.985 -7.167) 7.437 12.823 ( 0.000 1.985 -7.167) 7.437 13.005 ( 0.000 -0.036 -10.629) 10.629 13.005 ( 0.000 0.036 -10.629) 10.629 13.202 ( 0.000 -1.749 9.439) 9.599 13.202 ( 0.000 1.749 9.439) 9.599 13.336 ( 0.000 -0.098 3.040) 3.042 13.336 ( 0.000 0.098 3.040) 3.042 13.457 ( 0.000 -4.114 4.536) 6.124 13.457 ( 0.000 4.114 4.536) 6.124 13.792 ( 0.000 -0.627 -9.755) 9.775 13.792 ( 0.000 0.627 -9.755) 9.775 14.282 ( 0.000 -6.028 11.295) 12.803 14.282 ( 0.000 6.028 11.295) 12.803 14.372 ( 0.000 -3.581 5.292) 6.390 14.372 ( 0.000 3.581 5.292) 6.390 14.466 ( 0.000 -4.433 2.432) 5.056 14.466 ( 0.000 4.433 2.432) 5.056 14.476 ( 0.000 -2.720 -0.262) 2.732 14.476 ( 0.000 2.720 -0.262) 2.732 14.566 ( 0.000 -0.081 0.527) 0.533 14.566 ( 0.000 0.081 0.527) 0.533 14.830 ( 0.000 -3.626 -8.289) 9.048 14.830 ( 0.000 3.626 -8.289) 9.048 15.239 ( 0.000 -9.839 -4.888) 10.986 15.239 ( 0.000 9.839 -4.888) 10.986 15.435 ( 0.000 -4.460 -12.521) 13.292 15.435 ( 0.000 4.460 -12.521) 13.292 15.927 ( 0.000 -0.119 2.711) 2.714 15.927 ( 0.000 0.119 2.711) 2.714 16.037 ( 0.000 -2.658 -1.812) 3.217 16.037 ( 0.000 2.658 -1.812) 3.217 16.490 ( 0.000 -14.325 21.051) 25.463 16.490 ( 0.000 14.325 21.051) 25.463 17.150 ( 0.000 -3.183 -10.157) 10.644 17.150 ( 0.000 3.183 -10.157) 10.644 17.497 ( 0.000 -6.697 12.718) 14.374 17.497 ( 0.000 6.697 12.718) 14.374 17.964 ( 0.000 -1.374 -7.659) 7.782 17.964 ( 0.000 1.374 -7.659) 7.782 18.702 ( 0.000 -7.211 13.016) 14.880 18.702 ( 0.000 7.211 13.016) 14.880 19.384 ( 0.000 -9.344 -14.499) 17.249 19.384 ( 0.000 9.344 -14.499) 17.249 20.161 ( 0.000 -1.201 6.679) 6.786 20.161 ( 0.000 1.201 6.679) 6.786 20.627 ( 0.000 -2.930 -14.832) 15.119 20.627 ( 0.000 2.930 -14.832) 15.119 21.427 ( 0.000 -7.622 1.315) 7.735 21.427 ( 0.000 7.622 1.315) 7.735 21.708 ( 0.000 -2.580 -8.928) 9.294 21.708 ( 0.000 2.580 -8.928) 9.294 22.116 ( 0.000 -4.775 4.600) 6.630 22.116 ( 0.000 4.775 4.600) 6.630 22.412 ( 0.000 -1.125 -9.968) 10.031 22.412 ( 0.000 1.125 -9.968) 10.031 22.891 ( 0.000 -3.424 7.027) 7.816 22.891 ( 0.000 3.424 7.027) 7.816 23.202 ( 0.000 -5.126 -9.553) 10.842 23.202 ( 0.000 5.126 -9.553) 10.842 ======================= Grid point 68 (30/36) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 1.729 0.000 19.251) 19.328 2.240 ( 0.054 0.000 16.504) 16.504 2.339 ( -1.026 0.000 14.019) 14.057 2.376 ( -2.155 0.000 11.683) 11.880 2.475 ( 3.862 0.000 6.253) 7.349 2.533 ( 4.348 0.000 8.138) 9.227 2.605 ( -6.338 0.000 1.517) 6.517 2.643 ( -4.677 -0.000 5.925) 7.549 2.746 ( 2.807 0.000 -2.610) 3.833 2.761 ( 2.815 -0.000 -3.676) 4.630 2.798 ( -0.810 0.000 4.131) 4.209 2.811 ( -0.864 -0.000 -2.479) 2.625 2.901 ( 1.265 -0.000 -5.298) 5.447 2.949 ( 0.941 -0.000 -3.238) 3.372 2.961 ( -1.721 -0.000 -1.560) 2.323 3.002 ( -1.716 0.000 -2.753) 3.244 3.330 ( -0.146 0.000 9.634) 9.635 3.346 ( -1.276 -0.000 8.448) 8.543 3.465 ( 0.054 0.000 7.948) 7.949 3.471 ( -0.496 0.000 5.578) 5.600 3.635 ( 2.459 0.000 2.478) 3.491 3.673 ( 0.813 0.000 2.268) 2.410 3.756 ( 1.932 0.000 -2.445) 3.116 3.778 ( 1.016 0.000 -2.583) 2.776 3.834 ( 0.022 0.000 -0.262) 0.263 3.866 ( 0.304 0.000 -1.131) 1.171 3.908 ( 0.813 0.000 -3.458) 3.552 3.915 ( -0.819 -0.000 -1.740) 1.924 4.046 ( -1.462 0.000 3.225) 3.541 4.084 ( -3.197 0.000 4.518) 5.535 4.176 ( 1.533 0.000 -1.065) 1.866 4.181 ( 2.339 -0.000 -1.546) 2.804 4.368 ( 6.103 -0.000 0.870) 6.165 4.426 ( 3.205 0.000 2.635) 4.149 4.458 ( -0.951 0.000 -8.622) 8.674 4.509 ( -3.883 0.000 -10.918) 11.588 4.565 ( -0.606 0.000 -8.879) 8.900 4.594 ( -2.072 -0.000 -10.086) 10.296 4.613 ( -2.216 0.000 -7.785) 8.095 4.674 ( -4.922 0.000 -5.869) 7.659 4.922 ( 1.046 0.000 2.909) 3.091 4.954 ( 0.247 -0.000 5.124) 5.130 5.097 ( 4.300 0.000 -2.160) 4.812 5.120 ( 2.592 0.000 -2.929) 3.911 5.273 ( 0.163 0.000 0.035) 0.167 5.343 ( -2.926 -0.000 1.004) 3.093 5.391 ( -1.588 -0.000 5.067) 5.310 5.406 ( -3.018 0.000 4.014) 5.022 5.621 ( 0.784 0.000 5.202) 5.260 5.648 ( -0.446 -0.000 3.389) 3.418 5.715 ( 1.515 0.000 5.871) 6.064 5.744 ( 0.063 0.000 5.772) 5.772 5.801 ( 2.563 0.000 6.324) 6.824 5.865 ( -0.464 -0.000 4.010) 4.037 5.967 ( -1.311 0.000 8.679) 8.777 6.013 ( -3.558 -0.000 6.813) 7.686 6.114 ( 3.041 0.000 10.255) 10.697 6.129 ( -1.021 0.000 0.596) 1.182 6.150 ( -0.824 -0.097 2.129) 2.285 6.151 ( 3.621 0.097 5.483) 6.571 6.262 ( -3.814 0.000 3.058) 4.888 6.288 ( -2.241 0.000 -3.823) 4.431 6.487 ( 6.458 0.000 6.133) 8.906 6.637 ( -3.753 0.000 1.294) 3.970 6.651 ( 2.537 0.000 2.593) 3.627 6.670 ( -0.841 0.000 -9.286) 9.324 6.765 ( -2.078 0.000 -7.382) 7.669 6.792 ( -0.736 0.000 -1.527) 1.696 6.853 ( 3.166 0.000 1.908) 3.696 6.936 ( -2.642 0.000 0.521) 2.693 7.005 ( 4.366 0.000 -5.701) 7.181 7.018 ( 2.801 0.000 0.398) 2.830 7.047 ( 1.372 -0.000 7.344) 7.471 7.076 ( -1.130 0.000 10.888) 10.947 7.238 ( -0.820 0.000 6.483) 6.535 7.297 ( -5.077 0.000 5.127) 7.216 7.514 ( -3.489 0.000 -5.461) 6.481 7.528 ( -2.794 0.000 -5.973) 6.595 7.568 ( 1.682 0.000 -4.626) 4.922 7.596 ( 0.432 0.000 -1.833) 1.883 7.698 ( 1.822 0.000 1.238) 2.203 7.751 ( 1.388 0.000 5.858) 6.020 7.796 ( -0.069 0.000 -2.807) 2.808 7.835 ( -1.938 0.000 -4.084) 4.520 7.904 ( 5.469 0.000 7.028) 8.905 7.940 ( 2.039 0.000 5.773) 6.123 8.168 ( -1.139 0.000 2.204) 2.481 8.181 ( -2.083 0.000 -2.259) 3.072 8.250 ( -1.083 -0.000 -1.163) 1.589 8.251 ( -1.072 0.000 0.448) 1.162 8.333 ( 1.395 0.000 -1.550) 2.085 8.355 ( 0.086 0.000 -0.329) 0.340 8.588 ( 0.529 0.000 2.112) 2.177 8.622 ( -1.439 0.000 1.527) 2.098 8.733 ( 1.108 -0.000 -2.730) 2.947 8.750 ( 0.006 0.000 -4.034) 4.034 8.994 ( 0.342 -0.000 0.997) 1.054 8.995 ( 0.332 0.000 0.996) 1.050 9.138 ( -0.971 0.000 -14.213) 14.246 9.138 ( -1.002 -0.000 -13.642) 13.679 9.772 ( 1.602 -0.000 11.140) 11.255 9.775 ( 1.645 0.000 8.697) 8.851 9.830 ( 1.659 0.000 -0.818) 1.850 9.896 ( -1.732 0.000 0.058) 1.733 9.925 ( 0.669 0.000 -2.151) 2.253 9.941 ( -0.955 0.000 -0.264) 0.991 9.982 ( -0.241 -0.000 0.969) 0.999 10.023 ( -1.721 0.000 1.250) 2.127 10.380 ( -0.096 -0.001 3.382) 3.383 10.380 ( -0.123 0.001 3.055) 3.058 10.792 ( 0.359 0.000 -6.838) 6.848 10.812 ( -0.812 0.000 -5.431) 5.491 10.895 ( 0.997 0.000 -14.213) 14.248 10.920 ( -0.423 0.000 -12.399) 12.406 11.018 ( 0.465 -0.000 -13.947) 13.955 11.019 ( 0.373 0.000 -13.490) 13.495 12.104 ( 0.057 0.000 16.148) 16.148 12.114 ( -0.464 -0.000 16.524) 16.530 12.519 ( 0.338 -0.000 -0.230) 0.408 12.529 ( -0.209 0.000 -0.304) 0.369 12.841 ( 1.171 0.000 -7.633) 7.722 12.843 ( 1.296 -0.000 -6.955) 7.074 12.954 ( -1.569 0.000 -7.742) 7.899 12.981 ( -2.902 0.000 -8.363) 