----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:49:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.999348980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): *1 O 0.61494835396203 0.06049980599486 0.44565984895981 15.999 2 O 0.38505164603797 0.06049980599486 0.05434015104019 15.999 3 O 0.88505164603797 0.43950019400514 0.94565984895981 15.999 4 O 0.11494835396203 0.43950019400514 0.55434015104019 15.999 5 O 0.38505164603797 0.93950019400513 0.55434015104019 15.999 6 O 0.61494835396203 0.93950019400513 0.94565984895981 15.999 7 O 0.11494835396203 0.56049980599487 0.05434015104019 15.999 8 O 0.88505164603797 0.56049980599487 0.44565984895981 15.999 *9 O 0.83708637864422 0.06162226282888 0.35089142461078 15.999 10 O 0.16291362135578 0.06162226282888 0.14910857538922 15.999 11 O 0.66291362135578 0.43837773717112 0.85089142461078 15.999 12 O 0.33708637864422 0.43837773717112 0.64910857538922 15.999 13 O 0.16291362135578 0.93837773717112 0.64910857538922 15.999 14 O 0.83708637864422 0.93837773717112 0.85089142461078 15.999 *15 O 0.80306263407367 0.37372540843625 0.15876875625841 15.999 16 O 0.33708637864422 0.56162226282888 0.14910857538922 15.999 *17 O 0.57559997916082 0.38511354873979 0.08892746471247 15.999 18 O 0.42440002083918 0.38511354873979 0.41107253528753 15.999 19 O 0.92440002083918 0.11488645126021 0.58892746471247 15.999 20 O 0.07559997916082 0.11488645126021 0.91107253528753 15.999 21 O 0.42440002083918 0.61488645126021 0.91107253528753 15.999 22 O 0.57559997916082 0.61488645126021 0.58892746471247 15.999 23 O 0.07559997916082 0.88511354873979 0.41107253528753 15.999 24 O 0.92440002083918 0.88511354873979 0.08892746471247 15.999 *25 O 0.50000000000000 0.97611577280459 0.25000000000000 15.999 26 O 0.00000000000000 0.52388422719541 0.75000000000000 15.999 27 O 0.50000000000000 0.02388422719541 0.75000000000000 15.999 28 O 0.00000000000000 0.47611577280459 0.25000000000000 15.999 29 O 0.69693736592633 0.87372540843625 0.15876875625841 15.999 30 O 0.30306263407367 0.87372540843625 0.34123124374159 15.999 31 O 0.80306263407367 0.62627459156375 0.65876875625841 15.999 32 O 0.19693736592633 0.62627459156375 0.84123124374159 15.999 33 O 0.30306263407367 0.12627459156375 0.84123124374159 15.999 34 O 0.69693736592633 0.12627459156375 0.65876875625841 15.999 35 O 0.19693736592633 0.37372540843625 0.34123124374159 15.999 36 O 0.66291362135578 0.56162226282888 0.35089142461078 15.999 *37 Sm 0.98810875364643 0.25825509863643 0.08979911793737 150.360 38 Sm 0.01189124635357 0.25825509863643 0.41020088206263 150.360 39 Sm 0.51189124635357 0.24174490136357 0.58979911793737 150.360 40 Sm 0.48810875364643 0.24174490136357 0.91020088206263 150.360 41 Sm 0.01189124635357 0.74174490136357 0.91020088206263 150.360 42 Sm 0.98810875364643 0.74174490136357 0.58979911793737 150.360 43 Sm 0.48810875364643 0.75825509863643 0.41020088206263 150.360 44 Sm 0.51189124635357 0.75825509863643 0.08979911793737 150.360 *45 Sm 0.65903844795150 0.19762712325934 0.26430617747098 150.360 46 Sm 0.34096155204850 0.19762712325934 0.23569382252902 150.360 47 Sm 0.84096155204850 0.30237287674066 0.76430617747097 150.360 48 Sm 0.15903844795150 0.30237287674066 0.73569382252903 150.360 49 Sm 0.34096155204850 0.80237287674066 0.73569382252903 150.360 50 Sm 0.65903844795150 0.80237287674066 0.76430617747097 150.360 51 Sm 0.15903844795150 0.69762712325934 0.23569382252902 150.360 52 Sm 0.84096155204850 0.69762712325934 0.26430617747098 150.360 *53 Au 0.72793407381789 0.41870554471036 0.01061031276439 196.967 54 Au 0.27206592618211 0.41870554471036 0.48938968723561 196.967 55 Au 0.77206592618211 0.08129445528964 0.51061031276439 196.967 56 Au 0.22793407381789 0.08129445528964 0.98938968723561 196.967 57 Au 0.27206592618211 0.58129445528964 0.98938968723561 196.967 58 Au 0.72793407381789 0.58129445528964 0.51061031276439 196.967 59 Au 0.22793407381789 0.91870554471036 0.48938968723561 196.967 60 Au 0.77206592618211 0.91870554471036 0.01061031276439 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.999348980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): *1 O 0.61494835396203 0.06049980599486 0.44565984895981 15.999 > 1 2 O 0.38505164603797 0.06049980599486 0.05434015104019 15.999 > 2 3 O 0.88505164603797 0.43950019400514 0.94565984895981 15.999 > 3 4 O 0.11494835396203 0.43950019400514 0.55434015104019 15.999 > 4 5 O 0.38505164603797 0.93950019400513 0.55434015104019 15.999 > 5 6 O 0.61494835396203 0.93950019400513 0.94565984895981 15.999 > 6 7 O 0.11494835396203 0.56049980599487 0.05434015104019 15.999 > 7 8 O 0.88505164603797 0.56049980599487 0.44565984895981 15.999 > 8 *9 O 0.83708637864422 0.06162226282888 0.35089142461078 15.999 > 9 10 O 0.16291362135578 0.06162226282888 0.14910857538922 15.999 > 10 11 O 0.66291362135578 0.43837773717112 0.85089142461078 15.999 > 11 12 O 0.33708637864422 0.43837773717112 0.64910857538922 15.999 > 12 13 O 0.16291362135578 0.93837773717112 0.64910857538922 15.999 > 13 14 O 0.83708637864422 0.93837773717112 0.85089142461078 15.999 > 14 *15 O 0.80306263407367 0.37372540843625 0.15876875625841 15.999 > 15 16 O 0.33708637864422 0.56162226282888 0.14910857538922 15.999 > 16 *17 O 0.57559997916082 0.38511354873979 0.08892746471247 15.999 > 17 18 O 0.42440002083918 0.38511354873979 0.41107253528753 15.999 > 18 19 O 0.92440002083918 0.11488645126021 0.58892746471247 15.999 > 19 20 O 0.07559997916082 0.11488645126021 0.91107253528753 15.999 > 20 21 O 0.42440002083918 0.61488645126021 0.91107253528753 15.999 > 21 22 O 0.57559997916082 0.61488645126021 0.58892746471247 15.999 > 22 23 O 0.07559997916082 0.88511354873979 0.41107253528753 15.999 > 23 24 O 0.92440002083918 0.88511354873979 0.08892746471247 15.999 > 24 *25 O 0.50000000000000 0.97611577280459 0.25000000000000 15.999 > 25 26 O 0.00000000000000 0.52388422719541 0.75000000000000 15.999 > 26 27 O 0.50000000000000 0.02388422719541 0.75000000000000 15.999 > 27 28 O 0.00000000000000 0.47611577280459 0.25000000000000 15.999 > 28 29 O 0.69693736592633 0.87372540843625 0.15876875625841 15.999 > 29 30 O 0.30306263407367 0.87372540843625 0.34123124374159 15.999 > 30 31 O 0.80306263407367 0.62627459156375 0.65876875625841 15.999 > 31 32 O 0.19693736592633 0.62627459156375 0.84123124374159 15.999 > 32 33 O 0.30306263407367 0.12627459156375 0.84123124374159 15.999 > 33 34 O 0.69693736592633 0.12627459156375 0.65876875625841 15.999 > 34 35 O 0.19693736592633 0.37372540843625 0.34123124374159 15.999 > 35 36 O 0.66291362135578 0.56162226282888 0.35089142461078 15.999 > 36 *37 Sm 0.98810875364643 0.25825509863643 0.08979911793737 150.360 > 37 38 Sm 0.01189124635357 0.25825509863643 0.41020088206263 150.360 > 38 39 Sm 0.51189124635357 0.24174490136357 0.58979911793737 150.360 > 39 40 Sm 0.48810875364643 0.24174490136357 0.91020088206263 150.360 > 40 41 Sm 0.01189124635357 0.74174490136357 0.91020088206263 150.360 > 41 42 Sm 0.98810875364643 0.74174490136357 0.58979911793737 150.360 > 42 43 Sm 0.48810875364643 0.75825509863643 0.41020088206263 150.360 > 43 44 Sm 0.51189124635357 0.75825509863643 0.08979911793737 150.360 > 44 *45 Sm 0.65903844795150 0.19762712325934 0.26430617747098 150.360 > 45 46 Sm 0.34096155204850 0.19762712325934 0.23569382252902 150.360 > 46 47 Sm 0.84096155204850 0.30237287674066 0.76430617747097 150.360 > 47 48 Sm 0.15903844795150 0.30237287674066 0.73569382252903 150.360 > 48 49 Sm 0.34096155204850 0.80237287674066 0.73569382252903 150.360 > 49 50 Sm 0.65903844795150 0.80237287674066 0.76430617747097 150.360 > 50 51 Sm 0.15903844795150 0.69762712325934 0.23569382252902 150.360 > 51 52 Sm 0.84096155204850 0.69762712325934 0.26430617747098 150.360 > 52 *53 Au 0.72793407381789 0.41870554471036 0.01061031276439 196.967 > 53 54 Au 0.27206592618211 0.41870554471036 0.48938968723561 196.967 > 54 55 Au 0.77206592618211 0.08129445528964 0.51061031276439 196.967 > 55 56 Au 0.22793407381789 0.08129445528964 0.98938968723561 196.967 > 56 57 Au 0.27206592618211 0.58129445528964 0.98938968723561 196.967 > 57 58 Au 0.72793407381789 0.58129445528964 0.51061031276439 196.967 > 58 59 Au 0.22793407381789 0.91870554471036 0.48938968723561 196.967 > 59 60 Au 0.77206592618211 0.91870554471036 0.01061031276439 196.967 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.998697959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): *1 O 0.61494835396203 0.03024990299743 0.44565984895981 15.999 > 1 2 O 0.61494835396203 0.53024990299743 0.44565984895981 15.999 > 1 3 O 0.38505164603797 0.03024990299743 0.05434015104019 15.999 > 2 4 O 0.38505164603797 0.53024990299743 0.05434015104019 15.999 > 2 5 O 0.88505164603797 0.21975009700257 0.94565984895981 15.999 > 3 6 O 0.88505164603797 0.71975009700257 0.94565984895981 15.999 > 3 7 O 0.11494835396203 0.21975009700257 0.55434015104019 15.999 > 4 8 O 0.11494835396203 0.71975009700257 0.55434015104019 15.999 > 4 9 O 0.38505164603797 0.46975009700257 0.55434015104019 15.999 > 5 10 O 0.38505164603797 0.96975009700257 0.55434015104019 15.999 > 5 11 O 0.61494835396203 0.46975009700257 0.94565984895981 15.999 > 6 12 O 0.61494835396203 0.96975009700257 0.94565984895981 15.999 > 6 13 O 0.11494835396203 0.28024990299743 0.05434015104019 15.999 > 7 14 O 0.11494835396203 0.78024990299743 0.05434015104019 15.999 > 7 15 O 0.88505164603797 0.28024990299743 0.44565984895981 15.999 > 8 16 O 0.88505164603797 0.78024990299743 0.44565984895981 15.999 > 8 *17 O 0.83708637864422 0.03081113141444 0.35089142461078 15.999 > 9 18 O 0.83708637864422 0.53081113141444 0.35089142461078 15.999 > 9 19 O 0.16291362135578 0.03081113141444 0.14910857538922 15.999 > 10 20 O 0.16291362135578 0.53081113141444 0.14910857538922 15.999 > 10 21 O 0.66291362135578 0.21918886858556 0.85089142461078 15.999 > 11 22 O 0.66291362135578 0.71918886858556 0.85089142461078 15.999 > 11 23 O 0.33708637864422 0.21918886858556 0.64910857538922 15.999 > 12 24 O 0.33708637864422 0.71918886858556 0.64910857538922 15.999 > 12 25 O 0.16291362135578 0.46918886858556 0.64910857538922 15.999 > 13 26 O 0.16291362135578 0.96918886858556 0.64910857538922 15.999 > 13 27 O 0.83708637864422 0.46918886858556 0.85089142461078 15.999 > 14 28 O 0.83708637864422 0.96918886858556 0.85089142461078 15.999 > 14 *29 O 0.80306263407367 0.18686270421812 0.15876875625841 15.999 > 15 30 O 0.80306263407367 0.68686270421812 0.15876875625841 15.999 > 15 31 O 0.33708637864422 0.28081113141444 0.14910857538922 15.999 > 16 32 O 0.33708637864422 0.78081113141444 0.14910857538922 15.999 > 16 *33 O 0.57559997916082 0.19255677436990 0.08892746471247 15.999 > 17 34 O 0.57559997916082 0.69255677436990 0.08892746471247 15.999 > 17 35 O 0.42440002083918 0.19255677436990 0.41107253528753 15.999 > 18 36 O 0.42440002083918 0.69255677436990 0.41107253528753 15.999 > 18 37 O 0.92440002083918 0.05744322563010 0.58892746471247 15.999 > 19 38 O 0.92440002083918 0.55744322563010 0.58892746471247 15.999 > 19 39 O 0.07559997916082 0.05744322563010 0.91107253528753 15.999 > 20 40 O 0.07559997916082 0.55744322563010 0.91107253528753 15.999 > 20 41 O 0.42440002083918 0.30744322563010 0.91107253528753 15.999 > 21 42 O 0.42440002083918 0.80744322563010 0.91107253528753 15.999 > 21 43 O 0.57559997916082 0.30744322563010 0.58892746471247 15.999 > 22 44 O 0.57559997916082 0.80744322563010 0.58892746471247 15.999 > 22 45 O 0.07559997916082 0.44255677436990 0.41107253528753 15.999 > 23 46 O 0.07559997916082 0.94255677436990 0.41107253528753 15.999 > 23 47 O 0.92440002083918 0.44255677436990 0.08892746471247 15.999 > 24 48 O 0.92440002083918 0.94255677436990 0.08892746471247 15.999 > 24 *49 O 0.50000000000000 0.48805788640229 0.25000000000000 15.999 > 25 50 O 0.50000000000000 0.98805788640229 0.25000000000000 15.999 > 25 51 O 0.00000000000000 0.26194211359771 0.75000000000000 15.999 > 26 52 O 0.00000000000000 0.76194211359771 0.75000000000000 15.999 > 26 53 O 0.50000000000000 0.01194211359771 0.75000000000000 15.999 > 27 54 O 0.50000000000000 0.51194211359771 0.75000000000000 15.999 > 27 55 O 0.00000000000000 0.23805788640229 0.25000000000000 15.999 > 28 56 O 0.00000000000000 0.73805788640229 0.25000000000000 15.999 > 28 57 O 0.69693736592633 0.43686270421812 0.15876875625841 15.999 > 29 58 O 0.69693736592633 0.93686270421812 0.15876875625841 15.999 > 29 59 O 0.30306263407367 0.43686270421812 0.34123124374159 15.999 > 30 60 O 0.30306263407367 0.93686270421812 0.34123124374159 15.999 > 30 61 O 0.80306263407367 0.31313729578188 0.65876875625841 15.999 > 31 62 O 0.80306263407367 0.81313729578188 0.65876875625841 15.999 > 31 63 O 0.19693736592633 0.31313729578188 0.84123124374159 15.999 > 32 64 O 0.19693736592633 0.81313729578188 0.84123124374159 15.999 > 32 65 O 0.30306263407367 0.06313729578188 0.84123124374159 15.999 > 33 66 O 0.30306263407367 0.56313729578188 0.84123124374159 15.999 > 33 67 O 0.69693736592633 0.06313729578188 0.65876875625841 15.999 > 34 68 O 0.69693736592633 0.56313729578188 0.65876875625841 15.999 > 34 69 O 0.19693736592633 0.18686270421812 0.34123124374159 15.999 > 35 70 O 0.19693736592633 0.68686270421812 0.34123124374159 15.999 > 35 71 O 0.66291362135578 0.28081113141444 0.35089142461078 15.999 > 36 72 O 0.66291362135578 0.78081113141444 0.35089142461078 15.999 > 36 *73 Sm 0.98810875364643 0.12912754931821 0.08979911793737 150.360 > 37 74 Sm 0.98810875364643 0.62912754931821 0.08979911793737 150.360 > 37 75 Sm 0.01189124635357 0.12912754931821 0.41020088206263 150.360 > 38 76 Sm 0.01189124635357 0.62912754931821 0.41020088206263 150.360 > 38 77 Sm 0.51189124635357 0.12087245068179 0.58979911793737 150.360 > 39 78 Sm 0.51189124635357 0.62087245068179 0.58979911793737 150.360 > 39 79 Sm 0.48810875364643 0.12087245068179 0.91020088206263 150.360 > 40 80 Sm 0.48810875364643 0.62087245068179 0.91020088206263 150.360 > 40 81 Sm 0.01189124635357 0.37087245068179 0.91020088206263 150.360 > 41 82 Sm 0.01189124635357 0.87087245068179 0.91020088206263 150.360 > 41 83 Sm 0.98810875364643 0.37087245068179 0.58979911793737 150.360 > 42 84 Sm 0.98810875364643 0.87087245068179 0.58979911793737 150.360 > 42 85 Sm 0.48810875364643 0.37912754931821 0.41020088206263 150.360 > 43 86 Sm 0.48810875364643 0.87912754931821 0.41020088206263 150.360 > 43 87 Sm 0.51189124635357 0.37912754931821 0.08979911793737 150.360 > 44 88 Sm 0.51189124635357 0.87912754931821 0.08979911793737 150.360 > 44 *89 Sm 0.65903844795150 0.09881356162967 0.26430617747098 150.360 > 45 90 Sm 0.65903844795150 0.59881356162967 0.26430617747098 150.360 > 45 91 Sm 0.34096155204850 0.09881356162967 0.23569382252902 150.360 > 46 92 Sm 0.34096155204850 0.59881356162967 0.23569382252902 150.360 > 46 93 Sm 0.84096155204850 0.15118643837033 0.76430617747097 150.360 > 47 94 Sm 0.84096155204850 0.65118643837033 0.76430617747097 150.360 > 47 95 Sm 0.15903844795150 0.15118643837033 0.73569382252903 150.360 > 48 96 Sm 0.15903844795150 0.65118643837033 0.73569382252903 150.360 > 48 97 Sm 0.34096155204850 0.40118643837033 0.73569382252903 150.360 > 49 98 Sm 0.34096155204850 0.90118643837033 0.73569382252903 150.360 > 49 99 Sm 0.65903844795150 0.40118643837033 0.76430617747097 150.360 > 50 100 Sm 0.65903844795150 0.90118643837033 0.76430617747097 150.360 > 50 101 Sm 0.15903844795150 0.34881356162967 0.23569382252902 150.360 > 51 102 Sm 0.15903844795150 0.84881356162967 0.23569382252902 150.360 > 51 103 Sm 0.84096155204850 0.34881356162967 0.26430617747098 150.360 > 52 104 Sm 0.84096155204850 0.84881356162967 0.26430617747098 150.360 > 52 *105 Au 0.72793407381789 0.20935277235518 0.01061031276439 196.967 > 53 106 Au 0.72793407381789 0.70935277235518 0.01061031276439 196.967 > 53 107 Au 0.27206592618211 0.20935277235518 0.48938968723561 196.967 > 54 108 Au 0.27206592618211 0.70935277235518 0.48938968723561 196.967 > 54 109 Au 0.77206592618211 0.04064722764482 0.51061031276439 196.967 > 55 110 Au 0.77206592618211 0.54064722764482 0.51061031276439 196.967 > 55 111 Au 0.22793407381789 0.04064722764482 0.98938968723561 196.967 > 56 112 Au 0.22793407381789 0.54064722764482 0.98938968723561 196.967 > 56 113 Au 0.27206592618211 0.29064722764482 0.98938968723561 196.967 > 57 114 Au 0.27206592618211 0.79064722764482 0.98938968723561 196.967 > 57 115 Au 0.72793407381789 0.29064722764482 0.51061031276439 196.967 > 58 116 Au 0.72793407381789 0.79064722764482 0.51061031276439 196.967 > 58 117 Au 0.22793407381789 0.45935277235518 0.48938968723561 196.967 > 59 118 Au 0.22793407381789 0.95935277235518 0.48938968723561 196.967 > 59 119 Au 0.77206592618211 0.45935277235518 0.01061031276439 196.967 > 60 120 Au 0.77206592618211 0.95935277235518 0.01061031276439 196.967 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7402686 0.0000000 0.0000000 0.0000000 4.7765407 0.0000000 0.0000000 0.0000000 5.6564422 -------------------------- Born effective charges -------------------------- 1 O -2.7679773 -0.3512162 -0.0242490 -0.2344224 -1.7015643 -0.0340954 -0.2536025 -0.1332547 -1.8338325 2 O -2.7679773 0.3512162 -0.0242490 0.2344224 -1.7015643 0.0340954 -0.2536025 0.1332547 -1.8338325 3 O -2.7679773 -0.3512162 0.0242490 -0.2344224 -1.7015643 0.0340954 0.2536025 0.1332547 -1.8338325 4 O -2.7679773 0.3512162 0.0242490 0.2344224 -1.7015643 -0.0340954 0.2536025 -0.1332547 -1.8338325 5 O -2.7679773 -0.3512162 -0.0242490 -0.2344224 -1.7015643 -0.0340954 -0.2536025 -0.1332547 -1.8338325 6 O -2.7679773 0.3512162 -0.0242490 0.2344224 -1.7015643 0.0340954 -0.2536025 0.1332547 -1.8338325 7 O -2.7679773 -0.3512162 0.0242490 -0.2344224 -1.7015643 0.0340954 0.2536025 0.1332547 -1.8338325 8 O -2.7679773 0.3512162 0.0242490 0.2344224 -1.7015643 -0.0340954 0.2536025 -0.1332547 -1.8338325 9 O -1.9964544 0.0643186 0.2161813 -0.1063695 -1.7973421 -0.2457514 0.0377997 -0.4802465 -2.6999344 10 O -1.9964544 -0.0643186 0.2161813 0.1063695 -1.7973421 0.2457514 0.0377997 0.4802465 -2.6999344 11 O -1.9964544 0.0643186 -0.2161813 -0.1063695 -1.7973421 0.2457514 -0.0377997 0.4802465 -2.6999344 12 O -1.9964544 -0.0643186 -0.2161813 0.1063695 -1.7973421 -0.2457514 -0.0377997 -0.4802465 -2.6999344 13 O -1.9964544 0.0643186 0.2161813 -0.1063695 -1.7973421 -0.2457514 0.0377997 -0.4802465 -2.6999344 14 O -1.9964544 -0.0643186 0.2161813 0.1063695 -1.7973421 0.2457514 0.0377997 0.4802465 -2.6999344 15 O -1.6529419 -0.1046955 -0.1043186 -0.0961869 -1.7370897 -0.0737771 -0.0199269 -0.2451023 -2.6461158 16 O -1.9964544 0.0643186 -0.2161813 -0.1063695 -1.7973421 0.2457514 -0.0377997 0.4802465 -2.6999344 17 O -2.4177386 0.3109951 0.2369144 0.0530112 -1.9013354 0.0270806 0.1617521 0.0091787 -1.8145423 18 O -2.4177386 -0.3109951 0.2369144 -0.0530112 -1.9013354 -0.0270806 0.1617521 -0.0091787 -1.8145423 19 O -2.4177386 0.3109951 -0.2369144 0.0530112 -1.9013354 -0.0270806 -0.1617521 -0.0091787 -1.8145423 20 O -2.4177386 -0.3109951 -0.2369144 -0.0530112 -1.9013354 0.0270806 -0.1617521 0.0091787 -1.8145423 21 O -2.4177386 0.3109951 0.2369144 0.0530112 -1.9013354 0.0270806 0.1617521 0.0091787 -1.8145423 22 O -2.4177386 -0.3109951 0.2369144 -0.0530112 -1.9013354 -0.0270806 0.1617521 -0.0091787 -1.8145423 23 O -2.4177386 0.3109951 -0.2369144 0.0530112 -1.9013354 -0.0270806 -0.1617521 -0.0091787 -1.8145423 24 O -2.4177386 -0.3109951 -0.2369144 -0.0530112 -1.9013354 0.0270806 -0.1617521 0.0091787 -1.8145423 25 O -2.9325641 0.0000000 -0.1284285 0.0000000 -2.4169134 0.0000000 0.2017191 0.0000000 -2.9096327 26 O -2.9325641 0.0000000 0.1284285 0.0000000 -2.4169134 0.0000000 -0.2017191 0.0000000 -2.9096327 27 O -2.9325641 0.0000000 -0.1284285 0.0000000 -2.4169134 0.0000000 0.2017191 0.0000000 -2.9096327 28 O -2.9325641 0.0000000 0.1284285 0.0000000 -2.4169134 0.0000000 -0.2017191 0.0000000 -2.9096327 29 O -1.6529419 0.1046955 0.1043186 0.0961869 -1.7370897 -0.0737771 0.0199269 -0.2451023 -2.6461158 30 O -1.6529419 -0.1046955 0.1043186 -0.0961869 -1.7370897 0.0737771 0.0199269 0.2451023 -2.6461158 31 O -1.6529419 0.1046955 -0.1043186 0.0961869 -1.7370897 0.0737771 -0.0199269 0.2451023 -2.6461158 32 O -1.6529419 -0.1046955 -0.1043186 -0.0961869 -1.7370897 -0.0737771 -0.0199269 -0.2451023 -2.6461158 33 O -1.6529419 0.1046955 0.1043186 0.0961869 -1.7370897 -0.0737771 0.0199269 -0.2451023 -2.6461158 34 O -1.6529419 -0.1046955 0.1043186 -0.0961869 -1.7370897 0.0737771 0.0199269 0.2451023 -2.6461158 35 O -1.6529419 0.1046955 -0.1043186 0.0961869 -1.7370897 0.0737771 -0.0199269 0.2451023 -2.6461158 36 O -1.9964544 -0.0643186 -0.2161813 0.1063695 -1.7973421 -0.2457514 -0.0377997 -0.4802465 -2.6999344 37 Sm 4.9083630 0.2727494 0.0154633 -0.1647428 4.0842206 0.5921992 -0.0890935 0.5034890 3.2400899 38 Sm 4.9083630 -0.2727494 0.0154633 0.1647428 4.0842206 -0.5921992 -0.0890935 -0.5034890 3.2400899 39 Sm 4.9083630 0.2727494 -0.0154633 -0.1647428 4.0842206 -0.5921992 0.0890935 -0.5034890 3.2400899 40 Sm 4.9083630 -0.2727494 -0.0154633 0.1647428 4.0842206 0.5921992 0.0890935 0.5034890 3.2400899 41 Sm 4.9083630 0.2727494 0.0154633 -0.1647428 4.0842206 0.5921992 -0.0890935 0.5034890 3.2400899 42 Sm 4.9083630 -0.2727494 0.0154633 0.1647428 4.0842206 -0.5921992 -0.0890935 -0.5034890 3.2400899 43 Sm 4.9083630 0.2727494 -0.0154633 -0.1647428 4.0842206 -0.5921992 0.0890935 -0.5034890 3.2400899 44 Sm 4.9083630 -0.2727494 -0.0154633 0.1647428 4.0842206 0.5921992 0.0890935 0.5034890 3.2400899 45 Sm 3.3220867 0.3573693 -0.0879174 0.4418816 4.0273595 -0.2195069 -0.1338817 0.3091518 4.9667108 46 Sm 3.3220867 -0.3573693 -0.0879174 -0.4418816 4.0273595 0.2195069 -0.1338817 -0.3091518 4.9667108 47 Sm 3.3220867 0.3573693 0.0879174 0.4418816 4.0273595 0.2195069 0.1338817 -0.3091518 4.9667108 48 Sm 3.3220867 -0.3573693 0.0879174 -0.4418816 4.0273595 -0.2195069 0.1338817 0.3091518 4.9667108 49 Sm 3.3220867 0.3573693 -0.0879174 0.4418816 4.0273595 -0.2195069 -0.1338817 0.3091518 4.9667108 50 Sm 3.3220867 -0.3573693 -0.0879174 -0.4418816 4.0273595 0.2195069 -0.1338817 -0.3091518 4.9667108 51 Sm 3.3220867 0.3573693 0.0879174 0.4418816 4.0273595 0.2195069 0.1338817 -0.3091518 4.9667108 52 Sm 3.3220867 -0.3573693 0.0879174 -0.4418816 4.0273595 -0.2195069 0.1338817 0.3091518 4.9667108 53 Au 2.0709445 0.1121883 0.0028241 0.1555955 0.2342081 -0.2231691 -0.0156435 -0.2911109 2.2424406 54 Au 2.0709445 -0.1121883 0.0028241 -0.1555955 0.2342081 0.2231691 -0.0156435 0.2911109 2.2424406 55 Au 2.0709445 0.1121883 -0.0028241 0.1555955 0.2342081 0.2231691 0.0156435 0.2911109 2.2424406 56 Au 2.0709445 -0.1121883 -0.0028241 -0.1555955 0.2342081 -0.2231691 0.0156435 -0.2911109 2.2424406 57 Au 2.0709445 0.1121883 0.0028241 0.1555955 0.2342081 -0.2231691 -0.0156435 -0.2911109 2.2424406 58 Au 2.0709445 -0.1121883 0.0028241 -0.1555955 0.2342081 0.2231691 -0.0156435 0.2911109 2.2424406 59 Au 2.0709445 0.1121883 -0.0028241 0.1555955 0.2342081 0.2231691 0.0156435 0.2911109 2.2424406 60 Au 2.0709445 -0.1121883 -0.0028241 -0.1555955 0.2342081 -0.2231691 0.0156435 -0.2911109 2.2424406 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 390 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 14), data: (904, 30) @ (30, 14) |-- (404, 390), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.107 Solver_block: 200 / 960 - Time: 1.048 Solver_block: 300 / 960 - Time: 1.030 Solver_block: 400 / 960 - Time: 1.034 Solver_block: 500 / 960 - Time: 1.030 Solver_block: 600 / 960 - Time: 1.046 Solver_block: 700 / 960 - Time: 1.034 Solver_block: 800 / 960 - Time: 1.033 Solver_block: 900 / 960 - Time: 1.032 Solver_block: 960 / 960 - Time: 0.674 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.318 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 390 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 14), data: (904, 30) @ (30, 14) |-- (404, 390), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:50:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:50:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.999348980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): 1 O 0.61494835396203 0.06049980599486 0.44565984895981 15.999 2 O 0.38505164603797 0.06049980599486 0.05434015104019 15.999 3 O 0.88505164603797 0.43950019400514 0.94565984895981 15.999 4 O 0.11494835396203 0.43950019400514 0.55434015104019 15.999 5 O 0.38505164603797 0.93950019400513 0.55434015104019 15.999 6 O 0.61494835396203 0.93950019400513 0.94565984895981 15.999 7 O 0.11494835396203 0.56049980599487 0.05434015104019 15.999 8 O 0.88505164603797 0.56049980599487 0.44565984895981 15.999 9 O 0.83708637864422 0.06162226282888 0.35089142461078 15.999 10 O 0.16291362135578 0.06162226282888 0.14910857538922 15.999 11 O 0.66291362135578 0.43837773717112 0.85089142461078 15.999 12 O 0.33708637864422 0.43837773717112 0.64910857538922 15.999 13 O 0.16291362135578 0.93837773717112 0.64910857538922 15.999 14 O 0.83708637864422 0.93837773717112 0.85089142461078 15.999 15 O 0.80306263407367 0.37372540843625 0.15876875625841 15.999 16 O 0.33708637864422 0.56162226282888 0.14910857538922 15.999 17 O 0.57559997916082 0.38511354873979 0.08892746471247 15.999 18 O 0.42440002083918 0.38511354873979 0.41107253528753 15.999 19 O 0.92440002083918 0.11488645126021 0.58892746471247 15.999 20 O 0.07559997916082 0.11488645126021 0.91107253528753 15.999 21 O 0.42440002083918 0.61488645126021 0.91107253528753 15.999 22 O 0.57559997916082 0.61488645126021 0.58892746471247 15.999 23 O 0.07559997916082 0.88511354873979 0.41107253528753 15.999 24 O 0.92440002083918 0.88511354873979 0.08892746471247 15.999 25 O 0.50000000000000 0.97611577280459 0.25000000000000 15.999 26 O 0.00000000000000 0.52388422719541 0.75000000000000 15.999 27 O 0.50000000000000 0.02388422719541 0.75000000000000 15.999 28 O 0.00000000000000 0.47611577280459 0.25000000000000 15.999 29 O 0.69693736592633 0.87372540843625 0.15876875625841 15.999 30 O 0.30306263407367 0.87372540843625 0.34123124374159 15.999 31 O 0.80306263407367 0.62627459156375 0.65876875625841 15.999 32 O 0.19693736592633 0.62627459156375 0.84123124374159 15.999 33 O 0.30306263407367 0.12627459156375 0.84123124374159 15.999 34 O 0.69693736592633 0.12627459156375 0.65876875625841 15.999 35 O 0.19693736592633 0.37372540843625 0.34123124374159 15.999 36 O 0.66291362135578 0.56162226282888 0.35089142461078 15.999 37 Sm 0.98810875364643 0.25825509863643 0.08979911793737 150.360 38 Sm 0.01189124635357 0.25825509863643 0.41020088206263 150.360 39 Sm 0.51189124635357 0.24174490136357 0.58979911793737 150.360 40 Sm 0.48810875364643 0.24174490136357 0.91020088206263 150.360 41 Sm 0.01189124635357 0.74174490136357 0.91020088206263 150.360 42 Sm 0.98810875364643 0.74174490136357 0.58979911793737 150.360 43 Sm 0.48810875364643 0.75825509863643 0.41020088206263 150.360 44 Sm 0.51189124635357 0.75825509863643 0.08979911793737 150.360 45 Sm 0.65903844795150 0.19762712325934 0.26430617747098 150.360 46 Sm 0.34096155204850 0.19762712325934 0.23569382252902 150.360 47 Sm 0.84096155204850 0.30237287674066 0.76430617747097 150.360 48 Sm 0.15903844795150 0.30237287674066 0.73569382252903 150.360 49 Sm 0.34096155204850 0.80237287674066 0.73569382252903 150.360 50 Sm 0.65903844795150 0.80237287674066 0.76430617747097 150.360 51 Sm 0.15903844795150 0.69762712325934 0.23569382252902 150.360 52 Sm 0.84096155204850 0.69762712325934 0.26430617747098 150.360 53 Au 0.72793407381789 0.41870554471036 0.01061031276439 196.967 54 Au 0.27206592618211 0.41870554471036 0.48938968723561 196.967 55 Au 0.77206592618211 0.08129445528964 0.51061031276439 196.967 56 Au 0.22793407381789 0.08129445528964 0.98938968723561 196.967 57 Au 0.27206592618211 0.58129445528964 0.98938968723561 196.967 58 Au 0.72793407381789 0.58129445528964 0.51061031276439 196.967 59 Au 0.22793407381789 0.91870554471036 0.48938968723561 196.967 60 Au 0.77206592618211 0.91870554471036 0.01061031276439 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.998697959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): 1 O 0.61494835396203 0.03024990299743 0.44565984895981 15.999 > 1 2 O 0.61494835396203 0.53024990299743 0.44565984895981 15.999 > 1 3 O 0.38505164603797 0.03024990299743 0.05434015104019 15.999 > 3 4 O 0.38505164603797 0.53024990299743 0.05434015104019 15.999 > 3 5 O 0.88505164603797 0.21975009700257 0.94565984895981 15.999 > 5 6 O 0.88505164603797 0.71975009700257 0.94565984895981 15.999 > 5 7 O 0.11494835396203 0.21975009700257 0.55434015104019 15.999 > 7 8 O 0.11494835396203 0.71975009700257 0.55434015104019 15.999 > 7 9 O 0.38505164603797 0.46975009700257 0.55434015104019 15.999 > 9 10 O 0.38505164603797 0.96975009700257 0.55434015104019 15.999 > 9 11 O 0.61494835396203 0.46975009700257 0.94565984895981 15.999 > 11 12 O 0.61494835396203 0.96975009700257 0.94565984895981 15.999 > 11 13 O 0.11494835396203 0.28024990299743 0.05434015104019 15.999 > 13 14 O 0.11494835396203 0.78024990299743 0.05434015104019 15.999 > 13 15 O 0.88505164603797 0.28024990299743 0.44565984895981 15.999 > 15 16 O 0.88505164603797 0.78024990299743 0.44565984895981 15.999 > 15 17 O 0.83708637864422 0.03081113141444 0.35089142461078 15.999 > 17 18 O 0.83708637864422 0.53081113141444 0.35089142461078 15.999 > 17 19 O 0.16291362135578 0.03081113141444 0.14910857538922 15.999 > 19 20 O 0.16291362135578 0.53081113141444 0.14910857538922 15.999 > 19 21 O 0.66291362135578 0.21918886858556 0.85089142461078 15.999 > 21 22 O 0.66291362135578 0.71918886858556 0.85089142461078 15.999 > 21 23 O 0.33708637864422 0.21918886858556 0.64910857538922 15.999 > 23 24 O 0.33708637864422 0.71918886858556 0.64910857538922 15.999 > 23 25 O 0.16291362135578 0.46918886858556 0.64910857538922 15.999 > 25 26 O 0.16291362135578 0.96918886858556 0.64910857538922 15.999 > 25 27 O 0.83708637864422 0.46918886858556 0.85089142461078 15.999 > 27 28 O 0.83708637864422 0.96918886858556 0.85089142461078 15.999 > 27 29 O 0.80306263407367 0.18686270421812 0.15876875625841 15.999 > 29 30 O 0.80306263407367 0.68686270421812 0.15876875625841 15.999 > 29 31 O 0.33708637864422 0.28081113141444 0.14910857538922 15.999 > 31 32 O 0.33708637864422 0.78081113141444 0.14910857538922 15.999 > 31 33 O 0.57559997916082 0.19255677436990 0.08892746471247 15.999 > 33 34 O 0.57559997916082 0.69255677436990 0.08892746471247 15.999 > 33 35 O 0.42440002083918 0.19255677436990 0.41107253528753 15.999 > 35 36 O 0.42440002083918 0.69255677436990 0.41107253528753 15.999 > 35 37 O 0.92440002083918 0.05744322563010 0.58892746471247 15.999 > 37 38 O 0.92440002083918 0.55744322563010 0.58892746471247 15.999 > 37 39 O 0.07559997916082 0.05744322563010 0.91107253528753 15.999 > 39 40 O 0.07559997916082 0.55744322563010 0.91107253528753 15.999 > 39 41 O 0.42440002083918 0.30744322563010 0.91107253528753 15.999 > 41 42 O 0.42440002083918 0.80744322563010 0.91107253528753 15.999 > 41 43 O 0.57559997916082 0.30744322563010 0.58892746471247 15.999 > 43 44 O 0.57559997916082 0.80744322563010 0.58892746471247 15.999 > 43 45 O 0.07559997916082 0.44255677436990 0.41107253528753 15.999 > 45 46 O 0.07559997916082 0.94255677436990 0.41107253528753 15.999 > 45 47 O 0.92440002083918 0.44255677436990 0.08892746471247 15.999 > 47 48 O 0.92440002083918 0.94255677436990 0.08892746471247 15.999 > 47 49 O 0.50000000000000 0.48805788640229 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.98805788640229 0.25000000000000 15.999 > 49 51 O 0.00000000000000 0.26194211359771 0.75000000000000 15.999 > 51 52 O 0.00000000000000 0.76194211359771 0.75000000000000 15.999 > 51 53 O 0.50000000000000 0.01194211359771 0.75000000000000 15.999 > 53 54 O 0.50000000000000 0.51194211359771 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.23805788640229 0.25000000000000 15.999 > 55 56 O 0.00000000000000 0.73805788640229 0.25000000000000 15.999 > 55 57 O 0.69693736592633 0.43686270421812 0.15876875625841 15.999 > 57 58 O 0.69693736592633 0.93686270421812 0.15876875625841 15.999 > 57 59 O 0.30306263407367 0.43686270421812 0.34123124374159 15.999 > 59 60 O 0.30306263407367 0.93686270421812 0.34123124374159 15.999 > 59 61 O 0.80306263407367 0.31313729578188 0.65876875625841 15.999 > 61 62 O 0.80306263407367 0.81313729578188 0.65876875625841 15.999 > 61 63 O 0.19693736592633 0.31313729578188 0.84123124374159 15.999 > 63 64 O 0.19693736592633 0.81313729578188 0.84123124374159 15.999 > 63 65 O 0.30306263407367 0.06313729578188 0.84123124374159 15.999 > 65 66 O 0.30306263407367 0.56313729578188 0.84123124374159 15.999 > 65 67 O 0.69693736592633 0.06313729578188 0.65876875625841 15.999 > 67 68 O 0.69693736592633 0.56313729578188 0.65876875625841 15.999 > 67 69 O 0.19693736592633 0.18686270421812 0.34123124374159 15.999 > 69 70 O 0.19693736592633 0.68686270421812 0.34123124374159 15.999 > 69 71 O 0.66291362135578 0.28081113141444 0.35089142461078 15.999 > 71 72 O 0.66291362135578 0.78081113141444 0.35089142461078 15.999 > 71 73 Sm 0.98810875364643 0.12912754931821 0.08979911793737 150.360 > 73 74 Sm 0.98810875364643 0.62912754931821 0.08979911793737 150.360 > 73 75 Sm 0.01189124635357 0.12912754931821 0.41020088206263 150.360 > 75 76 Sm 0.01189124635357 0.62912754931821 0.41020088206263 150.360 > 75 77 Sm 0.51189124635357 0.12087245068179 0.58979911793737 150.360 > 77 78 Sm 0.51189124635357 0.62087245068179 0.58979911793737 150.360 > 77 79 Sm 0.48810875364643 0.12087245068179 0.91020088206263 150.360 > 79 80 Sm 0.48810875364643 0.62087245068179 0.91020088206263 150.360 > 79 81 Sm 0.01189124635357 0.37087245068179 0.91020088206263 150.360 > 81 82 Sm 0.01189124635357 0.87087245068179 0.91020088206263 150.360 > 81 83 Sm 0.98810875364643 0.37087245068179 0.58979911793737 150.360 > 83 84 Sm 0.98810875364643 0.87087245068179 0.58979911793737 150.360 > 83 85 Sm 0.48810875364643 0.37912754931821 0.41020088206263 150.360 > 85 86 Sm 0.48810875364643 0.87912754931821 0.41020088206263 150.360 > 85 87 Sm 0.51189124635357 0.37912754931821 0.08979911793737 150.360 > 87 88 Sm 0.51189124635357 0.87912754931821 0.08979911793737 150.360 > 87 89 Sm 0.65903844795150 0.09881356162967 0.26430617747098 150.360 > 89 90 Sm 0.65903844795150 0.59881356162967 0.26430617747098 150.360 > 89 91 Sm 0.34096155204850 0.09881356162967 0.23569382252902 150.360 > 91 92 Sm 0.34096155204850 0.59881356162967 0.23569382252902 150.360 > 91 93 Sm 0.84096155204850 0.15118643837033 0.76430617747097 150.360 > 93 94 Sm 0.84096155204850 0.65118643837033 0.76430617747097 150.360 > 93 95 Sm 0.15903844795150 0.15118643837033 0.73569382252903 150.360 > 95 96 Sm 0.15903844795150 0.65118643837033 0.73569382252903 150.360 > 95 97 Sm 0.34096155204850 0.40118643837033 0.73569382252903 150.360 > 97 98 Sm 0.34096155204850 0.90118643837033 0.73569382252903 150.360 > 97 99 Sm 0.65903844795150 0.40118643837033 0.76430617747097 150.360 > 99 100 Sm 0.65903844795150 0.90118643837033 0.76430617747097 150.360 > 99 101 Sm 0.15903844795150 0.34881356162967 0.23569382252902 150.360 > 101 102 Sm 0.15903844795150 0.84881356162967 0.23569382252902 150.360 > 101 103 Sm 0.84096155204850 0.34881356162967 0.26430617747098 150.360 > 103 104 Sm 0.84096155204850 0.84881356162967 0.26430617747098 150.360 > 103 105 Au 0.72793407381789 0.20935277235518 0.01061031276439 196.967 > 105 106 Au 0.72793407381789 0.70935277235518 0.01061031276439 196.967 > 105 107 Au 0.27206592618211 0.20935277235518 0.48938968723561 196.967 > 107 108 Au 0.27206592618211 0.70935277235518 0.48938968723561 196.967 > 107 109 Au 0.77206592618211 0.04064722764482 0.51061031276439 196.967 > 109 110 Au 0.77206592618211 0.54064722764482 0.51061031276439 196.967 > 109 111 Au 0.22793407381789 0.04064722764482 0.98938968723561 196.967 > 111 112 Au 0.22793407381789 0.54064722764482 0.98938968723561 196.967 > 111 113 Au 0.27206592618211 0.29064722764482 0.98938968723561 196.967 > 113 114 Au 0.27206592618211 0.79064722764482 0.98938968723561 196.967 > 113 115 Au 0.72793407381789 0.29064722764482 0.51061031276439 196.967 > 115 116 Au 0.72793407381789 0.79064722764482 0.51061031276439 196.967 > 115 117 Au 0.22793407381789 0.45935277235518 0.48938968723561 196.967 > 117 118 Au 0.22793407381789 0.95935277235518 0.48938968723561 196.967 > 117 119 Au 0.77206592618211 0.45935277235518 0.01061031276439 196.967 > 119 120 Au 0.77206592618211 0.95935277235518 0.01061031276439 196.967 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7402686 0.0000000 0.0000000 0.0000000 4.7765407 0.0000000 0.0000000 0.0000000 5.6564422 -------------------------- Born effective charges -------------------------- 1 O -2.7679773 -0.3512162 -0.0242490 -0.2344224 -1.7015643 -0.0340954 -0.2536025 -0.1332547 -1.8338325 2 O -2.7679773 0.3512162 -0.0242490 0.2344224 -1.7015643 0.0340954 -0.2536025 0.1332547 -1.8338325 3 O -2.7679773 -0.3512162 0.0242490 -0.2344224 -1.7015643 0.0340954 0.2536025 0.1332547 -1.8338325 4 O -2.7679773 0.3512162 0.0242490 0.2344224 -1.7015643 -0.0340954 0.2536025 -0.1332547 -1.8338325 5 O -2.7679773 -0.3512162 -0.0242490 -0.2344224 -1.7015643 -0.0340954 -0.2536025 -0.1332547 -1.8338325 6 O -2.7679773 0.3512162 -0.0242490 0.2344224 -1.7015643 0.0340954 -0.2536025 0.1332547 -1.8338325 7 O -2.7679773 -0.3512162 0.0242490 -0.2344224 -1.7015643 0.0340954 0.2536025 0.1332547 -1.8338325 8 O -2.7679773 0.3512162 0.0242490 0.2344224 -1.7015643 -0.0340954 0.2536025 -0.1332547 -1.8338325 9 O -1.9964544 0.0643186 0.2161813 -0.1063695 -1.7973421 -0.2457514 0.0377997 -0.4802465 -2.6999344 10 O -1.9964544 -0.0643186 0.2161813 0.1063695 -1.7973421 0.2457514 0.0377997 0.4802465 -2.6999344 11 O -1.9964544 0.0643186 -0.2161813 -0.1063695 -1.7973421 0.2457514 -0.0377997 0.4802465 -2.6999344 12 O -1.9964544 -0.0643186 -0.2161813 0.1063695 -1.7973421 -0.2457514 -0.0377997 -0.4802465 -2.6999344 13 O -1.9964544 0.0643186 0.2161813 -0.1063695 -1.7973421 -0.2457514 0.0377997 -0.4802465 -2.6999344 14 O -1.9964544 -0.0643186 0.2161813 0.1063695 -1.7973421 0.2457514 0.0377997 0.4802465 -2.6999344 15 O -1.6529419 -0.1046955 -0.1043186 -0.0961869 -1.7370897 -0.0737771 -0.0199269 -0.2451023 -2.6461158 16 O -1.9964544 0.0643186 -0.2161813 -0.1063695 -1.7973421 0.2457514 -0.0377997 0.4802465 -2.6999344 17 O -2.4177386 0.3109951 0.2369144 0.0530112 -1.9013354 0.0270806 0.1617521 0.0091787 -1.8145423 18 O -2.4177386 -0.3109951 0.2369144 -0.0530112 -1.9013354 -0.0270806 0.1617521 -0.0091787 -1.8145423 19 O -2.4177386 0.3109951 -0.2369144 0.0530112 -1.9013354 -0.0270806 -0.1617521 -0.0091787 -1.8145423 20 O -2.4177386 -0.3109951 -0.2369144 -0.0530112 -1.9013354 0.0270806 -0.1617521 0.0091787 -1.8145423 21 O -2.4177386 0.3109951 0.2369144 0.0530112 -1.9013354 0.0270806 0.1617521 0.0091787 -1.8145423 22 O -2.4177386 -0.3109951 0.2369144 -0.0530112 -1.9013354 -0.0270806 0.1617521 -0.0091787 -1.8145423 23 O -2.4177386 0.3109951 -0.2369144 0.0530112 -1.9013354 -0.0270806 -0.1617521 -0.0091787 -1.8145423 24 O -2.4177386 -0.3109951 -0.2369144 -0.0530112 -1.9013354 0.0270806 -0.1617521 0.0091787 -1.8145423 25 O -2.9325641 0.0000000 -0.1284285 0.0000000 -2.4169134 0.0000000 0.2017191 0.0000000 -2.9096327 26 O -2.9325641 0.0000000 0.1284285 0.0000000 -2.4169134 0.0000000 -0.2017191 0.0000000 -2.9096327 27 O -2.9325641 0.0000000 -0.1284285 0.0000000 -2.4169134 0.0000000 0.2017191 0.0000000 -2.9096327 28 O -2.9325641 0.0000000 0.1284285 0.0000000 -2.4169134 0.0000000 -0.2017191 0.0000000 -2.9096327 29 O -1.6529419 0.1046955 0.1043186 0.0961869 -1.7370897 -0.0737771 0.0199269 -0.2451023 -2.6461158 30 O -1.6529419 -0.1046955 0.1043186 -0.0961869 -1.7370897 0.0737771 0.0199269 0.2451023 -2.6461158 31 O -1.6529419 0.1046955 -0.1043186 0.0961869 -1.7370897 0.0737771 -0.0199269 0.2451023 -2.6461158 32 O -1.6529419 -0.1046955 -0.1043186 -0.0961869 -1.7370897 -0.0737771 -0.0199269 -0.2451023 -2.6461158 33 O -1.6529419 0.1046955 0.1043186 0.0961869 -1.7370897 -0.0737771 0.0199269 -0.2451023 -2.6461158 34 O -1.6529419 -0.1046955 0.1043186 -0.0961869 -1.7370897 0.0737771 0.0199269 0.2451023 -2.6461158 35 O -1.6529419 0.1046955 -0.1043186 0.0961869 -1.7370897 0.0737771 -0.0199269 0.2451023 -2.6461158 36 O -1.9964544 -0.0643186 -0.2161813 0.1063695 -1.7973421 -0.2457514 -0.0377997 -0.4802465 -2.6999344 37 Sm 4.9083630 0.2727494 0.0154633 -0.1647428 4.0842206 0.5921992 -0.0890935 0.5034890 3.2400899 38 Sm 4.9083630 -0.2727494 0.0154633 0.1647428 4.0842206 -0.5921992 -0.0890935 -0.5034890 3.2400899 39 Sm 4.9083630 0.2727494 -0.0154633 -0.1647428 4.0842206 -0.5921992 0.0890935 -0.5034890 3.2400899 40 Sm 4.9083630 -0.2727494 -0.0154633 0.1647428 4.0842206 0.5921992 0.0890935 0.5034890 3.2400899 41 Sm 4.9083630 0.2727494 0.0154633 -0.1647428 4.0842206 0.5921992 -0.0890935 0.5034890 3.2400899 42 Sm 4.9083630 -0.2727494 0.0154633 0.1647428 4.0842206 -0.5921992 -0.0890935 -0.5034890 3.2400899 43 Sm 4.9083630 0.2727494 -0.0154633 -0.1647428 4.0842206 -0.5921992 0.0890935 -0.5034890 3.2400899 44 Sm 4.9083630 -0.2727494 -0.0154633 0.1647428 4.0842206 0.5921992 0.0890935 0.5034890 3.2400899 45 Sm 3.3220867 0.3573693 -0.0879174 0.4418816 4.0273595 -0.2195069 -0.1338817 0.3091518 4.9667108 46 Sm 3.3220867 -0.3573693 -0.0879174 -0.4418816 4.0273595 0.2195069 -0.1338817 -0.3091518 4.9667108 47 Sm 3.3220867 0.3573693 0.0879174 0.4418816 4.0273595 0.2195069 0.1338817 -0.3091518 4.9667108 48 Sm 3.3220867 -0.3573693 0.0879174 -0.4418816 4.0273595 -0.2195069 0.1338817 0.3091518 4.9667108 49 Sm 3.3220867 0.3573693 -0.0879174 0.4418816 4.0273595 -0.2195069 -0.1338817 0.3091518 4.9667108 50 Sm 3.3220867 -0.3573693 -0.0879174 -0.4418816 4.0273595 0.2195069 -0.1338817 -0.3091518 4.9667108 51 Sm 3.3220867 0.3573693 0.0879174 0.4418816 4.0273595 0.2195069 0.1338817 -0.3091518 4.9667108 52 Sm 3.3220867 -0.3573693 0.0879174 -0.4418816 4.0273595 -0.2195069 0.1338817 0.3091518 4.9667108 53 Au 2.0709445 0.1121883 0.0028241 0.1555955 0.2342081 -0.2231691 -0.0156435 -0.2911109 2.2424406 54 Au 2.0709445 -0.1121883 0.0028241 -0.1555955 0.2342081 0.2231691 -0.0156435 0.2911109 2.2424406 55 Au 2.0709445 0.1121883 -0.0028241 0.1555955 0.2342081 0.2231691 0.0156435 0.2911109 2.2424406 56 Au 2.0709445 -0.1121883 -0.0028241 -0.1555955 0.2342081 -0.2231691 0.0156435 -0.2911109 2.2424406 57 Au 2.0709445 0.1121883 0.0028241 0.1555955 0.2342081 -0.2231691 -0.0156435 -0.2911109 2.2424406 58 Au 2.0709445 -0.1121883 0.0028241 -0.1555955 0.2342081 0.2231691 -0.0156435 0.2911109 2.2424406 59 Au 2.0709445 0.1121883 -0.0028241 0.1555955 0.2342081 0.2231691 0.0156435 0.2911109 2.2424406 60 Au 2.0709445 -0.1121883 -0.0028241 -0.1555955 0.2342081 -0.2231691 0.0156435 -0.2911109 2.2424406 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:51:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:51:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.999348980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): 1 O 0.61494835396203 0.06049980599486 0.44565984895981 15.999 2 O 0.38505164603797 0.06049980599486 0.05434015104019 15.999 3 O 0.88505164603797 0.43950019400514 0.94565984895981 15.999 4 O 0.11494835396203 0.43950019400514 0.55434015104019 15.999 5 O 0.38505164603797 0.93950019400513 0.55434015104019 15.999 6 O 0.61494835396203 0.93950019400513 0.94565984895981 15.999 7 O 0.11494835396203 0.56049980599487 