----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:21:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.991785926068466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): *1 Ag 0.56241724556584 0.32786331971658 0.71306319430050 107.868 *2 Ag 0.40039484481847 0.35648645252637 0.96369905285342 107.868 3 Ag 0.56241724556584 0.17213668028342 0.21306319430050 107.868 4 Ag 0.59960515518153 0.85648645252637 0.53630094714658 107.868 5 Ag 0.43758275443416 0.82786331971658 0.78693680569950 107.868 6 Ag 0.59960515518153 0.64351354747363 0.03630094714658 107.868 7 Ag 0.40039484481847 0.14351354747363 0.46369905285342 107.868 8 Ag 0.43758275443416 0.67213668028342 0.28693680569950 107.868 *9 Te 0.89954508699046 0.37370317270523 0.49872515818301 127.600 *10 Te 0.92240806787650 0.92932314734689 0.31386099165104 127.600 11 Te 0.07759193212350 0.42932314734689 0.18613900834896 127.600 12 Te 0.10045491300954 0.87370317270523 0.00127484181699 127.600 13 Te 0.07759193212350 0.07067685265311 0.68613900834896 127.600 14 Te 0.92240806787650 0.57067685265311 0.81386099165104 127.600 15 Te 0.89954508699046 0.12629682729477 0.99872515818301 127.600 16 Te 0.10045491300954 0.62629682729477 0.50127484181699 127.600 *17 O 0.77107254528511 0.03117820545950 0.47242331092858 15.999 *18 O 0.16664062511326 0.85905829661502 0.24262742544460 15.999 *19 O 0.77560855049349 0.54097133459133 0.44987936532584 15.999 20 O 0.77560855049349 0.95902866540867 0.94987936532584 15.999 *21 O 0.02074666950821 0.90323849126588 0.76243896362817 15.999 22 O 0.83335937488674 0.14094170338498 0.75737257455540 15.999 *23 O 0.43008047117282 0.68637315755746 0.57369536529934 15.999 24 O 0.02074666950821 0.59676150873412 0.26243896362817 15.999 *25 O 0.09902288202593 0.26713579212174 0.07113655352332 15.999 26 O 0.97925333049179 0.40323849126588 0.73756103637183 15.999 27 O 0.09902288202593 0.23286420787826 0.57113655352332 15.999 28 O 0.22892745471489 0.53117820545950 0.02757668907142 15.999 29 O 0.22892745471489 0.96882179454050 0.52757668907142 15.999 30 O 0.90097711797407 0.73286420787826 0.92886344647668 15.999 31 O 0.43008047117282 0.81362684244254 0.07369536529934 15.999 32 O 0.22439144950651 0.04097133459133 0.05012063467416 15.999 33 O 0.77107254528511 0.46882179454050 0.97242331092858 15.999 34 O 0.56991952882718 0.31362684244254 0.42630463470066 15.999 35 O 0.83335937488674 0.35905829661502 0.25737257455540 15.999 36 O 0.97925333049179 0.09676150873412 0.23756103637183 15.999 37 O 0.16664062511326 0.64094170338498 0.74262742544460 15.999 38 O 0.56991952882718 0.18637315755746 0.92630463470066 15.999 39 O 0.22439144950651 0.45902866540867 0.55012063467416 15.999 40 O 0.90097711797407 0.76713579212174 0.42886344647668 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.991785926068466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): *1 Ag 0.56241724556584 0.32786331971658 0.71306319430050 107.868 > 1 *2 Ag 0.40039484481847 0.35648645252637 0.96369905285342 107.868 > 2 3 Ag 0.56241724556584 0.17213668028342 0.21306319430050 107.868 > 3 4 Ag 0.59960515518153 0.85648645252637 0.53630094714658 107.868 > 4 5 Ag 0.43758275443416 0.82786331971658 0.78693680569950 107.868 > 5 6 Ag 0.59960515518153 0.64351354747363 0.03630094714658 107.868 > 6 7 Ag 0.40039484481847 0.14351354747363 0.46369905285342 107.868 > 7 8 Ag 0.43758275443416 0.67213668028342 0.28693680569950 107.868 > 8 *9 Te 0.89954508699046 0.37370317270523 0.49872515818301 127.600 > 9 *10 Te 0.92240806787650 0.92932314734689 0.31386099165104 127.600 > 10 11 Te 0.07759193212350 0.42932314734689 0.18613900834896 127.600 > 11 12 Te 0.10045491300954 0.87370317270523 0.00127484181699 127.600 > 12 13 Te 0.07759193212350 0.07067685265311 0.68613900834896 127.600 > 13 14 Te 0.92240806787650 0.57067685265311 0.81386099165104 127.600 > 14 15 Te 0.89954508699046 0.12629682729477 0.99872515818301 127.600 > 15 16 Te 0.10045491300954 0.62629682729477 0.50127484181699 127.600 > 16 *17 O 0.77107254528511 0.03117820545950 0.47242331092858 15.999 > 17 *18 O 0.16664062511326 0.85905829661502 0.24262742544460 15.999 > 18 *19 O 0.77560855049349 0.54097133459133 0.44987936532584 15.999 > 19 20 O 0.77560855049349 0.95902866540867 0.94987936532584 15.999 > 20 *21 O 0.02074666950821 0.90323849126588 0.76243896362817 15.999 > 21 22 O 0.83335937488674 0.14094170338498 0.75737257455540 15.999 > 22 *23 O 0.43008047117282 0.68637315755746 0.57369536529934 15.999 > 23 24 O 0.02074666950821 0.59676150873412 0.26243896362817 15.999 > 24 *25 O 0.09902288202593 0.26713579212174 0.07113655352332 15.999 > 25 26 O 0.97925333049179 0.40323849126588 0.73756103637183 15.999 > 26 27 O 0.09902288202593 0.23286420787826 0.57113655352332 15.999 > 27 28 O 0.22892745471489 0.53117820545950 0.02757668907142 15.999 > 28 29 O 0.22892745471489 0.96882179454050 0.52757668907142 15.999 > 29 30 O 0.90097711797407 0.73286420787826 0.92886344647668 15.999 > 30 31 O 0.43008047117282 0.81362684244254 0.07369536529934 15.999 > 31 32 O 0.22439144950651 0.04097133459133 0.05012063467416 15.999 > 32 33 O 0.77107254528511 0.46882179454050 0.97242331092858 15.999 > 33 34 O 0.56991952882718 0.31362684244254 0.42630463470066 15.999 > 34 35 O 0.83335937488674 0.35905829661502 0.25737257455540 15.999 > 35 36 O 0.97925333049179 0.09676150873412 0.23756103637183 15.999 > 36 37 O 0.16664062511326 0.64094170338498 0.74262742544460 15.999 > 37 38 O 0.56991952882718 0.18637315755746 0.92630463470066 15.999 > 38 39 O 0.22439144950651 0.45902866540867 0.55012063467416 15.999 > 39 40 O 0.90097711797407 0.76713579212174 0.42886344647668 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.983571852136931 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): *1 Ag 0.28120862278292 0.32786331971658 0.71306319430050 107.868 > 1 2 Ag 0.78120862278292 0.32786331971658 0.71306319430050 107.868 > 1 *3 Ag 0.20019742240923 0.35648645252637 0.96369905285342 107.868 > 2 4 Ag 0.70019742240923 0.35648645252637 0.96369905285342 107.868 > 2 5 Ag 0.28120862278292 0.17213668028342 0.21306319430050 107.868 > 3 6 Ag 0.78120862278292 0.17213668028342 0.21306319430050 107.868 > 3 7 Ag 0.29980257759077 0.85648645252637 0.53630094714658 107.868 > 4 8 Ag 0.79980257759077 0.85648645252637 0.53630094714658 107.868 > 4 9 Ag 0.21879137721708 0.82786331971658 0.78693680569950 107.868 > 5 10 Ag 0.71879137721708 0.82786331971658 0.78693680569950 107.868 > 5 11 Ag 0.29980257759077 0.64351354747363 0.03630094714658 107.868 > 6 12 Ag 0.79980257759077 0.64351354747363 0.03630094714658 107.868 > 6 13 Ag 0.20019742240923 0.14351354747363 0.46369905285342 107.868 > 7 14 Ag 0.70019742240923 0.14351354747363 0.46369905285342 107.868 > 7 15 Ag 0.21879137721708 0.67213668028342 0.28693680569950 107.868 > 8 16 Ag 0.71879137721708 0.67213668028342 0.28693680569950 107.868 > 8 *17 Te 0.44977254349523 0.37370317270523 0.49872515818301 127.600 > 9 18 Te 0.94977254349523 0.37370317270523 0.49872515818301 127.600 > 9 *19 Te 0.46120403393825 0.92932314734689 0.31386099165104 127.600 > 10 20 Te 0.96120403393825 0.92932314734689 0.31386099165104 127.600 > 10 21 Te 0.03879596606175 0.42932314734689 0.18613900834896 127.600 > 11 22 Te 0.53879596606175 0.42932314734689 0.18613900834896 127.600 > 11 23 Te 0.05022745650477 0.87370317270523 0.00127484181699 127.600 > 12 24 Te 0.55022745650477 0.87370317270523 0.00127484181699 127.600 > 12 25 Te 0.03879596606175 0.07067685265311 0.68613900834896 127.600 > 13 26 Te 0.53879596606175 0.07067685265311 0.68613900834896 127.600 > 13 27 Te 0.46120403393825 0.57067685265311 0.81386099165104 127.600 > 14 28 Te 0.96120403393825 0.57067685265311 0.81386099165104 127.600 > 14 29 Te 0.44977254349523 0.12629682729477 0.99872515818301 127.600 > 15 30 Te 0.94977254349523 0.12629682729477 0.99872515818301 127.600 > 15 31 Te 0.05022745650477 0.62629682729477 0.50127484181699 127.600 > 16 32 Te 0.55022745650477 0.62629682729477 0.50127484181699 127.600 > 16 *33 O 0.38553627264256 0.03117820545950 0.47242331092858 15.999 > 17 34 O 0.88553627264256 0.03117820545950 0.47242331092858 15.999 > 17 *35 O 0.08332031255663 0.85905829661502 0.24262742544460 15.999 > 18 36 O 0.58332031255663 0.85905829661502 0.24262742544460 15.999 > 18 *37 O 0.38780427524674 0.54097133459133 0.44987936532584 15.999 > 19 38 O 0.88780427524674 0.54097133459133 0.44987936532584 15.999 > 19 39 O 0.38780427524674 0.95902866540867 0.94987936532584 15.999 > 20 40 O 0.88780427524674 0.95902866540867 0.94987936532584 15.999 > 20 *41 O 0.01037333475410 0.90323849126588 