8.853 13.198 ( 0.057 -0.000 9.167) 9.167 13.202 ( -0.159 0.000 9.180) 9.181 13.345 ( 1.919 0.000 0.498) 1.983 13.368 ( 0.454 0.000 -0.882) 0.992 13.449 ( 0.133 0.000 5.539) 5.541 13.464 ( -0.560 -0.000 5.648) 5.676 13.779 ( -0.094 0.000 -8.816) 8.817 13.790 ( -0.630 0.000 -9.333) 9.354 14.293 ( 1.709 0.000 10.368) 10.508 14.317 ( 0.765 -0.000 11.464) 11.490 14.375 ( 0.595 0.000 4.813) 4.850 14.382 ( 0.675 -0.000 4.824) 4.871 14.427 ( -1.677 -0.000 4.167) 4.492 14.430 ( -2.206 0.000 4.259) 4.797 14.478 ( 0.048 0.000 0.740) 0.742 14.480 ( -0.180 -0.000 0.216) 0.281 14.591 ( 2.203 -0.000 -2.276) 3.167 14.613 ( 1.173 0.000 -1.679) 2.048 14.818 ( 0.570 0.000 -6.608) 6.632 14.842 ( -0.422 0.000 -8.264) 8.274 15.182 ( -2.467 0.000 -2.041) 3.202 15.190 ( -2.916 -0.000 -6.545) 7.165 15.462 ( 1.665 0.000 -14.466) 14.561 15.469 ( 1.179 0.000 -14.614) 14.662 15.899 ( 0.629 0.000 4.271) 4.318 15.931 ( -1.219 0.000 2.452) 2.738 16.065 ( 3.324 0.000 -2.358) 4.076 16.132 ( 1.840 0.000 -8.272) 8.475 16.346 ( -0.669 0.000 29.777) 29.784 16.492 ( -6.848 -0.000 24.176) 25.127 17.027 ( -2.528 0.000 -3.029) 3.945 17.060 ( -4.563 0.000 -7.801) 9.037 17.678 ( 10.503 0.000 1.864) 10.667 17.733 ( 10.377 0.000 4.777) 11.424 17.939 ( -1.214 0.000 -3.745) 3.936 17.985 ( -0.240 0.000 -9.807) 9.810 18.567 ( -3.334 0.000 19.290) 19.575 18.660 ( -7.954 -0.000 13.204) 15.415 19.291 ( 2.647 0.000 -11.091) 11.403 19.422 ( -5.228 0.000 -18.117) 18.856 20.186 ( 8.585 0.000 6.352) 10.679 20.319 ( 2.853 0.000 0.252) 2.864 20.564 ( -4.272 0.000 -12.509) 13.218 20.578 ( -3.048 -0.000 -11.704) 12.094 21.361 ( 0.743 0.000 3.535) 3.613 21.435 ( -3.381 -0.000 1.279) 3.615 21.678 ( 0.691 0.000 -9.253) 9.279 21.722 ( -1.957 -0.000 -9.708) 9.904 22.131 ( 3.774 0.000 3.650) 5.251 22.180 ( 0.798 0.000 2.431) 2.559 22.405 ( 0.499 0.000 -9.750) 9.763 22.421 ( -0.331 0.000 -9.338) 9.344 22.879 ( -0.334 -0.000 7.522) 7.529 22.886 ( -0.671 0.000 7.436) 7.466 23.203 ( 0.303 0.000 -9.894) 9.898 23.208 ( 0.074 -0.000 -9.793) 9.794 ======================= Grid point 75 (31/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 0.000 -16.486) 16.486 2.424 ( 0.000 0.000 16.486) 16.486 2.541 ( 0.000 0.000 -0.765) 0.765 2.541 ( 0.000 0.000 0.765) 0.765 2.643 ( 0.000 0.000 -10.857) 10.857 2.643 ( 0.000 0.000 10.857) 10.857 2.758 ( 0.000 0.000 -6.253) 6.253 2.758 ( 0.000 0.000 6.253) 6.253 2.792 ( 0.000 0.000 -21.824) 21.824 2.792 ( 0.000 0.000 21.824) 21.824 2.897 ( 0.000 0.000 -3.963) 3.963 2.897 ( 0.000 0.000 3.963) 3.963 2.971 ( 0.000 0.000 -13.408) 13.408 2.971 ( 0.000 0.000 13.408) 13.408 3.209 ( 0.000 0.000 -7.406) 7.406 3.209 ( 0.000 0.000 7.406) 7.406 3.271 ( 0.000 0.000 -6.772) 6.772 3.271 ( 0.000 0.000 6.772) 6.772 3.499 ( 0.000 0.000 -5.048) 5.048 3.499 ( 0.000 0.000 5.048) 5.048 3.632 ( 0.000 0.000 -0.827) 0.827 3.632 ( 0.000 0.000 0.827) 0.827 3.671 ( 0.000 0.000 -0.310) 0.310 3.671 ( 0.000 0.000 0.310) 0.310 3.772 ( 0.000 0.000 -1.510) 1.510 3.772 ( 0.000 0.000 1.510) 1.510 3.800 ( 0.000 0.000 -2.800) 2.800 3.800 ( 0.000 0.000 2.800) 2.800 4.091 ( 0.000 0.000 -3.252) 3.252 4.091 ( 0.000 0.000 3.252) 3.252 4.158 ( 0.000 0.000 -3.386) 3.386 4.158 ( 0.000 0.000 3.386) 3.386 4.250 ( 0.000 0.000 -7.516) 7.516 4.250 ( 0.000 0.000 7.516) 7.516 4.319 ( 0.000 0.000 -6.851) 6.851 4.319 ( 0.000 0.000 6.851) 6.851 4.500 ( 0.000 0.000 -2.370) 2.370 4.500 ( 0.000 0.000 2.370) 2.370 4.541 ( 0.000 0.000 -4.634) 4.634 4.541 ( 0.000 0.000 4.634) 4.634 4.770 ( 0.000 0.000 -4.205) 4.205 4.770 ( 0.000 0.000 4.205) 4.205 5.132 ( 0.000 0.000 -3.065) 3.065 5.132 ( 0.000 0.000 3.065) 3.065 5.301 ( 0.000 0.000 -7.628) 7.628 5.301 ( 0.000 0.000 7.628) 7.628 5.578 ( 0.000 0.000 -1.053) 1.053 5.578 ( 0.000 0.000 1.053) 1.053 5.694 ( 0.000 0.000 -2.030) 2.030 5.694 ( 0.000 0.000 2.030) 2.030 5.848 ( 0.000 0.000 -6.185) 6.185 5.848 ( 0.000 0.000 6.185) 6.185 5.883 ( 0.000 0.000 -5.774) 5.774 5.883 ( 0.000 0.000 5.774) 5.774 6.160 ( 0.000 0.000 -3.116) 3.116 6.160 ( 0.000 0.000 3.116) 3.116 6.182 ( 0.000 0.000 -4.638) 4.638 6.182 ( 0.000 0.000 4.638) 4.638 6.212 ( 0.000 0.000 -3.924) 3.924 6.212 ( 0.000 0.000 3.924) 3.924 6.431 ( 0.000 0.000 -17.947) 17.947 6.431 ( 0.000 0.000 17.947) 17.947 6.476 ( 0.000 0.000 -0.997) 0.997 6.476 ( 0.000 0.000 0.997) 0.997 6.610 ( 0.000 0.000 -9.331) 9.331 6.610 ( 0.000 0.000 9.331) 9.331 6.733 ( 0.000 0.000 -4.476) 4.476 6.733 ( 0.000 0.000 4.476) 4.476 6.849 ( 0.000 0.000 -3.070) 3.070 6.849 ( 0.000 0.000 3.070) 3.070 6.940 ( 0.000 0.000 -3.955) 3.955 6.940 ( 0.000 0.000 3.955) 3.955 7.242 ( 0.000 0.000 -9.710) 9.710 7.242 ( 0.000 0.000 9.710) 9.710 7.357 ( 0.000 0.000 -7.899) 7.899 7.357 ( 0.000 0.000 7.899) 7.899 7.412 ( 0.000 0.000 -0.126) 0.126 7.412 ( 0.000 0.000 0.126) 0.126 7.603 ( 0.000 0.000 -8.681) 8.681 7.603 ( 0.000 0.000 8.681) 8.681 7.711 ( 0.000 0.000 -4.357) 4.357 7.711 ( 0.000 0.000 4.357) 4.357 7.752 ( 0.000 0.000 -2.417) 2.417 7.752 ( 0.000 0.000 2.417) 2.417 8.029 ( 0.000 0.000 -10.911) 10.911 8.029 ( 0.000 0.000 10.911) 10.911 8.171 ( 0.000 0.000 -1.657) 1.657 8.171 ( 0.000 0.000 1.657) 1.657 8.196 ( 0.000 0.000 -1.231) 1.231 8.196 ( 0.000 0.000 1.231) 1.231 8.266 ( 0.000 0.000 -8.173) 8.173 8.266 ( 0.000 0.000 8.173) 8.173 8.616 ( 0.000 0.000 -3.046) 3.046 8.616 ( 0.000 0.000 3.046) 3.046 8.823 ( 0.000 0.000 -7.479) 7.479 8.823 ( 0.000 0.000 7.479) 7.479 8.953 ( 0.000 0.000 -0.451) 0.451 8.953 ( 0.000 0.000 0.451) 0.451 9.018 ( 0.000 0.000 -1.010) 1.010 9.018 ( 0.000 0.000 1.010) 1.010 9.811 ( 0.000 0.000 -1.554) 1.554 9.811 ( 0.000 0.000 1.554) 1.554 9.883 ( 0.000 0.000 -0.541) 0.541 9.883 ( 0.000 0.000 0.541) 0.541 9.920 ( 0.000 0.000 -3.132) 3.132 9.920 ( 0.000 0.000 3.132) 3.132 10.078 ( 0.000 0.000 -5.413) 5.413 10.078 ( 0.000 0.000 5.413) 5.413 10.459 ( 0.000 0.000 -18.004) 18.004 10.459 ( 0.000 0.000 18.004) 18.004 10.650 ( 0.000 0.000 -10.917) 10.917 10.650 ( 0.000 0.000 10.917) 10.917 10.827 ( 0.000 0.000 -6.278) 6.278 10.827 ( 0.000 0.000 6.278) 6.278 10.834 ( 0.000 0.000 -4.583) 4.583 10.834 ( 0.000 0.000 4.583) 4.583 12.378 ( 0.000 0.000 -7.691) 7.691 12.378 ( 0.000 0.000 7.691) 7.691 12.429 ( 0.000 0.000 -15.464) 15.464 12.429 ( 0.000 0.000 15.464) 15.464 12.799 ( 0.000 0.000 -3.940) 3.940 12.799 ( 0.000 0.000 3.940) 3.940 12.826 ( 0.000 0.000 -5.534) 5.534 12.826 ( 0.000 0.000 5.534) 5.534 13.306 ( 0.000 0.000 -3.921) 3.921 13.306 ( 0.000 0.000 3.921) 3.921 13.366 ( 0.000 0.000 -2.620) 2.620 13.366 ( 0.000 0.000 2.620) 2.620 13.539 ( 0.000 0.000 -12.206) 12.206 13.539 ( 0.000 0.000 12.206) 