0.05434015104019 15.999 8 O 0.88505164603797 0.56049980599487 0.44565984895981 15.999 9 O 0.83708637864422 0.06162226282888 0.35089142461078 15.999 10 O 0.16291362135578 0.06162226282888 0.14910857538922 15.999 11 O 0.66291362135578 0.43837773717112 0.85089142461078 15.999 12 O 0.33708637864422 0.43837773717112 0.64910857538922 15.999 13 O 0.16291362135578 0.93837773717112 0.64910857538922 15.999 14 O 0.83708637864422 0.93837773717112 0.85089142461078 15.999 15 O 0.80306263407367 0.37372540843625 0.15876875625841 15.999 16 O 0.33708637864422 0.56162226282888 0.14910857538922 15.999 17 O 0.57559997916082 0.38511354873979 0.08892746471247 15.999 18 O 0.42440002083918 0.38511354873979 0.41107253528753 15.999 19 O 0.92440002083918 0.11488645126021 0.58892746471247 15.999 20 O 0.07559997916082 0.11488645126021 0.91107253528753 15.999 21 O 0.42440002083918 0.61488645126021 0.91107253528753 15.999 22 O 0.57559997916082 0.61488645126021 0.58892746471247 15.999 23 O 0.07559997916082 0.88511354873979 0.41107253528753 15.999 24 O 0.92440002083918 0.88511354873979 0.08892746471247 15.999 25 O 0.50000000000000 0.97611577280459 0.25000000000000 15.999 26 O 0.00000000000000 0.52388422719541 0.75000000000000 15.999 27 O 0.50000000000000 0.02388422719541 0.75000000000000 15.999 28 O 0.00000000000000 0.47611577280459 0.25000000000000 15.999 29 O 0.69693736592633 0.87372540843625 0.15876875625841 15.999 30 O 0.30306263407367 0.87372540843625 0.34123124374159 15.999 31 O 0.80306263407367 0.62627459156375 0.65876875625841 15.999 32 O 0.19693736592633 0.62627459156375 0.84123124374159 15.999 33 O 0.30306263407367 0.12627459156375 0.84123124374159 15.999 34 O 0.69693736592633 0.12627459156375 0.65876875625841 15.999 35 O 0.19693736592633 0.37372540843625 0.34123124374159 15.999 36 O 0.66291362135578 0.56162226282888 0.35089142461078 15.999 37 Sm 0.98810875364643 0.25825509863643 0.08979911793737 150.360 38 Sm 0.01189124635357 0.25825509863643 0.41020088206263 150.360 39 Sm 0.51189124635357 0.24174490136357 0.58979911793737 150.360 40 Sm 0.48810875364643 0.24174490136357 0.91020088206263 150.360 41 Sm 0.01189124635357 0.74174490136357 0.91020088206263 150.360 42 Sm 0.98810875364643 0.74174490136357 0.58979911793737 150.360 43 Sm 0.48810875364643 0.75825509863643 0.41020088206263 150.360 44 Sm 0.51189124635357 0.75825509863643 0.08979911793737 150.360 45 Sm 0.65903844795150 0.19762712325934 0.26430617747098 150.360 46 Sm 0.34096155204850 0.19762712325934 0.23569382252902 150.360 47 Sm 0.84096155204850 0.30237287674066 0.76430617747097 150.360 48 Sm 0.15903844795150 0.30237287674066 0.73569382252903 150.360 49 Sm 0.34096155204850 0.80237287674066 0.73569382252903 150.360 50 Sm 0.65903844795150 0.80237287674066 0.76430617747097 150.360 51 Sm 0.15903844795150 0.69762712325934 0.23569382252902 150.360 52 Sm 0.84096155204850 0.69762712325934 0.26430617747098 150.360 53 Au 0.72793407381789 0.41870554471036 0.01061031276439 196.967 54 Au 0.27206592618211 0.41870554471036 0.48938968723561 196.967 55 Au 0.77206592618211 0.08129445528964 0.51061031276439 196.967 56 Au 0.22793407381789 0.08129445528964 0.98938968723561 196.967 57 Au 0.27206592618211 0.58129445528964 0.98938968723561 196.967 58 Au 0.72793407381789 0.58129445528964 0.51061031276439 196.967 59 Au 0.22793407381789 0.91870554471036 0.48938968723561 196.967 60 Au 0.77206592618211 0.91870554471036 0.01061031276439 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.758078460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.998697959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790188850000000 Atomic positions (fractional): 1 O 0.61494835396203 0.03024990299743 0.44565984895981 15.999 > 1 2 O 0.61494835396203 0.53024990299743 0.44565984895981 15.999 > 1 3 O 0.38505164603797 0.03024990299743 0.05434015104019 15.999 > 3 4 O 0.38505164603797 0.53024990299743 0.05434015104019 15.999 > 3 5 O 0.88505164603797 0.21975009700257 0.94565984895981 15.999 > 5 6 O 0.88505164603797 0.71975009700257 0.94565984895981 15.999 > 5 7 O 0.11494835396203 0.21975009700257 0.55434015104019 15.999 > 7 8 O 0.11494835396203 0.71975009700257 0.55434015104019 15.999 > 7 9 O 0.38505164603797 0.46975009700257 0.55434015104019 15.999 > 9 10 O 0.38505164603797 0.96975009700257 0.55434015104019 15.999 > 9 11 O 0.61494835396203 0.46975009700257 0.94565984895981 15.999 > 11 12 O 0.61494835396203 0.96975009700257 0.94565984895981 15.999 > 11 13 O 0.11494835396203 0.28024990299743 0.05434015104019 15.999 > 13 14 O 0.11494835396203 0.78024990299743 0.05434015104019 15.999 > 13 15 O 0.88505164603797 0.28024990299743 0.44565984895981 15.999 > 15 16 O 0.88505164603797 0.78024990299743 0.44565984895981 15.999 > 15 17 O 0.83708637864422 0.03081113141444 0.35089142461078 15.999 > 17 18 O 0.83708637864422 0.53081113141444 0.35089142461078 15.999 > 17 19 O 0.16291362135578 0.03081113141444 0.14910857538922 15.999 > 19 20 O 0.16291362135578 0.53081113141444 0.14910857538922 15.999 > 19 21 O 0.66291362135578 0.21918886858556 0.85089142461078 15.999 > 21 22 O 0.66291362135578 0.71918886858556 0.85089142461078 15.999 > 21 23 O 0.33708637864422 0.21918886858556 0.64910857538922 15.999 > 23 24 O 0.33708637864422 0.71918886858556 0.64910857538922 15.999 > 23 25 O 0.16291362135578 0.46918886858556 0.64910857538922 15.999 > 25 26 O 0.16291362135578 0.96918886858556 0.64910857538922 15.999 > 25 27 O 0.83708637864422 0.46918886858556 0.85089142461078 15.999 > 27 28 O 0.83708637864422 0.96918886858556 0.85089142461078 15.999 > 27 29 O 0.80306263407367 0.18686270421812 0.15876875625841 15.999 > 29 30 O 0.80306263407367 0.68686270421812 0.15876875625841 15.999 > 29 31 O 0.33708637864422 0.28081113141444 0.14910857538922 15.999 > 31 32 O 0.33708637864422 0.78081113141444 0.14910857538922 15.999 > 31 33 O 0.57559997916082 0.19255677436990 0.08892746471247 15.999 > 33 34 O 0.57559997916082 0.69255677436990 0.08892746471247 15.999 > 33 35 O 0.42440002083918 0.19255677436990 0.41107253528753 15.999 > 35 36 O 0.42440002083918 0.69255677436990 0.41107253528753 15.999 > 35 37 O 0.92440002083918 0.05744322563010 0.58892746471247 15.999 > 37 38 O 0.92440002083918 0.55744322563010 0.58892746471247 15.999 > 37 39 O 0.07559997916082 0.05744322563010 0.91107253528753 15.999 > 39 40 O 0.07559997916082 0.55744322563010 0.91107253528753 15.999 > 39 41 O 0.42440002083918 0.30744322563010 0.91107253528753 15.999 > 41 42 O 0.42440002083918 0.80744322563010 0.91107253528753 15.999 > 41 43 O 0.57559997916082 0.30744322563010 0.58892746471247 15.999 > 43 44 O 0.57559997916082 0.80744322563010 0.58892746471247 15.999 > 43 45 O 0.07559997916082 0.44255677436990 0.41107253528753 15.999 > 45 46 O 0.07559997916082 0.94255677436990 0.41107253528753 15.999 > 45 47 O 0.92440002083918 0.44255677436990 0.08892746471247 15.999 > 47 48 O 0.92440002083918 0.94255677436990 0.08892746471247 15.999 > 47 49 O 0.50000000000000 0.48805788640229 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.98805788640229 0.25000000000000 15.999 > 49 51 O 0.00000000000000 0.26194211359771 0.75000000000000 15.999 > 51 52 O 0.00000000000000 0.76194211359771 0.75000000000000 15.999 > 51 53 O 0.50000000000000 0.01194211359771 0.75000000000000 15.999 > 53 54 O 0.50000000000000 0.51194211359771 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.23805788640229 0.25000000000000 15.999 > 55 56 O 0.00000000000000 0.73805788640229 0.25000000000000 15.999 > 55 57 O 0.69693736592633 0.43686270421812 0.15876875625841 15.999 > 57 58 O 0.69693736592633 0.93686270421812 0.15876875625841 15.999 > 57 59 O 0.30306263407367 0.43686270421812 0.34123124374159 15.999 > 59 60 O 0.30306263407367 0.93686270421812 0.34123124374159 15.999 > 59 61 O 0.80306263407367 0.31313729578188 0.65876875625841 15.999 > 61 62 O 0.80306263407367 0.81313729578188 0.65876875625841 15.999 > 61 63 O 0.19693736592633 0.31313729578188 0.84123124374159 15.999 > 63 64 O 0.19693736592633 0.81313729578188 0.84123124374159 15.999 > 63 65 O 0.30306263407367 0.06313729578188 0.84123124374159 15.999 > 65 66 O 0.30306263407367 0.56313729578188 0.84123124374159 15.999 > 65 67 O 0.69693736592633 0.06313729578188 0.65876875625841 15.999 > 67 68 O 0.69693736592633 0.56313729578188 0.65876875625841 15.999 > 67 69 O 0.19693736592633 0.18686270421812 0.34123124374159 15.999 > 69 70 O 0.19693736592633 0.68686270421812 0.34123124374159 15.999 > 69 71 O 0.66291362135578 0.28081113141444 0.35089142461078 15.999 > 71 72 O 0.66291362135578 0.78081113141444 0.35089142461078 15.999 > 71 73 Sm 0.98810875364643 0.12912754931821 0.08979911793737 150.360 > 73 74 Sm 0.98810875364643 0.62912754931821 0.08979911793737 150.360 > 73 75 Sm 0.01189124635357 0.12912754931821 0.41020088206263 150.360 > 75 76 Sm 0.01189124635357 0.62912754931821 0.41020088206263 150.360 > 75 77 Sm 0.51189124635357 0.12087245068179 0.58979911793737 150.360 > 77 78 Sm 0.51189124635357 0.62087245068179 0.58979911793737 150.360 > 77 79 Sm 0.48810875364643 0.12087245068179 0.91020088206263 150.360 > 79 80 Sm 0.48810875364643 0.62087245068179 0.91020088206263 150.360 > 79 81 Sm 0.01189124635357 0.37087245068179 0.91020088206263 150.360 > 81 82 Sm 0.01189124635357 0.87087245068179 0.91020088206263 150.360 > 81 83 Sm 0.98810875364643 0.37087245068179 0.58979911793737 150.360 > 83 84 Sm 0.98810875364643 0.87087245068179 0.58979911793737 150.360 > 83 85 Sm 0.48810875364643 0.37912754931821 0.41020088206263 150.360 > 85 86 Sm 0.48810875364643 0.87912754931821 0.41020088206263 150.360 > 85 87 Sm 0.51189124635357 0.37912754931821 0.08979911793737 150.360 > 87 88 Sm 0.51189124635357 0.87912754931821 0.08979911793737 150.360 > 87 89 Sm 0.65903844795150 0.09881356162967 0.26430617747098 150.360 > 89 90 Sm 0.65903844795150 0.59881356162967 0.26430617747098 150.360 > 89 91 Sm 0.34096155204850 0.09881356162967 0.23569382252902 150.360 > 91 92 Sm 0.34096155204850 0.59881356162967 0.23569382252902 150.360 > 91 93 Sm 0.84096155204850 0.15118643837033 0.76430617747097 150.360 > 93 94 Sm 0.84096155204850 0.65118643837033 0.76430617747097 150.360 > 93 95 Sm 0.15903844795150 0.15118643837033 0.73569382252903 150.360 > 95 96 Sm 0.15903844795150 0.65118643837033 0.73569382252903 150.360 > 95 97 Sm 0.34096155204850 0.40118643837033 0.73569382252903 150.360 > 97 98 Sm 0.34096155204850 0.90118643837033 0.73569382252903 150.360 > 97 99 Sm 0.65903844795150 0.40118643837033 0.76430617747097 150.360 > 99 100 Sm 0.65903844795150 0.90118643837033 0.76430617747097 150.360 > 99 101 Sm 0.15903844795150 0.34881356162967 0.23569382252902 150.360 > 101 102 Sm 0.15903844795150 0.84881356162967 0.23569382252902 150.360 > 101 103 Sm 0.84096155204850 0.34881356162967 0.26430617747098 150.360 > 103 104 Sm 0.84096155204850 0.84881356162967 0.26430617747098 150.360 > 103 105 Au 0.72793407381789 0.20935277235518 0.01061031276439 196.967 > 105 106 Au 0.72793407381789 0.70935277235518 0.01061031276439 196.967 > 105 107 Au 0.27206592618211 0.20935277235518 0.48938968723561 196.967 > 107 108 Au 0.27206592618211 0.70935277235518 0.48938968723561 196.967 > 107 109 Au 0.77206592618211 0.04064722764482 0.51061031276439 196.967 > 109 110 Au 0.77206592618211 0.54064722764482 0.51061031276439 196.967 > 109 111 Au 0.22793407381789 0.04064722764482 0.98938968723561 196.967 > 111 112 Au 0.22793407381789 0.54064722764482 0.98938968723561 196.967 > 111 113 Au 0.27206592618211 0.29064722764482 0.98938968723561 196.967 > 113 114 Au 0.27206592618211 0.79064722764482 0.98938968723561 196.967 > 113 115 Au 0.72793407381789 0.29064722764482 0.51061031276439 196.967 > 115 116 Au 0.72793407381789 0.79064722764482 0.51061031276439 196.967 > 115 117 Au 0.22793407381789 0.45935277235518 0.48938968723561 196.967 > 117 118 Au 0.22793407381789 0.95935277235518 0.48938968723561 196.967 > 117 119 Au 0.77206592618211 0.45935277235518 0.01061031276439 196.967 > 119 120 Au 0.77206592618211 0.95935277235518 0.01061031276439 196.967 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7402686 0.0000000 0.0000000 0.0000000 4.7765407 0.0000000 0.0000000 0.0000000 5.6564422 -------------------------- Born effective charges -------------------------- 1 O -2.7679773 -0.3512162 -0.0242490 -0.2344224 -1.7015643 -0.0340954 -0.2536025 -0.1332547 -1.8338325 2 O -2.7679773 0.3512162 -0.0242490 0.2344224 -1.7015643 0.0340954 -0.2536025 0.1332547 -1.8338325 3 O -2.7679773 -0.3512162 0.0242490 -0.2344224 -1.7015643 0.0340954 0.2536025 0.1332547 -1.8338325 4 O -2.7679773 0.3512162 0.0242490 0.2344224 -1.7015643 -0.0340954 0.2536025 -0.1332547 -1.8338325 5 O -2.7679773 -0.3512162 -0.0242490 -0.2344224 -1.7015643 -0.0340954 -0.2536025 -0.1332547 -1.8338325 6 O -2.7679773 0.3512162 -0.0242490 0.2344224 -1.7015643 0.0340954 -0.2536025 0.1332547 -1.8338325 7 O -2.7679773 -0.3512162 0.0242490 -0.2344224 -1.7015643 0.0340954 0.2536025 0.1332547 -1.8338325 8 O -2.7679773 0.3512162 0.0242490 0.2344224 -1.7015643 -0.0340954 0.2536025 -0.1332547 -1.8338325 9 O -1.9964544 0.0643186 0.2161813 -0.1063695 -1.7973421 -0.2457514 0.0377997 -0.4802465 -2.6999344 10 O -1.9964544 -0.0643186 0.2161813 0.1063695 -1.7973421 0.2457514 0.0377997 0.4802465 -2.6999344 11 O -1.9964544 0.0643186 -0.2161813 -0.1063695 -1.7973421 0.2457514 -0.0377997 0.4802465 -2.6999344 12 O -1.9964544 -0.0643186 -0.2161813 0.1063695 -1.7973421 -0.2457514 -0.0377997 -0.4802465 -2.6999344 13 O -1.9964544 0.0643186 0.2161813 -0.1063695 -1.7973421 -0.2457514 0.0377997 -0.4802465 -2.6999344 14 O -1.9964544 -0.0643186 0.2161813 0.1063695 -1.7973421 0.2457514 0.0377997 0.4802465 -2.6999344 15 O -1.6529419 -0.1046955 -0.1043186 -0.0961869 -1.7370897 -0.0737771 -0.0199269 -0.2451023 -2.6461158 16 O -1.9964544 0.0643186 -0.2161813 -0.1063695 -1.7973421 0.2457514 -0.0377997 0.4802465 -2.6999344 17 O -2.4177386 0.3109951 0.2369144 0.0530112 -1.9013354 0.0270806 0.1617521 0.0091787 -1.8145423 18 O -2.4177386 -0.3109951 0.2369144 -0.0530112 -1.9013354 -0.0270806 0.1617521 -0.0091787 -1.8145423 19 O -2.4177386 0.3109951 -0.2369144 0.0530112 -1.9013354 -0.0270806 -0.1617521 -0.0091787 -1.8145423 20 O -2.4177386 -0.3109951 -0.2369144 -0.0530112 -1.9013354 0.0270806 -0.1617521 0.0091787 -1.8145423 21 O -2.4177386 0.3109951 0.2369144 0.0530112 -1.9013354 0.0270806 0.1617521 0.0091787 -1.8145423 22 O -2.4177386 -0.3109951 0.2369144 -0.0530112 -1.9013354 -0.0270806 0.1617521 -0.0091787 -1.8145423 23 O -2.4177386 0.3109951 -0.2369144 0.0530112 -1.9013354 -0.0270806 -0.1617521 -0.0091787 -1.8145423 24 O -2.4177386 -0.3109951 -0.2369144 -0.0530112 -1.9013354 0.0270806 -0.1617521 0.0091787 -1.8145423 25 O -2.9325641 0.0000000 -0.1284285 0.0000000 -2.4169134 0.0000000 0.2017191 0.0000000 -2.9096327 26 O -2.9325641 0.0000000 0.1284285 0.0000000 -2.4169134 0.0000000 -0.2017191 0.0000000 -2.9096327 27 O -2.9325641 0.0000000 -0.1284285 0.0000000 -2.4169134 0.0000000 0.2017191 0.0000000 -2.9096327 28 O -2.9325641 0.0000000 0.1284285 0.0000000 -2.4169134 0.0000000 -0.2017191 0.0000000 -2.9096327 29 O -1.6529419 0.1046955 0.1043186 0.0961869 -1.7370897 -0.0737771 0.0199269 -0.2451023 -2.6461158 30 O -1.6529419 -0.1046955 0.1043186 -0.0961869 -1.7370897 0.0737771 0.0199269 0.2451023 -2.6461158 31 O -1.6529419 0.1046955 -0.1043186 0.0961869 -1.7370897 0.0737771 -0.0199269 0.2451023 -2.6461158 32 O -1.6529419 -0.1046955 -0.1043186 -0.0961869 -1.7370897 -0.0737771 -0.0199269 -0.2451023 -2.6461158 33 O -1.6529419 0.1046955 0.1043186 0.0961869 -1.7370897 -0.0737771 0.0199269 -0.2451023 -2.6461158 34 O -1.6529419 -0.1046955 0.1043186 -0.0961869 -1.7370897 0.0737771 0.0199269 0.2451023 -2.6461158 35 O -1.6529419 0.1046955 -0.1043186 0.0961869 -1.7370897 0.0737771 -0.0199269 0.2451023 -2.6461158 36 O -1.9964544 -0.0643186 -0.2161813 0.1063695 -1.7973421 -0.2457514 -0.0377997 -0.4802465 -2.6999344 37 Sm 4.9083630 0.2727494 0.0154633 -0.1647428 4.0842206 0.5921992 -0.0890935 0.5034890 3.2400899 38 Sm 4.9083630 -0.2727494 0.0154633 0.1647428 4.0842206 -0.5921992 -0.0890935 -0.5034890 3.2400899 39 Sm 4.9083630 0.2727494 -0.0154633 -0.1647428 4.0842206 -0.5921992 0.0890935 -0.5034890 3.2400899 40 Sm 4.9083630 -0.2727494 -0.0154633 0.1647428 4.0842206 0.5921992 0.0890935 0.5034890 3.2400899 41 Sm 4.9083630 0.2727494 0.0154633 -0.1647428 4.0842206 0.5921992 -0.0890935 0.5034890 3.2400899 42 Sm 4.9083630 -0.2727494 0.0154633 0.1647428 4.0842206 -0.5921992 -0.0890935 -0.5034890 3.2400899 43 Sm 4.9083630 0.2727494 -0.0154633 -0.1647428 4.0842206 -0.5921992 0.0890935 -0.5034890 3.2400899 44 Sm 4.9083630 -0.2727494 -0.0154633 0.1647428 4.0842206 0.5921992 0.0890935 0.5034890 3.2400899 45 Sm 3.3220867 0.3573693 -0.0879174 0.4418816 4.0273595 -0.2195069 -0.1338817 0.3091518 4.9667108 46 Sm 3.3220867 -0.3573693 -0.0879174 -0.4418816 4.0273595 0.2195069 -0.1338817 -0.3091518 4.9667108 47 Sm 3.3220867 0.3573693 0.0879174 0.4418816 4.0273595 0.2195069 0.1338817 -0.3091518 4.9667108 48 Sm 3.3220867 -0.3573693 0.0879174 -0.4418816 4.0273595 -0.2195069 0.1338817 0.3091518 4.9667108 49 Sm 3.3220867 0.3573693 -0.0879174 0.4418816 4.0273595 -0.2195069 -0.1338817 0.3091518 4.9667108 50 Sm 3.3220867 -0.3573693 -0.0879174 -0.4418816 4.0273595 0.2195069 -0.1338817 -0.3091518 4.9667108 51 Sm 3.3220867 0.3573693 0.0879174 0.4418816 4.0273595 0.2195069 0.1338817 -0.3091518 4.9667108 52 Sm 3.3220867 -0.3573693 0.0879174 -0.4418816 4.0273595 -0.2195069 0.1338817 0.3091518 4.9667108 53 Au 2.0709445 0.1121883 0.0028241 0.1555955 0.2342081 -0.2231691 -0.0156435 -0.2911109 2.2424406 54 Au 2.0709445 -0.1121883 0.0028241 -0.1555955 0.2342081 0.2231691 -0.0156435 0.2911109 2.2424406 55 Au 2.0709445 0.1121883 -0.0028241 0.1555955 0.2342081 0.2231691 0.0156435 0.2911109 2.2424406 56 Au 2.0709445 -0.1121883 -0.0028241 -0.1555955 0.2342081 -0.2231691 0.0156435 -0.2911109 2.2424406 57 Au 2.0709445 0.1121883 0.0028241 0.1555955 0.2342081 -0.2231691 -0.0156435 -0.2911109 2.2424406 58 Au 2.0709445 -0.1121883 0.0028241 -0.1555955 0.2342081 0.2231691 -0.0156435 0.2911109 2.2424406 59 Au 2.0709445 0.1121883 -0.0028241 0.1555955 0.2342081 0.2231691 0.0156435 0.2911109 2.2424406 60 Au 2.0709445 -0.1121883 -0.0028241 -0.1555955 0.2342081 -0.2231691 0.0156435 -0.2911109 2.2424406 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 9.933 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.096 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.393 ( 0.000 0.000 0.000) 0.000 10.497 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.099 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 0.000 0.000) 0.000 11.761 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.480 ( 0.000 0.000 0.000) 0.000 13.850 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.059 ( 0.000 0.000 0.000) 0.000 14.070 ( 0.000 0.000 0.000) 0.000 14.125 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.566 ( 0.000 0.000 0.000) 0.000 14.603 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 0.000 0.000) 0.000 15.129 ( 0.000 0.000 0.000) 0.000 15.135 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.553 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.608 ( 0.000 0.000 0.000) 0.000 15.624 ( 0.000 0.000 0.000) 0.000 15.641 ( 0.000 0.000 0.000) 0.000 15.811 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.101 ( 0.000 0.000 0.000) 0.000 16.151 ( 0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 0.000) 0.000 16.357 ( 0.000 0.000 0.000) 0.000 16.596 ( 0.000 0.000 0.000) 0.000 16.710 ( 0.000 0.000 0.000) 0.000 16.951 ( 0.000 0.000 0.000) 0.000 17.587 ( 0.000 0.000 0.000) 0.000 17.777 ( 0.000 0.000 0.000) 0.000 17.803 ( 0.000 0.000 0.000) 0.000 18.137 ( 0.000 0.000 0.000) 0.000 18.226 ( 0.000 0.000 0.000) 0.000 18.242 ( 0.000 0.000 0.000) 0.000 18.267 ( 0.000 0.000 0.000) 0.000 18.417 ( 0.000 0.000 0.000) 0.000 18.479 ( 0.000 0.000 0.000) 0.000 18.732 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 18.972 ( 0.000 0.000 0.000) 0.000 18.990 ( 0.000 0.000 0.000) 0.000 19.254 ( 0.000 0.000 0.000) 0.000 19.625 ( 0.000 0.000 0.000) 0.000 19.672 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 23.213 0.000 0.000) 23.213 0.512 ( 24.632 0.000 0.000) 24.632 1.097 ( 49.129 0.000 0.000) 49.129 1.469 ( -19.984 0.000 0.000) 19.984 1.596 ( -24.485 0.000 0.000) 24.485 1.873 ( 15.211 0.000 0.000) 15.211 2.109 ( 2.942 0.000 0.000) 2.942 2.133 ( 4.787 0.000 0.000) 4.787 2.161 ( 4.324 0.000 0.000) 4.324 2.295 ( 0.506 0.000 0.000) 0.506 2.409 ( -6.755 0.000 0.000) 6.755 2.423 ( -0.941 0.000 0.000) 0.941 2.496 ( -6.927 0.000 0.000) 6.927 2.574 ( 7.505 0.000 0.000) 7.505 2.583 ( -9.008 0.000 0.000) 9.008 2.592 ( 15.491 0.000 0.000) 15.491 2.714 ( 4.524 0.000 0.000) 4.524 2.772 ( -15.060 0.000 0.000) 15.060 2.788 ( -15.571 0.000 0.000) 15.571 2.958 ( -9.354 0.000 0.000) 9.354 2.965 ( 9.591 0.000 0.000) 9.591 2.996 ( -2.593 0.000 0.000) 2.593 3.103 ( 4.558 0.000 0.000) 4.558 3.192 ( 1.360 0.000 0.000) 1.360 3.199 ( -12.791 0.000 0.000) 12.791 3.239 ( 10.023 0.000 0.000) 10.023 3.268 ( 9.590 0.000 0.000) 9.590 3.289 ( -4.452 0.000 0.000) 4.452 3.314 ( 7.281 0.000 0.000) 7.281 3.375 ( 1.365 0.000 0.000) 1.365 3.388 ( -1.370 0.000 0.000) 1.370 3.392 ( 7.118 0.000 0.000) 7.118 3.460 ( 1.319 0.000 0.000) 1.319 3.515 ( -5.292 0.000 0.000) 5.292 3.540 ( 3.508 0.000 0.000) 3.508 3.585 ( -3.379 0.000 0.000) 3.379 3.704 ( -1.670 0.000 0.000) 1.670 3.728 ( -4.322 0.000 0.000) 4.322 3.768 ( -2.235 0.000 0.000) 2.235 3.780 ( -4.989 0.000 0.000) 4.989 3.877 ( 0.689 0.000 0.000) 0.689 3.887 ( 0.329 0.000 0.000) 0.329 3.924 ( 3.590 0.000 0.000) 3.590 3.931 ( -7.633 0.000 0.000) 7.633 3.971 ( -2.454 0.000 0.000) 2.454 3.973 ( 4.548 0.000 0.000) 4.548 4.108 ( 5.808 0.000 0.000) 5.808 4.128 ( -6.756 0.000 0.000) 6.756 4.181 ( -0.510 0.000 0.000) 0.510 4.219 ( 0.028 0.000 0.000) 0.028 4.234 ( 5.340 0.000 0.000) 5.340 4.251 ( -4.031 0.000 0.000) 4.031 4.323 ( 3.900 0.000 0.000) 3.900 4.343 ( -4.009 0.000 0.000) 4.009 4.347 ( -1.939 0.000 0.000) 1.939 4.520 ( 6.551 0.000 0.000) 6.551 4.717 ( -9.212 0.000 0.000) 9.212 4.830 ( -8.111 0.000 0.000) 8.111 4.913 ( 8.160 0.000 0.000) 8.160 4.923 ( -0.537 0.000 0.000) 0.537 4.945 ( -2.557 0.000 0.000) 2.557 4.988 ( -2.313 0.000 0.000) 2.313 4.992 ( 4.256 0.000 0.000) 4.256 5.256 ( -2.866 0.000 0.000) 2.866 5.256 ( 8.808 0.000 0.000) 8.808 5.309 ( 5.606 0.000 0.000) 5.606 5.469 ( -1.542 0.000 0.000) 1.542 5.640 ( -3.252 0.000 0.000) 3.252 5.664 ( 3.521 0.000 0.000) 3.521 5.782 ( -1.389 0.000 0.000) 1.389 5.811 ( 6.106 0.000 0.000) 6.106 6.162 ( -5.819 0.000 0.000) 5.819 7.481 ( 5.083 0.000 0.000) 5.083 7.591 ( 0.459 0.000 0.000) 0.459 7.628 ( -1.633 0.000 0.000) 1.633 7.804 ( -7.621 0.000 0.000) 7.621 7.813 ( 7.725 0.000 0.000) 7.725 8.208 ( -8.272 0.000 0.000) 8.272 8.298 ( 2.422 0.000 0.000) 2.422 8.341 ( 0.036 0.000 0.000) 0.036 8.430 ( -0.027 0.000 0.000) 0.027 8.570 ( -6.598 0.000 0.000) 6.598 8.587 ( 3.805 0.000 0.000) 3.805 8.707 ( -0.868 0.000 0.000) 0.868 8.814 ( 1.451 0.000 0.000) 1.451 8.835 ( 2.620 0.000 0.000) 2.620 8.906 ( 2.679 0.000 0.000) 2.679 9.006 ( 0.202 0.000 0.000) 0.202 9.059 ( -3.440 0.000 0.000) 3.440 9.140 ( -3.995 0.000 0.000) 3.995 9.182 ( 6.129 0.000 0.000) 6.129 9.245 ( 3.641 0.000 0.000) 3.641 9.384 ( -3.265 0.000 0.000) 3.265 9.390 ( -1.416 0.000 0.000) 1.416 9.495 ( 1.708 0.000 0.000) 1.708 9.586 ( 0.914 0.000 0.000) 0.914 9.592 ( 4.362 0.000 0.000) 4.362 9.705 ( -2.155 0.000 0.000) 2.155 9.723 ( -2.647 0.000 0.000) 2.647 9.794 ( -3.846 0.000 0.000) 3.846 9.886 ( -2.994 0.000 0.000) 2.994 9.953 ( -2.126 0.000 0.000) 2.126 10.111 ( 1.940 0.000 0.000) 1.940 10.160 ( -0.901 0.000 0.000) 0.901 10.170 ( 2.435 0.000 0.000) 2.435 10.235 ( 1.816 0.000 0.000) 1.816 10.265 ( 2.626 0.000 0.000) 2.626 10.279 ( -0.676 0.000 0.000) 0.676 10.319 ( -2.041 0.000 0.000) 2.041 10.394 ( -9.585 0.000 0.000) 9.585 10.492 ( 10.613 0.000 0.000) 10.613 10.602 ( 3.696 0.000 0.000) 3.696 10.695 ( -0.979 0.000 0.000) 0.979 10.754 ( -3.541 0.000 0.000) 3.541 10.856 ( -7.540 0.000 0.000) 7.540 10.906 ( -0.752 0.000 0.000) 0.752 11.193 ( 5.065 0.000 0.000) 5.065 11.212 ( 7.119 0.000 0.000) 7.119 11.415 ( -9.180 0.000 0.000) 9.180 11.524 ( -5.189 0.000 0.000) 5.189 11.538 ( -6.148 0.000 0.000) 6.148 11.658 ( -7.432 0.000 0.000) 7.432 11.798 ( 4.398 0.000 0.000) 4.398 11.863 ( 8.607 0.000 0.000) 8.607 12.058 ( 12.099 0.000 0.000) 12.099 12.062 ( -5.251 0.000 0.000) 5.251 12.158 ( -3.724 0.000 0.000) 3.724 12.213 ( 1.858 0.000 0.000) 1.858 12.220 ( 3.838 0.000 0.000) 3.838 12.310 ( 3.623 0.000 0.000) 3.623 12.597 ( 8.394 0.000 0.000) 8.394 12.720 ( -1.302 0.000 0.000) 1.302 12.737 ( -1.599 0.000 0.000) 1.599 13.152 ( -9.724 0.000 0.000) 9.724 13.173 ( 10.656 0.000 0.000) 10.656 13.287 ( 9.778 0.000 0.000) 9.778 13.481 ( -0.212 0.000 0.000) 0.212 13.735 ( -9.484 0.000 0.000) 9.484 13.973 ( 0.020 0.000 0.000) 0.020 14.059 ( 1.080 0.000 0.000) 1.080 14.247 ( -7.463 0.000 0.000) 7.463 14.345 ( 11.372 0.000 0.000) 11.372 14.369 ( -2.823 0.000 0.000) 2.823 14.610 ( -0.493 0.000 0.000) 0.493 15.000 ( -0.078 0.000 0.000) 0.078 15.008 ( -7.534 0.000 0.000) 7.534 15.023 ( -0.906 0.000 0.000) 0.906 15.081 ( -4.672 0.000 0.000) 4.672 15.498 ( -0.148 0.000 0.000) 0.148 15.537 ( -1.339 0.000 0.000) 1.339 15.566 ( -1.291 0.000 0.000) 1.291 15.602 ( -1.701 0.000 0.000) 1.701 15.671 ( 2.640 0.000 0.000) 2.640 15.859 ( -6.296 0.000 0.000) 6.296 15.945 ( 8.991 0.000 0.000) 8.991 16.076 ( 0.938 0.000 0.000) 0.938 16.079 ( 0.716 0.000 0.000) 0.716 16.225 ( 7.694 0.000 0.000) 7.694 16.256 ( -4.403 0.000 0.000) 4.403 16.429 ( 5.460 0.000 0.000) 5.460 16.518 ( -5.491 0.000 0.000) 5.491 16.787 ( 5.261 0.000 0.000) 5.261 16.793 ( -10.829 0.000 0.000) 10.829 16.992 ( -3.147 0.000 0.000) 3.147 17.782 ( 13.764 0.000 0.000) 13.764 17.830 ( 4.613 0.000 0.000) 4.613 18.073 ( -4.923 0.000 0.000) 4.923 18.220 ( -4.706 0.000 0.000) 4.706 18.260 ( 2.329 0.000 0.000) 2.329 18.281 ( 3.200 0.000 0.000) 3.200 18.392 ( -3.569 0.000 0.000) 3.569 18.438 ( -3.405 0.000 0.000) 3.405 18.490 ( 6.947 0.000 0.000) 6.947 18.785 ( 4.144 0.000 0.000) 4.144 18.905 ( -7.695 0.000 0.000) 7.695 18.946 ( -2.325 0.000 0.000) 2.325 19.199 ( 0.783 0.000 0.000) 0.783 19.244 ( -0.886 0.000 0.000) 0.886 19.627 ( 0.224 0.000 0.000) 0.224 19.660 ( -0.990 0.000 0.000) 0.990 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -22.891 0.000 0.000) 22.891 0.985 ( 22.891 0.000 0.000) 22.891 1.050 ( -25.854 0.000 0.000) 25.854 1.050 ( 25.854 0.000 0.000) 25.854 2.085 ( -35.224 0.000 0.000) 35.224 2.085 ( 35.224 0.000 0.000) 35.224 2.215 ( -9.235 0.000 0.000) 9.235 2.215 ( 9.235 0.000 0.000) 9.235 2.219 ( -0.265 0.000 0.000) 0.265 2.219 ( 0.265 0.000 0.000) 0.265 2.270 ( -8.449 0.000 0.000) 8.449 2.270 ( 8.449 0.000 0.000) 8.449 2.356 ( -0.767 0.000 0.000) 0.767 2.356 ( 0.767 0.000 0.000) 0.767 2.515 ( -5.138 0.000 0.000) 5.138 2.515 ( 5.138 0.000 0.000) 5.138 2.779 ( -8.171 0.000 0.000) 8.171 2.779 ( 8.171 0.000 0.000) 8.171 2.864 ( -9.578 0.000 0.000) 9.578 2.864 ( 9.578 0.000 0.000) 9.578 2.893 ( -12.919 0.000 0.000) 12.919 2.893 ( 12.919 0.000 0.000) 12.919 3.178 ( -2.351 0.000 0.000) 2.351 3.178 ( 2.351 0.000 0.000) 2.351 3.180 ( -9.183 0.000 0.000) 9.183 3.180 ( 9.183 0.000 0.000) 9.183 3.394 ( -2.705 0.000 0.000) 2.705 3.394 ( 2.705 0.000 0.000) 2.705 3.399 ( -0.650 0.000 0.000) 0.650 3.399 ( 0.650 0.000 0.000) 0.650 3.480 ( -4.279 0.000 0.000) 4.279 3.480 ( 4.279 0.000 0.000) 4.279 3.484 ( -2.373 0.000 0.000) 2.373 3.484 ( 2.373 0.000 0.000) 2.373 3.574 ( -9.281 0.000 0.000) 9.281 3.574 ( 9.281 0.000 0.000) 9.281 3.648 ( -4.400 0.000 0.000) 4.400 3.648 ( 4.400 0.000 0.000) 4.400 3.667 ( -0.134 0.000 0.000) 0.134 3.667 ( 0.134 0.000 0.000) 0.134 3.870 ( -0.453 0.000 0.000) 0.453 3.870 ( 0.453 0.000 0.000) 0.453 3.899 ( -1.701 0.000 0.000) 1.701 3.899 ( 1.701 0.000 0.000) 1.701 3.986 ( -5.031 0.000 0.000) 5.031 3.986 ( 5.031 0.000 0.000) 5.031 4.128 ( -7.311 0.000 0.000) 7.311 4.128 ( 7.311 0.000 0.000) 7.311 4.212 ( -0.603 0.000 0.000) 0.603 4.212 ( 0.603 0.000 0.000) 0.603 4.235 ( -5.551 0.000 0.000) 5.551 4.235 ( 5.551 0.000 0.000) 5.551 4.349 ( -1.384 0.000 0.000) 1.384 4.349 ( 1.384 0.000 0.000) 1.384 4.456 ( -13.270 0.000 0.000) 13.270 4.456 ( 13.270 0.000 0.000) 13.270 4.652 ( -7.131 0.000 0.000) 7.131 4.652 ( 7.131 0.000 0.000) 7.131 4.942 ( -1.625 0.000 0.000) 1.625 4.942 ( 1.625 0.000 0.000) 1.625 4.967 ( -2.483 0.000 0.000) 2.483 4.967 ( 2.483 0.000 0.000) 2.483 5.123 ( -8.141 0.000 0.000) 8.141 5.123 ( 8.141 0.000 0.000) 8.141 5.405 ( -4.846 0.000 0.000) 4.846 5.405 ( 4.846 0.000 0.000) 4.846 5.495 ( -9.462 0.000 0.000) 9.462 5.495 ( 9.462 0.000 0.000) 9.462 5.736 ( -2.913 0.000 0.000) 2.913 5.736 ( 2.913 0.000 0.000) 2.913 5.995 ( -9.360 0.000 0.000) 9.360 5.995 ( 9.360 0.000 0.000) 9.360 7.604 ( -0.777 0.000 0.000) 0.777 7.604 ( 0.777 0.000 0.000) 0.777 7.627 ( -8.214 0.000 0.000) 8.214 7.627 ( 8.214 0.000 0.000) 8.214 8.006 ( -9.927 0.000 0.000) 9.927 8.006 ( 9.927 0.000 0.000) 9.927 8.335 ( -0.856 0.000 0.000) 0.856 8.335 ( 0.856 0.000 0.000) 0.856 8.460 ( -3.301 0.000 0.000) 3.301 8.460 ( 3.301 0.000 0.000) 3.301 8.665 ( -3.144 0.000 0.000) 3.144 8.665 ( 3.144 0.000 0.000) 3.144 8.846 ( -1.079 0.000 0.000) 1.079 8.846 ( 1.079 0.000 0.000) 1.079 8.979 ( -3.854 0.000 0.000) 3.854 8.979 ( 3.854 0.000 0.000) 3.854 9.043 ( -3.905 0.000 0.000) 3.905 9.043 ( 3.905 0.000 0.000) 3.905 9.316 ( -4.383 0.000 0.000) 4.383 9.316 ( 4.383 0.000 0.000) 4.383 9.334 ( -3.921 0.000 0.000) 3.921 9.334 ( 3.921 0.000 0.000) 3.921 9.560 ( -3.599 0.000 0.000) 3.599 9.560 ( 3.599 0.000 0.000) 3.599 9.664 ( -1.873 0.000 0.000) 1.873 9.664 ( 1.873 0.000 0.000) 1.873 9.703 ( -2.199 0.000 0.000) 2.199 9.703 ( 2.199 0.000 0.000) 2.199 9.884 ( -3.239 0.000 0.000) 3.239 9.884 ( 3.239 0.000 0.000) 3.239 10.141 ( -1.028 0.000 0.000) 1.028 10.141 ( 1.028 0.000 0.000) 1.028 10.239 ( -3.125 0.000 0.000) 3.125 10.239 ( 3.125 0.000 0.000) 3.125 10.275 ( -1.433 0.000 0.000) 1.433 10.275 ( 1.433 0.000 0.000) 1.433 10.290 ( -0.489 0.000 0.000) 0.489 10.290 ( 0.489 0.000 0.000) 0.489 10.667 ( -2.060 0.000 0.000) 2.060 10.667 ( 2.060 0.000 0.000) 2.060 10.733 ( -2.820 0.000 0.000) 2.820 10.733 ( 2.820 0.000 0.000) 2.820 10.749 ( -11.720 0.000 0.000) 11.720 10.749 ( 11.720 0.000 0.000) 11.720 11.288 ( -4.261 0.000 0.000) 4.261 11.288 ( 4.261 0.000 0.000) 4.261 11.396 ( -7.832 0.000 0.000) 7.832 11.396 ( 7.832 0.000 0.000) 7.832 11.509 ( -4.421 0.000 0.000) 4.421 11.509 ( 4.421 0.000 0.000) 4.421 11.925 ( -6.967 0.000 0.000) 6.967 11.925 ( 6.967 0.000 0.000) 6.967 12.039 ( -7.366 0.000 0.000) 7.366 12.039 ( 7.366 0.000 0.000) 7.366 12.214 ( -2.852 0.000 0.000) 2.852 12.214 ( 2.852 0.000 0.000) 2.852 12.300 ( -3.067 0.000 0.000) 3.067 12.300 ( 3.067 0.000 0.000) 3.067 12.705 ( -0.515 0.000 0.000) 0.515 12.705 ( 0.515 0.000 0.000) 0.515 12.872 ( -15.002 0.000 0.000) 15.002 12.872 ( 15.002 0.000 0.000) 15.002 13.418 ( -8.205 0.000 0.000) 8.205 13.418 ( 8.205 0.000 0.000) 8.205 13.507 ( -10.506 0.000 0.000) 10.506 13.507 ( 10.506 0.000 0.000) 10.506 14.072 ( -7.811 0.000 0.000) 7.811 14.072 ( 7.811 0.000 0.000) 7.811 14.182 ( -10.970 0.000 0.000) 10.970 14.182 ( 10.970 0.000 0.000) 10.970 14.542 ( -6.373 0.000 0.000) 6.373 14.542 ( 6.373 0.000 0.000) 6.373 14.973 ( -3.868 0.000 0.000) 3.868 14.973 ( 3.868 0.000 0.000) 3.868 15.004 ( -0.606 0.000 0.000) 0.606 15.004 ( 0.606 0.000 0.000) 0.606 15.507 ( -1.110 0.000 0.000) 1.110 15.507 ( 1.110 0.000 0.000) 1.110 15.569 ( -1.154 0.000 0.000) 1.154 15.569 ( 1.154 0.000 0.000) 1.154 15.746 ( -4.355 0.000 0.000) 4.355 15.746 ( 4.355 0.000 0.000) 4.355 16.085 ( -0.551 0.000 0.000) 0.551 16.085 ( 0.551 0.000 0.000) 0.551 16.131 ( -7.082 0.000 0.000) 7.082 16.131 ( 7.082 0.000 0.000) 7.082 16.384 ( -7.024 0.000 0.000) 7.024 16.384 ( 7.024 0.000 0.000) 7.024 16.580 ( -8.709 0.000 0.000) 8.709 16.580 ( 8.709 0.000 0.000) 8.709 16.901 ( -5.145 0.000 0.000) 5.145 16.901 ( 5.145 0.000 0.000) 5.145 17.951 ( -6.187 0.000 0.000) 6.187 17.951 ( 6.187 0.000 0.000) 6.187 18.055 ( -10.791 0.000 0.000) 10.791 18.055 ( 10.791 0.000 0.000) 10.791 18.318 ( -3.169 0.000 0.000) 3.169 18.318 ( 3.169 0.000 0.000) 3.169 18.358 ( -3.835 0.000 0.000) 3.835 18.358 ( 3.835 0.000 0.000) 3.835 18.694 ( -11.058 0.000 0.000) 11.058 18.694 ( 11.058 0.000 0.000) 11.058 18.877 ( -4.052 0.000 0.000) 4.052 18.877 ( 4.052 0.000 0.000) 4.052 19.221 ( -1.190 0.000 0.000) 1.190 19.221 ( 1.190 0.000 0.000) 1.190 19.638 ( -0.865 0.000 0.000) 0.865 19.638 ( 0.865 0.000 0.000) 0.865 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 23.940 0.000) 23.940 0.506 ( 0.000 23.830 0.000) 23.830 0.928 ( 0.000 43.350 0.000) 43.350 1.710 ( 0.000 3.457 0.000) 3.457 1.814 ( 0.000 3.397 0.000) 3.397 2.041 ( 0.000 2.251 0.000) 2.251 2.063 ( 0.000 -0.771 0.000) 0.771 2.109 ( 0.000 -0.787 0.000) 0.787 2.110 ( 0.000 2.720 0.000) 2.720 2.196 ( 0.000 3.613 0.000) 3.613 2.209 ( 0.000 -4.157 0.000) 4.157 2.417 ( 0.000 -1.781 0.000) 1.781 2.460 ( 0.000 -3.053 0.000) 3.053 2.474 ( 0.000 -3.980 0.000) 3.980 2.587 ( 0.000 -2.129 0.000) 2.129 2.682 ( 0.000 -5.545 0.000) 5.545 2.741 ( 0.000 6.568 0.000) 6.568 2.830 ( 0.000 -0.630 0.000) 0.630 2.925 ( 0.000 1.806 0.000) 1.806 3.027 ( 0.000 4.249 0.000) 4.249 3.028 ( 0.000 3.085 0.000) 3.085 3.044 ( 0.000 -4.456 0.000) 4.456 3.084 ( 0.000 -2.171 0.000) 2.171 3.093 ( 0.000 1.911 0.000) 1.911 3.166 ( 0.000 -2.500 0.000) 2.500 3.193 ( 0.000 3.772 0.000) 3.772 3.204 ( 0.000 -1.933 0.000) 1.933 3.252 ( 0.000 -4.960 0.000) 4.960 3.361 ( 0.000 1.456 0.000) 1.456 3.374 ( 0.000 -6.903 0.000) 6.903 3.396 ( 0.000 -3.858 0.000) 3.858 3.439 ( 0.000 -2.716 0.000) 2.716 3.490 ( 0.000 -4.271 0.000) 4.271 3.503 ( 0.000 3.541 0.000) 3.541 3.547 ( 0.000 -4.508 0.000) 4.508 3.580 ( 0.000 1.999 0.000) 1.999 3.609 ( 0.000 -9.094 0.000) 9.094 3.744 ( 0.000 -5.291 0.000) 5.291 3.819 ( 0.000 -0.689 0.000) 0.689 3.819 ( 0.000 2.769 0.000) 2.769 3.833 ( 0.000 -2.861 0.000) 2.861 3.858 ( 0.000 -0.573 0.000) 0.573 3.890 ( 0.000 1.689 0.000) 1.689 3.951 ( 0.000 5.215 0.000) 5.215 3.971 ( 0.000 -14.557 0.000) 14.557 4.009 ( 0.000 -5.214 0.000) 5.214 4.022 ( 0.000 3.744 0.000) 3.744 4.051 ( 0.000 1.402 0.000) 1.402 4.139 ( 0.000 -6.385 0.000) 6.385 4.214 ( 0.000 1.308 0.000) 1.308 4.251 ( 0.000 0.967 0.000) 0.967 4.347 ( 0.000 -2.886 0.000) 2.886 4.364 ( 0.000 3.500 0.000) 3.500 4.364 ( 0.000 3.827 0.000) 3.827 4.439 ( 0.000 5.601 0.000) 5.601 4.499 ( 0.000 3.905 0.000) 3.905 4.683 ( 0.000 -7.057 0.000) 7.057 4.791 ( 0.000 0.306 0.000) 0.306 4.806 ( 0.000 2.412 0.000) 2.412 4.942 ( 0.000 2.321 0.000) 2.321 4.968 ( 0.000 1.142 0.000) 1.142 5.022 ( 0.000 -3.938 0.000) 3.938 5.076 ( 0.000 0.883 0.000) 0.883 5.119 ( 0.000 6.994 0.000) 6.994 5.186 ( 0.000 -4.771 0.000) 4.771 5.210 ( 0.000 2.309 0.000) 2.309 5.261 ( 0.000 -0.565 0.000) 0.565 5.436 ( 0.000 -4.892 0.000) 4.892 5.602 ( 0.000 -2.261 0.000) 2.261 5.697 ( 0.000 3.937 0.000) 3.937 5.815 ( 0.000 1.671 0.000) 1.671 6.125 ( 0.000 -9.118 0.000) 9.118 7.560 ( 0.000 11.707 0.000) 11.707 7.708 ( 0.000 11.302 0.000) 11.302 7.746 ( 0.000 7.649 0.000) 7.649 7.822 ( 0.000 11.507 0.000) 11.507 7.946 ( 0.000 4.510 0.000) 4.510 8.317 ( 0.000 0.714 0.000) 0.714 8.359 ( 0.000 -1.894 0.000) 1.894 8.362 ( 0.000 1.878 0.000) 1.878 8.458 ( 0.000 2.285 0.000) 2.285 8.549 ( 0.000 1.408 0.000) 1.408 8.626 ( 0.000 -1.917 0.000) 1.917 8.752 ( 0.000 3.542 0.000) 3.542 8.775 ( 0.000 -3.217 0.000) 3.217 8.780 ( 0.000 -1.591 0.000) 1.591 8.838 ( 0.000 -3.427 0.000) 3.427 8.956 ( 0.000 -3.822 0.000) 3.822 9.047 ( 0.000 -4.963 0.000) 4.963 9.137 ( 0.000 0.921 0.000) 0.921 9.210 ( 0.000 2.227 0.000) 2.227 9.406 ( 0.000 -7.199 0.000) 7.199 9.427 ( 0.000 -1.599 0.000) 1.599 9.454 ( 0.000 1.878 0.000) 1.878 9.477 ( 0.000 6.106 0.000) 6.106 9.550 ( 0.000 0.325 0.000) 0.325 9.616 ( 0.000 0.398 0.000) 0.398 9.719 ( 0.000 -1.651 0.000) 1.651 9.816 ( 0.000 2.932 0.000) 2.932 9.831 ( 0.000 -0.639 0.000) 0.639 9.984 ( 0.000 4.878 0.000) 4.878 10.053 ( 0.000 -3.298 0.000) 3.298 10.064 ( 0.000 -0.299 0.000) 0.299 10.112 ( 0.000 2.305 0.000) 2.305 10.190 ( 0.000 0.523 0.000) 0.523 10.208 ( 0.000 -1.640 0.000) 1.640 10.209 ( 0.000 -0.767 0.000) 0.767 10.310 ( 0.000 2.199 0.000) 2.199 10.448 ( 0.000 5.334 0.000) 5.334 10.457 ( 0.000 -2.812 0.000) 2.812 10.514 ( 0.000 -4.138 0.000) 4.138 10.685 ( 0.000 -4.621 0.000) 4.621 10.739 ( 0.000 -5.657 0.000) 5.657 10.790 ( 0.000 -1.574 0.000) 1.574 11.015 ( 0.000 2.559 0.000) 2.559 11.051 ( 0.000 -4.185 0.000) 4.185 11.143 ( 0.000 -0.459 0.000) 0.459 11.485 ( 0.000 -5.819 0.000) 5.819 11.495 ( 0.000 -6.402 0.000) 6.402 11.542 ( 0.000 -6.945 0.000) 6.945 11.630 ( 0.000 -2.412 0.000) 2.412 11.661 ( 0.000 -4.052 0.000) 4.052 11.727 ( 0.000 -0.054 0.000) 0.054 11.747 ( 0.000 -1.596 0.000) 1.596 11.854 ( 0.000 4.375 0.000) 4.375 12.128 ( 0.000 0.271 0.000) 0.271 12.163 ( 0.000 -1.538 0.000) 1.538 12.192 ( 0.000 -1.307 0.000) 1.307 12.193 ( 0.000 1.673 0.000) 1.673 12.400 ( 0.000 0.264 0.000) 0.264 12.762 ( 0.000 2.261 0.000) 2.261 12.770 ( 0.000 1.698 0.000) 1.698 13.105 ( 0.000 3.257 0.000) 3.257 13.131 ( 0.000 1.539 0.000) 1.539 13.278 ( 0.000 2.413 0.000) 2.413 13.509 ( 0.000 2.380 0.000) 2.380 13.767 ( 0.000 -6.183 0.000) 6.183 13.845 ( 0.000 0.594 0.000) 0.594 14.062 ( 0.000 -4.933 0.000) 4.933 14.075 ( 0.000 1.771 0.000) 1.771 14.112 ( 0.000 -4.515 0.000) 4.515 14.145 ( 0.000 5.283 0.000) 5.283 14.389 ( 0.000 1.570 0.000) 1.570 14.550 ( 0.000 -1.361 0.000) 1.361 14.592 ( 0.000 -1.138 0.000) 1.138 14.906 ( 0.000 -6.885 0.000) 6.885 15.148 ( 0.000 1.105 0.000) 1.105 15.197 ( 0.000 4.068 0.000) 4.068 15.509 ( 0.000 0.736 0.000) 0.736 15.549 ( 0.000 -0.208 0.000) 0.208 15.589 ( 0.000 0.648 0.000) 0.648 15.639 ( 0.000 2.706 0.000) 2.706 15.661 ( 0.000 1.971 0.000) 1.971 15.708 ( 0.000 5.478 0.000) 5.478 15.829 ( 0.000 1.662 0.000) 1.662 16.097 ( 0.000 2.523 0.000) 2.523 16.134 ( 0.000 6.212 0.000) 6.212 16.138 ( 0.000 -1.089 0.000) 1.089 16.174 ( 0.000 5.807 0.000) 5.807 16.338 ( 0.000 2.065 0.000) 2.065 16.424 ( 0.000 -0.477 0.000) 0.477 16.524 ( 0.000 -6.420 0.000) 6.420 16.722 ( 0.000 1.100 0.000) 1.100 16.862 ( 0.000 -7.778 0.000) 7.778 17.597 ( 0.000 0.984 0.000) 0.984 17.782 ( 0.000 0.508 0.000) 0.508 17.815 ( 0.000 1.090 0.000) 1.090 18.116 ( 0.000 -1.898 0.000) 1.898 18.213 ( 0.000 -1.250 0.000) 1.250 18.244 ( 0.000 0.281 0.000) 0.281 18.309 ( 0.000 -3.692 0.000) 3.692 18.433 ( 0.000 1.558 0.000) 1.558 18.488 ( 0.000 0.685 0.000) 0.685 18.719 ( 0.000 -1.159 0.000) 1.159 18.812 ( 0.000 -0.366 0.000) 0.366 18.958 ( 0.000 -1.279 0.000) 1.279 18.960 ( 0.000 -2.657 0.000) 2.657 19.188 ( 0.000 -6.125 0.000) 6.125 19.548 ( 0.000 -7.274 0.000) 7.274 19.610 ( 0.000 -5.745 0.000) 5.745 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 15.622 16.408 0.000) 22.655 0.785 ( 16.548 19.029 0.000) 25.218 1.368 ( 32.991 23.453 0.000) 40.478 1.529 ( -15.433 6.058 0.000) 16.580 1.646 ( -22.158 4.844 0.000) 22.681 1.896 ( 14.853 2.344 0.000) 15.037 2.113 ( 4.653 -1.047 0.000) 4.770 2.129 ( 2.523 1.787 0.000) 3.092 2.191 ( 4.978 1.763 0.000) 5.281 2.308 ( 0.223 1.312 0.000) 1.331 2.382 ( -1.547 -3.147 0.000) 3.507 2.391 ( -4.438 -1.678 0.000) 4.745 2.414 ( -1.596 -3.447 0.000) 3.799 2.513 ( 5.522 -4.228 0.000) 6.955 2.597 ( -2.115 0.746 0.000) 2.243 2.625 ( 4.943 0.376 0.000) 4.957 2.704 ( -2.987 0.997 0.000) 3.149 2.783 ( -8.924 0.911 0.000) 8.970 2.847 ( -8.245 2.944 0.000) 8.755 2.970 ( 5.200 1.373 0.000) 5.378 3.021 ( -1.571 0.158 0.000) 1.578 3.059 ( -1.266 1.904 0.000) 2.286 3.087 ( 0.396 0.004 0.000) 0.396 3.149 ( -4.338 -3.763 0.000) 5.743 3.233 ( 5.379 -0.345 0.000) 5.390 3.234 ( -0.372 -0.757 0.000) 0.843 3.250 ( -9.742 1.279 0.000) 9.826 3.266 ( 6.755 0.200 0.000) 6.758 3.330 ( 1.688 -4.160 0.000) 4.490 3.352 ( -3.111 0.584 0.000) 3.165 3.369 ( 2.485 -2.394 0.000) 3.450 3.387 ( 5.836 -2.928 0.000) 6.529 3.450 ( 2.201 0.768 0.000) 2.331 3.481 ( -3.974 -2.492 0.000) 4.690 3.521 ( 1.876 -0.114 0.000) 1.879 3.551 ( -1.037 -2.259 0.000) 2.486 3.625 ( 1.215 -5.703 0.000) 5.831 3.695 ( -2.478 -4.282 0.000) 4.947 3.727 ( -8.845 -5.851 0.000) 10.605 3.774 ( -4.840 -0.806 0.000) 4.907 3.848 ( -2.007 -2.653 0.000) 3.326 3.858 ( 0.076 -3.904 0.000) 3.905 3.915 ( 3.075 -0.761 0.000) 3.168 3.931 ( 1.644 2.933 0.000) 3.362 3.948 ( 1.837 1.368 0.000) 2.291 4.023 ( -2.519 3.018 0.000) 3.931 4.077 ( 3.860 -0.289 0.000) 3.871 4.081 ( -5.053 -5.125 0.000) 7.197 4.090 ( 2.189 -9.833 0.000) 10.074 4.185 ( -0.350 1.749 0.000) 1.784 4.211 ( -3.195 0.961 0.000) 3.336 4.305 ( -0.110 3.049 0.000) 3.051 4.357 ( -1.848 3.425 0.000) 3.891 4.419 ( 6.116 4.702 0.000) 7.715 4.431 ( -4.877 1.827 0.000) 5.207 4.524 ( 4.437 1.395 0.000) 4.651 4.731 ( -3.326 -5.075 0.000) 6.068 4.756 ( -4.946 0.917 0.000) 5.030 4.840 ( 1.170 -3.750 0.000) 3.929 4.964 ( -1.086 1.237 0.000) 1.646 4.986 ( 3.789 2.298 0.000) 4.432 5.007 ( -5.170 1.837 0.000) 5.486 5.042 ( 3.443 2.979 0.000) 4.553 5.220 ( 8.263 -3.218 0.000) 8.868 5.251 ( -2.581 -0.399 0.000) 2.612 5.288 ( 3.926 -1.634 0.000) 4.253 5.362 ( 9.355 -11.337 0.000) 14.699 5.424 ( -1.360 -4.703 0.000) 4.895 5.690 ( 5.284 0.484 0.000) 5.306 5.755 ( 6.008 -1.627 0.000) 6.224 5.805 ( -1.013 2.080 0.000) 2.313 6.068 ( -5.225 -8.580 0.000) 10.045 7.605 ( 4.134 10.536 0.000) 11.318 7.715 ( 0.703 11.481 0.000) 11.502 7.737 ( -0.771 9.423 0.000) 9.455 7.852 ( -1.371 6.304 0.000) 6.451 7.937 ( 2.335 8.002 0.000) 8.336 8.232 ( -6.532 2.372 0.000) 6.950 8.346 ( -0.099 0.540 0.000) 0.549 8.368 ( -0.323 2.254 0.000) 2.277 8.451 ( 0.408 2.217 0.000) 2.254 8.583 ( -3.765 0.504 0.000) 3.799 8.596 ( 3.415 0.743 0.000) 3.495 8.726 ( -1.799 0.776 0.000) 1.959 8.798 ( 1.537 -1.502 0.000) 2.149 8.825 ( 2.187 -0.915 0.000) 2.371 8.869 ( 2.688 -3.294 0.000) 4.252 8.979 ( 0.871 -2.869 0.000) 2.998 9.018 ( -2.195 -3.915 0.000) 4.489 9.158 ( -4.652 1.381 0.000) 4.852 9.176 ( 4.855 -0.310 0.000) 4.865 9.351 ( -2.573 -1.794 0.000) 3.136 9.417 ( -2.173 4.897 0.000) 5.357 9.463 ( 0.688 -1.806 0.000) 1.932 9.523 ( 4.095 4.011 0.000) 5.732 9.527 ( -0.505 1.232 0.000) 1.331 9.617 ( -0.500 -1.882 0.000) 1.947 9.709 ( -1.330 0.538 0.000) 1.434 9.765 ( -3.594 2.903 0.000) 4.620 9.781 ( -3.736 -0.511 0.000) 3.771 9.933 ( -3.566 4.980 0.000) 6.125 9.951 ( -5.231 1.021 0.000) 5.330 10.082 ( 0.739 -1.748 0.000) 1.898 10.137 ( -0.629 0.466 0.000) 0.783 10.203 ( 1.436 -0.700 0.000) 1.597 10.220 ( 0.471 -1.896 0.000) 1.954 10.321 ( -0.205 1.797 0.000) 1.809 10.322 ( -0.252 -1.472 0.000) 1.494 10.342 ( 4.974 0.689 0.000) 5.021 10.418 ( -3.702 3.335 0.000) 4.983 10.566 ( 3.527 0.345 0.000) 3.544 10.627 ( -1.992 -5.034 0.000) 5.414 10.680 ( -3.920 -1.652 0.000) 4.253 10.861 ( -4.499 -1.334 0.000) 4.692 10.896 ( -2.585 -0.318 0.000) 2.605 10.919 ( -19.225 22.077 0.000) 29.275 11.157 ( 4.694 -2.763 0.000) 5.447 11.189 ( 5.595 -2.045 0.000) 5.957 11.390 ( -9.650 -1.820 0.000) 9.820 11.500 ( -5.108 -3.469 0.000) 6.175 11.506 ( -3.564 -1.528 0.000) 3.878 11.679 ( -10.344 3.173 0.000) 10.820 11.813 ( 2.862 1.239 0.000) 3.119 11.832 ( 8.746 -2.707 0.000) 9.156 11.997 ( 14.614 -4.693 0.000) 15.349 12.064 ( -4.614 -0.036 0.000) 4.614 12.150 ( -3.738 -0.951 0.000) 3.857 12.196 ( 1.103 -0.972 0.000) 1.470 12.244 ( 4.414 1.620 0.000) 4.702 12.358 ( -0.817 3.201 0.000) 3.303 12.625 ( -2.227 2.240 0.000) 3.159 12.734 ( -2.228 1.280 0.000) 2.569 12.818 ( -2.523 8.244 0.000) 8.621 13.163 ( -10.405 1.058 0.000) 10.458 13.193 ( 7.465 1.966 0.000) 7.719 13.309 ( 9.384 2.141 0.000) 9.625 13.494 ( -1.474 1.039 0.000) 1.803 13.708 ( -6.370 -2.220 0.000) 6.746 13.972 ( -0.164 -0.381 0.000) 0.415 14.028 ( 2.173 -2.757 0.000) 3.510 14.267 ( -7.782 1.704 0.000) 7.967 14.323 ( 6.973 -2.048 0.000) 7.268 14.378 ( -1.095 0.908 0.000) 1.422 14.594 ( -0.958 -1.477 0.000) 1.760 14.902 ( 0.383 -4.966 0.000) 4.981 14.931 ( 4.123 -7.422 0.000) 8.490 15.089 ( -6.787 3.400 0.000) 7.591 15.107 ( -4.730 1.855 0.000) 5.081 15.497 ( -0.568 0.406 0.000) 0.698 15.534 ( -1.348 -0.113 0.000) 1.353 15.614 ( -0.409 3.867 0.000) 3.889 15.659 ( -1.952 4.528 0.000) 4.931 15.697 ( 2.935 2.418 0.000) 3.803 15.863 ( -2.699 -0.560 0.000) 2.757 15.963 ( 8.947 1.488 0.000) 9.070 16.118 ( 1.705 3.112 0.000) 3.548 16.145 ( 0.749 6.041 0.000) 6.087 16.207 ( 6.118 -1.703 0.000) 6.351 16.283 ( -2.972 2.071 0.000) 3.623 16.375 ( 6.480 -4.048 0.000) 7.641 16.473 ( -4.282 -4.797 0.000) 6.430 16.706 ( -6.787 -5.253 0.000) 8.582 16.766 ( 12.807 -13.959 0.000) 18.944 16.792 ( 0.705 -1.309 0.000) 1.487 17.766 ( 12.618 -1.227 0.000) 12.678 17.830 ( 4.194 0.038 0.000) 4.194 18.056 ( -4.662 -1.502 0.000) 4.898 18.092 ( 9.143 -9.727 0.000) 13.349 18.224 ( 1.114 -2.535 0.000) 2.769 18.272 ( -2.837 -6.087 0.000) 6.716 18.298 ( 3.616 0.861 0.000) 3.717 18.452 ( -3.024 0.693 0.000) 3.103 18.499 ( 6.409 0.950 0.000) 6.479 18.763 ( 4.333 -2.046 0.000) 4.792 18.878 ( -6.281 -2.287 0.000) 6.684 18.933 ( -2.372 -1.329 0.000) 2.719 18.943 ( 8.269 -9.398 0.000) 12.518 19.165 ( -2.132 -7.014 0.000) 7.331 19.554 ( 0.628 -6.751 0.000) 6.780 19.598 ( -1.001 -5.721 0.000) 5.808 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -18.987 8.951 0.000) 20.991 1.086 ( 18.987 8.951 0.000) 20.991 1.183 ( -19.835 11.602 0.000) 22.979 1.183 ( 19.835 11.602 0.000) 22.979 2.150 ( -18.566 4.851 0.000) 19.189 2.150 ( 18.566 4.851 0.000) 19.189 2.183 ( -4.349 -1.765 0.000) 4.693 2.183 ( 4.349 -1.765 0.000) 4.693 2.261 ( -8.936 3.943 0.000) 9.767 2.261 ( 8.936 3.943 0.000) 9.767 2.300 ( -1.411 3.222 0.000) 3.518 2.300 ( 1.411 3.222 0.000) 3.518 2.399 ( -3.683 1.655 0.000) 4.038 2.399 ( 3.683 1.655 0.000) 4.038 2.462 ( -2.448 -1.698 0.000) 2.979 2.462 ( 2.448 -1.698 0.000) 2.979 2.797 ( -1.983 0.624 0.000) 2.079 2.797 ( 1.983 0.624 0.000) 2.079 2.872 ( -12.727 -1.239 0.000) 12.787 2.872 ( 12.727 -1.239 0.000) 12.787 2.921 ( -2.776 3.365 0.000) 4.362 2.921 ( 2.776 3.365 0.000) 4.362 3.180 ( -2.060 -0.348 0.000) 2.090 3.180 ( 2.060 -0.348 0.000) 2.090 3.187 ( -5.260 0.421 0.000) 5.276 3.187 ( 5.260 0.421 0.000) 5.276 3.307 ( -1.835 -6.688 0.000) 6.936 3.307 ( 1.835 -6.688 0.000) 6.936 3.363 ( -2.095 -2.835 0.000) 3.526 3.363 ( 2.095 -2.835 0.000) 3.526 3.428 ( -3.587 -4.850 0.000) 6.033 3.428 ( 3.587 -4.850 0.000) 6.033 3.503 ( -2.158 -0.782 0.000) 2.295 3.503 ( 2.158 -0.782 0.000) 2.295 3.582 ( -6.106 -0.075 0.000) 6.106 3.582 ( 6.106 -0.075 0.000) 6.106 3.602 ( -3.997 -2.363 0.000) 4.643 3.602 ( 3.997 -2.363 0.000) 4.643 3.636 ( -5.505 -2.241 0.000) 5.944 3.636 ( 5.505 -2.241 0.000) 5.944 3.844 ( -0.730 -1.484 0.000) 1.654 3.844 ( 0.730 -1.484 0.000) 1.654 3.950 ( -2.020 0.666 0.000) 2.127 3.950 ( 2.020 0.666 0.000) 2.127 3.980 ( -0.659 1.885 0.000) 1.997 3.980 ( 0.659 1.885 0.000) 1.997 4.065 ( -4.803 -4.984 0.000) 6.922 4.065 ( 4.803 -4.984 0.000) 6.922 4.146 ( -2.506 -2.234 0.000) 3.358 4.146 ( 2.506 -2.234 0.000) 3.358 4.240 ( -6.008 -0.574 0.000) 6.035 4.240 ( 6.008 -0.574 0.000) 6.035 4.364 ( -3.050 2.583 0.000) 3.997 4.364 ( 3.050 2.583 0.000) 3.997 4.586 ( -9.033 6.661 0.000) 11.223 4.586 ( 9.033 6.661 0.000) 11.223 4.621 ( -5.400 -1.314 0.000) 5.557 4.621 ( 5.400 -1.314 0.000) 5.557 4.902 ( -4.445 -2.808 0.000) 5.258 4.902 ( 4.445 -2.808 0.000) 5.258 5.000 ( -2.686 2.226 0.000) 3.489 5.000 ( 2.686 2.226 0.000) 3.489 5.136 ( -6.390 0.461 0.000) 6.407 5.136 ( 6.390 0.461 0.000) 6.407 5.364 ( -4.645 -4.126 0.000) 6.213 5.364 ( 4.645 -4.126 0.000) 6.213 5.406 ( -4.195 -5.476 0.000) 6.898 5.406 ( 4.195 -5.476 0.000) 6.898 5.768 ( -2.558 2.788 0.000) 3.783 5.768 ( 2.558 2.788 0.000) 3.783 5.919 ( -8.156 -6.874 0.000) 10.667 5.919 ( 8.156 -6.874 0.000) 10.667 7.707 ( -3.303 8.418 0.000) 9.043 7.707 ( 3.303 8.418 0.000) 9.043 7.750 ( -4.130 10.622 0.000) 11.397 7.750 ( 4.130 10.622 0.000) 11.397 8.071 ( -7.945 5.983 0.000) 9.946 8.071 ( 7.945 5.983 0.000) 9.946 8.356 ( -0.668 1.210 0.000) 1.382 8.356 ( 0.668 1.210 0.000) 1.382 8.494 ( -3.611 3.105 0.000) 4.762 8.494 ( 3.611 3.105 0.000) 4.762 8.671 ( -3.335 0.372 0.000) 3.356 8.671 ( 3.335 0.372 0.000) 3.356 8.832 ( -1.220 -1.274 0.000) 1.764 8.832 ( 1.220 -1.274 0.000) 1.764 8.938 ( -3.390 -3.497 0.000) 4.871 8.938 ( 3.390 -3.497 0.000) 4.871 9.048 ( -4.508 -0.023 0.000) 4.508 9.048 ( 4.508 -0.023 0.000) 4.508 9.295 ( -3.937 -0.988 0.000) 4.059 9.295 ( 3.937 -0.988 0.000) 4.059 9.431 ( -2.962 2.824 0.000) 4.092 9.431 ( 2.962 2.824 0.000) 4.092 9.555 ( -2.808 0.049 0.000) 2.808 9.555 ( 2.808 0.049 0.000) 2.808 9.642 ( -4.511 0.599 0.000) 4.551 9.642 ( 4.511 0.599 0.000) 4.551 9.721 ( -0.519 1.501 0.000) 1.588 9.721 ( 0.519 1.501 0.000) 1.588 9.894 ( -0.443 1.688 0.000) 1.745 9.894 ( 0.443 1.688 0.000) 1.745 10.100 ( -1.690 -1.183 0.000) 2.062 10.100 ( 1.690 -1.183 0.000) 2.062 10.221 ( -0.223 -2.500 0.000) 2.510 10.221 ( 0.223 -2.500 0.000) 2.510 10.293 ( -1.349 0.094 0.000) 1.352 10.293 ( 1.349 0.094 0.000) 1.352 10.435 ( -1.716 9.823 0.000) 9.972 10.435 ( 1.716 9.823 0.000) 9.972 10.595 ( -0.908 -4.457 0.000) 4.549 10.595 ( 0.908 -4.457 0.000) 4.549 10.718 ( -7.413 -0.980 0.000) 7.478 10.718 ( 7.413 -0.980 0.000) 7.478 10.801 ( -3.204 4.369 0.000) 5.418 10.801 ( 3.204 4.369 0.000) 5.418 11.248 ( -4.653 -2.882 0.000) 5.473 11.248 ( 4.653 -2.882 0.000) 5.473 11.361 ( -8.275 -3.361 0.000) 8.932 11.361 ( 8.275 -3.361 0.000) 8.932 11.513 ( -4.262 0.459 0.000) 4.286 11.513 ( 4.262 0.459 0.000) 4.286 11.916 ( -5.058 -0.735 0.000) 5.111 11.916 ( 5.058 -0.735 0.000) 5.111 12.034 ( -6.105 -0.611 0.000) 6.135 12.034 ( 6.105 -0.611 0.000) 6.135 12.185 ( -3.365 -2.249 0.000) 4.048 12.185 ( 3.365 -2.249 0.000) 4.048 12.328 ( -2.825 2.173 0.000) 3.564 12.328 ( 2.825 2.173 0.000) 3.564 12.688 ( -2.288 -1.531 0.000) 2.753 12.688 ( 2.288 -1.531 0.000) 2.753 12.903 ( -11.288 2.816 0.000) 11.634 12.903 ( 11.288 2.816 0.000) 11.634 13.404 ( -8.461 -1.275 0.000) 8.557 13.404 ( 8.461 -1.275 0.000) 8.557 13.519 ( -9.731 1.107 0.000) 9.794 13.519 ( 9.731 1.107 0.000) 9.794 14.080 ( -8.390 0.619 0.000) 8.413 14.080 ( 8.390 0.619 0.000) 8.413 14.164 ( -10.710 -1.734 0.000) 10.850 14.164 ( 10.710 -1.734 0.000) 10.850 14.520 ( -6.197 -1.806 0.000) 6.455 14.520 ( 6.197 -1.806 0.000) 6.455 14.965 ( -3.475 -1.983 0.000) 4.001 14.965 ( 3.475 -1.983 0.000) 4.001 15.002 ( -0.097 1.141 0.000) 1.145 15.002 ( 0.097 1.141 0.000) 1.145 15.503 ( -1.138 0.098 0.000) 1.142 15.503 ( 1.138 0.098 0.000) 1.142 15.624 ( -1.143 4.360 0.000) 4.507 15.624 ( 1.143 4.360 0.000) 4.507 15.776 ( -4.244 2.558 0.000) 4.955 15.776 ( 4.244 2.558 0.000) 4.955 16.122 ( -3.352 2.253 0.000) 4.038 16.122 ( 3.352 2.253 0.000) 4.038 16.171 ( -3.549 4.502 0.000) 5.732 16.171 ( 3.549 4.502 0.000) 5.732 16.360 ( -6.058 -2.931 0.000) 6.730 16.360 ( 6.058 -2.931 0.000) 6.730 16.527 ( -8.084 -4.308 0.000) 9.160 16.527 ( 8.084 -4.308 0.000) 9.160 16.840 ( -1.521 -4.586 0.000) 4.832 16.840 ( 1.521 -4.586 0.000) 4.832 17.940 ( -5.630 -0.935 0.000) 5.707 17.940 ( 5.630 -0.935 0.000) 5.707 18.028 ( -10.235 -2.358 0.000) 10.503 18.028 ( 10.235 -2.358 0.000) 10.503 18.246 ( -0.702 -5.440 0.000) 5.485 18.246 ( 0.702 -5.440 0.000) 5.485 18.377 ( -3.729 0.963 0.000) 3.851 18.377 ( 3.729 0.963 0.000) 3.851 18.687 ( -10.148 -0.545 0.000) 10.163 18.687 ( 10.148 -0.545 0.000) 10.163 18.861 ( -4.227 -1.564 0.000) 4.507 18.861 ( 4.227 -1.564 0.000) 4.507 19.093 ( -4.949 -9.775 0.000) 10.956 19.093 ( 4.949 -9.775 0.000) 10.956 19.574 ( -1.153 -5.974 0.000) 6.084 19.574 ( 1.153 -5.974 0.000) 6.084 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 21.596 0.000) 21.596 0.991 ( 0.000 22.585 0.000) 22.585 1.771 ( 0.000 35.676 0.000) 35.676 1.808 ( 0.000 5.675 0.000) 5.675 1.909 ( 0.000 5.396 0.000) 5.396 2.050 ( 0.000 -4.999 0.000) 4.999 2.099 ( 0.000 5.874 0.000) 5.874 2.111 ( 0.000 4.166 0.000) 4.166 2.181 ( 0.000 4.325 0.000) 4.325 2.184 ( 0.000 2.968 0.000) 2.968 2.269 ( 0.000 3.153 0.000) 3.153 2.367 ( 0.000 -2.909 0.000) 2.909 2.389 ( 0.000 -3.968 0.000) 3.968 2.484 ( 0.000 4.756 0.000) 4.756 2.519 ( 0.000 -8.759 0.000) 8.759 2.522 ( 0.000 -3.616 0.000) 3.616 2.840 ( 0.000 1.625 0.000) 1.625 2.880 ( 0.000 6.778 0.000) 6.778 2.929 ( 0.000 -2.859 0.000) 2.859 2.938 ( 0.000 -5.696 0.000) 5.696 2.994 ( 0.000 -6.807 0.000) 6.807 3.070 ( 0.000 -5.595 0.000) 5.595 3.074 ( 0.000 -0.947 0.000) 0.947 3.088 ( 0.000 -10.503 0.000) 10.503 3.125 ( 0.000 3.600 0.000) 3.600 3.136 ( 0.000 4.804 0.000) 4.804 3.173 ( 0.000 -11.454 0.000) 11.454 3.175 ( 0.000 -1.121 0.000) 1.121 3.256 ( 0.000 0.040 0.000) 0.040 3.298 ( 0.000 -4.719 0.000) 4.719 3.315 ( 0.000 -14.130 0.000) 14.130 3.331 ( 0.000 -3.966 0.000) 3.966 3.364 ( 0.000 -3.954 0.000) 3.954 3.455 ( 0.000 0.912 0.000) 0.912 3.475 ( 0.000 -2.023 0.000) 2.023 3.584 ( 0.000 -3.783 0.000) 3.783 3.596 ( 0.000 -0.987 0.000) 0.987 3.663 ( 0.000 -2.264 0.000) 2.264 3.763 ( 0.000 -4.080 0.000) 4.080 3.779 ( 0.000 2.366 0.000) 2.366 3.802 ( 0.000 2.210 0.000) 2.210 3.828 ( 0.000 -3.629 0.000) 3.629 3.840 ( 0.000 -1.806 0.000) 1.806 3.929 ( 0.000 0.125 0.000) 0.125 3.936 ( 0.000 0.349 0.000) 0.349 3.990 ( 0.000 -7.454 0.000) 7.454 4.055 ( 0.000 3.439 0.000) 3.439 4.087 ( 0.000 2.417 0.000) 2.417 4.149 ( 0.000 3.506 0.000) 3.506 4.189 ( 0.000 0.519 0.000) 0.519 4.246 ( 0.000 -1.051 0.000) 1.051 4.259 ( 0.000 -5.085 0.000) 5.085 4.365 ( 0.000 -3.795 0.000) 3.795 4.485 ( 0.000 8.749 0.000) 8.749 4.516 ( 0.000 -1.766 0.000) 1.766 4.593 ( 0.000 8.546 0.000) 8.546 4.638 ( 0.000 3.307 0.000) 3.307 4.782 ( 0.000 -1.968 0.000) 1.968 4.881 ( 0.000 4.343 0.000) 4.343 4.914 ( 0.000 -6.009 0.000) 6.009 4.986 ( 0.000 0.566 0.000) 0.566 5.027 ( 0.000 5.188 0.000) 5.188 5.089 ( 0.000 0.680 0.000) 0.680 5.107 ( 0.000 -1.849 0.000) 1.849 5.212 ( 0.000 -5.280 0.000) 5.280 5.231 ( 0.000 2.486 0.000) 2.486 5.260 ( 0.000 2.850 0.000) 2.850 5.293 ( 0.000 -8.669 0.000) 8.669 5.530 ( 0.000 -4.410 0.000) 4.410 5.791 ( 0.000 4.669 0.000) 4.669 5.856 ( 0.000 -0.031 0.000) 0.031 5.892 ( 0.000 -9.913 0.000) 9.913 7.834 ( 0.000 12.531 0.000) 12.531 7.940 ( 0.000 9.732 0.000) 9.732 8.023 ( 0.000 17.639 0.000) 17.639 8.095 ( 0.000 9.811 0.000) 9.811 8.117 ( 0.000 14.956 0.000) 14.956 8.306 ( 0.000 -3.041 0.000) 3.041 8.357 ( 0.000 3.508 0.000) 3.508 8.408 ( 0.000 2.638 0.000) 2.638 8.537 ( 0.000 5.551 0.000) 5.551 8.576 ( 0.000 0.588 0.000) 0.588 8.605 ( 0.000 0.122 0.000) 0.122 8.722 ( 0.000 -0.900 0.000) 0.900 8.740 ( 0.000 -1.924 0.000) 1.924 8.745 ( 0.000 -5.013 0.000) 5.013 8.825 ( 0.000 3.053 0.000) 3.053 8.844 ( 0.000 -6.402 0.000) 6.402 8.927 ( 0.000 -5.481 0.000) 5.481 9.162 ( 0.000 1.358 0.000) 1.358 9.228 ( 0.000 -9.373 0.000) 9.373 9.256 ( 0.000 1.644 0.000) 1.644 9.384 ( 0.000 -2.494 0.000) 2.494 9.485 ( 0.000 0.295 0.000) 0.295 9.512 ( 0.000 -4.238 0.000) 4.238 9.543 ( 0.000 -6.793 0.000) 6.793 9.656 ( 0.000 10.239 0.000) 10.239 9.724 ( 0.000 2.262 0.000) 2.262 9.828 ( 0.000 0.564 0.000) 0.564 9.878 ( 0.000 2.816 0.000) 2.816 9.965 ( 0.000 -5.877 0.000) 5.877 9.983 ( 0.000 -3.067 0.000) 3.067 10.127 ( 0.000 -4.212 0.000) 4.212 10.142 ( 0.000 -1.224 0.000) 1.224 10.168 ( 0.000 -3.210 0.000) 3.210 10.228 ( 0.000 13.175 0.000) 13.175 10.236 ( 0.000 5.666 0.000) 5.666 10.297 ( 0.000 -5.313 0.000) 5.313 10.413 ( 0.000 -2.185 0.000) 2.185 10.478 ( 0.000 2.854 0.000) 2.854 10.547 ( 0.000 -8.239 0.000) 8.239 10.603 ( 0.000 8.986 0.000) 8.986 10.604 ( 0.000 -5.671 0.000) 5.671 10.759 ( 0.000 -1.551 0.000) 1.551 10.944 ( 0.000 -5.676 0.000) 5.676 11.078 ( 0.000 3.360 0.000) 3.360 11.134 ( 0.000 -0.279 0.000) 0.279 11.309 ( 0.000 -9.921 0.000) 9.921 11.317 ( 0.000 -10.184 0.000) 10.184 11.413 ( 0.000 -5.824 0.000) 5.824 11.545 ( 0.000 -6.630 0.000) 6.630 11.581 ( 0.000 -1.734 0.000) 1.734 11.687 ( 0.000 -4.165 0.000) 4.165 11.705 ( 0.000 -1.812 0.000) 1.812 11.946 ( 0.000 4.097 0.000) 4.097 12.122 ( 0.000 -2.157 0.000) 2.157 12.132 ( 0.000 -0.214 0.000) 0.214 12.156 ( 0.000 -2.068 0.000) 2.068 12.234 ( 0.000 2.270 0.000) 2.270 12.398 ( 0.000 -0.568 0.000) 0.568 12.809 ( 0.000 1.906 0.000) 1.906 12.819 ( 0.000 2.809 0.000) 2.809 13.183 ( 0.000 3.487 0.000) 3.487 13.196 ( 0.000 5.091 0.000) 5.091 13.350 ( 0.000 4.275 0.000) 4.275 13.554 ( 0.000 1.347 0.000) 1.347 13.631 ( 0.000 -6.482 0.000) 6.482 13.853 ( 0.000 -0.299 0.000) 0.299 13.966 ( 0.000 -3.410 0.000) 3.410 14.002 ( 0.000 -5.250 0.000) 5.250 14.123 ( 0.000 2.725 0.000) 2.725 14.245 ( 0.000 3.854 0.000) 3.854 14.418 ( 0.000 1.120 0.000) 1.120 14.522 ( 0.000 -1.108 0.000) 1.108 14.557 ( 0.000 -2.070 0.000) 2.070 14.749 ( 0.000 -7.784 0.000) 7.784 15.174 ( 0.000 1.296 0.000) 1.296 15.261 ( 0.000 1.789 0.000) 1.789 15.534 ( 0.000 1.504 0.000) 1.504 15.550 ( 0.000 0.411 0.000) 0.411 15.634 ( 0.000 3.503 0.000) 3.503 15.712 ( 0.000 4.199 0.000) 4.199 15.720 ( 0.000 3.497 0.000) 3.497 15.825 ( 0.000 5.304 0.000) 5.304 15.870 ( 0.000 1.992 0.000) 1.992 16.111 ( 0.000 -1.474 0.000) 1.474 16.131 ( 0.000 -0.733 0.000) 0.733 16.284 ( 0.000 7.114 0.000) 7.114 16.285 ( 0.000 4.246 0.000) 4.246 16.356 ( 0.000 -9.044 0.000) 9.044 16.391 ( 0.000 2.832 0.000) 2.832 16.472 ( 0.000 5.984 0.000) 5.984 16.682 ( 0.000 -8.087 0.000) 8.087 16.750 ( 0.000 1.351 0.000) 1.351 17.632 ( 0.000 2.553 0.000) 2.553 17.800 ( 0.000 1.251 0.000) 1.251 17.846 ( 0.000 1.845 0.000) 1.845 18.064 ( 0.000 -2.861 0.000) 2.861 18.176 ( 0.000 -2.287 0.000) 2.287 18.206 ( 0.000 -5.806 0.000) 5.806 18.256 ( 0.000 0.969 0.000) 0.969 18.487 ( 0.000 3.853 0.000) 3.853 18.495 ( 0.000 -0.467 0.000) 0.467 18.689 ( 0.000 -1.585 0.000) 1.585 18.805 ( 0.000 -0.180 0.000) 0.180 18.902 ( 0.000 -2.028 0.000) 2.028 18.920 ( 0.000 -2.322 0.000) 2.322 19.021 ( 0.000 -9.101 0.000) 9.101 19.342 ( 0.000 -11.891 0.000) 11.891 19.447 ( 0.000 -9.449 0.000) 9.449 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 8.408 18.340 0.000) 20.176 1.190 ( 13.579 19.422 0.000) 23.698 1.650 ( -15.603 7.126 0.000) 17.154 1.801 ( -16.161 10.007 0.000) 19.009 1.962 ( 17.108 26.246 0.000) 31.329 1.974 ( 13.476 5.034 0.000) 14.385 2.108 ( 3.079 -0.168 0.000) 3.083 2.176 ( 1.372 2.625 0.000) 2.962 2.201 ( 6.593 2.841 0.000) 7.179 2.317 ( -0.975 -2.402 0.000) 2.592 2.347 ( 2.027 2.354 0.000) 3.106 2.366 ( -1.416 -0.287 0.000) 1.445 2.437 ( 3.489 -3.688 0.000) 5.076 2.448 ( -1.651 6.211 0.000) 6.426 2.573 ( 6.103 -3.749 0.000) 7.162 2.591 ( 6.723 -1.627 0.000) 6.918 2.751 ( -13.217 1.576 0.000) 13.310 2.817 ( 0.281 2.438 0.000) 2.454 2.870 ( -3.878 -2.261 0.000) 4.489 2.940 ( -0.264 -2.882 0.000) 2.894 2.962 ( -0.964 -2.651 0.000) 2.821 3.023 ( -4.293 -5.564 0.000) 7.027 3.085 ( 3.821 -0.728 0.000) 3.890 3.097 ( 0.755 -9.747 0.000) 9.776 3.110 ( -4.439 -2.235 0.000) 4.970 3.183 ( 3.239 -8.474 0.000) 9.072 3.205 ( 2.014 -4.269 0.000) 4.720 3.212 ( 0.562 -6.711 0.000) 6.735 3.263 ( 0.632 -5.547 0.000) 5.582 3.307 ( 3.015 -5.625 0.000) 6.382 3.312 ( -8.363 -0.921 0.000) 8.413 3.336 ( 0.499 -0.377 0.000) 0.625 3.430 ( 6.000 -1.151 0.000) 6.109 3.433 ( -2.648 -1.595 0.000) 3.092 3.519 ( 2.923 -1.724 0.000) 3.394 3.555 ( -2.883 -2.301 0.000) 3.689 3.568 ( 0.785 -1.857 0.000) 2.016 3.595 ( -0.146 -0.918 0.000) 0.930 3.649 ( -6.919 7.496 0.000) 10.202 3.743 ( -5.044 -1.946 0.000) 5.406 3.774 ( -1.810 -3.386 0.000) 3.840 3.829 ( 0.508 -1.505 0.000) 1.588 3.865 ( 3.998 -2.887 0.000) 4.931 3.925 ( -0.616 -5.988 0.000) 6.020 3.960 ( -1.088 -3.303 0.000) 3.478 4.005 ( 4.099 2.059 0.000) 4.587 4.014 ( -1.988 3.555 0.000) 4.073 4.100 ( 0.010 3.998 0.000) 3.998 4.134 ( -2.209 3.837 0.000) 4.428 4.219 ( -2.633 -0.344 0.000) 2.655 4.227 ( 2.316 3.009 0.000) 3.797 4.324 ( 0.131 -0.787 0.000) 0.798 4.339 ( -4.962 -4.901 0.000) 6.974 4.450 ( 6.477 0.386 0.000) 6.488 4.479 ( -2.050 2.932 0.000) 3.578 4.643 ( 3.480 8.076 0.000) 8.794 4.672 ( 0.383 0.589 0.000) 0.703 4.748 ( -2.892 -2.176 0.000) 3.619 4.801 ( -2.927 -0.148 0.000) 2.931 4.973 ( -1.167 -0.574 0.000) 1.301 5.004 ( 3.941 -0.697 0.000) 4.002 5.021 ( -5.006 -0.365 0.000) 5.019 5.092 ( 0.740 0.537 0.000) 0.914 5.145 ( 4.888 -3.758 0.000) 6.166 5.207 ( -2.961 -2.258 0.000) 3.723 5.250 ( 5.450 -1.069 0.000) 5.554 5.282 ( -0.439 -6.327 0.000) 6.342 5.326 ( 3.353 1.072 0.000) 3.520 5.603 ( 5.845 -6.167 0.000) 8.497 5.808 ( 1.479 4.129 0.000) 4.386 5.840 ( -3.249 -10.588 0.000) 11.075 5.862 ( -0.987 1.674 0.000) 1.944 7.844 ( 1.003 10.680 0.000) 10.727 7.928 ( -1.484 7.942 0.000) 8.080 8.029 ( 0.456 17.129 0.000) 17.135 8.060 ( -1.686 12.319 0.000) 12.433 8.160 ( 3.144 12.952 0.000) 13.328 8.312 ( -2.907 5.584 0.000) 6.295 8.330 ( 1.887 -1.230 0.000) 2.253 8.417 ( -1.254 2.182 0.000) 2.517 8.530 ( 1.493 5.263 0.000) 5.470 8.604 ( -0.173 1.928 0.000) 1.935 8.612 ( 2.377 0.925 0.000) 2.551 8.723 ( -0.659 -0.283 0.000) 0.717 8.754 ( 1.690 -2.995 0.000) 3.439 8.787 ( 2.925 -3.620 0.000) 4.654 8.818 ( -0.662 -0.991 0.000) 1.191 8.888 ( 1.559 -5.244 0.000) 5.471 8.925 ( 1.355 -3.473 0.000) 3.728 9.174 ( 2.028 0.049 0.000) 2.028 9.175 ( -6.208 -0.847 0.000) 6.266 9.261 ( 1.609 -6.347 0.000) 6.548 9.388 ( 1.115 -2.368 0.000) 2.618 9.456 ( -2.323 -0.973 0.000) 2.519 9.491 ( -1.405 -3.428 0.000) 3.705 9.506 ( -3.249 -7.865 0.000) 8.510 9.693 ( 2.677 8.289 0.000) 8.710 9.747 ( 1.809 2.873 0.000) 3.395 9.789 ( -2.320 1.701 0.000) 2.877 9.816 ( -4.238 2.161 0.000) 4.758 9.972 ( -1.185 -0.885 0.000) 1.479 9.993 ( -0.418 -2.033 0.000) 2.075 10.134 ( -3.875 1.419 0.000) 4.127 10.137 ( -0.408 -0.588 0.000) 0.716 10.150 ( 2.326 -4.760 0.000) 5.298 10.173 ( -1.661 3.552 0.000) 3.922 10.272 ( -3.226 -0.873 0.000) 3.342 10.285 ( -1.885 -3.503 0.000) 3.978 10.339 ( 3.042 -0.099 0.000) 3.043 10.527 ( -1.036 -3.914 0.000) 4.049 10.549 ( 6.292 7.281 0.000) 9.623 10.555 ( -2.539 -2.112 0.000) 3.303 10.679 ( 3.621 3.974 0.000) 5.376 10.786 ( -1.813 -5.098 0.000) 5.411 10.878 ( -3.011 -2.176 0.000) 3.715 11.091 ( -8.309 -1.561 0.000) 8.454 11.115 ( 2.673 -0.550 0.000) 2.729 11.154 ( 3.689 -0.444 0.000) 3.716 11.289 ( -3.745 -8.201 0.000) 9.015 11.466 ( -4.230 -0.780 0.000) 4.301 11.470 ( -0.489 -1.729 0.000) 1.797 11.728 ( -2.560 -1.022 0.000) 2.756 11.765 ( 9.961 -3.246 0.000) 10.477 11.842 ( 4.068 -1.060 0.000) 4.203 11.916 ( 5.726 -0.300 0.000) 5.734 12.050 ( -4.181 -1.380 0.000) 4.403 12.129 ( -3.039 -0.721 0.000) 3.123 12.174 ( 0.441 -1.174 0.000) 1.254 12.285 ( 4.734 2.248 0.000) 5.240 12.399 ( -0.015 0.663 0.000) 0.663 12.675 ( -9.906 2.446 0.000) 10.204 12.765 ( -4.573 1.426 0.000) 4.790 13.034 ( -9.801 9.902 0.000) 13.932 13.190 ( -11.654 1.354 0.000) 11.732 13.258 ( -3.442 4.357 0.000) 5.552 13.377 ( 6.690 4.604 0.000) 8.121 13.511 ( -4.425 0.213 0.000) 4.430 13.665 ( -0.548 -1.419 0.000) 1.521 13.949 ( 1.298 -1.986 0.000) 2.373 13.956 ( 4.411 -3.914 0.000) 5.897 14.270 ( -1.508 -2.662 0.000) 3.059 14.300 ( -8.408 0.884 0.000) 8.454 14.405 ( 0.601 1.513 0.000) 1.628 14.549 ( -1.528 -2.746 0.000) 3.142 14.771 ( 12.233 -6.596 0.000) 13.898 14.803 ( 5.130 -4.326 0.000) 6.711 15.143 ( -7.953 1.754 0.000) 8.144 15.144 ( -4.335 1.413 0.000) 4.559 15.518 ( -0.816 1.464 0.000) 1.676 15.538 ( -1.075 0.547 0.000) 1.206 15.709 ( 0.822 4.931 0.000) 4.999 15.743 ( 1.034 2.215 0.000) 2.444 15.767 ( 2.847 4.099 0.000) 4.990 15.835 ( 2.334 0.158 0.000) 2.339 15.994 ( 8.773 1.160 0.000) 8.849 16.138 ( 3.147 -1.386 0.000) 3.439 16.194 ( 3.751 0.295 0.000) 3.763 16.289 ( 0.321 6.202 0.000) 6.210 16.319 ( 0.995 1.280 0.000) 1.621 16.327 ( -2.498 -7.497 0.000) 7.902 16.363 ( -0.102 3.278 0.000) 3.280 16.593 ( -6.434 -5.005 0.000) 8.152 16.626 ( 10.631 -0.300 0.000) 10.635 16.773 ( 1.086 -0.126 0.000) 1.093 17.746 ( 9.248 -0.342 0.000) 9.255 17.835 ( 3.059 0.434 0.000) 3.089 17.964 ( 8.611 -2.812 0.000) 9.059 18.017 ( -3.834 -2.113 0.000) 4.378 18.150 ( -5.136 -5.972 0.000) 7.877 18.164 ( -0.746 -3.169 0.000) 3.255 18.315 ( 3.961 0.797 0.000) 4.040 18.462 ( -2.742 -0.085 0.000) 2.743 18.536 ( 4.753 2.806 0.000) 5.520 18.715 ( 2.785 -2.224 0.000) 3.564 18.832 ( -1.628 -1.601 0.000) 2.283 18.843 ( -1.203 -2.309 0.000) 2.604 18.891 ( -2.701 -2.713 0.000) 3.828 18.990 ( -2.795 -8.659 0.000) 9.099 19.364 ( 1.823 -10.844 0.000) 10.996 19.436 ( -0.997 -9.360 0.000) 9.413 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -13.148 12.139 0.000) 17.895 1.316 ( 13.148 12.139 0.000) 17.895 1.485 ( -12.882 16.426 0.000) 20.875 1.485 ( 12.882 16.426 0.000) 20.875 2.151 ( -0.406 -1.785 0.000) 1.831 2.151 ( 0.406 -1.785 0.000) 1.831 2.233 ( -1.451 3.994 0.000) 4.249 2.233 ( 1.451 3.994 0.000) 4.249 2.351 ( -2.493 0.759 0.000) 2.606 2.351 ( 2.493 0.759 0.000) 2.606 2.376 ( -0.482 3.472 0.000) 3.505 2.376 ( 0.482 3.472 0.000) 3.505 2.413 ( -2.925 5.432 0.000) 6.169 2.413 ( 2.925 5.432 0.000) 6.169 2.553 ( -11.024 7.053 0.000) 13.087 2.553 ( 11.024 7.053 0.000) 13.087 2.765 ( -8.439 -3.335 0.000) 9.074 2.765 ( 8.439 -3.335 0.000) 9.074 2.854 ( -2.304 -0.872 0.000) 2.463 2.854 ( 2.304 -0.872 0.000) 2.463 2.964 ( -4.638 0.520 0.000) 4.667 2.964 ( 4.638 0.520 0.000) 4.667 3.074 ( -4.193 -8.804 0.000) 9.751 3.074 ( 4.193 -8.804 0.000) 9.751 3.139 ( -1.258 -7.070 0.000) 7.181 3.139 ( 1.258 -7.070 0.000) 7.181 3.227 ( -6.048 -3.370 0.000) 6.924 3.227 ( 6.048 -3.370 0.000) 6.924 3.257 ( -0.510 -4.397 0.000) 4.426 3.257 ( 0.510 -4.397 0.000) 4.426 3.323 ( -0.035 -5.073 0.000) 5.074 3.323 ( 0.035 -5.073 0.000) 5.074 3.454 ( -3.061 -3.056 0.000) 4.325 3.454 ( 3.061 -3.056 0.000) 4.325 3.583 ( -0.521 4.279 0.000) 4.310 3.583 ( 0.521 4.279 0.000) 4.310 3.590 ( -5.707 -0.884 0.000) 5.775 3.590 ( 5.707 -0.884 0.000) 5.775 3.599 ( -2.991 -1.481 0.000) 3.338 3.599 ( 2.991 -1.481 0.000) 3.338 3.794 ( -3.486 -3.609 0.000) 5.018 3.794 ( 3.486 -3.609 0.000) 5.018 3.925 ( -1.079 -1.900 0.000) 2.185 3.925 ( 1.079 -1.900 0.000) 2.185 3.983 ( -0.996 0.820 0.000) 1.291 3.983 ( 0.996 0.820 0.000) 1.291 4.081 ( -2.289 2.890 0.000) 3.687 4.081 ( 2.289 2.890 0.000) 3.687 4.128 ( -4.076 1.605 0.000) 4.380 4.128 ( 4.076 1.605 0.000) 4.380 4.228 ( -2.125 -1.149 0.000) 2.415 4.228 ( 2.125 -1.149 0.000) 2.415 4.412 ( -4.877 2.533 0.000) 5.495 4.412 ( 4.877 2.533 0.000) 5.495 4.601 ( -6.181 -0.134 0.000) 6.183 4.601 ( 6.181 -0.134 0.000) 6.183 4.699 ( -1.253 3.321 0.000) 3.549 4.699 ( 1.253 3.321 0.000) 3.549 4.863 ( -7.855 -0.638 0.000) 7.881 4.863 ( 7.855 -0.638 0.000) 7.881 5.012 ( -2.800 -2.134 0.000) 3.520 5.012 ( 2.800 -2.134 0.000) 3.520 5.119 ( -4.034 -1.921 0.000) 4.468 5.119 ( 4.034 -1.921 0.000) 4.468 5.243 ( -3.398 -6.647 0.000) 7.465 5.243 ( 3.398 -6.647 0.000) 7.465 5.357 ( -2.049 0.674 0.000) 2.157 5.357 ( 2.049 0.674 0.000) 2.157 5.732 ( -5.955 -9.578 0.000) 11.279 5.732 ( 5.955 -9.578 0.000) 11.279 5.842 ( -1.387 3.491 0.000) 3.757 5.842 ( 1.387 3.491 0.000) 3.757 7.880 ( -2.391 7.708 0.000) 8.070 7.880 ( 2.391 7.708 0.000) 8.070 8.039 ( -0.487 15.284 0.000) 15.291 8.039 ( 0.487 15.284 0.000) 15.291 8.240 ( -3.935 9.900 0.000) 10.654 8.240 ( 3.935 9.900 0.000) 10.654 8.373 ( -2.112 0.576 0.000) 2.189 8.373 ( 2.112 0.576 0.000) 2.189 8.583 ( -2.206 5.689 0.000) 6.101 8.583 ( 2.206 5.689 0.000) 6.101 8.674 ( -3.333 -0.135 0.000) 3.336 8.674 ( 3.333 -0.135 0.000) 3.336 8.795 ( -1.685 -2.405 0.000) 2.937 8.795 ( 1.685 -2.405 0.000) 2.937 8.850 ( -2.843 -4.326 0.000) 5.177 8.850 ( 2.843 -4.326 0.000) 5.177 9.029 ( -6.541 -1.977 0.000) 6.833 9.029 ( 6.541 -1.977 0.000) 6.833 9.251 ( -3.496 -3.140 0.000) 4.699 9.251 ( 3.496 -3.140 0.000) 4.699 9.415 ( -0.873 -2.227 0.000) 2.392 9.415 ( 0.873 -2.227 0.000) 2.392 9.466 ( -0.813 -6.765 0.000) 6.813 9.466 ( 0.813 -6.765 0.000) 6.813 9.747 ( -2.259 2.452 0.000) 3.334 9.747 ( 2.259 2.452 0.000) 3.334 9.763 ( -0.155 5.295 0.000) 5.297 9.763 ( 0.155 5.295 0.000) 5.297 9.958 ( -1.489 2.018 0.000) 2.508 9.958 ( 1.489 2.018 0.000) 2.508 10.112 ( -2.160 2.297 0.000) 3.153 10.112 ( 2.160 2.297 0.000) 3.153 10.164 ( -1.349 -2.455 0.000) 2.801 10.164 ( 1.349 -2.455 0.000) 2.801 10.224 ( -3.504 -5.371 0.000) 6.413 10.224 ( 3.504 -5.371 0.000) 6.413 10.505 ( -3.084 -2.066 0.000) 3.712 10.505 ( 3.084 -2.066 0.000) 3.712 10.552 ( -6.073 -0.066 0.000) 6.073 10.552 ( 6.073 -0.066 0.000) 6.073 10.736 ( -1.533 1.658 0.000) 2.258 10.736 ( 1.533 1.658 0.000) 2.258 10.915 ( -7.811 3.433 0.000) 8.532 10.915 ( 7.811 3.433 0.000) 8.532 11.192 ( -4.613 -3.358 0.000) 5.706 11.192 ( 4.613 -3.358 0.000) 5.706 11.324 ( -9.987 3.478 0.000) 10.575 11.324 ( 9.987 3.478 0.000) 10.575 11.521 ( -6.292 0.122 0.000) 6.294 11.521 ( 6.292 0.122 0.000) 6.294 11.900 ( -2.397 -0.656 0.000) 2.485 11.900 ( 2.397 -0.656 0.000) 2.485 12.007 ( -5.173 -2.071 0.000) 5.572 12.007 ( 5.173 -2.071 0.000) 5.572 12.133 ( -5.364 -2.634 0.000) 5.976 12.133 ( 5.364 -2.634 0.000) 5.976 12.378 ( -2.752 2.432 0.000) 3.673 12.378 ( 2.752 2.432 0.000) 3.673 12.650 ( -5.129 -1.836 0.000) 5.447 12.650 ( 5.129 -1.836 0.000) 5.447 12.982 ( -5.169 4.614 0.000) 6.929 12.982 ( 5.169 4.614 0.000) 6.929 13.367 ( -8.265 -2.271 0.000) 8.572 13.367 ( 8.265 -2.271 0.000) 8.572 13.554 ( -8.124 2.317 0.000) 8.448 13.554 ( 8.124 2.317 0.000) 8.448 14.083 ( -7.934 -1.671 0.000) 8.108 14.083 ( 7.934 -1.671 0.000) 8.108 14.115 ( -7.643 -1.788 0.000) 7.849 14.115 ( 7.643 -1.788 0.000) 7.849 14.483 ( -4.404 -1.437 0.000) 4.633 14.483 ( 4.404 -1.437 0.000) 4.633 14.911 ( -0.251 -2.672 0.000) 2.684 14.911 ( 0.251 -2.672 0.000) 2.684 15.035 ( -1.378 1.585 0.000) 2.100 15.035 ( 1.378 1.585 0.000) 2.100 15.516 ( -0.646 1.071 0.000) 1.251 15.516 ( 0.646 1.071 0.000) 1.251 15.728 ( -0.957 5.369 0.000) 5.453 15.728 ( 0.957 5.369 0.000) 5.453 15.830 ( -2.448 2.054 0.000) 3.195 15.830 ( 2.448 2.054 0.000) 3.195 16.153 ( -4.396 0.247 0.000) 4.403 16.153 ( 4.396 0.247 0.000) 4.403 16.259 ( -3.222 -4.583 0.000) 5.602 16.259 ( 3.222 -4.583 0.000) 5.602 16.295 ( -0.374 5.456 0.000) 5.468 16.295 ( 0.374 5.456 0.000) 5.468 16.452 ( -6.258 -2.046 0.000) 6.584 16.452 ( 6.258 -2.046 0.000) 6.584 16.768 ( -2.460 -1.642 0.000) 2.957 16.768 ( 2.460 -1.642 0.000) 2.957 17.913 ( -2.657 -1.739 0.000) 3.176 17.913 ( 2.657 -1.739 0.000) 3.176 17.971 ( -7.598 -2.627 0.000) 8.039 17.971 ( 7.598 -2.627 0.000) 8.039 18.126 ( -3.403 -5.457 0.000) 6.431 18.126 ( 3.403 -5.457 0.000) 6.431 18.394 ( -3.458 0.616 0.000) 3.513 18.394 ( 3.458 0.616 0.000) 3.513 18.680 ( -7.938 0.212 0.000) 7.940 18.680 ( 7.938 0.212 0.000) 7.940 18.808 ( -4.807 -3.607 0.000) 6.010 18.808 ( 4.807 -3.607 0.000) 6.010 18.914 ( -3.958 -6.092 0.000) 7.265 18.914 ( 3.958 -6.092 0.000) 7.265 19.406 ( -1.822 -9.616 0.000) 9.787 19.406 ( 1.822 -9.616 0.000) 9.787 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 17.460 0.000) 17.460 1.440 ( 0.000 20.294 0.000) 20.294 1.915 ( 0.000 -7.929 0.000) 7.929 1.937 ( 0.000 6.337 0.000) 6.337 2.013 ( 0.000 4.350 0.000) 4.350 2.145 ( 0.000 -8.560 0.000) 8.560 2.157 ( 0.000 5.405 0.000) 5.405 2.277 ( 0.000 2.485 0.000) 2.485 2.280 ( 0.000 -2.092 0.000) 2.092 2.305 ( 0.000 6.450 0.000) 6.450 2.341 ( 0.000 4.038 0.000) 4.038 2.363 ( 0.000 10.287 0.000) 10.287 2.447 ( 0.000 2.362 0.000) 2.362 2.469 ( 0.000 6.535 0.000) 6.535 2.528 ( 0.000 22.045 0.000) 22.045 2.586 ( 0.000 1.128 0.000) 1.128 2.797 ( 0.000 -7.597 0.000) 7.597 2.801 ( 0.000 -10.387 0.000) 10.387 2.802 ( 0.000 -7.926 0.000) 7.926 2.854 ( 0.000 -10.800 0.000) 10.800 2.874 ( 0.000 -0.795 0.000) 0.795 2.919 ( 0.000 -6.112 0.000) 6.112 2.935 ( 0.000 -5.095 0.000) 5.095 3.039 ( 0.000 -8.345 0.000) 8.345 3.055 ( 0.000 -4.069 0.000) 4.069 3.060 ( 0.000 5.991 0.000) 5.991 3.065 ( 0.000 -9.450 0.000) 9.450 3.112 ( 0.000 -5.891 0.000) 5.891 3.200 ( 0.000 -1.979 0.000) 1.979 3.217 ( 0.000 -2.463 0.000) 2.463 3.272 ( 0.000 4.970 0.000) 4.970 3.283 ( 0.000 0.051 0.000) 0.051 3.301 ( 0.000 -1.776 0.000) 1.776 3.452 ( 0.000 -0.547 0.000) 0.547 3.477 ( 0.000 0.175 0.000) 0.175 3.524 ( 0.000 -5.164 0.000) 5.164 3.594 ( 0.000 4.718 0.000) 4.718 3.594 ( 0.000 -1.378 0.000) 1.378 3.675 ( 0.000 -3.171 0.000) 3.171 3.733 ( 0.000 -4.085 0.000) 4.085 3.787 ( 0.000 -2.704 0.000) 2.704 3.840 ( 0.000 -6.155 0.000) 6.155 3.846 ( 0.000 -7.435 0.000) 7.435 3.899 ( 0.000 -2.172 0.000) 2.172 3.974 ( 0.000 13.428 0.000) 13.428 3.985 ( 0.000 2.955 0.000) 2.955 3.991 ( 0.000 1.830 0.000) 1.830 4.118 ( 0.000 -0.619 0.000) 0.619 4.166 ( 0.000 -2.127 0.000) 2.127 4.225 ( 0.000 6.218 0.000) 6.218 4.269 ( 0.000 -4.442 0.000) 4.442 4.273 ( 0.000 3.886 0.000) 3.886 4.365 ( 0.000 9.456 0.000) 9.456 4.423 ( 0.000 -6.719 0.000) 6.719 4.670 ( 0.000 4.490 0.000) 4.490 4.700 ( 0.000 -5.533 0.000) 5.533 4.751 ( 0.000 6.224 0.000) 6.224 4.771 ( 0.000 7.967 0.000) 7.967 4.792 ( 0.000 -3.759 0.000) 3.759 4.937 ( 0.000 -0.392 0.000) 0.392 4.979 ( 0.000 -1.593 0.000) 1.593 5.036 ( 0.000 -8.728 0.000) 8.728 5.070 ( 0.000 -8.834 0.000) 8.834 5.096 ( 0.000 3.135 0.000) 3.135 5.117 ( 0.000 -2.537 0.000) 2.537 5.171 ( 0.000 5.825 0.000) 5.825 5.234 ( 0.000 -1.516 0.000) 1.516 5.302 ( 0.000 0.408 0.000) 0.408 5.449 ( 0.000 -1.896 0.000) 1.896 5.653 ( 0.000 -9.223 0.000) 9.223 5.879 ( 0.000 3.431 0.000) 3.431 5.912 ( 0.000 1.757 0.000) 1.757 8.030 ( 0.000 6.479 0.000) 6.479 8.129 ( 0.000 8.387 0.000) 8.387 8.227 ( 0.000 -3.907 0.000) 3.907 8.310 ( 0.000 4.735 0.000) 4.735 8.323 ( 0.000 10.745 0.000) 10.745 8.376 ( 0.000 8.166 0.000) 8.166 8.455 ( 0.000 5.141 0.000) 5.141 8.529 ( 0.000 8.927 0.000) 8.927 8.569 ( 0.000 1.444 0.000) 1.444 8.601 ( 0.000 -3.871 0.000) 3.871 8.631 ( 0.000 2.056 0.000) 2.056 8.693 ( 0.000 -5.952 0.000) 5.952 8.713 ( 0.000 -0.285 0.000) 0.285 8.745 ( 0.000 9.045 0.000) 9.045 8.790 ( 0.000 -3.850 0.000) 3.850 8.796 ( 0.000 6.299 0.000) 6.299 8.941 ( 0.000 5.119 0.000) 5.119 9.042 ( 0.000 -7.304 0.000) 7.304 9.188 ( 0.000 0.949 0.000) 0.949 9.267 ( 0.000 -0.809 0.000) 0.809 9.318 ( 0.000 -3.675 0.000) 3.675 9.363 ( 0.000 -9.744 0.000) 9.744 9.393 ( 0.000 -6.483 0.000) 6.483 9.410 ( 0.000 -8.857 0.000) 8.857 9.787 ( 0.000 3.201 0.000) 3.201 9.838 ( 0.000 -3.732 0.000) 3.732 9.849 ( 0.000 0.878 0.000) 0.878 9.855 ( 0.000 4.762 0.000) 4.762 9.936 ( 0.000 3.070 0.000) 3.070 9.936 ( 0.000 2.366 0.000) 2.366 10.091 ( 0.000 -3.366 0.000) 3.366 10.097 ( 0.000 -2.359 0.000) 2.359 10.103 ( 0.000 1.593 0.000) 1.593 10.154 ( 0.000 -7.063 0.000) 7.063 10.307 ( 0.000 -7.496 0.000) 7.496 10.365 ( 0.000 -8.468 0.000) 8.468 10.383 ( 0.000 7.580 0.000) 7.580 10.505 ( 0.000 11.409 0.000) 11.409 10.565 ( 0.000 1.392 0.000) 1.392 10.567 ( 0.000 3.070 0.000) 3.070 10.734 ( 0.000 0.672 0.000) 0.672 10.802 ( 0.000 9.606 0.000) 9.606 10.841 ( 0.000 -3.057 0.000) 3.057 11.091 ( 0.000 -10.825 0.000) 10.825 11.100 ( 0.000 -9.988 0.000) 9.988 11.127 ( 0.000 -0.347 0.000) 0.347 11.138 ( 0.000 0.908 0.000) 0.908 11.291 ( 0.000 -5.756 0.000) 5.756 11.425 ( 0.000 -3.081 0.000) 3.081 11.571 ( 0.000 0.802 0.000) 0.802 11.580 ( 0.000 -5.842 0.000) 5.842 11.659 ( 0.000 -2.513 0.000) 2.513 12.020 ( 0.000 2.989 0.000) 2.989 12.085 ( 0.000 -1.163 0.000) 1.163 12.111 ( 0.000 -2.038 0.000) 2.038 12.113 ( 0.000 -1.511 0.000) 1.511 12.286 ( 0.000 2.591 0.000) 2.591 12.375 ( 0.000 -1.522 0.000) 1.522 12.846 ( 0.000 1.648 0.000) 1.648 12.865 ( 0.000 1.367 0.000) 1.367 13.274 ( 0.000 5.007 0.000) 5.007 13.303 ( 0.000 4.953 0.000) 4.953 13.426 ( 0.000 1.411 0.000) 1.411 13.505 ( 0.000 -5.496 0.000) 5.496 13.569 ( 0.000 1.624 0.000) 1.624 13.792 ( 0.000 -5.598 0.000) 5.598 13.932 ( 0.000 -0.195 0.000) 0.195 13.940 ( 0.000 -0.645 0.000) 0.645 14.186 ( 0.000 3.303 0.000) 3.303 14.291 ( 0.000 0.271 0.000) 0.271 14.440 ( 0.000 1.136 0.000) 1.136 14.509 ( 0.000 -0.022 0.000) 0.022 14.511 ( 0.000 -2.225 0.000) 2.225 14.602 ( 0.000 -5.708 0.000) 5.708 15.202 ( 0.000 1.470 0.000) 1.470 15.268 ( 0.000 -0.912 0.000) 0.912 15.562 ( 0.000 1.051 0.000) 1.051 15.563 ( 0.000 0.708 0.000) 0.708 15.721 ( 0.000 4.417 0.000) 4.417 15.792 ( 0.000 2.656 0.000) 2.656 15.813 ( 0.000 5.454 0.000) 5.454 15.906 ( 0.000 1.549 0.000) 1.549 15.914 ( 0.000 3.012 0.000) 3.012 16.058 ( 0.000 -5.343 0.000) 5.343 16.077 ( 0.000 -1.584 0.000) 1.584 16.177 ( 0.000 -7.387 0.000) 7.387 16.370 ( 0.000 3.747 0.000) 3.747 16.399 ( 0.000 3.463 0.000) 3.463 16.450 ( 0.000 2.670 0.000) 2.670 16.557 ( 0.000 -3.873 0.000) 3.873 16.622 ( 0.000 6.968 0.000) 6.968 16.767 ( 0.000 -0.090 0.000) 0.090 17.705 ( 0.000 4.332 0.000) 4.332 17.828 ( 0.000 0.823 0.000) 0.823 17.890 ( 0.000 2.316 0.000) 2.316 18.002 ( 0.000 -3.003 0.000) 3.003 18.090 ( 0.000 -4.492 0.000) 4.492 18.119 ( 0.000 -3.103 0.000) 3.103 18.291 ( 0.000 2.544 0.000) 2.544 18.452 ( 0.000 -3.666 0.000) 3.666 18.596 ( 0.000 6.420 0.000) 6.420 18.664 ( 0.000 -0.467 0.000) 0.467 18.805 ( 0.000 0.307 0.000) 0.307 18.845 ( 0.000 -6.781 0.000) 6.781 18.868 ( 0.000 -2.472 0.000) 2.472 18.914 ( 0.000 3.569 0.000) 3.569 19.078 ( 0.000 -12.776 0.000) 12.776 19.237 ( 0.000 -10.216 0.000) 10.216 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.589 14.884 0.000) 15.311 1.579 ( 9.926 17.201 0.000) 19.860 1.762 ( -8.588 2.661 0.000) 8.990 2.016 ( -5.995 7.018 0.000) 9.230 2.063 ( 1.321 -0.751 0.000) 1.520 2.100 ( 7.688 6.492 0.000) 10.062 2.213 ( -1.402 0.138 0.000) 1.408 2.240 ( 6.663 4.507 0.000) 8.045 2.310 ( 4.591 -5.921 0.000) 7.492 2.334 ( 1.767 5.651 0.000) 5.921 2.400 ( 3.004 4.201 0.000) 5.165 2.411 ( 1.117 4.005 0.000) 4.158 2.490 ( 3.542 1.006 0.000) 3.682 2.562 ( 2.414 13.409 0.000) 13.624 2.584 ( 10.539 2.474 0.000) 10.825 2.602 ( -0.642 7.283 0.000) 7.312 2.734 ( -5.822 -1.837 0.000) 6.105 2.775 ( -1.744 -5.425 0.000) 5.699 2.820 ( 0.521 -3.824 0.000) 3.859 2.854 ( 2.329 -7.877 0.000) 8.214 2.867 ( -2.659 -7.087 0.000) 7.570 2.922 ( -9.047 -3.559 0.000) 9.722 2.943 ( 0.223 -7.591 0.000) 7.594 2.970 ( 1.101 -3.123 0.000) 3.312 3.000 ( 3.274 -4.588 0.000) 5.636 3.005 ( -2.737 -6.015 0.000) 6.609 3.047 ( -2.606 -8.273 0.000) 8.674 3.078 ( -1.238 -5.737 0.000) 5.869 3.183 ( -4.318 -5.194 0.000) 6.755 3.234 ( -2.560 -5.860 0.000) 6.395 3.283 ( 1.847 4.008 0.000) 4.413 3.337 ( 4.215 1.092 0.000) 4.354 3.404 ( -5.663 -1.094 0.000) 5.768 3.407 ( 6.258 -1.208 0.000) 6.373 3.489 ( 1.448 0.302 0.000) 1.479 3.512 ( 0.716 -1.492 0.000) 1.655 3.541 ( -3.281 -1.449 0.000) 3.586 3.593 ( 1.352 -2.146 0.000) 2.537 3.675 ( -1.944 -2.681 0.000) 3.311 3.770 ( 0.509 -1.497 0.000) 1.581 3.780 ( 5.481 -1.878 0.000) 5.794 3.792 ( -3.503 -5.192 0.000) 6.263 3.852 ( -1.698 4.693 0.000) 4.991 3.888 ( -5.025 11.904 0.000) 12.921 3.952 ( 5.550 0.952 0.000) 5.631 4.027 ( 3.162 1.408 0.000) 3.462 4.061 ( 4.316 -0.744 0.000) 4.380 4.137 ( 1.869 0.418 0.000) 1.916 4.192 ( -2.306 -4.046 0.000) 4.657 4.194 ( -0.464 3.129 0.000) 3.163 4.285 ( -2.264 2.943 0.000) 3.713 4.292 ( 1.343 -0.284 0.000) 1.372 4.387 ( 1.178 9.031 0.000) 9.107 4.495 ( 3.546 -1.769 0.000) 3.962 4.496 ( -3.784 3.943 0.000) 5.465 4.641 ( -4.350 -5.019 0.000) 6.641 4.759 ( 0.234 4.157 0.000) 4.163 4.772 ( -1.183 -0.536 0.000) 1.299 4.827 ( 0.957 6.199 0.000) 6.272 4.921 ( -4.396 -4.562 0.000) 6.335 4.927 ( -1.860 -8.763 0.000) 8.958 5.014 ( -1.383 -3.515 0.000) 3.777 5.014 ( -3.123 -2.498 0.000) 3.999 5.077 ( -1.727 -8.677 0.000) 8.847 5.105 ( 1.169 1.389 0.000) 1.815 5.202 ( -2.305 -1.324 0.000) 2.658 5.295 ( 7.519 4.008 0.000) 8.520 5.364 ( 3.399 1.165 0.000) 3.593 5.494 ( 3.149 -3.335 0.000) 4.587 5.624 ( -2.598 -8.481 0.000) 8.870 5.887 ( 0.811 3.105 0.000) 3.209 5.914 ( 0.057 1.864 0.000) 1.865 8.015 ( -0.893 5.836 0.000) 5.903 8.070 ( -3.520 5.009 0.000) 6.122 8.286 ( 3.277 2.903 0.000) 4.378 8.301 ( -0.113 6.362 0.000) 6.363 8.308 ( -0.314 5.886 0.000) 5.894 8.433 ( 3.307 9.905 0.000) 10.443 8.448 ( -1.641 3.962 0.000) 4.288 8.495 ( -2.235 6.955 0.000) 7.305 8.588 ( 4.170 2.438 0.000) 4.830 8.658 ( 2.087 2.513 0.000) 3.267 8.669 ( 3.385 -1.456 0.000) 3.685 8.712 ( 0.689 1.263 0.000) 1.438 8.717 ( 1.849 -5.783 0.000) 6.071 8.765 ( -1.543 0.577 0.000) 1.647 8.774 ( 1.610 6.825 0.000) 7.012 8.805 ( -0.090 0.903 0.000) 0.907 8.941 ( -0.119 3.953 0.000) 3.955 9.055 ( -0.637 -7.484 0.000) 7.511 9.176 ( -0.333 0.146 0.000) 0.363 9.204 ( -2.956 -0.980 0.000) 3.114 9.322 ( 0.339 -5.215 0.000) 5.226 9.329 ( -2.625 -7.521 0.000) 7.966 9.346 ( -2.906 -7.047 0.000) 7.623 9.414 ( -1.011 -6.993 0.000) 7.065 9.801 ( -2.496 2.692 0.000) 3.671 9.805 ( 0.978 2.119 0.000) 2.334 9.856 ( 0.205 -0.336 0.000) 0.393 9.882 ( 1.726 4.444 0.000) 4.767 9.901 ( -1.161 -0.346 0.000) 1.211 9.936 ( -0.765 -0.992 0.000) 1.253 10.056 ( -2.487 -4.039 0.000) 4.743 10.068 ( -1.493 -2.887 0.000) 3.250 10.124 ( -2.038 -6.365 0.000) 6.683 10.153 ( 2.451 0.149 0.000) 2.456 10.215 ( -4.660 -2.491 0.000) 5.284 10.405 ( 2.339 5.377 0.000) 5.863 10.420 ( 3.036 -5.306 0.000) 6.113 10.435 ( -4.763 9.528 0.000) 10.653 10.544 ( -1.189 1.511 0.000) 1.922 10.657 ( 5.386 -2.076 0.000) 5.772 10.710 ( -3.495 2.629 0.000) 4.374 10.771 ( -2.417 3.167 0.000) 3.984 10.813 ( -1.726 -3.110 0.000) 3.556 11.016 ( -4.800 -5.708 0.000) 7.458 11.117 ( 1.973 -5.674 0.000) 6.008 11.128 ( 0.245 0.966 0.000) 0.997 11.198 ( 9.896 4.571 0.000) 10.901 11.418 ( 3.056 -3.813 0.000) 4.886 11.443 ( 1.454 -0.275 0.000) 1.480 11.639 ( 6.462 -6.593 0.000) 9.231 11.718 ( 10.838 -0.891 0.000) 10.874 11.777 ( 10.126 -2.998 0.000) 10.561 11.952 ( -5.711 1.673 0.000) 5.951 12.014 ( -4.635 -1.814 0.000) 4.977 12.122 ( -0.931 -0.032 0.000) 0.931 12.148 ( 0.279 -1.186 0.000) 1.218 12.332 ( 4.265 2.144 0.000) 4.773 12.395 ( 1.890 -0.804 0.000) 2.054 12.724 ( -10.167 2.277 0.000) 10.418 12.783 ( -7.281 0.046 0.000) 7.281 13.173 ( -4.061 3.786 0.000) 5.552 13.213 ( -10.660 0.734 0.000) 10.685 13.354 ( -9.314 4.198 0.000) 10.216 13.492 ( -6.761 -2.090 0.000) 7.077 13.512 ( -3.805 7.937 0.000) 8.802 13.663 ( 2.742 1.138 0.000) 2.969 13.871 ( 6.603 -4.019 0.000) 7.730 13.881 ( 1.167 -4.422 0.000) 4.573 14.231 ( -5.621 -0.693 0.000) 5.664 14.288 ( -7.740 -1.882 0.000) 7.966 14.435 ( 0.394 1.315 0.000) 1.373 14.494 ( -0.648 -2.150 0.000) 2.246 14.686 ( 13.337 -1.626 0.000) 13.436 14.727 ( 8.951 -2.880 0.000) 9.403 15.162 ( -4.438 0.393 0.000) 4.456 15.164 ( -7.364 0.412 0.000) 7.376 15.548 ( -0.856 1.181 0.000) 1.459 15.553 ( -0.840 0.736 0.000) 1.117 15.772 ( 3.746 1.955 0.000) 4.225 15.800 ( 1.746 3.095 0.000) 3.553 15.863 ( 0.850 4.898 0.000) 4.971 15.885 ( -1.814 2.905 0.000) 3.425 16.002 ( 8.333 -0.211 0.000) 8.336 16.113 ( 2.525 -1.262 0.000) 2.823 16.140 ( 5.295 -4.563 0.000) 6.990 16.172 ( -0.250 -5.714 0.000) 5.719 16.365 ( -1.257 2.442 0.000) 2.747 16.395 ( -0.809 2.370 0.000) 2.504 16.448 ( 0.579 3.974 0.000) 4.015 16.525 ( -2.516 -1.277 0.000) 2.822 16.681 ( 4.698 3.992 0.000) 6.165 16.775 ( 0.461 -0.159 0.000) 0.488 17.761 ( 4.847 1.833 0.000) 5.183 17.843 ( 1.538 0.046 0.000) 1.538 17.941 ( 4.215 -0.017 0.000) 4.215 17.974 ( -2.405 -1.852 0.000) 3.036 18.038 ( -4.600 -3.962 0.000) 6.071 18.093 ( -1.970 -3.586 0.000) 4.091 18.336 ( 3.244 1.464 0.000) 3.559 18.436 ( -1.332 -2.344 0.000) 2.696 18.621 ( 2.520 5.145 0.000) 5.729 18.679 ( 1.365 -1.019 0.000) 1.703 18.804 ( -3.085 -4.879 0.000) 5.772 18.811 ( 0.682 -0.413 0.000) 0.797 18.837 ( -5.515 1.266 0.000) 5.658 18.863 ( -0.814 -3.151 0.000) 3.255 19.136 ( 3.708 -9.770 0.000) 10.450 19.231 ( -0.677 -9.736 0.000) 9.760 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -7.553 9.213 0.000) 11.913 1.549 ( 7.553 9.213 0.000) 11.913 1.828 ( -9.572 15.475 0.000) 18.196 1.828 ( 9.572 15.475 0.000) 18.196 2.104 ( -2.680 -2.342 0.000) 3.559 2.104 ( 2.680 -2.342 0.000) 3.559 2.329 ( -1.560 2.026 0.000) 2.557 2.329 ( 1.560 2.026 0.000) 2.557 2.396 ( -3.334 3.416 0.000) 4.773 2.396 ( 3.334 3.416 0.000) 4.773 2.438 ( -11.289 5.231 0.000) 12.442 2.438 ( 11.289 5.231 0.000) 12.442 2.517 ( -9.803 4.475 0.000) 10.776 2.517 ( 9.803 4.475 0.000) 10.776 2.652 ( -8.383 -1.468 0.000) 8.510 2.652 ( 8.383 -1.468 0.000) 8.510 2.711 ( -6.839 1.098 0.000) 6.926 2.711 ( 6.839 1.098 0.000) 6.926 2.819 ( -4.985 -4.702 0.000) 6.853 2.819 ( 4.985 -4.702 0.000) 6.853 2.873 ( -1.448 -3.955 0.000) 4.212 2.873 ( 1.448 -3.955 0.000) 4.212 2.941 ( -1.670 -6.907 0.000) 7.106 2.941 ( 1.670 -6.907 0.000) 7.106 3.012 ( -6.503 -6.926 0.000) 9.500 3.012 ( 6.503 -6.926 0.000) 9.500 3.060 ( -3.040 -4.370 0.000) 5.323 3.060 ( 3.040 -4.370 0.000) 5.323 3.131 ( -6.289 -7.731 0.000) 9.966 3.131 ( 6.289 -7.731 0.000) 9.966 3.314 ( -1.938 2.274 0.000) 2.987 3.314 ( 1.938 2.274 0.000) 2.987 3.413 ( -3.293 -0.444 0.000) 3.323 3.413 ( 3.293 -0.444 0.000) 3.323 3.532 ( -0.594 -4.077 0.000) 4.120 3.532 ( 0.594 -4.077 0.000) 4.120 3.576 ( -5.073 0.080 0.000) 5.074 3.576 ( 5.073 0.080 0.000) 5.074 3.695 ( -4.823 -3.383 0.000) 5.892 3.695 ( 4.823 -3.383 0.000) 5.892 3.774 ( -3.214 7.618 0.000) 8.269 3.774 ( 3.214 7.618 0.000) 8.269 3.890 ( -0.382 -0.192 0.000) 0.428 3.890 ( 0.382 -0.192 0.000) 0.428 4.064 ( -3.501 4.212 0.000) 5.477 4.064 ( 3.501 4.212 0.000) 5.477 4.091 ( -4.921 2.264 0.000) 5.417 4.091 ( 4.921 2.264 0.000) 5.417 4.201 ( -0.553 -0.596 0.000) 0.813 4.201 ( 0.553 -0.596 0.000) 0.813 4.229 ( -0.827 4.330 0.000) 4.408 4.229 ( 0.827 4.330 0.000) 4.408 4.460 ( -5.472 1.459 0.000) 5.664 4.460 ( 5.472 1.459 0.000) 5.664 4.571 ( -3.529 -2.176 0.000) 4.145 4.571 ( 3.529 -2.176 0.000) 4.145 4.759 ( -0.066 2.206 0.000) 2.207 4.759 ( 0.066 2.206 0.000) 2.207 4.855 ( -1.787 -3.483 0.000) 3.915 4.855 ( 1.787 -3.483 0.000) 3.915 4.911 ( -2.797 -3.699 0.000) 4.638 4.911 ( 2.797 -3.699 0.000) 4.638 5.039 ( -1.563 -6.037 0.000) 6.236 5.039 ( 1.563 -6.037 0.000) 6.236 5.150 ( -2.640 -1.021 0.000) 2.831 5.150 ( 2.640 -1.021 0.000) 2.831 5.397 ( -1.256 2.042 0.000) 2.397 5.397 ( 1.256 2.042 0.000) 2.397 5.558 ( -3.076 -6.190 0.000) 6.912 5.558 ( 3.076 -6.190 0.000) 6.912 5.907 ( -0.779 2.370 0.000) 2.495 5.907 ( 0.779 2.370 0.000) 2.495 8.016 ( -1.308 4.895 0.000) 5.067 8.016 ( 1.308 4.895 0.000) 5.067 8.297 ( -0.513 7.939 0.000) 7.956 8.297 ( 0.513 7.939 0.000) 7.956 8.375 ( -4.011 1.129 0.000) 4.167 8.375 ( 4.011 1.129 0.000) 4.167 8.479 ( -0.894 10.483 0.000) 10.521 8.479 ( 0.894 10.483 0.000) 10.521 8.670 ( -2.163 0.467 0.000) 2.213 8.670 ( 2.163 0.467 0.000) 2.213 8.727 ( -1.834 1.937 0.000) 2.667 8.727 ( 1.834 1.937 0.000) 2.667 8.737 ( -0.986 -1.407 0.000) 1.718 8.737 ( 0.986 -1.407 0.000) 1.718 8.793 ( -0.478 3.399 0.000) 3.432 8.793 ( 0.478 3.399 0.000) 3.432 8.972 ( -4.139 -2.760 0.000) 4.975 8.972 ( 4.139 -2.760 0.000) 4.975 9.198 ( -1.524 -1.503 0.000) 2.140 9.198 ( 1.524 -1.503 0.000) 2.140 9.282 ( -2.019 -7.947 0.000) 8.200 9.282 ( 2.019 -7.947 0.000) 8.200 9.369 ( -2.728 -5.154 0.000) 5.831 9.369 ( 2.728 -5.154 0.000) 5.831 9.784 ( -1.126 2.089 0.000) 2.373 9.784 ( 1.126 2.089 0.000) 2.373 9.874 ( -1.914 4.604 0.000) 4.985 9.874 ( 1.914 4.604 0.000) 4.985 9.919 ( -1.113 -4.109 0.000) 4.257 9.919 ( 1.113 -4.109 0.000) 4.257 