0.76243896362817 15.999 > 21 42 O 0.51037333475410 0.90323849126588 0.76243896362817 15.999 > 21 43 O 0.41667968744337 0.14094170338498 0.75737257455540 15.999 > 22 44 O 0.91667968744337 0.14094170338498 0.75737257455540 15.999 > 22 *45 O 0.21504023558641 0.68637315755746 0.57369536529934 15.999 > 23 46 O 0.71504023558641 0.68637315755746 0.57369536529934 15.999 > 23 47 O 0.01037333475410 0.59676150873412 0.26243896362817 15.999 > 24 48 O 0.51037333475410 0.59676150873412 0.26243896362817 15.999 > 24 *49 O 0.04951144101296 0.26713579212174 0.07113655352332 15.999 > 25 50 O 0.54951144101296 0.26713579212174 0.07113655352332 15.999 > 25 51 O 0.48962666524590 0.40323849126588 0.73756103637183 15.999 > 26 52 O 0.98962666524590 0.40323849126588 0.73756103637183 15.999 > 26 53 O 0.04951144101296 0.23286420787826 0.57113655352332 15.999 > 27 54 O 0.54951144101296 0.23286420787826 0.57113655352332 15.999 > 27 55 O 0.11446372735745 0.53117820545950 0.02757668907142 15.999 > 28 56 O 0.61446372735745 0.53117820545950 0.02757668907142 15.999 > 28 57 O 0.11446372735745 0.96882179454050 0.52757668907142 15.999 > 29 58 O 0.61446372735745 0.96882179454050 0.52757668907142 15.999 > 29 59 O 0.45048855898704 0.73286420787826 0.92886344647668 15.999 > 30 60 O 0.95048855898704 0.73286420787826 0.92886344647668 15.999 > 30 61 O 0.21504023558641 0.81362684244254 0.07369536529934 15.999 > 31 62 O 0.71504023558641 0.81362684244254 0.07369536529934 15.999 > 31 63 O 0.11219572475326 0.04097133459133 0.05012063467416 15.999 > 32 64 O 0.61219572475326 0.04097133459133 0.05012063467416 15.999 > 32 65 O 0.38553627264256 0.46882179454050 0.97242331092858 15.999 > 33 66 O 0.88553627264256 0.46882179454050 0.97242331092858 15.999 > 33 67 O 0.28495976441359 0.31362684244254 0.42630463470066 15.999 > 34 68 O 0.78495976441359 0.31362684244254 0.42630463470066 15.999 > 34 69 O 0.41667968744337 0.35905829661502 0.25737257455540 15.999 > 35 70 O 0.91667968744337 0.35905829661502 0.25737257455540 15.999 > 35 71 O 0.48962666524590 0.09676150873412 0.23756103637183 15.999 > 36 72 O 0.98962666524590 0.09676150873412 0.23756103637183 15.999 > 36 73 O 0.08332031255663 0.64094170338498 0.74262742544460 15.999 > 37 74 O 0.58332031255663 0.64094170338498 0.74262742544460 15.999 > 37 75 O 0.28495976441359 0.18637315755746 0.92630463470066 15.999 > 38 76 O 0.78495976441359 0.18637315755746 0.92630463470066 15.999 > 38 77 O 0.11219572475326 0.45902866540867 0.55012063467416 15.999 > 39 78 O 0.61219572475326 0.45902866540867 0.55012063467416 15.999 > 39 79 O 0.45048855898704 0.76713579212174 0.42886344647668 15.999 > 40 80 O 0.95048855898704 0.76713579212174 0.42886344647668 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3376271 0.0000000 -0.4915009 0.0000000 7.3566390 0.0000000 -0.4915019 0.0000000 6.0864291 -------------------------- Born effective charges -------------------------- 1 Ag 1.4497311 -0.1050929 0.0794564 0.1301954 1.2367202 -0.0148931 0.0824701 -0.1848365 1.4132959 2 Ag 1.6450528 -0.1015574 0.2371272 -0.1274105 1.3151116 -0.0718375 0.1298286 0.0107607 1.2123876 3 Ag 1.4497311 0.1050929 0.0794564 -0.1301954 1.2367202 0.0148931 0.0824701 0.1848365 1.4132959 4 Ag 1.6450528 0.1015574 0.2371272 0.1274105 1.3151116 0.0718375 0.1298286 -0.0107607 1.2123876 5 Ag 1.4497311 0.1050929 0.0794564 -0.1301954 1.2367202 0.0148931 0.0824701 0.1848365 1.4132959 6 Ag 1.6450528 -0.1015574 0.2371272 -0.1274105 1.3151116 -0.0718375 0.1298286 0.0107607 1.2123876 7 Ag 1.6450528 0.1015574 0.2371272 0.1274105 1.3151116 0.0718375 0.1298286 -0.0107607 1.2123876 8 Ag 1.4497311 -0.1050929 0.0794564 0.1301954 1.2367202 -0.0148931 0.0824701 -0.1848365 1.4132959 9 Te 4.5340430 0.2957225 -1.1109976 -0.0494297 5.9540158 0.6596466 -0.4594880 0.0892751 5.8920470 10 Te 4.4003023 0.1374752 -1.2787339 0.2179226 6.3852590 0.0316418 -1.8357587 -0.2888420 4.6606064 11 Te 4.4003023 -0.1374752 -1.2787339 -0.2179226 6.3852590 -0.0316418 -1.8357587 0.2888420 4.6606064 12 Te 4.5340430 -0.2957225 -1.1109976 0.0494297 5.9540158 -0.6596466 -0.4594880 -0.0892751 5.8920470 13 Te 4.4003023 0.1374752 -1.2787339 0.2179226 6.3852590 0.0316418 -1.8357587 -0.2888420 4.6606064 14 Te 4.4003023 -0.1374752 -1.2787339 -0.2179226 6.3852590 -0.0316418 -1.8357587 0.2888420 4.6606064 15 Te 4.5340430 -0.2957225 -1.1109976 0.0494297 5.9540158 -0.6596466 -0.4594880 -0.0892751 5.8920470 16 Te 4.5340430 0.2957225 -1.1109976 -0.0494297 5.9540158 0.6596466 -0.4594880 0.0892751 5.8920470 17 O -1.9943614 0.5318770 0.4238550 0.4384331 -1.9780845 -0.9040722 0.1005669 -0.6571821 -2.7266963 18 O -2.7692735 0.5547340 1.4176339 1.0662204 -1.5992567 -0.5071203 1.5770057 -0.2219911 -2.6011494 19 O -1.8534019 -0.3649817 -0.0001248 -0.3339986 -2.9130122 -0.0726346 0.1066883 0.1517525 -1.7710802 20 O -1.8534019 0.3649817 -0.0001248 0.3339986 -2.9130122 0.0726346 0.1066883 -0.1517525 -1.7710802 21 O -1.5891771 -0.5634044 0.4100952 -0.8423522 -2.9813589 1.1673186 0.7104457 1.0962790 -2.6180089 22 O -2.7692735 0.5547340 1.4176339 1.0662204 -1.5992567 -0.5071203 1.5770057 -0.2219911 -2.6011494 23 O -2.1348168 0.0293631 -0.1850722 -0.1810149 -1.4676697 -0.2993593 -0.2066057 -0.1196366 -1.8162810 24 O -1.5891771 0.5634044 0.4100952 0.8423522 -2.9813589 -1.1673186 0.7104457 -1.0962790 -2.6180089 25 O -1.6880984 0.1046170 0.0067609 -0.2371371 -3.9517246 -0.8560215 -0.2051529 -0.7642783 -1.6451212 26 O -1.5891771 0.5634044 0.4100952 0.8423522 -2.9813589 -1.1673186 0.7104457 -1.0962790 -2.6180089 27 O -1.6880984 -0.1046170 0.0067609 0.2371371 -3.9517246 0.8560215 -0.2051529 0.7642783 -1.6451212 28 O -1.9943614 -0.5318770 0.4238550 -0.4384331 -1.9780845 0.9040722 0.1005669 0.6571821 -2.7266963 29 O -1.9943614 0.5318770 0.4238550 0.4384331 -1.9780845 -0.9040722 0.1005669 -0.6571821 -2.7266963 30 O -1.6880984 0.1046170 0.0067609 -0.2371371 -3.9517246 -0.8560215 -0.2051529 -0.7642783 -1.6451212 31 O -2.1348168 -0.0293631 -0.1850722 0.1810149 -1.4676697 0.2993593 -0.2066057 0.1196366 -1.8162810 32 O -1.8534019 0.3649817 -0.0001248 0.3339986 -2.9130122 0.0726346 0.1066883 -0.1517525 -1.7710802 33 O -1.9943614 -0.5318770 0.4238550 -0.4384331 -1.9780845 0.9040722 0.1005669 0.6571821 -2.7266963 34 O -2.1348168 0.0293631 -0.1850722 -0.1810149 -1.4676697 -0.2993593 -0.2066057 -0.1196366 -1.8162810 35 O -2.7692735 -0.5547340 1.4176339 -1.0662204 -1.5992567 0.5071203 1.5770057 0.2219911 -2.6011494 36 O -1.5891771 -0.5634044 0.4100952 -0.8423522 -2.9813589 1.1673186 0.7104457 1.0962790 -2.6180089 37 O -2.7692735 -0.5547340 1.4176339 -1.0662204 -1.5992567 0.5071203 1.5770057 0.2219911 -2.6011494 38 O -2.1348168 -0.0293631 -0.1850722 0.1810149 -1.4676697 0.2993593 -0.2066057 0.1196366 -1.8162810 39 O -1.8534019 -0.3649817 -0.0001248 -0.3339986 -2.9130122 -0.0726346 0.1066883 0.1517525 -1.7710802 40 O -1.6880984 -0.1046170 0.0067609 0.2371371 -3.9517246 0.8560215 -0.2051529 0.7642783 -1.6451212 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 1.063 Solver_block: 200 / 1200 - Time: 1.484 Solver_block: 300 / 1200 - Time: 0.931 Solver_block: 400 / 1200 - Time: 1.230 Solver_block: 500 / 1200 - Time: 1.567 Solver_block: 600 / 1200 - Time: 1.826 Solver_block: 700 / 1200 - Time: 0.775 Solver_block: 800 / 1200 - Time: 1.207 Solver_block: 900 / 1200 - Time: 1.478 Solver_block: 1000 / 1200 - Time: 1.623 Solver_block: 1100 / 1200 - Time: 1.066 Solver_block: 1200 / 1200 - Time: 1.321 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.163 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:22:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:22:29]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.991785926068466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): 1 Ag 0.56241724556584 0.32786331971658 0.71306319430050 107.868 2 Ag 0.40039484481847 0.35648645252637 0.96369905285342 107.868 3 Ag 0.56241724556584 0.17213668028342 0.21306319430050 107.868 4 Ag 0.59960515518153 0.85648645252637 0.53630094714658 107.868 5 Ag 0.43758275443416 0.82786331971658 0.78693680569950 107.868 6 Ag 0.59960515518153 0.64351354747363 0.03630094714658 107.868 7 Ag 0.40039484481847 0.14351354747363 0.46369905285342 107.868 8 Ag 0.43758275443416 0.67213668028342 0.28693680569950 107.868 9 Te 0.89954508699046 0.37370317270523 0.49872515818301 127.600 10 Te 0.92240806787650 0.92932314734689 0.31386099165104 127.600 11 Te 0.07759193212350 0.42932314734689 0.18613900834896 127.600 12 Te 0.10045491300954 0.87370317270523 0.00127484181699 127.600 13 Te 0.07759193212350 0.07067685265311 0.68613900834896 127.600 14 Te 