12.206 13.693 ( 0.000 0.000 -1.733) 1.733 13.693 ( 0.000 0.000 1.733) 1.733 14.297 ( 0.000 0.000 -0.023) 0.023 14.297 ( 0.000 0.000 0.023) 0.023 14.333 ( 0.000 0.000 -3.224) 3.224 14.333 ( 0.000 0.000 3.224) 3.224 14.492 ( 0.000 0.000 -0.241) 0.241 14.492 ( 0.000 0.000 0.241) 0.241 14.594 ( 0.000 0.000 -4.605) 4.605 14.594 ( 0.000 0.000 4.605) 4.605 14.620 ( 0.000 0.000 -0.166) 0.166 14.620 ( 0.000 0.000 0.166) 0.166 14.684 ( 0.000 0.000 -12.711) 12.711 14.684 ( 0.000 0.000 12.712) 12.712 15.045 ( 0.000 0.000 -5.791) 5.791 15.045 ( 0.000 0.000 5.791) 5.791 15.415 ( 0.000 0.000 -4.919) 4.919 15.415 ( 0.000 0.000 4.919) 4.919 15.962 ( 0.000 0.000 -2.928) 2.928 15.962 ( 0.000 0.000 2.928) 2.928 16.052 ( 0.000 0.000 -5.220) 5.220 16.052 ( 0.000 0.000 5.220) 5.220 16.698 ( 0.000 0.000 -22.869) 22.869 16.698 ( 0.000 0.000 22.869) 22.869 17.072 ( 0.000 0.000 -0.588) 0.588 17.072 ( 0.000 0.000 0.588) 0.588 17.687 ( 0.000 0.000 -16.194) 16.194 17.687 ( 0.000 0.000 16.194) 16.194 17.990 ( 0.000 0.000 -5.381) 5.381 17.990 ( 0.000 0.000 5.381) 5.381 18.720 ( 0.000 0.000 -13.018) 13.018 18.720 ( 0.000 0.000 13.018) 13.018 19.257 ( 0.000 0.000 -19.478) 19.478 19.257 ( 0.000 0.000 19.478) 19.478 20.340 ( 0.000 0.000 -14.907) 14.907 20.340 ( 0.000 0.000 14.907) 14.907 20.343 ( 0.000 0.000 -8.284) 8.284 20.343 ( 0.000 0.000 8.284) 8.284 21.376 ( 0.000 0.000 -11.985) 11.985 21.376 ( 0.000 0.000 11.985) 11.985 21.645 ( 0.000 0.000 -5.266) 5.266 21.645 ( 0.000 0.000 5.266) 5.266 22.180 ( 0.000 0.000 -10.073) 10.073 22.180 ( 0.000 0.000 10.073) 10.073 22.341 ( 0.000 0.000 -5.063) 5.063 22.341 ( 0.000 0.000 5.063) 5.063 22.898 ( 0.000 0.000 -6.648) 6.648 22.898 ( 0.000 0.000 6.648) 6.648 23.148 ( 0.000 0.000 -9.214) 9.214 23.148 ( 0.000 0.000 9.214) 9.214 ======================= Grid point 77 (32/36) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 3.921 0.000 -16.002) 16.475 2.473 ( 3.921 0.000 16.002) 16.475 2.566 ( -2.342 0.000 -11.126) 11.370 2.566 ( -2.342 0.000 11.126) 11.370 2.618 ( 2.618 0.000 -0.311) 2.636 2.618 ( 2.618 0.000 0.311) 2.636 2.719 ( -3.989 0.000 -4.401) 5.940 2.719 ( -3.989 0.000 4.401) 5.940 2.815 ( 1.991 0.000 -19.297) 19.399 2.815 ( 1.991 0.000 19.297) 19.399 2.860 ( -1.802 0.000 -13.285) 13.407 2.860 ( -1.802 0.000 13.285) 13.407 3.025 ( 3.680 0.000 -7.726) 8.557 3.025 ( 3.680 0.000 7.726) 8.557 3.127 ( -4.878 0.000 -4.368) 6.548 3.127 ( -4.878 0.000 4.368) 6.548 3.340 ( 4.027 0.000 -2.150) 4.565 3.340 ( 4.027 0.000 2.150) 4.565 3.437 ( -4.278 0.000 -0.417) 4.298 3.437 ( -4.278 0.000 0.417) 4.298 3.659 ( 1.954 0.000 -1.100) 2.242 3.659 ( 1.954 0.000 1.100) 2.242 3.689 ( 0.178 0.000 -1.183) 1.196 3.689 ( 0.178 0.000 1.183) 1.196 3.768 ( 0.739 0.000 -1.467) 1.643 3.768 ( 0.739 0.000 1.467) 1.643 3.799 ( -0.801 0.000 -3.038) 3.142 3.799 ( -0.801 0.000 3.038) 3.142 4.089 ( 0.395 0.000 -4.179) 4.198 4.089 ( 0.395 0.000 4.179) 4.198 4.122 ( -2.197 0.000 -3.615) 4.230 4.122 ( -2.197 0.000 3.615) 4.230 4.313 ( 4.539 0.000 -4.579) 6.447 4.313 ( 4.539 0.000 4.579) 6.447 4.374 ( 3.346 0.000 -1.993) 3.894 4.374 ( 3.346 0.000 1.993) 3.894 4.449 ( -4.502 0.000 -1.241) 4.670 4.449 ( -4.502 0.000 1.241) 4.670 4.478 ( -2.802 0.000 -4.470) 5.276 4.478 ( -2.802 0.000 4.470) 5.276 4.865 ( 6.631 0.000 -6.193) 9.073 4.865 ( 6.631 0.000 6.193) 9.073 5.035 ( -7.412 0.000 -5.722) 9.363 5.035 ( -7.412 0.000 5.722) 9.363 5.375 ( 5.988 0.000 -5.020) 7.814 5.375 ( 5.988 0.000 5.020) 7.814 5.515 ( -5.162 0.000 -1.647) 5.419 5.515 ( -5.162 0.000 1.647) 5.419 5.717 ( 1.523 0.000 -0.092) 1.525 5.717 ( 1.523 0.000 0.092) 1.525 5.768 ( -3.088 0.000 -3.891) 4.967 5.768 ( -3.088 0.000 3.891) 4.967 5.976 ( 4.250 0.000 -4.339) 6.074 5.976 ( 4.250 0.000 4.339) 6.074 6.079 ( -4.794 0.000 -2.001) 5.195 6.079 ( -4.794 0.000 2.001) 5.195 6.169 ( -0.149 0.000 -4.886) 4.888 6.169 ( -0.149 0.000 4.886) 4.888 6.189 ( -1.664 0.000 -4.652) 4.940 6.189 ( -1.664 0.000 4.652) 4.940 6.484 ( 3.357 0.000 -11.451) 11.933 6.484 ( 3.357 0.000 11.451) 11.933 6.522 ( 2.295 0.000 -6.949) 7.319 6.522 ( 2.295 0.000 6.949) 7.319 6.606 ( -0.470 0.000 -7.397) 7.411 6.606 ( -0.470 0.000 7.397) 7.411 6.671 ( -4.260 0.000 -0.740) 4.324 6.671 ( -4.260 0.000 0.740) 4.324 6.907 ( 5.075 0.000 -2.235) 5.545 6.907 ( 5.075 0.000 2.235) 5.545 6.979 ( 0.520 0.000 -0.972) 1.102 6.979 ( 0.520 0.000 0.972) 1.102 7.288 ( 4.091 0.000 -6.986) 8.096 7.288 ( 4.091 0.000 6.986) 8.096 7.403 ( -2.603 0.000 -4.482) 5.183 7.403 ( -2.603 0.000 4.482) 5.183 7.410 ( 3.717 0.000 -2.712) 4.602 7.410 ( 3.717 0.000 2.712) 4.601 7.532 ( -4.615 0.000 -0.307) 4.625 7.532 ( -4.615 0.000 0.307) 4.625 7.618 ( -2.100 0.000 -0.265) 2.117 7.618 ( -2.100 0.000 0.265) 2.117 7.693 ( -4.975 0.000 -6.057) 7.839 7.693 ( -4.975 0.000 6.058) 7.839 8.096 ( 3.585 0.000 -5.054) 6.197 8.096 ( 3.585 0.000 5.054) 6.197 8.151 ( -1.378 0.000 -0.214) 1.395 8.151 ( -1.378 0.000 0.214) 1.395 8.249 ( 2.754 0.000 -1.613) 3.192 8.249 ( 2.754 0.000 1.613) 3.192 8.278 ( 0.248 0.000 -6.365) 6.370 8.278 ( 0.248 0.000 6.365) 6.370 8.649 ( 3.154 0.000 -3.156) 4.461 8.649 ( 3.154 0.000 3.156) 4.461 8.750 ( -4.992 0.000 -5.090) 7.129 8.750 ( -4.992 0.000 5.090) 7.129 8.981 ( 1.580 0.000 -1.254) 2.017 8.981 ( 1.580 0.000 1.254) 2.017 9.009 ( -0.813 0.000 -1.153) 1.411 9.009 ( -0.813 0.000 1.153) 1.411 9.849 ( 2.401 0.000 -1.578) 2.873 9.849 ( 2.401 0.000 1.579) 2.873 9.881 ( -0.502 0.000 -2.697) 2.744 9.881 ( -0.502 0.000 2.697) 2.744 9.935 ( 2.081 0.000 -0.823) 2.238 9.935 ( 2.081 0.000 0.823) 2.238 10.020 ( -4.269 0.000 -3.251) 5.366 10.020 ( -4.269 0.000 3.251) 5.366 10.514 ( 4.053 0.000 -16.400) 16.893 10.514 ( 4.053 0.000 16.400) 16.894 10.607 ( -3.514 0.000 -13.083) 13.547 10.607 ( -3.514 0.000 13.083) 13.547 10.825 ( 0.128 0.000 -5.179) 5.181 10.825 ( 0.128 0.000 5.179) 5.181 10.832 ( -0.292 0.000 -4.778) 4.786 10.832 ( -0.292 0.000 4.778) 4.786 12.392 ( 1.109 0.000 -9.633) 9.697 12.392 ( 1.109 0.000 9.633) 9.697 12.418 ( -0.944 0.000 -13.373) 13.406 12.418 ( -0.944 0.000 13.373) 13.406 12.805 ( 0.577 0.000 -4.023) 4.064 12.805 ( 0.577 0.000 4.023) 4.064 12.820 ( -0.558 0.000 -4.650) 4.684 12.820 ( -0.558 0.000 4.650) 4.684 13.315 ( 1.014 0.000 -3.726) 3.861 13.315 ( 1.014 0.000 3.726) 3.861 13.348 ( -1.460 0.000 -2.922) 3.267 13.348 ( -1.460 0.000 2.922) 3.267 13.583 ( 3.343 0.000 -9.252) 9.838 13.583 ( 3.343 0.000 9.252) 9.838 13.660 ( -2.803 0.000 -4.130) 4.991 13.660 ( -2.803 0.000 4.130) 4.991 14.301 ( 0.413 0.000 -0.588) 0.718 14.301 ( 0.413 0.000 0.588) 0.718 14.318 ( -1.005 0.000 -2.032) 