10.045 ( -1.188 -5.099 0.000) 5.235 10.045 ( 1.188 -5.099 0.000) 5.235 10.098 ( -1.025 -3.816 0.000) 3.951 10.098 ( 1.025 -3.816 0.000) 3.951 10.299 ( -6.906 7.936 0.000) 10.520 10.299 ( 6.906 7.936 0.000) 10.520 10.459 ( -0.498 -1.878 0.000) 1.943 10.459 ( 0.498 -1.878 0.000) 1.943 10.565 ( -5.092 2.084 0.000) 5.502 10.565 ( 5.092 2.084 0.000) 5.502 10.747 ( -0.137 -0.541 0.000) 0.558 10.747 ( 0.137 -0.541 0.000) 0.558 10.871 ( -7.658 -6.282 0.000) 9.905 10.871 ( 7.658 -6.282 0.000) 9.905 11.139 ( -0.324 -0.566 0.000) 0.652 11.139 ( 0.324 -0.566 0.000) 0.652 11.446 ( -0.608 2.977 0.000) 3.038 11.446 ( 0.608 2.977 0.000) 3.038 11.543 ( -15.653 3.780 0.000) 16.103 11.543 ( 15.653 3.780 0.000) 16.103 11.889 ( -3.455 -0.740 0.000) 3.534 11.889 ( 3.455 -0.740 0.000) 3.534 11.958 ( -6.265 -2.028 0.000) 6.585 11.958 ( 6.265 -2.028 0.000) 6.585 12.082 ( -5.807 -2.040 0.000) 6.155 12.082 ( 5.807 -2.040 0.000) 6.155 12.422 ( -2.096 1.602 0.000) 2.638 12.422 ( 2.096 1.602 0.000) 2.638 12.619 ( -4.289 -1.125 0.000) 4.434 12.619 ( 4.289 -1.125 0.000) 4.434 13.086 ( -0.210 5.080 0.000) 5.085 13.086 ( 0.210 5.080 0.000) 5.085 13.310 ( -6.782 -3.114 0.000) 7.462 13.310 ( 6.782 -3.114 0.000) 7.462 13.611 ( -5.575 2.844 0.000) 6.258 13.611 ( 5.575 2.844 0.000) 6.258 14.001 ( -0.920 -4.421 0.000) 4.516 14.001 ( 0.920 -4.421 0.000) 4.516 14.110 ( -1.222 0.125 0.000) 1.229 14.110 ( 1.222 0.125 0.000) 1.229 14.463 ( -1.840 -0.538 0.000) 1.917 14.463 ( 1.840 -0.538 0.000) 1.917 14.864 ( -0.579 -1.618 0.000) 1.718 14.864 ( 0.579 -1.618 0.000) 1.718 15.059 ( -1.081 0.658 0.000) 1.265 15.059 ( 1.081 0.658 0.000) 1.265 15.540 ( -0.174 1.029 0.000) 1.043 15.540 ( 0.174 1.029 0.000) 1.043 15.837 ( -0.289 4.776 0.000) 4.784 15.837 ( 0.289 4.776 0.000) 4.784 15.850 ( -0.062 0.111 0.000) 0.127 15.850 ( 0.062 0.111 0.000) 0.127 16.134 ( -1.398 -0.855 0.000) 1.639 16.134 ( 1.398 -0.855 0.000) 1.639 16.189 ( -2.058 -2.992 0.000) 3.632 16.189 ( 2.058 -2.992 0.000) 3.632 16.353 ( -2.009 0.608 0.000) 2.099 16.353 ( 2.009 0.608 0.000) 2.099 16.477 ( -1.818 3.352 0.000) 3.814 16.477 ( 1.818 3.352 0.000) 3.814 16.764 ( -2.138 0.605 0.000) 2.222 16.764 ( 2.138 0.605 0.000) 2.222 17.868 ( -2.139 -2.174 0.000) 3.050 17.868 ( 2.139 -2.174 0.000) 3.050 17.935 ( -1.618 -0.788 0.000) 1.799 17.935 ( 1.618 -0.788 0.000) 1.799 18.034 ( -3.757 -3.170 0.000) 4.916 18.034 ( 3.757 -3.170 0.000) 4.916 18.398 ( -2.306 -0.216 0.000) 2.317 18.398 ( 2.306 -0.216 0.000) 2.317 18.700 ( -3.107 0.500 0.000) 3.147 18.700 ( 3.107 0.500 0.000) 3.147 18.742 ( -0.807 -0.716 0.000) 1.079 18.742 ( 0.807 -0.716 0.000) 1.079 18.836 ( -1.511 -2.085 0.000) 2.574 18.836 ( 1.511 -2.085 0.000) 2.574 19.201 ( -2.220 -9.096 0.000) 9.364 19.201 ( 2.220 -9.096 0.000) 9.364 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 -11.245 0.000) 11.245 1.699 ( 0.000 11.245 0.000) 11.245 1.842 ( 0.000 -16.409 0.000) 16.409 1.842 ( 0.000 16.409 0.000) 16.409 2.044 ( 0.000 -2.647 0.000) 2.647 2.044 ( 0.000 2.647 0.000) 2.647 2.211 ( 0.000 -2.628 0.000) 2.628 2.211 ( 0.000 2.628 0.000) 2.628 2.397 ( 0.000 -2.181 0.000) 2.181 2.397 ( 0.000 2.181 0.000) 2.181 2.459 ( 0.000 -8.535 0.000) 8.535 2.459 ( 0.000 8.535 0.000) 8.535 2.579 ( 0.000 -9.770 0.000) 9.770 2.579 ( 0.000 9.770 0.000) 9.770 2.604 ( 0.000 -3.486 0.000) 3.486 2.604 ( 0.000 3.486 0.000) 3.486 2.670 ( 0.000 -8.663 0.000) 8.663 2.670 ( 0.000 8.663 0.000) 8.663 2.695 ( 0.000 -1.376 0.000) 1.376 2.695 ( 0.000 1.376 0.000) 1.376 2.895 ( 0.000 -2.235 0.000) 2.235 2.895 ( 0.000 2.235 0.000) 2.235 2.963 ( 0.000 -7.266 0.000) 7.266 2.963 ( 0.000 7.266 0.000) 7.266 2.979 ( 0.000 -10.425 0.000) 10.425 2.979 ( 0.000 10.425 0.000) 10.425 3.027 ( 0.000 -7.884 0.000) 7.884 3.027 ( 0.000 7.884 0.000) 7.884 3.171 ( 0.000 -3.188 0.000) 3.188 3.171 ( 0.000 3.188 0.000) 3.188 3.291 ( 0.000 -0.176 0.000) 0.176 3.291 ( 0.000 0.176 0.000) 0.176 3.395 ( 0.000 -6.356 0.000) 6.356 3.395 ( 0.000 6.356 0.000) 6.356 3.452 ( 0.000 -1.118 0.000) 1.118 3.452 ( 0.000 1.118 0.000) 1.118 3.663 ( 0.000 -5.183 0.000) 5.183 3.663 ( 0.000 5.183 0.000) 5.183 3.671 ( 0.000 -2.087 0.000) 2.087 3.671 ( 0.000 2.087 0.000) 2.087 3.747 ( 0.000 -5.881 0.000) 5.881 3.747 ( 0.000 5.881 0.000) 5.881 3.759 ( 0.000 -0.918 0.000) 0.918 3.759 ( 0.000 0.918 0.000) 0.918 4.053 ( 0.000 -3.580 0.000) 3.580 4.053 ( 0.000 3.580 0.000) 3.580 4.143 ( 0.000 -4.663 0.000) 4.663 4.143 ( 0.000 4.663 0.000) 4.663 4.193 ( 0.000 -2.833 0.000) 2.833 4.193 ( 0.000 2.833 0.000) 2.833 4.308 ( 0.000 -0.894 0.000) 0.894 4.308 ( 0.000 0.894 0.000) 0.894 4.424 ( 0.000 -9.411 0.000) 9.411 4.424 ( 0.000 9.411 0.000) 9.411 4.588 ( 0.000 -2.762 0.000) 2.762 4.588 ( 0.000 2.762 0.000) 2.762 4.865 ( 0.000 -7.719 0.000) 7.719 4.865 ( 0.000 7.719 0.000) 7.719 4.870 ( 0.000 -4.462 0.000) 4.462 4.870 ( 0.000 4.462 0.000) 4.462 4.912 ( 0.000 -4.597 0.000) 4.597 4.912 ( 0.000 4.597 0.000) 4.597 5.034 ( 0.000 -5.925 0.000) 5.925 5.034 ( 0.000 5.925 0.000) 5.925 5.177 ( 0.000 -3.779 0.000) 3.779 5.177 ( 0.000 3.779 0.000) 3.779 5.271 ( 0.000 -3.331 0.000) 3.331 5.271 ( 0.000 3.331 0.000) 3.331 5.495 ( 0.000 -5.738 0.000) 5.738 5.495 ( 0.000 5.738 0.000) 5.738 5.924 ( 0.000 -0.775 0.000) 0.775 5.924 ( 0.000 0.775 0.000) 0.775 8.138 ( 0.000 -4.538 0.000) 4.538 8.138 ( 0.000 4.538 0.000) 4.538 8.278 ( 0.000 -5.359 0.000) 5.359 8.278 ( 0.000 5.359 0.000) 5.359 8.495 ( 0.000 -4.307 0.000) 4.307 8.495 ( 0.000 4.307 0.000) 4.307 8.495 ( 0.000 -5.176 0.000) 5.176 8.495 ( 0.000 5.176 0.000) 5.176 8.572 ( 0.000 -5.031 0.000) 5.031 8.572 ( 0.000 5.031 0.000) 5.031 8.660 ( 0.000 -0.220 0.000) 0.220 8.660 ( 0.000 0.220 0.000) 0.220 8.759 ( 0.000 -0.341 0.000) 0.341 8.759 ( 0.000 0.341 0.000) 0.341 8.900 ( 0.000 -1.275 0.000) 1.275 8.900 ( 0.000 1.275 0.000) 1.275 9.023 ( 0.000 -2.335 0.000) 2.335 9.023 ( 0.000 2.335 0.000) 2.335 9.208 ( 0.000 -2.350 0.000) 2.350 9.208 ( 0.000 2.350 0.000) 2.350 9.214 ( 0.000 -1.176 0.000) 1.176 9.214 ( 0.000 1.176 0.000) 1.176 9.294 ( 0.000 -1.780 0.000) 1.780 9.294 ( 0.000 1.780 0.000) 1.780 9.831 ( 0.000 -1.929 0.000) 1.929 9.831 ( 0.000 1.929 0.000) 1.929 9.841 ( 0.000 -1.718 0.000) 1.718 9.841 ( 0.000 1.718 0.000) 1.718 10.022 ( 0.000 -5.254 0.000) 5.254 10.022 ( 0.000 5.254 0.000) 5.254 10.062 ( 0.000 -0.528 0.000) 0.528 10.062 ( 0.000 0.528 0.000) 0.528 10.098 ( 0.000 -7.246 0.000) 7.246 10.098 ( 0.000 7.246 0.000) 7.246 10.218 ( 0.000 -4.133 0.000) 4.133 10.218 ( 0.000 4.133 0.000) 4.133 10.527 ( 0.000 -5.588 0.000) 5.588 10.527 ( 0.000 5.588 0.000) 5.588 10.608 ( 0.000 -1.234 0.000) 1.234 10.608 ( 0.000 1.234 0.000) 1.234 10.848 ( 0.000 -8.221 0.000) 8.221 10.848 ( 0.000 8.221 0.000) 8.221 10.900 ( 0.000 -8.435 0.000) 8.435 10.900 ( 0.000 8.435 0.000) 8.435 11.025 ( 0.000 -7.491 0.000) 7.491 11.025 ( 0.000 7.491 0.000) 7.491 11.186 ( 0.000 -3.899 0.000) 3.899 11.186 ( 0.000 3.899 0.000) 3.899 11.459 ( 0.000 -5.039 0.000) 5.039 11.459 ( 0.000 5.039 0.000) 5.039 11.607 ( 0.000 -2.323 0.000) 2.323 11.607 ( 0.000 2.323 0.000) 2.323 12.073 ( 0.000 -2.234 0.000) 2.234 12.073 ( 0.000 2.234 0.000) 2.234 12.080 ( 0.000 -0.733 0.000) 0.733 12.080 ( 0.000 0.733 0.000) 0.733 12.336 ( 0.000 -2.201 0.000) 2.201 12.336 ( 0.000 2.201 0.000) 2.201 12.872 ( 0.000 -0.615 0.000) 0.615 12.872 ( 0.000 0.615 0.000) 0.615 13.379 ( 0.000 -4.601 0.000) 4.601 13.379 ( 0.000 4.601 0.000) 4.601 13.401 ( 0.000 -4.655 0.000) 4.655 13.401 ( 0.000 4.655 0.000) 4.655 13.662 ( 0.000 -6.195 0.000) 6.195 13.662 ( 0.000 6.195 0.000) 6.195 13.936 ( 0.000 -0.203 0.000) 0.203 13.936 ( 0.000 0.203 0.000) 0.203 14.257 ( 0.000 -3.086 0.000) 3.086 14.257 ( 0.000 3.086 0.000) 3.086 14.469 ( 0.000 -1.717 0.000) 1.717 14.469 ( 0.000 1.717 0.000) 1.717 14.525 ( 0.000 -1.829 0.000) 1.829 14.525 ( 0.000 1.829 0.000) 1.829 15.237 ( 0.000 -1.801 0.000) 1.801 15.237 ( 0.000 1.801 0.000) 1.801 15.573 ( 0.000 -0.049 0.000) 0.049 15.573 ( 0.000 0.049 0.000) 0.049 15.797 ( 0.000 -2.249 0.000) 2.249 15.797 ( 0.000 2.249 0.000) 2.249 15.935 ( 0.000 -6.126 0.000) 6.126 15.935 ( 0.000 6.126 0.000) 6.126 15.938 ( 0.000 -0.910 0.000) 0.910 15.938 ( 0.000 0.910 0.000) 0.910 16.073 ( 0.000 -2.200 0.000) 2.200 16.073 ( 0.000 2.200 0.000) 2.200 16.423 ( 0.000 -0.961 0.000) 0.961 16.423 ( 0.000 0.961 0.000) 0.961 16.500 ( 0.000 -2.227 0.000) 2.227 16.500 ( 0.000 2.227 0.000) 2.227 16.733 ( 0.000 -3.417 0.000) 3.417 16.733 ( 0.000 3.417 0.000) 3.417 17.798 ( 0.000 -3.809 0.000) 3.809 17.798 ( 0.000 3.809 0.000) 3.809 17.942 ( 0.000 -2.718 0.000) 2.718 17.942 ( 0.000 2.718 0.000) 2.718 18.060 ( 0.000 -1.698 0.000) 1.698 18.060 ( 0.000 1.698 0.000) 1.698 18.363 ( 0.000 -4.220 0.000) 4.220 18.363 ( 0.000 4.220 0.000) 4.220 18.675 ( 0.000 -0.796 0.000) 0.796 18.675 ( 0.000 0.796 0.000) 0.796 18.824 ( 0.000 -1.565 0.000) 1.565 18.824 ( 0.000 1.565 0.000) 1.565 18.842 ( 0.000 -8.454 0.000) 8.454 18.842 ( 0.000 8.454 0.000) 8.454 19.041 ( 0.000 -8.176 0.000) 8.176 19.041 ( 0.000 8.176 0.000) 8.176 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -1.494 -7.779 0.000) 7.921 1.672 ( -1.494 7.779 0.000) 7.921 1.935 ( 7.131 -12.867 0.000) 14.711 1.935 ( 7.131 12.867 0.000) 14.711 2.097 ( -0.654 -2.447 0.000) 2.533 2.097 ( -0.654 2.447 0.000) 2.533 2.243 ( 7.278 -2.227 0.000) 7.611 2.243 ( 7.278 2.227 0.000) 7.611 2.389 ( -1.975 -8.058 0.000) 8.297 2.389 ( -1.975 8.058 0.000) 8.297 2.481 ( 4.093 -2.431 0.000) 4.761 2.481 ( 4.093 2.431 0.000) 4.761 2.570 ( 0.475 -9.957 0.000) 9.969 2.570 ( 0.475 9.957 0.000) 9.969 2.651 ( -0.720 -1.996 0.000) 2.122 2.651 ( -0.720 1.996 0.000) 2.122 2.673 ( 2.674 -4.232 0.000) 5.006 2.673 ( 2.674 4.232 0.000) 5.006 2.757 ( 4.141 -1.706 0.000) 4.478 2.757 ( 4.141 1.706 0.000) 4.478 2.845 ( -3.861 -0.010 0.000) 3.861 2.845 ( -3.861 0.010 0.000) 3.861 2.907 ( -4.335 -4.746 0.000) 6.428 2.907 ( -4.335 4.746 0.000) 6.428 2.954 ( -2.148 -5.747 0.000) 6.135 2.954 ( -2.148 5.747 0.000) 6.135 3.021 ( -2.284 -8.045 0.000) 8.363 3.021 ( -2.284 8.045 0.000) 8.363 3.098 ( -2.944 -5.734 0.000) 6.446 3.098 ( -2.944 5.734 0.000) 6.446 3.367 ( 2.457 -0.438 0.000) 2.496 3.367 ( 2.457 0.438 0.000) 2.496 3.382 ( 1.334 -0.080 0.000) 1.336 3.382 ( 1.334 0.080 0.000) 1.336 3.488 ( 1.098 -0.000 0.000) 1.098 3.488 ( 1.098 0.000 0.000) 1.098 3.540 ( -3.946 -1.734 0.000) 4.311 3.540 ( -3.946 1.734 0.000) 4.311 3.691 ( -1.500 -2.088 0.000) 2.571 3.691 ( -1.500 2.088 0.000) 2.571 3.750 ( 5.427 -0.046 0.000) 5.427 3.750 ( 5.427 0.046 0.000) 5.427 3.940 ( 5.410 -0.530 0.000) 5.436 3.940 ( 5.410 0.530 0.000) 5.436 4.037 ( -1.520 -0.219 0.000) 1.536 4.037 ( -1.520 0.219 0.000) 1.536 4.103 ( 1.321 -4.550 0.000) 4.738 4.103 ( 1.321 4.550 0.000) 4.738 4.199 ( 2.980 -2.557 0.000) 3.927 4.199 ( 2.980 2.557 0.000) 3.927 4.335 ( -4.310 -0.854 0.000) 4.394 4.335 ( -4.310 0.854 0.000) 4.394 4.475 ( 5.653 -2.261 0.000) 6.089 4.475 ( 5.653 2.261 0.000) 6.089 4.545 ( -3.679 -2.828 0.000) 4.640 4.545 ( -3.679 2.828 0.000) 4.640 4.793 ( -5.356 -3.992 0.000) 6.680 4.793 ( -5.356 3.992 0.000) 6.680 4.817 ( -2.749 -0.000 0.000) 2.749 4.817 ( -2.749 0.000 0.000) 2.749 4.925 ( 1.207 -0.193 0.000) 1.222 4.925 ( 1.207 0.193 0.000) 1.222 4.983 ( -3.300 -2.825 0.000) 4.344 4.983 ( -3.300 2.825 0.000) 4.344 5.160 ( -1.124 -2.199 0.000) 2.470 5.160 ( -1.124 2.199 0.000) 2.470 5.363 ( 5.117 -0.729 0.000) 5.169 5.363 ( 5.117 0.729 0.000) 5.169 5.494 ( -0.138 -3.615 0.000) 3.617 5.494 ( -0.138 3.615 0.000) 3.617 5.928 ( 0.321 -0.508 0.000) 0.601 5.928 ( 0.321 0.508 0.000) 0.601 8.099 ( -2.425 -2.064 0.000) 3.184 8.099 ( -2.425 2.064 0.000) 3.184 8.317 ( 2.464 -2.261 0.000) 3.344 8.317 ( 2.464 2.261 0.000) 3.344 8.444 ( -1.922 -4.466 0.000) 4.862 8.444 ( -1.922 4.466 0.000) 4.862 8.568 ( 3.770 -0.762 0.000) 3.846 8.568 ( 3.770 0.762 0.000) 3.846 8.598 ( 2.274 -0.003 0.000) 2.274 8.598 ( 2.274 0.003 0.000) 2.274 8.689 ( 2.068 -0.018 0.000) 2.068 8.689 ( 2.068 0.018 0.000) 2.068 8.750 ( -1.103 -1.289 0.000) 1.697 8.750 ( -1.103 1.289 0.000) 1.697 8.884 ( -0.124 -1.542 0.000) 1.547 8.884 ( -0.124 1.542 0.000) 1.547 9.019 ( -2.092 -0.338 0.000) 2.119 9.019 ( -2.092 0.338 0.000) 2.119 9.202 ( -1.000 -1.294 0.000) 1.636 9.202 ( -1.000 1.294 0.000) 1.636 9.206 ( 0.711 -4.333 0.000) 4.391 9.206 ( 0.711 4.333 0.000) 4.391 9.256 ( -2.554 -0.567 0.000) 2.617 9.256 ( -2.554 0.567 0.000) 2.617 9.825 ( -0.593 -0.051 0.000) 0.595 9.825 ( -0.593 0.051 0.000) 0.595 9.860 ( 1.222 -0.945 0.000) 1.545 9.860 ( 1.222 0.945 0.000) 1.545 9.977 ( -3.634 -4.295 0.000) 5.626 9.977 ( -3.634 4.295 0.000) 5.626 10.023 ( -2.808 -1.671 0.000) 3.267 10.023 ( -2.808 1.671 0.000) 3.267 10.059 ( -1.771 -3.803 0.000) 4.195 10.059 ( -1.771 3.803 0.000) 4.195 10.287 ( 5.711 -5.985 0.000) 8.273 10.287 ( 5.711 5.985 0.000) 8.273 10.504 ( -2.508 -2.822 0.000) 3.776 10.504 ( -2.508 2.822 0.000) 3.776 10.604 ( 0.545 -1.293 0.000) 1.403 10.604 ( 0.545 1.293 0.000) 1.403 10.781 ( -4.438 -0.824 0.000) 4.514 10.781 ( -4.438 0.824 0.000) 4.514 10.841 ( -4.778 -6.683 0.000) 8.216 10.841 ( -4.778 6.683 0.000) 8.216 11.111 ( 3.864 -0.425 0.000) 3.887 11.111 ( 3.864 0.425 0.000) 3.887 11.315 ( 11.081 -5.779 0.000) 12.498 11.315 ( 11.081 5.779 0.000) 12.498 11.499 ( 3.884 -5.020 0.000) 6.347 11.499 ( 3.884 5.020 0.000) 6.347 11.728 ( 10.280 -0.945 0.000) 10.324 11.728 ( 10.280 0.945 0.000) 10.324 11.981 ( -5.687 -0.103 0.000) 5.688 11.981 ( -5.687 0.103 0.000) 5.688 12.128 ( 0.239 -0.037 0.000) 0.242 12.128 ( 0.239 0.037 0.000) 0.242 12.371 ( 3.237 -0.414 0.000) 3.263 12.371 ( 3.237 0.414 0.000) 3.263 12.766 ( -9.221 -0.470 0.000) 9.233 12.766 ( -9.221 0.470 0.000) 9.233 13.216 ( -6.595 -0.111 0.000) 6.596 13.216 ( -6.595 0.111 0.000) 6.596 13.432 ( -7.326 -1.041 0.000) 7.399 13.432 ( -7.326 1.041 0.000) 7.399 13.657 ( -5.008 -2.479 0.000) 5.588 13.657 ( -5.008 2.479 0.000) 5.588 13.812 ( 6.088 -0.002 0.000) 6.088 13.812 ( 6.088 0.002 0.000) 6.088 14.244 ( -6.228 -0.248 0.000) 6.233 14.244 ( -6.228 0.248 0.000) 6.233 14.461 ( -0.230 -1.064 0.000) 1.089 14.461 ( -0.230 1.064 0.000) 1.089 14.685 ( 11.339 -0.447 0.000) 11.348 14.685 ( 11.339 0.447 0.000) 11.348 15.166 ( -5.750 -0.012 0.000) 5.751 15.166 ( -5.750 0.012 0.000) 5.751 15.562 ( -0.791 -0.031 0.000) 0.792 15.562 ( -0.791 0.031 0.000) 0.792 15.817 ( 1.710 -1.290 0.000) 2.142 15.817 ( 1.710 1.290 0.000) 2.142 15.925 ( -1.281 -0.027 0.000) 1.282 15.925 ( -1.281 0.027 0.000) 1.282 16.031 ( 7.143 -4.031 0.000) 8.202 16.031 ( 7.143 4.031 0.000) 8.202 16.106 ( 2.405 -0.258 0.000) 2.419 16.106 ( 2.405 0.258 0.000) 2.419 16.402 ( -2.143 -0.122 0.000) 2.147 16.402 ( -2.143 0.122 0.000) 2.147 16.507 ( 0.722 -0.331 0.000) 0.794 16.507 ( 0.722 0.331 0.000) 0.794 16.751 ( 1.480 -2.217 0.000) 2.665 16.751 ( 1.480 2.217 0.000) 2.665 17.814 ( 1.493 -2.737 0.000) 3.118 17.814 ( 1.493 2.737 0.000) 3.118 17.946 ( -0.114 -0.124 0.000) 0.168 17.946 ( -0.114 0.124 0.000) 0.168 18.025 ( -2.431 -0.960 0.000) 2.614 18.025 ( -2.431 0.960 0.000) 2.614 18.380 ( 1.111 -2.235 0.000) 2.496 18.380 ( 1.111 2.235 0.000) 2.496 18.678 ( 0.388 -0.534 0.000) 0.660 18.678 ( 0.388 0.534 0.000) 0.660 18.805 ( -2.490 -4.153 0.000) 4.842 18.805 ( -2.490 4.153 0.000) 4.842 18.821 ( -0.420 -0.381 0.000) 0.567 18.821 ( -0.420 0.381 0.000) 0.567 19.066 ( 1.645 -4.303 0.000) 4.607 19.066 ( 1.645 4.303 0.000) 4.607 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 -0.000 0.000) 0.000 2.043 ( -0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.506 ( -0.000 -0.000 0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 2.512 ( 0.000 -0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.600 ( -0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 -0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.750 ( -0.000 -0.000 0.000) 0.000 2.750 ( 0.000 -0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 -0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.910 ( -0.000 -0.000 0.000) 0.000 2.910 ( -0.000 0.000 0.000) 0.000 2.933 ( -0.000 -0.000 0.000) 0.000 2.933 ( 0.000 -0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.439 ( -0.000 -0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.457 ( -0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.637 ( -0.000 0.000 0.000) 0.000 3.637 ( -0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.114 ( -0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 -0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.209 ( -0.000 0.000 0.000) 0.000 4.209 ( -0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.480 ( -0.000 -0.000 0.000) 0.000 4.480 ( -0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.419 ( -0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.649 ( -0.000 -0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.699 ( -0.000 -0.000 0.000) 0.000 8.699 ( 0.000 -0.000 0.000) 0.000 8.735 ( 0.000 -0.000 0.000) 0.000 8.735 ( -0.000 0.000 0.000) 0.000 8.926 ( -0.000 -0.000 0.000) 0.000 8.926 ( 0.000 -0.000 0.000) 0.000 8.940 ( -0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 -0.000 0.000) 0.000 9.227 ( -0.000 -0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.228 ( -0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 -0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 -0.000 0.000) 0.000 10.043 ( 0.000 -0.000 0.000) 0.000 10.400 ( -0.000 -0.000 0.000) 0.000 10.400 ( 0.000 -0.000 0.000) 0.000 10.431 ( -0.000 0.000 0.000) 0.000 10.431 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.752 ( -0.000 0.000 0.000) 0.000 10.752 ( -0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.871 ( -0.000 0.000 0.000) 0.000 11.871 ( -0.000 0.000 0.000) 0.000 11.941 ( -0.000 0.000 0.000) 0.000 11.941 ( -0.000 0.000 0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.439 ( -0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 13.160 ( -0.000 0.000 0.000) 0.000 13.160 ( 0.000 0.000 0.000) 0.000 13.259 ( 0.000 -0.000 0.000) 0.000 13.259 ( 0.000 -0.000 0.000) 0.000 13.648 ( 0.000 0.000 0.000) 0.000 13.648 ( 0.000 0.000 0.000) 0.000 13.945 ( 0.000 0.000 0.000) 0.000 13.945 ( 0.000 0.000 0.000) 0.000 14.111 ( 0.000 0.000 0.000) 0.000 14.111 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.065 ( -0.000 0.000 0.000) 0.000 15.065 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.146 ( -0.000 0.000 0.000) 0.000 16.146 ( 0.000 0.000 0.000) 0.000 16.360 ( 0.000 0.000 0.000) 0.000 16.360 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 17.843 ( 0.000 0.000 0.000) 0.000 17.843 ( 0.000 0.000 0.000) 0.000 17.929 ( 0.000 0.000 0.000) 0.000 17.929 ( 0.000 0.000 0.000) 0.000 18.000 ( 0.000 0.000 0.000) 0.000 18.000 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 18.687 ( -0.000 0.000 0.000) 0.000 18.687 ( -0.000 0.000 0.000) 0.000 18.768 ( 0.000 0.000 0.000) 0.000 18.768 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 19.086 ( 0.000 0.000 0.000) 0.000 19.086 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.000 0.000 23.460) 23.460 0.516 ( 0.000 0.000 24.436) 24.436 1.069 ( 0.000 0.000 48.671) 48.671 1.435 ( 0.000 0.000 -18.448) 18.448 1.568 ( 0.000 0.000 -24.426) 24.426 1.938 ( 0.000 0.000 13.998) 13.998 2.059 ( 0.000 0.000 3.628) 3.628 2.161 ( 0.000 0.000 1.326) 1.326 2.190 ( 0.000 0.000 4.104) 4.104 2.241 ( 0.000 0.000 -0.907) 0.907 2.348 ( 0.000 0.000 -8.388) 8.388 2.462 ( 0.000 0.000 -9.551) 9.551 2.518 ( 0.000 0.000 16.596) 16.596 2.581 ( 0.000 0.000 11.260) 11.260 2.620 ( 0.000 0.000 -13.190) 13.190 2.657 ( 0.000 0.000 3.967) 3.967 2.730 ( 0.000 0.000 6.900) 6.900 2.786 ( 0.000 0.000 -18.494) 18.494 2.882 ( 0.000 0.000 -10.020) 10.020 2.903 ( 0.000 0.000 -1.798) 1.798 2.909 ( 0.000 0.000 5.571) 5.571 3.014 ( 0.000 0.000 -5.032) 5.032 3.030 ( 0.000 0.000 6.637) 6.637 3.057 ( 0.000 0.000 -3.809) 3.809 3.150 ( 0.000 0.000 -2.711) 2.711 3.264 ( 0.000 0.000 8.651) 8.651 3.286 ( 0.000 0.000 2.817) 2.817 3.295 ( 0.000 0.000 1.927) 1.927 3.339 ( 0.000 0.000 0.914) 0.914 3.384 ( 0.000 0.000 -4.848) 4.848 3.430 ( 0.000 0.000 9.349) 9.349 3.439 ( 0.000 0.000 -0.556) 0.556 3.496 ( 0.000 0.000 -2.054) 2.054 3.501 ( 0.000 0.000 2.391) 2.391 3.553 ( 0.000 0.000 3.746) 3.746 3.687 ( 0.000 0.000 -1.130) 1.130 3.718 ( 0.000 0.000 -7.982) 7.982 3.790 ( 0.000 0.000 1.399) 1.399 3.799 ( 0.000 0.000 -5.253) 5.253 3.825 ( 0.000 0.000 1.879) 1.879 3.837 ( 0.000 0.000 4.679) 4.679 3.876 ( 0.000 0.000 1.088) 1.088 3.894 ( 0.000 0.000 -9.324) 9.324 3.895 ( 0.000 0.000 0.968) 0.968 3.931 ( 0.000 0.000 0.977) 0.977 3.975 ( 0.000 0.000 -1.906) 1.906 4.049 ( 0.000 0.000 -7.051) 7.051 4.053 ( 0.000 0.000 -2.951) 2.951 4.127 ( 0.000 0.000 -1.094) 1.094 4.164 ( 0.000 0.000 -1.423) 1.423 4.180 ( 0.000 0.000 -1.351) 1.351 4.244 ( 0.000 0.000 -4.179) 4.179 4.285 ( 0.000 0.000 -3.355) 3.355 4.327 ( 0.000 0.000 -5.412) 5.412 4.487 ( 0.000 0.000 7.930) 7.930 4.695 ( 0.000 0.000 -1.960) 1.960 4.717 ( 0.000 0.000 13.615) 13.615 4.831 ( 0.000 0.000 0.876) 0.876 4.897 ( 0.000 0.000 0.397) 0.397 4.898 ( 0.000 0.000 -2.280) 2.280 5.013 ( 0.000 0.000 0.407) 0.407 5.105 ( 0.000 0.000 5.468) 5.468 5.128 ( 0.000 0.000 -3.821) 3.821 5.134 ( 0.000 0.000 5.136) 5.136 5.273 ( 0.000 0.000 3.198) 3.198 5.273 ( 0.000 0.000 -0.249) 0.249 5.457 ( 0.000 0.000 -2.549) 2.549 5.495 ( 0.000 0.000 -5.861) 5.861 5.618 ( 0.000 0.000 0.229) 0.229 5.651 ( 0.000 0.000 -0.475) 0.475 5.880 ( 0.000 0.000 6.854) 6.854 6.175 ( 0.000 0.000 -4.668) 4.668 7.454 ( 0.000 0.000 2.770) 2.770 7.625 ( 0.000 0.000 -3.273) 3.273 7.733 ( 0.000 0.000 6.017) 6.017 7.775 ( 0.000 0.000 7.299) 7.299 7.960 ( 0.000 0.000 5.243) 5.243 8.149 ( 0.000 0.000 -9.552) 9.552 8.226 ( 0.000 0.000 -9.847) 9.847 8.247 ( 0.000 0.000 -5.710) 5.710 8.461 ( 0.000 0.000 2.389) 2.389 8.624 ( 0.000 0.000 -3.930) 3.930 8.684 ( 0.000 0.000 -2.112) 2.112 8.727 ( 0.000 0.000 -2.393) 2.393 8.759 ( 0.000 0.000 6.309) 6.309 8.896 ( 0.000 0.000 4.571) 4.571 8.946 ( 0.000 0.000 6.442) 6.442 8.992 ( 0.000 0.000 -0.371) 0.371 9.115 ( 0.000 0.000 -1.062) 1.062 9.119 ( 0.000 0.000 -6.346) 6.346 9.132 ( 0.000 0.000 2.587) 2.587 9.132 ( 0.000 0.000 -3.614) 3.614 9.306 ( 0.000 0.000 -7.252) 7.252 9.380 ( 0.000 0.000 -8.011) 8.011 9.472 ( 0.000 0.000 4.629) 4.629 9.553 ( 0.000 0.000 0.021) 0.021 9.649 ( 0.000 0.000 7.881) 7.881 9.763 ( 0.000 0.000 0.236) 0.236 9.795 ( 0.000 0.000 5.139) 5.139 9.859 ( 0.000 0.000 -1.735) 1.735 9.869 ( 0.000 0.000 3.649) 3.649 10.037 ( 0.000 0.000 -7.079) 7.079 10.105 ( 0.000 0.000 6.912) 6.912 10.108 ( 0.000 0.000 -5.994) 5.994 10.133 ( 0.000 0.000 -4.432) 4.432 10.164 ( 0.000 0.000 3.536) 3.536 10.221 ( 0.000 0.000 -0.306) 0.306 10.250 ( 0.000 0.000 9.370) 9.370 10.344 ( 0.000 0.000 -4.179) 4.179 10.355 ( 0.000 0.000 4.279) 4.279 10.463 ( 0.000 0.000 -0.537) 0.537 10.687 ( 0.000 0.000 7.031) 7.031 10.738 ( 0.000 0.000 -3.961) 3.961 10.806 ( 0.000 0.000 0.514) 0.514 10.811 ( 0.000 0.000 0.835) 0.835 10.942 ( 0.000 0.000 -3.726) 3.726 11.026 ( 0.000 0.000 -7.417) 7.417 11.061 ( 0.000 0.000 -3.168) 3.168 11.415 ( 0.000 0.000 -4.625) 4.625 11.661 ( 0.000 0.000 4.469) 4.469 11.686 ( 0.000 0.000 -9.478) 9.478 11.691 ( 0.000 0.000 0.303) 0.303 11.718 ( 0.000 0.000 -1.863) 1.863 11.730 ( 0.000 0.000 2.025) 2.025 11.963 ( 0.000 0.000 3.201) 3.201 12.042 ( 0.000 0.000 18.650) 18.650 12.104 ( 0.000 0.000 -2.110) 2.110 12.177 ( 0.000 0.000 0.567) 0.567 12.356 ( 0.000 0.000 -2.874) 2.874 12.396 ( 0.000 0.000 11.343) 11.343 12.605 ( 0.000 0.000 9.984) 9.984 12.669 ( 0.000 0.000 -4.940) 4.940 12.770 ( 0.000 0.000 -3.569) 3.569 12.995 ( 0.000 0.000 -1.900) 1.900 13.197 ( 0.000 0.000 -4.552) 4.552 13.201 ( 0.000 0.000 -3.450) 3.450 13.517 ( 0.000 0.000 3.382) 3.382 13.776 ( 0.000 0.000 5.030) 5.030 13.879 ( 0.000 0.000 -12.401) 12.401 14.191 ( 0.000 0.000 5.080) 5.080 14.267 ( 0.000 0.000 12.386) 12.386 14.352 ( 0.000 0.000 -1.508) 1.508 14.509 ( 0.000 0.000 -10.708) 10.708 14.711 ( 0.000 0.000 -10.033) 10.033 14.719 ( 0.000 0.000 10.636) 10.636 15.085 ( 0.000 0.000 -4.854) 4.854 15.101 ( 0.000 0.000 -1.266) 1.266 15.117 ( 0.000 0.000 -1.001) 1.001 15.503 ( 0.000 0.000 0.023) 0.023 15.522 ( 0.000 0.000 -2.363) 2.363 15.597 ( 0.000 0.000 3.481) 3.481 15.643 ( 0.000 0.000 3.645) 3.645 15.763 ( 0.000 0.000 6.597) 6.597 15.768 ( 0.000 0.000 -3.538) 3.538 15.960 ( 0.000 0.000 -6.517) 6.517 16.078 ( 0.000 0.000 0.673) 0.673 16.098 ( 0.000 0.000 -0.249) 0.249 16.099 ( 0.000 0.000 -4.667) 4.667 16.351 ( 0.000 0.000 -0.191) 0.191 16.420 ( 0.000 0.000 7.300) 7.300 16.452 ( 0.000 0.000 -4.959) 4.959 16.674 ( 0.000 0.000 -3.387) 3.387 16.984 ( 0.000 0.000 2.733) 2.733 17.092 ( 0.000 0.000 -1.792) 1.792 17.619 ( 0.000 0.000 2.847) 2.847 17.771 ( 0.000 0.000 -2.849) 2.849 17.879 ( 0.000 0.000 7.512) 7.512 18.157 ( 0.000 0.000 -5.135) 5.135 18.243 ( 0.000 0.000 1.485) 1.485 18.325 ( 0.000 0.000 2.694) 2.694 18.348 ( 0.000 0.000 -3.515) 3.515 18.402 ( 0.000 0.000 -1.060) 1.060 18.578 ( 0.000 0.000 6.027) 6.027 18.786 ( 0.000 0.000 -2.834) 2.834 18.857 ( 0.000 0.000 11.125) 11.125 19.022 ( 0.000 0.000 2.969) 2.969 19.211 ( 0.000 0.000 -3.884) 3.884 19.449 ( 0.000 0.000 -12.026) 12.026 19.710 ( 0.000 0.000 0.995) 0.995 19.731 ( 0.000 0.000 1.447) 1.447 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 16.950 0.000 16.949) 23.970 0.812 ( 18.361 0.000 19.718) 26.943 1.452 ( 29.257 0.000 29.383) 41.465 1.604 ( 1.219 0.000 -8.734) 8.819 1.622 ( -1.315 0.000 -9.787) 9.875 1.643 ( -7.497 0.000 1.674) 7.681 1.683 ( -8.573 0.000 -3.677) 9.328 2.082 ( -12.801 0.000 -12.624) 17.979 2.213 ( 1.024 0.000 -2.271) 2.492 2.376 ( -9.973 0.000 -3.869) 10.697 2.433 ( 11.178 0.000 1.458) 11.273 2.480 ( 0.465 0.000 -0.016) 0.465 2.534 ( 2.189 0.000 12.858) 13.043 2.600 ( 3.899 0.000 9.061) 9.864 2.664 ( 8.516 0.000 0.752) 8.549 2.714 ( 5.170 0.000 4.874) 7.105 2.728 ( 0.660 0.000 6.733) 6.765 2.818 ( -4.118 0.000 0.883) 4.211 2.875 ( -5.800 0.000 4.944) 7.621 2.921 ( 0.047 0.000 2.771) 2.772 2.945 ( 4.749 0.000 -14.434) 15.195 3.036 ( 4.568 0.000 -2.805) 5.360 3.080 ( -12.528 0.000 1.247) 12.590 3.123 ( 3.064 0.000 -1.875) 3.592 3.137 ( -1.286 0.000 -5.433) 5.583 3.177 ( 7.820 0.000 -3.496) 8.566 3.265 ( -1.089 0.000 0.167) 1.102 3.311 ( -2.697 0.000 -2.114) 3.427 3.332 ( 4.506 0.000 3.751) 5.863 3.348 ( -5.617 0.000 5.528) 7.881 3.446 ( 1.128 0.000 -0.085) 1.131 3.448 ( -1.053 0.000 0.445) 1.143 3.503 ( 4.591 0.000 5.234) 6.963 3.527 ( -5.315 0.000 0.714) 5.363 3.529 ( 4.649 0.000 -1.579) 4.910 3.552 ( -3.308 0.000 1.736) 3.736 3.672 ( -6.146 0.000 -9.169) 11.038 3.721 ( -4.339 0.000 -3.127) 5.349 3.725 ( -3.160 0.000 -0.731) 3.244 3.774 ( -3.593 0.000 1.780) 4.010 3.842 ( -3.636 0.000 -1.018) 3.776 3.849 ( 1.169 0.000 -0.526) 1.282 3.902 ( -5.032 0.000 -1.818) 5.350 3.907 ( 2.571 0.000 -1.864) 3.175 3.943 ( 0.013 0.000 -4.318) 4.318 3.983 ( -0.017 0.000 1.789) 1.789 4.024 ( 1.473 0.000 -4.283) 4.529 4.060 ( 0.560 0.000 -5.381) 5.410 4.098 ( 0.611 0.000 -4.412) 4.455 4.137 ( -5.951 0.000 1.757) 6.205 4.197 ( -1.316 0.000 -5.903) 6.048 4.211 ( 4.300 0.000 0.505) 4.329 4.280 ( -2.366 0.000 -4.030) 4.673 4.347 ( 3.157 0.000 -1.739) 3.605 4.519 ( 2.604 0.000 3.597) 4.441 4.640 ( -4.324 0.000 11.078) 11.892 4.679 ( -5.600 0.000 -2.541) 6.149 4.822 ( 2.951 0.000 -2.249) 3.711 4.828 ( -5.941 0.000 0.715) 5.984 4.912 ( -0.435 0.000 -2.931) 2.963 4.967 ( -0.259 0.000 1.612) 1.633 5.049 ( 1.074 0.000 1.624) 1.947 5.061 ( -2.066 0.000 5.258) 5.649 5.205 ( -3.327 0.000 -2.542) 4.187 5.324 ( 9.249 0.000 6.389) 11.241 5.388 ( 6.869 0.000 3.668) 7.787 5.466 ( 0.535 0.000 -0.387) 0.661 5.623 ( 0.066 0.000 -2.701) 2.702 5.667 ( 4.083 0.000 0.569) 4.122 5.756 ( 9.538 0.000 -3.693) 10.228 5.849 ( -2.850 0.000 5.689) 6.363 6.114 ( -5.529 0.000 -4.379) 7.053 7.513 ( 5.402 0.000 3.010) 6.184 7.648 ( 1.520 0.000 0.461) 1.589 7.699 ( -1.717 0.000 7.460) 7.655 7.826 ( 4.987 0.000 3.323) 5.993 7.854 ( -8.042 0.000 4.002) 8.983 8.163 ( -7.325 0.000 -4.232) 8.460 8.193 ( 2.413 0.000 -8.730) 9.057 8.228 ( 0.144 0.000 -9.785) 9.786 8.456 ( 0.114 0.000 2.659) 2.661 8.595 ( -5.615 0.000 2.286) 6.063 8.638 ( 1.138 0.000 -1.983) 2.286 8.660 ( -1.873 0.000 -0.482) 1.934 8.810 ( 2.878 0.000 2.338) 3.708 8.901 ( -0.335 0.000 3.635) 3.651 8.963 ( 1.795 0.000 5.189) 5.491 8.990 ( -0.356 0.000 -1.382) 1.427 9.080 ( -3.462 0.000 -5.419) 6.431 9.085 ( -3.079 0.000 2.556) 4.002 9.169 ( 5.233 0.000 -1.266) 5.384 9.213 ( 6.199 0.000 -1.401) 6.356 9.289 ( -1.595 0.000 -7.134) 7.311 9.394 ( 1.607 0.000 -8.058) 8.216 9.456 ( -2.133 0.000 4.555) 5.030 9.561 ( -0.258 0.000 -1.226) 1.253 9.671 ( 1.693 0.000 5.898) 6.136 9.756 ( -0.469 0.000 1.766) 1.827 9.760 ( -2.725 0.000 3.771) 4.653 9.845 ( -3.730 0.000 3.443) 5.076 9.861 ( 0.849 0.000 0.890) 1.230 10.028 ( -4.399 0.000 1.959) 4.816 10.043 ( 0.987 0.000 -5.462) 5.550 10.068 ( -1.090 0.000 -6.033) 6.130 10.181 ( 4.042 0.000 -0.559) 4.081 10.241 ( 1.637 0.000 4.399) 4.694 10.269 ( 1.204 0.000 3.856) 4.040 10.292 ( -1.794 0.000 -2.076) 2.744 10.353 ( -1.060 0.000 3.659) 3.809 10.383 ( 6.640 0.000 -4.092) 7.799 10.448 ( -1.470 0.000 -0.687) 1.622 10.616 ( 0.432 0.000 1.860) 1.910 10.726 ( -0.474 0.000 2.730) 2.771 10.745 ( -3.972 0.000 -0.783) 4.049 10.815 ( -3.785 0.000 -8.838) 9.615 10.839 ( -6.483 0.000 -1.518) 6.658 11.154 ( 9.479 0.000 -2.851) 9.899 11.160 ( 6.182 0.000 -2.388) 6.627 11.391 ( -2.309 0.000 -3.786) 4.435 11.439 ( -8.898 0.000 0.808) 8.934 11.623 ( -3.165 0.000 0.612) 3.224 11.711 ( -3.512 0.000 7.701) 8.464 11.757 ( 5.069 0.000 -3.902) 6.397 11.957 ( 4.042 0.000 -4.545) 6.083 12.025 ( 7.462 0.000 6.886) 10.153 12.117 ( 3.314 0.000 0.835) 3.418 12.188 ( 7.966 0.000 6.394) 10.215 12.195 ( 1.503 0.000 -0.741) 1.676 12.308 ( -4.241 0.000 3.030) 5.212 12.380 ( -1.306 0.000 8.475) 8.575 12.660 ( 8.774 0.000 9.001) 12.570 12.664 ( -0.092 0.000 -4.556) 4.557 12.742 ( -2.426 0.000 -2.548) 3.518 13.142 ( 12.646 0.000 -3.097) 13.019 13.242 ( -3.356 0.000 1.154) 3.548 13.260 ( 5.476 0.000 -5.121) 7.498 13.515 ( -1.173 0.000 2.956) 3.180 13.679 ( -7.848 0.000 3.577) 8.624 13.899 ( -4.384 0.000 -8.576) 9.632 13.956 ( -3.513 0.000 -7.192) 8.004 14.223 ( -1.618 0.000 10.247) 10.374 14.386 ( -0.980 0.000 2.183) 2.393 14.576 ( 0.933 0.000 -4.286) 4.386 14.642 ( -3.191 0.000 10.398) 10.876 14.787 ( 5.083 0.000 -12.797) 13.769 14.972 ( -6.863 0.000 -3.466) 7.689 15.002 ( -5.277 0.000 -1.378) 5.454 15.058 ( -4.686 0.000 -1.934) 5.070 15.497 ( -0.152 0.000 0.107) 0.186 15.529 ( 0.780 0.000 -1.666) 1.839 15.566 ( -2.206 0.000 2.625) 3.429 15.641 ( -4.723 0.000 1.211) 4.876 15.695 ( 3.047 0.000 2.955) 4.244 15.875 ( -7.716 0.000 0.096) 7.717 15.893 ( 4.470 0.000 -3.229) 5.514 15.960 ( 0.091 0.000 -7.318) 7.318 16.136 ( 4.692 0.000 3.833) 6.059 16.257 ( 5.480 0.000 0.176) 5.483 16.325 ( -2.626 0.000 2.837) 3.866 16.437 ( -2.309 0.000 -4.737) 5.270 16.475 ( 5.048 0.000 5.014) 7.115 16.729 ( 4.722 0.000 -4.403) 6.456 16.826 ( -10.588 0.000 2.809) 10.954 16.967 ( -6.006 0.000 -2.702) 6.586 17.824 ( 14.053 0.000 3.822) 14.564 17.937 ( 5.093 0.000 7.699) 9.232 18.050 ( 10.223 0.000 -3.779) 10.899 18.180 ( 0.598 0.000 -2.938) 2.998 18.239 ( -0.193 0.000 0.137) 0.236 18.303 ( -1.161 0.000 0.893) 1.464 18.335 ( -4.847 0.000 -1.619) 5.110 18.358 ( 0.018 0.000 -4.003) 4.003 18.594 ( 2.979 0.000 6.365) 7.028 18.847 ( 5.095 0.000 -4.212) 6.611 18.909 ( 3.707 0.000 9.499) 10.196 18.939 ( -7.389 0.000 3.283) 8.085 19.193 ( -1.097 0.000 -4.177) 4.319 19.449 ( -14.855 0.000 11.056) 18.518 19.482 ( 3.029 0.000 -10.348) 10.783 19.679 ( -4.415 0.000 -1.086) 4.546 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -22.591 0.000 9.446) 24.487 1.154 ( 22.591 0.000 9.446) 24.487 1.204 ( -18.952 0.000 17.388) 25.720 1.204 ( 18.952 0.000 17.388) 25.720 1.809 ( -10.378 0.000 -19.016) 21.664 1.809 ( 10.378 0.000 -19.016) 21.664 2.007 ( -16.721 0.000 -17.199) 23.987 2.007 ( 16.721 0.000 -17.199) 23.987 2.285 ( -35.883 0.000 15.287) 39.004 2.285 ( 35.883 0.000 15.287) 39.004 2.375 ( -6.576 0.000 7.106) 9.682 2.375 ( 6.576 0.000 7.106) 9.682 2.563 ( -0.435 0.000 8.639) 8.650 2.563 ( 0.435 0.000 8.639) 8.650 2.694 ( -5.257 0.000 8.307) 9.831 2.694 ( 5.257 0.000 8.307) 9.831 2.804 ( -4.131 0.000 3.162) 5.202 2.804 ( 4.131 0.000 3.162) 5.202 2.897 ( -7.413 0.000 1.715) 7.609 2.897 ( 7.413 0.000 1.715) 7.609 2.917 ( -11.028 0.000 2.151) 11.236 2.917 ( 11.028 0.000 2.151) 11.236 3.150 ( -3.778 0.000 -3.761) 5.331 3.150 ( 3.778 0.000 -3.761) 5.331 3.177 ( -9.196 0.000 -2.041) 9.420 3.177 ( 9.196 0.000 -2.041) 9.420 3.293 ( -3.118 0.000 -10.898) 11.336 3.293 ( 3.118 0.000 -10.898) 11.336 3.394 ( -5.638 0.000 2.582) 6.201 3.394 ( 5.638 0.000 2.582) 6.201 3.450 ( -8.086 0.000 -2.928) 8.600 3.450 ( 8.086 0.000 -2.928) 8.600 3.479 ( -3.111 0.000 -0.365) 3.132 3.479 ( 3.111 0.000 -0.365) 3.132 3.523 ( -5.953 0.000 0.873) 6.017 3.523 ( 5.953 0.000 0.873) 6.017 3.662 ( -4.580 0.000 -0.166) 4.583 3.662 ( 4.580 0.000 -0.166) 4.583 3.695 ( -1.288 0.000 -2.773) 3.058 3.695 ( 1.288 0.000 -2.773) 3.058 3.827 ( -3.375 0.000 -0.940) 3.504 3.827 ( 3.375 0.000 -0.940) 3.504 3.889 ( -2.953 0.000 -0.961) 3.106 3.889 ( 2.953 0.000 -0.961) 3.106 3.970 ( -3.195 0.000 1.052) 3.364 3.970 ( 3.195 0.000 1.052) 3.364 4.023 ( -3.915 0.000 -6.053) 7.209 4.023 ( 3.915 0.000 -6.053) 7.209 4.097 ( -1.667 0.000 -5.247) 5.506 4.097 ( 1.667 0.000 -5.247) 5.506 4.191 ( -2.076 0.000 -4.731) 5.167 4.191 ( 2.076 0.000 -4.731) 5.167 4.447 ( -6.406 0.000 1.889) 6.679 4.447 ( 6.406 0.000 1.889) 6.679 4.457 ( -12.379 0.000 -0.043) 12.379 4.457 ( 12.379 0.000 -0.043) 12.379 4.690 ( -6.162 0.000 5.250) 8.095 4.690 ( 6.162 0.000 5.250) 8.095 4.900 ( -2.596 0.000 -3.942) 4.720 4.900 ( 2.596 0.000 -3.942) 4.720 5.004 ( -2.895 0.000 3.956) 4.902 5.004 ( 2.895 0.000 3.956) 4.902 5.114 ( -4.477 0.000 -1.435) 4.701 5.114 ( 4.477 0.000 -1.435) 4.701 5.452 ( -2.727 0.000 4.038) 4.872 5.452 ( 2.727 0.000 4.038) 4.872 5.545 ( -6.759 0.000 2.216) 7.113 5.545 ( 6.759 0.000 2.216) 7.113 5.766 ( -4.675 0.000 2.893) 5.498 5.766 ( 4.675 0.000 2.893) 5.498 5.955 ( -8.961 0.000 -3.621) 9.665 5.955 ( 8.961 0.000 -3.621) 9.665 7.668 ( -8.647 0.000 3.541) 9.344 7.668 ( 8.647 0.000 3.541) 9.344 7.674 ( -0.939 0.000 5.497) 5.576 7.674 ( 0.939 0.000 5.497) 5.576 7.980 ( -8.831 0.000 -1.747) 9.002 7.980 ( 8.831 0.000 -1.747) 9.002 8.225 ( -0.646 0.000 -9.412) 9.434 8.225 ( 0.646 0.000 -9.412) 9.434 8.492 ( -3.505 0.000 3.206) 4.750 8.492 ( 3.505 0.000 3.206) 4.750 8.652 ( -0.174 0.000 -1.786) 1.794 8.652 ( 0.174 0.000 -1.786) 1.794 8.869 ( -2.487 0.000 2.164) 3.297 8.869 ( 2.487 0.000 2.164) 3.297 9.005 ( -2.484 0.000 -3.216) 4.064 9.005 ( 2.484 0.000 -3.216) 4.064 9.017 ( -3.035 0.000 3.664) 4.758 9.017 ( 3.035 0.000 3.664) 4.758 9.258 ( -1.927 0.000 -5.057) 5.412 9.258 ( 1.927 0.000 -5.057) 5.412 9.362 ( -6.606 0.000 2.097) 6.931 9.362 ( 6.606 0.000 2.097) 6.931 9.488 ( -6.377 0.000 -4.491) 7.800 9.488 ( 6.377 0.000 -4.491) 7.800 9.707 ( -1.912 0.000 3.829) 4.280 9.707 ( 1.912 0.000 3.829) 4.280 9.764 ( -2.042 0.000 3.698) 4.224 9.764 ( 2.042 0.000 3.698) 4.224 9.924 ( -4.846 0.000 2.274) 5.353 9.924 ( 4.846 0.000 2.274) 5.353 10.056 ( -0.340 0.000 -6.319) 6.328 10.056 ( 0.340 0.000 -6.319) 6.328 10.259 ( -2.061 0.000 2.823) 3.495 10.259 ( 2.061 0.000 2.823) 3.495 10.297 ( -3.070 0.000 2.044) 3.688 10.297 ( 3.070 0.000 2.044) 3.688 10.313 ( -3.751 0.000 1.057) 3.897 10.313 ( 3.751 0.000 1.057) 3.897 10.596 ( -6.063 0.000 -6.855) 9.151 10.596 ( 6.063 0.000 -6.855) 9.151 10.727 ( -1.676 0.000 -0.668) 1.804 10.727 ( -1.031 0.000 -0.705) 1.249 10.727 ( 0.726 0.000 -0.736) 1.034 10.727 ( 1.981 0.000 -0.584) 2.065 11.291 ( -6.084 0.000 -0.059) 6.084 11.291 ( 6.084 0.000 -0.059) 6.084 11.320 ( -5.096 0.000 -3.976) 6.464 11.320 ( 5.096 0.000 -3.976) 6.464 11.615 ( -3.295 0.000 8.044) 8.692 11.615 ( 3.295 0.000 8.044) 8.692 11.891 ( -6.494 0.000 -3.151) 7.218 11.891 ( 6.494 0.000 -3.151) 7.218 12.182 ( -6.882 0.000 5.684) 8.926 12.182 ( 6.882 0.000 5.684) 8.926 12.202 ( -1.939 0.000 -0.855) 2.119 12.202 ( 1.939 0.000 -0.855) 2.119 12.323 ( -4.327 0.000 6.529) 7.832 12.323 ( 4.327 0.000 6.529) 7.832 12.686 ( -2.265 0.000 -2.644) 3.482 12.686 ( 2.265 0.000 -2.644) 3.482 12.972 ( -17.572 0.000 8.134) 19.363 12.972 ( 17.572 0.000 8.134) 19.363 13.380 ( -4.577 0.000 -8.650) 9.786 13.380 ( 4.577 0.000 -8.650) 9.786 13.489 ( -8.094 0.000 4.950) 9.488 13.489 ( 8.094 0.000 4.950) 9.488 13.906 ( -4.209 0.000 -12.017) 12.733 13.906 ( 4.209 0.000 -12.017) 12.733 14.267 ( -6.417 0.000 7.092) 9.565 14.267 ( 6.417 0.000 7.092) 9.565 14.595 ( -1.805 0.000 -0.000) 1.805 14.595 ( 1.805 0.000 -0.000) 1.805 14.897 ( -4.970 0.000 -5.642) 7.519 14.897 ( 4.970 0.000 -5.642) 7.519 14.951 ( -4.093 0.000 -2.060) 4.582 14.951 ( 4.093 0.000 -2.060) 4.582 15.515 ( -1.972 0.000 0.834) 2.141 15.515 ( 1.972 0.000 0.834) 2.141 15.563 ( -2.588 0.000 -0.607) 2.658 15.563 ( 2.588 0.000 -0.607) 2.658 15.763 ( -3.616 0.000 1.903) 4.086 15.763 ( 3.616 0.000 1.903) 4.086 15.952 ( -1.283 0.000 -6.757) 6.878 15.952 ( 1.283 0.000 -6.757) 6.878 16.243 ( -4.811 0.000 4.900) 6.867 16.243 ( 4.811 0.000 4.900) 6.867 16.362 ( -4.411 0.000 -1.702) 4.728 16.362 ( 4.411 0.000 -1.702) 4.728 16.620 ( -8.369 0.000 3.788) 9.186 16.620 ( 8.369 0.000 3.788) 9.186 16.846 ( -5.752 0.000 -4.623) 7.380 16.846 ( 5.752 0.000 -4.623) 7.380 18.065 ( -5.635 0.000 8.235) 9.978 18.065 ( 5.635 0.000 8.235) 9.978 18.085 ( -9.332 0.000 2.766) 9.733 18.085 ( 9.332 0.000 2.766) 9.733 18.261 ( -2.090 0.000 -4.330) 4.808 18.261 ( 2.090 0.000 -4.330) 4.808 18.327 ( -2.447 0.000 -3.028) 3.893 18.327 ( 2.447 0.000 -3.028) 3.893 18.742 ( -9.812 0.000 4.472) 10.783 18.742 ( 9.812 0.000 4.472) 10.783 18.942 ( -2.081 0.000 1.675) 2.671 18.942 ( 2.081 0.000 1.675) 2.671 19.225 ( -5.821 0.000 3.308) 6.695 19.225 ( 5.821 0.000 3.308) 6.695 19.571 ( -5.070 0.000 -6.130) 7.955 19.571 ( 5.070 0.000 -6.130) 7.955 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 16.464 16.019) 22.971 0.773 ( 0.000 18.114 17.181) 24.966 1.359 ( 0.000 25.253 34.756) 42.962 1.495 ( 0.000 5.548 -16.870) 17.759 1.625 ( 0.000 5.420 -21.410) 22.085 1.958 ( 0.000 1.960 12.736) 12.885 2.086 ( 0.000 2.515 3.277) 4.131 2.132 ( 0.000 -1.840 2.751) 3.310 2.214 ( 0.000 1.095 2.652) 2.869 2.247 ( 0.000 1.366 1.358) 1.926 2.350 ( 0.000 0.156 -7.206) 7.207 2.451 ( 0.000 -5.162 8.649) 10.073 2.485 ( 0.000 0.321 -2.443) 2.464 2.561 ( 0.000 -0.159 4.680) 4.682 2.572 ( 0.000 -3.651 -2.714) 4.549 2.655 ( 0.000 0.202 4.197) 4.202 2.721 ( 0.000 -2.807 3.253) 4.297 2.785 ( 0.000 -0.294 -12.404) 12.408 2.881 ( 0.000 -1.604 3.296) 3.665 2.913 ( 0.000 0.684 -2.710) 2.795 2.934 ( 0.000 3.934 -14.281) 14.813 2.997 ( 0.000 -0.600 1.142) 1.290 3.071 ( 0.000 -0.584 -2.321) 2.393 3.079 ( 0.000 3.236 -4.898) 5.870 3.162 ( 0.000 0.970 -2.843) 3.004 3.211 ( 0.000 -3.789 4.573) 5.938 3.291 ( 0.000 -1.391 3.647) 3.903 3.311 ( 0.000 -1.829 3.053) 3.559 3.352 ( 0.000 1.148 1.659) 2.017 3.352 ( 0.000 -4.249 -3.104) 5.263 3.392 ( 0.000 -2.804 -1.302) 3.092 3.429 ( 0.000 -1.753 2.996) 3.471 3.438 ( 0.000 -6.827 -3.762) 7.795 3.460 ( 0.000 -1.120 5.311) 5.428 3.578 ( 0.000 2.645 5.690) 6.274 3.606 ( 0.000 -2.874 -3.072) 4.207 3.710 ( 0.000 -7.602 5.846) 9.589 3.753 ( 0.000 -0.927 -6.705) 6.769 3.784 ( 0.000 -5.331 1.900) 5.659 3.788 ( 0.000 -0.729 -3.959) 4.025 3.814 ( 0.000 0.661 0.799) 1.037 3.820 ( 0.000 -4.169 -6.133) 7.416 3.878 ( 0.000 -0.380 2.771) 2.797 3.922 ( 0.000 3.082 -2.396) 3.904 3.951 ( 0.000 1.111 1.938) 2.234 4.009 ( 0.000 0.575 -2.875) 2.932 4.021 ( 0.000 -2.724 0.512) 2.771 4.024 ( 0.000 3.831 -1.291) 4.043 4.125 ( 0.000 -5.847 -1.661) 6.078 4.181 ( 0.000 0.824 -1.617) 1.815 4.197 ( 0.000 0.707 -1.807) 1.940 4.250 ( 0.000 7.769 -5.562) 9.554 4.285 ( 0.000 -3.495 -3.574) 4.999 4.372 ( 0.000 4.448 -4.124) 6.065 4.508 ( 0.000 1.820 6.859) 7.096 4.687 ( 0.000 0.752 -2.948) 3.042 4.704 ( 0.000 -7.076 2.918) 7.654 4.707 ( 0.000 -2.946 7.402) 7.966 4.912 ( 0.000 1.225 -0.933) 1.540 4.922 ( 0.000 -1.262 -3.521) 3.740 5.076 ( 0.000 1.177 1.265) 1.728 5.095 ( 0.000 -2.978 8.985) 9.466 5.105 ( 0.000 2.949 0.844) 3.067 5.177 ( 0.000 -5.190 6.780) 8.538 5.182 ( 0.000 2.280 -0.260) 2.295 5.284 ( 0.000 0.511 0.301) 0.593 5.293 ( 0.000 -6.458 6.187) 8.943 5.418 ( 0.000 -4.511 -1.691) 4.818 5.601 ( 0.000 -2.068 0.222) 2.080 5.670 ( 0.000 3.316 -2.292) 4.031 5.871 ( 0.000 -0.591 4.682) 4.719 6.085 ( 0.000 -8.046 -3.616) 8.821 7.583 ( 0.000 11.370 2.314) 11.603 7.723 ( 0.000 8.862 -2.347) 9.168 7.810 ( 0.000 9.312 7.841) 12.174 7.897 ( 0.000 10.747 6.880) 12.760 8.000 ( 0.000 3.900 4.856) 6.228 8.210 ( 0.000 3.587 -8.895) 9.591 8.264 ( 0.000 1.706 -4.895) 5.184 8.315 ( 0.000 3.948 -8.176) 9.080 8.480 ( 0.000 1.922 2.167) 2.897 8.618 ( 0.000 -0.289 -2.063) 2.083 8.635 ( 0.000 -2.384 5.019) 5.557 8.680 ( 0.000 -0.717 -1.838) 1.972 8.782 ( 0.000 2.053 4.536) 4.978 8.861 ( 0.000 -3.128 2.185) 3.815 8.908 ( 0.000 -3.496 6.340) 7.240 8.944 ( 0.000 -3.554 -0.978) 3.686 9.076 ( 0.000 -4.833 2.689) 5.531 9.120 ( 0.000 0.594 -1.211) 1.349 9.136 ( 0.000 1.473 -6.934) 7.089 9.273 ( 0.000 1.355 -10.829) 10.913 9.289 ( 0.000 -1.614 -8.085) 8.245 9.376 ( 0.000 -0.697 -8.977) 9.004 9.510 ( 0.000 -0.353 3.274) 3.293 9.538 ( 0.000 1.729 1.154) 2.079 9.661 ( 0.000 -1.447 3.165) 3.480 9.793 ( 0.000 0.456 5.435) 5.454 9.841 ( 0.000 1.603 2.011) 2.572 9.858 ( 0.000 -0.915 4.038) 4.140 9.957 ( 0.000 4.703 -2.641) 5.394 10.026 ( 0.000 1.884 -3.051) 3.586 10.103 ( 0.000 -0.606 -4.805) 4.843 10.118 ( 0.000 -3.362 2.457) 4.164 10.142 ( 0.000 1.393 -3.333) 3.612 10.226 ( 0.000 0.418 -2.147) 2.187 10.228 ( 0.000 1.090 8.244) 8.316 10.384 ( 0.000 1.164 5.501) 5.622 10.424 ( 0.000 7.800 -0.782) 7.839 10.467 ( 0.000 -0.032 2.017) 2.017 10.621 ( 0.000 -4.803 6.675) 8.223 10.655 ( 0.000 8.480 -8.857) 12.263 10.745 ( 0.000 -4.676 0.651) 4.721 10.789 ( 0.000 -2.643 1.013) 2.830 10.790 ( 0.000 20.596 -27.241) 34.151 10.965 ( 0.000 1.932 -4.532) 4.926 11.020 ( 0.000 1.228 -8.241) 8.332 11.031 ( 0.000 -1.304 -5.064) 5.229 11.335 ( 0.000 -7.080 -4.833) 8.573 11.539 ( 0.000 -6.904 -2.136) 7.227 11.640 ( 0.000 -3.960 1.638) 4.286 11.722 ( 0.000 -0.225 0.672) 0.709 11.745 ( 0.000 1.133 -3.395) 3.579 11.785 ( 0.000 4.020 -2.428) 4.697 11.984 ( 0.000 3.304 -2.120) 3.925 11.994 ( 0.000 -4.205 17.946) 18.432 12.080 ( 0.000 -2.184 -2.460) 3.289 12.187 ( 0.000 0.789 2.810) 2.919 12.361 ( 0.000 0.307 -2.950) 2.966 12.406 ( 0.000 0.606 11.768) 11.784 12.691 ( 0.000 4.258 -0.372) 4.275 12.707 ( 0.000 7.767 -5.467) 9.498 12.774 ( 0.000 0.383 -4.855) 4.871 13.031 ( 0.000 3.288 -1.338) 3.550 13.224 ( 0.000 2.254 -4.446) 4.985 13.235 ( 0.000 3.563 -3.952) 5.321 13.538 ( 0.000 1.816 2.741) 3.288 13.725 ( 0.000 -4.455 5.710) 7.242 13.863 ( 0.000 -1.650 -11.984) 12.097 14.174 ( 0.000 -0.936 5.627) 5.704 14.228 ( 0.000 -3.647 11.516) 12.079 14.365 ( 0.000 0.894 -2.212) 2.386 14.483 ( 0.000 -2.425 -10.936) 11.202 14.670 ( 0.000 -3.479 -7.585) 8.345 14.711 ( 0.000 -0.685 11.187) 11.208 15.062 ( 0.000 -2.873 3.814) 4.775 15.094 ( 0.000 0.839 -5.109) 5.177 15.166 ( 0.000 3.108 -2.408) 3.932 15.515 ( 0.000 1.313 0.575) 1.434 15.558 ( 0.000 3.017 -2.002) 3.621 15.596 ( 0.000 0.025 3.740) 3.740 15.660 ( 0.000 1.754 3.646) 4.046 15.781 ( 0.000 1.123 -3.904) 4.063 15.795 ( 0.000 2.757 4.848) 5.577 16.011 ( 0.000 4.174 -6.943) 8.101 16.101 ( 0.000 0.477 -4.051) 4.079 