0.92240806787650 0.57067685265311 0.81386099165104 127.600 15 Te 0.89954508699046 0.12629682729477 0.99872515818301 127.600 16 Te 0.10045491300954 0.62629682729477 0.50127484181699 127.600 17 O 0.77107254528511 0.03117820545950 0.47242331092858 15.999 18 O 0.16664062511326 0.85905829661502 0.24262742544460 15.999 19 O 0.77560855049349 0.54097133459133 0.44987936532584 15.999 20 O 0.77560855049349 0.95902866540867 0.94987936532584 15.999 21 O 0.02074666950821 0.90323849126588 0.76243896362817 15.999 22 O 0.83335937488674 0.14094170338498 0.75737257455540 15.999 23 O 0.43008047117282 0.68637315755746 0.57369536529934 15.999 24 O 0.02074666950821 0.59676150873412 0.26243896362817 15.999 25 O 0.09902288202593 0.26713579212174 0.07113655352332 15.999 26 O 0.97925333049179 0.40323849126588 0.73756103637183 15.999 27 O 0.09902288202593 0.23286420787826 0.57113655352332 15.999 28 O 0.22892745471489 0.53117820545950 0.02757668907142 15.999 29 O 0.22892745471489 0.96882179454050 0.52757668907142 15.999 30 O 0.90097711797407 0.73286420787826 0.92886344647668 15.999 31 O 0.43008047117282 0.81362684244254 0.07369536529934 15.999 32 O 0.22439144950651 0.04097133459133 0.05012063467416 15.999 33 O 0.77107254528511 0.46882179454050 0.97242331092858 15.999 34 O 0.56991952882718 0.31362684244254 0.42630463470066 15.999 35 O 0.83335937488674 0.35905829661502 0.25737257455540 15.999 36 O 0.97925333049179 0.09676150873412 0.23756103637183 15.999 37 O 0.16664062511326 0.64094170338498 0.74262742544460 15.999 38 O 0.56991952882718 0.18637315755746 0.92630463470066 15.999 39 O 0.22439144950651 0.45902866540867 0.55012063467416 15.999 40 O 0.90097711797407 0.76713579212174 0.42886344647668 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.983571852136931 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): 1 Ag 0.28120862278292 0.32786331971658 0.71306319430050 107.868 > 1 2 Ag 0.78120862278292 0.32786331971658 0.71306319430050 107.868 > 1 3 Ag 0.20019742240923 0.35648645252637 0.96369905285342 107.868 > 3 4 Ag 0.70019742240923 0.35648645252637 0.96369905285342 107.868 > 3 5 Ag 0.28120862278292 0.17213668028342 0.21306319430050 107.868 > 5 6 Ag 0.78120862278292 0.17213668028342 0.21306319430050 107.868 > 5 7 Ag 0.29980257759077 0.85648645252637 0.53630094714658 107.868 > 7 8 Ag 0.79980257759077 0.85648645252637 0.53630094714658 107.868 > 7 9 Ag 0.21879137721708 0.82786331971658 0.78693680569950 107.868 > 9 10 Ag 0.71879137721708 0.82786331971658 0.78693680569950 107.868 > 9 11 Ag 0.29980257759077 0.64351354747363 0.03630094714658 107.868 > 11 12 Ag 0.79980257759077 0.64351354747363 0.03630094714658 107.868 > 11 13 Ag 0.20019742240923 0.14351354747363 0.46369905285342 107.868 > 13 14 Ag 0.70019742240923 0.14351354747363 0.46369905285342 107.868 > 13 15 Ag 0.21879137721708 0.67213668028342 0.28693680569950 107.868 > 15 16 Ag 0.71879137721708 0.67213668028342 0.28693680569950 107.868 > 15 17 Te 0.44977254349523 0.37370317270523 0.49872515818301 127.600 > 17 18 Te 0.94977254349523 0.37370317270523 0.49872515818301 127.600 > 17 19 Te 0.46120403393825 0.92932314734689 0.31386099165104 127.600 > 19 20 Te 0.96120403393825 0.92932314734689 0.31386099165104 127.600 > 19 21 Te 0.03879596606175 0.42932314734689 0.18613900834896 127.600 > 21 22 Te 0.53879596606175 0.42932314734689 0.18613900834896 127.600 > 21 23 Te 0.05022745650477 0.87370317270523 0.00127484181699 127.600 > 23 24 Te 0.55022745650477 0.87370317270523 0.00127484181699 127.600 > 23 25 Te 0.03879596606175 0.07067685265311 0.68613900834896 127.600 > 25 26 Te 0.53879596606175 0.07067685265311 0.68613900834896 127.600 > 25 27 Te 0.46120403393825 0.57067685265311 0.81386099165104 127.600 > 27 28 Te 0.96120403393825 0.57067685265311 0.81386099165104 127.600 > 27 29 Te 0.44977254349523 0.12629682729477 0.99872515818301 127.600 > 29 30 Te 0.94977254349523 0.12629682729477 0.99872515818301 127.600 > 29 31 Te 0.05022745650477 0.62629682729477 0.50127484181699 127.600 > 31 32 Te 0.55022745650477 0.62629682729477 0.50127484181699 127.600 > 31 33 O 0.38553627264256 0.03117820545950 0.47242331092858 15.999 > 33 34 O 0.88553627264256 0.03117820545950 0.47242331092858 15.999 > 33 35 O 0.08332031255663 0.85905829661502 0.24262742544460 15.999 > 35 36 O 0.58332031255663 0.85905829661502 0.24262742544460 15.999 > 35 37 O 0.38780427524674 0.54097133459133 0.44987936532584 15.999 > 37 38 O 0.88780427524674 0.54097133459133 0.44987936532584 15.999 > 37 39 O 0.38780427524674 0.95902866540867 0.94987936532584 15.999 > 39 40 O 0.88780427524674 0.95902866540867 0.94987936532584 15.999 > 39 41 O 0.01037333475410 0.90323849126588 0.76243896362817 15.999 > 41 42 O 0.51037333475410 0.90323849126588 0.76243896362817 15.999 > 41 43 O 0.41667968744337 0.14094170338498 0.75737257455540 15.999 > 43 44 O 0.91667968744337 0.14094170338498 0.75737257455540 15.999 > 43 45 O 0.21504023558641 0.68637315755746 0.57369536529934 15.999 > 45 46 O 0.71504023558641 0.68637315755746 0.57369536529934 15.999 > 45 47 O 0.01037333475410 0.59676150873412 0.26243896362817 15.999 > 47 48 O 0.51037333475410 0.59676150873412 0.26243896362817 15.999 > 47 49 O 0.04951144101296 0.26713579212174 0.07113655352332 15.999 > 49 50 O 0.54951144101296 0.26713579212174 0.07113655352332 15.999 > 49 51 O 0.48962666524590 0.40323849126588 0.73756103637183 15.999 > 51 52 O 0.98962666524590 0.40323849126588 0.73756103637183 15.999 > 51 53 O 0.04951144101296 0.23286420787826 0.57113655352332 15.999 > 53 54 O 0.54951144101296 0.23286420787826 0.57113655352332 15.999 > 53 55 O 0.11446372735745 0.53117820545950 0.02757668907142 15.999 > 55 56 O 0.61446372735745 0.53117820545950 0.02757668907142 15.999 > 55 57 O 0.11446372735745 0.96882179454050 0.52757668907142 15.999 > 57 58 O 0.61446372735745 0.96882179454050 0.52757668907142 15.999 > 57 59 O 0.45048855898704 0.73286420787826 0.92886344647668 15.999 > 59 60 O 0.95048855898704 0.73286420787826 0.92886344647668 15.999 > 59 61 O 0.21504023558641 0.81362684244254 0.07369536529934 15.999 > 61 62 O 0.71504023558641 0.81362684244254 0.07369536529934 15.999 > 61 63 O 0.11219572475326 0.04097133459133 0.05012063467416 15.999 > 63 64 O 0.61219572475326 0.04097133459133 0.05012063467416 15.999 > 63 65 O 0.38553627264256 0.46882179454050 0.97242331092858 15.999 > 65 66 O 0.88553627264256 0.46882179454050 0.97242331092858 15.999 > 65 67 O 0.28495976441359 0.31362684244254 0.42630463470066 15.999 > 67 68 O 0.78495976441359 0.31362684244254 0.42630463470066 15.999 > 67 69 O 0.41667968744337 0.35905829661502 0.25737257455540 15.999 > 69 70 O 0.91667968744337 0.35905829661502 0.25737257455540 15.999 > 69 71 O 0.48962666524590 0.09676150873412 0.23756103637183 15.999 > 71 72 O 0.98962666524590 0.09676150873412 0.23756103637183 15.999 > 71 73 O 0.08332031255663 0.64094170338498 0.74262742544460 15.999 > 73 74 O 0.58332031255663 0.64094170338498 0.74262742544460 15.999 > 73 75 O 0.28495976441359 0.18637315755746 0.92630463470066 15.999 > 75 76 O 0.78495976441359 0.18637315755746 0.92630463470066 15.999 > 75 77 O 0.11219572475326 0.45902866540867 0.55012063467416 15.999 > 77 78 O 0.61219572475326 0.45902866540867 0.55012063467416 15.999 > 77 79 O 0.45048855898704 0.76713579212174 0.42886344647668 15.999 > 79 80 O 0.95048855898704 0.76713579212174 0.42886344647668 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3376271 0.0000000 -0.4915009 0.0000000 7.3566390 0.0000000 -0.4915019 0.0000000 6.0864291 -------------------------- Born effective charges -------------------------- 1 Ag 1.4497311 -0.1050929 0.0794564 0.1301954 1.2367202 -0.0148931 0.0824701 -0.1848365 1.4132959 2 Ag 1.6450528 -0.1015574 0.2371272 -0.1274105 1.3151116 -0.0718375 0.1298286 0.0107607 1.2123876 3 Ag 1.4497311 0.1050929 0.0794564 -0.1301954 1.2367202 0.0148931 0.0824701 0.1848365 1.4132959 4 Ag 1.6450528 0.1015574 0.2371272 0.1274105 1.3151116 0.0718375 0.1298286 -0.0107607 1.2123876 5 Ag 1.4497311 0.1050929 0.0794564 -0.1301954 1.2367202 0.0148931 0.0824701 0.1848365 1.4132959 6 Ag 1.6450528 -0.1015574 0.2371272 -0.1274105 1.3151116 -0.0718375 0.1298286 0.0107607 1.2123876 7 Ag 1.6450528 0.1015574 0.2371272 0.1274105 1.3151116 0.0718375 0.1298286 -0.0107607 1.2123876 8 Ag 1.4497311 -0.1050929 0.0794564 0.1301954 1.2367202 -0.0148931 0.0824701 -0.1848365 1.4132959 9 Te 4.5340430 0.2957225 -1.1109976 -0.0494297 5.9540158 0.6596466 -0.4594880 0.0892751 5.8920470 10 Te 4.4003023 0.1374752 -1.2787339 0.2179226 6.3852590 0.0316418 -1.8357587 -0.2888420 4.6606064 11 Te 4.4003023 -0.1374752 -1.2787339 -0.2179226 6.3852590 -0.0316418 -1.8357587 0.2888420 4.6606064 12 Te 4.5340430 -0.2957225 -1.1109976 0.0494297 5.9540158 -0.6596466 -0.4594880 -0.0892751 5.8920470 13 Te 4.4003023 0.1374752 -1.2787339 0.2179226 6.3852590 0.0316418 -1.8357587 -0.2888420 4.6606064 14 Te 4.4003023 -0.1374752 -1.2787339 -0.2179226 6.3852590 -0.0316418 -1.8357587 0.2888420 4.6606064 15 Te 4.5340430 -0.2957225 -1.1109976 0.0494297 5.9540158 -0.6596466 -0.4594880 -0.0892751 5.8920470 16 Te 4.5340430 0.2957225 -1.1109976 -0.0494297 5.9540158 0.6596466 -0.4594880 0.0892751 5.8920470 17 O -1.9943614 0.5318770 0.4238550 0.4384331 -1.9780845 -0.9040722 0.1005669 -0.6571821 -2.7266963 18 O -2.7692735 0.5547340 1.4176339 1.0662204 -1.5992567 -0.5071203 1.5770057 -0.2219911 -2.6011494 19 O -1.8534019 -0.3649817 -0.0001248 -0.3339986 -2.9130122 -0.0726346 0.1066883 0.1517525 -1.7710802 20 O -1.8534019 0.3649817 -0.0001248 0.3339986 -2.9130122 0.0726346 0.1066883 -0.1517525 -1.7710802 21 O -1.5891771 -0.5634044 0.4100952 -0.8423522 -2.9813589 1.1673186 0.7104457 1.0962790 -2.6180089 22 O -2.7692735 0.5547340 1.4176339 1.0662204 -1.5992567 -0.5071203 1.5770057 -0.2219911 -2.6011494 23 O -2.1348168 0.0293631 -0.1850722 -0.1810149 -1.4676697 -0.2993593 -0.2066057 -0.1196366 -1.8162810 24 O -1.5891771 0.5634044 0.4100952 0.8423522 -2.9813589 -1.1673186 0.7104457 -1.0962790 -2.6180089 25 O -1.6880984 0.1046170 0.0067609 -0.2371371 -3.9517246 -0.8560215 -0.2051529 -0.7642783 -1.6451212 26 O -1.5891771 0.5634044 0.4100952 0.8423522 -2.9813589 -1.1673186 0.7104457 -1.0962790 -2.6180089 27 O -1.6880984 -0.1046170 0.0067609 0.2371371 -3.9517246 0.8560215 -0.2051529 0.7642783 -1.6451212 28 O -1.9943614 -0.5318770 0.4238550 -0.4384331 -1.9780845 0.9040722 0.1005669 0.6571821 -2.7266963 29 O -1.9943614 0.5318770 0.4238550 0.4384331 -1.9780845 -0.9040722 0.1005669 -0.6571821 -2.7266963 30 O -1.6880984 0.1046170 0.0067609 -0.2371371 -3.9517246 -0.8560215 -0.2051529 -0.7642783 -1.6451212 31 O -2.1348168 -0.0293631 -0.1850722 0.1810149 -1.4676697 0.2993593 -0.2066057 0.1196366 -1.8162810 32 O -1.8534019 0.3649817 -0.0001248 0.3339986 -2.9130122 0.0726346 0.1066883 -0.1517525 -1.7710802 33 O -1.9943614 -0.5318770 0.4238550 -0.4384331 -1.9780845 0.9040722 0.1005669 0.6571821 -2.7266963 34 O -2.1348168 0.0293631 -0.1850722 -0.1810149 -1.4676697 -0.2993593 -0.2066057 -0.1196366 -1.8162810 35 O -2.7692735 -0.5547340 1.4176339 -1.0662204 -1.5992567 0.5071203 1.5770057 0.2219911 -2.6011494 36 O -1.5891771 -0.5634044 0.4100952 -0.8423522 -2.9813589 1.1673186 0.7104457 1.0962790 -2.6180089 37 O -2.7692735 -0.5547340 1.4176339 -1.0662204 -1.5992567 0.5071203 1.5770057 0.2219911 -2.6011494 38 O -2.1348168 -0.0293631 -0.1850722 0.1810149 -1.4676697 0.2993593 -0.2066057 0.1196366 -1.8162810 39 O -1.8534019 -0.3649817 -0.0001248 -0.3339986 -2.9130122 -0.0726346 0.1066883 0.1517525 -1.7710802 40 O -1.6880984 -0.1046170 0.0067609 0.2371371 -3.9517246 0.8560215 -0.2051529 0.7642783 -1.6451212 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 3, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 19, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 35, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 37, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 45, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:22:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:23:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.991785926068466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): 1 Ag 0.56241724556584 0.32786331971658 0.71306319430050 107.868 2 Ag 0.40039484481847 0.35648645252637 0.96369905285342 107.868 3 Ag 0.56241724556584 0.17213668028342 0.21306319430050 107.868 4 Ag 0.59960515518153 0.85648645252637 0.53630094714658 107.868 5 Ag 0.43758275443416 0.82786331971658 0.78693680569950 107.868 6 Ag 0.59960515518153 0.64351354747363 0.03630094714658 107.868 7 Ag 0.40039484481847 0.14351354747363 0.46369905285342 107.868 8 Ag 0.43758275443416 0.67213668028342 0.28693680569950 107.868 9 Te 0.89954508699046 0.37370317270523 0.49872515818301 127.600 10 Te 0.92240806787650 0.92932314734689 0.31386099165104 127.600 11 Te 0.07759193212350 0.42932314734689 0.18613900834896 127.600 12 Te 0.10045491300954 0.87370317270523 0.00127484181699 127.600 13 Te 0.07759193212350 0.07067685265311 0.68613900834896 127.600 14 Te 0.92240806787650 0.57067685265311 0.81386099165104 127.600 15 Te 0.89954508699046 0.12629682729477 0.99872515818301 127.600 16 Te 0.10045491300954 0.62629682729477 0.50127484181699 127.600 17 O 0.77107254528511 0.03117820545950 0.47242331092858 15.999 18 O 0.16664062511326 0.85905829661502 0.24262742544460 15.999 19 O 0.77560855049349 0.54097133459133 0.44987936532584 15.999 20 O 0.77560855049349 0.95902866540867 0.94987936532584 15.999 21 O 0.02074666950821 0.90323849126588 0.76243896362817 15.999 22 O 0.83335937488674 0.14094170338498 0.75737257455540 15.999 23 O 0.43008047117282 0.68637315755746 0.57369536529934 15.999 24 O 0.02074666950821 0.59676150873412 0.26243896362817 15.999 25 O 0.09902288202593 0.26713579212174 0.07113655352332 15.999 26 O 0.97925333049179 0.40323849126588 0.73756103637183 15.999 27 O 0.09902288202593 0.23286420787826 0.57113655352332 15.999 28 O 0.22892745471489 0.53117820545950 0.02757668907142 15.999 29 O 0.22892745471489 0.96882179454050 0.52757668907142 15.999 30 O 0.90097711797407 0.73286420787826 0.92886344647668 15.999 31 O 0.43008047117282 0.81362684244254 0.07369536529934 15.999 32 O 0.22439144950651 0.04097133459133 0.05012063467416 15.999 33 O 0.77107254528511 0.46882179454050 0.97242331092858 15.999 34 O 0.56991952882718 0.31362684244254 0.42630463470066 15.999 35 O 0.83335937488674 0.35905829661502 0.25737257455540 15.999 36 O 0.97925333049179 0.09676150873412 0.23756103637183 15.999 37 O 0.16664062511326 0.64094170338498 0.74262742544460 15.999 38 O 0.56991952882718 0.18637315755746 0.92630463470066 15.999 39 O 0.22439144950651 0.45902866540867 0.55012063467416 15.999 40 O 0.90097711797407 0.76713579212174 0.42886344647668 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.983571852136931 0.000000000000000 0.000000000000000 b 0.000000000000000 11.495979879999998 0.000000000000000 c -4.435708931044574 0.000000000000000 7.740785551597466 Atomic positions (fractional): 1 Ag 0.28120862278292 0.32786331971658 0.71306319430050 107.868 > 1 2 Ag 0.78120862278292 0.32786331971658 0.71306319430050 107.868 > 1 3 Ag 0.20019742240923 0.35648645252637 0.96369905285342 107.868 > 3 4 Ag 0.70019742240923 0.35648645252637 0.96369905285342 107.868 > 3 5 Ag 0.28120862278292 0.17213668028342 0.21306319430050 107.868 > 5 6 Ag 0.78120862278292 0.17213668028342 0.21306319430050 107.868 > 5 7 Ag 0.29980257759077 0.85648645252637 0.53630094714658 107.868 > 7 8 Ag 0.79980257759077 0.85648645252637 0.53630094714658 107.868 > 7 9 Ag 0.21879137721708 0.82786331971658 0.78693680569950 107.868 > 9 10 Ag 0.71879137721708 0.82786331971658 0.78693680569950 107.868 > 9 11 Ag 0.29980257759077 0.64351354747363 0.03630094714658 107.868 > 11 12 Ag 0.79980257759077 0.64351354747363 0.03630094714658 107.868 > 11 13 Ag 0.20019742240923 0.14351354747363 0.46369905285342 107.868 > 13 14 Ag 0.70019742240923 0.14351354747363 0.46369905285342 107.868 > 13 15 Ag 0.21879137721708 0.67213668028342 0.28693680569950 107.868 > 15 16 Ag 0.71879137721708 0.67213668028342 0.28693680569950 107.868 > 15 17 Te 0.44977254349523 0.37370317270523 0.49872515818301 127.600 > 17 18 Te 0.94977254349523 0.37370317270523 0.49872515818301 127.600 > 17 19 Te 0.46120403393825 0.92932314734689 0.31386099165104 127.600 > 19 20 Te 0.96120403393825 0.92932314734689 0.31386099165104 127.600 > 19 21 Te 0.03879596606175 0.42932314734689 0.18613900834896 127.600 > 21 22 Te 0.53879596606175 0.42932314734689 0.18613900834896 127.600 > 21 23 Te 0.05022745650477 0.87370317270523 0.00127484181699 127.600 > 23 24 Te 0.55022745650477 0.87370317270523 0.00127484181699 127.600 > 23 25 Te 0.03879596606175 0.07067685265311 0.68613900834896 127.600 > 25 26 Te 0.53879596606175 0.07067685265311 0.68613900834896 127.600 > 25 27 Te 0.46120403393825 0.57067685265311 0.81386099165104 127.600 > 27 28 Te 0.96120403393825 0.57067685265311 0.81386099165104 127.600 > 27 29 Te 0.44977254349523 0.12629682729477 0.99872515818301 127.600 > 29 30 Te 0.94977254349523 0.12629682729477 0.99872515818301 127.600 > 29 31 Te 0.05022745650477 0.62629682729477 0.50127484181699 127.600 > 31 32 Te 0.55022745650477 0.62629682729477 0.50127484181699 127.600 > 31 33 O 