2.267 14.318 ( -1.005 0.000 2.032) 2.267 14.501 ( 0.891 0.000 -0.463) 1.004 14.501 ( 0.891 0.000 0.463) 1.004 14.542 ( -2.734 0.000 -0.519) 2.783 14.542 ( -2.734 0.000 0.519) 2.783 14.642 ( 1.025 0.000 -6.123) 6.209 14.642 ( 1.025 0.000 6.123) 6.209 14.664 ( -1.014 0.000 -9.939) 9.990 14.664 ( -1.014 0.000 9.939) 9.990 15.188 ( 9.428 0.000 -3.468) 10.046 15.188 ( 9.428 0.000 3.468) 10.046 15.363 ( -4.996 0.000 -1.877) 5.337 15.363 ( -4.996 0.000 1.877) 5.337 15.968 ( 1.051 0.000 -1.207) 1.600 15.968 ( 1.051 0.000 1.207) 1.600 16.017 ( -2.687 0.000 -3.581) 4.477 16.017 ( -2.687 0.000 3.581) 4.477 16.770 ( 6.394 0.000 -20.403) 21.382 16.770 ( 6.394 0.000 20.403) 21.382 16.959 ( -8.658 0.000 -10.355) 13.498 16.959 ( -8.658 0.000 10.355) 13.498 17.749 ( 6.052 0.000 -10.784) 12.366 17.749 ( 6.052 0.000 10.784) 12.366 17.915 ( -6.629 0.000 -5.735) 8.765 17.915 ( -6.629 0.000 5.735) 8.765 18.862 ( 11.101 0.000 -14.096) 17.943 18.862 ( 11.101 0.000 14.096) 17.943 19.128 ( -10.339 0.000 -16.766) 19.697 19.128 ( -10.339 0.000 16.766) 19.697 20.356 ( 1.751 0.000 -3.673) 4.069 20.356 ( 1.751 0.000 3.673) 4.069 20.375 ( 0.769 0.000 -1.873) 2.025 20.375 ( 0.769 0.000 1.873) 2.025 21.421 ( 4.564 0.000 -10.904) 11.821 21.421 ( 4.564 0.000 10.904) 11.821 21.565 ( -6.517 0.000 -8.165) 10.447 21.565 ( -6.517 0.000 8.165) 10.447 22.210 ( 3.043 0.000 -7.092) 7.717 22.210 ( 3.043 0.000 7.092) 7.717 22.296 ( -3.606 0.000 -5.242) 6.362 22.296 ( -3.606 0.000 5.242) 6.362 22.979 ( 5.756 0.000 -7.842) 9.728 22.979 ( 5.756 0.000 7.842) 9.728 23.100 ( -4.120 0.000 -8.950) 9.853 23.100 ( -4.120 0.000 8.950) 9.853 ======================= Grid point 81 (33/36) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 0.988 -14.735) 14.768 2.433 ( 0.000 0.988 14.735) 14.768 2.523 ( 0.000 -1.543 -5.192) 5.417 2.523 ( 0.000 -1.543 5.192) 5.417 2.630 ( 0.000 -0.772 -10.774) 10.802 2.630 ( 0.000 -0.772 10.774) 10.802 2.689 ( 0.000 -5.942 -6.927) 9.126 2.689 ( 0.000 -5.942 6.927) 9.126 2.759 ( 0.000 -3.248 -1.519) 3.586 2.759 ( 0.000 -3.248 1.519) 3.586 2.802 ( 0.000 -7.055 -1.222) 7.160 2.802 ( 0.000 -7.055 1.222) 7.160 2.885 ( 0.000 -0.716 -5.464) 5.511 2.885 ( 0.000 -0.716 5.464) 5.511 3.088 ( 0.000 -7.361 -3.113) 7.992 3.088 ( 0.000 -7.361 3.113) 7.992 3.418 ( 0.000 7.608 -9.760) 12.375 3.418 ( 0.000 7.608 9.760) 12.375 3.558 ( 0.000 1.156 -3.100) 3.309 3.558 ( 0.000 1.156 3.100) 3.309 3.637 ( 0.000 1.195 -6.540) 6.649 3.637 ( 0.000 1.195 6.540) 6.649 3.679 ( 0.000 0.312 -1.647) 1.676 3.679 ( 0.000 0.312 1.647) 1.676 3.802 ( 0.000 2.583 -1.294) 2.889 3.802 ( 0.000 2.583 1.294) 2.889 3.834 ( 0.000 2.401 -3.559) 4.293 3.834 ( 0.000 2.401 3.559) 4.293 4.113 ( 0.000 1.733 -3.838) 4.211 4.113 ( 0.000 1.733 3.838) 4.211 4.175 ( 0.000 0.327 -1.950) 1.977 4.175 ( 0.000 0.327 1.950) 1.977 4.292 ( 0.000 3.381 -5.687) 6.617 4.292 ( 0.000 3.381 5.687) 6.617 4.332 ( 0.000 1.367 -5.451) 5.620 4.332 ( 0.000 1.367 5.451) 5.620 4.527 ( 0.000 2.201 -2.773) 3.540 4.527 ( 0.000 2.201 2.773) 3.540 4.554 ( 0.000 1.019 -4.557) 4.670 4.554 ( 0.000 1.019 4.557) 4.670 4.829 ( 0.000 5.369 -5.023) 7.352 4.829 ( 0.000 5.369 5.023) 7.352 5.126 ( 0.000 -3.069 -0.990) 3.225 5.126 ( 0.000 -3.069 0.990) 3.225 5.298 ( 0.000 2.358 -6.765) 7.164 5.298 ( 0.000 2.358 6.765) 7.164 5.560 ( 0.000 -2.650 -0.823) 2.775 5.560 ( 0.000 -2.650 0.823) 2.775 5.710 ( 0.000 0.959 -4.303) 4.408 5.710 ( 0.000 0.959 4.303) 4.408 5.777 ( 0.000 -4.923 -4.166) 6.449 5.777 ( 0.000 -4.923 4.166) 6.449 5.899 ( 0.000 1.882 -7.861) 8.083 5.899 ( 0.000 1.882 7.861) 8.083 6.109 ( 0.000 -5.033 -5.096) 7.163 6.109 ( 0.000 -5.033 5.096) 7.163 6.162 ( 0.000 -0.458 -1.972) 2.025 6.162 ( 0.000 -0.458 1.972) 2.025 6.193 ( 0.000 -1.413 -2.302) 2.701 6.193 ( 0.000 -1.413 2.302) 2.701 6.459 ( 0.000 1.690 -15.525) 15.617 6.459 ( 0.000 1.690 15.525) 15.617 6.477 ( 0.000 0.165 -6.868) 6.870 6.477 ( 0.000 0.165 6.868) 6.870 6.619 ( 0.000 0.838 -11.435) 11.466 6.619 ( 0.000 0.838 11.435) 11.466 6.703 ( 0.000 -2.444 -8.002) 8.367 6.703 ( 0.000 -2.444 8.002) 8.367 6.864 ( 0.000 1.269 -3.101) 3.351 6.864 ( 0.000 1.269 3.101) 3.351 6.928 ( 0.000 -1.094 -2.843) 3.046 6.928 ( 0.000 -1.094 2.843) 3.046 7.270 ( 0.000 2.260 -12.652) 12.852 7.270 ( 0.000 2.260 12.652) 12.852 7.345 ( 0.000 -0.911 -10.049) 10.090 7.345 ( 0.000 -0.911 10.049) 10.090 7.436 ( 0.000 2.214 -3.922) 4.503 7.436 ( 0.000 2.214 3.922) 4.504 7.572 ( 0.000 -2.665 -8.665) 9.066 7.572 ( 0.000 -2.665 8.665) 9.066 7.732 ( 0.000 1.554 -2.932) 3.318 7.732 ( 0.000 1.554 2.932) 3.318 7.761 ( 0.000 0.491 -2.894) 2.935 7.761 ( 0.000 0.491 2.894) 2.935 8.042 ( 0.000 1.410 -12.185) 12.266 8.042 ( 0.000 1.410 12.185) 12.266 8.150 ( 0.000 -2.015 -6.564) 6.866 8.150 ( 0.000 -2.015 6.564) 6.866 8.227 ( 0.000 2.349 -1.080) 2.585 8.227 ( 0.000 2.349 1.080) 2.585 8.270 ( 0.000 0.320 -6.511) 6.519 8.270 ( 0.000 0.320 6.511) 6.519 8.626 ( 0.000 1.227 -2.816) 3.071 8.626 ( 0.000 1.227 2.816) 3.071 8.776 ( 0.000 -3.930 -6.021) 7.191 8.776 ( 0.000 -3.930 6.021) 7.191 8.964 ( 0.000 0.902 -0.824) 1.222 8.964 ( 0.000 0.902 0.824) 1.222 9.009 ( 0.000 -0.803 -1.365) 1.584 9.009 ( 0.000 -0.803 1.365) 1.584 9.802 ( 0.000 -0.005 -2.133) 2.133 9.802 ( 0.000 -0.005 2.133) 2.133 9.864 ( 0.000 -1.669 -2.302) 2.843 9.864 ( 0.000 -1.669 2.302) 2.843 9.967 ( 0.000 3.272 -1.954) 3.811 9.967 ( 0.000 3.272 1.954) 3.811 10.067 ( 0.000 -1.012 -4.511) 4.623 10.067 ( 0.000 -1.012 4.511) 4.623 10.489 ( 0.000 2.595 -17.155) 17.350 10.489 ( 0.000 2.595 17.155) 17.350 10.625 ( 0.000 -2.260 -12.448) 12.651 10.625 ( 0.000 -2.260 12.448) 12.651 10.824 ( 0.000 -0.148 -5.758) 5.759 10.824 ( 0.000 -0.148 5.758) 5.759 10.830 ( 0.000 -0.276 -4.796) 4.804 10.830 ( 0.000 -0.276 4.796) 4.804 12.386 ( 0.000 0.662 -9.244) 9.268 12.386 ( 0.000 0.662 9.244) 9.268 12.421 ( 0.000 -0.656 -14.601) 14.616 12.421 ( 0.000 -0.656 14.601) 14.616 12.807 ( 0.000 0.632 -5.211) 5.249 12.807 ( 0.000 0.632 5.211) 5.249 12.827 ( 0.000 -0.002 -6.328) 6.328 12.827 ( 0.000 -0.002 6.328) 6.328 13.309 ( 0.000 0.341 -3.654) 3.670 13.309 ( 0.000 0.341 3.654) 3.670 13.352 ( 0.000 -1.127 -2.806) 3.024 13.352 ( 0.000 -1.127 2.806) 3.024 13.556 ( 0.000 1.505 -11.293) 11.393 13.556 ( 0.000 1.505 11.293) 11.393 13.662 ( 0.000 -2.549 -5.349) 5.926 13.662 ( 0.000 -2.549 5.349) 5.926 14.329 ( 0.000 3.904 -2.948) 4.892 14.329 ( 0.000 3.904 2.948) 4.892 14.397 ( 0.000 3.947 -3.765) 5.455 14.397 ( 0.000 3.947 3.765) 5.455 14.484 ( 0.000 -0.816 -1.343) 1.572 14.484 ( 0.000 -0.816 1.343) 1.572 14.583 ( 0.000 -3.873 -1.390) 4.115 14.583 ( 