16.115 ( 0.000 3.062 1.454) 3.390 16.167 ( 0.000 5.361 -0.182) 5.364 16.286 ( 0.000 -7.115 7.173) 10.104 16.412 ( 0.000 -2.518 -3.291) 4.143 16.450 ( 0.000 2.697 7.331) 7.812 16.690 ( 0.000 1.442 -3.038) 3.363 16.696 ( 0.000 -25.349 15.768) 29.853 16.872 ( 0.000 -9.856 0.703) 9.881 17.628 ( 0.000 0.882 2.782) 2.918 17.781 ( 0.000 0.934 -2.976) 3.119 17.874 ( 0.000 -0.377 7.010) 7.021 18.150 ( 0.000 -0.746 -5.002) 5.057 18.234 ( 0.000 -0.806 1.877) 2.043 18.259 ( 0.000 -5.242 5.191) 7.377 18.345 ( 0.000 -3.554 0.697) 3.621 18.358 ( 0.000 0.943 -3.840) 3.954 18.587 ( 0.000 0.811 5.876) 5.931 18.784 ( 0.000 -0.116 -2.595) 2.598 18.833 ( 0.000 -2.201 10.350) 10.581 18.987 ( 0.000 -3.123 2.514) 4.009 19.149 ( 0.000 -5.608 -3.395) 6.555 19.296 ( 0.000 -16.585 13.457) 21.358 19.413 ( 0.000 -7.445 -5.200) 9.082 19.642 ( 0.000 -8.017 -0.165) 8.019 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 12.779 15.018 13.837) 24.089 0.960 ( 16.141 12.966 15.792) 26.039 1.612 ( 8.236 11.624 16.460) 21.769 1.661 ( 0.486 4.805 -7.166) 8.642 1.677 ( -0.249 5.628 -9.880) 11.373 1.722 ( -0.112 8.797 9.279) 12.787 1.732 ( 1.256 5.951 -2.591) 6.611 2.099 ( -10.980 1.768 -10.087) 15.014 2.225 ( 1.099 0.907 -1.922) 2.393 2.387 ( -7.097 0.732 -1.350) 7.261 2.410 ( 4.704 -1.704 1.629) 5.262 2.493 ( 5.935 -1.278 4.694) 7.674 2.527 ( 1.276 0.653 6.719) 6.870 2.540 ( 4.879 -4.227 7.897) 10.199 2.629 ( 5.820 -2.384 2.679) 6.836 2.702 ( 1.414 -1.156 3.609) 4.045 2.707 ( 1.474 -0.953 5.735) 5.998 2.796 ( -2.876 -1.554 0.197) 3.275 2.873 ( -4.048 -0.389 0.918) 4.170 2.913 ( 1.657 -1.387 -6.238) 6.601 2.952 ( 6.225 0.019 -5.140) 8.073 3.041 ( -1.186 0.235 -1.683) 2.073 3.080 ( -4.147 -0.722 -2.931) 5.129 3.137 ( 3.336 -0.293 -4.834) 5.881 3.184 ( -0.674 1.699 -5.506) 5.801 3.212 ( -0.434 2.638 -0.866) 2.810 3.241 ( -2.647 -3.220 -0.409) 4.188 3.269 ( 0.478 -3.690 2.466) 4.464 3.285 ( -0.813 -1.908 -2.379) 3.156 3.372 ( -2.034 -1.054 2.865) 3.668 3.399 ( -1.496 -3.993 1.108) 4.405 3.405 ( 1.025 -3.716 1.741) 4.229 3.462 ( -0.804 0.897 3.729) 3.919 3.515 ( 4.491 -0.701 -0.299) 4.555 3.534 ( -2.069 0.073 2.547) 3.282 3.563 ( 0.245 0.083 0.704) 0.750 3.649 ( -5.360 -3.841 -0.785) 6.641 3.670 ( -2.024 -2.897 0.344) 3.551 3.712 ( -4.211 -2.279 -0.667) 4.834 3.785 ( -3.132 1.041 1.161) 3.499 3.807 ( -0.031 -2.427 -4.114) 4.776 3.830 ( -1.333 -2.307 0.928) 2.822 3.874 ( 3.371 -1.672 -2.461) 4.496 3.958 ( 2.317 3.237 -1.181) 4.153 3.971 ( -2.673 0.742 -4.241) 5.068 3.990 ( 0.003 2.428 1.268) 2.738 4.022 ( -0.423 -1.978 -2.591) 3.287 4.035 ( -1.436 -0.431 -3.463) 3.773 4.068 ( -3.609 0.330 -2.552) 4.433 4.103 ( -0.760 -4.226 -0.270) 4.303 4.205 ( -4.970 -1.770 -2.875) 6.008 4.231 ( -4.698 1.523 -0.763) 4.997 4.259 ( 5.865 3.159 -6.305) 9.172 4.347 ( 0.592 -0.394 -5.201) 5.250 4.525 ( 0.133 -0.238 1.865) 1.885 4.582 ( -7.662 -3.798 2.246) 8.842 4.708 ( 0.261 -0.343 0.114) 0.446 4.762 ( 3.687 1.181 1.719) 4.236 4.885 ( -0.939 0.294 1.847) 2.093 4.964 ( 2.127 2.478 -0.012) 3.265 5.003 ( -4.146 5.632 0.809) 7.040 5.061 ( -0.874 -0.123 4.759) 4.840 5.093 ( 0.282 2.172 3.072) 3.773 5.213 ( -2.022 0.186 -1.340) 2.433 5.291 ( 7.673 -3.662 4.921) 9.824 5.351 ( 6.014 -2.780 2.456) 7.066 5.408 ( 2.840 -7.100 0.536) 7.666 5.439 ( 2.310 -9.058 2.901) 9.787 5.678 ( 5.307 0.006 -0.712) 5.354 5.729 ( 6.148 -1.079 -2.219) 6.624 5.846 ( -2.275 0.014 3.564) 4.228 6.030 ( -4.950 -7.513 -3.339) 9.597 7.633 ( 4.465 10.285 2.575) 11.505 7.751 ( 2.137 8.973 -0.109) 9.224 7.797 ( -1.003 9.507 6.777) 11.718 7.903 ( -2.023 7.149 4.741) 8.813 7.963 ( -0.156 8.534 3.160) 9.102 8.188 ( -5.549 2.979 -4.015) 7.469 8.242 ( 2.207 3.597 -7.369) 8.492 8.316 ( -1.020 5.039 -7.469) 9.067 8.475 ( 0.156 1.939 2.511) 3.177 8.576 ( -3.378 -0.644 2.183) 4.074 8.639 ( 1.088 -0.019 -0.159) 1.100 8.673 ( -0.554 0.688 -1.838) 2.039 8.816 ( 1.810 0.358 2.626) 3.209 8.875 ( 0.324 -2.286 2.494) 3.399 8.925 ( 1.874 -3.308 4.789) 6.115 8.965 ( 0.999 -2.499 -1.084) 2.901 9.047 ( -2.374 -3.744 2.782) 5.234 9.090 ( -3.607 1.045 -5.761) 6.877 9.163 ( 4.308 -0.314 -1.113) 4.461 9.273 ( -0.758 -0.736 -6.810) 6.891 9.300 ( 2.781 2.347 -6.578) 7.517 9.381 ( 1.039 -1.670 -8.713) 8.932 9.506 ( -2.593 2.928 1.197) 4.090 9.526 ( -0.243 -2.114 -0.600) 2.211 9.662 ( 0.806 -1.123 4.909) 5.100 9.781 ( -1.908 0.995 4.570) 5.052 9.817 ( -2.338 2.295 4.567) 5.621 9.831 ( -1.424 -0.926 2.049) 2.661 9.907 ( -3.805 5.670 -0.321) 6.837 9.989 ( -4.802 -0.251 0.387) 4.825 10.037 ( 0.763 0.046 -3.610) 3.691 10.091 ( -1.203 -0.856 -5.496) 5.691 10.205 ( 1.001 -0.774 1.770) 2.176 10.235 ( 0.911 0.036 2.361) 2.531 10.279 ( 3.247 -0.028 -0.571) 3.297 10.361 ( -1.784 4.054 2.167) 4.931 10.413 ( 1.050 0.834 3.329) 3.589 10.457 ( -5.241 6.006 1.652) 8.140 10.565 ( 2.169 2.584 -1.366) 3.640 10.605 ( -5.756 9.305 -8.621) 13.930 10.651 ( -1.019 -5.019 2.095) 5.534 10.746 ( -2.770 2.725 -2.590) 4.670 10.809 ( -2.446 -0.192 -6.808) 7.237 10.860 ( -5.613 1.256 -2.076) 6.115 11.107 ( 6.466 -3.482 -3.383) 8.086 11.133 ( 7.341 -2.541 -3.220) 8.410 11.312 ( -2.189 -6.500 -3.491) 7.696 11.428 ( -8.403 -1.116 -2.054) 8.722 11.622 ( 0.048 -1.566 0.062) 1.568 11.665 ( -3.312 -0.915 4.835) 5.931 11.781 ( 1.306 -0.091 -1.686) 2.135 11.926 ( 5.307 -2.076 -3.216) 6.543 12.021 ( 7.415 -0.693 8.519) 11.315 12.087 ( 2.726 -2.705 1.151) 4.010 12.184 ( 5.607 -0.001 0.080) 5.607 12.210 ( 4.402 0.939 4.907) 6.659 12.323 ( -4.020 1.257 2.337) 4.817 12.377 ( -1.833 -0.353 7.331) 7.565 12.663 ( -0.295 1.316 -1.204) 1.808 12.690 ( 0.745 0.871 1.645) 2.005 12.774 ( 1.768 3.770 -1.903) 4.579 13.155 ( 10.143 1.415 -1.695) 10.381 13.270 ( 1.390 1.871 -3.758) 4.422 13.292 ( 0.319 3.385 -0.721) 3.475 13.523 ( -2.103 0.667 2.538) 3.363 13.646 ( -5.855 -2.837 3.641) 7.456 13.870 ( -3.144 -2.514 -8.435) 9.346 13.968 ( -3.724 0.809 -8.232) 9.071 14.206 ( -1.156 -1.508 10.614) 10.783 14.377 ( -1.838 -1.039 1.388) 2.526 14.567 ( 1.373 -0.864 -4.502) 4.785 14.644 ( -3.163 0.316 10.981) 11.431 14.738 ( 5.519 -3.738 -10.999) 12.861 14.931 ( -5.379 -3.554 0.373) 6.457 15.035 ( -6.422 2.365 -3.953) 7.904 15.077 ( -5.386 1.502 -2.345) 6.063 15.506 ( -0.332 1.144 0.892) 1.488 15.565 ( -0.846 1.219 1.358) 2.011 15.576 ( -0.167 2.690 -0.682) 2.780 15.665 ( -2.794 2.255 0.704) 3.659 15.732 ( 2.140 3.249 2.348) 4.544 15.885 ( -2.780 0.982 -1.392) 3.260 15.921 ( 0.752 2.171 -1.445) 2.714 16.011 ( -0.654 4.409 -7.626) 8.833 16.186 ( 4.634 4.244 3.920) 7.406 16.276 ( 3.936 0.936 2.468) 4.739 16.319 ( 0.727 -1.326 0.694) 1.664 16.415 ( -1.217 -1.525 -3.241) 3.783 16.465 ( 2.394 -0.269 7.198) 7.591 16.706 ( -1.315 -3.027 -1.302) 3.548 16.764 ( -3.781 -4.864 -0.371) 6.172 16.802 ( 2.628 -12.544 0.541) 12.828 17.803 ( 12.686 -1.682 3.349) 13.228 17.924 ( 4.817 -1.158 6.581) 8.238 18.006 ( 12.258 -3.720 -3.554) 13.294 18.146 ( -2.089 -2.676 0.953) 3.526 18.224 ( -1.392 -3.129 -0.240) 3.433 18.241 ( -1.237 -2.984 1.440) 3.537 18.312 ( -1.514 -1.406 -0.531) 2.133 18.365 ( -0.038 0.522 -4.494) 4.524 18.599 ( 2.481 0.478 5.948) 6.462 18.819 ( 4.086 -2.383 -2.390) 5.300 18.891 ( 3.735 -1.576 8.137) 9.091 18.910 ( -6.652 -2.607 2.957) 7.732 19.120 ( -2.268 -6.441 -3.693) 7.764 19.233 ( -5.604 -12.880 14.841) 20.435 19.429 ( 2.352 -5.476 -9.048) 10.834 19.599 ( -3.694 -7.235 -2.149) 8.403 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -17.829 9.198 10.054) 22.440 1.264 ( 17.829 9.198 10.054) 22.440 1.302 ( -15.288 9.314 14.730) 23.183 1.302 ( 15.288 9.314 14.730) 23.183 1.844 ( -9.312 3.405 -16.651) 19.379 1.844 ( 9.312 3.405 -16.651) 19.379 2.050 ( -15.682 3.907 -15.586) 22.452 2.050 ( 15.682 3.907 -15.586) 22.452 2.355 ( -18.283 2.740 9.055) 20.585 2.355 ( 18.283 2.740 9.055) 20.585 2.382 ( -14.718 3.686 10.526) 18.467 2.382 ( 14.718 3.686 10.526) 18.467 2.557 ( -0.507 -0.267 8.386) 8.406 2.557 ( 0.507 -0.267 8.386) 8.406 2.640 ( -3.464 -3.707 8.576) 9.965 2.640 ( 3.464 -3.707 8.576) 9.965 2.798 ( -1.675 -0.451 -0.208) 1.747 2.798 ( 1.675 -0.451 -0.208) 1.747 2.879 ( -9.794 -3.135 1.561) 10.401 2.879 ( 9.794 -3.135 1.561) 10.401 2.930 ( -2.244 1.412 -0.234) 2.661 2.930 ( 2.244 1.412 -0.234) 2.661 3.127 ( -5.639 -2.944 -3.868) 7.444 3.127 ( 5.639 -2.944 -3.868) 7.444 3.206 ( -4.315 2.226 -3.354) 5.901 3.206 ( 4.315 2.226 -3.354) 5.901 3.259 ( -3.298 -3.413 -9.278) 10.422 3.259 ( 3.298 -3.413 -9.278) 10.422 3.341 ( -0.410 -3.645 4.390) 5.721 3.341 ( 0.410 -3.645 4.390) 5.721 3.401 ( -4.919 -2.948 0.566) 5.763 3.401 ( 4.919 -2.948 0.566) 5.763 3.473 ( -4.189 -1.080 -1.264) 4.507 3.473 ( 4.189 -1.080 -1.264) 4.507 3.564 ( -4.098 1.655 0.600) 4.460 3.564 ( 4.098 1.655 0.600) 4.460 3.638 ( -2.345 -1.009 2.124) 3.321 3.638 ( 2.345 -1.009 2.124) 3.321 3.694 ( -2.987 -0.462 0.254) 3.034 3.694 ( 2.987 -0.462 0.254) 3.034 3.805 ( -0.876 -1.355 -1.631) 2.294 3.805 ( 0.876 -1.355 -1.631) 2.294 3.916 ( -1.269 1.083 -1.305) 2.118 3.916 ( 1.269 1.083 -1.305) 2.118 3.981 ( -0.647 0.097 -1.403) 1.548 3.981 ( 0.647 0.097 -1.403) 1.548 4.029 ( -1.956 -2.412 -4.924) 5.822 4.029 ( 1.956 -2.412 -4.924) 5.822 4.070 ( -5.546 3.011 -4.142) 7.549 4.070 ( 5.546 3.011 -4.142) 7.549 4.140 ( -2.430 -3.873 -3.037) 5.489 4.140 ( 2.430 -3.873 -3.037) 5.489 4.396 ( -6.642 -2.621 -0.747) 7.179 4.396 ( 6.642 -2.621 -0.747) 7.179 4.458 ( -7.473 -1.225 -5.225) 9.200 4.458 ( 7.473 -1.225 -5.225) 9.200 4.751 ( -3.396 4.937 6.859) 9.108 4.751 ( 3.396 4.937 6.859) 9.108 4.935 ( -4.021 1.719 -0.305) 4.384 4.935 ( 4.021 1.719 -0.305) 4.384 5.012 ( -2.605 1.471 3.473) 4.584 5.012 ( 2.605 1.471 3.473) 4.584 5.140 ( -3.585 1.502 -0.617) 3.936 5.140 ( 3.585 1.502 -0.617) 3.936 5.403 ( -2.552 -4.626 3.164) 6.158 5.403 ( 2.552 -4.626 3.164) 6.158 5.452 ( -2.739 -7.056 2.603) 8.004 5.452 ( 2.739 -7.056 2.603) 8.004 5.777 ( -4.092 1.158 1.091) 4.391 5.777 ( 4.092 1.158 1.091) 4.391 5.890 ( -7.710 -5.775 -2.591) 9.976 5.890 ( 7.710 -5.775 -2.591) 9.976 7.748 ( -4.681 7.497 3.621) 9.552 7.748 ( 4.681 7.497 3.621) 9.552 7.804 ( -3.372 10.204 3.925) 11.441 7.804 ( 3.372 10.204 3.925) 11.441 8.053 ( -6.437 6.874 -0.887) 9.459 8.053 ( 6.437 6.874 -0.887) 9.459 8.284 ( -1.704 4.477 -7.181) 8.632 8.284 ( 1.704 4.477 -7.181) 8.632 8.506 ( -2.785 1.497 2.390) 3.964 8.506 ( 2.785 1.497 2.390) 3.964 8.660 ( -0.669 0.547 -1.385) 1.632 8.660 ( 0.669 0.547 -1.385) 1.632 8.856 ( -1.814 -1.128 2.006) 2.930 8.856 ( 1.814 -1.128 2.006) 2.930 8.970 ( -1.504 -3.003 1.578) 3.711 8.970 ( 1.504 -3.003 1.578) 3.711 9.020 ( -1.634 -0.097 -0.864) 1.851 9.020 ( 1.634 -0.097 -0.864) 1.851 9.246 ( -2.058 -0.889 -4.735) 5.239 9.246 ( 2.058 -0.889 -4.735) 5.239 9.410 ( -5.788 0.821 -1.261) 5.981 9.410 ( 5.788 0.821 -1.261) 5.981 9.456 ( -5.045 -1.473 -5.185) 7.383 9.456 ( 5.045 -1.473 -5.185) 7.383 9.712 ( -3.603 0.785 4.925) 6.153 9.712 ( 3.603 0.785 4.925) 6.153 9.790 ( -0.843 2.152 4.217) 4.809 9.790 ( 0.843 2.152 4.217) 4.809 9.907 ( -2.863 0.063 0.498) 2.907 9.907 ( 2.863 0.063 0.498) 2.907 10.059 ( -1.567 0.012 -4.436) 4.705 10.059 ( 1.567 0.012 -4.436) 4.705 10.225 ( -0.307 -2.187 2.436) 3.288 10.225 ( 0.307 -2.187 2.436) 3.288 10.344 ( -1.736 3.451 3.052) 4.923 10.344 ( 1.736 3.451 3.052) 4.923 10.399 ( -3.458 5.082 -2.236) 6.541 10.399 ( 3.458 5.082 -2.236) 6.541 10.573 ( -1.214 -1.752 -3.441) 4.048 10.573 ( 1.214 -1.752 -3.441) 4.048 10.691 ( -3.105 -0.371 -0.791) 3.226 10.691 ( 3.105 -0.371 -0.791) 3.226 10.767 ( -1.721 2.592 -2.300) 3.870 10.767 ( 1.721 2.592 -2.300) 3.870 11.232 ( -5.187 -5.020 -1.418) 7.356 11.232 ( 5.187 -5.020 -1.418) 7.356 11.289 ( -6.034 -2.782 -3.505) 7.513 11.289 ( 6.034 -2.782 -3.505) 7.513 11.609 ( -1.540 -0.451 7.047) 7.228 11.609 ( 1.540 -0.451 7.047) 7.228 11.878 ( -5.794 -1.391 -3.638) 6.982 11.878 ( 5.794 -1.391 -3.638) 6.982 12.177 ( -3.825 -1.291 2.867) 4.951 12.177 ( 3.825 -1.291 2.867) 4.951 12.199 ( -5.999 0.259 5.500) 8.143 12.199 ( 5.999 0.259 5.500) 8.143 12.330 ( -3.357 0.823 3.623) 5.007 12.330 ( 3.357 0.823 3.623) 5.007 12.671 ( -1.495 -1.311 -2.541) 3.226 12.671 ( 1.495 -1.311 -2.541) 3.226 12.999 ( -16.083 2.489 7.892) 18.087 12.999 ( 16.083 2.489 7.892) 18.087 13.391 ( -4.728 0.973 -7.929) 9.283 13.391 ( 4.728 0.973 -7.929) 9.283 13.478 ( -7.702 -0.951 4.526) 8.984 13.478 ( 7.702 -0.951 4.526) 8.984 13.904 ( -4.684 -0.267 -12.490) 13.342 13.904 ( 4.684 -0.267 -12.490) 13.342 14.255 ( -6.281 -1.140 7.356) 9.740 14.255 ( 6.281 -1.140 7.356) 9.740 14.590 ( -1.965 -0.289 0.769) 2.130 14.590 ( 1.965 -0.289 0.769) 2.130 14.862 ( -4.329 -2.874 -5.040) 7.239 14.862 ( 4.329 -2.874 -5.040) 7.239 14.969 ( -2.606 1.387 -2.762) 4.043 14.969 ( 2.606 1.387 -2.762) 4.043 15.520 ( -1.805 0.763 1.600) 2.530 15.520 ( 1.805 0.763 1.600) 2.530 15.607 ( -2.204 3.620 -1.483) 4.490 15.607 ( 2.204 3.620 -1.483) 4.490 15.795 ( -3.405 2.779 1.929) 4.800 15.795 ( 3.405 2.779 1.929) 4.800 15.985 ( -2.166 2.913 -6.988) 7.875 15.985 ( 2.166 2.913 -6.988) 7.875 16.276 ( -3.305 2.508 4.262) 5.948 16.276 ( 3.305 2.508 4.262) 5.948 16.364 ( -3.241 0.100 -0.226) 3.250 16.364 ( 3.241 0.100 -0.226) 3.250 16.568 ( -6.815 -4.501 4.181) 9.175 16.568 ( 6.815 -4.501 4.181) 9.175 16.797 ( -2.407 -3.869 -3.915) 6.007 16.797 ( 2.407 -3.869 -3.915) 6.007 18.029 ( -4.877 -3.052 5.235) 7.778 18.029 ( 4.877 -3.052 5.235) 7.778 18.071 ( -5.431 -1.520 4.915) 7.481 18.071 ( 5.431 -1.520 4.915) 7.481 18.206 ( -2.203 -4.286 -3.094) 5.727 18.206 ( 2.203 -4.286 -3.094) 5.727 18.336 ( -2.318 0.464 -3.704) 4.395 18.336 ( 2.318 0.464 -3.704) 4.395 18.729 ( -8.833 -1.071 3.928) 9.726 18.729 ( 8.833 -1.071 3.928) 9.726 18.920 ( -3.107 -2.231 0.543) 3.864 18.920 ( 3.107 -2.231 0.543) 3.864 19.115 ( -3.649 -8.524 5.637) 10.851 19.115 ( 3.649 -8.524 5.637) 10.851 19.507 ( -4.491 -5.975 -6.227) 9.729 19.507 ( 4.491 -5.975 -6.227) 9.729 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 19.406 8.949) 21.370 1.158 ( 0.000 18.306 13.412) 22.693 1.649 ( 0.000 8.767 -13.027) 15.703 1.791 ( 0.000 10.349 -15.202) 18.390 1.949 ( 0.000 23.584 13.608) 27.229 2.021 ( 0.000 7.565 10.985) 13.338 2.106 ( 0.000 -1.268 6.281) 6.408 2.159 ( 0.000 4.528 2.492) 5.168 2.236 ( 0.000 2.042 2.616) 3.319 2.290 ( 0.000 2.619 2.051) 3.327 2.322 ( 0.000 -4.647 -2.064) 5.084 2.369 ( 0.000 0.095 -0.165) 0.190 2.440 ( 0.000 -2.731 8.492) 8.921 2.484 ( 0.000 -4.760 2.520) 5.386 2.626 ( 0.000 4.381 -1.696) 4.698 2.638 ( 0.000 -3.547 7.792) 8.562 2.666 ( 0.000 0.490 -2.963) 3.003 2.774 ( 0.000 -1.012 -9.450) 9.504 2.851 ( 0.000 -1.201 -2.951) 3.185 2.914 ( 0.000 -1.014 -3.823) 3.955 2.977 ( 0.000 -3.474 0.321) 3.489 2.999 ( 0.000 1.700 -7.041) 7.243 3.036 ( 0.000 -3.129 -2.555) 4.040 3.112 ( 0.000 0.322 -4.404) 4.416 3.130 ( 0.000 -3.569 -1.517) 3.878 3.133 ( 0.000 -5.949 -6.756) 9.002 3.170 ( 0.000 -9.391 0.202) 9.393 3.205 ( 0.000 -8.830 3.810) 9.617 3.244 ( 0.000 0.230 7.383) 7.387 3.256 ( 0.000 -8.155 -2.161) 8.436 3.341 ( 0.000 -5.643 4.327) 7.111 3.357 ( 0.000 -1.763 -3.575) 3.986 3.387 ( 0.000 1.962 3.805) 4.281 3.475 ( 0.000 1.057 1.758) 2.051 3.508 ( 0.000 -6.223 3.831) 7.307 3.612 ( 0.000 -3.917 -8.252) 9.134 3.642 ( 0.000 -2.307 1.928) 3.006 3.660 ( 0.000 -6.152 1.612) 6.360 3.666 ( 0.000 1.321 2.733) 3.035 3.731 ( 0.000 -2.380 -4.691) 5.260 3.809 ( 0.000 -4.156 -0.858) 4.244 3.813 ( 0.000 0.038 -1.706) 1.706 3.867 ( 0.000 3.127 3.890) 4.991 3.937 ( 0.000 -6.171 -2.786) 6.771 3.978 ( 0.000 2.649 3.305) 4.236 3.978 ( 0.000 -0.251 3.081) 3.091 4.045 ( 0.000 2.158 -0.102) 2.160 4.095 ( 0.000 2.824 -0.609) 2.889 4.136 ( 0.000 6.065 -0.940) 6.137 4.154 ( 0.000 -1.212 -2.463) 2.745 4.190 ( 0.000 1.287 0.347) 1.333 4.286 ( 0.000 2.722 -8.992) 9.395 4.405 ( 0.000 5.456 -0.841) 5.520 4.490 ( 0.000 7.366 -0.940) 7.426 4.491 ( 0.000 -6.039 9.325) 11.110 4.595 ( 0.000 -1.713 0.412) 1.762 4.655 ( 0.000 3.113 0.908) 3.242 4.741 ( 0.000 1.770 -1.461) 2.295 4.859 ( 0.000 -4.343 -4.082) 5.960 4.938 ( 0.000 0.704 -6.118) 6.158 4.991 ( 0.000 -3.749 7.054) 7.988 5.046 ( 0.000 -2.404 4.272) 4.902 5.139 ( 0.000 -3.761 3.109) 4.879 5.167 ( 0.000 -1.016 -1.054) 1.464 5.223 ( 0.000 1.567 -2.743) 3.159 5.224 ( 0.000 -0.043 5.537) 5.537 5.265 ( 0.000 -2.239 -0.254) 2.253 5.294 ( 0.000 -6.927 0.403) 6.939 5.558 ( 0.000 -1.628 3.105) 3.506 5.754 ( 0.000 4.444 -3.341) 5.560 5.866 ( 0.000 -1.236 0.781) 1.462 5.887 ( 0.000 -8.011 -0.317) 8.017 7.859 ( 0.000 13.181 2.439) 13.405 7.957 ( 0.000 12.339 0.404) 12.346 8.078 ( 0.000 14.290 4.675) 15.035 8.122 ( 0.000 7.706 2.933) 8.245 8.157 ( 0.000 12.737 3.547) 13.221 8.282 ( 0.000 3.225 -2.450) 4.050 8.322 ( 0.000 4.058 -3.402) 5.295 8.372 ( 0.000 2.391 -4.227) 4.857 8.549 ( 0.000 4.843 1.310) 5.018 8.609 ( 0.000 -0.817 3.410) 3.507 8.622 ( 0.000 0.916 0.377) 0.990 8.684 ( 0.000 1.414 0.551) 1.518 8.791 ( 0.000 -3.147 1.067) 3.322 8.811 ( 0.000 -5.172 6.192) 8.067 8.840 ( 0.000 3.208 2.421) 4.019 8.843 ( 0.000 -5.790 -0.209) 5.794 8.957 ( 0.000 -5.877 2.955) 6.578 9.135 ( 0.000 0.287 -1.690) 1.714 9.166 ( 0.000 0.731 -7.917) 7.951 9.211 ( 0.000 -5.764 -2.685) 6.359 9.246 ( 0.000 -2.029 -9.287) 9.506 9.335 ( 0.000 -3.537 -12.143) 12.647 9.483 ( 0.000 -2.939 -0.701) 3.021 9.550 ( 0.000 -4.903 -0.983) 5.001 9.657 ( 0.000 5.577 2.009) 5.928 9.784 ( 0.000 -0.011 3.801) 3.801 9.836 ( 0.000 -1.133 4.157) 4.308 9.852 ( 0.000 -0.924 -1.627) 1.871 10.018 ( 0.000 2.204 3.032) 3.748 10.048 ( 0.000 -3.165 0.932) 3.300 10.090 ( 0.000 -0.333 -1.360) 1.400 10.094 ( 0.000 2.313 -5.461) 5.930 10.222 ( 0.000 5.382 -2.024) 5.750 10.233 ( 0.000 -0.458 -2.975) 3.010 10.287 ( 0.000 6.144 7.454) 9.660 10.322 ( 0.000 -7.008 7.713) 10.421 10.448 ( 0.000 -1.582 3.655) 3.983 10.551 ( 0.000 -3.340 3.981) 5.196 10.558 ( 0.000 -4.714 1.709) 5.015 10.653 ( 0.000 -1.649 5.634) 5.871 10.662 ( 0.000 9.780 3.919) 10.535 10.725 ( 0.000 -3.202 -2.377) 3.988 10.862 ( 0.000 -5.227 -7.432) 9.086 11.012 ( 0.000 0.543 -9.198) 9.214 11.019 ( 0.000 3.217 -5.369) 6.259 11.154 ( 0.000 -9.298 -4.775) 10.452 11.206 ( 0.000 3.190 -11.313) 11.754 11.390 ( 0.000 -7.368 -4.440) 8.602 11.555 ( 0.000 -3.290 1.859) 3.779 11.703 ( 0.000 -1.725 2.903) 3.377 11.723 ( 0.000 -2.833 -0.137) 2.836 11.843 ( 0.000 0.155 -4.020) 4.023 11.887 ( 0.000 -4.363 17.967) 18.489 12.019 ( 0.000 -3.147 -2.430) 3.976 12.109 ( 0.000 6.510 -9.674) 11.661 12.210 ( 0.000 1.447 5.688) 5.869 12.361 ( 0.000 -0.437 -2.989) 3.020 12.407 ( 0.000 -0.752 11.906) 11.930 12.763 ( 0.000 3.660 -3.744) 5.235 12.786 ( 0.000 0.736 -6.865) 6.905 12.952 ( 0.000 11.528 -18.296) 21.625 13.113 ( 0.000 4.085 -1.063) 4.221 13.304 ( 0.000 5.812 -9.262) 10.934 13.336 ( 0.000 5.636 -2.921) 6.348 13.581 ( 0.000 2.083 2.062) 2.931 13.616 ( 0.000 -5.322 7.038) 8.824 13.809 ( 0.000 -3.332 -10.330) 10.854 14.119 ( 0.000 -6.662 8.635) 10.906 14.176 ( 0.000 1.283 4.539) 4.717 14.381 ( 0.000 0.704 -3.170) 3.247 14.416 ( 0.000 -3.645 -9.219) 9.914 14.586 ( 0.000 -4.237 -4.382) 6.095 14.700 ( 0.000 -0.079 12.407) 12.408 14.975 ( 0.000 -5.335 13.361) 14.386 15.117 ( 0.000 1.271 -5.387) 5.535 15.222 ( 0.000 1.765 -3.162) 3.621 15.554 ( 0.000 2.234 1.765) 2.847 15.601 ( 0.000 0.526 4.181) 4.214 15.638 ( 0.000 4.516 -1.052) 4.637 15.717 ( 0.000 3.592 2.757) 4.528 15.808 ( 0.000 1.254 -4.212) 4.395 15.861 ( 0.000 3.254 1.854) 3.745 16.051 ( 0.000 -7.958 18.827) 20.440 16.066 ( 0.000 0.421 -3.518) 3.543 16.159 ( 0.000 5.115 -6.587) 8.339 16.166 ( 0.000 -2.299 4.624) 5.164 16.271 ( 0.000 1.450 -2.076) 2.532 16.364 ( 0.000 -6.699 2.898) 7.299 16.443 ( 0.000 5.767 -2.630) 6.339 16.518 ( 0.000 3.365 7.104) 7.861 16.643 ( 0.000 -10.096 -3.648) 10.735 16.726 ( 0.000 1.709 -2.334) 2.893 17.659 ( 0.000 2.233 2.457) 3.320 17.808 ( 0.000 1.665 -3.208) 3.614 17.866 ( 0.000 -0.429 5.385) 5.402 18.119 ( 0.000 -2.555 -4.852) 5.484 18.155 ( 0.000 -4.482 5.433) 7.043 18.211 ( 0.000 -1.423 3.016) 3.335 18.285 ( 0.000 -1.696 0.354) 1.733 18.385 ( 0.000 1.525 -4.707) 4.948 18.607 ( 0.000 1.042 5.508) 5.606 18.774 ( 0.000 -3.157 7.910) 8.517 18.783 ( 0.000 0.080 -2.102) 2.104 18.915 ( 0.000 -2.909 1.216) 3.153 19.000 ( 0.000 -7.950 -1.904) 8.175 19.060 ( 0.000 -7.592 10.005) 12.560 19.242 ( 0.000 -9.707 -7.131) 12.045 19.434 ( 0.000 -11.083 -2.480) 11.357 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 8.329 16.200 12.879) 22.309 1.288 ( 13.927 17.160 9.181) 23.931 1.774 ( -10.135 6.233 6.666) 13.638 1.807 ( 8.537 8.298 -9.220) 15.058 1.841 ( -7.014 10.060 -1.535) 12.360 1.874 ( -1.230 9.331 -5.981) 11.152 2.070 ( 2.627 12.088 1.770) 12.496 2.197 ( 6.425 11.045 7.678) 14.907 2.240 ( -0.755 1.797 -2.364) 3.064 2.357 ( 0.687 -2.792 -3.763) 4.736 2.384 ( -1.184 -2.762 7.730) 8.294 2.427 ( 3.595 -1.827 5.138) 6.532 2.472 ( 8.916 -2.051 4.980) 10.416 2.558 ( 4.612 0.379 1.873) 4.992 2.618 ( -0.918 1.497 4.946) 5.248 2.652 ( 0.253 -1.570 3.756) 4.079 2.700 ( 1.558 -1.255 -0.541) 2.072 2.774 ( -1.349 -0.698 -3.716) 4.014 2.855 ( -2.617 -1.692 -3.494) 4.682 2.870 ( -0.723 -2.779 -5.790) 6.463 2.934 ( 5.617 -1.374 -0.191) 5.786 3.021 ( -6.995 -2.071 -1.107) 7.379 3.039 ( -2.752 -5.600 -3.375) 7.094 3.072 ( -2.209 -3.592 -2.499) 4.902 3.116 ( -0.565 -5.861 -1.274) 6.024 3.149 ( -1.670 -8.334 -3.293) 9.115 3.164 ( 4.204 -6.231 -0.847) 7.564 3.219 ( 0.615 -0.682 -1.990) 2.191 3.227 ( -0.217 -4.440 -1.101) 4.579 3.270 ( 3.781 -3.479 -0.169) 5.141 3.344 ( -2.037 -3.731 2.441) 4.902 3.368 ( 1.902 -0.316 3.225) 3.757 3.480 ( -0.028 -2.565 5.237) 5.832 3.521 ( 3.118 0.882 -1.980) 3.797 3.527 ( -2.149 -2.002 -2.317) 3.741 3.554 ( 3.715 -2.446 4.326) 6.205 3.584 ( -3.909 -0.579 1.987) 4.423 3.624 ( -2.186 -1.655 1.460) 3.106 3.640 ( -2.381 -1.816 2.741) 4.060 3.746 ( -0.194 -3.153 -3.268) 4.546 3.755 ( -1.409 -2.557 0.434) 2.952 3.819 ( 1.008 1.108 1.117) 1.869 3.838 ( -1.544 -1.597 -2.349) 3.233 3.927 ( -1.295 -1.762 0.226) 2.198 3.964 ( 1.179 0.010 0.826) 1.440 4.026 ( 0.163 0.676 1.722) 1.858 4.051 ( 0.019 2.779 1.530) 3.172 4.079 ( -1.301 2.106 -2.616) 3.602 4.100 ( -3.417 2.111 -2.433) 4.696 4.136 ( -2.429 4.591 -4.649) 6.970 4.168 ( -2.277 4.732 -2.558) 5.842 4.248 ( -1.203 -0.629 -3.530) 3.782 4.358 ( -0.227 3.473 -4.740) 5.880 4.393 ( -5.102 6.846 -6.085) 10.485 4.458 ( -2.390 -6.340 1.324) 6.904 4.516 ( -5.593 -0.409 -3.314) 6.514 4.757 ( 4.741 4.348 2.702) 6.977 4.788 ( 5.604 -0.077 1.794) 5.885 4.865 ( 1.304 -2.136 5.399) 5.951 5.004 ( -1.545 -1.490 2.498) 3.294 5.029 ( 1.658 -0.946 0.924) 2.121 5.083 ( 1.899 -2.714 4.465) 5.559 5.106 ( -2.543 0.973 1.877) 3.307 5.187 ( 2.069 -3.916 2.442) 5.058 5.192 ( 2.199 -3.388 -3.730) 5.498 5.242 ( 2.586 -5.738 -0.421) 6.308 5.299 ( 0.152 -5.286 1.545) 5.509 5.330 ( 1.823 -0.811 0.858) 2.172 5.622 ( 5.328 -3.569 1.989) 6.714 5.771 ( 1.677 3.553 -3.121) 5.018 5.842 ( -3.386 -8.828 0.226) 9.457 5.859 ( -1.334 0.886 -0.288) 1.627 7.874 ( 1.473 11.351 2.859) 11.798 7.964 ( -0.166 9.778 2.235) 10.032 8.033 ( -1.760 11.459 1.080) 11.643 8.107 ( -1.979 12.662 2.936) 13.148 8.193 ( 2.664 12.186 3.000) 12.830 8.285 ( -1.730 5.909 -2.359) 6.593 8.318 ( 2.281 3.824 -1.506) 4.701 8.395 ( 0.323 3.076 -3.439) 4.626 8.541 ( -0.017 4.091 1.841) 4.486 8.585 ( -1.314 1.568 1.148) 2.346 8.639 ( 1.161 0.315 0.195) 1.219 8.688 ( 0.048 1.066 -0.224) 1.091 8.808 ( 1.151 -1.978 1.574) 2.777 8.824 ( 0.475 -3.354 3.136) 4.616 8.852 ( 1.732 -2.337 3.808) 4.791 8.890 ( 2.523 -3.570 0.092) 4.372 8.949 ( -0.052 -4.803 2.891) 5.607 9.109 ( -4.493 0.307 -5.953) 7.464 9.160 ( 2.486 -0.304 -1.227) 2.788 9.230 ( 0.143 -3.781 -5.064) 6.322 9.273 ( 3.780 -3.912 -5.949) 8.061 9.317 ( -1.042 -3.958 -10.653) 11.412 9.453 ( -3.093 -4.271 -1.290) 5.429 9.515 ( -3.428 -5.019 -1.350) 6.226 9.688 ( 2.729 5.137 1.810) 6.092 9.783 ( -0.636 0.261 3.574) 3.640 9.810 ( -0.751 -0.685 -0.305) 1.061 9.856 ( -0.418 1.265 4.561) 4.751 9.988 ( -2.818 -0.631 -0.560) 2.942 10.010 ( -2.375 2.444 1.144) 3.595 10.061 ( -1.572 0.343 -2.586) 3.046 10.105 ( -0.571 3.446 -3.926) 5.255 10.199 ( -1.032 0.123 0.284) 1.078 10.244 ( -0.732 2.348 3.186) 4.024 10.286 ( 2.442 0.843 -0.274) 2.598 10.322 ( -0.124 -6.062 6.313) 8.753 10.409 ( -3.189 -0.741 7.264) 7.968 10.526 ( -1.354 -2.945 0.043) 3.242 10.541 ( -0.891 -2.207 -0.902) 2.545 10.627 ( -0.002 4.472 5.083) 6.770 10.686 ( 1.655 5.187 0.597) 5.478 10.762 ( -1.787 -3.367 -3.399) 5.107 10.864 ( -1.832 -1.008 -1.123) 2.374 10.925 ( -2.945 1.378 -9.605) 10.140 11.064 ( 1.167 -1.390 -4.874) 5.201 11.101 ( 1.080 0.731 -4.964) 5.132 11.156 ( -0.161 -6.932 -4.867) 8.471 11.435 ( -6.849 2.425 -8.474) 11.162 11.557 ( 4.101 -3.718 2.554) 6.096 11.682 ( -4.824 0.928 0.608) 4.950 11.733 ( 2.608 -3.829 -1.366) 4.830 11.883 ( 3.581 -2.551 0.215) 4.402 12.000 ( 8.290 -1.202 9.336) 12.543 12.019 ( 1.416 -3.154 0.335) 3.474 12.193 ( 3.729 0.906 0.556) 3.877 12.232 ( 3.894 1.128 2.800) 4.927 12.348 ( -3.954 0.578 7.057) 8.110 12.365 ( -0.559 -0.391 1.133) 1.323 12.692 ( -4.563 -0.357 -2.952) 5.447 12.713 ( -5.960 3.128 -3.816) 7.737 12.900 ( 2.241 7.638 -2.120) 8.238 13.197 ( 7.073 2.257 0.267) 7.429 13.324 ( 1.246 3.492 -7.083) 7.995 13.372 ( -4.807 3.423 1.842) 6.182 13.536 ( -2.724 0.267 1.336) 3.046 13.585 ( -3.033 -2.118 3.931) 5.398 13.808 ( 0.264 -3.227 -9.100) 9.659 13.969 ( -3.489 -1.101 -8.630) 9.373 14.171 ( -0.938 -1.533 10.053) 10.212 14.343 ( -3.325 -1.872 0.718) 3.883 14.545 ( 2.944 -1.031 -5.138) 6.011 14.654 ( 3.069 -1.068 7.647) 8.309 14.661 ( 1.139 -1.726 -5.089) 5.493 14.842 ( -5.383 -4.533 6.282) 9.433 15.080 ( -5.244 1.733 -5.202) 7.587 15.105 ( -7.289 0.944 -3.285) 8.051 15.542 ( -0.597 2.101 2.132) 3.052 15.581 ( -1.631 0.898 3.604) 4.057 15.661 ( 1.455 4.590 -2.740) 5.541 15.728 ( -0.801 3.580 -0.305) 3.681 15.815 ( 1.903 4.291 1.387) 4.895 15.907 ( -0.846 0.942 -0.165) 1.277 15.964 ( 2.388 1.630 0.488) 2.932 16.114 ( -1.397 4.536 -7.472) 8.852 16.196 ( 3.941 -5.527 4.024) 7.891 16.259 ( 4.970 -0.253 3.259) 5.949 16.326 ( 2.032 -1.004 0.369) 2.297 16.373 ( 0.647 -0.322 4.027) 4.091 16.500 ( -0.649 2.832 7.206) 7.769 16.566 ( -2.373 -6.027 -2.253) 6.858 16.604 ( 7.274 -3.381 -1.845) 8.231 16.742 ( 0.770 0.473 -2.946) 3.081 17.773 ( 9.081 -0.778 2.506) 9.452 17.897 ( 3.820 -1.076 3.559) 5.331 17.932 ( 8.346 -2.871 -1.324) 8.925 18.094 ( -2.716 -2.123 2.905) 4.508 18.122 ( -2.784 -5.358 0.586) 6.066 18.197 ( -2.181 -2.346 2.573) 4.109 18.295 ( 1.593 -0.153 -2.025) 2.581 18.379 ( -0.868 0.655 -5.033) 5.150 18.616 ( 1.792 1.179 4.911) 5.359 18.766 ( 1.563 -2.371 0.937) 2.990 18.847 ( -1.941 -2.770 2.852) 4.424 18.853 ( 0.401 -1.882 3.685) 4.157 18.959 ( -3.564 -8.110 -2.187) 9.125 19.036 ( -2.572 -6.650 10.218) 12.459 19.271 ( 2.672 -9.189 -7.588) 12.213 19.408 ( -2.362 -10.354 -3.557) 11.200 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -12.087 11.436 12.720) 20.944 1.485 ( 12.087 11.436 12.720) 20.944 1.568 ( -10.720 15.014 8.213) 20.194 1.568 ( 10.720 15.014 8.213) 20.194 1.953 ( -7.087 6.926 -11.299) 15.028 1.953 ( 7.087 6.926 -11.299) 15.028 2.151 ( -11.907 5.259 -12.261) 17.882 2.151 ( 11.907 5.259 -12.261) 17.882 2.335 ( -2.446 -1.880 6.105) 6.840 2.335 ( 2.446 -1.880 6.105) 6.840 2.499 ( -3.005 1.507 8.013) 8.690 2.499 ( 3.005 1.507 8.013) 8.690 2.562 ( -3.747 0.695 6.320) 7.380 2.562 ( 3.747 0.695 6.320) 7.380 2.618 ( -9.093 3.628 5.452) 11.206 2.618 ( 9.093 3.628 5.452) 11.206 2.767 ( -6.643 -3.520 -1.776) 7.726 2.767 ( 6.643 -3.520 -1.776) 7.726 2.811 ( -3.909 -2.005 -2.418) 5.015 2.811 ( 3.909 -2.005 -2.418) 5.015 2.916 ( -3.920 -3.092 -2.036) 5.392 2.916 ( 3.920 -3.092 -2.036) 5.392 3.045 ( -1.109 -4.068 -5.208) 6.700 3.045 ( 1.109 -4.068 -5.208) 6.700 3.131 ( -1.381 -7.203 0.395) 7.345 3.131 ( 1.381 -7.203 0.395) 7.345 3.210 ( -2.641 -2.678 -1.629) 4.099 3.210 ( 2.641 -2.678 -1.629) 4.099 3.267 ( -2.703 -4.229 -0.195) 5.022 3.267 ( 2.703 -4.229 -0.195) 5.022 3.362 ( -1.115 -2.473 3.194) 4.191 3.362 ( 1.115 -2.473 3.194) 4.191 3.453 ( -4.946 -0.169 1.283) 5.113 3.453 ( 4.946 -0.169 1.283) 5.113 3.578 ( -0.613 -0.035 0.239) 0.659 3.578 ( 0.613 -0.035 0.239) 0.659 3.610 ( -1.154 -2.772 1.171) 3.223 3.610 ( 1.154 -2.772 1.171) 3.223 3.660 ( -5.647 -1.433 3.628) 6.863 3.660 ( 5.647 -1.433 3.628) 6.863 3.779 ( -3.198 -0.739 -0.117) 3.285 3.779 ( 3.198 -0.739 -0.117) 3.285 3.897 ( -3.297 -1.347 -1.525) 3.875 3.897 ( 3.297 -1.347 -1.525) 3.875 3.986 ( -1.635 3.276 -0.378) 3.681 3.986 ( 1.635 3.276 -0.378) 3.681 4.055 ( -1.916 -1.465 -3.511) 4.260 4.055 ( 1.916 -1.465 -3.511) 4.260 4.086 ( -0.912 4.293 -4.574) 6.340 4.086 ( 0.912 4.293 -4.574) 6.340 4.171 ( -4.335 4.102 -1.858) 6.251 4.171 ( 4.335 4.102 -1.858) 6.251 4.364 ( -2.284 0.273 -4.140) 4.736 4.364 ( 2.284 0.273 -4.140) 4.736 4.435 ( -2.893 -0.176 -7.143) 7.709 4.435 ( 2.893 -0.176 -7.143) 7.709 4.847 ( -2.458 3.119 7.307) 8.317 4.847 ( 2.458 3.119 7.307) 8.317 4.930 ( -5.413 -2.323 4.410) 7.358 4.930 ( 5.413 -2.323 4.410) 7.358 5.037 ( -1.514 -0.587 2.303) 2.818 5.037 ( 1.514 -0.587 2.303) 2.818 5.142 ( -2.568 -2.096 0.309) 3.329 5.142 ( 2.568 -2.096 0.309) 3.329 5.269 ( -2.708 -7.379 1.956) 8.099 5.269 ( 2.708 -7.379 1.956) 8.099 5.335 ( -2.274 -2.748 -1.651) 3.930 5.335 ( 2.274 -2.748 -1.651) 3.930 5.741 ( -5.374 -6.887 0.954) 8.788 5.741 ( 5.374 -6.887 0.954) 8.788 5.821 ( -2.329 2.280 -1.821) 3.733 5.821 ( 2.329 2.280 -1.821) 3.733 7.921 ( -2.747 8.266 3.632) 9.438 7.921 ( 2.747 8.266 3.632) 9.438 8.053 ( -2.553 12.543 0.292) 12.803 8.053 ( 2.553 12.543 0.292) 12.803 8.247 ( -2.103 10.804 1.002) 11.052 8.247 ( 2.103 10.804 1.002) 11.052 8.369 ( -2.244 3.502 -1.560) 4.443 8.369 ( 2.244 3.502 -1.560) 4.443 8.560 ( -1.275 3.708 -0.090) 3.922 8.560 ( 1.275 3.708 -0.090) 3.922 8.669 ( -1.555 0.352 -0.309) 1.624 8.669 ( 1.555 0.352 -0.309) 1.624 8.828 ( -0.613 -1.401 2.022) 2.535 8.828 ( 0.613 -1.401 2.022) 2.535 8.887 ( -1.408 -4.661 3.179) 5.815 8.887 ( 1.408 -4.661 3.179) 5.815 9.008 ( -4.450 -1.089 -1.647) 4.868 9.008 ( 4.450 -1.089 -1.647) 4.868 9.218 ( -1.577 -2.048 -5.003) 5.631 9.218 ( 1.577 -2.048 -5.003) 5.631 9.329 ( -2.347 -5.535 -3.648) 7.032 9.329 ( 2.347 -5.535 -3.648) 7.032 9.420 ( -4.026 -4.806 -3.897) 7.382 9.420 ( 4.026 -4.806 -3.897) 7.382 9.747 ( -2.394 2.007 2.558) 4.038 9.747 ( 2.394 2.007 2.558) 4.038 9.829 ( -2.060 2.017 2.825) 4.036 9.829 ( 2.060 2.017 2.825) 4.036 9.959 ( -1.475 2.693 0.068) 3.071 9.959 ( 1.475 2.693 0.068) 3.071 10.068 ( -2.078 1.761 -3.567) 4.488 10.068 ( 2.078 1.761 -3.567) 4.488 10.195 ( -1.219 -0.582 3.850) 4.080 10.195 ( 1.219 -0.582 3.850) 4.080 10.338 ( -2.461 -3.169 7.149) 8.198 10.338 ( 2.461 -3.169 7.149) 8.198 10.457 ( -8.525 0.385 -4.872) 9.827 10.457 ( 8.525 0.385 -4.872) 9.827 10.542 ( -2.345 -0.980 -0.779) 2.658 10.542 ( 2.345 -0.980 -0.779) 2.658 10.736 ( -2.352 2.982 0.196) 3.803 10.736 ( 2.352 2.982 0.196) 3.803 10.862 ( -4.097 4.627 -3.605) 7.155 10.862 ( 4.097 4.627 -3.605) 7.155 11.106 ( -3.236 -6.113 -4.226) 8.105 11.106 ( 3.236 -6.113 -4.226) 8.105 11.251 ( -8.828 1.143 -5.673) 10.556 11.251 ( 8.828 1.143 -5.673) 10.556 11.603 ( -1.887 -0.018 5.424) 5.743 11.603 ( 1.887 -0.018 5.424) 5.743 11.832 ( -5.689 -2.887 -4.455) 7.781 11.832 ( 5.689 -2.887 -4.455) 7.781 12.121 ( -3.694 -3.651 5.073) 7.260 12.121 ( 3.694 -3.651 5.073) 7.260 12.217 ( -5.224 1.169 7.846) 9.498 12.217 ( 5.224 1.169 7.846) 9.498 12.352 ( -3.369 0.978 -0.239) 3.517 12.352 ( 3.369 0.978 -0.239) 3.517 12.639 ( -0.759 -1.416 -2.145) 2.679 12.639 ( 0.759 -1.416 -2.145) 2.679 13.069 ( -12.891 4.020 7.119) 15.265 13.069 ( 12.891 4.020 7.119) 15.265 13.409 ( -8.263 0.068 -2.073) 8.519 13.409 ( 8.263 0.068 -2.073) 8.519 13.460 ( -7.213 -0.137 -0.787) 7.257 13.460 ( 7.213 -0.137 -0.787) 7.257 13.893 ( -5.302 -0.784 -13.009) 14.070 13.893 ( 5.302 -0.784 -13.009) 14.070 14.222 ( -5.814 -1.902 8.075) 10.131 14.222 ( 5.814 -1.902 8.075) 10.131 14.589 ( -2.471 0.305 2.351) 3.424 14.589 ( 2.471 0.305 2.351) 3.424 14.793 ( -2.889 -3.582 -4.778) 6.633 14.793 ( 2.889 -3.582 -4.778) 6.633 14.998 ( -1.178 1.236 -3.740) 4.111 14.998 ( 1.178 1.236 -3.740) 4.111 15.547 ( -1.117 1.606 2.708) 3.341 15.547 ( 1.117 1.606 2.708) 3.341 15.695 ( -1.737 4.553 -2.763) 5.602 15.695 ( 1.737 4.553 -2.763) 5.602 15.863 ( -2.148 3.282 2.590) 4.701 15.863 ( 2.148 3.282 2.590) 4.701 16.056 ( -4.014 3.427 -6.599) 8.450 16.056 ( 4.014 3.427 -6.599) 8.450 16.273 ( -2.898 -3.588 3.388) 5.723 16.273 ( 2.898 -3.588 3.388) 5.723 16.382 ( -2.744 0.523 0.911) 2.938 16.382 ( 2.744 0.523 0.911) 2.938 16.488 ( -1.535 -0.879 5.304) 5.591 16.488 ( 1.535 -0.879 5.304) 5.591 16.732 ( -2.506 -1.533 -3.420) 4.509 16.732 ( 2.506 -1.533 -3.420) 4.509 17.954 ( -4.447 -3.755 2.721) 6.425 17.954 ( 4.447 -3.755 2.721) 6.425 18.018 ( -4.458 -3.438 3.058) 6.406 18.018 ( 4.458 -3.438 3.058) 6.406 18.121 ( -4.986 -3.190 0.983) 6.000 18.121 ( 4.986 -3.190 0.983) 6.000 18.343 ( -2.367 0.188 -4.498) 5.087 18.343 ( 2.367 0.188 -4.498) 5.087 18.710 ( -6.526 -0.462 2.749) 7.097 18.710 ( 6.526 -0.462 2.749) 7.097 18.846 ( -5.022 -4.679 -0.942) 6.928 18.846 ( 5.022 -4.679 -0.942) 6.928 18.957 ( -4.254 -5.574 7.429) 10.215 18.957 ( 4.254 -5.574 7.429) 10.215 19.342 ( -3.576 -9.233 -5.922) 11.537 19.342 ( 3.576 -9.233 -5.922) 11.537 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 17.789 4.465) 18.341 1.519 ( 0.000 15.929 10.534) 19.097 1.841 ( 0.000 9.201 -8.584) 12.584 1.996 ( 0.000 -1.596 -0.405) 1.647 2.021 ( 0.000 -7.152 8.807) 11.345 2.042 ( 0.000 9.821 -8.505) 12.992 2.184 ( 0.000 -5.497 -4.974) 7.413 2.275 ( 0.000 4.828 3.946) 6.235 2.303 ( 0.000 2.006 -0.793) 2.157 2.330 ( 0.000 2.369 4.839) 5.388 2.378 ( 0.000 0.885 8.940) 8.984 2.420 ( 0.000 2.495 1.327) 2.826 2.425 ( 0.000 7.524 2.744) 8.009 2.583 ( 0.000 16.197 4.595) 16.836 2.617 ( 0.000 5.408 8.667) 10.216 2.635 ( 0.000 -4.163 0.034) 4.163 2.660 ( 0.000 -3.285 -5.867) 6.725 2.737 ( 0.000 -2.411 -4.025) 4.692 2.790 ( 0.000 -10.488 -2.684) 10.826 2.827 ( 0.000 -1.729 -4.479) 4.802 2.892 ( 0.000 -4.212 -1.437) 4.450 2.938 ( 0.000 -5.339 -2.767) 6.013 2.948 ( 0.000 -4.769 1.066) 4.886 2.970 ( 0.000 -4.774 1.218) 4.927 3.031 ( 0.000 -3.785 1.863) 4.218 3.066 ( 0.000 -1.115 -0.733) 1.334 3.110 ( 0.000 -3.838 -1.104) 3.994 3.136 ( 0.000 1.840 -5.755) 6.042 3.167 ( 0.000 -9.698 5.207) 11.008 3.172 ( 0.000 0.394 -2.686) 2.715 3.253 ( 0.000 -0.411 4.097) 4.118 3.314 ( 0.000 -2.129 -4.075) 4.598 3.399 ( 0.000 -5.539 -0.472) 5.559 3.407 ( 0.000 -0.911 5.364) 5.441 3.473 ( 0.000 -3.698 -2.533) 4.483 3.514 ( 0.000 0.724 -5.034) 5.086 3.525 ( 0.000 -4.191 -1.494) 4.450 3.589 ( 0.000 -2.876 2.737) 3.971 3.681 ( 0.000 -1.344 -2.332) 2.691 3.716 ( 0.000 -3.892 -1.501) 4.171 3.719 ( 0.000 0.784 1.235) 1.463 3.824 ( 0.000 -3.843 0.069) 3.843 3.887 ( 0.000 -0.268 -2.325) 2.340 3.911 ( 0.000 -1.823 -0.650) 1.935 3.955 ( 0.000 7.050 2.891) 7.620 4.030 ( 0.000 1.485 4.804) 5.028 4.070 ( 0.000 4.143 5.464) 6.857 4.153 ( 0.000 2.735 0.909) 2.882 4.216 ( 0.000 5.249 1.504) 5.460 4.269 ( 0.000 6.286 2.888) 6.918 4.291 ( 0.000 4.532 1.146) 4.675 4.309 ( 0.000 -2.662 -6.225) 6.771 4.379 ( 0.000 -1.226 7.790) 7.886 4.426 ( 0.000 0.934 5.016) 5.102 4.649 ( 0.000 3.548 -3.848) 5.234 4.674 ( 0.000 6.572 -3.443) 7.419 4.710 ( 0.000 -4.287 0.349) 4.301 4.753 ( 0.000 3.513 -1.673) 3.891 4.762 ( 0.000 -3.320 -2.581) 4.206 4.913 ( 0.000 -0.178 -4.869) 4.872 4.968 ( 0.000 -5.174 -1.572) 5.407 4.975 ( 0.000 -3.872 -0.139) 3.874 5.047 ( 0.000 -0.877 -3.426) 3.536 5.048 ( 0.000 -7.428 0.316) 7.435 5.155 ( 0.000 -5.005 2.793) 5.731 5.181 ( 0.000 -3.297 -3.116) 4.536 5.222 ( 0.000 -1.265 0.865) 1.532 5.262 ( 0.000 -0.364 -3.358) 3.378 5.559 ( 0.000 1.971 8.307) 8.538 5.719 ( 0.000 -5.674 5.013) 7.571 5.840 ( 0.000 3.474 -3.563) 4.977 5.889 ( 0.000 0.832 -2.100) 2.259 8.077 ( 0.000 7.530 4.311) 8.677 8.183 ( 0.000 8.738 4.192) 9.692 8.236 ( 0.000 0.173 1.856) 1.864 8.311 ( 0.000 9.497 -1.415) 9.602 8.338 ( 0.000 2.798 2.318) 3.633 8.398 ( 0.000 5.859 -1.283) 5.997 8.427 ( 0.000 5.403 -2.695) 6.038 8.500 ( 0.000 10.984 -2.217) 11.206 8.581 ( 0.000 -1.921 2.867) 3.451 8.638 ( 0.000 0.495 2.291) 2.344 8.663 ( 0.000 0.902 2.545) 2.700 8.718 ( 0.000 -2.547 1.180) 2.807 8.724 ( 0.000 -1.376 1.756) 2.231 8.737 ( 0.000 2.270 2.206) 3.165 8.787 ( 0.000 4.587 -1.202) 4.742 8.860 ( 0.000 -1.173 5.196) 5.327 8.936 ( 0.000 4.976 -0.090) 4.977 9.032 ( 0.000 -8.211 0.274) 8.216 9.138 ( 0.000 -2.944 -9.968) 10.394 9.158 ( 0.000 -0.911 -2.272) 2.448 9.196 ( 0.000 -5.493 -9.776) 11.214 9.261 ( 0.000 -0.487 -10.229) 10.240 9.386 ( 0.000 -6.199 -0.194) 6.202 9.390 ( 0.000 -8.994 -0.008) 8.994 9.794 ( 0.000 1.451 -0.750) 1.633 9.810 ( 0.000 5.445 -3.621) 6.540 9.814 ( 0.000 -0.905 2.808) 2.951 9.850 ( 0.000 2.951 1.894) 3.506 9.987 ( 0.000 -2.888 1.633) 3.317 10.030 ( 0.000 -0.393 0.945) 1.023 10.070 ( 0.000 -3.596 0.390) 3.617 10.166 ( 0.000 -5.791 0.435) 5.808 10.169 ( 0.000 4.989 4.197) 6.520 10.202 ( 0.000 -1.030 7.632) 7.701 10.338 ( 0.000 6.090 -2.940) 6.763 10.409 ( 0.000 -7.427 4.067) 8.468 10.413 ( 0.000 -4.851 7.731) 9.127 10.448 ( 0.000 7.630 -0.814) 7.674 10.464 ( 0.000 -0.275 -4.231) 4.240 10.625 ( 0.000 -4.167 -0.542) 4.202 10.710 ( 0.000 2.088 0.572) 2.165 10.731 ( 0.000 -4.813 -7.036) 8.525 10.896 ( 0.000 7.881 2.555) 8.285 10.969 ( 0.000 -6.180 -1.421) 6.342 11.051 ( 0.000 2.444 -4.883) 5.460 11.107 ( 0.000 3.605 -5.773) 6.806 11.167 ( 0.000 -3.183 2.030) 3.775 11.238 ( 0.000 -6.884 -6.358) 9.371 11.515 ( 0.000 -0.846 1.886) 2.067 11.643 ( 0.000 -4.361 8.110) 9.209 11.667 ( 0.000 -1.711 2.597) 3.110 11.739 ( 0.000 -5.356 9.591) 10.985 11.891 ( 0.000 1.070 0.026) 1.071 11.957 ( 0.000 -2.579 -1.915) 3.212 12.222 ( 0.000 4.317 -6.704) 7.974 12.250 ( 0.000 2.430 7.366) 7.756 12.342 ( 0.000 -1.423 -2.723) 3.073 12.373 ( 0.000 -2.392 11.229) 11.481 12.806 ( 0.000 1.199 -7.954) 8.044 12.824 ( 0.000 1.712 -4.944) 5.232 13.121 ( 0.000 5.170 -14.507) 15.400 13.183 ( 0.000 2.216 -2.723) 3.511 13.440 ( 0.000 3.474 -1.132) 3.653 13.460 ( 0.000 8.033 -14.236) 16.346 13.524 ( 0.000 -3.278 6.189) 7.004 13.627 ( 0.000 2.390 1.309) 2.725 13.742 ( 0.000 -2.342 -9.227) 9.520 13.961 ( 0.000 -8.188 5.275) 9.741 14.220 ( 0.000 2.631 2.392) 3.556 14.342 ( 0.000 -3.338 -4.987) 6.001 14.398 ( 0.000 1.130 -3.641) 3.813 14.501 ( 0.000 -3.754 -3.195) 4.929 14.715 ( 0.000 1.553 13.928) 14.014 14.860 ( 0.000 -5.248 17.188) 17.971 15.148 ( 0.000 1.757 -5.162) 5.453 15.228 ( 0.000 -1.076 -3.634) 3.790 15.598 ( 0.000 1.767 3.099) 3.567 15.615 ( 0.000 0.679 4.319) 4.372 15.736 ( 0.000 4.542 -0.460) 4.565 15.807 ( 0.000 4.991 1.271) 5.150 15.825 ( 0.000 0.260 -3.089) 3.100 15.923 ( 0.000 2.711 0.073) 2.712 15.972 ( 0.000 -0.779 11.249) 11.276 16.059 ( 0.000 -0.852 -0.514) 0.995 16.070 ( 0.000 -5.800 1.035) 5.892 16.149 ( 0.000 -7.505 -2.113) 7.797 16.262 ( 0.000 4.303 -7.590) 8.724 16.369 ( 0.000 0.138 -1.546) 1.552 16.524 ( 0.000 -0.284 -1.761) 1.783 16.570 ( 0.000 1.218 6.090) 6.211 16.597 ( 0.000 7.091 -2.390) 7.483 16.747 ( 0.000 -0.026 -1.929) 1.930 17.723 ( 0.000 3.743 1.702) 4.112 17.850 ( 0.000 2.402 -3.187) 3.991 17.851 ( 0.000 -1.257 2.553) 2.845 18.022 ( 0.000 -5.726 -2.949) 6.441 18.107 ( 0.000 -0.349 5.425) 5.436 18.174 ( 0.000 -2.075 4.634) 5.077 18.286 ( 0.000 1.664 -1.071) 1.979 18.398 ( 0.000 -1.075 -4.295) 4.427 18.640 ( 0.000 2.875 3.301) 4.378 18.715 ( 0.000 -2.203 4.630) 5.127 18.775 ( 0.000 -1.739 -2.367) 2.937 18.865 ( 0.000 -2.750 1.335) 3.056 18.909 ( 0.000 2.505 -0.478) 2.551 18.927 ( 0.000 -5.814 3.332) 6.701 19.027 ( 0.000 -9.983 -2.791) 10.365 19.207 ( 0.000 -10.260 -3.001) 10.690 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 5.016 13.792 11.289) 18.515 1.639 ( 11.433 15.829 5.597) 20.312 1.874 ( -6.076 2.191 9.085) 11.146 1.983 ( 9.638 8.230 -7.195) 14.574 2.067 ( -0.630 9.249 -2.704) 9.657 2.096 ( -2.054 7.874 -3.314) 8.787 2.138 ( 0.027 2.027 5.778) 6.123 2.265 ( -2.081 1.821 -1.162) 2.999 2.276 ( 6.047 -4.014 -5.111) 8.877 2.335 ( 0.296 2.705 0.792) 2.834 2.360 ( -0.127 -2.022 3.854) 4.354 2.434 ( 5.427 -1.713 0.730) 5.737 2.541 ( 0.503 -0.133 2.594) 2.645 2.605 ( 2.639 8.169 2.897) 9.060 2.618 ( 1.093 -0.449 0.442) 1.261 2.670 ( 1.475 0.695 -2.204) 2.741 2.701 ( 1.106 3.361 3.784) 5.181 2.727 ( -3.216 -3.487 -2.166) 5.214 2.786 ( 2.565 -1.622 -0.743) 3.124 2.807 ( -4.548 -4.129 -7.037) 9.341 2.872 ( -0.240 -6.120 -0.839) 6.182 2.904 ( 0.592 -3.172 1.777) 3.683 2.933 ( -5.230 -4.433 -1.002) 6.929 2.961 ( -2.123 -5.366 0.262) 5.777 3.009 ( 2.041 -4.843 1.847) 5.570 3.032 ( 1.133 -4.919 1.138) 5.175 3.065 ( -1.082 -0.330 1.599) 1.959 3.160 ( -1.512 -6.326 -0.403) 6.516 3.182 ( 0.100 0.516 -0.795) 0.953 3.191 ( -2.483 -5.198 1.053) 5.856 3.238 ( 2.998 -3.892 -0.884) 4.991 3.373 ( 1.887 0.504 1.687) 2.581 3.406 ( 3.107 -2.094 1.176) 3.927 3.473 ( 1.098 -3.598 0.595) 3.809 3.493 ( -0.029 -1.459 1.369) 2.001 3.530 ( 0.669 0.233 -1.552) 1.706 3.538 ( 1.709 -2.099 -0.300) 2.723 3.564 ( -5.326 -3.948 -0.883) 6.688 3.580 ( 1.336 -4.078 -2.827) 5.139 3.643 ( -1.863 -4.595 -5.075) 7.095 3.820 ( 1.046 -0.084 1.615) 1.926 3.849 ( 4.157 3.811 1.609) 5.864 3.876 ( -0.774 3.995 0.485) 4.098 3.957 ( -1.722 4.543 3.890) 6.224 3.966 ( 3.300 1.523 1.726) 4.024 4.035 ( -0.058 2.445 0.802) 2.574 4.068 ( 2.438 -1.248 0.272) 2.752 4.141 ( -1.591 1.780 -0.040) 2.387 4.150 ( -1.955 2.709 0.557) 3.386 4.232 ( -3.988 4.481 -0.250) 6.004 4.280 ( -1.220 3.844 -0.204) 4.038 4.322 ( -2.651 4.774 -1.170) 5.585 4.356 ( 0.949 0.663 2.141) 2.434 4.430 ( -4.540 2.962 -2.262) 5.874 4.539 ( -4.819 6.178 -3.782) 8.700 4.567 ( -3.801 4.292 -6.477) 8.650 4.717 ( 3.486 -4.906 0.633) 6.052 4.793 ( 2.451 -4.650 4.454) 6.890 4.846 ( 1.161 0.695 0.090) 1.356 4.914 ( 0.791 -3.857 1.138) 4.099 4.963 ( -3.585 -7.944 0.852) 8.757 5.001 ( 2.197 -4.267 -0.261) 4.806 5.017 ( 2.167 -4.323 1.002) 4.938 5.067 ( -3.696 -7.180 -0.968) 8.133 5.121 ( -0.811 -3.514 -1.623) 3.954 5.214 ( -0.665 -2.143 2.629) 3.456 5.219 ( 6.632 2.200 -6.037) 9.234 5.348 ( 2.670 1.113 -2.070) 3.557 5.578 ( 1.865 -0.135 6.934) 7.181 5.690 ( -2.521 -5.173 5.240) 7.783 5.844 ( 0.647 2.973 -3.819) 4.883 5.886 ( -0.394 1.058 -2.625) 2.858 8.065 ( -0.696 6.669 4.539) 8.097 8.121 ( -3.411 5.005 4.435) 7.507 8.258 ( 0.665 8.786 -1.418) 8.925 8.325 ( -0.278 6.245 0.969) 6.326 8.352 ( 0.879 2.216 1.154) 2.648 8.399 ( 1.859 6.560 -1.286) 6.939 8.466 ( 1.942 5.529 -0.650) 5.896 8.504 ( -0.623 9.145 -0.464) 9.178 8.573 ( 1.498 0.347 2.138) 2.634 8.657 ( 0.457 2.399 -0.931) 2.613 8.669 ( 0.462 1.355 0.328) 1.468 8.715 ( 0.724 -0.302 2.511) 2.631 8.752 ( 1.178 -2.980 2.153) 3.860 8.776 ( 2.255 1.347 0.729) 2.726 8.787 ( 1.517 0.635 0.062) 1.646 8.850 ( -1.284 -0.330 4.924) 5.099 8.932 ( -0.032 3.150 -0.529) 3.195 9.056 ( 0.086 -7.101 0.034) 7.101 9.112 ( -0.710 -2.803 -5.695) 6.387 9.151 ( -0.028 -2.344 -4.835) 5.373 9.205 ( 0.172 -5.867 -8.750) 10.536 9.230 ( -1.477 -1.313 -8.742) 8.962 9.337 ( -4.143 -6.841 -0.412) 8.008 9.360 ( -2.857 -7.897 -1.814) 8.591 9.773 ( -1.469 0.665 -0.024) 1.613 9.799 ( -0.366 0.742 0.747) 1.115 9.838 ( 2.048 4.740 -1.082) 5.275 9.885 ( 2.661 2.110 2.829) 4.420 9.968 ( -2.007 -0.664 -0.744) 2.241 10.035 ( -0.997 0.239 3.587) 3.730 10.053 ( -0.032 -3.337 2.324) 4.067 10.106 ( -2.516 -1.885 -0.252) 3.154 10.169 ( -0.541 -1.783 3.088) 3.607 10.238 ( 2.487 0.353 7.091) 7.522 10.291 ( -6.777 -1.612 6.936) 9.831 10.358 ( 2.093 5.111 -3.551) 6.567 10.432 ( 0.116 -0.811 1.914) 2.081 10.444 ( -0.527 1.523 2.349) 2.849 10.513 ( 2.331 0.392 -2.661) 3.559 10.647 ( 2.973 -6.021 -0.580) 6.740 10.712 ( -3.290 2.256 -1.728) 4.347 10.766 ( 0.726 -0.601 -0.751) 1.205 10.850 ( -3.699 0.073 4.262) 5.643 10.908 ( -3.660 -4.180 -7.506) 9.338 10.985 ( 0.937 -0.792 -2.766) 3.026 11.102 ( -3.001 1.079 -3.767) 4.936 11.153 ( 5.887 4.127 -5.384) 8.982 11.452 ( 9.531 -4.560 -9.666) 14.320 11.506 ( -0.688 1.886 2.695) 3.361 11.638 ( 0.737 -3.761 4.971) 6.277 11.686 ( -0.624 -1.519 -0.171) 1.651 11.816 ( 6.111 -3.392 3.871) 7.990 11.967 ( 0.388 -0.916 2.459) 2.652 11.986 ( 5.780 -0.899 4.109) 7.148 12.216 ( 2.025 1.038 -0.804) 2.413 12.254 ( -0.382 1.076 1.823) 2.151 12.327 ( -3.772 -1.730 10.983) 11.741 12.378 ( 2.966 0.853 -2.011) 3.683 12.683 ( -7.480 -0.414 -6.201) 9.724 12.772 ( -7.478 2.095 -3.978) 8.725 13.061 ( -0.622 7.091 -2.591) 7.575 13.230 ( 4.547 0.460 1.028) 4.684 13.410 ( -10.394 0.513 3.536) 10.991 13.412 ( 0.576 4.278 -10.514) 11.366 13.515 ( -0.252 -0.969 0.335) 1.056 13.595 ( -7.491 1.830 3.512) 8.473 13.740 ( 4.393 -3.150 -8.404) 9.992 13.921 ( 0.739 -3.009 -7.506) 8.120 14.149 ( -2.702 -0.647 7.788) 8.268 14.314 ( -4.851 -0.818 1.045) 5.029 14.531 ( 5.652 -0.119 -6.240) 8.420 14.590 ( 8.415 -2.778 -6.649) 11.078 14.675 ( -3.012 0.729 11.194) 11.615 14.758 ( -5.169 -3.177 10.290) 11.945 15.103 ( -4.632 0.428 -5.396) 7.124 15.115 ( -7.766 0.187 -4.363) 8.909 15.583 ( -0.869 1.622 3.179) 3.673 15.600 ( -1.254 0.767 3.993) 4.255 15.756 ( 1.321 4.244 -2.655) 5.177 15.800 ( 0.059 2.859 -2.163) 3.585 15.891 ( 1.861 2.311 1.990) 3.572 15.928 ( -0.643 1.593 2.325) 2.891 15.991 ( 5.631 1.294 1.570) 5.987 16.113 ( 3.936 -2.276 1.650) 4.837 16.142 ( 2.264 -2.720 -1.593) 3.881 16.188 ( 2.806 -6.225 2.033) 7.125 16.264 ( 1.059 1.339 -4.036) 4.382 16.421 ( 1.597 -2.523 -2.783) 4.081 16.477 ( -1.312 3.235 3.119) 4.682 16.577 ( -0.392 2.008 4.848) 5.262 16.645 ( 4.336 4.476 -3.129) 6.974 16.752 ( 0.153 0.025 -2.191) 2.197 17.779 ( 4.808 1.393 1.738) 5.298 17.871 ( 1.809 -1.876 2.683) 3.740 17.900 ( 3.873 0.020 -2.985) 4.890 18.003 ( -2.060 -5.078 -1.931) 5.810 18.073 ( -2.289 -0.327 6.649) 7.040 18.147 ( -2.659 -2.265 4.214) 5.474 18.303 ( 1.554 0.951 -3.026) 3.532 18.380 ( -1.500 -0.834 -4.596) 4.906 18.655 ( 1.659 2.818 2.603) 4.179 18.723 ( 0.723 -1.729 2.872) 3.430 18.786 ( 0.476 -3.996 -0.761) 4.095 18.827 ( -4.871 -0.569 -0.082) 4.905 18.848 ( -0.715 -0.956 2.219) 2.519 18.929 ( -1.587 -3.741 5.621) 6.936 19.077 ( 3.665 -8.132 -4.998) 10.225 19.195 ( -1.253 -9.525 -3.521) 10.232 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -7.333 9.057 12.917) 17.396 1.708 ( 7.333 9.057 12.917) 17.396 1.884 ( -9.087 14.197 4.941) 17.565 1.884 ( 9.087 14.197 4.941) 17.565 2.107 ( -2.866 6.052 -2.208) 7.051 2.107 ( 2.866 6.052 -2.208) 7.051 2.242 ( -2.178 3.485 -4.562) 6.140 2.242 ( 2.178 3.485 -4.562) 6.140 2.328 ( -3.991 2.468 -3.608) 5.919 2.328 ( 3.991 2.468 -3.608) 5.919 2.460 ( -4.422 -3.726 2.583) 6.333 2.460 ( 4.422 -3.726 2.583) 6.333 2.588 ( -3.289 1.027 0.653) 3.507 2.588 ( 3.289 1.027 0.653) 3.507 2.625 ( -6.460 -5.081 -2.535) 8.601 2.625 ( 6.460 -5.081 -2.535) 8.601 2.706 ( -1.156 -2.402 -2.145) 3.422 2.706 ( 1.156 -2.402 -2.145) 3.422 2.768 ( -3.210 -1.386 -0.604) 3.549 2.768 ( 3.210 -1.386 -0.604) 3.549 2.894 ( -1.802 0.399 0.855) 2.034 2.894 ( 1.802 0.399 0.855) 2.034 2.930 ( -2.952 -4.499 0.338) 5.392 2.930 ( 2.952 -4.499 0.338) 5.392 3.027 ( -3.579 -3.493 1.930) 5.361 3.027 ( 3.579 -3.493 1.930) 5.361 3.098 ( -2.552 -7.385 1.301) 7.921 3.098 ( 2.552 -7.385 1.301) 7.921 3.169 ( -3.132 -3.844 3.786) 6.239 3.169 ( 3.132 -3.844 3.786) 6.239 3.335 ( -4.555 0.832 -0.333) 4.642 3.335 ( 4.555 0.832 -0.333) 4.642 3.431 ( -2.082 -1.022 2.534) 3.435 3.431 ( 2.082 -1.022 2.534) 3.435 3.517 ( -0.435 -3.776 -1.836) 4.222 3.517 ( 0.435 -3.776 -1.836) 4.222 3.563 ( -0.856 -1.931 -0.972) 2.325 3.563 ( 0.856 -1.931 -0.972) 2.325 3.616 ( -1.732 -3.422 -3.764) 5.374 3.616 ( 1.732 -3.422 -3.764) 5.374 3.856 ( -3.702 2.925 4.389) 6.444 3.856 ( 3.702 2.925 4.389) 6.444 3.903 ( -1.066 4.147 1.631) 4.582 3.903 ( 1.066 4.147 1.631) 4.582 4.035 ( -3.274 1.767 -0.825) 3.811 4.035 ( 3.274 1.767 -0.825) 3.811 4.098 ( -2.239 5.232 -0.146) 5.693 4.098 ( 2.239 5.232 -0.146) 5.693 4.186 ( -4.325 3.106 -2.502) 5.883 4.186 ( 4.325 3.106 -2.502) 5.883 4.224 ( -5.125 2.915 -0.204) 5.900 4.224 ( 5.125 2.915 -0.204) 5.900 4.379 ( -2.140 0.530 -3.203) 3.889 4.379 ( 2.140 0.530 -3.203) 3.889 4.508 ( -1.963 6.360 -7.933) 10.356 4.508 ( 1.963 6.360 -7.933) 10.356 4.807 ( -3.077 -6.082 5.568) 8.801 4.807 ( 3.077 -6.082 5.568) 8.801 4.865 ( -3.425 -4.622 2.309) 6.199 4.865 ( 3.425 -4.622 2.309) 6.199 4.974 ( -2.033 -5.437 2.387) 6.277 4.974 ( 2.033 -5.437 2.387) 6.277 5.047 ( -1.319 -4.854 -0.515) 5.056 5.047 ( 1.319 -4.854 -0.515) 5.056 5.155 ( -3.795 -2.368 1.516) 4.723 5.155 ( 3.795 -2.368 1.516) 4.723 5.341 ( -3.436 1.793 -4.790) 6.162 5.341 ( 3.436 1.793 -4.790) 6.162 5.630 ( -2.789 -3.321 5.868) 7.297 5.630 ( 2.789 -3.321 5.868) 7.297 5.868 ( -1.269 1.849 -3.540) 4.191 5.868 ( 1.269 1.849 -3.540) 4.191 8.068 ( -1.291 5.372 4.699) 7.253 8.068 ( 1.291 5.372 4.699) 7.253 8.284 ( -1.916 8.838 -2.002) 9.262 8.284 ( 1.916 8.838 -2.002) 9.262 8.400 ( -1.937 2.294 2.056) 3.639 8.400 ( 1.937 2.294 2.056) 3.639 8.492 ( -0.582 8.479 0.462) 8.511 8.492 ( 0.582 8.479 0.462) 8.511 8.631 ( -2.537 1.795 -1.721) 3.553 8.631 ( 2.537 1.795 -1.721) 3.553 8.700 ( -2.041 2.939 -0.688) 3.644 8.700 ( 2.041 2.939 -0.688) 3.644 8.785 ( -2.266 -4.057 2.613) 5.332 8.785 ( 2.266 -4.057 2.613) 5.332 8.827 ( -0.970 2.057 2.518) 3.393 8.827 ( 0.970 2.057 2.518) 3.393 8.975 ( -4.608 -1.819 -0.115) 4.955 8.975 ( 4.608 -1.819 -0.115) 4.955 9.152 ( -0.875 -4.367 -5.916) 7.405 9.152 ( 0.875 -4.367 -5.916) 7.405 9.211 ( -2.376 -6.143 -5.261) 8.430 9.211 ( 2.376 -6.143 -5.261) 8.430 9.289 ( -2.352 -5.651 -3.298) 6.953 9.289 ( 2.352 -5.651 -3.298) 6.953 9.774 ( -1.345 0.725 1.262) 1.982 9.774 ( 1.345 0.725 1.262) 1.982 9.894 ( -2.817 3.773 0.055) 4.709 9.894 ( 2.817 3.773 0.055) 4.709 9.969 ( -3.445 -0.356 3.005) 4.586 9.969 ( 3.445 -0.356 3.005) 4.586 10.086 ( -2.261 -1.660 -0.370) 2.829 10.086 ( 2.261 -1.660 -0.370) 2.829 10.165 ( -1.774 -3.163 7.085) 7.959 10.165 ( 1.774 -3.163 7.085) 7.959 10.348 ( -5.231 4.865 4.960) 8.696 10.348 ( 5.231 4.865 4.960) 8.696 10.448 ( -3.635 0.259 -2.009) 4.161 10.448 ( 3.635 0.259 -2.009) 4.161 10.543 ( -4.661 0.930 -1.699) 5.047 10.543 ( 4.661 0.930 -1.699) 5.047 10.762 ( -3.028 -1.284 1.756) 3.728 10.762 ( 3.028 -1.284 1.756) 3.728 10.834 ( -4.995 -5.647 -2.361) 7.900 10.834 ( 4.995 -5.647 -2.361) 7.900 11.036 ( -3.080 -0.570 -4.554) 5.527 11.036 ( 3.080 -0.570 -4.554) 5.527 11.362 ( -10.874 7.189 -11.650) 17.483 11.362 ( 10.874 7.189 -11.650) 17.483 11.607 ( -3.134 0.171 5.085) 5.976 11.607 ( 3.134 0.171 5.085) 5.976 11.768 ( -8.449 -2.817 -4.807) 10.120 11.768 ( 8.449 -2.817 -4.807) 10.120 12.041 ( -5.634 -3.556 6.163) 9.075 12.041 ( 5.634 -3.556 6.163) 9.075 12.240 ( -3.448 0.868 9.627) 10.262 12.240 ( 3.448 0.868 9.627) 10.262 12.362 ( -6.689 0.008 -3.441) 7.522 12.362 ( 6.689 0.008 -3.441) 7.522 12.621 ( -4.212 -0.310 -1.308) 4.421 12.621 ( 4.212 -0.310 -1.308) 4.421 13.154 ( -9.279 3.793 5.508) 11.438 13.154 ( 9.279 3.793 5.508) 11.438 13.383 ( -8.728 -1.928 6.045) 10.791 13.383 ( 8.728 -1.928 6.045) 10.791 13.480 ( -2.504 1.347 -8.374) 8.844 13.480 ( 2.504 1.347 -8.374) 8.844 13.872 ( -6.135 -1.084 -12.158) 13.661 13.872 ( 6.135 -1.084 -12.158) 13.661 14.185 ( -5.810 -1.355 8.579) 10.450 14.185 ( 5.810 -1.355 8.579) 10.450 14.604 ( -2.843 1.075 4.856) 5.728 14.604 ( 2.843 1.075 4.856) 5.728 14.721 ( -2.374 -3.044 -6.274) 7.367 14.721 ( 2.374 -3.044 -6.274) 7.367 15.016 ( -0.959 0.497 -4.427) 4.557 15.016 ( 0.959 0.497 -4.427) 4.557 15.578 ( -0.502 1.195 3.453) 3.688 15.578 ( 0.502 1.195 3.453) 3.688 15.785 ( -1.269 3.665 -4.217) 5.729 15.785 ( 1.269 3.665 -4.217) 5.729 15.917 ( -0.716 1.729 4.413) 4.793 15.917 ( 0.716 1.729 4.413) 4.793 16.110 ( -4.109 1.390 -4.497) 6.248 16.110 ( 4.109 1.390 -4.497) 6.248 16.192 ( -2.669 -2.966 3.576) 5.358 16.192 ( 2.669 -2.966 3.576) 5.358 16.341 ( -5.359 -2.446 -1.565) 6.095 16.341 ( 5.359 -2.446 -1.565) 6.095 16.539 ( -3.210 3.269 4.825) 6.653 16.539 ( 3.210 3.269 4.825) 6.653 16.732 ( -2.646 0.837 -2.939) 4.042 16.732 ( 2.646 0.837 -2.939) 4.042 17.885 ( -3.132 -2.605 1.520) 4.348 17.885 ( 3.132 -2.605 1.520) 4.348 17.950 ( -0.897 -2.521 -0.042) 2.676 17.950 ( 0.897 -2.521 -0.042) 2.676 18.075 ( -3.201 -1.369 4.699) 5.848 18.075 ( 3.201 -1.369 4.699) 5.848 18.343 ( -1.936 -0.173 -4.867) 5.241 18.343 ( 1.936 -0.173 -4.867) 5.241 18.716 ( -3.675 0.595 1.453) 3.997 18.716 ( 3.675 0.595 1.453) 3.997 18.762 ( -1.660 -2.118 0.444) 2.728 18.762 ( 1.660 -2.118 0.444) 2.728 18.878 ( -2.705 -2.404 4.743) 5.966 18.878 ( 2.705 -2.404 4.743) 5.966 19.151 ( -2.921 -8.290 -4.650) 9.943 19.151 ( 2.921 -8.290 -4.650) 9.943 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 -0.186 4.826) 4.830 1.786 ( 0.000 0.186 4.826) 4.830 1.842 ( 0.000 -0.536 5.027) 5.055 1.842 ( 0.000 0.536 5.027) 5.055 2.025 ( 0.000 -7.911 -5.202) 9.468 2.025 ( 0.000 7.911 -5.202) 9.468 2.263 ( 0.000 -6.553 -6.977) 9.572 2.263 ( 0.000 6.553 -6.977) 9.572 2.334 ( 0.000 -2.730 8.824) 9.237 2.334 ( 0.000 2.730 8.824) 9.237 2.467 ( 0.000 -9.292 0.901) 9.335 2.467 ( 0.000 9.292 0.901) 9.335 2.544 ( 0.000 -6.757 -0.813) 6.806 2.544 ( 0.000 6.757 -0.813) 6.806 2.628 ( 0.000 -0.003 -0.767) 0.767 2.628 ( 0.000 0.003 -0.767) 0.767 2.702 ( 0.000 -10.526 0.306) 10.530 2.702 ( 0.000 10.526 0.306) 10.530 2.747 ( 0.000 -6.349 4.629) 7.857 2.747 ( 0.000 6.349 4.629) 7.857 2.879 ( 0.000 -2.264 -2.387) 3.290 2.879 ( 0.000 2.264 -2.387) 3.290 2.956 ( 0.000 -9.006 -0.998) 9.061 2.956 ( 0.000 9.006 -0.998) 9.061 2.980 ( 0.000 -3.784 2.916) 4.777 2.980 ( 0.000 3.784 2.916) 4.777 3.042 ( 0.000 -0.052 1.447) 1.448 3.042 ( 0.000 0.052 1.447) 1.448 3.195 ( 0.000 -0.097 -4.628) 4.629 3.195 ( 0.000 0.097 -4.628) 4.629 3.270 ( 0.000 -2.535 3.471) 4.298 3.270 ( 0.000 2.535 3.471) 4.298 3.320 ( 0.000 -2.216 -6.667) 7.026 3.320 ( 0.000 2.216 -6.667) 7.026 3.475 ( 0.000 -2.033 1.696) 2.648 3.475 ( 0.000 2.033 1.696) 2.648 3.546 ( 0.000 -1.220 -3.687) 3.883 3.546 ( 0.000 1.220 -3.687) 3.883 3.667 ( 0.000 -0.471 -2.179) 2.229 3.667 ( 0.000 0.471 -2.179) 2.229 3.774 ( 0.000 -2.337 2.668) 3.547 3.774 ( 0.000 2.337 2.668) 3.547 3.842 ( 0.000 -0.791 2.165) 2.305 3.842 ( 0.000 0.791 2.165) 2.305 4.079 ( 0.000 -0.242 3.187) 3.196 4.079 ( 0.000 0.242 3.187) 3.196 4.157 ( 0.000 -2.051 1.634) 2.622 4.157 ( 0.000 2.051 1.634) 2.622 4.276 ( 0.000 -1.152 5.235) 5.360 4.276 ( 0.000 1.152 5.235) 5.360 4.373 ( 0.000 -1.167 4.493) 4.642 4.373 ( 0.000 1.167 4.493) 4.642 4.413 ( 0.000 -10.856 0.468) 10.866 4.413 ( 0.000 10.856 0.468) 10.866 4.598 ( 0.000 -3.005 1.234) 3.248 4.598 ( 0.000 3.005 1.234) 3.248 4.734 ( 0.000 -4.842 -7.271) 8.736 4.734 ( 0.000 4.842 -7.271) 8.736 4.869 ( 0.000 -4.612 -5.135) 6.902 4.869 ( 0.000 4.612 -5.135) 6.902 4.918 ( 0.000 -2.099 -0.647) 2.196 4.918 ( 0.000 2.099 -0.647) 2.196 5.007 ( 0.000 -2.429 -1.510) 2.860 5.007 ( 0.000 2.429 -1.510) 2.860 5.119 ( 0.000 -0.853 -1.293) 1.548 5.119 ( 0.000 0.853 -1.293) 1.548 5.229 ( 0.000 -1.214 -2.828) 3.077 5.229 ( 0.000 1.214 -2.828) 3.077 5.625 ( 0.000 -3.870 8.454) 9.298 5.625 ( 0.000 3.870 8.454) 9.298 5.889 ( 0.000 -1.078 -3.251) 3.425 5.889 ( 0.000 1.078 -3.251) 3.425 8.190 ( 0.000 -3.799 4.718) 6.057 8.190 ( 0.000 3.799 4.718) 6.057 8.319 ( 0.000 -4.038 3.554) 5.379 8.319 ( 0.000 4.038 3.554) 5.379 8.451 ( 0.000 -2.321 -3.691) 4.361 8.451 ( 0.000 2.321 -3.691) 4.361 8.538 ( 0.000 -4.877 -2.253) 5.372 8.538 ( 0.000 4.877 -2.253) 5.372 8.571 ( 0.000 -2.513 5.157) 5.737 8.571 ( 0.000 2.513 5.157) 5.737 8.683 ( 0.000 -0.360 1.340) 1.388 8.683 ( 0.000 0.360 1.340) 1.388 8.808 ( 0.000 -0.177 4.642) 4.645 8.808 ( 0.000 0.177 4.642) 4.645 8.866 ( 0.000 -0.297 -3.442) 3.455 8.866 ( 0.000 0.297 -3.442) 3.455 8.959 ( 0.000 -5.331 -5.091) 7.372 8.959 ( 0.000 5.331 -5.091) 7.372 9.098 ( 0.000 -3.414 -3.785) 5.097 9.098 ( 0.000 3.414 -3.785) 5.097 9.195 ( 0.000 -7.577 -2.684) 8.038 9.195 ( 0.000 7.577 -2.684) 8.038 9.289 ( 0.000 -2.623 -3.959) 4.749 9.289 ( 0.000 2.623 -3.959) 4.749 9.800 ( 0.000 -0.296 -0.260) 0.394 9.800 ( 0.000 0.296 -0.260) 0.394 9.910 ( 0.000 -4.498 4.393) 6.287 9.910 ( 0.000 4.498 4.393) 6.287 9.963 ( 0.000 -5.347 -3.007) 6.135 9.963 ( 0.000 5.347 -3.007) 6.135 10.055 ( 0.000 -3.736 1.359) 3.976 10.055 ( 0.000 3.736 1.359) 3.976 10.264 ( 0.000 -4.141 4.690) 6.257 10.264 ( 0.000 4.141 4.690) 6.257 10.289 ( 0.000 -4.377 9.270) 10.252 10.289 ( 0.000 4.377 9.270) 10.252 10.461 ( 0.000 -3.922 -4.766) 6.172 10.461 ( 0.000 3.922 -4.766) 6.172 10.550 ( 0.000 -1.349 -4.318) 4.524 10.550 ( 0.000 1.349 -4.318) 4.524 10.692 ( 0.000 -2.268 -5.368) 5.827 10.692 ( 0.000 2.268 -5.368) 5.827 10.947 ( 0.000 -2.045 4.366) 4.821 10.947 ( 0.000 2.045 4.366) 4.821 11.089 ( 0.000 -2.914 -6.963) 7.548 11.089 ( 0.000 2.914 -6.963) 7.548 11.174 ( 0.000 -0.492 -0.957) 1.076 11.174 ( 0.000 0.492 -0.957) 1.076 11.539 ( 0.000 -3.915 9.745) 10.502 11.539 ( 0.000 3.915 9.745) 10.502 11.668 ( 0.000 -1.556 4.323) 4.595 11.668 ( 0.000 1.556 4.323) 4.595 11.915 ( 0.000 -1.230 -1.062) 1.625 11.915 ( 0.000 1.230 -1.062) 1.625 12.288 ( 0.000 -0.737 -2.813) 2.908 12.288 ( 0.000 0.737 -2.813) 2.908 12.320 ( 0.000 -1.646 8.238) 8.401 12.320 ( 0.000 1.646 8.238) 8.401 12.830 ( 0.000 -0.305 -7.283) 7.289 12.830 ( 0.000 0.305 -7.283) 7.289 13.191 ( 0.000 -1.594 -7.858) 8.018 13.191 ( 0.000 1.594 -7.858) 8.018 13.478 ( 0.000 -1.012 5.175) 5.273 13.478 ( 0.000 1.012 5.175) 5.273 13.603 ( 0.000 -5.003 -13.916) 14.788 13.603 ( 0.000 5.003 -13.916) 14.788 13.796 ( 0.000 -6.726 2.385) 7.137 13.796 ( 0.000 6.726 2.385) 7.137 14.278 ( 0.000 -1.477 -0.640) 1.610 14.278 ( 0.000 1.477 -0.640) 1.610 14.435 ( 0.000 -1.960 -3.401) 3.926 14.435 ( 0.000 1.960 -3.401) 3.926 14.767 ( 0.000 -3.392 15.868) 16.226 14.767 ( 0.000 3.392 15.868) 16.226 15.190 ( 0.000 -2.204 -4.437) 4.954 15.190 ( 0.000 2.204 -4.437) 4.954 15.621 ( 0.000 -0.344 4.070) 4.085 15.621 ( 0.000 0.344 4.070) 4.085 15.809 ( 0.000 -2.099 -1.433) 2.541 15.809 ( 0.000 2.099 -1.433) 2.541 15.920 ( 0.000 -5.377 1.217) 5.513 15.920 ( 0.000 5.377 1.217) 5.513 15.981 ( 0.000 -2.578 2.799) 3.805 15.981 ( 0.000 2.578 2.799) 3.805 16.047 ( 0.000 -1.003 -0.740) 1.247 16.047 ( 0.000 1.003 -0.740) 1.247 16.334 ( 0.000 -2.292 -6.777) 7.154 16.334 ( 0.000 2.292 -6.777) 7.154 16.561 ( 0.000 -1.607 4.052) 4.359 16.561 ( 0.000 1.607 4.052) 4.359 16.712 ( 0.000 -3.593 -2.060) 4.142 16.712 ( 0.000 3.593 -2.060) 4.142 17.803 ( 0.000 -3.425 0.992) 3.566 17.803 ( 0.000 3.425 0.992) 3.566 17.915 ( 0.000 -4.119 -2.628) 4.886 17.915 ( 0.000 4.119 -2.628) 4.886 18.128 ( 0.000 -1.982 5.754) 6.085 18.128 ( 0.000 1.982 5.754) 6.085 18.343 ( 0.000 -3.336 -2.229) 4.012 18.343 ( 0.000 3.336 -2.229) 4.012 18.693 ( 0.000 -0.178 1.601) 1.611 18.693 ( 0.000 0.178 1.601) 1.611 18.790 ( 0.000 -6.234 -2.377) 6.672 18.790 ( 0.000 6.234 -2.377) 6.672 18.883 ( 0.000 -3.579 3.078) 4.721 18.883 ( 0.000 3.579 3.078) 4.721 19.019 ( 0.000 -7.483 -2.022) 7.751 19.019 ( 0.000 7.483 -2.022) 7.751 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.490 0.000 9.490) 9.606 1.818 ( 0.423 -0.000 11.312) 11.320 1.941 ( 8.818 0.000 1.452) 8.937 1.948 ( 7.502 -0.000 3.888) 8.450 2.145 ( 8.667 0.000 -3.421) 9.318 2.167 ( 9.553 -0.000 -4.564) 10.587 2.202 ( -1.485 -0.000 2.477) 2.889 2.247 ( -2.794 0.000 4.039) 4.912 2.354 ( 1.365 -0.000 -2.338) 2.707 2.355 ( 2.815 0.000 -5.855) 6.497 2.397 ( -2.905 -0.000 0.462) 2.942 2.417 ( -3.287 0.000 -0.156) 3.290 2.510 ( -0.362 0.000 -3.832) 3.849 2.538 ( -4.663 -0.000 -5.449) 7.172 2.586 ( 0.919 0.000 -2.747) 2.896 2.676 ( 0.367 0.000 1.059) 1.121 2.726 ( -4.307 0.000 -1.621) 4.602 2.735 ( 0.198 0.000 5.470) 5.474 2.763 ( 5.348 -0.000 2.759) 6.018 2.785 ( -0.796 0.000 -5.880) 5.934 2.835 ( 1.679 -0.000 3.835) 4.187 2.844 ( -3.636 -0.000 0.810) 3.725 2.937 ( -2.710 0.000 0.809) 2.828 2.940 ( -0.602 0.000 4.164) 4.208 2.976 ( 0.333 0.000 2.525) 2.547 2.981 ( -0.473 -0.000 1.344) 1.425 3.042 ( -4.111 -0.000 0.114) 4.112 3.043 ( 1.134 0.000 4.377) 4.522 3.083 ( -3.416 0.000 -0.145) 3.419 3.163 ( -1.980 0.000 2.710) 3.357 3.256 ( 5.784 0.000 -5.828) 8.211 3.377 ( 2.566 0.000 -5.088) 5.699 3.384 ( 4.126 -0.000 1.185) 4.292 3.426 ( 3.888 0.000 1.521) 4.175 3.482 ( 0.307 0.000 1.436) 1.469 3.497 ( 1.770 0.000 -0.759) 1.926 3.526 ( -5.656 0.000 0.372) 5.668 3.527 ( -2.391 -0.000 -1.915) 3.063 3.553 ( 0.704 0.000 -6.129) 6.169 3.582 ( -2.009 0.000 -3.003) 3.613 3.820 ( 2.321 0.000 3.319) 4.050 3.871 ( 2.187 0.000 3.677) 4.278 3.913 ( 2.470 0.000 -0.995) 2.662 3.944 ( 6.540 0.000 -1.365) 6.681 4.042 ( 0.140 0.000 1.360) 1.367 4.066 ( 2.958 0.000 -2.338) 3.770 4.128 ( -4.328 0.000 5.985) 7.386 4.138 ( -3.233 0.000 4.406) 5.465 4.209 ( 3.879 0.000 2.034) 4.380 4.277 ( -2.737 0.000 4.990) 5.692 4.339 ( -3.582 -0.000 0.035) 3.582 4.379 ( -3.364 0.000 4.152) 5.343 4.409 ( -1.156 0.000 -4.147) 4.305 4.433 ( -1.469 -0.000 -2.123) 2.582 4.614 ( -2.324 -0.000 -5.175) 5.673 4.627 ( 2.366 0.000 0.444) 2.407 4.669 ( 2.721 0.000 3.314) 4.288 4.674 ( -4.523 0.000 -2.242) 5.048 4.833 ( -2.821 0.000 -3.124) 4.209 4.877 ( -3.116 0.000 1.946) 3.674 4.880 ( -4.095 0.000 -0.313) 4.107 4.899 ( 5.440 0.000 -6.215) 8.260 4.963 ( -6.355 -0.000 -1.562) 6.544 5.021 ( 2.166 0.000 3.152) 3.825 5.071 ( 0.781 0.000 -4.663) 4.728 5.188 ( 0.478 0.000 3.041) 3.079 5.253 ( 6.384 0.000 -6.656) 9.222 5.358 ( 3.986 0.000 -2.516) 4.714 5.606 ( -1.135 0.000 7.926) 8.007 5.614 ( -0.944 -0.000 8.399) 8.452 5.881 ( -0.035 0.000 -3.889) 3.889 5.894 ( -0.009 0.000 -3.481) 3.481 8.150 ( -2.120 -0.000 4.716) 5.170 8.158 ( -2.376 0.000 5.305) 5.813 8.348 ( 2.463 0.000 2.201) 3.303 8.369 ( 2.541 0.000 3.196) 4.083 8.413 ( -1.183 0.000 -1.972) 2.299 8.465 ( -2.100 -0.000 -0.977) 2.316 8.538 ( 2.087 0.000 -3.510) 4.084 8.570 ( 2.979 0.000 2.654) 3.990 8.586 ( 2.405 -0.000 -0.906) 2.570 8.629 ( 2.627 -0.000 3.539) 4.408 8.687 ( 1.259 0.000 0.851) 1.520 8.718 ( 1.312 0.000 1.059) 1.686 8.766 ( -1.961 -0.000 2.107) 2.879 8.796 ( -2.214 0.000 1.487) 2.667 8.865 ( 0.264 -0.000 -0.423) 0.499 8.879 ( 1.954 0.000 0.157) 1.960 8.947 ( 0.291 0.000 -6.663) 6.670 9.013 ( 0.934 0.000 -3.513) 3.635 9.041 ( -1.669 -0.000 -5.215) 5.475 9.115 ( -0.907 0.000 -2.430) 2.594 9.150 ( -2.332 0.000 -3.644) 4.326 9.163 ( -4.510 -0.000 -4.462) 6.345 9.233 ( -1.486 0.000 -4.218) 4.472 9.282 ( -2.077 0.000 -3.107) 3.737 9.774 ( -1.008 0.000 0.260) 1.041 9.807 ( -0.300 0.000 0.360) 0.468 9.906 ( 1.354 0.000 3.949) 4.175 9.939 ( -0.682 0.000 0.803) 1.054 9.963 ( 2.495 0.000 0.866) 2.642 9.977 ( 0.773 0.000 -1.772) 1.934 10.046 ( -1.321 0.000 2.417) 2.755 10.047 ( -0.245 -0.000 1.920) 1.936 10.169 ( -5.494 0.000 6.773) 8.721 10.232 ( -6.085 0.000 12.285) 13.710 10.318 ( 3.885 -0.000 4.086) 5.638 10.337 ( 5.596 0.000 3.101) 6.398 10.459 ( -0.664 0.000 -4.132) 4.186 10.497 ( 3.385 -0.000 -0.730) 3.463 10.503 ( -0.042 0.000 -2.275) 2.276 10.602 ( 1.198 0.000 -4.282) 4.446 10.724 ( -0.041 0.000 -6.102) 6.102 10.749 ( 0.865 0.000 -1.440) 1.680 10.820 ( -8.037 0.000 -2.132) 8.315 10.833 ( -4.829 -0.000 2.376) 5.382 11.019 ( -1.921 0.000 0.355) 1.954 11.119 ( -4.104 0.000 -4.446) 6.051 11.242 ( 9.194 0.000 -6.744) 11.402 11.358 ( 14.568 0.000 -6.979) 16.153 11.559 ( -0.362 0.000 2.096) 2.127 11.572 ( 2.185 -0.000 7.384) 7.701 11.662 ( -0.730 0.000 1.527) 1.692 11.774 ( 7.815 0.000 3.647) 8.624 11.966 ( 6.100 -0.000 11.036) 12.610 11.969 ( -0.518 0.000 -4.560) 4.590 12.227 ( 0.553 0.000 -5.966) 5.991 12.279 ( -3.348 0.000 5.406) 6.359 12.295 ( -1.699 -0.000 11.522) 11.646 12.388 ( 4.268 0.000 -1.343) 4.474 12.678 ( -8.667 0.000 -7.616) 11.537 12.794 ( -7.313 0.000 -3.709) 8.200 13.160 ( -1.335 0.000 -0.458) 1.411 13.214 ( 3.250 0.000 -0.630) 3.310 13.410 ( -9.057 0.000 5.175) 10.431 13.455 ( 1.220 -0.000 -7.736) 7.831 13.536 ( -4.792 0.000 -10.089) 11.170 13.600 ( -10.196 0.000 3.532) 10.791 13.706 ( 5.356 0.000 -1.884) 5.678 13.880 ( 5.452 0.000 -8.282) 9.916 14.142 ( -3.806 0.000 6.927) 7.904 14.306 ( -5.749 0.000 1.301) 5.895 14.541 ( 9.032 0.000 -9.186) 12.882 14.550 ( 6.682 -0.000 -4.130) 7.856 14.684 ( -3.136 0.000 13.612) 13.969 14.722 ( -4.760 0.000 9.571) 10.689 15.104 ( -6.641 0.000 -5.091) 8.368 15.117 ( -5.521 0.000 -5.131) 7.537 15.603 ( -1.085 0.000 3.741) 3.896 15.607 ( -1.119 0.000 3.944) 4.100 15.817 ( 0.476 -0.000 -3.068) 3.105 15.824 ( 1.018 0.000 -3.442) 3.589 15.909 ( 0.215 0.000 4.089) 4.095 15.957 ( -0.701 0.000 2.421) 2.520 16.023 ( 6.281 -0.000 -0.446) 6.297 16.074 ( 6.328 0.000 3.308) 7.141 16.101 ( 2.993 -0.000 -2.046) 3.625 16.106 ( 4.145 -0.000 3.003) 5.118 16.291 ( -0.852 0.000 -5.286) 5.354 16.385 ( -0.387 0.000 -6.381) 6.393 16.527 ( 0.649 0.000 5.571) 5.609 16.595 ( 0.553 0.000 3.869) 3.908 16.717 ( 1.147 0.000 -2.734) 2.965 16.735 ( 1.205 0.000 -1.973) 2.312 17.821 ( 1.624 0.000 0.933) 1.873 17.828 ( 2.150 -0.000 1.584) 2.671 17.913 ( -0.173 0.000 -1.180) 1.193 17.933 ( 1.072 0.000 -3.498) 3.659 18.077 ( -2.856 0.000 7.429) 7.959 18.115 ( -2.236 0.000 4.877) 5.365 18.324 ( -0.063 0.000 -3.874) 3.875 18.358 ( -0.163 0.000 -3.302) 3.306 18.696 ( 0.415 0.000 1.495) 1.552 18.704 ( 0.740 0.000 2.152) 2.275 18.768 ( -0.702 -0.000 -1.875) 2.002 18.789 ( -1.115 0.000 -1.115) 1.577 18.860 ( -1.168 -0.000 2.864) 3.093 18.876 ( -0.998 0.000 3.903) 4.028 19.018 ( 1.194 -0.000 -3.411) 3.614 19.050 ( 0.927 0.000 -2.392) 2.566 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.206 0.000 13.321) 13.375 1.816 ( 1.206 0.000 13.321) 13.375 2.063 ( -0.254 0.000 3.728) 3.736 2.063 ( 0.254 -0.000 3.728) 3.736 2.164 ( -1.301 0.000 5.902) 6.044 2.164 ( 1.301 0.000 5.902) 6.044 2.286 ( -1.886 0.000 -0.040) 1.887 2.286 ( 1.886 0.000 -0.040) 1.887 2.403 ( -2.070 0.000 -7.769) 8.040 2.403 ( 2.070 -0.000 -7.769) 8.040 2.425 ( -1.825 0.000 -5.366) 5.667 2.425 ( 1.825 0.000 -5.366) 5.667 2.489 ( -1.752 0.000 -7.342) 7.548 2.489 ( 1.752 0.000 -7.342) 7.548 2.596 ( -1.198 0.000 -8.401) 8.486 2.596 ( 1.198 -0.000 -8.401) 8.486 2.679 ( -2.132 0.000 4.835) 5.285 2.679 ( 2.132 0.000 4.835) 5.285 2.772 ( -0.037 0.000 1.321) 1.321 2.772 ( 0.037 0.000 1.321) 1.321 2.841 ( -0.960 0.000 2.569) 2.742 2.841 ( 0.960 -0.000 2.569) 2.742 2.922 ( -1.265 0.000 0.931) 1.571 2.922 ( 1.265 0.000 0.931) 1.571 2.975 ( -0.827 0.000 4.010) 4.094 2.975 ( 0.827 0.000 4.010) 4.094 3.008 ( -0.533 -0.000 4.306) 4.339 3.008 ( 0.533 0.000 4.306) 4.339 3.135 ( -2.716 0.000 3.228) 4.219 3.135 ( 2.716 0.000 3.228) 4.219 3.366 ( -2.610 0.000 -1.036) 2.808 3.366 ( 2.610 0.000 -1.036) 2.808 3.425 ( -0.677 -0.000 1.000) 1.208 3.425 ( 0.677 0.000 1.000) 1.208 3.454 ( -3.002 0.000 -0.267) 3.013 3.454 ( 3.002 0.000 -0.267) 3.013 3.557 ( -0.330 -0.000 -2.258) 2.282 3.557 ( 0.330 0.000 -2.258) 2.282 3.561 ( -0.062 0.000 -4.872) 4.872 3.561 ( 0.062 -0.000 -4.872) 4.872 3.862 ( -2.361 0.000 3.016) 3.830 3.862 ( 2.361 0.000 3.016) 3.830 3.957 ( -3.246 0.000 -0.849) 3.356 3.957 ( 3.246 0.000 -0.849) 3.356 4.098 ( -2.572 0.000 1.674) 3.069 4.098 ( 2.572 0.000 1.674) 3.069 4.141 ( -3.816 0.000 -1.690) 4.174 4.141 ( 3.816 -0.000 -1.690) 4.174 4.233 ( -4.060 0.000 3.580) 5.412 4.233 ( 4.060 0.000 3.580) 5.412 4.290 ( -2.905 0.000 0.675) 2.983 4.290 ( 2.905 0.000 0.675) 2.983 4.380 ( -1.260 -0.000 -3.298) 3.530 4.380 ( 1.260 -0.000 -3.298) 3.530 4.588 ( -0.901 0.000 -8.910) 8.955 4.588 ( 0.901 0.000 -8.910) 8.955 4.712 ( -0.967 0.000 8.496) 8.551 4.712 ( 0.967 0.000 8.496) 8.551 4.828 ( -2.107 0.000 -0.478) 2.161 4.828 ( 2.107 0.000 -0.478) 2.161 4.846 ( -1.650 -0.000 -0.309) 1.679 4.846 ( 1.650 -0.000 -0.309) 1.679 5.000 ( -3.375 0.000 -2.890) 4.443 5.000 ( 3.375 0.000 -2.890) 4.443 5.143 ( -3.957 0.000 3.001) 4.966 5.143 ( 3.957 0.000 3.001) 4.966 5.364 ( -3.196 0.000 -4.758) 5.732 5.364 ( 3.196 0.000 -4.758) 5.732 5.597 ( -0.403 0.000 7.871) 7.882 5.597 ( 0.403 0.000 7.871) 7.882 5.889 ( -0.497 0.000 -4.072) 4.102 5.889 ( 0.497 0.000 -4.072) 4.102 8.127 ( -0.186 0.000 5.201) 5.204 8.127 ( 0.186 0.000 5.201) 5.204 8.388 ( -1.130 0.000 -1.410) 1.807 8.388 ( 1.130 0.000 -1.410) 1.807 8.418 ( -1.904 0.000 3.413) 3.909 8.418 ( 1.904 0.000 3.413) 3.909 8.588 ( -2.065 0.000 -2.262) 3.063 8.588 ( 2.065 0.000 -2.262) 3.063 8.651 ( -2.685 0.000 0.880) 2.826 8.651 ( 2.685 0.000 0.880) 2.826 8.721 ( -1.092 -0.000 0.983) 1.470 8.721 ( 1.092 -0.000 0.983) 1.470 8.742 ( -1.696 0.000 1.330) 2.155 8.742 ( 1.696 0.000 1.330) 2.155 8.922 ( -1.774 -0.000 -1.557) 2.360 8.922 ( 1.774 -0.000 -1.557) 2.360 8.942 ( -5.758 0.000 0.118) 5.759 8.942 ( 5.758 0.000 0.118) 5.759 9.068 ( -3.526 -0.000 -5.709) 6.710 9.068 ( 3.526 -0.000 -5.709) 6.710 9.112 ( -1.095 0.000 -6.205) 6.301 9.112 ( 1.095 -0.000 -6.205) 6.301 9.236 ( -1.513 -0.000 -3.208) 3.547 9.236 ( 1.513 0.000 -3.208) 3.547 9.782 ( -1.504 0.000 1.077) 1.850 9.782 ( 1.504 0.000 1.077) 1.850 9.936 ( -0.234 0.000 0.262) 0.351 9.936 ( 0.234 0.000 0.262) 0.351 9.996 ( -2.267 0.000 3.995) 4.593 9.996 ( 2.267 0.000 3.995) 4.593 10.025 ( -2.759 -0.000 1.429) 3.107 10.025 ( 2.759 0.000 1.429) 3.107 10.128 ( -2.436 0.000 9.131) 9.451 10.128 ( 2.436 0.000 9.131) 9.451 10.392 ( -2.255 0.000 0.559) 2.324 10.392 ( 2.255 0.000 0.559) 2.324 10.500 ( -5.076 -0.000 4.263) 6.629 10.500 ( 5.076 0.000 4.263) 6.629 10.564 ( -4.418 -0.000 -5.212) 6.832 10.564 ( 4.418 0.000 -5.212) 6.832 10.695 ( -3.575 0.000 -1.201) 3.771 10.695 ( 3.575 0.000 -1.201) 3.771 10.772 ( -0.755 0.000 0.146) 0.769 10.772 ( 0.755 -0.000 0.146) 0.769 11.038 ( -3.171 0.000 -3.749) 4.911 11.038 ( 3.171 0.000 -3.749) 4.911 11.455 ( -8.236 0.000 -14.555) 16.724 11.455 ( 8.236 0.000 -14.555) 16.724 11.601 ( -0.099 0.000 6.516) 6.517 11.601 ( 0.099 0.000 6.516) 6.517 11.737 ( -13.158 0.000 -4.703) 13.973 11.737 ( 13.158 -0.000 -4.703) 13.973 11.998 ( -6.017 0.000 6.653) 8.970 11.998 ( 6.017 0.000 6.653) 8.970 12.249 ( -2.151 0.000 10.646) 10.861 12.249 ( 2.151 0.000 10.646) 10.861 12.360 ( -8.268 0.000 -5.116) 9.723 12.360 ( 8.268 0.000 -5.116) 9.723 12.620 ( -5.853 0.000 -0.822) 5.911 12.620 ( 5.853 0.000 -0.822) 5.911 13.202 ( -6.254 0.000 3.762) 7.298 13.202 ( 6.254 0.000 3.762) 7.298 13.355 ( -9.565 -0.000 8.220) 12.612 13.355 ( 9.565 0.000 8.220) 12.612 13.496 ( -0.808 0.000 -9.681) 9.714 13.496 ( 0.808 0.000 -9.681) 9.714 13.859 ( -7.089 0.000 -11.154) 13.216 13.859 ( 7.089 0.000 -11.154) 13.216 14.171 ( -6.082 0.000 8.592) 10.527 14.171 ( 6.082 0.000 8.592) 10.527 14.623 ( -2.057 0.000 10.089) 10.297 14.623 ( 2.057 0.000 10.089) 10.297 14.682 ( -1.895 0.000 -11.259) 11.417 14.682 ( 1.895 0.000 -11.259) 11.417 15.021 ( -1.268 0.000 -4.630) 4.800 15.021 ( 1.268 0.000 -4.630) 4.800 15.591 ( -0.125 0.000 3.673) 3.675 15.591 ( 0.125 0.000 3.673) 3.675 15.828 ( -0.453 0.000 -5.251) 5.271 15.828 ( 0.453 0.000 -5.251) 5.271 15.934 ( -1.565 0.000 5.602) 5.817 15.934 ( 1.565 0.000 5.602) 5.817 16.117 ( -1.926 0.000 -2.585) 3.224 16.117 ( 1.926 0.000 -2.585) 3.224 16.164 ( -0.158 0.000 3.069) 3.073 16.164 ( 0.158 0.000 3.069) 3.073 16.316 ( -3.778 0.000 -3.114) 4.896 16.316 ( 3.778 0.000 -3.114) 4.896 16.577 ( -2.268 0.000 4.245) 4.813 16.577 ( 2.268 0.000 4.245) 4.813 16.744 ( -0.715 0.000 -2.643) 2.738 16.744 ( 0.715 0.000 -2.643) 2.738 17.856 ( -0.853 0.000 1.269) 1.530 17.856 ( 0.853 0.000 1.269) 1.530 17.923 ( -1.863 0.000 -0.946) 2.089 17.923 ( 1.863 0.000 -0.946) 2.089 18.061 ( -1.879 0.000 5.627) 5.932 18.061 ( 1.879 0.000 5.627) 5.932 18.340 ( -1.217 0.000 -4.828) 4.979 18.340 ( 1.217 0.000 -4.828) 4.979 18.709 ( -0.520 0.000 1.773) 1.848 18.709 ( 0.520 0.000 1.773) 1.848 18.765 ( -0.541 0.000 -0.470) 0.717 18.765 ( 0.541 0.000 -0.470) 0.717 18.854 ( -0.676 0.000 3.500) 3.565 18.854 ( 0.676 0.000 3.500) 3.565 19.048 ( -1.065 -0.000 -3.488) 3.647 19.048 ( 1.065 0.000 -3.488) 3.647 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 0.000 -22.550) 22.550 0.990 ( 0.000 0.000 22.550) 22.550 1.037 ( 0.000 0.000 -24.723) 24.723 1.037 ( 0.000 0.000 24.723) 24.723 2.028 ( 0.000 0.000 -36.153) 36.153 2.028 ( 0.000 0.000 36.153) 36.153 2.191 ( 0.000 0.000 -2.268) 2.268 2.191 ( 0.000 0.000 2.268) 2.268 2.205 ( 0.000 0.000 -2.041) 2.041 2.205 ( 0.000 0.000 2.041) 2.041 2.291 ( 0.000 0.000 -5.675) 5.675 2.291 ( 0.000 0.000 5.675) 5.675 2.312 ( 0.000 0.000 -19.541) 19.541 2.312 ( 0.000 0.000 19.541) 19.541 2.743 ( 0.000 0.000 -5.916) 5.916 2.743 ( 0.000 0.000 5.916) 5.916 2.776 ( 0.000 0.000 -8.484) 8.484 2.776 ( 0.000 0.000 8.484) 8.484 2.861 ( 0.000 0.000 -12.331) 12.331 2.861 ( 0.000 0.000 12.331) 12.331 2.896 ( 0.000 0.000 -7.487) 7.487 2.896 ( 0.000 0.000 7.487) 7.487 3.049 ( 0.000 0.000 -6.583) 6.583 3.049 ( 0.000 0.000 6.583) 6.583 3.231 ( 0.000 0.000 -9.644) 9.644 3.231 ( 0.000 0.000 9.644) 9.644 3.342 ( 0.000 0.000 -1.426) 1.426 3.342 ( 0.000 0.000 1.426) 1.426 3.343 ( 0.000 0.000 -1.626) 1.626 3.343 ( 0.000 0.000 1.626) 1.626 3.461 ( 0.000 0.000 -2.559) 2.559 3.461 ( 0.000 0.000 2.559) 2.559 3.547 ( 0.000 0.000 -1.551) 1.551 3.547 ( 0.000 0.000 1.551) 1.551 3.649 ( 0.000 0.000 -5.160) 5.160 3.649 ( 0.000 0.000 5.160) 5.160 3.725 ( 0.000 0.000 -9.827) 9.827 3.725 ( 0.000 0.000 9.827) 9.827 3.740 ( 0.000 0.000 -4.368) 4.368 3.740 ( 0.000 0.000 4.368) 4.368 3.844 ( 0.000 0.000 -1.421) 1.421 3.844 ( 0.000 0.000 1.421) 1.421 3.922 ( 0.000 0.000 -0.815) 0.815 3.922 ( 0.000 0.000 0.815) 0.815 3.952 ( 0.000 0.000 -1.060) 1.060 3.952 ( 0.000 0.000 1.060) 1.060 3.977 ( 0.000 0.000 -1.854) 1.854 3.977 ( 0.000 0.000 1.854) 1.854 4.141 ( 0.000 0.000 -1.423) 1.423 4.141 ( 0.000 0.000 1.423) 1.423 4.201 ( 0.000 0.000 -2.313) 2.313 4.201 ( 0.000 0.000 2.313) 2.313 4.212 ( 0.000 0.000 -4.147) 4.147 4.212 ( 0.000 0.000 4.147) 4.147 4.642 ( 0.000 0.000 -5.222) 5.222 4.642 ( 0.000 0.000 5.222) 5.222 4.855 ( 0.000 0.000 -2.385) 2.385 4.855 ( 0.000 0.000 -1.288) 1.288 4.855 ( 0.000 0.000 1.288) 1.288 4.855 ( 0.000 0.000 2.385) 2.385 5.050 ( 0.000 0.000 -2.976) 2.976 5.050 ( 0.000 0.000 2.976) 2.976 5.234 ( 0.000 0.000 -3.564) 3.564 5.234 ( 0.000 0.000 3.564) 3.564 5.307 ( 0.000 0.000 -10.520) 10.520 5.307 ( 0.000 0.000 10.520) 10.520 5.376 ( 0.000 0.000 -4.487) 4.487 5.376 ( 0.000 0.000 4.487) 4.487 5.633 ( 0.000 0.000 -1.008) 1.008 5.633 ( 0.000 0.000 1.008) 1.008 6.041 ( 0.000 0.000 -7.538) 7.538 6.041 ( 0.000 0.000 7.538) 7.538 7.536 ( 0.000 0.000 -4.593) 4.593 7.536 ( 0.000 0.000 4.593) 4.593 7.918 ( 0.000 0.000 -10.833) 10.833 7.918 ( 0.000 0.000 10.833) 10.833 7.983 ( 0.000 0.000 -11.636) 11.636 7.983 ( 0.000 0.000 11.636) 11.636 8.100 ( 0.000 0.000 -7.403) 7.403 8.100 ( 0.000 0.000 7.403) 7.403 8.532 ( 0.000 0.000 -4.167) 4.167 8.532 ( 0.000 0.000 4.167) 4.167 8.681 ( 0.000 0.000 -1.447) 1.447 8.681 ( 0.000 0.000 1.447) 1.447 8.937 ( 0.000 0.000 -9.612) 9.612 8.937 ( 0.000 0.000 9.612) 9.612 8.969 ( 0.000 0.000 -2.145) 2.145 8.969 ( 0.000 0.000 2.145) 2.145 9.096 ( 0.000 0.000 -0.126) 0.126 9.096 ( 0.000 0.000 0.126) 0.126 9.128 ( 0.000 0.000 -9.758) 9.758 9.128 ( 0.000 0.000 9.758) 9.758 9.216 ( 0.000 0.000 -5.593) 5.593 9.216 ( 0.000 0.000 5.593) 5.593 9.541 ( 0.000 0.000 -1.572) 1.572 9.541 ( 0.000 0.000 1.572) 1.572 9.778 ( 0.000 0.000 -0.659) 0.659 9.778 ( 0.000 0.000 0.659) 0.659 9.851 ( 0.000 0.000 -8.910) 8.910 9.851 ( 0.000 0.000 8.910) 8.910 9.978 ( 0.000 0.000 -6.041) 6.041 9.978 ( 0.000 0.000 6.041) 6.041 9.991 ( 0.000 0.000 -8.464) 8.464 9.991 ( 0.000 0.000 8.464) 8.464 10.208 ( 0.000 0.000 -1.073) 1.073 10.208 ( 0.000 0.000 1.073) 1.073 10.236 ( 0.000 0.000 -5.694) 5.694 10.236 ( 0.000 0.000 5.694) 5.694 10.433 ( 0.000 0.000 -2.810) 2.810 10.433 ( 0.000 0.000 2.810) 2.810 10.518 ( 0.000 0.000 -14.118) 14.118 10.518 ( 0.000 0.000 14.118) 14.118 10.817 ( 0.000 0.000 -2.075) 2.075 10.817 ( 0.000 0.000 2.075) 2.075 10.837 ( 0.000 0.000 -3.831) 3.831 10.837 ( 0.000 0.000 3.831) 3.831 10.991 ( 0.000 0.000 -2.596) 2.596 10.991 ( 0.000 0.000 2.596) 2.596 11.468 ( 0.000 0.000 -8.759) 8.759 11.468 ( 0.000 0.000 8.759) 8.759 11.698 ( 0.000 0.000 -0.390) 0.390 11.698 ( 0.000 0.000 0.390) 0.390 11.740 ( 0.000 0.000 -1.873) 1.873 11.740 ( 0.000 0.000 1.873) 1.873 12.041 ( 0.000 0.000 -3.687) 3.687 12.041 ( 0.000 0.000 3.687) 3.687 12.222 ( 0.000 0.000 -2.817) 2.817 12.222 ( 0.000 0.000 2.817) 2.817 12.500 ( 0.000 0.000 -17.220) 17.220 12.500 ( 0.000 0.000 17.220) 17.220 12.557 ( 0.000 0.000 -5.608) 5.608 12.557 ( 0.000 0.000 5.608) 5.608 12.936 ( 0.000 0.000 -17.503) 17.503 12.936 ( 0.000 0.000 17.503) 17.503 13.081 ( 0.000 0.000 -6.170) 6.170 13.081 ( 0.000 0.000 6.170) 6.170 13.641 ( 0.000 0.000 -8.784) 8.784 13.641 ( 0.000 0.000 8.784) 8.784 14.124 ( 0.000 0.000 -22.074) 22.074 14.124 ( 0.000 0.000 22.074) 22.074 14.295 ( 0.000 0.000 -4.009) 4.009 14.295 ( 0.000 0.000 4.009) 4.009 14.506 ( 0.000 0.000 -9.904) 9.904 14.506 ( 0.000 0.000 9.904) 9.904 14.934 ( 0.000 0.000 -8.993) 8.993 14.934 ( 0.000 0.000 8.993) 8.993 15.097 ( 0.000 0.000 -0.650) 0.650 15.097 ( 0.000 0.000 0.650) 0.650 15.503 ( 0.000 0.000 -0.062) 0.062 15.503 ( 0.000 0.000 0.062) 0.062 15.681 ( 0.000 0.000 -4.302) 4.302 15.681 ( 0.000 0.000 4.302) 4.302 15.754 ( 0.000 0.000 -6.137) 6.137 15.754 ( 0.000 0.000 6.137) 6.137 15.971 ( 0.000 0.000 -6.556) 6.556 15.971 ( 0.000 0.000 6.556) 6.556 16.090 ( 0.000 0.000 -0.473) 0.473 16.090 ( 0.000 0.000 0.473) 0.473 16.369 ( 0.000 0.000 -2.279) 2.279 16.369 ( 0.000 0.000 2.279) 2.279 16.570 ( 0.000 0.000 -6.310) 6.310 16.570 ( 0.000 0.000 6.310) 6.310 17.046 ( 0.000 0.000 -2.681) 2.681 17.046 ( 0.000 0.000 2.681) 2.681 17.695 ( 0.000 0.000 -3.942) 3.942 17.695 ( 0.000 0.000 3.942) 3.942 18.033 ( 0.000 0.000 -6.578) 6.578 18.033 ( 0.000 0.000 6.578) 6.578 18.285 ( 0.000 0.000 -2.465) 2.465 18.285 ( 0.000 0.000 2.465) 2.465 18.372 ( 0.000 0.000 -1.765) 1.765 18.372 ( 0.000 0.000 1.765) 1.765 18.700 ( 0.000 0.000 -5.119) 5.119 18.700 ( 0.000 0.000 5.119) 5.119 19.110 ( 0.000 0.000 -4.993) 4.993 19.110 ( 0.000 0.000 4.993) 4.993 19.152 ( 0.000 0.000 -15.192) 15.192 19.152 ( 0.000 0.000 15.192) 15.192 19.733 ( 0.000 0.000 -0.882) 0.882 19.733 ( 0.000 0.000 0.882) 0.882 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 9.866 0.000 -19.946) 22.253 1.140 ( 9.866 0.000 19.946) 22.253 1.232 ( 17.841 0.000 -17.700) 25.132 1.232 ( 17.841 0.000 17.700) 25.132 1.813 ( -18.862 0.000 -9.293) 21.027 1.813 ( -18.862 0.000 9.293) 21.027 1.945 ( -14.202 0.000 -17.056) 22.195 1.945 ( -14.202 0.000 17.056) 22.195 2.227 ( 13.958 0.000 -29.025) 32.207 2.227 ( 13.958 0.000 29.025) 32.207 2.478 ( 7.590 0.000 -2.793) 8.087 2.478 ( 7.590 0.000 2.793) 8.087 2.535 ( 7.744 0.000 -3.011) 8.309 2.535 ( 7.744 0.000 3.011) 8.309 2.774 ( 2.706 0.000 -3.562) 4.474 2.774 ( 2.706 0.000 3.562) 4.474 2.829 ( 1.377 0.000 -3.013) 3.313 2.829 ( 1.377 0.000 3.013) 3.313 2.856 ( 5.003 0.000 -6.234) 7.993 2.856 ( 5.003 0.000 6.234) 7.993 2.975 ( 2.603 0.000 -3.171) 4.103 2.975 ( 2.603 0.000 3.171) 4.103 3.048 ( -0.307 0.000 -3.624) 3.637 3.048 ( -0.307 0.000 3.624) 3.637 3.170 ( -7.884 0.000 -2.850) 8.384 3.170 ( -7.884 0.000 2.850) 8.384 3.254 ( -3.799 0.000 -1.657) 4.145 3.254 ( -3.799 0.000 1.657) 4.145 3.402 ( 3.217 0.000 -1.435) 3.523 3.402 ( 3.217 0.000 1.435) 3.523 3.472 ( -1.593 0.000 -2.922) 3.328 3.472 ( -1.593 0.000 2.922) 3.328 3.511 ( -0.634 0.000 -2.105) 2.198 3.511 ( -0.634 0.000 2.105) 2.198 3.596 ( -6.165 0.000 -8.872) 10.804 3.596 ( -6.165 0.000 8.872) 10.804 3.651 ( -5.197 0.000 -0.826) 5.262 3.651 ( -5.197 0.000 0.826) 5.262 3.657 ( -2.178 0.000 -2.226) 3.114 3.657 ( -2.178 0.000 2.226) 3.114 3.866 ( -0.003 0.000 -3.652) 3.652 3.866 ( -0.003 0.000 3.652) 3.652 3.879 ( -1.570 0.000 -1.915) 2.476 3.879 ( -1.570 0.000 1.915) 2.476 3.937 ( 0.310 0.000 -3.122) 3.138 3.937 ( 0.310 0.000 3.122) 3.138 4.030 ( -1.060 0.000 -2.448) 2.668 4.030 ( -1.060 0.000 2.448) 2.668 4.053 ( -0.829 0.000 -5.623) 5.684 4.053 ( -0.829 0.000 5.623) 5.684 4.199 ( -3.460 0.000 -3.578) 4.978 4.199 ( -3.460 0.000 3.578) 4.978 4.263 ( 3.970 0.000 -3.849) 5.529 4.263 ( 3.970 0.000 3.849) 5.529 4.612 ( -1.836 0.000 -3.804) 4.224 4.612 ( -1.836 0.000 3.804) 4.224 4.780 ( -3.613 0.000 -3.357) 4.932 4.780 ( -3.613 0.000 3.357) 4.932 4.864 ( -1.114 0.000 -1.762) 2.085 4.864 ( -1.114 0.000 1.762) 2.085 5.012 ( 1.001 0.000 -3.037) 3.198 5.012 ( 1.001 0.000 3.037) 3.198 5.157 ( -3.786 0.000 -3.118) 4.905 5.157 ( -3.786 0.000 3.118) 4.905 5.445 ( 5.172 0.000 -1.760) 5.464 5.445 ( 5.172 0.000 1.760) 5.464 5.498 ( 6.979 0.000 -8.512) 11.007 5.498 ( 6.979 0.000 8.512) 11.007 5.694 ( 6.175 0.000 -2.033) 6.501 5.694 ( 6.175 0.000 2.033) 6.501 5.990 ( -4.644 0.000 -6.881) 8.302 5.990 ( -4.644 0.000 6.881) 8.302 7.596 ( 5.354 0.000 -4.185) 6.796 7.596 ( 5.354 0.000 4.185) 6.796 7.870 ( -4.368 0.000 -6.337) 7.696 7.870 ( -4.368 0.000 6.337) 7.696 7.992 ( 0.787 0.000 -10.963) 10.991 7.992 ( 0.787 0.000 10.963) 10.991 8.070 ( -2.507 0.000 -1.797) 3.085 8.070 ( -2.507 0.000 1.797) 3.085 8.538 ( 0.823 0.000 -4.799) 4.869 8.538 ( 0.823 0.000 4.799) 4.869 8.647 ( -2.706 0.000 -2.075) 3.410 8.647 ( -2.706 0.000 2.075) 3.410 8.914 ( -0.656 0.000 -6.390) 6.423 8.914 ( -0.656 0.000 6.390) 6.423 8.972 ( -1.081 0.000 -3.166) 3.345 8.972 ( -1.081 0.000 3.166) 3.345 9.104 ( 0.581 0.000 -6.652) 6.678 9.104 ( 0.581 0.000 6.652) 6.678 9.155 ( 0.290 0.000 -3.788) 3.799 9.155 ( 0.290 0.000 3.788) 3.799 9.237 ( 5.027 0.000 -4.788) 6.942 9.237 ( 5.027 0.000 4.788) 6.942 9.529 ( -2.123 0.000 -2.139) 3.014 9.529 ( -2.123 0.000 2.139) 3.014 9.778 ( 0.182 0.000 -0.267) 0.323 9.778 ( 0.182 0.000 0.267) 0.323 9.827 ( -1.625 0.000 -7.151) 7.333 9.827 ( -1.625 0.000 7.151) 7.333 9.955 ( -1.118 0.000 -4.638) 4.771 9.955 ( -1.118 0.000 4.638) 4.771 9.986 ( -1.561 0.000 -2.210) 2.706 9.986 ( -1.561 0.000 2.210) 2.706 10.230 ( 1.679 0.000 -3.547) 3.925 10.230 ( 1.679 0.000 3.547) 3.925 10.296 ( 5.594 0.000 -3.199) 6.444 10.296 ( 5.594 0.000 3.199) 6.444 10.416 ( -2.389 0.000 -2.650) 3.568 10.416 ( -2.389 0.000 2.650) 3.568 10.497 ( -2.523 0.000 -12.709) 12.957 10.497 ( -2.523 0.000 12.709) 12.957 10.721 ( -3.930 0.000 -1.287) 4.135 10.721 ( -3.930 0.000 1.287) 4.135 10.794 ( -3.464 0.000 -2.729) 4.409 10.794 ( -3.464 0.000 2.729) 4.409 11.124 ( 8.310 0.000 -0.292) 8.315 11.124 ( 8.310 0.000 0.292) 8.315 11.407 ( -5.272 0.000 -3.280) 6.209 11.407 ( -5.272 0.000 3.280) 6.209 11.665 ( 3.759 0.000 -3.551) 5.171 11.665 ( 3.759 0.000 3.551) 5.171 11.859 ( 0.843 0.000 -5.628) 5.691 11.859 ( 0.843 0.000 5.628) 5.691 12.094 ( 5.589 0.000 -2.215) 6.012 12.094 ( 5.589 0.000 2.215) 6.012 12.222 ( -0.131 0.000 -2.918) 2.921 12.222 ( -0.131 0.000 2.918) 2.921 12.511 ( 0.966 0.000 -12.914) 12.950 12.511 ( 0.966 0.000 12.914) 12.950 12.573 ( 1.033 0.000 -8.627) 8.689 12.573 ( 1.033 0.000 8.627) 8.689 12.959 ( 5.018 0.000 -16.350) 17.102 12.959 ( 5.018 0.000 16.350) 17.102 13.190 ( 6.653 0.000 -3.606) 7.568 13.190 ( 6.653 0.000 3.606) 7.568 13.661 ( 0.919 0.000 -9.789) 9.832 13.661 ( 0.919 0.000 9.789) 9.832 13.864 ( -15.953 0.000 -8.242) 17.957 13.864 ( -15.953 0.000 8.242) 17.957 14.399 ( 2.988 0.000 -8.265) 8.788 14.399 ( 2.988 0.000 8.265) 8.788 14.518 ( -0.171 0.000 -9.775) 9.777 14.518 ( -0.171 0.000 9.775) 9.777 14.857 ( -3.778 0.000 -7.338) 8.254 14.857 ( -3.778 0.000 7.338) 8.254 15.014 ( -5.559 0.000 -1.871) 5.866 15.014 ( -5.559 0.000 1.871) 5.866 15.506 ( 0.527 0.000 -0.653) 0.840 15.506 ( 0.527 0.000 0.653) 0.840 15.625 ( -4.130 0.000 -2.370) 4.762 15.625 ( -4.130 0.000 2.370) 4.762 15.794 ( 2.216 0.000 -5.989) 6.386 15.794 ( 2.216 0.000 5.989) 6.386 15.874 ( -3.616 0.000 -0.525) 3.654 15.874 ( -3.616 0.000 0.525) 3.654 16.215 ( 6.262 0.000 -3.308) 7.083 16.215 ( 6.262 0.000 3.308) 7.083 16.367 ( -0.831 0.000 -2.098) 2.257 16.367 ( -0.831 0.000 2.098) 2.257 16.610 ( 3.972 0.000 -6.579) 7.685 16.610 ( 3.972 0.000 6.579) 7.685 16.897 ( -9.077 0.000 -3.580) 9.758 16.897 ( -9.077 0.000 3.580) 9.758 17.930 ( 14.496 0.000 -5.743) 15.592 17.930 ( 14.496 0.000 5.743) 15.592 18.092 ( 5.182 0.000 -5.655) 7.670 18.092 ( 5.182 0.000 5.655) 7.670 18.275 ( -1.324 0.000 -2.572) 2.893 18.275 ( -1.324 0.000 2.572) 2.893 18.323 ( -4.434 0.000 -0.017) 4.434 18.323 ( -4.434 0.000 0.017) 4.434 18.731 ( 3.625 0.000 -6.214) 7.194 18.731 ( 3.625 0.000 6.214) 7.194 19.031 ( -6.251 0.000 -3.890) 7.362 19.031 ( -6.251 0.000 3.890) 7.362 19.226 ( 5.904 0.000 -11.958) 13.337 19.226 ( 5.904 0.000 11.958) 13.337 19.611 ( -9.707 0.000 -5.155) 10.991 19.611 ( -9.707 0.000 5.155) 10.991 ======================= Grid point 94 (33/45) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -16.482 0.000 -15.386) 22.548 1.427 ( 16.482 0.000 -15.386) 22.548 1.427 ( -16.482 0.000 15.386) 22.548 1.427 ( 16.482 0.000 15.386) 22.548 1.613 ( -16.810 0.000 -18.926) 25.313 1.613 ( 16.810 0.000 -18.926) 25.313 1.613 ( -16.810 0.000 18.926) 25.313 1.613 ( 16.810 0.000 18.926) 25.313 2.545 ( -4.516 0.000 -6.415) 7.845 2.545 ( 4.516 0.000 -6.415) 7.845 2.545 ( -4.516 0.000 6.415) 7.845 2.545 ( 4.516 0.000 6.415) 7.845 2.696 ( -15.606 0.000 -17.733) 23.622 2.696 ( 15.606 0.000 -17.733) 23.622 2.696 ( -15.606 0.000 17.733) 23.622 2.696 ( 15.606 0.000 17.733) 23.622 2.835 ( -2.072 0.000 -0.676) 2.179 2.835 ( -2.072 0.000 0.676) 2.179 2.835 ( 2.072 0.000 -0.676) 2.179 2.835 ( 2.072 0.000 0.676) 2.179 3.032 ( -2.918 0.000 -5.139) 5.910 3.032 ( 2.918 0.000 -5.139) 5.910 3.032 ( -2.918 0.000 5.139) 5.910 3.032 ( 2.918 0.000 5.139) 5.910 3.131 ( -8.656 0.000 -1.787) 8.839 3.131 ( -8.656 0.000 1.787) 8.839 3.131 ( 8.656 0.000 -1.787) 8.839 3.131 ( 8.656 0.000 1.787) 8.839 3.441 ( -0.963 0.000 -0.675) 1.176 3.441 ( 0.963 0.000 -0.675) 1.176 3.441 ( -0.963 0.000 0.675) 1.176 3.441 ( 0.963 0.000 0.675) 1.176 3.532 ( -3.220 0.000 -4.779) 5.763 3.532 ( 3.220 0.000 -4.779) 5.763 3.532 ( -3.220 0.000 4.779) 5.763 3.532 ( 3.220 0.000 4.779) 5.763 3.611 ( -3.892 0.000 -1.935) 4.346 3.611 ( 3.892 0.000 -1.935) 4.346 3.611 ( -3.892 0.000 1.935) 4.346 3.611 ( 3.892 0.000 1.935) 4.346 3.855 ( -0.979 0.000 -1.777) 2.029 3.855 ( 0.979 0.000 -1.777) 2.029 3.855 ( -0.979 0.000 1.777) 2.029 3.855 ( 0.979 0.000 1.777) 2.029 3.983 ( -2.427 0.000 -1.279) 2.743 3.983 ( 2.427 0.000 -1.279) 2.743 3.983 ( -2.427 0.000 1.279) 2.743 3.983 ( 2.427 0.000 1.279) 2.743 4.075 ( -3.868 0.000 -4.566) 5.984 4.075 ( 3.868 0.000 -4.566) 5.984 4.075 ( -3.868 0.000 4.566) 5.984 4.075 ( 3.868 0.000 4.566) 5.984 4.454 ( -10.572 0.000 -0.069) 10.573 4.454 ( -10.572 0.000 0.069) 10.573 4.454 ( 10.572 0.000 -0.069) 10.573 4.454 ( 10.572 0.000 0.069) 10.573 4.813 ( -3.849 0.000 -4.932) 6.256 4.813 ( 3.849 0.000 -4.932) 6.256 4.813 ( -3.849 0.000 4.932) 6.256 4.813 ( 3.849 0.000 4.932) 6.256 5.071 ( -3.973 0.000 -2.461) 4.673 5.071 ( 3.973 0.000 -2.461) 4.673 5.071 ( -3.973 0.000 2.461) 4.673 5.071 ( 3.973 0.000 2.461) 4.673 5.537 ( -2.284 0.000 -2.874) 3.671 5.537 ( 2.284 0.000 -2.874) 3.671 5.537 ( -2.284 0.000 2.874) 3.671 5.537 ( 2.284 0.000 2.874) 3.671 5.856 ( -7.615 0.000 -5.127) 9.180 5.856 ( 7.615 0.000 -5.127) 9.180 5.856 ( -7.615 0.000 5.127) 9.180 5.856 ( 7.615 0.000 5.127) 9.180 7.740 ( -7.334 0.000 -1.429) 7.472 7.740 ( -7.334 0.000 1.429) 7.472 7.740 ( 7.334 0.000 -1.429) 7.472 7.740 ( 