0.38553627264256 0.03117820545950 0.47242331092858 15.999 > 33 34 O 0.88553627264256 0.03117820545950 0.47242331092858 15.999 > 33 35 O 0.08332031255663 0.85905829661502 0.24262742544460 15.999 > 35 36 O 0.58332031255663 0.85905829661502 0.24262742544460 15.999 > 35 37 O 0.38780427524674 0.54097133459133 0.44987936532584 15.999 > 37 38 O 0.88780427524674 0.54097133459133 0.44987936532584 15.999 > 37 39 O 0.38780427524674 0.95902866540867 0.94987936532584 15.999 > 39 40 O 0.88780427524674 0.95902866540867 0.94987936532584 15.999 > 39 41 O 0.01037333475410 0.90323849126588 0.76243896362817 15.999 > 41 42 O 0.51037333475410 0.90323849126588 0.76243896362817 15.999 > 41 43 O 0.41667968744337 0.14094170338498 0.75737257455540 15.999 > 43 44 O 0.91667968744337 0.14094170338498 0.75737257455540 15.999 > 43 45 O 0.21504023558641 0.68637315755746 0.57369536529934 15.999 > 45 46 O 0.71504023558641 0.68637315755746 0.57369536529934 15.999 > 45 47 O 0.01037333475410 0.59676150873412 0.26243896362817 15.999 > 47 48 O 0.51037333475410 0.59676150873412 0.26243896362817 15.999 > 47 49 O 0.04951144101296 0.26713579212174 0.07113655352332 15.999 > 49 50 O 0.54951144101296 0.26713579212174 0.07113655352332 15.999 > 49 51 O 0.48962666524590 0.40323849126588 0.73756103637183 15.999 > 51 52 O 0.98962666524590 0.40323849126588 0.73756103637183 15.999 > 51 53 O 0.04951144101296 0.23286420787826 0.57113655352332 15.999 > 53 54 O 0.54951144101296 0.23286420787826 0.57113655352332 15.999 > 53 55 O 0.11446372735745 0.53117820545950 0.02757668907142 15.999 > 55 56 O 0.61446372735745 0.53117820545950 0.02757668907142 15.999 > 55 57 O 0.11446372735745 0.96882179454050 0.52757668907142 15.999 > 57 58 O 0.61446372735745 0.96882179454050 0.52757668907142 15.999 > 57 59 O 0.45048855898704 0.73286420787826 0.92886344647668 15.999 > 59 60 O 0.95048855898704 0.73286420787826 0.92886344647668 15.999 > 59 61 O 0.21504023558641 0.81362684244254 0.07369536529934 15.999 > 61 62 O 0.71504023558641 0.81362684244254 0.07369536529934 15.999 > 61 63 O 0.11219572475326 0.04097133459133 0.05012063467416 15.999 > 63 64 O 0.61219572475326 0.04097133459133 0.05012063467416 15.999 > 63 65 O 0.38553627264256 0.46882179454050 0.97242331092858 15.999 > 65 66 O 0.88553627264256 0.46882179454050 0.97242331092858 15.999 > 65 67 O 0.28495976441359 0.31362684244254 0.42630463470066 15.999 > 67 68 O 0.78495976441359 0.31362684244254 0.42630463470066 15.999 > 67 69 O 0.41667968744337 0.35905829661502 0.25737257455540 15.999 > 69 70 O 0.91667968744337 0.35905829661502 0.25737257455540 15.999 > 69 71 O 0.48962666524590 0.09676150873412 0.23756103637183 15.999 > 71 72 O 0.98962666524590 0.09676150873412 0.23756103637183 15.999 > 71 73 O 0.08332031255663 0.64094170338498 0.74262742544460 15.999 > 73 74 O 0.58332031255663 0.64094170338498 0.74262742544460 15.999 > 73 75 O 0.28495976441359 0.18637315755746 0.92630463470066 15.999 > 75 76 O 0.78495976441359 0.18637315755746 0.92630463470066 15.999 > 75 77 O 0.11219572475326 0.45902866540867 0.55012063467416 15.999 > 77 78 O 0.61219572475326 0.45902866540867 0.55012063467416 15.999 > 77 79 O 0.45048855898704 0.76713579212174 0.42886344647668 15.999 > 79 80 O 0.95048855898704 0.76713579212174 0.42886344647668 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3376271 0.0000000 -0.4915009 0.0000000 7.3566390 0.0000000 -0.4915019 0.0000000 6.0864291 -------------------------- Born effective charges -------------------------- 1 Ag 1.4497311 -0.1050929 0.0794564 0.1301954 1.2367202 -0.0148931 0.0824701 -0.1848365 1.4132959 2 Ag 1.6450528 -0.1015574 0.2371272 -0.1274105 1.3151116 -0.0718375 0.1298286 0.0107607 1.2123876 3 Ag 1.4497311 0.1050929 0.0794564 -0.1301954 1.2367202 0.0148931 0.0824701 0.1848365 1.4132959 4 Ag 1.6450528 0.1015574 0.2371272 0.1274105 1.3151116 0.0718375 0.1298286 -0.0107607 1.2123876 5 Ag 1.4497311 0.1050929 0.0794564 -0.1301954 1.2367202 0.0148931 0.0824701 0.1848365 1.4132959 6 Ag 1.6450528 -0.1015574 0.2371272 -0.1274105 1.3151116 -0.0718375 0.1298286 0.0107607 1.2123876 7 Ag 1.6450528 0.1015574 0.2371272 0.1274105 1.3151116 0.0718375 0.1298286 -0.0107607 1.2123876 8 Ag 1.4497311 -0.1050929 0.0794564 0.1301954 1.2367202 -0.0148931 0.0824701 -0.1848365 1.4132959 9 Te 4.5340430 0.2957225 -1.1109976 -0.0494297 5.9540158 0.6596466 -0.4594880 0.0892751 5.8920470 10 Te 4.4003023 0.1374752 -1.2787339 0.2179226 6.3852590 0.0316418 -1.8357587 -0.2888420 4.6606064 11 Te 4.4003023 -0.1374752 -1.2787339 -0.2179226 6.3852590 -0.0316418 -1.8357587 0.2888420 4.6606064 12 Te 4.5340430 -0.2957225 -1.1109976 0.0494297 5.9540158 -0.6596466 -0.4594880 -0.0892751 5.8920470 13 Te 4.4003023 0.1374752 -1.2787339 0.2179226 6.3852590 0.0316418 -1.8357587 -0.2888420 4.6606064 14 Te 4.4003023 -0.1374752 -1.2787339 -0.2179226 6.3852590 -0.0316418 -1.8357587 0.2888420 4.6606064 15 Te 4.5340430 -0.2957225 -1.1109976 0.0494297 5.9540158 -0.6596466 -0.4594880 -0.0892751 5.8920470 16 Te 4.5340430 0.2957225 -1.1109976 -0.0494297 5.9540158 0.6596466 -0.4594880 0.0892751 5.8920470 17 O -1.9943614 0.5318770 0.4238550 0.4384331 -1.9780845 -0.9040722 0.1005669 -0.6571821 -2.7266963 18 O -2.7692735 0.5547340 1.4176339 1.0662204 -1.5992567 -0.5071203 1.5770057 -0.2219911 -2.6011494 19 O -1.8534019 -0.3649817 -0.0001248 -0.3339986 -2.9130122 -0.0726346 0.1066883 0.1517525 -1.7710802 20 O -1.8534019 0.3649817 -0.0001248 0.3339986 -2.9130122 0.0726346 0.1066883 -0.1517525 -1.7710802 21 O -1.5891771 -0.5634044 0.4100952 -0.8423522 -2.9813589 1.1673186 0.7104457 1.0962790 -2.6180089 22 O -2.7692735 0.5547340 1.4176339 1.0662204 -1.5992567 -0.5071203 1.5770057 -0.2219911 -2.6011494 23 O -2.1348168 0.0293631 -0.1850722 -0.1810149 -1.4676697 -0.2993593 -0.2066057 -0.1196366 -1.8162810 24 O -1.5891771 0.5634044 0.4100952 0.8423522 -2.9813589 -1.1673186 0.7104457 -1.0962790 -2.6180089 25 O -1.6880984 0.1046170 0.0067609 -0.2371371 -3.9517246 -0.8560215 -0.2051529 -0.7642783 -1.6451212 26 O -1.5891771 0.5634044 0.4100952 0.8423522 -2.9813589 -1.1673186 0.7104457 -1.0962790 -2.6180089 27 O -1.6880984 -0.1046170 0.0067609 0.2371371 -3.9517246 0.8560215 -0.2051529 0.7642783 -1.6451212 28 O -1.9943614 -0.5318770 0.4238550 -0.4384331 -1.9780845 0.9040722 0.1005669 0.6571821 -2.7266963 29 O -1.9943614 0.5318770 0.4238550 0.4384331 -1.9780845 -0.9040722 0.1005669 -0.6571821 -2.7266963 30 O -1.6880984 0.1046170 0.0067609 -0.2371371 -3.9517246 -0.8560215 -0.2051529 -0.7642783 -1.6451212 31 O -2.1348168 -0.0293631 -0.1850722 0.1810149 -1.4676697 0.2993593 -0.2066057 0.1196366 -1.8162810 32 O -1.8534019 0.3649817 -0.0001248 0.3339986 -2.9130122 0.0726346 0.1066883 -0.1517525 -1.7710802 33 O -1.9943614 -0.5318770 0.4238550 -0.4384331 -1.9780845 0.9040722 0.1005669 0.6571821 -2.7266963 34 O -2.1348168 0.0293631 -0.1850722 -0.1810149 -1.4676697 -0.2993593 -0.2066057 -0.1196366 -1.8162810 35 O -2.7692735 -0.5547340 1.4176339 -1.0662204 -1.5992567 0.5071203 1.5770057 0.2219911 -2.6011494 36 O -1.5891771 -0.5634044 0.4100952 -0.8423522 -2.9813589 1.1673186 0.7104457 1.0962790 -2.6180089 37 O -2.7692735 -0.5547340 1.4176339 -1.0662204 -1.5992567 0.5071203 1.5770057 0.2219911 -2.6011494 38 O -2.1348168 -0.0293631 -0.1850722 0.1810149 -1.4676697 0.2993593 -0.2066057 0.1196366 -1.8162810 39 O -1.8534019 -0.3649817 -0.0001248 -0.3339986 -2.9130122 -0.0726346 0.1066883 0.1517525 -1.7710802 40 O -1.6880984 -0.1046170 0.0067609 0.2371371 -3.9517246 0.8560215 -0.2051529 0.7642783 -1.6451212 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 289, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 0.792 ( 0.000 0.000 0.000) 0.000 0.982 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 0.000) 0.000 10.857 ( 0.000 0.000 0.000) 0.000 11.012 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.600 ( 0.000 0.000 0.000) 0.000 13.614 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 14.882 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.194 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 17.241 ( 0.000 0.000 0.000) 0.000 17.737 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 18.028 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 18.212 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 19.341 ( 0.000 0.000 0.000) 0.000 19.358 ( 0.000 0.000 0.000) 0.000 19.458 ( 0.000 0.000 0.000) 0.000 20.045 ( 0.000 0.000 0.000) 0.000 20.149 ( 0.000 0.000 0.000) 0.000 20.229 ( 0.000 0.000 0.000) 0.000 20.