0.000 -3.873 1.390) 4.115 14.607 ( 0.000 1.131 -6.275) 6.376 14.607 ( 0.000 1.131 6.275) 6.376 14.662 ( 0.000 -1.389 -11.421) 11.505 14.662 ( 0.000 -1.389 11.421) 11.505 15.100 ( 0.000 5.020 -6.927) 8.555 15.100 ( 0.000 5.020 6.927) 8.555 15.372 ( 0.000 -4.100 -3.232) 5.221 15.372 ( 0.000 -4.100 3.232) 5.221 15.963 ( 0.000 0.240 -2.332) 2.344 15.963 ( 0.000 0.240 2.332) 2.344 16.024 ( 0.000 -2.192 -4.788) 5.266 16.024 ( 0.000 -2.192 4.788) 5.266 16.751 ( 0.000 4.626 -21.558) 22.049 16.751 ( 0.000 4.626 21.558) 22.049 17.016 ( 0.000 -4.987 -9.020) 10.306 17.016 ( 0.000 -4.987 9.020) 10.307 17.702 ( 0.000 1.541 -15.438) 15.515 17.702 ( 0.000 1.541 15.438) 15.515 17.888 ( 0.000 -7.057 -4.247) 8.237 17.888 ( 0.000 -7.057 4.247) 8.237 18.835 ( 0.000 8.777 -15.743) 18.025 18.835 ( 0.000 8.777 15.743) 18.025 19.196 ( 0.000 -5.508 -19.513) 20.276 19.196 ( 0.000 -5.508 19.513) 20.276 20.346 ( 0.000 0.422 -14.189) 14.196 20.346 ( 0.000 0.422 14.189) 14.196 20.347 ( 0.000 0.285 -9.582) 9.586 20.347 ( 0.000 0.285 9.582) 9.586 21.427 ( 0.000 4.316 -10.589) 11.434 21.427 ( 0.000 4.316 10.589) 11.434 21.616 ( 0.000 -2.679 -5.987) 6.559 21.616 ( 0.000 -2.679 5.987) 6.559 22.193 ( 0.000 1.221 -9.381) 9.461 22.193 ( 0.000 1.221 9.381) 9.461 22.304 ( 0.000 -2.978 -5.645) 6.382 22.304 ( 0.000 -2.978 5.645) 6.382 22.941 ( 0.000 3.614 -6.795) 7.697 22.941 ( 0.000 3.614 6.795) 7.697 23.115 ( 0.000 -2.915 -8.663) 9.141 23.115 ( 0.000 -2.915 8.663) 9.141 ======================= Grid point 83 (34/36) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 3.329 0.264 -13.442) 13.851 2.474 ( 3.329 0.264 13.442) 13.851 2.558 ( -2.045 -0.524 -7.532) 7.822 2.558 ( -2.045 -0.524 7.532) 7.822 2.592 ( 2.294 -2.482 -1.776) 3.818 2.592 ( 2.293 -2.482 1.776) 3.818 2.676 ( -2.654 -4.418 -5.371) 7.444 2.676 ( -2.654 -4.418 5.371) 7.444 2.760 ( 1.136 -3.023 -11.462) 11.908 2.760 ( 1.136 -3.023 11.462) 11.908 2.795 ( -1.280 -3.741 -8.027) 8.948 2.795 ( -1.280 -3.741 8.027) 8.948 2.927 ( 3.854 -4.427 -2.333) 6.316 2.927 ( 3.854 -4.427 2.333) 6.316 3.032 ( -4.417 -6.486 -2.313) 8.181 3.032 ( -4.417 -6.486 2.313) 8.181 3.437 ( 1.785 5.339 -8.507) 10.201 3.437 ( 1.785 5.339 8.507) 10.201 3.501 ( -3.636 2.338 -5.891) 7.307 3.501 ( -3.636 2.338 5.891) 7.307 3.662 ( 2.052 0.907 -2.901) 3.667 3.662 ( 2.052 0.907 2.901) 3.667 3.693 ( -0.215 0.169 -0.349) 0.444 3.693 ( -0.215 0.169 0.349) 0.444 3.809 ( 1.214 2.913 -1.905) 3.686 3.809 ( 1.214 2.913 1.905) 3.686 3.838 ( -0.487 2.847 -3.309) 4.393 3.838 ( -0.487 2.847 3.309) 4.393 4.117 ( 0.779 1.648 -2.760) 3.307 4.117 ( 0.779 1.648 2.760) 3.308 4.154 ( -1.956 1.840 -3.409) 4.340 4.154 ( -1.956 1.840 3.409) 4.340 4.316 ( 3.415 0.772 -4.286) 5.534 4.316 ( 3.415 0.772 4.286) 5.534 4.385 ( 0.787 0.283 -0.849) 1.192 4.385 ( 0.787 0.283 0.849) 1.192 4.471 ( -1.676 2.767 -3.280) 4.607 4.471 ( -1.676 2.767 3.280) 4.607 4.518 ( -2.660 2.728 -4.639) 6.003 4.518 ( -2.660 2.728 4.639) 6.003 4.919 ( 6.399 4.646 -6.076) 9.973 4.919 ( 6.399 4.646 6.076) 9.973 5.073 ( -5.810 2.296 -4.544) 7.725 5.073 ( -5.810 2.296 4.545) 7.725 5.335 ( 4.961 -2.501 -5.733) 7.984 5.335 ( 4.961 -2.501 5.734) 7.984 5.480 ( -6.163 -3.669 -2.714) 7.669 5.480 ( -6.163 -3.669 2.714) 7.669 5.725 ( 0.738 0.581 -2.639) 2.801 5.725 ( 0.738 0.581 2.639) 2.801 5.744 ( -1.219 -1.442 -1.395) 2.348 5.744 ( -1.219 -1.442 1.395) 2.348 5.961 ( 3.549 -0.851 -5.966) 6.994 5.961 ( 3.549 -0.851 5.966) 6.994 6.048 ( -4.070 -2.878 -3.437) 6.055 6.048 ( -4.070 -2.878 3.437) 6.055 6.152 ( 0.677 -1.021 -3.109) 3.341 6.152 ( 0.677 -1.021 3.109) 3.341 6.184 ( -1.527 -0.306 -3.118) 3.485 6.184 ( -1.527 -0.306 3.118) 3.485 6.465 ( 1.695 -1.136 -9.747) 9.959 6.465 ( 1.695 -1.136 9.747) 9.959 6.500 ( -0.114 -1.437 -12.151) 12.236 6.500 ( -0.114 -1.437 12.151) 12.236 6.632 ( 0.631 1.636 -5.360) 5.639 6.632 ( 0.631 1.636 5.360) 5.639 6.672 ( -2.248 -0.066 -2.744) 3.548 6.672 ( -2.248 -0.066 2.744) 3.548 6.907 ( 4.701 0.069 -2.765) 5.454 6.907 ( 4.701 0.069 2.765) 5.454 6.973 ( 0.763 -0.360 -0.851) 1.198 6.973 ( 0.763 -0.360 0.851) 1.198 7.305 ( 3.061 1.318 -8.653) 9.272 7.305 ( 3.061 1.318 8.653) 9.272 7.386 ( 1.819 -1.408 -4.528) 5.079 7.386 ( 1.819 -1.408 4.528) 5.079 7.406 ( -1.916 0.286 -6.604) 6.883 7.406 ( -1.916 0.286 6.604) 6.882 7.496 ( -5.067 -2.172 -1.275) 5.659 7.496 ( -5.067 -2.172 1.275) 5.659 7.682 ( 0.268 4.209 -1.203) 4.385 7.682 ( 0.268 4.209 1.203) 4.385 7.745 ( -3.365 3.416 -4.532) 6.597 7.745 ( -3.365 3.416 4.532) 6.597 8.086 ( 2.720 -0.601 -6.290) 6.879 8.086 ( 2.720 -0.601 6.290) 6.879 8.132 ( -1.317 -1.541 -5.457) 5.821 8.132 ( -1.317 -1.541 5.457) 5.821 8.259 ( 2.007 0.769 -2.059) 2.976 8.259 ( 2.007 0.769 2.059) 2.976 8.282 ( 0.224 0.310 -5.702) 5.715 8.282 ( 0.224 0.310 5.702) 5.715 8.653 ( 2.487 0.538 -2.767) 3.759 8.653 ( 2.487 0.538 2.767) 3.759 8.729 ( -3.531 -1.886 -4.295) 5.871 8.729 ( -3.531 -1.886 4.295) 5.871 8.977 ( 0.957 -0.171 -0.776) 1.244 8.977 ( 0.957 -0.171 0.776) 1.244 8.999 ( -0.810 -0.810 -0.918) 1.468 8.999 ( -0.810 -0.810 0.918) 1.468 9.837 ( 2.763 -0.563 -2.021) 3.470 9.837 ( 2.763 -0.563 2.021) 3.470 9.881 ( 0.201 -0.087 -2.499) 2.508 9.881 ( 0.201 -0.087 2.499) 2.508 9.959 ( 0.342 1.496 -1.797) 2.363 9.959 ( 0.342 1.496 1.797) 2.363 10.017 ( -3.618 -0.241 -3.169) 4.815 10.017 ( -3.618 -0.241 3.169) 4.815 10.524 ( 2.683 0.951 -15.435) 15.695 10.524 ( 2.683 0.951 15.435) 15.695 10.590 ( -2.697 -1.450 -13.054) 13.408 10.590 ( -2.697 -1.450 13.054) 13.408 10.829 ( 0.476 0.349 -3.842) 3.887 10.829 ( 0.476 0.349 3.842) 3.887 10.836 ( 0.068 0.219 -3.536) 3.544 10.836 ( 0.068 0.219 3.536) 3.544 12.395 ( 0.780 0.259 -10.575) 10.607 12.395 ( 0.780 0.259 10.575) 10.607 12.414 ( -0.680 -0.340 -12.936) 12.958 12.414 ( -0.680 -0.340 12.936) 12.958 12.808 ( 0.387 0.315 -3.736) 3.769 12.808 ( 0.387 0.315 3.736) 3.769 12.822 ( -0.580 0.030 -4.067) 4.108 12.822 ( -0.580 0.030 4.067) 4.108 13.315 ( 0.771 0.085 -3.580) 3.663 13.315 ( 0.771 0.085 3.580) 3.663 13.340 ( -1.063 -0.672 -3.145) 3.387 13.340 ( -1.063 -0.672 3.145) 3.387 13.585 ( 2.251 0.318 -9.250) 9.525 13.585 ( 2.251 0.318 9.250) 9.525 13.638 ( -1.981 -1.693 -6.189) 6.715 13.638 ( -1.981 -1.693 6.189) 6.715 14.346 ( 1.463 4.366 -2.610) 5.293 14.346 ( 1.463 4.366 2.610) 5.293 14.382 ( -1.316 4.331 -2.924) 5.389 14.382 ( -1.316 4.331 2.924) 5.389 14.493 ( 0.968 -0.771 -1.247) 1.757 14.493 ( 0.968 -0.771 1.247) 1.757 14.535 ( -2.549 -1.009 -1.373) 3.066 14.535 ( -2.549 -1.009 1.373) 3.066 14.635 ( 1.182 -0.445 -7.181) 7.292 14.635 ( 1.182 -0.445 7.181) 7.292 