7.334 0.000 1.429) 7.472 8.019 ( -1.862 0.000 -7.441) 7.670 8.019 ( 1.862 0.000 -7.441) 7.670 8.019 ( -1.862 0.000 7.441) 7.670 8.019 ( 1.862 0.000 7.441) 7.670 8.581 ( -3.100 0.000 -4.512) 5.474 8.581 ( 3.100 0.000 -4.512) 5.474 8.581 ( -3.100 0.000 4.512) 5.474 8.581 ( 3.100 0.000 4.512) 5.474 8.930 ( -2.025 0.000 -3.409) 3.965 8.930 ( 2.025 0.000 -3.409) 3.965 8.930 ( -2.025 0.000 3.409) 3.965 8.930 ( 2.025 0.000 3.409) 3.965 9.128 ( -1.578 0.000 -6.406) 6.597 9.128 ( 1.578 0.000 -6.406) 6.597 9.128 ( -1.578 0.000 6.406) 6.597 9.128 ( 1.578 0.000 6.406) 6.597 9.411 ( -8.611 0.000 -2.741) 9.037 9.411 ( -8.611 0.000 2.741) 9.037 9.411 ( 8.612 0.000 -2.741) 9.037 9.411 ( 8.611 0.000 2.741) 9.037 9.794 ( -1.309 0.000 -2.395) 2.730 9.794 ( 1.309 0.000 -2.395) 2.730 9.794 ( -1.309 0.000 2.395) 2.730 9.794 ( 1.309 0.000 2.395) 2.730 9.951 ( -0.873 0.000 -1.951) 2.138 9.951 ( 0.873 0.000 -1.951) 2.138 9.951 ( -0.873 0.000 1.951) 2.138 9.951 ( 0.873 0.000 1.951) 2.138 10.312 ( -5.209 0.000 -1.145) 5.333 10.312 ( -5.209 0.000 1.145) 5.333 10.312 ( 5.209 0.000 -1.145) 5.333 10.312 ( 5.209 0.000 1.145) 5.333 10.416 ( -4.452 0.000 -8.836) 9.894 10.416 ( 4.452 0.000 -8.836) 9.894 10.416 ( -4.452 0.000 8.836) 9.894 10.416 ( 4.452 0.000 8.836) 9.894 10.719 ( -2.803 0.000 -0.051) 2.803 10.719 ( -2.803 0.000 0.051) 2.803 10.719 ( 2.803 0.000 -0.051) 2.803 10.719 ( 2.803 0.000 0.051) 2.803 11.283 ( -6.482 0.000 -0.135) 6.484 11.283 ( -6.482 0.000 0.135) 6.484 11.283 ( 6.482 0.000 -0.135) 6.484 11.283 ( 6.482 0.000 0.135) 6.484 11.785 ( -5.952 0.000 -6.975) 9.169 11.785 ( 5.952 0.000 -6.975) 9.169 11.785 ( -5.952 0.000 6.975) 9.169 11.785 ( 5.952 0.000 6.975) 9.169 12.196 ( -2.885 0.000 -0.491) 2.926 12.196 ( -2.885 0.000 0.491) 2.926 12.196 ( 2.885 0.000 -0.491) 2.926 12.196 ( 2.885 0.000 0.491) 2.926 12.554 ( -2.475 0.000 -10.084) 10.384 12.554 ( 2.475 0.000 -10.084) 10.384 12.554 ( -2.475 0.000 10.084) 10.384 12.554 ( 2.475 0.000 10.084) 10.384 13.169 ( -10.623 0.000 -9.998) 14.588 13.169 ( 10.623 0.000 -9.998) 14.588 13.169 ( -10.623 0.000 9.998) 14.588 13.169 ( 10.623 0.000 9.998) 14.588 13.659 ( -1.191 0.000 -10.395) 10.463 13.659 ( 1.191 0.000 -10.395) 10.463 13.659 ( -1.191 0.000 10.395) 10.463 13.659 ( 1.191 0.000 10.395) 10.463 14.453 ( -3.655 0.000 -9.872) 10.526 14.453 ( 3.655 0.000 -9.872) 10.526 14.453 ( -3.655 0.000 9.872) 10.526 14.453 ( 3.655 0.000 9.872) 10.526 14.894 ( -5.314 0.000 -2.902) 6.055 14.894 ( 5.314 0.000 -2.902) 6.055 14.894 ( -5.314 0.000 2.902) 6.055 14.894 ( 5.314 0.000 2.902) 6.055 15.541 ( -3.038 0.000 -1.384) 3.338 15.541 ( 3.038 0.000 -1.384) 3.338 15.541 ( -3.038 0.000 1.384) 3.338 15.541 ( 3.038 0.000 1.384) 3.338 15.831 ( -1.369 0.000 -4.483) 4.687 15.831 ( 1.369 0.000 -4.483) 4.687 15.831 ( -1.369 0.000 4.483) 4.687 15.831 ( 1.369 0.000 4.483) 4.687 16.319 ( -3.603 0.000 -2.487) 4.378 16.319 ( 3.603 0.000 -2.487) 4.378 16.319 ( -3.603 0.000 2.487) 4.378 16.319 ( 3.603 0.000 2.487) 4.378 16.729 ( -6.801 0.000 -5.914) 9.013 16.729 ( 6.801 0.000 -5.914) 9.013 16.729 ( -6.801 0.000 5.914) 9.013 16.729 ( 6.801 0.000 5.914) 9.013 18.162 ( -6.292 0.000 -4.102) 7.511 18.162 ( 6.292 0.000 -4.102) 7.511 18.162 ( -6.292 0.000 4.102) 7.511 18.162 ( 6.292 0.000 4.102) 7.511 18.228 ( -2.907 0.000 -6.075) 6.735 18.228 ( 2.907 0.000 -6.075) 6.735 18.228 ( -2.907 0.000 6.075) 6.735 18.228 ( 2.907 0.000 6.075) 6.735 18.866 ( -8.281 0.000 -6.426) 10.482 18.866 ( 8.281 0.000 -6.426) 10.482 18.866 ( -8.281 0.000 6.426) 10.482 18.866 ( 8.281 0.000 6.426) 10.482 19.394 ( -9.613 0.000 -9.878) 13.784 19.394 ( 9.613 0.000 -9.878) 13.784 19.394 ( -9.613 0.000 9.878) 13.784 19.394 ( 9.613 0.000 9.878) 13.784 ======================= Grid point 100 (34/45) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 9.411 -19.686) 21.820 1.094 ( 0.000 9.411 19.686) 21.820 1.173 ( 0.000 11.677 -20.326) 23.442 1.173 ( 0.000 11.677 20.326) 23.442 2.106 ( 0.000 6.150 -22.175) 23.012 2.106 ( 0.000 6.150 22.175) 23.012 2.227 ( 0.000 2.940 -3.988) 4.955 2.227 ( 0.000 2.940 3.988) 4.955 2.235 ( 0.000 2.488 -3.277) 4.114 2.235 ( 0.000 2.488 3.277) 4.114 2.291 ( 0.000 0.428 -6.820) 6.833 2.291 ( 0.000 0.428 6.820) 6.833 2.305 ( 0.000 0.624 -19.448) 19.458 2.305 ( 0.000 0.624 19.448) 19.458 2.701 ( 0.000 -3.438 -5.288) 6.307 2.701 ( 0.000 -3.438 5.288) 6.307 2.755 ( 0.000 -2.373 -9.031) 9.338 2.755 ( 0.000 -2.373 9.031) 9.338 2.869 ( 0.000 1.240 -9.679) 9.758 2.869 ( 0.000 1.240 9.679) 9.758 2.903 ( 0.000 0.137 -6.425) 6.427 2.903 ( 0.000 0.137 6.425) 6.427 3.054 ( 0.000 0.173 -4.847) 4.850 3.054 ( 0.000 0.173 4.847) 4.850 3.170 ( 0.000 -4.609 -7.824) 9.081 3.170 ( 0.000 -4.609 7.824) 9.081 3.322 ( 0.000 -3.247 -0.670) 3.316 3.322 ( 0.000 -3.247 0.670) 3.316 3.366 ( 0.000 1.877 -1.831) 2.622 3.366 ( 0.000 1.877 1.831) 2.622 3.404 ( 0.000 -5.076 -1.487) 5.289 3.404 ( 0.000 -5.076 1.487) 5.289 3.496 ( 0.000 -3.697 -3.947) 5.408 3.496 ( 0.000 -3.697 3.947) 5.408 3.635 ( 0.000 -1.481 -6.236) 6.410 3.635 ( 0.000 -1.481 6.236) 6.410 3.717 ( 0.000 -2.639 -6.160) 6.702 3.717 ( 0.000 -2.639 6.160) 6.702 3.722 ( 0.000 -0.895 -0.458) 1.005 3.722 ( 0.000 -0.895 0.458) 1.005 3.827 ( 0.000 -3.144 -4.211) 5.255 3.827 ( 0.000 -3.144 4.211) 5.255 3.899 ( 0.000 0.916 -1.396) 1.669 3.899 ( 0.000 0.916 1.396) 1.669 3.988 ( 0.000 3.105 -1.746) 3.562 3.988 ( 0.000 3.105 1.746) 3.562 4.004 ( 0.000 2.061 -3.746) 4.275 4.004 ( 0.000 2.061 3.746) 4.275 4.126 ( 0.000 -1.080 -2.519) 2.741 4.126 ( 0.000 -1.080 2.519) 2.741 4.214 ( 0.000 -1.073 -2.815) 3.013 4.214 ( 0.000 -1.073 2.815) 3.013 4.238 ( 0.000 4.506 -5.392) 7.027 4.238 ( 0.000 4.506 5.392) 7.027 4.629 ( 0.000 -0.589 -4.022) 4.065 4.629 ( 0.000 -0.589 4.022) 4.065 4.813 ( 0.000 -3.375 -6.226) 7.082 4.813 ( 0.000 -3.375 6.226) 7.082 4.826 ( 0.000 -2.155 -5.432) 5.844 4.826 ( 0.000 -2.155 5.432) 5.844 5.092 ( 0.000 3.055 -1.319) 3.328 5.092 ( 0.000 3.055 1.319) 3.328 5.246 ( 0.000 0.454 -3.669) 3.697 5.246 ( 0.000 0.454 3.669) 3.697 5.258 ( 0.000 -5.198 -3.995) 6.556 5.258 ( 0.000 -5.198 3.995) 6.556 5.351 ( 0.000 -1.694 -4.536) 4.842 5.351 ( 0.000 -1.694 4.536) 4.842 5.622 ( 0.000 0.124 -1.774) 1.778 5.622 ( 0.000 0.124 1.774) 1.778 5.985 ( 0.000 -4.836 -5.482) 7.310 5.985 ( 0.000 -4.836 5.482) 7.310 7.653 ( 0.000 10.474 -3.816) 11.148 7.653 ( 0.000 10.474 3.816) 11.148 8.002 ( 0.000 7.640 -9.933) 12.531 8.002 ( 0.000 7.640 9.933) 12.531 8.095 ( 0.000 8.217 -10.919) 13.666 8.095 ( 0.000 8.217 10.919) 13.666 8.131 ( 0.000 2.996 -6.900) 7.522 8.131 ( 0.000 2.996 6.900) 7.522 8.546 ( 0.000 1.356 -3.814) 4.048 8.546 ( 0.000 1.356 3.814) 4.048 8.679 ( 0.000 0.031 -0.948) 0.948 8.679 ( 0.000 0.031 0.948) 0.948 8.909 ( 0.000 -4.260 -2.435) 4.907 8.909 ( 0.000 -4.260 2.435) 4.907 8.944 ( 0.000 0.649 -9.479) 9.501 8.944 ( 0.000 0.649 9.479) 9.501 9.083 ( 0.000 -3.826 -7.981) 8.851 9.083 ( 0.000 -3.826 7.981) 8.851 9.122 ( 0.000 1.461 -2.679) 3.051 9.122 ( 0.000 1.461 2.679) 3.051 9.194 ( 0.000 -2.283 -5.194) 5.673 9.194 ( 0.000 -2.283 5.194) 5.673 9.550 ( 0.000 -0.398 -0.804) 0.898 9.550 ( 0.000 -0.398 0.804) 0.898 9.776 ( 0.000 -1.986 -6.549) 6.844 9.776 ( 0.000 -1.986 6.549) 6.844 9.919 ( 0.000 4.331 -6.045) 7.437 9.919 ( 0.000 4.331 6.045) 7.437 9.975 ( 0.000 -0.394 -6.267) 6.279 9.975 ( 0.000 -0.394 6.267) 6.279 10.020 ( 0.000 3.175 -6.920) 7.614 10.020 ( 0.000 3.175 6.920) 7.614 10.174 ( 0.000 -2.225 -2.472) 3.326 10.174 ( 0.000 -2.225 2.472) 3.326 10.387 ( 0.000 13.876 -6.685) 15.403 10.387 ( 0.000 13.876 6.685) 15.403 10.468 ( 0.000 1.952 -2.352) 3.056 10.468 ( 0.000 1.952 2.352) 3.056 10.536 ( 0.000 2.404 -10.971) 11.232 10.536 ( 0.000 2.404 10.971) 11.232 10.741 ( 0.000 -5.236 -3.031) 6.050 10.741 ( 0.000 -5.236 3.031) 6.050 10.848 ( 0.000 -0.095 -5.113) 5.114 10.848 ( 0.000 -0.095 5.113) 5.114 10.955 ( 0.000 -2.715 -1.915) 3.323 10.955 ( 0.000 -2.715 1.915) 3.323 11.386 ( 0.000 -6.979 -8.378) 10.904 11.386 ( 0.000 -6.979 8.378) 10.904 11.682 ( 0.000 -1.458 -2.315) 2.735 11.682 ( 0.000 -1.458 2.315) 2.735 11.759 ( 0.000 1.196 -1.910) 2.254 11.759 ( 0.000 1.196 1.910) 2.254 12.022 ( 0.000 -1.467 -3.045) 3.380 12.022 ( 0.000 -1.467 3.045) 3.380 12.220 ( 0.000 -0.256 -4.309) 4.316 12.220 ( 0.000 -0.256 4.309) 4.316 12.492 ( 0.000 -0.597 -17.154) 17.164 12.492 ( 0.000 -0.597 17.154) 17.164 12.572 ( 0.000 1.372 -5.832) 5.992 12.572 ( 0.000 1.372 5.832) 5.992 12.954 ( 0.000 1.758 -16.667) 16.760 12.954 ( 0.000 1.758 16.667) 16.760 13.123 ( 0.000 3.770 -6.315) 7.355 13.123 ( 0.000 3.770 6.315) 7.355 13.642 ( 0.000 0.121 -7.729) 7.730 13.642 ( 0.000 0.121 7.729) 7.730 14.076 ( 0.000 -4.275 -21.371) 21.794 14.076 ( 0.000 -4.275 21.371) 21.794 14.291 ( 0.000 -0.292 -4.781) 4.789 14.291 ( 0.000 -0.292 4.781) 4.789 14.486 ( 0.000 -1.820 -9.519) 9.691 14.486 ( 0.000 -1.820 9.519) 9.691 14.937 ( 0.000 0.290 -9.434) 9.438 14.937 ( 0.000 0.290 9.434) 9.438 15.115 ( 0.000 1.476 -2.232) 2.676 15.115 ( 0.000 1.476 2.232) 2.676 15.530 ( 0.000 2.482 -0.852) 2.624 15.530 ( 0.000 2.482 0.852) 2.624 15.687 ( 0.000 0.535 -4.607) 4.638 15.687 ( 0.000 0.535 4.607) 4.638 15.775 ( 0.000 1.832 -6.181) 6.447 15.775 ( 0.000 1.832 6.181) 6.447 15.994 ( 0.000 2.119 -4.995) 5.426 15.994 ( 0.000 2.119 4.995) 5.426 16.148 ( 0.000 4.622 -1.453) 4.845 16.148 ( 0.000 4.622 1.453) 4.845 16.344 ( 0.000 -1.763 -2.319) 2.914 16.344 ( 0.000 -1.763 2.319) 2.914 16.595 ( 0.000 2.219 -5.893) 6.297 16.595 ( 0.000 2.219 5.893) 6.297 16.864 ( 0.000 -15.617 -2.427) 15.804 16.864 ( 0.000 -15.617 2.427) 15.804 17.703 ( 0.000 0.788 -3.972) 4.049 17.703 ( 0.000 0.788 3.972) 4.049 18.024 ( 0.000 -0.862 -6.648) 6.704 18.024 ( 0.000 -0.862 6.648) 6.704 18.286 ( 0.000 0.115 -2.939) 2.942 18.286 ( 0.000 0.115 2.939) 2.942 18.330 ( 0.000 -3.521 -1.921) 4.011 18.330 ( 0.000 -3.521 1.921) 4.011 18.704 ( 0.000 0.399 -4.845) 4.861 18.704 ( 0.000 0.399 4.845) 4.861 19.062 ( 0.000 -4.346 -4.300) 6.113 19.062 ( 0.000 -4.346 4.300) 6.113 19.108 ( 0.000 -4.109 -14.082) 14.669 19.108 ( 0.000 -4.109 14.082) 14.669 19.579 ( 0.000 -12.221 -6.192) 13.701 19.579 ( 0.000 -12.221 6.192) 13.701 ======================= Grid point 102 (35/45) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 8.955 10.012 -15.052) 20.174 1.256 ( 8.955 10.012 15.052) 20.174 1.329 ( 16.549 8.778 -14.200) 23.507 1.329 ( 16.549 8.778 14.200) 23.507 1.853 ( -17.134 3.846 -8.545) 19.529 1.853 ( -17.134 3.846 8.545) 19.529 1.988 ( -12.858 3.739 -16.156) 20.984 1.988 ( -12.858 3.739 16.156) 20.984 2.304 ( 11.147 6.628 -22.549) 26.013 2.304 ( 11.147 6.628 22.549) 26.013 2.462 ( 7.441 -1.254 -1.597) 7.713 2.462 ( 7.441 -1.254 1.597) 7.713 2.541 ( 8.468 0.376 -3.114) 9.030 2.541 ( 8.468 0.376 3.114) 9.030 2.730 ( 3.089 -3.704 -3.582) 6.008 2.730 ( 3.089 -3.704 3.582) 6.008 2.798 ( 1.481 -3.973 -6.989) 8.175 2.798 ( 1.481 -3.973 6.989) 8.175 2.816 ( 0.489 -1.623 -0.417) 1.745 2.816 ( 0.489 -1.623 0.417) 1.745 2.986 ( 3.392 0.424 -2.928) 4.501 2.986 ( 3.392 0.424 2.928) 4.501 3.060 ( -1.688 0.432 -0.743) 1.894 3.060 ( -1.688 0.432 0.743) 1.894 3.160 ( -5.116 -2.149 -6.429) 8.493 3.160 ( -5.116 -2.149 6.429) 8.493 3.226 ( -3.547 -2.019 -2.662) 4.872 3.226 ( -3.547 -2.019 2.662) 4.872 3.345 ( 1.254 -4.475 -2.827) 5.439 3.345 ( 1.254 -4.475 2.827) 5.439 3.448 ( 0.883 -0.702 -2.105) 2.388 3.448 ( 0.883 -0.702 2.105) 2.388 3.490 ( -0.727 -2.501 -3.014) 3.984 3.490 ( -0.727 -2.501 3.014) 3.984 3.622 ( -2.071 -1.104 -4.868) 5.405 3.622 ( -2.071 -1.104 4.868) 5.405 3.646 ( -3.440 2.397 -4.830) 6.396 3.646 ( -3.440 2.397 4.830) 6.396 3.700 ( -1.961 2.051 -2.857) 4.026 3.700 ( -1.961 2.051 2.857) 4.026 3.837 ( 0.888 -3.533 -1.186) 3.831 3.837 ( 0.888 -3.533 1.186) 3.831 3.881 ( -1.495 -0.101 -1.239) 1.944 3.881 ( -1.495 -0.101 1.239) 1.944 3.927 ( -3.443 1.045 -3.380) 4.936 3.927 ( -3.443 1.045 3.380) 4.936 4.027 ( -1.820 0.113 -1.059) 2.109 4.027 ( -1.820 0.113 1.059) 2.109 4.086 ( -0.877 2.583 -0.796) 2.841 4.086 ( -0.877 2.583 0.796) 2.841 4.164 ( -1.495 -2.322 -0.499) 2.806 4.164 ( -1.495 -2.322 0.499) 2.806 4.245 ( -0.158 -1.165 -2.413) 2.684 4.245 ( -0.158 -1.165 2.413) 2.684 4.573 ( -7.286 -3.998 -2.280) 8.618 4.573 ( -7.286 -3.998 2.280) 8.618 4.747 ( 4.674 0.857 -2.418) 5.331 4.747 ( 4.674 0.857 2.418) 5.331 4.938 ( 1.231 3.621 -2.708) 4.686 4.938 ( 1.231 3.621 2.708) 4.686 5.054 ( -0.492 3.114 -3.274) 4.545 5.054 ( -0.492 3.114 3.274) 4.545 5.177 ( -3.472 0.999 -3.301) 4.894 5.177 ( -3.472 0.999 3.301) 4.894 5.377 ( 5.791 -6.755 -2.102) 9.143 5.377 ( 5.791 -6.755 2.102) 9.143 5.435 ( 4.367 -4.594 -3.701) 7.340 5.435 ( 4.367 -4.594 3.701) 7.340 5.682 ( 5.710 -0.501 -1.449) 5.912 5.682 ( 5.710 -0.501 1.449) 5.912 5.940 ( -4.059 -4.250 -4.789) 7.582 5.940 ( -4.059 -4.250 4.789) 7.582 7.705 ( 4.630 9.580 -3.599) 11.232 7.705 ( 4.630 9.580 3.599) 11.232 7.952 ( -4.567 6.705 -4.982) 9.520 7.952 ( -4.567 6.705 4.982) 9.520 8.085 ( 0.311 7.212 -6.241) 9.543 8.085 ( 0.311 7.212 6.241) 9.543 8.139 ( -0.521 6.625 -3.634) 7.574 8.139 ( -0.521 6.625 3.634) 7.574 8.553 ( 0.830 1.497 -4.395) 4.716 8.553 ( 0.830 1.497 4.395) 4.716 8.650 ( -2.444 0.275 -2.451) 3.472 8.650 ( -2.444 0.275 2.451) 3.472 8.899 ( -0.157 -1.849 -4.111) 4.510 8.899 ( -0.157 -1.849 4.111) 4.510 8.951 ( -0.373 -1.068 -4.413) 4.555 8.951 ( -0.373 -1.068 4.413) 4.555 9.080 ( 0.617 -2.205 -6.097) 6.512 9.080 ( 0.617 -2.205 6.097) 6.512 9.144 ( -0.519 -1.551 -3.146) 3.545 9.144 ( -0.519 -1.551 3.146) 3.545 9.233 ( 5.550 -0.595 -2.117) 5.970 9.233 ( 5.550 -0.595 2.117) 5.970 9.523 ( -3.086 -1.084 -0.218) 3.278 9.523 ( -3.086 -1.084 0.218) 3.278 9.776 ( 0.507 -0.968 -4.764) 4.887 9.776 ( 0.507 -0.968 4.764) 4.887 9.884 ( -2.792 3.839 -3.215) 5.733 9.884 ( -2.792 3.839 3.215) 5.733 9.955 ( -1.492 0.668 -4.421) 4.714 9.955 ( -1.492 0.668 4.421) 4.714 9.981 ( -2.375 0.403 -2.821) 3.710 9.981 ( -2.375 0.403 2.821) 3.710 10.220 ( 3.372 -1.351 -1.407) 3.896 10.220 ( 3.372 -1.351 1.407) 3.896 10.380 ( -0.255 7.336 -3.542) 8.150 10.380 ( -0.255 7.336 3.542) 8.150 10.445 ( -2.282 1.665 -1.333) 3.124 10.445 ( -2.282 1.665 1.333) 3.124 10.529 ( -2.004 3.185 -5.791) 6.907 10.529 ( -2.004 3.185 5.791) 6.907 10.676 ( -1.823 -2.463 -1.927) 3.620 10.676 ( -1.823 -2.463 1.927) 3.620 10.800 ( -3.551 0.476 -3.994) 5.365 10.800 ( -3.551 0.476 3.994) 5.365 11.078 ( 7.978 -4.002 -1.141) 8.998 11.078 ( 7.978 -4.002 1.141) 8.998 11.344 ( -4.006 -5.592 -4.955) 8.478 11.344 ( -4.006 -5.592 4.955) 8.478 11.656 ( 2.809 -0.847 -2.764) 4.031 11.656 ( 2.809 -0.847 2.764) 4.031 11.844 ( -0.106 -1.391 -5.037) 5.226 11.844 ( -0.106 -1.391 5.037) 5.226 12.083 ( 6.465 -1.072 -1.326) 6.686 12.083 ( 6.465 -1.072 1.326) 6.686 12.239 ( 0.713 1.473 -3.684) 4.031 12.239 ( 0.713 1.473 3.684) 4.031 12.500 ( 0.857 -1.172 -12.207) 12.293 12.500 ( 0.857 -1.172 12.207) 12.293 12.571 ( -0.213 0.075 -4.467) 4.472 12.571 ( -0.213 0.075 4.467) 4.472 12.980 ( 5.066 2.028 -15.528) 16.459 12.980 ( 5.066 2.028 15.528) 16.459 13.224 ( 6.118 3.016 -4.583) 8.218 13.224 ( 6.118 3.016 4.583) 8.218 13.658 ( 0.488 -0.335 -8.845) 8.865 13.658 ( 0.488 -0.335 8.845) 8.865 13.837 ( -15.111 -2.369 -9.237) 17.868 13.837 ( -15.111 -2.369 9.237) 17.868 14.386 ( 3.286 -1.112 -7.203) 7.995 14.386 ( 3.286 -1.112 7.203) 7.995 14.500 ( 0.281 -1.659 -9.001) 9.157 14.500 ( 0.281 -1.659 9.001) 9.157 14.864 ( -3.993 0.634 -7.651) 8.654 14.864 ( -3.993 0.634 7.651) 8.654 15.019 ( -6.406 0.359 -2.548) 6.903 15.019 ( -6.406 0.359 2.548) 6.903 15.533 ( 0.506 2.487 -1.545) 2.971 15.533 ( 0.506 2.487 1.545) 2.971 15.638 ( -3.600 1.208 -2.999) 4.839 15.638 ( -3.600 1.208 2.999) 4.839 15.816 ( 2.503 1.978 -5.054) 5.977 15.816 ( 2.503 1.978 5.054) 5.977 15.910 ( -3.452 3.162 -0.779) 4.745 15.910 ( -3.452 3.162 0.779) 4.745 16.258 ( 5.584 3.405 -2.633) 7.051 16.258 ( 5.584 3.405 2.633) 7.051 16.355 ( 0.425 -0.850 -2.195) 2.392 16.355 ( 0.425 -0.850 2.195) 2.392 16.616 ( 2.175 0.835 -6.273) 6.692 16.616 ( 2.175 0.835 6.273) 6.692 16.787 ( -5.174 -9.876 -1.562) 11.258 16.787 ( -5.174 -9.876 1.562) 11.258 17.895 ( 13.042 -2.774 -4.927) 14.215 17.895 ( 13.042 -2.774 4.927) 14.215 18.077 ( 4.531 -1.521 -5.605) 7.366 18.077 ( 4.531 -1.521 5.605) 7.366 18.272 ( -2.063 -0.698 -1.282) 2.527 18.272 ( -2.063 -0.698 1.282) 2.527 18.290 ( -3.196 -2.302 -1.540) 4.229 18.290 ( -3.196 -2.302 1.540) 4.229 18.724 ( 2.684 -0.536 -5.507) 6.150 18.724 ( 2.684 -0.536 5.507) 6.150 18.991 ( -5.870 -3.592 -4.059) 7.990 18.991 ( -5.870 -3.592 4.059) 7.990 19.174 ( 5.414 -4.764 -12.050) 14.043 19.174 ( 5.414 -4.764 12.050) 14.043 19.493 ( -7.158 -9.757 -7.984) 14.497 19.493 ( -7.158 -9.757 7.984) 14.497 ======================= Grid point 104 (36/45) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -14.517 7.338 -13.267) 20.991 1.508 ( 14.499 7.338 -13.265) 20.977 1.508 ( -14.499 7.338 13.265) 20.977 1.508 ( 14.517 7.338 13.267) 20.991 1.685 ( -15.523 6.569 -17.641) 24.399 1.685 ( 15.509 6.569 -17.640) 24.389 1.685 ( -15.509 6.569 17.640) 24.389 1.685 ( 15.523 6.569 17.641) 24.399 2.538 ( -3.351 -0.724 -6.795) 7.611 2.538 ( 3.118 -0.724 -6.783) 7.500 2.538 ( -3.118 -0.724 6.783) 7.500 2.538 ( 3.351 -0.724 6.795) 7.611 2.703 ( -9.660 -0.368 -11.960) 15.378 2.703 ( 9.511 -0.368 -11.947) 15.275 2.703 ( -9.511 -0.368 11.947) 15.275 2.703 ( 9.660 -0.368 11.960) 15.378 2.802 ( -3.771 -1.408 -3.484) 5.324 2.802 ( 3.765 -1.408 -3.484) 5.319 2.802 ( -3.765 -1.408 3.484) 5.319 2.802 ( 3.771 -1.408 3.484) 5.324 3.002 ( -5.675 -4.371 -7.054) 10.053 3.002 ( 5.531 -4.371 -7.041) 9.964 3.002 ( -5.531 -4.371 7.041) 9.964 3.002 ( 5.675 -4.371 7.054) 10.053 3.133 ( -6.698 1.371 -1.870) 7.088 3.133 ( -5.296 1.371 1.276) 5.617 3.133 ( 5.296 1.371 -1.276) 5.617 3.133 ( 6.698 1.371 1.870) 7.088 3.415 ( -2.596 -2.985 -2.668) 4.772 3.415 ( 1.898 -2.985 -2.602) 4.392 3.415 ( -1.898 -2.985 2.602) 4.392 3.415 ( 2.596 -2.985 2.668) 4.772 3.536 ( -2.878 1.048 -6.400) 7.095 3.536 ( 1.856 1.048 -6.358) 6.706 3.536 ( -1.856 1.048 6.358) 6.706 3.536 ( 2.878 1.048 6.400) 7.095 3.648 ( -3.638 2.861 -1.233) 4.790 3.648 ( -0.521 2.861 -0.280) 2.922 3.648 ( 0.521 2.861 0.280) 2.922 3.648 ( 3.638 2.861 1.233) 4.790 3.846 ( -1.237 -0.907 -3.883) 4.175 3.846 ( 0.704 -0.907 -3.868) 4.035 3.846 ( -0.704 -0.907 3.868) 4.035 3.846 ( 1.237 -0.907 3.883) 4.175 3.961 ( -4.442 -2.271 -1.272) 5.148 3.961 ( -2.393 -2.271 -0.248) 3.308 3.961 ( 2.393 -2.271 0.248) 3.308 3.961 ( 4.442 -2.271 1.272) 5.148 4.074 ( -1.503 0.520 -2.227) 2.737 4.074 ( 1.496 0.520 -2.227) 2.733 4.074 ( -1.496 0.520 2.227) 2.733 4.074 ( 1.503 0.520 2.227) 2.737 4.389 ( -9.113 -4.118 -1.468) 10.108 4.389 ( -8.862 -4.118 1.287) 9.857 4.389 ( 8.862 -4.118 -1.287) 9.857 4.389 ( 9.113 -4.118 1.468) 10.108 4.878 ( -5.151 4.911 -4.577) 8.462 4.878 ( 3.044 4.911 -4.363) 7.240 4.878 ( -3.044 4.911 4.363) 7.240 4.878 ( 5.151 4.911 4.577) 8.462 5.098 ( -3.665 1.601 -3.394) 5.245 5.098 ( 3.663 1.601 -3.394) 5.244 5.098 ( -3.663 1.601 3.394) 5.244 5.098 ( 3.665 1.601 3.394) 5.245 5.464 ( -1.549 -6.399 -1.628) 6.782 5.464 ( 1.139 -6.399 -1.590) 6.691 5.464 ( -1.139 -6.399 1.590) 6.691 5.464 ( 1.549 -6.399 1.628) 6.782 5.823 ( -6.550 -2.599 -3.164) 7.724 5.823 ( 6.381 -2.599 -3.125) 7.566 5.823 ( -6.381 -2.599 3.125) 7.566 5.823 ( 6.550 -2.599 3.164) 7.724 7.829 ( -6.340 7.497 -2.628) 10.165 7.829 ( 2.747 7.497 -1.811) 8.188 7.829 ( -2.747 7.497 1.811) 8.188 7.829 ( 6.340 7.497 2.628) 10.165 8.109 ( -0.429 7.978 -7.078) 10.674 8.109 ( 0.159 7.978 -7.077) 10.666 8.109 ( -0.159 7.978 7.077) 10.666 8.109 ( 0.429 7.978 7.078) 10.674 8.591 ( -2.518 0.974 -4.649) 5.376 8.591 ( 2.353 0.974 -4.639) 5.293 8.591 ( -2.353 0.974 4.639) 5.293 8.591 ( 2.518 0.974 4.649) 5.376 8.920 ( -1.600 -1.025 -3.711) 4.169 8.920 ( 1.356 -1.025 -3.700) 4.072 8.920 ( -1.356 -1.025 3.700) 4.072 8.920 ( 1.600 -1.025 3.711) 4.169 9.111 ( -1.332 -1.750 -6.810) 7.156 9.111 ( 1.122 -1.750 -6.805) 7.116 9.111 ( -1.122 -1.750 6.805) 7.116 9.111 ( 1.332 -1.750 6.810) 7.156 9.399 ( -8.223 -1.411 -0.549) 8.362 9.399 ( -8.203 -1.411 0.514) 8.340 9.399 ( 8.203 -1.411 -0.514) 8.340 9.399 ( 8.223 -1.411 0.549) 8.362 9.815 ( -2.292 1.336 -3.206) 4.161 9.815 ( 0.947 1.336 -3.129) 3.532 9.815 ( -0.947 1.336 3.129) 3.532 9.815 ( 2.292 1.336 3.206) 4.161 9.944 ( -0.130 0.306 -4.600) 4.612 9.944 ( 0.064 0.306 -4.600) 4.611 9.944 ( -0.064 0.306 4.600) 4.611 9.944 ( 0.130 0.306 4.600) 4.612 10.314 ( -4.778 -0.249 -4.251) 6.400 10.314 ( 3.527 -0.249 -4.113) 5.423 10.314 ( -3.527 -0.249 4.113) 5.423 10.314 ( 4.778 -0.249 4.251) 6.400 10.455 ( -3.055 3.109 -5.959) 7.383 10.455 ( 2.951 3.109 -5.953) 7.336 10.455 ( -2.951 3.109 5.953) 7.336 10.455 ( 3.055 3.109 5.959) 7.383 10.715 ( -3.680 0.424 -2.279) 4.349 10.715 ( 2.132 0.424 -2.048) 2.987 10.715 ( -2.132 0.424 2.048) 2.987 10.715 ( 3.680 0.424 2.279) 4.349 11.233 ( -6.147 -4.460 -1.796) 7.804 11.233 ( -2.999 -4.460 0.157) 5.377 11.233 ( 2.999 -4.460 -0.157) 5.377 11.233 ( 6.147 -4.460 1.796) 7.804 11.764 ( -5.304 -1.821 -6.807) 8.820 11.764 ( 4.443 -1.821 -6.738) 8.274 11.764 ( -4.443 -1.821 6.738) 8.274 11.764 ( 5.304 -1.821 6.807) 8.820 12.209 ( -3.936 0.927 -1.925) 4.479 12.209 ( 3.533 0.927 -1.835) 4.087 12.209 ( -3.533 0.927 1.835) 4.087 12.209 ( 3.936 0.927 1.925) 4.479 12.540 ( -1.647 -1.206 -10.053) 10.258 12.540 ( 1.397 -1.206 -10.049) 10.217 12.540 ( -1.397 -1.206 10.049) 10.217 12.540 ( 1.647 -1.206 10.053) 10.258 13.189 ( -10.945 1.850 -9.598) 14.674 13.189 ( 10.829 1.850 -9.583) 14.578 13.189 ( -10.829 1.850 9.583) 14.578 13.189 ( 10.945 1.850 9.598) 14.674 13.649 ( -1.507 -0.902 -10.608) 10.752 13.649 ( 1.490 -0.902 -10.608) 10.750 13.649 ( -1.490 -0.902 10.608) 10.750 13.649 ( 1.507 -0.902 10.608) 10.752 14.446 ( -3.540 -0.649 -10.132) 10.752 14.446 ( 3.494 -0.649 -10.130) 10.735 14.446 ( -3.494 -0.649 10.130) 10.735 14.446 ( 3.540 -0.649 10.132) 10.752 14.890 ( -4.782 -0.349 -4.273) 6.422 14.890 ( 3.222 -0.349 -4.107) 5.232 14.890 ( -3.222 -0.349 4.107) 5.232 14.890 ( 4.782 -0.349 4.273) 6.422 15.565 ( -2.666 2.144 -2.332) 4.140 15.565 ( 2.665 2.144 -2.332) 4.140 15.565 ( -2.665 2.144 2.332) 4.140 15.565 ( 2.666 2.144 2.332) 4.140 15.862 ( -1.341 2.801 -4.457) 5.432 15.862 ( 1.051 2.801 -4.448) 5.361 15.862 ( -1.051 2.801 4.448) 5.361 15.862 ( 1.341 2.801 4.457) 5.432 16.339 ( -2.148 1.522 -2.003) 3.308 16.339 ( 2.147 1.522 -2.003) 3.307 16.339 ( -2.147 1.522 2.003) 3.307 16.339 ( 2.148 1.522 2.003) 3.308 16.686 ( -3.971 -3.551 -6.059) 8.068 16.686 ( 3.675 -3.551 -6.038) 7.910 16.686 ( -3.675 -3.551 6.038) 7.910 16.686 ( 3.971 -3.551 6.059) 8.068 18.113 ( -5.968 -4.206 -3.422) 8.063 18.113 ( 5.965 -4.206 -3.422) 8.061 18.113 ( -5.965 -4.206 3.422) 8.061 18.113 ( 5.968 -4.206 3.422) 8.063 18.228 ( -2.424 -0.151 -6.075) 6.543 18.228 ( 2.403 -0.151 -6.074) 6.534 18.228 ( -2.403 -0.151 6.074) 6.534 18.228 ( 2.424 -0.151 6.075) 6.543 18.839 ( -7.475 -2.418 -5.752) 9.737 18.839 ( 7.475 -2.418 -5.752) 9.737 18.839 ( -7.475 -2.418 5.752) 9.737 18.839 ( 7.475 -2.418 5.752) 9.737 19.321 ( -7.975 -6.322 -10.663) 14.740 19.321 ( 7.788 -6.322 -10.647) 14.628 19.321 ( -7.788 -6.322 10.647) 14.628 19.321 ( 7.975 -6.322 10.663) 14.740 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 13.699 -14.275) 19.785 1.345 ( 0.000 13.699 14.275) 19.785 1.465 ( 0.000 15.282 -15.061) 21.456 1.465 ( 0.000 15.282 15.061) 21.456 2.193 ( 0.000 -2.965 -9.284) 9.746 2.193 ( 0.000 -2.965 9.284) 9.746 2.228 ( 0.000 3.336 -2.931) 4.441 2.228 ( 0.000 3.336 2.931) 4.441 2.273 ( 0.000 0.505 -2.197) 2.255 2.273 ( 0.000 0.505 2.197) 2.255 2.340 ( 0.000 4.540 -10.217) 11.180 2.340 ( 0.000 4.540 10.217) 11.180 2.460 ( 0.000 11.420 -17.807) 21.154 2.460 ( 0.000 11.420 17.807) 21.154 2.635 ( 0.000 -1.990 -9.402) 9.610 2.635 ( 0.000 -1.990 9.402) 9.610 2.686 ( 0.000 -3.611 -10.767) 11.356 2.686 ( 0.000 -3.611 10.767) 11.356 2.874 ( 0.000 -3.195 -8.899) 9.455 2.874 ( 0.000 -3.195 8.899) 9.455 2.895 ( 0.000 -0.649 -6.270) 6.303 2.895 ( 0.000 -0.649 6.270) 6.303 3.049 ( 0.000 -0.136 -2.045) 2.050 3.049 ( 0.000 -0.136 2.045) 2.050 3.067 ( 0.000 -4.470 -3.664) 5.780 3.067 ( 0.000 -4.470 3.664) 5.780 3.205 ( 0.000 -6.627 -2.936) 7.248 3.205 ( 0.000 -6.627 2.936) 7.248 3.268 ( 0.000 -7.522 -2.968) 8.087 3.268 ( 0.000 -7.522 2.968) 8.087 3.381 ( 0.000 -1.457 -4.120) 4.370 3.381 ( 0.000 -1.457 4.120) 4.370 3.450 ( 0.000 -0.763 -4.308) 4.375 3.450 ( 0.000 -0.763 4.308) 4.375 3.593 ( 0.000 -2.067 -7.332) 7.617 3.593 ( 0.000 -2.067 7.332) 7.617 3.599 ( 0.000 -7.029 -3.677) 7.933 3.599 ( 0.000 -7.029 3.677) 7.933 3.735 ( 0.000 2.695 -4.409) 5.168 3.735 ( 0.000 2.695 4.409) 5.168 3.760 ( 0.000 -3.908 -4.044) 5.624 3.760 ( 0.000 -3.908 4.044) 5.624 3.898 ( 0.000 -1.485 -0.620) 1.609 3.898 ( 0.000 -1.485 0.620) 1.609 4.054 ( 0.000 3.337 -2.051) 3.917 4.054 ( 0.000 3.337 2.051) 3.917 4.060 ( 0.000 2.266 -3.529) 4.194 4.060 ( 0.000 2.266 3.529) 4.194 4.147 ( 0.000 -2.640 -2.518) 3.648 4.147 ( 0.000 -2.640 2.518) 3.648 4.168 ( 0.000 5.030 -3.825) 6.319 4.168 ( 0.000 5.030 3.825) 6.319 4.384 ( 0.000 8.596 -2.701) 9.010 4.384 ( 0.000 8.596 2.701) 9.010 4.640 ( 0.000 0.410 -2.604) 2.636 4.640 ( 0.000 0.410 2.604) 2.636 4.734 ( 0.000 -3.727 -7.718) 8.571 4.734 ( 0.000 -3.727 7.718) 8.571 4.789 ( 0.000 -0.414 -6.719) 6.732 4.789 ( 0.000 -0.414 6.719) 6.732 5.120 ( 0.000 -7.368 -4.292) 8.527 5.120 ( 0.000 -7.368 4.292) 8.527 5.133 ( 0.000 -0.739 -3.273) 3.356 5.133 ( 0.000 -0.739 3.273) 3.356 5.218 ( 0.000 -2.964 -2.956) 4.186 5.218 ( 0.000 -2.964 2.956) 4.186 5.296 ( 0.000 -3.658 -1.183) 3.845 5.296 ( 0.000 -3.658 1.183) 3.845 5.658 ( 0.000 3.043 -5.405) 6.203 5.658 ( 0.000 3.043 5.405) 6.203 5.880 ( 0.000 -4.216 -0.437) 4.239 5.880 ( 0.000 -4.216 0.437) 4.239 7.925 ( 0.000 14.233 -3.070) 14.560 7.925 ( 0.000 14.233 3.070) 14.560 8.193 ( 0.000 9.003 -5.195) 10.395 8.193 ( 0.000 9.003 5.195) 10.395 8.220 ( 0.000 5.327 -5.626) 7.748 8.220 ( 0.000 5.327 5.626) 7.748 8.258 ( 0.000 7.424 -5.183) 9.054 8.258 ( 0.000 7.424 5.183) 9.054 8.593 ( 0.000 3.226 -2.477) 4.067 8.593 ( 0.000 3.226 2.477) 4.067 8.688 ( 0.000 0.767 -2.431) 2.549 8.688 ( 0.000 0.767 2.431) 2.549 8.816 ( 0.000 -4.467 -2.166) 4.965 8.816 ( 0.000 -4.467 2.166) 4.965 8.946 ( 0.000 -2.006 -4.433) 4.866 8.946 ( 0.000 -2.006 4.433) 4.866 9.007 ( 0.000 -1.323 -6.625) 6.756 9.007 ( 0.000 -1.323 6.625) 6.756 9.118 ( 0.000 -4.911 -4.865) 6.913 9.118 ( 0.000 -4.911 4.865) 6.913 9.135 ( 0.000 -0.602 -2.495) 2.567 9.135 ( 0.000 -0.602 2.495) 2.567 9.509 ( 0.000 -3.872 -2.341) 4.525 9.509 ( 0.000 -3.872 2.341) 4.525 9.738 ( 0.000 -0.568 -4.800) 4.833 9.738 ( 0.000 -0.568 4.800) 4.833 9.946 ( 0.000 -0.108 -7.162) 7.162 9.946 ( 0.000 -0.108 7.162) 7.162 9.954 ( 0.000 -1.630 -6.114) 6.327 9.954 ( 0.000 -1.630 6.114) 6.327 10.122 ( 0.000 5.748 -5.687) 8.086 10.122 ( 0.000 5.748 5.687) 8.086 10.146 ( 0.000 -0.329 -3.972) 3.985 10.146 ( 0.000 -0.329 3.972) 3.985 10.452 ( 0.000 -4.001 -3.462) 5.291 10.452 ( 0.000 -4.001 3.462) 5.291 10.524 ( 0.000 0.692 -10.942) 10.964 10.524 ( 0.000 0.692 10.942) 10.964 10.636 ( 0.000 -4.586 -4.215) 6.229 10.636 ( 0.000 -4.586 4.215) 6.229 10.693 ( 0.000 4.126 -1.436) 4.369 10.693 ( 0.000 4.126 1.436) 4.369 10.858 ( 0.000 1.750 -9.513) 9.673 10.858 ( 0.000 1.750 9.513) 9.673 10.975 ( 0.000 7.673 -7.156) 10.492 10.975 ( 0.000 7.673 7.156) 10.492 11.214 ( 0.000 -8.778 -8.950) 12.536 11.214 ( 0.000 -8.778 8.950) 12.536 11.645 ( 0.000 -1.624 -5.439) 5.677 11.645 ( 0.000 -1.624 5.439) 5.677 11.770 ( 0.000 -0.337 -3.259) 3.277 11.770 ( 0.000 -0.337 3.259) 3.277 12.000 ( 0.000 -0.123 -0.648) 0.659 12.000 ( 0.000 -0.123 0.648) 0.659 12.205 ( 0.000 -1.277 -8.383) 8.480 12.205 ( 0.000 -1.277 8.383) 8.480 12.484 ( 0.000 0.006 -16.586) 16.586 12.484 ( 0.000 0.006 16.586) 16.586 12.601 ( 0.000 0.880 -7.778) 7.827 12.601 ( 0.000 0.880 7.778) 7.827 13.017 ( 0.000 4.570 -13.823) 14.558 13.017 ( 0.000 4.570 13.823) 14.558 13.219 ( 0.000 4.836 -7.385) 8.828 13.219 ( 0.000 4.836 7.385) 8.828 13.643 ( 0.000 -0.034 -4.658) 4.658 13.643 ( 0.000 -0.034 4.658) 4.658 13.962 ( 0.000 -6.271 -18.970) 19.980 13.962 ( 0.000 -6.271 18.970) 19.980 14.288 ( 0.000 0.163 -5.339) 5.342 14.288 ( 0.000 0.163 5.339) 5.342 14.437 ( 0.000 -2.688 -8.398) 8.818 14.437 ( 0.000 -2.688 8.398) 8.818 14.949 ( 0.000 0.980 -10.211) 10.258 14.949 ( 0.000 0.980 10.211) 10.258 15.139 ( 0.000 0.236 -4.797) 4.803 15.139 ( 0.000 0.236 4.797) 4.803 15.598 ( 0.000 3.814 -2.190) 4.398 15.598 ( 0.000 3.814 2.190) 4.398 15.703 ( 0.000 0.973 -5.149) 5.240 15.703 ( 0.000 0.973 5.149) 5.240 15.822 ( 0.000 2.518 -5.492) 6.042 15.822 ( 0.000 2.518 5.492) 6.042 16.052 ( 0.000 3.156 -3.165) 4.470 16.052 ( 0.000 3.156 3.165) 4.470 16.192 ( 0.000 -2.088 -3.152) 3.781 16.192 ( 0.000 -2.088 3.152) 3.781 16.363 ( 0.000 3.464 -5.158) 6.213 16.363 ( 0.000 3.464 5.158) 6.213 16.515 ( 0.000 -13.907 -8.715) 16.412 16.515 ( 0.000 -13.907 8.715) 16.412 16.649 ( 0.000 2.533 -4.994) 5.599 16.649 ( 0.000 2.533 4.994) 5.599 17.729 ( 0.000 1.734 -3.849) 4.221 17.729 ( 0.000 1.734 3.849) 4.221 17.994 ( 0.000 -2.144 -6.234) 6.592 17.994 ( 0.000 -2.144 6.234) 6.592 18.255 ( 0.000 -2.947 -3.126) 4.296 18.255 ( 0.000 -2.947 3.126) 4.296 18.290 ( 0.000 0.228 -4.252) 4.258 18.290 ( 0.000 0.228 4.252) 4.258 18.715 ( 0.000 0.461 -4.323) 4.348 18.715 ( 0.000 0.461 4.323) 4.348 18.952 ( 0.000 -5.255 -2.228) 5.707 18.952 ( 0.000 -5.255 2.228) 5.707 18.991 ( 0.000 -6.730 -11.169) 13.039 18.991 ( 0.000 -6.730 11.169) 13.039 19.319 ( 0.000 -11.632 -8.336) 14.311 19.319 ( 0.000 -11.632 8.336) 14.311 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 9.197 13.289 -8.316) 18.175 1.507 ( 9.197 13.289 8.316) 18.175 1.567 ( 12.311 13.231 -8.816) 20.108 1.567 ( 12.311 13.231 8.816) 20.108 1.974 ( -13.243 7.597 -5.677) 16.289 1.974 ( -13.243 7.597 5.677) 16.289 2.077 ( -8.399 4.182 -12.768) 15.845 2.077 ( -8.399 4.182 12.768) 15.845 2.385 ( 6.053 -2.153 -5.085) 8.193 2.385 ( 6.053 -2.153 5.085) 8.193 2.485 ( 4.284 3.857 -10.338) 11.836 2.485 ( 4.284 3.857 10.338) 11.836 2.551 ( 8.530 0.760 -4.638) 9.739 2.551 ( 8.530 0.760 4.638) 9.739 2.656 ( 1.684 -1.898 -5.366) 5.936 2.656 ( 1.684 -1.898 5.366) 5.936 2.722 ( 2.207 -2.517 -4.707) 5.776 2.722 ( 2.207 -2.517 4.707) 5.776 2.770 ( -2.821 -2.548 -2.082) 4.334 2.770 ( -2.821 -2.548 2.082) 4.334 2.979 ( -1.261 -1.363 -2.439) 3.065 2.979 ( -1.261 -1.363 2.439) 3.065 3.038 ( -3.793 -4.854 -3.379) 7.026 3.038 ( -3.793 -4.854 3.379) 7.026 3.066 ( 2.563 -3.406 -1.096) 4.401 3.066 ( 2.563 -3.406 1.096) 4.401 3.178 ( -0.845 -2.605 -1.814) 3.284 3.178 ( -0.845 -2.605 1.814) 3.284 3.249 ( 1.761 -5.068 -1.821) 5.666 3.249 ( 1.761 -5.068 1.821) 5.666 3.424 ( -2.664 -2.358 -4.646) 5.852 3.424 ( -2.664 -2.358 4.646) 5.852 3.460 ( 3.790 -0.292 -3.630) 5.256 3.460 ( 3.790 -0.292 3.630) 5.256 3.582 ( 0.048 -2.752 -3.832) 4.718 3.582 ( 0.048 -2.752 3.832) 4.718 3.633 ( 0.559 -4.763 -1.218) 4.948 3.633 ( 0.559 -4.763 1.218) 4.948 3.683 ( -1.514 -4.057 -2.350) 4.926 3.683 ( -1.514 -4.057 2.350) 4.926 3.782 ( 2.022 1.984 -1.800) 3.357 3.782 ( 2.022 1.984 1.800) 3.357 3.876 ( -1.054 0.448 -3.884) 4.050 3.876 ( -1.054 0.448 3.884) 4.050 4.004 ( -5.378 4.352 -3.292) 7.661 4.004 ( -5.378 4.352 3.292) 7.661 4.071 ( -2.231 0.764 -1.159) 2.628 4.071 ( -2.231 0.764 1.159) 2.628 4.098 ( -2.039 1.957 -2.735) 3.933 4.098 ( -2.039 1.957 2.735) 3.933 4.173 ( -1.024 3.707 -8.458) 9.291 4.173 ( -1.024 3.707 8.458) 9.291 4.269 ( -3.617 4.636 -2.328) 6.324 4.269 ( -3.617 4.636 2.328) 6.324 4.489 ( -8.849 -3.246 -1.128) 9.493 4.489 ( -8.849 -3.246 1.128) 9.493 4.800 ( 8.309 2.361 -1.054) 8.702 4.800 ( 8.309 2.361 1.054) 8.702 4.979 ( 5.816 0.546 -4.139) 7.159 4.979 ( 5.816 0.546 4.139) 7.159 5.088 ( -1.691 -1.637 -3.030) 3.837 5.088 ( -1.691 -1.637 3.030) 3.837 5.159 ( -2.404 -2.660 -1.475) 3.877 5.159 ( -2.404 -2.660 1.475) 3.877 5.200 ( 4.332 -9.059 -1.772) 10.197 5.200 ( 4.332 -9.059 1.772) 10.197 5.336 ( 0.870 -4.389 -1.064) 4.599 5.336 ( 0.870 -4.389 1.064) 4.599 5.690 ( 3.200 1.364 -4.088) 5.368 5.690 ( 3.200 1.364 4.088) 5.368 5.850 ( -2.645 -3.460 -0.514) 4.386 5.850 ( -2.645 -3.460 0.514) 4.386 7.947 ( 2.108 12.541 -3.199) 13.113 7.947 ( 2.108 12.541 3.200) 13.113 8.105 ( -4.784 7.423 -3.875) 9.644 8.105 ( -4.784 7.423 3.875) 9.644 8.262 ( 1.891 9.267 -1.091) 9.520 8.262 ( 1.891 9.267 1.091) 9.520 8.294 ( 1.697 7.086 -3.654) 8.152 8.294 ( 1.697 7.086 3.654) 8.152 8.598 ( 0.585 2.685 -3.037) 4.095 8.598 ( 0.585 2.685 3.037) 4.095 8.662 ( -2.059 1.064 -3.721) 4.384 8.662 ( -2.059 1.064 3.721) 4.384 8.839 ( 1.946 -3.396 -1.958) 4.377 8.839 ( 1.946 -3.396 1.958) 4.377 8.935 ( -1.272 -1.282 -2.847) 3.371 8.935 ( -1.272 -1.282 2.847) 3.371 9.024 ( 1.425 -2.274 -3.661) 4.539 9.024 ( 1.425 -2.274 3.661) 4.539 9.085 ( -1.437 -4.064 -2.779) 5.128 9.085 ( -1.437 -4.064 2.779) 5.128 9.203 ( 4.904 -2.489 -1.300) 5.651 9.203 ( 4.904 -2.489 1.300) 5.651 9.469 ( -4.085 -4.568 -2.204) 6.512 9.469 ( -4.085 -4.568 2.204) 6.512 9.756 ( 2.002 -0.044 -3.676) 4.186 9.756 ( 2.002 -0.044 3.676) 4.186 9.895 ( -2.873 -0.917 -5.698) 6.447 9.895 ( -2.873 -0.917 5.698) 6.447 9.981 ( 0.599 0.720 -5.797) 5.872 9.981 ( 0.599 0.720 5.797) 5.872 10.049 ( -3.838 4.659 -1.553) 6.233 10.049 ( -3.838 4.659 1.553) 6.233 10.203 ( 3.446 0.201 -1.936) 3.958 10.203 ( 3.446 0.201 1.936) 3.958 10.430 ( -2.649 -2.159 -1.896) 3.908 10.430 ( -2.649 -2.159 1.896) 3.908 10.489 ( -3.258 1.420 -6.306) 7.239 10.489 ( -3.258 1.420 6.306) 7.239 10.542 ( -3.741 -1.512 -2.678) 4.843 10.542 ( -3.741 -1.512 2.678) 4.843 10.742 ( 1.376 4.085 -4.239) 6.045 10.742 ( 1.376 4.085 4.239) 6.045 10.843 ( -2.625 4.417 -3.020) 5.960 10.843 ( -2.625 4.417 3.020) 5.960 10.998 ( 4.450 -1.444 -1.824) 5.021 10.998 ( 4.450 -1.444 1.824) 5.021 11.206 ( -1.768 -6.681 -8.817) 11.203 11.206 ( -1.768 -6.681 8.817) 11.203 11.634 ( 1.756 -1.004 -3.916) 4.408 11.634 ( 1.756 -1.004 3.916) 4.408 11.807 ( -1.350 -1.967 -5.589) 6.077 11.807 ( -1.350 -1.967 5.589) 6.077 12.053 ( 6.756 -1.536 -2.564) 7.387 12.053 ( 6.756 -1.536 2.564) 7.387 12.274 ( 2.951 1.516 -4.618) 5.686 12.274 ( 2.951 1.516 4.618) 5.686 12.462 ( -0.533 -2.178 -13.415) 13.601 12.462 ( -0.533 -2.178 13.415) 13.601 12.580 ( -1.950 0.616 -6.132) 6.464 12.580 ( -1.950 0.616 6.132) 6.464 13.046 ( 4.657 4.372 -12.836) 14.338 13.046 ( 4.657 4.372 12.836) 14.338 13.298 ( 4.792 3.607 -6.317) 8.711 13.298 ( 4.792 3.607 6.317) 8.711 13.642 ( -1.284 -1.236 -5.367) 5.655 13.642 ( -1.284 -1.236 5.367) 5.655 13.778 ( -11.967 -2.935 -10.657) 16.291 13.778 ( -11.967 -2.935 10.657) 16.291 14.361 ( 3.562 -1.071 -5.423) 6.576 14.361 ( 3.562 -1.071 5.423) 6.576 14.454 ( 0.986 -2.552 -7.601) 8.078 14.454 ( 0.986 -2.552 7.601) 8.078 14.883 ( -4.278 1.194 -7.482) 8.701 14.883 ( -4.278 1.194 7.482) 8.701 15.019 ( -7.890 -0.535 -3.648) 8.709 15.019 ( -7.890 -0.535 3.648) 8.709 15.599 ( 0.302 3.612 -2.962) 4.681 15.599 ( 0.302 3.612 2.962) 4.681 15.671 ( -2.472 1.824 -4.343) 5.320 15.671 ( -2.472 1.824 4.343) 5.320 15.870 ( 3.343 3.077 -2.863) 5.370 15.870 ( 3.343 3.077 2.863) 5.370 15.988 ( -2.908 3.886 -3.001) 5.707 15.988 ( -2.908 3.886 3.001) 5.707 16.260 ( 4.123 -3.305 -2.356) 5.786 16.260 ( 4.123 -3.305 2.356) 5.786 16.403 ( -0.321 4.231 -3.221) 5.327 16.403 ( -0.321 4.231 3.221) 5.327 16.546 ( 4.095 -10.408 -1.610) 11.300 16.546 ( 4.095 -10.408 1.610) 11.300 16.650 ( -0.145 1.974 -5.583) 5.923 16.650 ( -0.145 1.974 5.583) 5.923 17.843 ( 8.883 -1.693 -3.832) 9.821 17.843 ( 8.883 -1.693 3.832) 9.821 18.025 ( 2.254 -3.481 -5.018) 6.510 18.025 ( 2.254 -3.481 5.018) 6.510 18.227 ( -2.173 -1.957 -4.224) 5.137 18.227 ( -2.173 -1.957 4.224) 5.137 18.274 ( -1.702 -0.282 -4.565) 4.880 18.274 ( -1.702 -0.282 4.565) 4.880 18.715 ( 0.986 -0.269 -4.102) 4.227 18.715 ( 0.986 -0.269 4.102) 4.227 18.898 ( -4.692 -4.754 -2.861) 7.267 18.898 ( -4.692 -4.754 2.861) 7.267 19.049 ( 4.745 -6.580 -10.569) 13.323 19.049 ( 4.745 -6.580 10.569) 13.323 19.274 ( -3.987 -10.253 -8.741) 14.050 19.274 ( -3.987 -10.253 8.741) 14.050 ======================= Grid point 114 (39/45) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -11.100 11.527 -9.088) 18.403 1.710 ( 11.070 11.527 -9.084) 18.383 1.710 ( -11.070 11.527 9.084) 18.383 1.710 ( 11.100 11.527 9.088) 18.403 1.862 ( -12.213 9.669 -13.969) 20.924 1.862 ( 12.188 9.669 -13.967) 20.907 1.862 ( -12.188 9.669 13.967) 20.907 1.862 ( 12.213 9.669 13.969) 20.924 2.509 ( -4.087 -2.274 -8.391) 9.607 2.509 ( 4.080 -2.274 -8.391) 9.604 2.509 ( -4.080 -2.274 8.391) 9.604 2.509 ( 4.087 -2.274 8.391) 9.607 2.649 ( -2.580 -4.135 -4.934) 6.935 2.649 ( 2.256 -4.135 -4.916) 6.809 2.649 ( -2.256 -4.135 4.916) 6.809 2.649 ( 2.580 -4.135 4.934) 6.935 2.789 ( -2.893 -2.001 -3.531) 4.983 2.789 ( 2.699 -2.001 -3.513) 4.861 2.789 ( -2.699 -2.001 3.513) 4.861 2.789 ( 2.893 -2.001 3.531) 4.983 2.916 ( -4.334 -1.344 -4.374) 6.303 2.916 ( 3.410 -1.344 -4.283) 5.637 2.916 ( -3.410 -1.344 4.283) 5.637 2.916 ( 4.334 -1.344 4.374) 6.303 3.148 ( -3.774 -1.058 -2.185) 4.487 3.148 ( 1.082 -1.058 -1.822) 2.369 3.148 ( -1.082 -1.058 1.822) 2.369 3.148 ( 3.774 -1.058 2.185) 4.487 3.333 ( -3.895 -4.014 -3.734) 6.725 3.333 ( 2.343 -4.014 -3.587) 5.871 3.333 ( -2.343 -4.014 3.587) 5.871 3.333 ( 3.895 -4.014 3.734) 6.725 3.538 ( -2.989 -1.822 -4.184) 5.455 3.538 ( 2.989 -1.822 -4.184) 5.455 3.538 ( -2.989 -1.822 4.184) 5.455 3.538 ( 2.989 -1.822 4.184) 5.455 3.658 ( -1.990 -3.942 -3.081) 5.385 3.658 ( 1.406 -3.942 -3.045) 5.176 3.658 ( -1.406 -3.942 3.045) 5.176 3.658 ( 1.990 -3.942 3.081) 5.385 3.863 ( -3.237 4.416 -6.151) 8.235 3.863 ( 2.270 4.416 -6.103) 7.867 3.863 ( -2.270 4.416 6.103) 7.867 3.863 ( 3.237 4.416 6.151) 8.235 3.944 ( -5.426 2.361 -3.046) 6.655 3.944 ( -2.270 2.361 -2.565) 4.160 3.944 ( 2.270 2.361 2.565) 4.160 3.944 ( 5.426 2.361 3.046) 6.655 4.103 ( -2.670 1.956 -4.682) 5.734 4.103 ( 2.349 1.956 -4.663) 5.576 4.103 ( -2.349 1.956 4.663) 5.576 4.103 ( 2.670 1.956 4.682) 5.734 4.339 ( -5.875 -0.270 -2.559) 6.414 4.339 ( 5.717 -0.270 -2.519) 6.253 4.339 ( -5.717 -0.270 2.519) 6.253 4.339 ( 5.875 -0.270 2.559) 6.414 4.964 ( -5.494 1.573 -2.670) 6.308 4.964 ( -0.003 1.573 -1.943) 2.500 4.964 ( 0.003 1.573 1.943) 2.500 4.964 ( 5.494 1.573 2.670) 6.308 5.098 ( -2.167 -1.623 -3.644) 4.540 5.098 ( 2.046 -1.623 -3.636) 4.477 5.098 ( -2.046 -1.623 3.636) 4.477 5.098 ( 2.167 -1.623 3.644) 4.540 5.305 ( -3.637 -7.688 -1.303) 8.604 5.305 ( 0.447 -7.688 -0.500) 7.717 5.305 ( -0.447 -7.688 0.500) 7.717 5.305 ( 3.637 -7.688 1.303) 8.604 5.776 ( -4.085 -1.466 -2.153) 4.845 5.776 ( 2.991 -1.466 -1.943) 3.856 5.776 ( -2.991 -1.466 1.943) 3.856 5.776 ( 4.085 -1.466 2.153) 4.845 8.012 ( -3.615 9.387 -4.012) 10.829 8.012 ( 3.051 9.387 -3.959) 10.635 8.012 ( -3.051 9.387 3.959) 10.635 8.012 ( 3.615 9.387 4.012) 10.829 8.298 ( -0.714 8.972 -3.735) 9.744 8.298 ( 0.559 8.972 -3.732) 9.733 8.298 ( -0.559 8.972 3.732) 9.733 8.298 ( 0.714 8.972 3.735) 9.744 8.620 ( -1.555 1.770 -4.127) 4.752 8.620 ( 1.552 1.770 -4.127) 4.751 8.620 ( -1.552 1.770 4.127) 4.751 8.620 ( 1.555 1.770 4.127) 4.752 8.890 ( -1.732 -1.724 -3.378) 4.169 8.890 ( 0.698 -1.724 -3.337) 3.820 8.890 ( -0.698 -1.724 3.337) 3.820 8.890 ( 1.732 -1.724 3.378) 4.169 9.056 ( -0.583 -3.252 -7.141) 7.868 9.056 ( 0.409 -3.252 -7.140) 7.856 9.056 ( -0.409 -3.252 7.140) 7.856 9.056 ( 0.583 -3.252 7.141) 7.868 9.339 ( -6.634 -4.632 -2.801) 8.562 9.339 ( -0.992 -4.632 -1.751) 5.050 9.339 ( 0.992 -4.632 1.751) 5.050 9.339 ( 6.634 -4.632 2.801) 8.562 9.823 ( -3.754 0.033 -3.349) 5.030 9.823 ( 3.651 0.033 -3.336) 4.946 9.823 ( -3.651 0.033 3.336) 4.946 9.823 ( 3.754 0.033 3.349) 5.030 9.993 ( -1.217 3.617 -3.213) 4.989 9.993 ( 1.217 3.617 -3.213) 4.988 9.993 ( -1.217 3.617 3.213) 4.988 9.993 ( 1.217 3.617 3.213) 4.989 10.305 ( -6.281 -0.159 -6.452) 9.006 10.305 ( 6.100 -0.159 -6.433) 8.867 10.305 ( -6.100 -0.159 6.433) 8.867 10.305 ( 6.281 -0.159 6.452) 9.006 10.488 ( -2.337 -0.304 -4.690) 5.249 10.488 ( 2.334 -0.304 -4.690) 5.248 10.488 ( -2.334 -0.304 4.690) 5.248 10.488 ( 2.337 -0.304 4.690) 5.249 10.776 ( -2.402 4.662 -3.896) 6.534 10.776 ( 2.000 4.662 -3.871) 6.382 10.776 ( -2.000 4.662 3.871) 6.382 10.776 ( 2.402 4.662 3.896) 6.534 11.123 ( -5.529 -5.041 -5.203) 9.113 11.123 ( 5.040 -5.041 -5.147) 8.792 11.123 ( -5.040 -5.041 5.147) 8.792 11.123 ( 5.529 -5.041 5.203) 9.113 11.721 ( -4.640 -2.020 -5.633) 7.572 11.721 ( 3.320 -2.020 -5.528) 6.758 11.721 ( -3.320 -2.020 5.528) 6.758 11.721 ( 4.640 -2.020 5.633) 7.572 12.219 ( -6.601 -0.255 -4.198) 7.827 12.219 ( 4.444 -0.255 -3.870) 5.899 12.219 ( -4.444 -0.255 3.870) 5.899 12.219 ( 6.601 -0.255 4.198) 7.827 12.515 ( -2.957 -0.882 -9.658) 10.139 12.515 ( 2.360 -0.882 -9.640) 9.964 12.515 ( -2.360 -0.882 9.640) 9.964 12.515 ( 2.957 -0.882 9.658) 10.139 13.239 ( -10.708 2.653 -8.451) 13.897 13.239 ( 9.597 2.653 -8.302) 12.963 13.239 ( -9.597 2.653 8.302) 12.963 13.239 ( 10.708 2.653 8.451) 13.897 13.625 ( -3.278 -1.246 -11.195) 11.732 13.625 ( 3.175 -1.246 -11.192) 11.700 13.625 ( -3.175 -1.246 11.192) 11.700 13.625 ( 3.278 -1.246 11.195) 11.732 14.427 ( -2.923 -1.098 -10.947) 11.383 14.427 ( 2.857 -1.098 -10.945) 11.365 14.427 ( -2.857 -1.098 10.945) 11.365 14.427 ( 2.923 -1.098 10.947) 11.383 14.881 ( -2.886 -0.474 -6.892) 7.487 14.881 ( 1.600 -0.474 -6.846) 7.046 14.881 ( -1.600 -0.474 6.846) 7.046 14.881 ( 2.886 -0.474 6.892) 7.487 15.621 ( -1.836 2.965 -3.933) 5.257 15.621 ( 1.834 2.965 -3.933) 5.256 15.621 ( -1.834 2.965 3.933) 5.256 15.621 ( 1.836 2.965 3.933) 5.257 15.936 ( -1.638 3.925 -4.423) 6.136 15.936 ( 0.878 3.925 -4.399) 5.960 15.936 ( -0.878 3.925 4.399) 5.960 15.936 ( 1.638 3.925 4.423) 6.136 16.347 ( -3.806 -1.681 -3.052) 5.160 16.347 ( 3.714 -1.681 -3.040) 5.085 16.347 ( -3.714 -1.681 3.040) 5.085 16.347 ( 3.806 -1.681 3.052) 5.160 16.627 ( -2.357 -0.926 -6.313) 6.802 16.627 ( 2.330 -0.926 -6.312) 6.792 16.627 ( -2.330 -0.926 6.312) 6.792 16.627 ( 2.357 -0.926 6.313) 6.802 18.011 ( -5.156 -4.988 -2.424) 7.572 18.011 ( 5.155 -4.988 -2.424) 7.572 18.011 ( -5.155 -4.988 2.424) 7.572 18.011 ( 5.156 -4.988 2.424) 7.572 18.221 ( -2.245 -0.462 -6.470) 6.864 18.221 ( 2.136 -0.462 -6.466) 6.825 18.221 ( -2.136 -0.462 6.466) 6.825 18.221 ( 2.245 -0.462 6.470) 6.864 18.783 ( -5.154 -2.479 -3.761) 6.845 18.783 ( 5.135 -2.479 -3.758) 6.829 18.783 ( -5.135 -2.479 3.758) 6.829 18.783 ( 5.154 -2.479 3.761) 6.845 19.166 ( -5.544 -7.868 -10.131) 13.975 19.166 ( 5.318 -7.868 -10.118) 13.877 19.166 ( -5.318 -7.868 10.118) 13.877 19.166 ( 5.544 -7.868 10.131) 13.975 ======================= Grid point 120 (40/45) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 13.484 -9.435) 16.457 1.634 ( 0.000 13.484 9.435) 16.457 1.777 ( 0.000 14.099 -12.885) 19.100 1.777 ( 0.000 14.099 12.885) 19.100 2.076 ( 0.000 -7.048 -4.926) 8.599 2.076 ( 0.000 -7.048 4.926) 8.599 2.224 ( 0.000 -5.704 -7.933) 9.770 2.224 ( 0.000 -5.704 7.933) 9.770 2.332 ( 0.000 6.099 -2.305) 6.520 2.332 ( 0.000 6.099 2.305) 6.520 2.477 ( 0.000 7.877 -4.097) 8.879 2.477 ( 0.000 7.877 4.097) 8.879 2.589 ( 0.000 0.354 -8.774) 8.781 2.589 ( 0.000 0.354 8.774) 8.781 2.624 ( 0.000 -2.513 -8.178) 8.556 2.624 ( 0.000 -2.513 8.178) 8.556 2.705 ( 0.000 6.571 -5.398) 8.503 2.705 ( 0.000 6.571 5.398) 8.503 2.766 ( 0.000 -8.893 -2.964) 9.374 2.766 ( 0.000 -8.893 2.964) 9.374 