14.655 ( -0.568 -0.727 -9.802) 9.845 14.655 ( -0.568 -0.727 9.802) 9.845 15.185 ( 6.306 0.314 -5.860) 8.614 15.185 ( 6.306 0.314 5.860) 8.614 15.320 ( -4.543 -3.694 -3.049) 6.602 15.320 ( -4.543 -3.694 3.049) 6.602 15.975 ( 1.235 0.573 -2.753) 3.071 15.975 ( 1.235 0.573 2.753) 3.071 16.011 ( -1.377 -0.515 -4.364) 4.605 16.011 ( -1.377 -0.515 4.364) 4.605 16.787 ( 3.952 1.482 -19.292) 19.748 16.787 ( 3.952 1.482 19.292) 19.748 16.926 ( -6.863 -2.729 -10.963) 13.218 16.926 ( -6.863 -2.729 10.963) 13.218 17.764 ( 5.569 1.317 -8.997) 10.663 17.764 ( 5.569 1.317 8.997) 10.663 17.882 ( -2.732 -2.579 -4.600) 5.939 17.882 ( -2.732 -2.579 4.600) 5.939 18.901 ( 6.297 3.389 -15.770) 17.315 18.901 ( 6.297 3.389 15.770) 17.315 19.088 ( -8.306 -3.480 -17.572) 19.745 19.088 ( -8.306 -3.480 17.572) 19.745 20.355 ( 1.573 -0.056 -7.878) 8.034 20.355 ( 1.573 -0.056 7.878) 8.034 20.377 ( 0.455 0.083 -4.493) 4.517 20.377 ( 0.455 0.083 4.493) 4.517 21.452 ( 3.022 2.461 -9.896) 10.636 21.452 ( 3.022 2.461 9.896) 10.636 21.558 ( -4.880 -0.766 -7.963) 9.371 21.558 ( -4.880 -0.766 7.963) 9.371 22.219 ( 2.673 0.868 -6.500) 7.081 22.219 ( 2.673 0.868 6.500) 7.081 22.285 ( -2.138 -0.985 -4.934) 5.467 22.285 ( -2.138 -0.985 4.934) 5.467 22.992 ( 3.820 1.225 -7.688) 8.672 22.992 ( 3.820 1.225 7.688) 8.672 23.078 ( -3.106 -1.859 -8.518) 9.256 23.078 ( -3.106 -1.859 8.518) 9.256 ======================= Grid point 87 (35/36) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.000 -2.546 -9.078) 9.428 2.472 ( 0.000 2.546 -9.077) 9.428 2.472 ( 0.000 -2.546 9.078) 9.428 2.472 ( 0.000 2.546 9.078) 9.428 2.625 ( 0.000 -0.022 -8.438) 8.438 2.625 ( 0.000 0.022 -8.438) 8.438 2.625 ( 0.000 -0.022 8.438) 8.438 2.625 ( 0.000 0.022 8.438) 8.438 2.696 ( 0.000 -0.205 -3.902) 3.908 2.696 ( 0.000 0.205 -3.902) 3.908 2.696 ( 0.000 -0.205 3.902) 3.908 2.696 ( 0.000 0.205 3.902) 3.908 2.951 ( 0.000 -5.162 -3.867) 6.450 2.951 ( 0.000 5.162 -3.867) 6.450 2.951 ( 0.000 -5.162 3.867) 6.450 2.951 ( 0.000 5.162 3.867) 6.450 3.528 ( 0.000 -3.068 -5.661) 6.439 3.528 ( 0.000 3.068 -5.661) 6.439 3.528 ( 0.000 -3.068 5.662) 6.440 3.528 ( 0.000 3.068 5.662) 6.440 3.669 ( 0.000 -1.132 -5.117) 5.241 3.669 ( 0.000 1.132 -5.117) 5.241 3.669 ( 0.000 -1.132 5.117) 5.241 3.669 ( 0.000 1.132 5.117) 5.241 3.853 ( 0.000 -1.043 -2.125) 2.367 3.853 ( 0.000 1.043 -2.125) 2.367 3.853 ( 0.000 -1.043 2.125) 2.367 3.853 ( 0.000 1.043 2.125) 2.367 4.154 ( 0.000 -1.625 -1.923) 2.517 4.154 ( 0.000 1.625 -1.923) 2.517 4.154 ( 0.000 -1.624 1.923) 2.517 4.154 ( 0.000 1.625 1.923) 2.517 4.348 ( 0.000 -0.482 -3.461) 3.494 4.348 ( 0.000 0.482 -3.461) 3.494 4.348 ( 0.000 -0.482 3.461) 3.494 4.348 ( 0.000 0.482 3.461) 3.495 4.565 ( 0.000 -0.332 -4.310) 4.323 4.565 ( 0.000 0.332 -4.310) 4.323 4.565 ( 0.000 -0.332 4.310) 4.323 4.565 ( 0.000 0.332 4.310) 4.323 4.985 ( 0.000 -8.175 -4.263) 9.220 4.985 ( 0.000 -8.175 4.263) 9.220 4.985 ( 0.000 8.175 -4.263) 9.220 4.985 ( 0.000 8.175 4.263) 9.220 5.429 ( 0.000 -8.068 -2.912) 8.578 5.429 ( 0.000 -8.068 2.912) 8.578 5.429 ( 0.000 8.068 -2.912) 8.578 5.429 ( 0.000 8.068 2.912) 8.578 5.721 ( 0.000 -0.456 -3.380) 3.411 5.721 ( 0.000 0.456 -3.380) 3.411 5.721 ( 0.000 -0.456 3.380) 3.411 5.721 ( 0.000 0.456 3.380) 3.411 5.983 ( 0.000 -5.661 -7.669) 9.532 5.983 ( 0.000 5.661 -7.669) 9.532 5.983 ( 0.000 -5.661 7.669) 9.532 5.983 ( 0.000 5.661 7.669) 9.532 6.166 ( 0.000 -0.502 -0.307) 0.589 6.166 ( 0.000 -0.502 0.308) 0.589 6.166 ( 0.000 0.502 -0.307) 0.589 6.166 ( 0.000 0.502 0.308) 0.589 6.480 ( 0.000 -0.029 -12.640) 12.640 6.480 ( 0.000 0.029 -12.640) 12.640 6.480 ( 0.000 -0.029 12.640) 12.640 6.480 ( 0.000 0.029 12.640) 12.640 6.650 ( 0.000 -2.014 -12.404) 12.566 6.650 ( 0.000 2.014 -12.404) 12.566 6.650 ( 0.000 -2.014 12.404) 12.566 6.650 ( 0.000 2.014 12.404) 12.566 6.897 ( 0.000 -1.143 -2.826) 3.048 6.897 ( 0.000 1.143 -2.826) 3.048 6.897 ( 0.000 -1.143 2.826) 3.048 6.897 ( 0.000 1.143 2.826) 3.048 7.318 ( 0.000 -1.647 -13.691) 13.790 7.318 ( 0.000 1.647 -13.691) 13.790 7.318 ( 0.000 -1.647 13.691) 13.790 7.318 ( 0.000 1.647 13.691) 13.790 7.501 ( 0.000 -3.348 -8.134) 8.796 7.501 ( 0.000 3.348 -8.134) 8.796 7.501 ( 0.000 -3.348 8.134) 8.796 7.501 ( 0.000 3.348 8.134) 8.796 7.760 ( 0.000 -0.331 -1.106) 1.155 7.760 ( 0.000 -0.331 1.106) 1.155 7.760 ( 0.000 0.331 -1.106) 1.155 7.760 ( 0.000 0.331 1.106) 1.155 8.092 ( 0.000 -2.853 -11.929) 12.265 8.092 ( 0.000 2.853 -11.929) 12.265 8.092 ( 0.000 -2.853 11.929) 12.265 8.092 ( 0.000 2.853 11.929) 12.265 8.268 ( 0.000 -0.869 -3.212) 3.327 8.268 ( 0.000 0.869 -3.212) 3.327 8.268 ( 0.000 -0.869 3.212) 3.327 8.268 ( 0.000 0.869 3.212) 3.327 8.682 ( 0.000 -3.960 -3.043) 4.994 8.682 ( 0.000 3.960 -3.043) 4.994 8.682 ( 0.000 -3.960 3.043) 4.994 8.682 ( 0.000 3.960 3.043) 4.994 8.987 ( 0.000 -1.113 -1.316) 1.723 8.987 ( 0.000 1.113 -1.316) 1.723 8.987 ( 0.000 -1.113 1.316) 1.724 8.987 ( 0.000 1.113 1.316) 1.724 9.823 ( 0.000 -1.585 -2.520) 2.977 9.823 ( 0.000 1.585 -2.520) 2.977 9.823 ( 0.000 -1.585 2.520) 2.977 9.823 ( 0.000 1.585 2.520) 2.977 10.031 ( 0.000 -2.309 -2.105) 3.124 10.031 ( 0.000 2.309 -2.105) 3.124 10.031 ( 0.000 -2.309 2.105) 3.124 10.031 ( 0.000 2.309 2.105) 3.124 10.559 ( 0.000 -3.507 -15.062) 15.465 10.559 ( 0.000 3.507 -15.062) 15.465 10.559 ( 0.000 -3.507 15.062) 15.465 10.559 ( 0.000 3.507 15.062) 15.465 10.825 ( 0.000 -0.181 -5.183) 5.186 10.825 ( 0.000 0.181 -5.183) 5.186 10.825 ( 0.000 -0.181 5.183) 5.186 10.825 ( 0.000 0.181 5.183) 5.186 12.403 ( 0.000 -0.883 -12.222) 12.254 12.403 ( 0.000 0.883 -12.222) 12.254 12.403 ( 0.000 -0.883 12.222) 12.254 12.403 ( 0.000 0.883 12.222) 12.254 12.821 ( 0.000 -0.569 -6.659) 6.683 12.821 ( 0.000 0.569 -6.659) 6.683 12.821 ( 0.000 -0.569 6.659) 6.683 12.821 ( 0.000 0.569 6.659) 6.683 13.325 ( 0.000 -1.150 -3.249) 3.447 13.325 ( 0.000 1.150 -3.249) 3.447 13.325 ( 0.000 -1.150 3.249) 3.447 13.325 ( 0.000 1.150 3.249) 3.447 13.602 ( 0.000 -2.661 -8.895) 9.285 13.602 ( 0.000 2.661 -8.895) 9.285 13.602 ( 0.000 -2.661 8.895) 9.285 13.602 ( 0.000 2.661 8.895) 9.285 14.442 ( 0.000 -4.527 -2.687) 5.264 14.442 ( 0.000 -4.527 2.687) 5.264 14.442 ( 0.000 4.527 -2.687) 5.264 14.442 ( 0.000 4.527 2.687) 5.264 14.473 ( 0.000 -4.088 -3.941) 5.679 14.473 ( 0.000 4.088 -3.941) 5.679 14.473 ( 0.000 -4.088 3.941) 5.679 14.473 ( 0.000 4.088 3.941) 5.679 14.635 ( 0.000 -1.236 -8.581) 8.670 14.635 ( 0.000 1.236 -8.581) 8.670 14.635 ( 0.000 -1.236 8.581) 8.670 14.635 ( 0.000 1.236 8.581) 8.670 15.243 ( 0.000 -7.265 -5.746) 9.263 15.243 ( 0.000 7.265 -5.746) 9.263 15.243 ( 0.000 -7.265 5.746) 9.263 15.243 ( 0.000 7.265 5.746) 9.263 15.980 ( 0.000 -1.453 -3.148) 3.467 15.980 ( 0.000 1.453 -3.148) 3.467 15.980 ( 0.000 -1.453 3.148) 3.467 15.980 ( 0.000 1.453 3.148) 3.467 16.880 ( 0.000 -6.619 -16.796) 18.053 16.880 ( 0.000 6.619 -16.796) 18.053 16.880 ( 0.000 -6.619 16.796) 18.053 16.880 ( 0.000 6.619 16.796) 18.053 17.761 ( 0.000 -3.994 -12.394) 13.021 17.761 ( 0.000 3.994 -12.394) 13.021 17.761 ( 0.000 -3.994 12.394) 13.021 17.761 ( 0.000 3.994 12.394) 13.021 19.035 ( 0.000 -8.899 -18.888) 20.879 19.035 ( 0.000 8.899 -18.888) 20.879 19.035 ( 0.000 -8.899 18.888) 20.879 19.035 ( 0.000 8.899 18.888) 20.879 20.351 ( 0.000 -0.000 -12.178) 12.178 20.351 ( 0.000 0.000 -12.178) 12.178 20.351 ( 0.000 -0.000 12.178) 12.178 20.351 ( 0.000 0.000 12.178) 12.178 21.533 ( 0.000 -4.645 -7.969) 9.224 21.533 ( 0.000 4.645 -7.969) 9.224 21.533 ( 0.000 -4.645 7.969) 9.224 21.533 ( 0.000 4.645 7.969) 9.224 22.236 ( 0.000 -2.706 -7.504) 7.977 22.236 ( 0.000 2.706 -7.504) 7.977 22.236 ( 0.000 -2.706 7.504) 7.977 22.236 ( 0.000 2.706 7.504) 7.977 23.033 ( 0.000 -4.385 -7.550) 8.731 23.033 ( 0.000 4.385 -7.550) 8.731 23.033 ( 0.000 -4.385 7.550) 8.731 23.033 ( 0.000 4.385 7.550) 8.731 ======================= Grid point 91 (36/36) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 2.356 0.000 -6.419) 6.838 2.486 ( 2.356 0.000 6.420) 6.838 2.534 ( 2.619 -0.000 -12.632) 12.901 2.534 ( 2.619 0.000 12.633) 12.901 2.561 ( -2.371 0.000 -5.890) 6.349 2.561 ( -2.371 0.000 5.890) 6.349 2.609 ( -2.440 0.000 -11.128) 11.393 2.609 ( -2.440 0.000 11.128) 11.393 2.730 ( 2.468 -0.000 -3.699) 4.446 2.730 ( 2.468 -0.000 3.699) 4.446 2.738 ( 1.737 -0.000 -7.706) 7.899 2.738 ( 1.737 0.000 7.706) 7.899 2.917 ( -1.783 0.000 -5.648) 5.923 2.917 ( -1.783 0.000 5.648) 5.923 2.923 ( -2.077 -0.000 -0.421) 2.119 2.923 ( -2.077 -0.000 0.421) 2.119 3.506 ( -0.996 0.001 -5.246) 5.340 3.506 ( -0.996 0.004 5.246) 5.340 3.507 ( -1.066 -0.001 -5.322) 5.428 3.507 ( -1.066 -0.004 5.322) 5.428 3.680 ( 1.062 0.000 -3.858) 4.002 3.680 ( 1.062 0.000 3.858) 4.002 3.692 ( 0.362 0.000 -2.123) 2.153 3.692 ( 0.362 -0.000 2.123) 2.153 3.853 ( 1.160 0.000 -1.768) 2.114 3.853 ( 1.160 0.000 1.768) 2.114 3.875 ( 0.066 0.000 -2.009) 2.010 3.875 ( 0.066 0.000 2.009) 2.010 4.136 ( 0.693 0.000 -4.859) 4.908 4.136 ( 0.693 -0.000 4.859) 4.908 4.172 ( -1.319 0.000 -3.648) 3.879 4.172 ( -1.319 0.000 3.648) 3.879 4.334 ( 1.985 0.000 -3.067) 3.653 4.334 ( 1.985 0.000 3.067) 3.653 4.385 ( -0.631 0.000 -2.747) 2.819 4.385 ( -0.631 -0.000 2.748) 2.819 4.518 ( -0.195 0.000 -4.335) 4.339 4.518 ( -0.195 0.000 4.335) 4.339 4.558 ( -2.089 0.000 -4.800) 5.235 4.558 ( -2.089 0.000 4.800) 5.235 5.022 ( 3.745 0.000 -5.606) 6.742 5.022 ( 3.745 0.000 5.606) 6.742 5.060 ( 2.580 -0.000 -4.453) 5.147 5.060 ( 2.580 -0.000 4.453) 5.147 5.344 ( -3.006 0.000 -5.888) 6.611 5.344 ( -3.006 -0.000 5.888) 6.611 5.383 ( -4.234 -0.000 -3.557) 5.529 5.383 ( -4.234 0.000 3.557) 5.529 5.730 ( 0.663 0.000 -3.402) 3.466 5.730 ( 0.663 0.000 3.402) 3.466 5.733 ( 0.411 0.000 -4.347) 4.366 5.733 ( 0.411 0.000 4.347) 4.366 5.973 ( -0.356 0.000 -8.208) 8.216 5.973 ( -0.356 0.000 8.208) 8.216 5.979 ( -0.968 -0.000 -6.373) 6.446 5.979 ( -0.968 0.000 6.373) 6.446 6.140 ( 1.086 0.000 -1.198) 1.617 6.140 ( 1.086 0.000 1.198) 1.617 6.181 ( -1.303 0.000 -1.403) 1.915 6.181 ( -1.303 0.000 1.403) 1.915 6.452 ( 0.488 0.000 -12.289) 12.299 6.452 ( 0.488 0.000 12.289) 12.299 6.482 ( -1.402 0.000 -18.139) 18.193 6.482 ( -1.402 -0.000 18.139) 18.193 6.655 ( 0.371 0.000 -1.285) 1.337 6.655 ( 0.371 0.000 1.285) 1.338 6.667 ( -0.287 -0.000 -9.781) 9.785 6.667 ( -0.287 0.000 9.781) 9.785 6.909 ( 4.382 0.000 -3.572) 5.653 6.909 ( 4.382 0.000 3.572) 5.653 6.969 ( 1.098 0.000 -3.032) 3.224 6.969 ( 1.098 0.000 3.032) 3.224 7.325 ( 1.778 0.000 -10.269) 10.422 7.325 ( 1.778 -0.000 10.269) 10.422 7.369 ( 1.947 0.000 -6.306) 6.600 7.369 ( 1.947 0.000 6.306) 6.600 7.413 ( -3.292 0.000 -10.477) 10.982 7.413 ( -3.292 -0.000 10.477) 10.982 7.466 ( -4.193 0.000 -6.286) 7.557 7.466 ( -4.193 -0.000 6.286) 7.557 7.740 ( 1.629 0.000 -3.937) 4.261 7.740 ( 1.629 -0.000 3.937) 4.261 7.787 ( -1.396 0.000 -2.005) 2.443 7.787 ( -1.396 0.000 2.005) 2.443 8.083 ( 0.913 0.000 -7.236) 7.293 8.083 ( 0.913 -0.000 7.236) 7.293 8.104 ( -0.412 0.000 -8.829) 8.838 8.104 ( -0.412 0.000 8.829) 8.838 8.270 ( 0.909 0.000 -2.936) 3.073 8.270 ( 0.909 0.000 2.936) 3.073 8.286 ( 0.140 0.000 -4.851) 4.853 8.286 ( 0.140 0.000 4.851) 4.853 8.675 ( 0.259 0.000 -5.112) 5.119 8.675 ( 0.259 -0.000 5.113) 5.119 8.687 ( -0.356 0.000 -4.330) 4.345 8.687 ( -0.356 -0.000 4.330) 4.345 8.981 ( -0.238 0.000 -0.309) 0.390 8.981 ( -0.238 0.000 0.309) 0.390 8.983 ( -0.351 -0.000 -1.159) 1.210 8.983 ( -0.351 0.000 1.159) 1.210 9.832 ( 2.529 0.000 -2.156) 3.323 9.832 ( 2.529 0.000 2.156) 3.323 9.879 ( 1.137 0.000 -2.662) 2.895 9.879 ( 1.137 0.000 2.662) 2.895 9.978 ( -1.598 0.000 -3.009) 3.407 9.978 ( -1.598 0.000 3.009) 3.407 10.013 ( -2.376 0.000 -3.233) 4.012 10.013 ( -2.376 0.000 3.233) 4.012 10.551 ( -0.154 -0.000 -14.367) 14.368 10.551 ( -0.154 -0.000 14.367) 14.368 10.556 ( -0.417 0.000 -14.148) 14.154 10.556 ( -0.416 0.000 14.148) 14.154 10.836 ( 0.613 0.000 -4.610) 4.651 10.836 ( 0.613 -0.000 4.611) 4.651 10.837 ( 0.613 -0.000 -4.090) 4.135 10.837 ( 0.613 -0.000 4.090) 4.135 12.400 ( 0.219 -0.000 -12.567) 12.569 12.400 ( 0.219 0.000 12.568) 12.569 12.408 ( -0.182 0.000 -11.780) 11.781 12.408 ( -0.182 -0.000 11.780) 11.781 12.816 ( -0.133 0.000 -5.585) 5.587 12.816 ( -0.133 0.000 5.585) 5.587 12.819 ( -0.257 0.000 -4.662) 4.669 12.819 ( -0.257 -0.000 4.662) 4.669 13.321 ( 0.071 -0.000 -3.268) 3.269 13.321 ( 0.071 -0.000 3.268) 3.269 13.327 ( -0.237 0.000 -3.603) 3.611 13.327 ( -0.237 0.000 3.603) 3.611 13.601 ( 0.126 0.000 -9.088) 9.089 13.601 ( 0.126 -0.000 9.088) 9.089 13.605 ( -0.068 0.000 -8.195) 8.196 13.605 ( -0.068 0.000 8.195) 8.196 14.443 ( 0.099 0.000 -1.832) 1.834 14.443 ( 0.099 0.000 1.832) 1.834 14.448 ( -0.236 -0.000 -2.505) 2.516 14.448 ( -0.236 -0.000 2.505) 2.516 14.464 ( 1.372 -0.000 -1.198) 1.822 14.464 ( 1.372 0.000 1.198) 1.822 14.495 ( -0.318 -0.000 -2.715) 2.734 14.495 ( -0.318 0.000 2.715) 2.734 14.634 ( 0.360 0.000 -8.251) 8.259 14.634 ( 0.360 -0.000 8.251) 8.259 14.641 ( 0.004 -0.000 -9.161) 9.161 14.641 ( 0.004 0.000 9.161) 9.161 15.218 ( -0.150 -0.000 -8.266) 8.267 15.218 ( -0.150 -0.000 8.266) 8.267 15.240 ( -1.293 0.000 -7.657) 7.766 15.240 ( -1.293 0.000 7.657) 7.766 15.985 ( 1.040 0.000 -4.489) 4.607 15.985 ( 1.040 -0.000 4.489) 4.608 16.001 ( 0.278 0.000 -4.978) 4.986 16.001 ( 0.278 0.000 4.978) 4.986 16.818 ( -0.105 0.000 -17.447) 17.448 16.818 ( -0.105 0.000 17.447) 17.448 16.877 ( -3.362 -0.000 -13.183) 13.605 16.877 ( -3.362 0.000 13.183) 13.605 17.791 ( 4.256 0.000 -8.813) 9.786 17.791 ( 4.256 0.000 8.813) 9.786 17.838 ( 1.640 0.000 -5.670) 5.902 17.838 ( 1.640 0.000 5.670) 5.902 18.989 ( -2.019 0.000 -17.868) 17.982 18.989 ( -2.019 -0.000 17.868) 17.982 18.998 ( -2.474 -0.000 -22.936) 23.069 18.998 ( -2.474 0.000 22.936) 23.069 20.355 ( 1.369 0.000 -10.279) 10.369 20.355 ( 1.369 0.000 10.279) 10.370 20.378 ( 0.169 0.000 -6.087) 6.089 20.378 ( 0.169 0.000 6.087) 6.089 21.493 ( 0.364 0.000 -8.740) 8.748 21.493 ( 0.364 0.000 8.740) 8.748 21.539 ( -2.140 -0.000 -8.066) 8.345 21.539 ( -2.140 -0.000 8.066) 8.345 22.237 ( 1.618 0.000 -6.951) 7.137 22.237 ( 1.618 -0.000 6.952) 7.137 22.266 ( 0.041 0.000 -6.140) 6.140 22.266 ( 0.041 0.000 6.140) 6.140 23.028 ( 0.042 -0.000 -7.877) 7.877 23.028 ( 0.042 0.000 7.877) 7.877 23.033 ( -0.265 0.000 -7.825) 7.830 23.033 ( -0.265 0.000 7.825) 7.830 =================== 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 3/21600 10.0 640.190 856.681 1301.608 0.000 0.000 -0.000 3/21600 20.0 115.235 101.864 225.560 0.000 0.000 -0.000 3/21600 30.0 37.784 33.289 85.687 0.000 0.000 -0.000 3/21600 40.0 18.674 16.951 45.156 0.000 0.000 -0.000 3/21600 50.0 11.446 10.643 28.532 0.000 0.000 -0.000 3/21600 60.0 7.971 7.522 20.196 0.000 0.000 -0.000 3/21600 70.0 6.025 5.730 15.413 0.000 0.000 -0.000 3/21600 80.0 4.812 4.593 12.390 0.000 0.000 -0.000 3/21600 90.0 3.995 3.818 10.336 0.000 0.000 -0.000 3/21600 100.0 3.412 3.261 8.863 0.000 0.000 -0.000 3/21600 110.0 2.976 2.843 7.760 0.000 0.000 -0.000 3/21600 120.0 2.640 2.519 6.906 0.000 0.000 -0.000 3/21600 130.0 2.373 2.261 6.226 0.000 0.000 -0.000 3/21600 140.0 2.156 2.052 5.672 0.000 0.000 -0.000 3/21600 150.0 1.977 1.879 5.213 0.000 0.000 -0.000 3/21600 160.0 1.826 1.733 4.826 0.000 0.000 -0.000 3/21600 170.0 1.697 1.609 4.495 0.000 0.000 -0.000 3/21600 180.0 1.586 1.502 4.209 0.000 0.000 -0.000 3/21600 190.0 1.490 1.409 3.959 0.000 0.000 -0.000 3/21600 200.0 1.405 1.328 3.739 0.000 0.000 -0.000 3/21600 210.0 1.330 1.255 3.543 0.000 0.000 -0.000 3/21600 220.0 1.262 1.191 3.368 0.000 0.000 -0.000 3/21600 230.0 1.202 1.133 3.210 0.000 0.000 -0.000 3/21600 240.0 1.148 1.080 3.067 0.000 0.000 -0.000 3/21600 250.0 1.098 1.033 2.937 0.000 0.000 -0.000 3/21600 260.0 1.053 0.989 2.819 0.000 0.000 -0.000 3/21600 270.0 1.012 0.950 2.709 0.000 0.000 -0.000 3/21600 280.0 0.973 0.913 2.609 0.000 0.000 -0.000 3/21600 290.0 0.938 0.880 2.516 0.000 0.000 -0.000 3/21600 300.0 0.906 0.848 2.429 0.000 0.000 -0.000 3/21600 310.0 0.875 0.819 2.349 0.000 0.000 -0.000 3/21600 320.0 0.847 0.792 2.274 0.000 0.000 -0.000 3/21600 330.0 0.820 0.767 2.203 0.000 0.000 -0.000 3/21600 340.0 0.796 0.744 2.137 0.000 0.000 -0.000 3/21600 350.0 0.772 0.721 2.075 0.000 0.000 -0.000 3/21600 360.0 0.750 0.701 2.017 0.000 0.000 -0.000 3/21600 370.0 0.730 0.681 1.962 0.000 0.000 -0.000 3/21600 380.0 0.710 0.662 1.910 0.000 0.000 -0.000 3/21600 390.0 0.692 0.645 1.860 0.000 0.000 -0.000 3/21600 400.0 0.674 0.628 1.813 0.000 0.000 -0.000 3/21600 410.0 0.658 0.613 1.769 0.000 0.000 -0.000 3/21600 420.0 0.642 0.598 1.727 0.000 0.000 -0.000 3/21600 430.0 0.627 0.583 1.686 0.000 0.000 -0.000 3/21600 440.0 0.612 0.570 1.648 0.000 0.000 -0.000 3/21600 450.0 0.599 0.557 1.611 0.000 0.000 -0.000 3/21600 460.0 0.586 0.544 1.576 0.000 0.000 -0.000 3/21600 470.0 0.573 0.533 1.543 0.000 0.000 -0.000 3/21600 480.0 0.561 0.521 1.511 0.000 0.000 -0.000 3/21600 490.0 0.550 0.511 1.480 0.000 0.000 -0.000 3/21600 500.0 0.539 0.500 1.450 0.000 0.000 -0.000 3/21600 510.0 0.528 0.490 1.422 0.000 0.000 -0.000 3/21600 520.0 0.518 0.481 1.395 0.000 0.000 -0.000 3/21600 530.0 0.508 0.471 1.368 0.000 0.000 -0.000 3/21600 540.0 0.499 0.463 1.343 0.000 0.000 -0.000 3/21600 550.0 0.490 0.454 1.319 0.000 0.000 -0.000 3/21600 560.0 0.481 0.446 1.295 0.000 0.000 -0.000 3/21600 570.0 0.472 0.438 1.272 0.000 0.000 -0.000 3/21600 580.0 0.464 0.430 1.251 0.000 0.000 -0.000 3/21600 590.0 0.456 0.423 1.229 0.000 0.000 -0.000 3/21600 600.0 0.449 0.416 1.209 0.000 0.000 -0.000 3/21600 610.0 0.441 0.409 1.189 0.000 0.000 -0.000 3/21600 620.0 0.434 0.402 1.170 0.000 0.000 -0.000 3/21600 630.0 0.427 0.396 1.152 0.000 0.000 -0.000 3/21600 640.0 0.421 0.390 1.134 0.000 0.000 -0.000 3/21600 650.0 0.414 0.384 1.116 0.000 0.000 -0.000 3/21600 660.0 0.408 0.378 1.100 0.000 0.000 -0.000 3/21600 670.0 0.402 0.372 1.083 0.000 0.000 -0.000 3/21600 680.0 0.396 0.367 1.067 0.000 0.000 -0.000 3/21600 690.0 0.390 0.361 1.052 0.000 0.000 -0.000 3/21600 700.0 0.385 0.356 1.037 0.000 0.000 -0.000 3/21600 710.0 0.379 0.351 1.022 0.000 0.000 -0.000 3/21600 720.0 0.374 0.346 1.008 0.000 0.000 -0.000 3/21600 730.0 0.369 0.341 0.994 0.000 0.000 -0.000 3/21600 740.0 0.364 0.337 0.981 0.000 0.000 -0.000 3/21600 750.0 0.359 0.332 0.968 0.000 0.000 -0.000 3/21600 760.0 0.354 0.328 0.955 0.000 0.000 -0.000 3/21600 770.0 0.350 0.324 0.943 0.000 0.000 -0.000 3/21600 780.0 0.345 0.319 0.931 0.000 0.000 -0.000 3/21600 790.0 0.341 0.315 0.919 0.000 0.000 -0.000 3/21600 800.0 0.337 0.311 0.908 0.000 0.000 -0.000 3/21600 810.0 0.333 0.307 0.897 0.000 0.000 -0.000 3/21600 820.0 0.329 0.304 0.886 0.000 0.000 -0.000 3/21600 830.0 0.325 0.300 0.875 0.000 0.000 -0.000 3/21600 840.0 0.321 0.296 0.865 0.000 0.000 -0.000 3/21600 850.0 0.317 0.293 0.855 0.000 0.000 -0.000 3/21600 860.0 0.313 0.290 0.845 0.000 0.000 -0.000 3/21600 870.0 0.310 0.286 0.835 0.000 0.000 -0.000 3/21600 880.0 0.306 0.283 0.826 0.000 0.000 -0.000 3/21600 890.0 0.303 0.280 0.816 0.000 0.000 -0.000 3/21600 900.0 0.299 0.277 0.807 0.000 0.000 -0.000 3/21600 910.0 0.296 0.274 0.798 0.000 0.000 -0.000 3/21600 920.0 0.293 0.271 0.790 0.000 0.000 -0.000 3/21600 930.0 0.290 0.268 0.781 0.000 0.000 -0.000 3/21600 940.0 0.287 0.265 0.773 0.000 0.000 -0.000 3/21600 950.0 0.284 0.262 0.765 0.000 0.000 -0.000 3/21600 960.0 0.281 0.259 0.757 0.000 0.000 -0.000 3/21600 970.0 0.278 0.257 0.749 0.000 0.000 -0.000 3/21600 980.0 0.275 0.254 0.742 0.000 0.000 -0.000 3/21600 990.0 0.272 0.251 0.734 0.000 0.000 -0.000 3/21600 1000.0 0.270 0.249 0.727 0.000 0.000 -0.000 3/21600 Thermal conductivity related properties were written into "kappa-m3410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:27:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|