2.813 ( 0.000 -0.149 -8.529) 8.531 2.813 ( 0.000 -0.149 8.529) 8.531 3.040 ( 0.000 -4.749 -4.137) 6.299 3.040 ( 0.000 -4.749 4.137) 6.299 3.059 ( 0.000 0.785 -1.119) 1.367 3.059 ( 0.000 0.785 1.119) 1.367 3.064 ( 0.000 -1.693 -5.089) 5.363 3.064 ( 0.000 -1.693 5.089) 5.363 3.150 ( 0.000 -3.211 -7.079) 7.773 3.150 ( 0.000 -3.211 7.079) 7.773 3.284 ( 0.000 -8.065 -5.144) 9.566 3.284 ( 0.000 -8.065 5.144) 9.566 3.418 ( 0.000 -1.715 -4.042) 4.391 3.418 ( 0.000 -1.715 4.042) 4.391 3.464 ( 0.000 -5.308 -3.740) 6.493 3.464 ( 0.000 -5.308 3.740) 6.493 3.570 ( 0.000 -0.045 -6.552) 6.552 3.570 ( 0.000 -0.045 6.552) 6.552 3.667 ( 0.000 -4.417 -3.335) 5.535 3.667 ( 0.000 -4.417 3.335) 5.535 3.804 ( 0.000 2.216 -4.680) 5.178 3.804 ( 0.000 2.216 4.680) 5.178 3.865 ( 0.000 -1.588 -3.081) 3.466 3.865 ( 0.000 -1.588 3.081) 3.466 4.078 ( 0.000 3.729 -8.031) 8.854 4.078 ( 0.000 3.729 8.031) 8.854 4.125 ( 0.000 3.056 -2.277) 3.812 4.125 ( 0.000 3.056 2.277) 3.812 4.218 ( 0.000 6.672 -0.468) 6.689 4.218 ( 0.000 6.672 0.468) 6.689 4.310 ( 0.000 7.393 -1.689) 7.584 4.310 ( 0.000 7.393 1.689) 7.584 4.518 ( 0.000 2.342 -4.622) 5.181 4.518 ( 0.000 2.342 4.622) 5.181 4.598 ( 0.000 -3.244 -9.485) 10.024 4.598 ( 0.000 -3.244 9.485) 10.024 4.697 ( 0.000 0.837 -3.116) 3.227 4.697 ( 0.000 0.837 3.116) 3.227 4.795 ( 0.000 -2.439 -4.421) 5.049 4.795 ( 0.000 -2.439 4.421) 5.049 4.989 ( 0.000 -3.240 -2.020) 3.818 4.989 ( 0.000 -3.240 2.020) 3.818 5.005 ( 0.000 -8.288 -3.121) 8.856 5.005 ( 0.000 -8.288 3.121) 8.856 5.185 ( 0.000 -1.157 -3.063) 3.275 5.185 ( 0.000 -1.157 3.063) 3.275 5.207 ( 0.000 -4.422 -1.931) 4.825 5.207 ( 0.000 -4.422 1.931) 4.825 5.729 ( 0.000 3.363 -6.923) 7.697 5.729 ( 0.000 3.363 6.923) 7.697 5.822 ( 0.000 -1.697 -4.196) 4.526 5.822 ( 0.000 -1.697 4.196) 4.526 8.187 ( 0.000 9.820 -4.807) 10.934 8.187 ( 0.000 9.820 4.807) 10.934 8.312 ( 0.000 2.674 -4.671) 5.382 8.312 ( 0.000 2.674 4.671) 5.382 8.341 ( 0.000 5.907 -4.884) 7.664 8.341 ( 0.000 5.907 4.884) 7.664 8.416 ( 0.000 6.100 -4.422) 7.534 8.416 ( 0.000 6.100 4.422) 7.534 8.674 ( 0.000 3.473 -0.816) 3.567 8.674 ( 0.000 3.473 0.816) 3.567 8.696 ( 0.000 -1.188 -4.966) 5.106 8.696 ( 0.000 -1.188 4.966) 5.106 8.753 ( 0.000 0.409 -0.940) 1.025 8.753 ( 0.000 0.409 0.940) 1.025 8.876 ( 0.000 -2.544 -7.403) 7.828 8.876 ( 0.000 -2.544 7.403) 7.828 9.005 ( 0.000 -4.764 -5.888) 7.574 9.005 ( 0.000 -4.764 5.888) 7.574 9.049 ( 0.000 4.030 -7.261) 8.304 9.049 ( 0.000 4.030 7.261) 8.304 9.086 ( 0.000 -3.941 -4.154) 5.726 9.086 ( 0.000 -3.941 4.154) 5.726 9.378 ( 0.000 -8.422 -0.460) 8.434 9.378 ( 0.000 -8.422 0.460) 8.434 9.772 ( 0.000 3.412 -0.797) 3.504 9.772 ( 0.000 3.412 0.797) 3.504 9.910 ( 0.000 -2.497 -5.424) 5.971 9.910 ( 0.000 -2.497 5.424) 5.971 9.961 ( 0.000 2.117 -6.239) 6.589 9.961 ( 0.000 2.117 6.239) 6.589 10.130 ( 0.000 -2.486 -2.970) 3.873 10.130 ( 0.000 -2.486 2.970) 3.873 10.249 ( 0.000 6.374 -4.655) 7.893 10.249 ( 0.000 6.374 4.655) 7.893 10.368 ( 0.000 -1.876 -5.606) 5.912 10.368 ( 0.000 -1.876 5.606) 5.912 10.491 ( 0.000 -3.733 -3.477) 5.101 10.491 ( 0.000 -3.733 3.477) 5.101 10.528 ( 0.000 -5.985 -5.077) 7.848 10.528 ( 0.000 -5.985 5.077) 7.848 10.722 ( 0.000 2.418 -10.366) 10.644 10.722 ( 0.000 2.418 10.366) 10.644 10.901 ( 0.000 0.121 -12.487) 12.487 10.901 ( 0.000 0.121 12.487) 12.487 11.060 ( 0.000 -3.988 -7.380) 8.388 11.060 ( 0.000 -3.988 7.380) 8.388 11.114 ( 0.000 2.279 -5.361) 5.825 11.114 ( 0.000 2.279 5.361) 5.825 11.640 ( 0.000 1.441 -5.788) 5.964 11.640 ( 0.000 1.441 5.788) 5.964 11.744 ( 0.000 -2.077 -3.631) 4.183 11.744 ( 0.000 -2.077 3.631) 4.183 12.029 ( 0.000 2.762 -8.358) 8.803 12.029 ( 0.000 2.762 8.358) 8.803 12.165 ( 0.000 -2.582 -12.615) 12.876 12.165 ( 0.000 -2.582 12.615) 12.876 12.499 ( 0.000 1.563 -15.212) 15.292 12.499 ( 0.000 1.563 15.212) 15.292 12.594 ( 0.000 -1.619 -11.205) 11.321 12.594 ( 0.000 -1.619 11.205) 11.321 13.140 ( 0.000 6.661 -11.433) 13.232 13.140 ( 0.000 6.661 11.433) 13.232 13.294 ( 0.000 1.569 -9.719) 9.845 13.294 ( 0.000 1.569 9.719) 9.845 13.651 ( 0.000 1.291 -2.808) 3.090 13.651 ( 0.000 1.291 2.808) 3.090 13.829 ( 0.000 -6.209 -14.805) 16.054 13.829 ( 0.000 -6.209 14.805) 16.054 14.301 ( 0.000 1.097 -4.926) 5.047 14.301 ( 0.000 1.097 4.926) 5.047 14.381 ( 0.000 -2.575 -6.795) 7.266 14.381 ( 0.000 -2.575 6.795) 7.266 14.982 ( 0.000 2.232 -10.460) 10.695 14.982 ( 0.000 2.232 10.460) 10.695 15.112 ( 0.000 -2.724 -7.726) 8.192 15.112 ( 0.000 -2.724 7.726) 8.192 15.677 ( 0.000 3.386 -3.907) 5.170 15.677 ( 0.000 3.386 3.907) 5.170 15.723 ( 0.000 0.756 -5.417) 5.470 15.723 ( 0.000 0.756 5.417) 5.470 15.879 ( 0.000 3.189 -3.853) 5.002 15.879 ( 0.000 3.189 3.853) 5.002 16.101 ( 0.000 -6.297 -1.833) 6.559 16.101 ( 0.000 -6.297 1.833) 6.559 16.114 ( 0.000 2.640 -5.640) 6.227 16.114 ( 0.000 2.640 5.640) 6.227 16.238 ( 0.000 -6.489 -10.605) 12.432 16.238 ( 0.000 -6.489 10.605) 12.432 16.537 ( 0.000 6.546 -2.575) 7.034 16.537 ( 0.000 6.546 2.575) 7.034 16.682 ( 0.000 0.240 -4.280) 4.287 16.682 ( 0.000 0.240 4.280) 4.287 17.777 ( 0.000 2.891 -3.294) 4.383 17.777 ( 0.000 2.891 3.294) 4.383 17.931 ( 0.000 -3.773 -4.592) 5.943 17.931 ( 0.000 -3.773 4.592) 5.943 18.228 ( 0.000 0.377 -4.570) 4.585 18.228 ( 0.000 0.377 4.570) 4.585 18.289 ( 0.000 -0.617 -5.678) 5.712 18.289 ( 0.000 -0.617 5.678) 5.712 18.713 ( 0.000 -0.409 -3.315) 3.340 18.713 ( 0.000 -0.409 3.315) 3.340 18.846 ( 0.000 -6.663 -7.072) 9.716 18.846 ( 0.000 -6.663 7.072) 9.716 18.892 ( 0.000 0.327 -1.131) 1.178 18.892 ( 0.000 0.327 1.131) 1.178 19.107 ( 0.000 -8.708 -6.159) 10.666 19.107 ( 0.000 -8.708 6.159) 10.666 ======================= Grid point 122 (41/45) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 10.335 12.675 -7.878) 18.153 1.784 ( 10.335 12.675 7.878) 18.153 1.845 ( 7.483 12.759 -10.474) 18.124 1.845 ( 7.483 12.759 10.474) 18.124 2.098 ( -0.516 0.443 -8.571) 8.598 2.098 ( -0.516 0.443 8.571) 8.598 2.185 ( -7.397 7.759 -3.373) 11.239 2.185 ( -7.397 7.759 3.373) 11.239 2.295 ( 5.004 -4.941 -6.916) 9.863 2.295 ( 5.004 -4.941 6.916) 9.863 2.488 ( 0.337 -1.692 -4.656) 4.965 2.488 ( 0.337 -1.692 4.656) 4.965 2.539 ( -4.060 -1.722 -9.265) 10.261 2.539 ( -4.060 -1.722 9.265) 10.261 2.642 ( -3.704 -5.361 -4.311) 7.813 2.642 ( -3.704 -5.361 4.311) 7.813 2.695 ( 3.204 1.731 -0.957) 3.765 2.695 ( 3.204 1.731 0.957) 3.765 2.778 ( 1.404 2.753 -1.448) 3.413 2.778 ( 1.404 2.753 1.448) 3.413 2.890 ( 1.229 -3.635 -2.793) 4.746 2.890 ( 1.229 -3.635 2.793) 4.746 2.955 ( -3.011 -1.434 -1.507) 3.660 2.955 ( -3.011 -1.434 1.507) 3.660 3.043 ( 1.787 -1.091 -0.536) 2.161 3.043 ( 1.787 -1.091 0.536) 2.161 3.101 ( -0.175 -4.557 -2.766) 5.334 3.101 ( -0.175 -4.557 2.766) 5.334 3.170 ( 2.755 -1.347 -1.163) 3.279 3.170 ( 2.755 -1.347 1.163) 3.279 3.334 ( 0.859 -6.993 -6.559) 9.626 3.334 ( 0.859 -6.993 6.559) 9.626 3.437 ( 1.995 -1.186 -2.689) 3.552 3.437 ( 1.995 -1.186 2.689) 3.552 3.493 ( 2.410 -3.914 -3.211) 5.607 3.493 ( 2.410 -3.914 3.211) 5.607 3.556 ( -1.272 -2.541 -0.986) 3.008 3.556 ( -1.272 -2.541 0.986) 3.008 3.588 ( -3.830 -3.356 -1.421) 5.286 3.588 ( -3.830 -3.356 1.421) 5.286 3.856 ( 1.900 1.928 -1.678) 3.185 3.856 ( 1.900 1.928 1.678) 3.185 3.917 ( 4.654 1.513 -4.082) 6.372 3.917 ( 4.654 1.513 4.082) 6.372 4.038 ( -1.027 1.126 -4.110) 4.384 4.038 ( -1.027 1.126 4.110) 4.384 4.093 ( -3.211 5.967 -2.967) 7.397 4.093 ( -3.211 5.967 2.967) 7.397 4.215 ( -2.238 4.656 -2.552) 5.761 4.215 ( -2.238 4.656 2.552) 5.761 4.305 ( -1.519 8.004 -7.531) 11.094 4.305 ( -1.519 8.004 7.531) 11.094 4.377 ( -6.099 3.098 -1.324) 6.968 4.377 ( -6.099 3.098 1.324) 6.968 4.468 ( -7.970 2.053 -4.203) 9.241 4.468 ( -7.970 2.053 4.203) 9.241 4.789 ( 6.927 -2.582 -3.926) 8.370 4.789 ( 6.927 -2.582 3.926) 8.370 4.933 ( 2.284 -6.710 -4.610) 8.455 4.933 ( 2.284 -6.710 4.610) 8.455 4.955 ( 1.715 -9.244 -2.045) 9.622 4.955 ( 1.715 -9.244 2.045) 9.622 5.066 ( -2.784 -5.593 -2.146) 6.606 5.066 ( -2.784 -5.593 2.146) 6.606 5.093 ( 4.039 0.341 -4.834) 6.309 5.093 ( 4.039 0.341 4.834) 6.309 5.285 ( 1.048 -0.791 -3.491) 3.730 5.285 ( 1.048 -0.791 3.491) 3.730 5.732 ( 0.676 2.254 -6.650) 7.054 5.732 ( 0.676 2.254 6.650) 7.054 5.805 ( -1.550 -1.311 -4.938) 5.339 5.805 ( -1.550 -1.311 4.938) 5.339 8.180 ( -0.254 8.795 -5.002) 10.121 8.180 ( -0.254 8.795 5.002) 10.121 8.244 ( -3.330 5.329 -5.626) 8.434 8.244 ( -3.330 5.329 5.626) 8.434 8.402 ( 3.085 4.488 -2.176) 5.865 8.402 ( 3.085 4.488 2.176) 5.865 8.451 ( 2.090 6.585 -3.469) 7.731 8.451 ( 2.090 6.585 3.469) 7.731 8.650 ( -0.931 2.172 -1.368) 2.731 8.650 ( -0.931 2.172 1.368) 2.731 8.703 ( -0.913 2.431 -3.470) 4.334 8.703 ( -0.913 2.431 3.470) 4.334 8.778 ( 2.880 -1.727 -0.485) 3.393 8.778 ( 2.880 -1.727 0.485) 3.393 8.877 ( -0.315 -3.493 -6.971) 7.804 8.877 ( -0.315 -3.493 6.971) 7.804 8.980 ( -0.984 -4.385 -6.154) 7.620 8.980 ( -0.984 -4.385 6.154) 7.620 9.034 ( -1.289 2.326 -5.135) 5.782 9.034 ( -1.289 2.326 5.135) 5.782 9.128 ( 2.989 -4.307 -3.322) 6.207 9.128 ( 2.989 -4.307 3.322) 6.207 9.327 ( -4.622 -8.556 -0.721) 9.751 9.327 ( -4.622 -8.556 0.721) 9.751 9.791 ( 1.854 2.980 -2.128) 4.104 9.791 ( 1.854 2.980 2.128) 4.104 9.884 ( -1.833 -0.375 -5.191) 5.518 9.884 ( -1.833 -0.375 5.191) 5.518 9.994 ( 2.319 1.002 -5.661) 6.199 9.994 ( 2.319 1.002 5.661) 6.199 10.101 ( -2.375 -0.699 -0.945) 2.650 10.101 ( -2.375 -0.699 0.945) 2.650 10.240 ( 0.689 3.315 -5.159) 6.171 10.240 ( 0.689 3.315 5.159) 6.171 10.390 ( 1.403 -0.059 -4.063) 4.299 10.390 ( 1.403 -0.059 4.063) 4.299 10.465 ( -1.509 -2.596 -0.548) 3.052 10.465 ( -1.509 -2.596 0.548) 3.052 10.551 ( -3.394 1.255 -9.516) 10.181 10.551 ( -3.394 1.255 9.516) 10.181 10.706 ( 3.686 -4.246 -4.358) 7.114 10.706 ( 3.686 -4.246 4.358) 7.114 10.891 ( -2.775 -1.410 -3.035) 4.347 10.891 ( -2.775 -1.410 3.035) 4.347 11.034 ( 0.297 2.308 -3.835) 4.486 11.034 ( 0.297 2.308 3.835) 4.486 11.131 ( 0.025 -0.107 -11.793) 11.793 11.131 ( 0.025 -0.107 11.793) 11.793 11.629 ( 0.565 0.756 -5.184) 5.269 11.629 ( 0.565 0.756 5.184) 5.269 11.766 ( -1.265 -1.934 -6.122) 6.544 11.766 ( -1.265 -1.934 6.122) 6.544 12.032 ( 4.438 -0.345 -6.457) 7.842 12.032 ( 4.438 -0.345 6.457) 7.842 12.289 ( 5.994 -0.203 -6.600) 8.918 12.289 ( 5.994 -0.203 6.600) 8.918 12.428 ( -3.926 -0.749 -12.539) 13.161 12.428 ( -3.926 -0.749 12.539) 13.161 12.586 ( -1.503 -0.102 -11.061) 11.163 12.586 ( -1.503 -0.102 11.061) 11.163 13.158 ( 2.956 6.066 -9.777) 11.880 13.158 ( 2.956 6.066 9.777) 11.880 13.344 ( 3.026 -0.021 -7.570) 8.153 13.344 ( 3.026 -0.021 7.570) 8.153 13.620 ( -3.727 -0.246 -2.804) 4.671 13.620 ( -3.727 -0.246 2.804) 4.671 13.721 ( -7.117 -2.600 -8.518) 11.400 13.721 ( -7.117 -2.600 8.518) 11.400 14.349 ( 3.132 0.021 -4.878) 5.797 14.349 ( 3.132 0.021 4.878) 5.797 14.402 ( 1.582 -2.304 -6.157) 6.762 14.402 ( 1.582 -2.304 6.157) 6.762 14.912 ( -4.956 1.576 -6.833) 8.587 14.912 ( -4.956 1.576 6.833) 8.587 14.994 ( -7.930 -1.810 -4.737) 9.412 14.994 ( -7.930 -1.810 4.737) 9.412 15.671 ( -0.270 2.928 -4.617) 5.474 15.671 ( -0.270 2.928 4.617) 5.474 15.705 ( -1.482 1.169 -5.452) 5.770 15.705 ( -1.482 1.169 5.452) 5.770 15.938 ( 4.032 3.349 -0.780) 5.299 15.938 ( 4.032 3.349 0.780) 5.299 16.048 ( -1.658 1.072 -4.666) 5.067 16.048 ( -1.658 1.072 4.666) 5.067 16.188 ( 4.300 -2.597 -3.176) 5.943 16.188 ( 4.300 -2.597 3.176) 5.943 16.309 ( 2.406 -6.792 -6.725) 9.856 16.309 ( 2.406 -6.792 6.725) 9.856 16.561 ( 3.172 5.452 -4.323) 7.647 16.561 ( 3.172 5.452 4.323) 7.647 16.682 ( -0.349 0.645 -4.372) 4.433 16.682 ( -0.349 0.645 4.372) 4.433 17.832 ( 4.528 0.608 -3.099) 5.521 17.832 ( 4.528 0.608 3.099) 5.521 17.943 ( 0.648 -4.062 -3.521) 5.414 17.943 ( 0.648 -4.062 3.521) 5.414 18.210 ( -1.184 0.294 -5.022) 5.168 18.210 ( -1.184 0.294 5.022) 5.168 18.263 ( -2.291 -0.908 -5.702) 6.212 18.263 ( -2.291 -0.908 5.702) 6.212 18.713 ( 0.502 0.154 -2.513) 2.567 18.713 ( 0.502 0.154 2.513) 2.567 18.814 ( -2.811 -3.401 -1.465) 4.649 18.814 ( -2.811 -3.401 1.465) 4.649 18.935 ( 3.554 -3.141 -5.977) 7.631 18.935 ( 3.554 -3.141 5.977) 7.631 19.084 ( -2.172 -7.794 -6.494) 10.375 19.084 ( -2.172 -7.794 6.494) 10.375 ======================= Grid point 124 (42/45) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -8.102 11.561 -6.855) 15.694 1.962 ( 8.102 11.561 -6.855) 15.694 1.962 ( -8.102 11.561 6.855) 15.694 1.962 ( 8.102 11.561 6.855) 15.694 2.062 ( -7.346 9.249 -8.322) 14.448 2.062 ( 7.331 9.249 -8.320) 14.440 2.062 ( -7.331 9.249 8.320) 14.440 2.062 ( 7.346 9.249 8.322) 14.448 2.434 ( -5.153 -4.909 -9.413) 11.801 2.434 ( 4.782 -4.909 -9.392) 11.626 2.434 ( -4.782 -4.909 9.392) 11.626 2.434 ( 5.153 -4.909 9.413) 11.801 2.539 ( -4.501 -6.558 -4.205) 8.997 2.539 ( 4.309 -6.558 -4.183) 8.892 2.539 ( -4.309 -6.558 4.183) 8.892 2.539 ( 4.501 -6.558 4.205) 8.997 2.746 ( -2.104 -0.296 -2.568) 3.333 2.746 ( 1.714 -0.296 -2.536) 3.075 2.746 ( -1.714 -0.296 2.536) 3.075 2.746 ( 2.104 -0.296 2.568) 3.333 2.921 ( -3.400 -0.293 -1.375) 3.679 2.921 ( 0.725 -0.293 -0.814) 1.129 2.921 ( -0.725 -0.293 0.814) 1.129 2.921 ( 3.400 -0.293 1.375) 3.679 3.085 ( -0.894 -3.720 -2.477) 4.558 3.085 ( 0.891 -3.720 -2.477) 4.557 3.085 ( -0.891 -3.720 2.477) 4.557 3.085 ( 0.894 -3.720 2.477) 4.558 3.272 ( -5.249 -1.941 -5.016) 7.516 3.272 ( 4.129 -1.941 -4.899) 6.695 3.272 ( -4.129 -1.941 4.899) 6.695 3.272 ( 5.249 -1.941 5.016) 7.516 3.478 ( -1.820 -2.295 -1.334) 3.219 3.478 ( 1.022 -2.295 -1.236) 2.800 3.478 ( -1.022 -2.295 1.236) 2.800 3.478 ( 1.820 -2.295 1.334) 3.219 3.563 ( -1.484 -4.050 -1.433) 4.545 3.563 ( 1.063 -4.050 -1.391) 4.412 3.563 ( -1.063 -4.050 1.391) 4.412 3.563 ( 1.484 -4.050 1.433) 4.545 3.913 ( -3.901 0.530 -1.617) 4.256 3.913 ( 3.662 0.530 -1.554) 4.013 3.913 ( -3.662 0.530 1.554) 4.013 3.913 ( 3.901 0.530 1.617) 4.256 4.095 ( -4.891 7.213 -5.173) 10.134 4.095 ( 4.539 7.213 -5.137) 9.950 4.095 ( -4.539 7.213 5.137) 9.950 4.095 ( 4.891 7.213 5.173) 10.134 4.152 ( -6.215 4.634 -5.747) 9.650 4.152 ( 5.659 4.634 -5.683) 9.263 4.152 ( -5.659 4.634 5.683) 9.263 4.152 ( 6.215 4.634 5.747) 9.650 4.379 ( -2.396 3.296 -3.197) 5.180 4.379 ( 2.370 3.296 -3.195) 5.166 4.379 ( -2.370 3.296 3.195) 5.166 4.379 ( 2.396 3.296 3.197) 5.180 4.898 ( -2.515 -5.893 -2.071) 6.733 4.898 ( 0.285 -5.893 -1.896) 6.197 4.898 ( -0.285 -5.893 1.896) 6.197 4.898 ( 2.515 -5.893 2.071) 6.733 5.007 ( -1.657 -7.728 -2.207) 8.206 5.007 ( 1.210 -7.728 -2.175) 8.119 5.007 ( -1.210 -7.728 2.175) 8.119 5.007 ( 1.657 -7.728 2.207) 8.206 5.229 ( -5.762 0.664 -4.932) 7.614 5.229 ( 5.758 0.664 -4.931) 7.610 5.229 ( -5.758 0.664 4.931) 7.610 5.229 ( 5.762 0.664 4.932) 7.614 5.764 ( -2.054 0.044 -6.059) 6.398 5.764 ( 2.052 0.044 -6.059) 6.397 5.764 ( -2.052 0.044 6.059) 6.397 5.764 ( 2.054 0.044 6.059) 6.398 8.191 ( -1.378 6.998 -6.068) 9.364 8.191 ( 1.338 6.998 -6.067) 9.358 8.191 ( -1.338 6.998 6.067) 9.358 8.191 ( 1.378 6.998 6.068) 9.364 8.457 ( -0.885 5.919 -2.947) 6.671 8.457 ( 0.384 5.919 -2.935) 6.618 8.457 ( -0.384 5.919 2.935) 6.618 8.457 ( 0.885 5.919 2.947) 6.671 8.664 ( -1.099 2.510 -2.879) 3.974 8.664 ( 0.287 2.510 -2.857) 3.813 8.664 ( -0.287 2.510 2.857) 3.813 8.664 ( 1.099 2.510 2.879) 3.974 8.846 ( -2.724 -2.777 -2.934) 4.873 8.846 ( 2.715 -2.777 -2.933) 4.867 8.846 ( -2.715 -2.777 2.933) 4.867 8.846 ( 2.724 -2.777 2.934) 4.873 8.995 ( -2.038 -1.860 -4.850) 5.580 8.995 ( 2.037 -1.860 -4.850) 5.580 8.995 ( -2.037 -1.860 4.850) 5.580 8.995 ( 2.038 -1.860 4.850) 5.580 9.212 ( -4.001 -6.767 -3.035) 8.427 9.212 ( -0.127 -6.767 -2.726) 7.296 9.212 ( 0.127 -6.767 2.726) 7.296 9.212 ( 4.001 -6.767 3.035) 8.427 9.840 ( -2.328 1.424 -3.968) 4.816 9.840 ( 2.325 1.424 -3.968) 4.814 9.840 ( -2.325 1.424 3.968) 4.814 9.840 ( 2.328 1.424 3.968) 4.816 10.047 ( -2.576 1.075 -3.358) 4.367 10.047 ( 2.563 1.075 -3.357) 4.358 10.047 ( -2.563 1.075 3.357) 4.358 10.047 ( 2.576 1.075 3.358) 4.367 10.313 ( -5.940 0.583 -7.134) 9.301 10.313 ( 5.783 0.583 -7.119) 9.191 10.313 ( -5.783 0.583 7.119) 9.191 10.313 ( 5.940 0.583 7.134) 9.301 10.488 ( -2.870 1.347 -4.072) 5.161 10.488 ( 2.830 1.347 -4.069) 5.137 10.488 ( -2.830 1.347 4.069) 5.137 10.488 ( 2.870 1.347 4.072) 5.161 10.804 ( -4.494 -3.067 -1.678) 5.694 10.804 ( 3.555 -3.067 -1.406) 4.901 10.804 ( -3.555 -3.067 1.406) 4.901 10.804 ( 4.494 -3.067 1.678) 5.694 11.088 ( -3.569 1.936 -10.559) 11.313 11.088 ( 3.565 1.936 -10.559) 11.311 11.088 ( -3.565 1.936 10.559) 11.311 11.088 ( 3.569 1.936 10.559) 11.313 11.687 ( -4.238 -1.089 -3.304) 5.483 11.687 ( 3.319 -1.089 -3.186) 4.728 11.687 ( -3.319 -1.089 3.186) 4.728 11.687 ( 4.238 -1.089 3.304) 5.483 12.199 ( -8.805 -1.335 -7.323) 11.530 12.199 ( 7.479 -1.335 -7.157) 10.437 12.199 ( -7.479 -1.335 7.157) 10.437 12.199 ( 8.805 -1.335 7.323) 11.530 12.508 ( -5.793 0.061 -9.497) 11.124 12.508 ( 5.638 0.061 -9.486) 11.036 12.508 ( -5.638 0.061 9.487) 11.036 12.508 ( 5.793 0.061 9.497) 11.124 13.290 ( -7.365 1.996 -7.132) 10.445 13.290 ( 5.437 1.996 -6.937) 9.037 13.290 ( -5.437 1.996 6.937) 9.037 13.290 ( 7.365 1.996 7.132) 10.445 13.601 ( -3.992 -0.983 -12.066) 12.747 13.601 ( 3.892 -0.983 -12.062) 12.713 13.601 ( -3.892 -0.983 12.062) 12.713 13.601 ( 3.992 -0.983 12.066) 12.747 14.405 ( -1.634 -0.852 -11.892) 12.034 14.405 ( 1.610 -0.852 -11.892) 12.030 14.405 ( -1.610 -0.852 11.892) 12.030 14.405 ( 1.634 -0.852 11.892) 12.034 14.871 ( -0.851 -0.392 -8.967) 9.016 14.871 ( 0.445 -0.392 -8.963) 8.983 14.871 ( -0.445 -0.392 8.963) 8.983 14.871 ( 0.851 -0.392 8.967) 9.016 15.676 ( -0.895 2.087 -5.418) 5.875 15.676 ( 0.895 2.087 -5.418) 5.875 15.676 ( -0.895 2.087 5.418) 5.875 15.676 ( 0.895 2.087 5.418) 5.875 16.010 ( -1.877 2.875 -4.453) 5.623 16.010 ( 1.372 2.875 -4.433) 5.459 16.010 ( -1.372 2.875 4.433) 5.459 16.010 ( 1.877 2.875 4.453) 5.623 16.282 ( -3.817 -3.376 -3.929) 6.434 16.282 ( 3.789 -3.376 -3.926) 6.416 16.282 ( -3.789 -3.376 3.926) 6.416 16.282 ( 3.817 -3.376 3.929) 6.434 16.647 ( -3.273 1.796 -4.836) 6.109 16.647 ( 3.249 1.796 -4.834) 6.095 16.647 ( -3.249 1.796 4.834) 6.095 16.647 ( 3.273 1.796 4.836) 6.109 17.924 ( -2.997 -3.067 -1.894) 4.688 17.924 ( 2.812 -3.067 -1.862) 4.559 17.924 ( -2.812 -3.067 1.862) 4.559 17.924 ( 2.997 -3.067 1.894) 4.688 18.211 ( -1.558 -0.425 -7.015) 7.198 18.211 ( 1.482 -0.425 -7.013) 7.181 18.211 ( -1.482 -0.425 7.013) 7.181 18.211 ( 1.558 -0.425 7.015) 7.198 18.749 ( -2.760 -0.696 -1.326) 3.141 18.749 ( 2.123 -0.696 -1.189) 2.531 18.749 ( -2.123 -0.696 1.189) 2.531 18.749 ( 2.760 -0.696 1.326) 3.141 19.018 ( -3.680 -5.785 -7.297) 10.013 19.018 ( 3.537 -5.785 -7.289) 9.956 19.018 ( -3.537 -5.785 7.289) 9.956 19.018 ( 3.680 -5.785 7.297) 10.013 ======================= Grid point 130 (43/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 -10.009 -6.307) 11.830 1.885 ( 0.000 -10.009 6.307) 11.830 1.885 ( 0.000 10.009 -6.307) 11.830 1.885 ( 0.000 10.009 6.307) 11.830 2.049 ( 0.000 -10.319 -11.054) 15.122 2.049 ( 0.000 10.319 -11.054) 15.122 2.049 ( 0.000 -10.319 11.054) 15.122 2.049 ( 0.000 10.319 11.054) 15.122 2.487 ( 0.000 -8.279 -0.943) 8.333 2.487 ( 0.000 -8.279 0.943) 8.333 2.487 ( 0.000 8.279 -0.943) 8.333 2.487 ( 0.000 8.279 0.943) 8.333 2.587 ( 0.000 -0.087 -5.308) 5.308 2.587 ( 0.000 0.087 -5.308) 5.308 2.587 ( 0.000 -0.087 5.308) 5.308 2.587 ( 0.000 0.087 5.308) 5.308 2.726 ( 0.000 -2.370 -4.967) 5.504 2.726 ( 0.000 2.370 -4.967) 5.504 2.726 ( 0.000 -2.370 4.967) 5.504 2.726 ( 0.000 2.370 4.967) 5.504 2.894 ( 0.000 -5.365 -4.701) 7.133 2.894 ( 0.000 5.365 -4.701) 7.133 2.894 ( 0.000 -5.365 4.701) 7.133 2.894 ( 0.000 5.365 4.701) 7.133 3.083 ( 0.000 -1.758 -1.475) 2.295 3.083 ( 0.000 1.758 -1.475) 2.295 3.083 ( 0.000 -1.758 1.475) 2.295 3.083 ( 0.000 1.758 1.475) 2.295 3.131 ( 0.000 -4.282 -7.219) 8.394 3.131 ( 0.000 4.282 -7.219) 8.394 3.131 ( 0.000 -4.282 7.219) 8.394 3.131 ( 0.000 4.282 7.219) 8.394 3.402 ( 0.000 -0.436 -6.103) 6.118 3.402 ( 0.000 0.436 -6.103) 6.118 3.402 ( 0.000 -0.436 6.103) 6.118 3.402 ( 0.000 0.436 6.103) 6.118 3.593 ( 0.000 -2.200 -4.517) 5.024 3.593 ( 0.000 2.200 -4.517) 5.024 3.593 ( 0.000 -2.200 4.517) 5.024 3.593 ( 0.000 2.200 4.517) 5.024 3.833 ( 0.000 -0.983 -2.146) 2.360 3.833 ( 0.000 0.983 -2.146) 2.360 3.833 ( 0.000 -0.983 2.146) 2.360 3.833 ( 0.000 0.983 2.146) 2.360 4.155 ( 0.000 -0.418 -2.595) 2.629 4.155 ( 0.000 0.418 -2.595) 2.629 4.155 ( 0.000 -0.418 2.595) 2.629 4.155 ( 0.000 0.418 2.595) 2.629 4.362 ( 0.000 -4.037 -2.658) 4.834 4.362 ( 0.000 -4.037 2.658) 4.834 4.362 ( 0.000 4.037 -2.658) 4.834 4.362 ( 0.000 4.037 2.658) 4.834 4.557 ( 0.000 -0.748 -8.509) 8.542 4.557 ( 0.000 0.748 -8.509) 8.542 4.557 ( 0.000 -0.748 8.509) 8.542 4.557 ( 0.000 0.748 8.509) 8.542 4.691 ( 0.000 -1.285 -7.409) 7.519 4.691 ( 0.000 1.285 -7.409) 7.519 4.691 ( 0.000 -1.285 7.409) 7.519 4.691 ( 0.000 1.285 7.409) 7.519 4.954 ( 0.000 -1.202 -2.960) 3.195 4.954 ( 0.000 1.202 -2.960) 3.195 4.954 ( 0.000 -1.202 2.960) 3.195 4.954 ( 0.000 1.202 2.960) 3.195 5.158 ( 0.000 -0.058 -3.495) 3.495 5.158 ( 0.000 0.058 -3.495) 3.495 5.158 ( 0.000 -0.058 3.495) 3.495 5.158 ( 0.000 0.058 3.495) 3.495 5.787 ( 0.000 -2.095 -6.387) 6.722 5.787 ( 0.000 2.095 -6.387) 6.722 5.787 ( 0.000 -2.095 6.387) 6.722 5.787 ( 0.000 2.095 6.387) 6.722 8.315 ( 0.000 -2.528 -5.920) 6.437 8.315 ( 0.000 2.528 -5.920) 6.437 8.315 ( 0.000 -2.528 5.920) 6.437 8.315 ( 0.000 2.528 5.920) 6.437 8.446 ( 0.000 -2.986 -5.083) 5.895 8.446 ( 0.000 2.986 -5.083) 5.895 8.446 ( 0.000 -2.986 5.083) 5.895 8.446 ( 0.000 2.986 5.083) 5.895 8.686 ( 0.000 -1.013 -2.763) 2.943 8.686 ( 0.000 1.013 -2.763) 2.943 8.686 ( 0.000 -1.013 2.763) 2.943 8.686 ( 0.000 1.013 2.763) 2.943 8.819 ( 0.000 -4.299 -2.030) 4.754 8.819 ( 0.000 -4.299 2.030) 4.754 8.819 ( 0.000 4.299 -2.030) 4.754 8.819 ( 0.000 4.299 2.030) 4.754 8.993 ( 0.000 -3.631 -6.845) 7.748 8.993 ( 0.000 3.631 -6.845) 7.748 8.993 ( 0.000 -3.631 6.845) 7.748 8.993 ( 0.000 3.631 6.845) 7.748 9.187 ( 0.000 -8.858 -3.024) 9.360 9.187 ( 0.000 -8.858 3.024) 9.360 9.187 ( 0.000 8.858 -3.024) 9.360 9.187 ( 0.000 8.858 3.024) 9.360 9.849 ( 0.000 -3.439 -4.225) 5.447 9.849 ( 0.000 3.439 -4.225) 5.447 9.849 ( 0.000 -3.439 4.225) 5.447 9.849 ( 0.000 3.439 4.225) 5.447 10.039 ( 0.000 -5.006 -3.386) 6.044 10.039 ( 0.000 5.006 -3.386) 6.044 10.039 ( 0.000 -5.006 3.386) 6.044 10.039 ( 0.000 5.006 3.386) 6.044 10.376 ( 0.000 -2.473 -1.607) 2.950 10.376 ( 0.000 -2.473 1.607) 2.950 10.376 ( 0.000 2.473 -1.607) 2.950 10.376 ( 0.000 2.473 1.607) 2.950 10.414 ( 0.000 -0.020 -7.357) 7.357 10.414 ( 0.000 0.020 -7.357) 7.357 10.414 ( 0.000 -0.020 7.357) 7.357 10.414 ( 0.000 0.020 7.357) 7.357 10.814 ( 0.000 -5.186 -13.202) 14.184 10.814 ( 0.000 5.186 -13.202) 14.184 10.814 ( 0.000 -5.186 13.202) 14.184 10.814 ( 0.000 5.186 13.202) 14.184 11.085 ( 0.000 -3.405 -5.470) 6.444 11.085 ( 0.000 3.405 -5.470) 6.444 11.085 ( 0.000 -3.405 5.470) 6.444 11.085 ( 0.000 3.405 5.470) 6.444 11.690 ( 0.000 -2.492 -3.286) 4.124 11.690 ( 0.000 2.492 -3.286) 4.124 11.690 ( 0.000 -2.492 3.286) 4.124 11.690 ( 0.000 2.492 3.286) 4.124 12.099 ( 0.000 -2.514 -13.387) 13.621 12.099 ( 0.000 2.514 -13.387) 13.621 12.099 ( 0.000 -2.514 13.387) 13.621 12.099 ( 0.000 2.514 13.387) 13.621 12.545 ( 0.000 -2.075 -13.446) 13.605 12.545 ( 0.000 2.075 -13.446) 13.605 12.545 ( 0.000 -2.075 13.446) 13.605 12.545 ( 0.000 2.075 13.446) 13.605 13.263 ( 0.000 -4.337 -11.091) 11.909 13.263 ( 0.000 4.337 -11.091) 11.909 13.263 ( 0.000 -4.337 11.091) 11.909 13.263 ( 0.000 4.337 11.091) 11.909 13.713 ( 0.000 -4.565 -9.218) 10.287 13.713 ( 0.000 4.565 -9.218) 10.287 13.713 ( 0.000 -4.565 9.218) 10.287 13.713 ( 0.000 4.565 9.218) 10.287 14.333 ( 0.000 -1.945 -5.264) 5.612 14.333 ( 0.000 1.945 -5.264) 5.612 14.333 ( 0.000 -1.945 5.264) 5.612 14.333 ( 0.000 1.945 5.264) 5.612 15.042 ( 0.000 -3.461 -9.738) 10.335 15.042 ( 0.000 3.461 -9.738) 10.335 15.042 ( 0.000 -3.461 9.738) 10.335 15.042 ( 0.000 3.461 9.738) 10.335 15.724 ( 0.000 -0.955 -5.199) 5.286 15.724 ( 0.000 0.955 -5.199) 5.286 15.724 ( 0.000 -0.955 5.199) 5.286 15.724 ( 0.000 0.955 5.199) 5.286 15.968 ( 0.000 -5.493 -2.385) 5.988 15.968 ( 0.000 -5.493 2.385) 5.988 15.968 ( 0.000 5.493 -2.385) 5.988 15.968 ( 0.000 5.493 2.385) 5.988 16.162 ( 0.000 -1.986 -8.725) 8.948 16.162 ( 0.000 1.986 -8.725) 8.948 16.162 ( 0.000 -1.986 8.725) 8.948 16.162 ( 0.000 1.986 8.725) 8.948 16.648 ( 0.000 -3.537 -3.794) 5.187 16.648 ( 0.000 3.537 -3.794) 5.187 16.648 ( 0.000 -3.537 3.794) 5.187 16.648 ( 0.000 3.537 3.794) 5.187 17.849 ( 0.000 -3.880 -3.105) 4.970 17.849 ( 0.000 3.880 -3.105) 4.970 17.849 ( 0.000 -3.880 3.105) 4.970 17.849 ( 0.000 3.880 3.105) 4.970 18.259 ( 0.000 -2.015 -5.616) 5.967 18.259 ( 0.000 2.015 -5.616) 5.967 18.259 ( 0.000 -2.015 5.616) 5.967 18.259 ( 0.000 2.015 5.616) 5.967 18.737 ( 0.000 -3.285 -2.386) 4.060 18.737 ( 0.000 3.285 -2.386) 4.060 18.737 ( 0.000 -3.285 2.386) 4.060 18.737 ( 0.000 3.285 2.386) 4.060 18.958 ( 0.000 -5.419 -3.556) 6.482 18.958 ( 0.000 -5.419 3.556) 6.482 18.958 ( 0.000 5.419 -3.556) 6.482 18.958 ( 0.000 5.419 3.556) 6.482 ======================= Grid point 134 (44/45) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 8.499 0.000 -9.644) 12.855 1.992 ( 8.499 0.000 9.644) 12.855 2.021 ( 9.718 -0.000 -5.796) 11.315 2.021 ( 9.718 0.000 5.796) 11.315 2.074 ( 3.559 0.000 -10.940) 11.504 2.074 ( 3.559 -0.000 10.940) 11.504 2.112 ( 5.235 0.000 -10.414) 11.655 2.112 ( 5.235 0.000 10.414) 11.655 2.408 ( -6.944 0.000 -4.656) 8.361 2.408 ( -6.944 0.000 4.656) 8.361 2.436 ( -3.631 -0.000 -2.850) 4.616 2.436 ( -3.631 0.000 2.850) 4.616 2.500 ( -2.569 0.000 -5.257) 5.851 2.500 ( -2.569 0.000 5.257) 5.851 2.527 ( -7.462 -0.000 -11.436) 13.656 2.527 ( -7.462 -0.000 11.436) 13.656 2.725 ( 1.931 0.000 -2.221) 2.943 2.725 ( 1.931 0.000 2.221) 2.943 2.810 ( 1.848 0.000 -1.023) 2.112 2.810 ( 1.848 0.000 1.023) 2.112 2.885 ( -0.947 0.000 -3.773) 3.890 2.885 ( -0.947 0.000 3.773) 3.890 2.920 ( 0.458 -0.000 -3.635) 3.664 2.920 ( 0.458 -0.000 3.635) 3.664 3.025 ( -2.285 0.000 -1.534) 2.753 3.025 ( -2.285 0.000 1.534) 2.753 3.064 ( -0.924 0.000 -2.323) 2.500 3.064 ( -0.924 0.000 2.323) 2.500 3.188 ( 4.511 0.000 -1.461) 4.742 3.188 ( 4.511 0.000 1.461) 4.742 3.195 ( 4.280 -0.000 -9.522) 10.440 3.195 ( 4.280 -0.000 9.522) 10.440 3.428 ( 2.762 0.000 -3.874) 4.758 3.428 ( 2.762 0.000 3.874) 4.758 3.457 ( 2.664 0.000 -1.566) 3.091 3.457 ( 2.664 -0.000 1.566) 3.091 3.521 ( -2.761 0.000 -0.965) 2.925 3.521 ( -2.761 0.000 0.965) 2.925 3.554 ( -3.934 0.000 -1.221) 4.119 3.554 ( -3.934 0.000 1.221) 4.119 3.871 ( 3.144 0.000 -2.465) 3.995 3.871 ( 3.144 0.000 2.465) 3.995 3.918 ( 3.017 -0.000 -1.221) 3.255 3.918 ( 3.017 0.000 1.221) 3.255 4.056 ( -0.510 0.000 -0.908) 1.041 4.056 ( -0.510 0.000 0.908) 1.041 4.209 ( -3.015 0.000 -0.934) 3.157 4.209 ( -3.015 0.000 0.934) 3.157 4.284 ( -0.962 0.000 -5.686) 5.767 4.284 ( -0.962 0.000 5.686) 5.767 4.376 ( -3.463 -0.000 -3.517) 4.935 4.376 ( -3.463 0.000 3.517) 4.935 4.429 ( -4.066 0.000 -7.604) 8.623 4.429 ( -4.066 0.000 7.604) 8.623 4.495 ( -5.879 0.000 -6.812) 8.997 4.495 ( -5.879 0.000 6.812) 8.998 4.755 ( 6.495 0.000 -5.397) 8.445 4.755 ( 6.495 -0.000 5.397) 8.445 4.827 ( 4.522 -0.000 -6.784) 8.153 4.827 ( 4.522 -0.000 6.784) 8.153 4.844 ( -2.230 0.000 -2.031) 3.017 4.844 ( -2.230 0.000 2.031) 3.017 4.969 ( -6.382 0.000 -2.817) 6.976 4.969 ( -6.382 -0.000 2.817) 6.976 5.122 ( 6.067 0.000 -5.121) 7.939 5.122 ( 6.067 0.000 5.121) 7.939 5.277 ( 2.414 0.000 -4.628) 5.220 5.277 ( 2.414 0.000 4.628) 5.220 5.767 ( -0.838 0.000 -6.728) 6.780 5.767 ( -0.838 -0.000 6.728) 6.780 5.783 ( -0.724 -0.000 -6.898) 6.936 5.783 ( -0.724 0.000 6.898) 6.936 8.279 ( -1.359 0.000 -6.764) 6.899 8.279 ( -1.359 0.000 6.764) 6.899 8.302 ( -2.012 0.000 -7.095) 7.375 8.302 ( -2.012 -0.000 7.095) 7.375 8.460 ( 3.153 0.000 -3.084) 4.410 8.460 ( 3.153 0.000 3.084) 4.410 8.510 ( 2.608 0.000 -5.898) 6.449 8.510 ( 2.608 0.000 5.898) 6.449 8.688 ( 0.770 0.000 -3.508) 3.591 8.688 ( 0.770 0.000 3.508) 3.591 8.715 ( 1.551 0.000 -2.545) 2.980 8.715 ( 1.551 0.000 2.545) 2.980 8.804 ( -0.961 -0.000 -4.224) 4.332 8.804 ( -0.961 0.001 4.224) 4.332 8.805 ( -1.354 -0.001 -3.180) 3.457 8.805 ( -1.354 0.000 3.180) 3.457 8.932 ( -0.919 0.000 -5.351) 5.429 8.932 ( -0.919 0.000 5.351) 5.429 9.063 ( 2.552 0.000 -7.159) 7.601 9.063 ( 2.552 0.000 7.159) 7.601 9.120 ( -5.106 0.000 -0.714) 5.155 9.120 ( -5.106 -0.000 0.714) 5.155 9.170 ( -2.035 -0.000 -5.206) 5.589 9.170 ( -2.035 0.000 5.206) 5.589 9.845 ( 0.536 0.000 -5.171) 5.199 9.845 ( 0.536 0.000 5.171) 5.199 9.864 ( 0.334 -0.000 -4.081) 4.094 9.864 ( 0.334 0.000 4.081) 4.094 10.042 ( 0.412 -0.000 -2.744) 2.775 10.042 ( 0.412 -0.000 2.744) 2.775 10.044 ( 0.477 0.000 -2.714) 2.755 10.044 ( 0.477 0.000 2.714) 2.755 10.291 ( -1.848 0.000 -6.307) 6.572 10.291 ( -1.848 0.000 6.307) 6.572 10.399 ( -1.232 0.000 -1.407) 1.871 10.399 ( -1.232 0.000 1.407) 1.871 10.452 ( 3.456 0.000 -3.874) 5.192 10.452 ( 3.456 0.000 3.874) 5.192 10.530 ( 4.366 -0.000 -4.082) 5.977 10.530 ( 4.366 0.000 4.082) 5.977 10.677 ( -3.354 0.000 -7.563) 8.273 10.677 ( -3.354 0.000 7.563) 8.273 10.841 ( -3.022 0.000 -4.270) 5.232 10.841 ( -3.022 -0.000 4.270) 5.232 11.100 ( 0.773 0.000 -6.159) 6.208 11.100 ( 0.773 0.000 6.159) 6.208 11.105 ( 2.149 -0.000 -7.474) 7.777 11.105 ( 2.149 0.000 7.474) 7.777 11.648 ( -0.711 0.000 -3.713) 3.781 11.648 ( -0.711 0.000 3.713) 3.781 11.739 ( -0.396 0.000 -7.088) 7.099 11.739 ( -0.396 0.000 7.088) 7.099 12.032 ( 2.413 -0.000 -9.064) 9.380 12.032 ( 2.413 0.000 9.064) 9.380 12.281 ( 6.964 0.000 -10.265) 12.405 12.281 ( 6.964 0.000 10.265) 12.405 12.425 ( -5.313 0.000 -10.169) 11.473 12.425 ( -5.313 0.000 10.169) 11.473 12.583 ( -0.562 0.000 -13.412) 13.424 12.583 ( -0.562 0.000 13.412) 13.424 13.264 ( 1.124 0.000 -8.819) 8.890 13.264 ( 1.124 0.000 8.819) 8.890 13.302 ( 2.447 -0.000 -8.138) 8.498 13.302 ( 2.447 -0.000 8.138) 8.498 13.631 ( -5.232 -0.000 -12.030) 13.118 13.631 ( -5.232 0.000 12.030) 13.118 13.682 ( -3.879 0.000 -3.248) 5.059 13.682 ( -3.879 0.000 3.248) 5.059 14.361 ( 2.314 0.000 -10.894) 11.137 14.361 ( 2.314 -0.000 10.894) 11.137 14.365 ( 2.288 0.000 -5.401) 5.866 14.365 ( 2.288 -0.000 5.401) 5.866 14.945 ( -6.562 0.000 -10.052) 12.004 14.945 ( -6.562 0.000 10.052) 12.004 14.957 ( -6.285 0.000 -9.869) 11.701 14.957 ( -6.285 -0.000 9.869) 11.701 15.709 ( -0.935 0.000 -5.866) 5.940 15.709 ( -0.935 -0.000 5.866) 5.940 15.713 ( -0.884 -0.000 -5.578) 5.647 15.713 ( -0.884 0.000 5.578) 5.647 15.999 ( 2.854 0.000 -1.528) 3.237 15.999 ( 2.854 -0.000 1.528) 3.237 16.024 ( 2.460 0.000 -4.980) 5.554 16.024 ( 2.460 -0.000 4.980) 5.554 16.173 ( 3.142 0.000 -5.612) 6.432 16.173 ( 3.142 0.000 5.612) 6.432 16.234 ( 2.907 0.000 -7.471) 8.017 16.234 ( 2.907 0.000 7.471) 8.017 16.638 ( 0.737 0.000 -4.614) 4.673 16.638 ( 0.737 0.000 4.614) 4.673 16.674 ( 0.830 0.000 -3.525) 3.621 16.674 ( 0.830 0.000 3.525) 3.621 17.862 ( 1.502 0.000 -2.881) 3.249 17.862 ( 1.502 0.000 2.881) 3.249 17.875 ( 1.644 -0.000 -2.379) 2.892 17.875 ( 1.644 0.000 2.379) 2.892 18.225 ( -1.989 0.000 -5.199) 5.566 18.225 ( -1.989 0.000 5.199) 5.567 18.243 ( -1.863 -0.000 -7.241) 7.477 18.243 ( -1.863 0.000 7.241) 7.477 18.730 ( 0.291 0.000 -1.658) 1.684 18.730 ( 0.291 0.000 1.658) 1.684 18.754 ( 0.391 0.000 -2.215) 2.250 18.754 ( 0.391 0.000 2.215) 2.250 18.935 ( -0.307 -0.000 -4.041) 4.052 18.935 ( -0.307 -0.000 4.041) 4.052 18.972 ( -0.219 0.000 -4.600) 4.605 18.972 ( -0.219 0.000 4.600) 4.605 ======================= Grid point 138 (45/45) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -0.627 0.000 -10.697) 10.716 2.110 ( 0.627 0.000 -10.697) 10.716 2.110 ( -0.627 0.000 10.697) 10.716 2.110 ( 0.627 0.000 10.697) 10.716 2.208 ( -2.157 0.000 -6.475) 6.825 2.208 ( 2.157 0.000 -6.475) 6.825 2.208 ( -2.157 0.000 6.475) 6.825 2.208 ( 2.157 0.000 6.475) 6.825 2.345 ( -4.510 0.000 -5.357) 7.002 2.345 ( 4.510 0.000 -5.357) 7.002 2.345 ( -4.510 0.000 5.357) 7.002 2.345 ( 4.510 0.000 5.357) 7.002 2.431 ( -1.992 -0.000 -5.743) 6.078 2.431 ( 1.992 0.000 -5.743) 6.078 2.431 ( -1.992 0.000 5.743) 6.078 2.431 ( 1.992 0.000 5.743) 6.078 2.762 ( -3.061 0.000 -2.301) 3.829 2.762 ( 3.061 0.000 -2.301) 3.829 2.762 ( -3.061 0.000 2.301) 3.829 2.762 ( 3.061 0.000 2.301) 3.829 2.898 ( -1.841 0.000 -2.579) 3.169 2.898 ( 1.841 -0.000 -2.579) 3.169 2.898 ( -1.841 0.000 2.579) 3.169 2.898 ( 1.841 0.000 2.579) 3.169 3.044 ( -1.848 0.000 -1.425) 2.333 3.044 ( 1.848 0.000 -1.425) 2.333 3.044 ( -1.848 -0.000 1.425) 2.333 3.044 ( 1.848 0.000 1.425) 2.333 3.251 ( -0.046 0.000 -6.936) 6.936 3.251 ( 0.046 0.000 -6.936) 6.936 3.251 ( -0.046 0.000 6.936) 6.936 3.251 ( 0.046 0.000 6.936) 6.936 3.466 ( -1.591 0.000 -0.899) 1.827 3.466 ( 1.591 0.000 -0.899) 1.827 3.466 ( -1.591 -0.000 0.899) 1.827 3.466 ( 1.591 0.000 0.899) 1.827 3.509 ( -0.366 0.000 -1.688) 1.727 3.509 ( 0.366 0.000 -1.688) 1.727 3.509 ( -0.366 0.000 1.688) 1.727 3.509 ( 0.366 -0.000 1.688) 1.727 3.916 ( -2.212 0.000 -2.024) 2.998 3.916 ( 2.212 0.000 -2.024) 2.998 3.916 ( -2.212 0.000 2.024) 2.998 3.916 ( 2.212 0.000 2.024) 2.998 4.133 ( -4.307 0.000 -1.290) 4.496 4.133 ( -4.307 0.000 1.290) 4.496 4.133 ( 4.307 0.000 -1.290) 4.496 4.133 ( 4.307 0.000 1.290) 4.496 4.281 ( -2.318 0.000 -1.080) 2.557 4.281 ( 2.318 0.000 -1.080) 2.557 4.281 ( -2.318 0.000 1.080) 2.557 4.281 ( 2.318 0.000 1.080) 2.557 4.411 ( -2.107 0.000 -6.455) 6.790 4.411 ( 2.107 -0.000 -6.455) 6.790 4.411 ( -2.107 0.000 6.455) 6.790 4.411 ( 2.107 0.000 6.455) 6.790 4.834 ( -2.471 -0.000 -0.966) 2.653 4.834 ( 2.471 0.000 -0.966) 2.653 4.834 ( -2.471 0.000 0.966) 2.653 4.834 ( 2.471 -0.000 0.966) 2.653 4.881 ( -2.933 0.000 -6.776) 7.384 4.881 ( 2.933 0.000 -6.776) 7.384 4.881 ( -2.933 0.000 6.776) 7.384 4.881 ( 2.933 0.000 6.776) 7.384 5.246 ( -4.665 0.000 -5.663) 7.337 5.246 ( 4.665 0.000 -5.663) 7.337 5.246 ( -4.665 0.000 5.663) 7.337 5.246 ( 4.665 0.000 5.663) 7.337 5.766 ( -0.628 0.000 -7.277) 7.304 5.766 ( 0.628 0.000 -7.277) 7.304 5.766 ( -0.628 0.000 7.277) 7.304 5.766 ( 0.628 0.000 7.277) 7.304 8.270 ( -0.596 0.000 -7.461) 7.485 8.270 ( 0.596 0.000 -7.461) 7.485 8.270 ( -0.596 0.000 7.461) 7.485 8.270 ( 0.596 0.000 7.461) 7.485 8.523 ( -1.655 0.000 -4.236) 4.548 8.523 ( 1.655 0.000 -4.236) 4.548 8.523 ( -1.655 0.000 4.236) 4.548 8.523 ( 1.655 0.000 4.236) 4.548 8.714 ( -1.449 0.000 -2.984) 3.318 8.714 ( 1.449 0.000 -2.984) 3.318 8.714 ( -1.449 0.000 2.984) 3.318 8.714 ( 1.449 0.000 2.984) 3.318 8.790 ( -0.243 0.000 -5.052) 5.058 8.790 ( 0.243 -0.000 -5.052) 5.058 8.790 ( -0.243 0.000 5.052) 5.058 8.790 ( 0.243 0.000 5.052) 5.058 8.987 ( -5.634 0.000 -3.355) 6.558 8.987 ( 5.634 0.000 -3.355) 6.558 8.987 ( -5.634 0.000 3.355) 6.558 8.987 ( 5.634 0.000 3.355) 6.558 9.119 ( -2.432 0.000 -5.756) 6.249 9.119 ( 2.432 -0.000 -5.756) 6.249 9.119 ( -2.432 0.000 5.756) 6.249 9.119 ( 2.432 0.000 5.756) 6.249 9.861 ( -0.612 0.000 -4.986) 5.024 9.861 ( 0.612 -0.000 -4.986) 5.024 9.861 ( -0.612 0.000 4.986) 5.024 9.861 ( 0.612 0.000 4.986) 5.024 10.052 ( -0.142 0.000 -0.443) 0.465 10.052 ( 0.142 0.000 -0.443) 0.465 10.052 ( -0.142 0.000 0.443) 0.465 10.052 ( 0.142 0.000 0.443) 0.465 10.318 ( -4.301 -0.000 -8.124) 9.192 10.318 ( 4.301 0.000 -8.124) 9.192 10.318 ( -4.301 0.000 8.124) 9.192 10.318 ( 4.301 0.000 8.124) 9.192 10.523 ( -2.469 0.000 -1.517) 2.898 10.523 ( 2.469 0.000 -1.517) 2.898 10.523 ( -2.469 0.000 1.517) 2.898 10.523 ( 2.469 0.000 1.517) 2.898 10.742 ( -5.390 0.000 -3.467) 6.408 10.742 ( 5.390 0.000 -3.467) 6.408 10.742 ( -5.390 0.000 3.467) 6.408 10.742 ( 5.390 -0.000 3.467) 6.408 11.123 ( -0.821 0.000 -12.621) 12.648 11.123 ( 0.821 0.000 -12.621) 12.648 11.123 ( -0.821 0.000 12.621) 12.648 11.123 ( 0.821 0.000 12.621) 12.648 11.676 ( -3.396 0.000 -2.137) 4.012 11.676 ( 3.396 0.000 -2.137) 4.012 11.676 ( -3.396 0.000 2.137) 4.012 11.676 ( 3.396 -0.000 2.137) 4.012 12.181 ( -9.414 0.000 -8.810) 12.894 12.181 ( 9.414 0.000 -8.810) 12.894 12.181 ( -9.414 0.000 8.810) 12.894 12.181 ( 9.414 0.000 8.810) 12.894 12.510 ( -6.331 0.000 -9.611) 11.509 12.510 ( 6.331 0.000 -9.611) 11.509 12.510 ( -6.331 0.000 9.611) 11.509 12.510 ( 6.331 0.000 9.611) 11.509 13.312 ( -2.360 0.000 -6.675) 7.080 13.312 ( 2.360 0.000 -6.675) 7.080 13.312 ( -2.360 0.000 6.675) 7.080 13.312 ( 2.360 0.000 6.675) 7.080 13.590 ( -2.829 0.000 -12.617) 12.930 13.590 ( 2.829 0.000 -12.617) 12.930 13.590 ( -2.829 0.000 12.617) 12.930 13.590 ( 2.829 0.000 12.617) 12.930 14.396 ( -0.157 0.000 -12.291) 12.292 14.396 ( 0.157 0.000 -12.291) 12.292 14.396 ( -0.157 0.000 12.291) 12.292 14.396 ( 0.157 0.000 12.291) 12.292 14.867 ( -0.600 0.000 -9.719) 9.737 14.867 ( 0.600 0.000 -9.719) 9.737 14.867 ( -0.600 0.000 9.719) 9.737 14.867 ( 0.600 0.000 9.719) 9.737 15.699 ( -0.153 0.000 -6.147) 6.149 15.699 ( 0.153 0.000 -6.147) 6.149 15.699 ( -0.153 0.000 6.147) 6.149 15.699 ( 0.153 0.000 6.147) 6.149 16.043 ( -0.722 0.000 -4.319) 4.379 16.043 ( 0.722 0.000 -4.319) 4.379 16.043 ( -0.722 0.000 4.319) 4.379 16.043 ( 0.722 0.000 4.319) 4.379 16.242 ( -2.118 0.000 -3.851) 4.395 16.242 ( 2.118 0.000 -3.851) 4.395 16.242 ( -2.118 0.000 3.851) 4.395 16.242 ( 2.118 0.000 3.851) 4.395 16.669 ( -1.376 0.000 -4.164) 4.386 16.669 ( 1.376 0.000 -4.164) 4.386 16.669 ( -1.376 0.000 4.164) 4.386 16.669 ( 1.376 0.000 4.164) 4.386 17.892 ( -0.556 0.000 -1.824) 1.907 17.892 ( 0.556 0.000 -1.824) 1.907 17.892 ( -0.556 0.000 1.824) 1.907 17.892 ( 0.556 0.000 1.824) 1.907 18.206 ( -0.730 0.000 -7.231) 7.267 18.206 ( 0.730 0.000 -7.231) 7.267 18.206 ( -0.730 0.000 7.231) 7.267 18.206 ( 0.730 0.000 7.231) 7.267 18.746 ( -0.926 0.000 -1.402) 1.680 18.746 ( 0.926 0.000 -1.402) 1.680 18.746 ( -0.926 0.000 1.402) 1.680 18.746 ( 0.926 0.000 1.402) 1.680 18.951 ( -1.391 0.000 -5.152) 5.337 18.951 ( 1.391 0.000 -5.152) 5.337 18.951 ( -1.391 0.000 5.152) 5.337 18.951 ( 1.391 0.000 5.152) 5.337 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23040 10.0 1446.591 1499.952 1379.221 0.000 0.000 -0.000 3/23040 20.0 380.643 385.116 386.211 0.000 0.000 -0.000 3/23040 30.0 165.534 155.588 171.397 0.000 0.000 -0.000 3/23040 40.0 95.251 87.067 100.036 0.000 0.000 -0.000 3/23040 50.0 64.526 58.338 68.326 0.000 0.000 -0.000 3/23040 60.0 47.848 43.139 50.909 0.000 0.000 -0.000 3/23040 70.0 37.412 33.772 39.927 0.000 0.000 -0.000 3/23040 80.0 30.291 27.428 32.395 0.000 0.000 -0.000 3/23040 90.0 25.167 22.874 26.958 0.000 0.000 -0.000 3/23040 100.0 21.347 19.478 22.895 0.000 0.000 -0.000 3/23040 110.0 18.424 16.872 19.781 0.000 0.000 -0.000 3/23040 120.0 16.138 14.829 17.343 0.000 0.000 -0.000 3/23040 130.0 14.316 13.194 15.399 0.000 0.000 -0.000 3/23040 140.0 12.841 11.866 13.823 0.000 0.000 -0.000 3/23040 150.0 11.627 10.769 12.526 0.000 0.000 -0.000 3/23040 160.0 10.616 9.852 11.445 0.000 0.000 -0.000 3/23040 170.0 9.763 9.076 10.532 0.000 0.000 -0.000 3/23040 180.0 9.034 8.412 9.753 0.000 0.000 -0.000 3/23040 190.0 8.407 7.838 9.081 0.000 0.000 -0.000 3/23040 200.0 7.861 7.338 8.496 0.000 0.000 -0.000 3/23040 210.0 7.383 6.898 7.983 0.000 0.000 -0.000 3/23040 220.0 6.960 6.509 7.530 0.000 0.000 -0.000 3/23040 230.0 6.584 6.162 7.127 0.000 0.000 -0.000 3/23040 240.0 6.247 5.851 6.765 0.000 0.000 -0.000 3/23040 250.0 5.944 5.571 6.440 0.000 0.000 -0.000 3/23040 260.0 5.670 5.317 6.146 0.000 0.000 -0.000 3/23040 270.0 5.421 5.086 5.878 0.000 0.000 -0.000 3/23040 280.0 5.194 4.875 5.633 0.000 0.000 -0.000 3/23040 290.0 4.985 4.681 5.409 0.000 0.000 -0.000 3/23040 300.0 4.793 4.503 5.202 0.000 0.000 -0.000 3/23040 310.0 4.616 4.338 5.011 0.000 0.000 -0.000 3/23040 320.0 4.452 4.185 4.834 0.000 0.000 -0.000 3/23040 330.0 4.299 4.043 4.670 0.000 0.000 -0.000 3/23040 340.0 4.157 3.910 4.517 0.000 0.000 -0.000 3/23040 350.0 4.025 3.786 4.374 0.000 0.000 -0.000 3/23040 360.0 3.900 3.670 4.240 0.000 0.000 -0.000 3/23040 370.0 3.784 3.562 4.114 0.000 0.000 -0.000 3/23040 380.0 3.674 3.459 3.996 0.000 0.000 -0.000 3/23040 390.0 3.571 3.363 3.884 0.000 0.000 -0.000 3/23040 400.0 3.474 3.272 3.779 0.000 0.000 -0.000 3/23040 410.0 3.382 3.185 3.679 0.000 0.000 -0.000 3/23040 420.0 3.295 3.104 3.585 0.000 0.000 -0.000 3/23040 430.0 3.212 3.026 3.496 0.000 0.000 -0.000 3/23040 440.0 3.134 2.953 3.411 0.000 0.000 -0.000 3/23040 450.0 3.059 2.883 3.330 0.000 0.000 -0.000 3/23040 460.0 2.988 2.816 3.253 0.000 0.000 -0.000 3/23040 470.0 2.920 2.753 3.180 0.000 0.000 -0.000 3/23040 480.0 2.855 2.692 3.110 0.000 0.000 -0.000 3/23040 490.0 2.794 2.634 3.043 0.000 0.000 -0.000 3/23040 500.0 2.735 2.578 2.979 0.000 0.000 -0.000 3/23040 510.0 2.678 2.525 2.917 0.000 0.000 -0.000 3/23040 520.0 2.624 2.474 2.858 0.000 0.000 -0.000 3/23040 530.0 2.572 2.425 2.802 0.000 0.000 -0.000 3/23040 540.0 2.522 2.378 2.748 0.000 0.000 -0.000 3/23040 550.0 2.474 2.333 2.695 0.000 0.000 -0.000 3/23040 560.0 2.427 2.290 2.645 0.000 0.000 -0.000 3/23040 570.0 2.383 2.248 2.597 0.000 0.000 -0.000 3/23040 580.0 2.340 2.208 2.551 0.000 0.000 -0.000 3/23040 590.0 2.299 2.169 2.506 0.000 0.000 -0.000 3/23040 600.0 2.259 2.131 2.462 0.000 0.000 -0.000 3/23040 610.0 2.221 2.095 2.421 0.000 0.000 -0.000 3/23040 620.0 2.183 2.060 2.380 0.000 0.000 -0.000 3/23040 630.0 2.148 2.027 2.341 0.000 0.000 -0.000 3/23040 640.0 2.113 1.994 2.304 0.000 0.000 -0.000 3/23040 650.0 2.079 1.962 2.267 0.000 0.000 -0.000 3/23040 660.0 2.047 1.932 2.232 0.000 0.000 -0.000 3/23040 670.0 2.015 1.902 2.197 0.000 0.000 -0.000 3/23040 680.0 1.985 1.873 2.164 0.000 0.000 -0.000 3/23040 690.0 1.955 1.845 2.132 0.000 0.000 -0.000 3/23040 700.0 1.926 1.818 2.101 0.000 0.000 -0.000 3/23040 710.0 1.898 1.792 2.070 0.000 0.000 -0.000 3/23040 720.0 1.871 1.767 2.041 0.000 0.000 -0.000 3/23040 730.0 1.845 1.742 2.012 0.000 0.000 -0.000 3/23040 740.0 1.819 1.718 1.985 0.000 0.000 -0.000 3/23040 750.0 1.795 1.694 1.957 0.000 0.000 -0.000 3/23040 760.0 1.770 1.671 1.931 0.000 0.000 -0.000 3/23040 770.0 1.747 1.649 1.906 0.000 0.000 -0.000 3/23040 780.0 1.724 1.628 1.881 0.000 0.000 -0.000 3/23040 790.0 1.702 1.607 1.856 0.000 0.000 -0.000 3/23040 800.0 1.680 1.586 1.833 0.000 0.000 -0.000 3/23040 810.0 1.659 1.566 1.810 0.000 0.000 -0.000 3/23040 820.0 1.638 1.547 1.787 0.000 0.000 -0.000 3/23040 830.0 1.618 1.528 1.765 0.000 0.000 -0.000 3/23040 840.0 1.598 1.509 1.744 0.000 0.000 -0.000 3/23040 850.0 1.579 1.491 1.723 0.000 0.000 -0.000 3/23040 860.0 1.560 1.474 1.703 0.000 0.000 -0.000 3/23040 870.0 1.542 1.456 1.683 0.000 0.000 -0.000 3/23040 880.0 1.524 1.440 1.663 0.000 0.000 -0.000 3/23040 890.0 1.507 1.423 1.644 0.000 0.000 -0.000 3/23040 900.0 1.490 1.407 1.626 0.000 0.000 -0.000 3/23040 910.0 1.473 1.391 1.608 0.000 0.000 -0.000 3/23040 920.0 1.457 1.376 1.590 0.000 0.000 -0.000 3/23040 930.0 1.441 1.361 1.573 0.000 0.000 -0.000 3/23040 940.0 1.426 1.346 1.556 0.000 0.000 -0.000 3/23040 950.0 1.410 1.332 1.539 0.000 0.000 -0.000 3/23040 960.0 1.395 1.318 1.523 0.000 0.000 -0.000 3/23040 970.0 1.381 1.304 1.507 0.000 0.000 -0.000 3/23040 980.0 1.367 1.291 1.491 0.000 0.000 -0.000 3/23040 990.0 1.353 1.278 1.476 0.000 0.000 -0.000 3/23040 1000.0 1.339 1.265 1.461 0.000 0.000 -0.000 3/23040 Thermal conductivity related properties were written into "kappa-m484.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:07:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|