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 0.495 0.000 21.445) 21.451 0.261 ( 20.773 0.000 -8.655) 22.504 0.672 ( 23.848 0.000 15.457) 28.420 0.826 ( 8.174 0.000 1.919) 8.397 1.030 ( 6.111 0.000 -1.090) 6.208 1.052 ( -0.381 0.000 -2.022) 2.058 1.531 ( 0.415 0.000 -6.919) 6.932 1.558 ( 2.860 0.000 2.209) 3.614 1.646 ( 1.015 0.000 -0.854) 1.327 1.770 ( -1.359 0.000 0.373) 1.409 1.862 ( -5.382 0.000 -1.393) 5.559 1.941 ( -6.126 0.000 3.867) 7.244 1.947 ( -4.451 0.000 -0.706) 4.507 2.162 ( 1.936 0.000 -6.037) 6.340 2.226 ( 3.136 0.000 3.125) 4.427 2.286 ( 3.117 0.000 -8.335) 8.899 2.306 ( -2.084 0.000 6.967) 7.272 2.373 ( -2.182 0.000 -4.270) 4.795 2.498 ( -1.011 0.000 2.647) 2.833 2.562 ( -1.755 0.000 1.225) 2.140 2.610 ( 0.702 0.000 -6.090) 6.130 2.670 ( -1.470 0.000 3.600) 3.888 2.718 ( 3.029 0.000 -0.044) 3.029 2.824 ( -2.845 0.000 3.357) 4.400 2.832 ( -6.130 0.000 4.087) 7.368 2.943 ( -0.506 0.000 -1.538) 1.619 3.061 ( 3.470 0.000 0.234) 3.477 3.126 ( -3.980 0.000 0.702) 4.041 3.192 ( 1.219 0.000 -1.288) 1.773 3.237 ( 3.564 0.000 0.180) 3.569 3.332 ( -4.707 0.000 -2.424) 5.295 3.613 ( 2.587 0.000 -0.233) 2.597 3.667 ( 14.813 0.000 -23.765) 28.004 3.705 ( -1.910 0.000 0.097) 1.912 3.781 ( -3.936 0.000 5.379) 6.665 3.781 ( 3.387 0.000 -0.004) 3.387 4.055 ( -1.913 0.000 -0.509) 1.980 4.489 ( -2.288 0.000 2.109) 3.111 4.526 ( -10.656 0.000 15.358) 18.693 4.645 ( -5.973 0.000 -0.204) 5.977 4.739 ( -6.738 0.000 14.973) 16.419 4.885 ( 0.105 0.000 -0.618) 0.627 4.954 ( 8.159 0.000 -4.031) 9.101 4.990 ( 4.182 0.000 2.827) 5.047 5.138 ( -2.388 0.000 4.979) 5.522 5.151 ( 3.264 0.000 -4.091) 5.233 5.527 ( 0.883 0.000 -2.157) 2.331 5.553 ( 1.460 0.000 -1.600) 2.166 5.618 ( -1.795 0.000 -0.207) 1.807 5.671 ( 2.134 0.000 -2.290) 3.131 5.782 ( 2.640 0.000 -7.687) 8.128 6.034 ( 1.050 0.000 -1.387) 1.740 6.293 ( 0.393 0.000 -0.337) 0.518 6.352 ( -0.017 0.000 -4.448) 4.448 6.464 ( 2.894 0.000 -1.393) 3.212 6.921 ( 1.035 0.000 0.908) 1.377 6.966 ( -2.907 0.000 1.635) 3.335 7.019 ( -2.976 0.000 1.385) 3.283 7.174 ( -4.277 0.000 4.665) 6.329 7.345 ( 4.636 0.000 -13.926) 14.678 7.455 ( 7.095 0.000 -9.883) 12.167 7.521 ( 5.973 0.000 -4.973) 7.772 7.561 ( -2.920 0.000 0.308) 2.936 7.694 ( 1.322 0.000 -0.908) 1.604 8.030 ( 1.561 0.000 -7.171) 7.339 8.039 ( 0.147 0.000 -0.948) 0.960 8.146 ( -0.623 0.000 6.729) 6.758 8.217 ( -0.674 0.000 0.159) 0.692 8.545 ( -1.422 0.000 -2.115) 2.549 8.582 ( -0.786 0.000 -1.115) 1.364 8.643 ( 1.064 0.000 2.178) 2.424 8.932 ( 3.657 0.000 -7.042) 7.935 9.253 ( -1.273 0.000 1.477) 1.950 9.284 ( 4.594 0.000 -8.964) 10.073 9.480 ( -2.126 0.000 2.988) 3.667 9.705 ( 11.342 0.000 -14.243) 18.208 9.870 ( 1.493 0.000 -5.762) 5.952 9.949 ( -1.174 0.000 0.387) 1.236 10.132 ( -0.438 0.000 1.331) 1.401 10.158 ( -0.395 0.000 3.260) 3.284 10.834 ( -1.332 0.000 -1.999) 2.402 11.026 ( 1.587 0.000 0.166) 1.596 11.343 ( 1.056 0.000 4.837) 4.951 11.427 ( -1.121 0.000 5.046) 5.169 11.488 ( 1.121 0.000 1.382) 1.779 11.872 ( 0.049 0.000 0.042) 0.064 12.729 ( 1.824 0.000 1.322) 2.253 12.992 ( 1.269 0.000 -4.329) 4.512 13.579 ( -1.231 0.000 0.923) 1.538 13.597 ( -0.755 0.000 0.619) 0.976 13.685 ( -0.028 0.000 -6.850) 6.850 13.823 ( -0.834 0.000 -0.241) 0.868 14.586 ( 1.432 0.000 1.246) 1.898 14.775 ( 1.419 0.000 0.454) 1.490 14.790 ( 0.314 0.000 -0.020) 0.315 14.863 ( -1.608 0.000 -0.758) 1.778 15.293 ( 3.010 0.000 0.465) 3.046 15.761 ( 16.172 0.000 -35.070) 38.619 15.815 ( 0.446 0.000 -0.851) 0.961 15.986 ( 0.847 0.000 -0.227) 0.877 16.079 ( -29.374 0.000 48.030) 56.300 16.189 ( 0.816 0.000 -2.266) 2.408 16.272 ( 0.404 0.000 0.318) 0.515 16.513 ( 1.621 0.000 -1.750) 2.385 17.048 ( -0.719 0.000 -1.023) 1.250 17.132 ( -0.371 0.000 0.683) 0.778 17.246 ( 0.204 0.000 0.316) 0.376 17.749 ( 0.057 0.000 1.846) 1.847 17.790 ( -1.402 0.000 1.031) 1.740 18.018 ( -4.068 0.000 5.442) 6.795 18.145 ( 3.156 0.000 0.746) 3.243 18.281 ( -8.255 0.000 -1.356) 8.366 19.009 ( 3.504 0.000 5.174) 6.249 19.295 ( -4.813 0.000 -1.335) 4.995 19.509 ( 3.686 0.000 1.018) 3.824 19.817 ( 0.906 0.000 -6.988) 7.047 20.162 ( -3.282 0.000 -4.802) 5.817 20.183 ( 1.848 0.000 3.006) 3.529 20.309 ( 0.175 0.000 2.182) 2.189 20.507 ( 1.598 0.000 -1.465) 2.168 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -1.264 0.000 17.386) 17.431 0.519 ( 17.291 0.000 -4.778) 17.939 0.826 ( 5.765 0.000 -3.107) 6.549 1.028 ( -0.646 0.000 -0.194) 0.674 1.146 ( 6.503 0.000 1.173) 6.608 1.311 ( 19.406 0.000 10.760) 22.189 1.471 ( 2.070 0.000 -8.779) 9.019 1.639 ( -0.737 0.000 -2.940) 3.031 1.652 ( 7.173 0.000 3.138) 7.829 1.748 ( -6.113 0.000 -0.924) 6.183 1.765 ( 0.185 0.000 2.134) 2.142 1.861 ( -2.931 0.000 -0.576) 2.987 1.891 ( -1.694 0.000 1.381) 2.186 2.129 ( 0.565 0.000 -7.453) 7.474 2.217 ( -4.312 0.000 4.323) 6.106 2.288 ( 2.190 0.000 -3.144) 3.831 2.304 ( -2.387 0.000 -2.055) 3.150 2.389 ( 5.683 0.000 1.219) 5.812 2.474 ( -3.966 0.000 2.332) 4.601 2.501 ( -4.343 0.000 -1.825) 4.711 2.597 ( 3.716 0.000 -5.372) 6.532 2.635 ( -4.280 0.000 -1.015) 4.399 2.724 ( -0.409 0.000 -1.192) 1.261 2.778 ( -5.340 0.000 6.169) 8.160 2.868 ( -1.592 0.000 9.605) 9.736 2.934 ( 0.130 0.000 -0.843) 0.853 3.073 ( -3.842 0.000 2.380) 4.520 3.105 ( 4.654 0.000 -4.609) 6.550 3.205 ( 1.877 0.000 -1.437) 2.364 3.280 ( -0.994 0.000 4.116) 4.234 3.290 ( 2.317 0.000 -0.407) 2.352 3.567 ( -2.367 0.000 -7.773) 8.126 3.654 ( -4.252 0.000 1.488) 4.505 3.700 ( 2.060 0.000 -2.293) 3.082 3.802 ( 3.205 0.000 0.415) 3.231 3.843 ( 3.781 0.000 -1.079) 3.932 4.000 ( -2.986 0.000 -1.929) 3.555 4.454 ( -6.636 0.000 6.030) 8.967 4.504 ( -3.387 0.000 5.254) 6.251 4.571 ( -2.613 0.000 0.448) 2.651 4.792 ( -0.546 0.000 8.461) 8.479 4.881 ( 0.256 0.000 -0.431) 0.501 5.037 ( 6.935 0.000 -5.948) 9.136 5.070 ( 1.560 0.000 1.695) 2.304 5.161 ( 3.642 0.000 -6.186) 7.179 5.183 ( 0.386 0.000 9.342) 9.350 5.522 ( 3.581 0.000 -6.473) 7.398 5.565 ( 0.145 0.000 1.495) 1.502 5.568 ( -3.183 0.000 -1.304) 3.439 5.682 ( 2.607 0.000 -4.170) 4.918 5.754 ( -0.270 0.000 -1.717) 1.739 6.036 ( 1.287 0.000 -2.343) 2.673 6.293 ( -0.194 0.000 -7.196) 7.198 6.299 ( 0.877 0.000 -0.621) 1.074 6.496 ( 3.047 0.000 -3.321) 4.507 6.929 ( -3.132 0.000 1.733) 3.580 6.955 ( 0.806 0.000 0.400) 0.900 6.969 ( -3.747 0.000 2.142) 4.316 7.147 ( -4.219 0.000 4.886) 6.455 7.296 ( 1.642 0.000 -7.032) 7.221 7.460 ( -0.267 0.000 -0.871) 0.911 7.467 ( -6.197 0.000 0.685) 6.235 7.617 ( 8.466 0.000 -4.670) 9.668 7.705 ( 0.444 0.000 -0.162) 0.473 8.008 ( 3.879 0.000 -6.714) 7.754 8.032 ( -0.131 0.000 -0.680) 0.693 8.187 ( -1.839 0.000 5.973) 6.249 8.199 ( -1.127 0.000 -0.747) 1.352 8.509 ( -0.661 0.000 -1.521) 1.659 8.557 ( -0.282 0.000 -1.712) 1.735 8.670 ( -0.053 0.000 1.362) 1.363 8.920 ( 0.801 0.000 -3.263) 3.360 9.244 ( -1.890 0.000 2.486) 3.123 9.265 ( 1.055 0.000 -5.029) 5.139 9.490 ( -0.438 0.000 3.735) 3.761 9.762 ( 6.956 0.000 -6.271) 9.365 9.825 ( 0.615 0.000 -7.445) 7.471 9.931 ( -0.517 0.000 -0.935) 1.068 10.139 ( -0.805 0.000 2.225) 2.366 10.192 ( -0.352 0.000 5.048) 5.060 10.787 ( -1.712 0.000 -1.931) 2.580 11.066 ( 2.740 0.000 0.588) 2.802 11.424 ( 2.287 0.000 5.399) 5.864 11.469 ( 0.968 0.000 3.973) 4.089 11.534 ( 1.347 0.000 3.844) 4.073 11.873 ( -0.094 0.000 0.086) 0.127 12.787 ( 2.815 0.000 2.250) 3.603 12.962 ( -0.222 0.000 -3.689) 3.695 13.560 ( -3.622 0.000 3.291) 4.894 13.588 ( -1.244 0.000 1.176) 1.712 13.604 ( -0.673 0.000 -7.584) 7.614 13.806 ( -0.728 0.000 -0.504) 0.886 14.628 ( 1.697 0.000 1.630) 2.353 14.792 ( -0.031 0.000 -0.337) 0.339 14.813 ( 2.512 0.000 0.294) 2.529 14.824 ( -1.593 0.000 -1.211) 2.001 15.355 ( 3.614 0.000 0.142) 3.617 15.671 ( 3.208 0.000 -16.956) 17.257 15.814 ( 0.022 0.000 -0.240) 0.241 16.009 ( 1.903 0.000 0.560) 1.983 16.049 ( -12.558 0.000 19.431) 23.136 16.183 ( 1.754 0.000 -3.456) 3.875 16.279 ( 0.154 0.000 0.034) 0.158 16.525 ( 2.332 0.000 -2.920) 3.737 17.025 ( -1.374 0.000 0.325) 1.412 17.136 ( -0.208 0.000 1.188) 1.206 17.245 ( -0.378 0.000 -0.649) 0.751 17.760 ( -0.831 0.000 1.158) 1.426 17.769 ( -2.624 0.000 1.746) 3.152 18.005 ( -5.547 0.000 8.953) 10.532 18.104 ( -7.555 0.000 -6.402) 9.903 18.219 ( 3.634 0.000 2.099) 4.196 19.137 ( 4.536 0.000 6.485) 7.914 19.202 ( -5.086 0.000 -0.130) 5.088 19.573 ( 2.940 0.000 -0.309) 2.956 19.754 ( -1.358 0.000 -4.861) 5.047 20.054 ( -3.576 0.000 -4.520) 5.764 20.253 ( 2.115 0.000 4.097) 4.611 20.319 ( -0.508 0.000 0.874) 1.011 20.523 ( 0.945 0.000 0.277) 0.985 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.542 0.000 12.096) 12.108 0.718 ( 10.003 0.000 -2.313) 10.267 0.901 ( 6.201 0.000 -3.606) 7.173 1.050 ( 3.650 0.000 1.044) 3.796 1.213 ( -0.381 0.000 0.675) 0.775 1.448 ( 0.002 0.000 -3.707) 3.707 1.462 ( 3.381 0.000 -4.405) 5.553 1.539 ( -4.276 0.000 -4.697) 6.352 1.680 ( -0.725 0.000 -1.823) 1.962 1.741 ( -4.467 0.000 2.270) 5.011 1.789 ( 4.452 0.000 -0.896) 4.541 1.925 ( 5.021 0.000 -1.190) 5.160 2.038 ( -3.532 0.000 -3.787) 5.179 2.072 ( 13.964 0.000 10.569) 17.513 2.219 ( 1.534 0.000 -0.242) 1.553 2.253 ( -1.812 0.000 0.013) 1.812 2.281 ( -1.348 0.000 0.284) 1.378 2.404 ( -3.978 0.000 -2.221) 4.556 2.471 ( 1.141 0.000 6.805) 6.900 2.486 ( 4.460 0.000 0.534) 4.492 2.540 ( -5.609 0.000 -0.810) 5.668 2.624 ( 5.146 0.000 -4.556) 6.873 2.690 ( -2.253 0.000 -1.042) 2.482 2.764 ( -3.937 0.000 5.746) 6.965 2.874 ( -2.800 0.000 1.069) 2.997 2.957 ( 1.837 0.000 2.307) 2.949 3.049 ( -2.123 0.000 3.241) 3.874 3.158 ( 4.930 0.000 -1.817) 5.254 3.224 ( 1.960 0.000 -1.583) 2.519 3.299 ( -0.260 0.000 -1.037) 1.069 3.341 ( 1.334 0.000 4.270) 4.474 3.435 ( -3.682 0.000 -7.988) 8.796 3.620 ( -3.797 0.000 6.481) 7.511 3.666 ( -5.790 0.000 2.697) 6.387 3.860 ( 0.054 0.000 -2.885) 2.885 3.875 ( 5.766 0.000 -1.867) 6.060 3.949 ( 0.413 0.000 -2.479) 2.513 4.385 ( -7.940 0.000 4.783) 9.269 4.515 ( -0.638 0.000 4.014) 4.065 4.567 ( 0.484 0.000 1.958) 2.017 4.850 ( 1.178 0.000 -0.126) 1.185 4.911 ( 1.880 0.000 4.812) 5.166 5.042 ( 0.723 0.000 -4.243) 4.305 5.123 ( 3.548 0.000 -0.356) 3.566 5.157 ( 3.109 0.000 -5.895) 6.664 5.291 ( 0.504 0.000 9.353) 9.367 5.489 ( -4.083 0.000 -2.578) 4.828 5.520 ( 4.503 0.000 -8.381) 9.514 5.587 ( -0.274 0.000 3.272) 3.284 5.677 ( 1.842 0.000 -4.408) 4.777 5.743 ( -0.480 0.000 0.820) 0.950 6.030 ( 0.754 0.000 -2.571) 2.679 6.215 ( -0.436 0.000 -7.590) 7.602 6.311 ( 1.264 0.000 -0.765) 1.477 6.495 ( 1.374 0.000 -4.283) 4.498 6.895 ( -4.891 0.000 1.282) 5.057 6.904 ( -1.980 0.000 2.244) 2.993 6.981 ( -0.252 0.000 -0.959) 0.991 7.138 ( -0.854 0.000 3.147) 3.260 7.265 ( 0.435 0.000 -3.270) 3.298 7.376 ( -5.848 0.000 2.322) 6.292 7.435 ( -1.929 0.000 -0.135) 1.934 7.708 ( -0.101 0.000 0.381) 0.394 7.715 ( 7.227 0.000 -2.757) 7.735 8.021 ( -1.010 0.000 0.596) 1.173 8.024 ( 4.264 0.000 -4.873) 6.476 8.164 ( -1.362 0.000 -2.215) 2.600 8.199 ( -2.605 0.000 4.632) 5.314 8.497 ( 0.650 0.000 -0.703) 0.957 8.546 ( 0.868 0.000 -1.648) 1.863 8.666 ( -1.237 0.000 0.166) 1.249 8.897 ( -0.511 0.000 -1.873) 1.942 9.228 ( -0.934 0.000 -2.530) 2.697 9.241 ( -1.519 0.000 3.020) 3.381 9.531 ( 1.247 0.000 2.780) 3.047 9.749 ( -1.253 0.000 -6.733) 6.849 9.810 ( 4.292 0.000 -3.390) 5.469 9.920 ( 0.833 0.000 -1.813) 1.995 10.146 ( -1.008 0.000 2.282) 2.494 10.236 ( -0.327 0.000 4.952) 4.962 10.749 ( -0.960 0.000 -1.026) 1.406 11.124 ( 2.981 0.000 1.026) 3.152 11.507 ( 2.816 0.000 2.400) 3.701 11.530 ( 1.958 0.000 3.210) 3.760 11.603 ( 0.783 0.000 6.461) 6.509 11.870 ( -0.371 0.000 0.108) 0.387 12.857 ( 2.703 0.000 2.410) 3.621 12.917 ( -1.013 0.000 -3.474) 3.618 13.503 ( -4.587 0.000 0.437) 4.608 13.553 ( 0.574 0.000 -3.570) 3.616 13.579 ( -1.268 0.000 1.348) 1.851 13.793 ( -0.070 0.000 -0.654) 0.657 14.668 ( 1.263 0.000 1.242) 1.771 14.777 ( -0.753 0.000 -1.340) 1.537 14.796 ( -0.626 0.000 -0.634) 0.890 14.857 ( 2.321 0.000 0.144) 2.325 15.405 ( 2.469 0.000 -0.616) 2.544 15.562 ( -0.607 0.000 -9.397) 9.416 15.812 ( -0.147 0.000 -0.005) 0.147 16.036 ( -5.584 0.000 9.285) 10.835 16.061 ( 2.391 0.000 2.433) 3.411 16.184 ( 2.809 0.000 -4.126) 4.991 16.276 ( -0.461 0.000 -0.063) 0.465 16.533 ( 2.019 0.000 -3.084) 3.686 17.012 ( -1.281 0.000 1.497) 1.970 17.146 ( 0.066 0.000 0.968) 0.970 17.220 ( -1.024 0.000 -1.931) 2.186 17.735 ( -2.593 0.000 -0.094) 2.595 17.739 ( -3.145 0.000 2.364) 3.934 17.929 ( -5.257 0.000 -7.029) 8.777 18.009 ( -4.398 0.000 9.163) 10.163 18.294 ( 2.588 0.000 2.349) 3.495 19.131 ( -3.998 0.000 1.511) 4.274 19.273 ( 4.386 0.000 6.189) 7.586 19.580 ( -0.468 0.000 -3.252) 3.285 19.681 ( -2.175 0.000 -4.186) 4.718 19.984 ( -0.708 0.000 -1.600) 1.750 20.314 ( -0.492 0.000 -0.023) 0.492 20.326 ( 1.922 0.000 4.135) 4.559 20.539 ( 0.378 0.000 0.405) 0.554 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.675 0.000 6.416) 6.451 0.814 ( 4.082 0.000 -1.435) 4.327 0.947 ( 2.184 0.000 -0.460) 2.232 1.154 ( 6.978 0.000 -1.134) 7.069 1.184 ( -2.142 0.000 0.371) 2.174 1.349 ( -4.247 0.000 -7.701) 8.794 1.386 ( -2.676 0.000 -2.317) 3.539 1.570 ( 2.820 0.000 3.758) 4.698 1.663 ( 0.904 0.000 -2.809) 2.951 1.692 ( -2.649 0.000 0.660) 2.730 1.863 ( 5.202 0.000 0.266) 5.209 1.942 ( -1.608 0.000 -2.559) 3.022 2.034 ( 6.232 0.000 -1.211) 6.348 2.105 ( -6.839 0.000 -0.640) 6.869 2.239 ( 0.182 0.000 -3.617) 3.621 2.253 ( -1.395 0.000 2.819) 3.145 2.331 ( 2.200 0.000 0.268) 2.217 2.356 ( -0.264 0.000 2.487) 2.501 2.446 ( -4.660 0.000 0.694) 4.712 2.537 ( 0.474 0.000 0.567) 0.739 2.648 ( -0.857 0.000 -0.845) 1.204 2.653 ( 2.940 0.000 2.678) 3.977 2.702 ( 8.429 0.000 0.962) 8.484 2.762 ( 2.048 0.000 6.831) 7.132 2.843 ( -1.405 0.000 0.002) 1.405 3.029 ( 4.967 0.000 1.104) 5.089 3.062 ( -0.748 0.000 3.870) 3.942 3.192 ( -0.590 0.000 -0.504) 0.776 3.239 ( 1.427 0.000 -1.164) 1.842 3.249 ( -3.022 0.000 -5.938) 6.663 3.323 ( -2.684 0.000 -1.633) 3.142 3.379 ( 0.575 0.000 1.232) 1.359 3.586 ( -5.178 0.000 1.365) 5.355 3.637 ( -2.375 0.000 5.707) 6.182 3.839 ( 1.049 0.000 -0.770) 1.301 3.943 ( 0.757 0.000 -2.506) 2.618 3.954 ( 5.313 0.000 -0.733) 5.364 4.280 ( -7.598 0.000 0.937) 7.656 4.551 ( 0.015 0.000 3.945) 3.945 4.611 ( 1.486 0.000 2.799) 3.169 4.852 ( 0.655 0.000 -1.529) 1.664 4.995 ( 2.235 0.000 3.610) 4.246 5.008 ( 0.080 0.000 -3.607) 3.608 5.163 ( 3.107 0.000 -3.316) 4.544 5.163 ( 1.560 0.000 -0.404) 1.611 5.360 ( -1.493 0.000 6.855) 7.015 5.389 ( -4.206 0.000 -2.926) 5.124 5.515 ( 3.710 0.000 -6.698) 7.657 5.616 ( 0.010 0.000 3.178) 3.178 5.665 ( 1.104 0.000 -3.236) 3.419 5.752 ( -0.103 0.000 1.747) 1.750 6.015 ( 0.094 0.000 -1.805) 1.807 6.143 ( -0.430 0.000 -5.261) 5.279 6.324 ( 0.995 0.000 -0.577) 1.150 6.471 ( 0.207 0.000 -2.849) 2.857 6.838 ( -3.298 0.000 1.769) 3.742 6.901 ( -0.759 0.000 1.534) 1.711 6.933 ( -2.062 0.000 -2.947) 3.597 7.177 ( 2.076 0.000 1.461) 2.539 7.247 ( 0.077 0.000 -1.305) 1.307 7.321 ( -3.608 0.000 2.230) 4.242 7.401 ( -1.698 0.000 -0.194) 1.709 7.712 ( 0.111 0.000 0.393) 0.408 7.795 ( 4.287 0.000 -1.150) 4.439 8.017 ( -1.136 0.000 2.776) 2.999 8.047 ( 2.574 0.000 -2.518) 3.601 8.113 ( -1.283 0.000 -3.580) 3.803 8.196 ( -1.785 0.000 2.562) 3.122 8.517 ( 1.863 0.000 0.125) 1.867 8.551 ( 1.003 0.000 -0.988) 1.408 8.634 ( -2.091 0.000 -0.712) 2.209 8.872 ( -0.722 0.000 -0.944) 1.188 9.192 ( -1.114 0.000 -0.973) 1.480 9.252 ( -0.601 0.000 2.556) 2.626 9.574 ( 1.199 0.000 1.456) 1.886 9.668 ( -1.576 0.000 -4.459) 4.729 9.840 ( 2.130 0.000 -1.598) 2.663 9.922 ( 1.081 0.000 -1.355) 1.733 10.149 ( -0.809 0.000 1.430) 1.643 10.269 ( -0.407 0.000 3.059) 3.086 10.735 ( -0.149 0.000 -0.329) 0.361 11.176 ( 1.979 0.000 0.873) 2.163 11.560 ( 1.793 0.000 0.577) 1.883 11.587 ( 1.657 0.000 1.856) 2.488 11.670 ( 0.355 0.000 4.847) 4.860 11.863 ( -0.452 0.000 0.067) 0.457 12.870 ( -0.984 0.000 -2.284) 2.487 12.914 ( 1.652 0.000 1.582) 2.288 13.445 ( -2.037 0.000 -0.530) 2.105 13.535 ( -0.092 0.000 -1.091) 1.095 13.572 ( -0.822 0.000 0.897) 1.217 13.790 ( 0.281 0.000 -0.472) 0.550 14.692 ( 0.611 0.000 0.558) 0.827 14.754 ( -0.416 0.000 -1.148) 1.221 14.784 ( -0.358 0.000 -0.293) 0.463 14.889 ( 1.283 0.000 0.048) 1.284 15.426 ( 1.020 0.000 -0.753) 1.267 15.483 ( -0.841 0.000 -4.252) 4.335 15.809 ( -0.130 0.000 0.030) 0.133 16.037 ( -2.028 0.000 3.989) 4.475 16.120 ( 0.982 0.000 3.049) 3.203 16.198 ( 3.239 0.000 -3.741) 4.949 16.267 ( -0.572 0.000 0.298) 0.644 16.534 ( 1.099 0.000 -2.025) 2.304 17.011 ( -0.734 0.000 1.744) 1.892 17.152 ( -0.018 0.000 0.270) 0.271 17.181 ( -0.990 0.000 -2.120) 2.340 17.688 ( -2.479 0.000 -0.117) 2.482 17.717 ( -2.428 0.000 3.148) 3.976 17.803 ( -2.240 0.000 -5.920) 6.329 18.026 ( -2.208 0.000 5.482) 5.910 18.344 ( 1.144 0.000 1.434) 1.834 19.097 ( -2.165 0.000 1.890) 2.874 19.397 ( 3.744 0.000 5.351) 6.531 19.514 ( -2.074 0.000 -3.859) 4.381 19.601 ( -2.637 0.000 -4.127) 4.898 19.990 ( 1.144 0.000 0.452) 1.230 20.306 ( -0.223 0.000 -0.281) 0.359 20.391 ( 1.472 0.000 3.071) 3.405 20.541 ( -0.202 0.000 -0.206) 0.288 ======================= Grid point 5 (6/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 0.000 0.000) 0.000 0.839 ( -0.000 0.000 0.000) 0.000 0.967 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.345 ( -0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 -0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.966 ( -0.000 0.000 -0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.191 ( -0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 -0.000) 0.000 2.678 ( 0.000 0.000 -0.000) 0.000 2.715 ( -0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 -0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.112 ( -0.000 0.000 -0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.132 ( -0.000 0.000 -0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 -0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 -0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 -0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 -0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 -0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 -0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 -0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.602 ( -0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.925 ( 0.000 0.000 -0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 -0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 12.937 ( 0.000 0.000 0.000) 0.000 13.426 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 13.569 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 14.744 ( 0.000 0.000 0.000) 0.000 14.780 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.808 ( 0.000 0.000 0.000) 0.000 16.040 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.533 ( 0.000 0.000 0.000) 0.000 17.015 ( 0.000 0.000 0.000) 0.000 17.153 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.664 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 18.034 ( 0.000 0.000 0.000) 0.000 18.360 ( 0.000 0.000 0.000) 0.000 19.089 ( 0.000 0.000 -0.000) 0.000 19.473 ( 0.000 0.000 0.000) 0.000 19.484 ( -0.000 0.000 0.000) 0.000 19.529 ( 0.000 0.000 0.000) 0.000 20.005 ( 0.000 0.000 0.000) 0.000 20.303 ( 0.000 0.000 0.000) 0.000 20.422 ( 0.000 0.000 0.000) 0.000 20.536 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 12.923 0.000) 12.923 0.486 ( 0.000 20.618 0.000) 20.618 0.703 ( 0.000 -6.145 0.000) 6.145 0.876 ( 0.000 24.949 0.000) 24.949 1.065 ( 0.000 14.024 0.000) 14.024 1.089 ( 0.000 2.444 0.000) 2.444 1.392 ( 0.000 -6.634 0.000) 6.634 1.665 ( 0.000 2.170 0.000) 2.170 1.671 ( 0.000 4.214 0.000) 4.214 1.773 ( 0.000 -0.410 0.000) 0.410 1.917 ( 0.000 -0.488 0.000) 0.488 1.933 ( 0.000 -4.534 0.000) 4.534 2.074 ( 0.000 -0.763 0.000) 0.763 2.187 ( 0.000 1.968 0.000) 1.968 2.207 ( 0.000 -2.188 0.000) 2.188 2.248 ( 0.000 -1.143 0.000) 1.143 2.297 ( 0.000 -0.151 0.000) 0.151 2.416 ( 0.000 -2.511 0.000) 2.511 2.526 ( 0.000 0.327 0.000) 0.327 2.596 ( 0.000 -7.843 0.000) 7.843 2.610 ( 0.000 2.425 0.000) 2.425 2.690 ( 0.000 1.616 0.000) 1.616 2.739 ( 0.000 2.144 0.000) 2.144 2.791 ( 0.000 -4.958 0.000) 4.958 2.820 ( 0.000 2.932 0.000) 2.932 2.960 ( 0.000 0.450 0.000) 0.450 2.984 ( 0.000 -1.582 0.000) 1.582 3.173 ( 0.000 -2.544 0.000) 2.544 3.200 ( 0.000 0.546 0.000) 0.546 3.308 ( 0.000 -6.981 0.000) 6.981 3.392 ( 0.000 11.756 0.000) 11.756 3.431 ( 0.000 -1.201 0.000) 1.201 3.630 ( 0.000 3.616 0.000) 3.616 3.683 ( 0.000 -1.050 0.000) 1.050 3.750 ( 0.000 0.915 0.000) 0.915 3.847 ( 0.000 2.134 0.000) 2.134 3.990 ( 0.000 -6.265 0.000) 6.265 4.166 ( 0.000 -5.327 0.000) 5.327 4.515 ( 0.000 -0.807 0.000) 0.807 4.661 ( 0.000 0.255 0.000) 0.255 4.672 ( 0.000 -7.550 0.000) 7.550 4.849 ( 0.000 -1.568 0.000) 1.568 4.865 ( 0.000 -3.391 0.000) 3.391 4.966 ( 0.000 -6.036 0.000) 6.036 5.235 ( 0.000 7.435 0.000) 7.435 5.315 ( 0.000 0.249 0.000) 0.249 5.419 ( 0.000 -6.193 0.000) 6.193 5.532 ( 0.000 -3.438 0.000) 3.438 5.737 ( 0.000 1.906 0.000) 1.906 5.741 ( 0.000 -0.076 0.000) 0.076 6.054 ( 0.000 15.651 0.000) 15.651 6.097 ( 0.000 5.014 0.000) 5.014 6.274 ( 0.000 -1.758 0.000) 1.758 6.425 ( 0.000 -1.962 0.000) 1.962 6.517 ( 0.000 9.863 0.000) 9.863 6.772 ( 0.000 -4.132 0.000) 4.132 7.031 ( 0.000 7.318 0.000) 7.318 7.153 ( 0.000 0.488 0.000) 0.488 7.321 ( 0.000 1.034 0.000) 1.034 7.407 ( 0.000 0.196 0.000) 0.196 7.508 ( 0.000 2.529 0.000) 2.529 7.597 ( 0.000 0.430 0.000) 0.430 7.668 ( 0.000 -2.806 0.000) 2.806 7.685 ( 0.000 -0.910 0.000) 0.910 7.969 ( 0.000 -8.878 0.000) 8.878 7.986 ( 0.000 -4.957 0.000) 4.957 8.141 ( 0.000 4.402 0.000) 4.402 8.419 ( 0.000 -8.018 0.000) 8.018 8.616 ( 0.000 2.768 0.000) 2.768 8.646 ( 0.000 3.048 0.000) 3.048 8.900 ( 0.000 4.058 0.000) 4.058 8.912 ( 0.000 0.173 0.000) 0.173 9.309 ( 0.000 3.148 0.000) 3.148 9.414 ( 0.000 -0.315 0.000) 0.315 9.471 ( 0.000 -0.857 0.000) 0.857 9.505 ( 0.000 -3.491 0.000) 3.491 9.886 ( 0.000 0.240 0.000) 0.240 9.981 ( 0.000 -3.692 0.000) 3.692 10.147 ( 0.000 1.378 0.000) 1.378 10.171 ( 0.000 1.426 0.000) 1.426 10.877 ( 0.000 1.972 0.000) 1.972 10.995 ( 0.000 -1.614 0.000) 1.614 11.155 ( 0.000 0.425 0.000) 0.425 11.262 ( 0.000 -4.339 0.000) 4.339 12.014 ( 0.000 11.713 0.000) 11.713 12.580 ( 0.000 -10.028 0.000) 10.028 13.063 ( 0.000 5.009 0.000) 5.009 13.233 ( 0.000 -1.969 0.000) 1.969 13.584 ( 0.000 0.465 0.000) 0.465 13.614 ( 0.000 -0.127 0.000) 0.127 13.665 ( 0.000 3.282 0.000) 3.282 13.808 ( 0.000 -2.204 0.000) 2.204 14.590 ( 0.000 2.324 0.000) 2.324 14.753 ( 0.000 0.783 0.000) 0.783 14.819 ( 0.000 -4.874 0.000) 4.874 14.850 ( 0.000 -1.794 0.000) 1.794 15.354 ( 0.000 0.443 0.000) 0.443 15.382 ( 0.000 -0.802 0.000) 0.802 15.859 ( 0.000 3.787 0.000) 3.787 15.961 ( 0.000 -0.006 0.000) 0.006 16.003 ( 0.000 0.739 0.000) 0.739 16.152 ( 0.000 -3.931 0.000) 3.931 16.528 ( 0.000 2.022 0.000) 2.022 16.813 ( 0.000 -11.273 0.000) 11.273 17.155 ( 0.000 1.494 0.000) 1.494 17.228 ( 0.000 -1.213 0.000) 1.213 17.772 ( 0.000 1.812 0.000) 1.812 17.791 ( 0.000 -0.229 0.000) 0.229 18.039 ( 0.000 1.305 0.000) 1.305 18.114 ( 0.000 -0.373 0.000) 0.373 18.270 ( 0.000 3.981 0.000) 3.981 18.365 ( 0.000 -0.982 0.000) 0.982 18.984 ( 0.000 3.181 0.000) 3.181 19.209 ( 0.000 -6.375 0.000) 6.375 19.474 ( 0.000 4.777 0.000) 4.777 19.564 ( 0.000 0.072 0.000) 0.072 20.070 ( 0.000 2.092 0.000) 2.092 20.146 ( 0.000 -0.481 0.000) 0.481 20.239 ( 0.000 0.966 0.000) 0.966 20.313 ( 0.000 -1.789 0.000) 1.789 ======================= Grid point 12 (8/96) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 10.147 8.997 1.879) 13.690 0.511 ( 7.446 17.169 -5.777) 19.585 0.741 ( 5.810 -3.183 -4.255) 7.874 0.987 ( 6.736 4.685 4.199) 9.218 1.079 ( -0.151 3.102 -1.214) 3.334 1.160 ( 8.704 20.149 6.730) 22.957 1.419 ( 2.966 -6.137 -0.757) 6.858 1.617 ( -2.119 2.148 -3.197) 4.396 1.673 ( 0.739 2.122 -1.962) 2.983 1.761 ( -1.476 -0.274 -0.908) 1.755 1.857 ( -2.151 -0.839 -2.382) 3.317 1.949 ( -1.048 -0.460 0.199) 1.162 2.008 ( -5.553 3.329 2.200) 6.838 2.182 ( -1.428 -0.042 -0.848) 1.662 2.203 ( -2.981 -1.764 3.985) 5.280 2.280 ( 1.488 -1.071 2.167) 2.839 2.303 ( 5.680 1.440 -7.195) 9.279 2.376 ( -1.260 -0.167 -3.111) 3.360 2.535 ( -0.430 -0.318 0.324) 0.625 2.565 ( -3.378 -1.376 -2.289) 4.306 2.620 ( 0.529 -1.383 1.918) 2.423 2.692 ( 2.318 -1.324 -5.925) 6.498 2.719 ( -3.400 2.116 5.594) 6.880 2.779 ( -0.950 -4.058 -1.055) 4.299 2.829 ( -2.273 4.809 5.088) 7.361 2.931 ( -2.815 -0.854 2.348) 3.764 2.998 ( 0.863 -2.826 -0.154) 2.959 3.200 ( 2.931 -2.156 -1.235) 3.843 3.225 ( 3.157 0.956 -0.722) 3.377 3.277 ( -3.068 -3.937 -1.169) 5.126 3.340 ( -2.313 6.630 0.632) 7.050 3.510 ( 4.083 -1.269 -2.066) 4.749 3.590 ( -0.789 1.117 0.306) 1.401 3.681 ( 1.076 0.506 -2.374) 2.655 3.737 ( -3.975 -2.244 -0.502) 4.592 3.843 ( 1.338 3.168 0.947) 3.567 4.031 ( 2.073 -6.320 2.006) 6.947 4.196 ( 0.250 -6.461 4.946) 8.140 4.509 ( -1.265 -1.479 1.183) 2.278 4.637 ( 0.468 -2.134 -4.786) 5.261 4.655 ( -4.820 -3.584 6.658) 8.967 4.867 ( 3.907 -0.474 -2.858) 4.864 4.937 ( 5.220 -5.660 1.000) 7.765 4.978 ( 0.852 -4.633 1.617) 4.980 5.221 ( -0.973 7.732 0.423) 7.805 5.304 ( -1.279 1.762 -0.060) 2.179 5.419 ( 0.966 -5.020 -1.769) 5.410 5.538 ( 1.032 -3.828 -0.658) 4.019 5.677 ( -4.992 2.728 1.879) 5.990 5.751 ( 1.708 1.776 -5.625) 6.141 6.051 ( 0.910 14.986 -2.190) 15.172 6.094 ( 0.684 5.361 -1.770) 5.687 6.278 ( 0.517 -1.921 -0.268) 2.007 6.425 ( 0.770 -2.092 -1.855) 2.900 6.480 ( -1.521 9.863 -3.143) 10.463 6.777 ( -0.027 -4.992 0.610) 5.029 7.028 ( -1.106 6.395 1.366) 6.632 7.152 ( -2.609 1.166 4.326) 5.184 7.259 ( -6.334 1.646 0.453) 6.560 7.386 ( -2.066 -1.985 -1.106) 3.071 7.553 ( 4.554 2.126 -5.124) 7.177 7.578 ( -0.490 2.339 0.564) 2.455 7.609 ( -2.628 1.660 -4.061) 5.114 7.705 ( 2.852 1.589 -0.975) 3.407 7.960 ( 0.560 -6.794 -1.764) 7.042 8.013 ( 3.906 -4.738 -3.525) 7.081 8.149 ( -1.958 2.358 4.552) 5.488 8.359 ( -6.406 -3.715 0.247) 7.409 8.585 ( -1.029 3.581 -2.969) 4.764 8.656 ( -0.384 1.294 1.543) 2.050 8.777 ( -8.312 12.049 -1.633) 14.728 8.927 ( 1.269 -0.194 -2.326) 2.656 9.296 ( -3.340 2.401 2.486) 4.806 9.337 ( -2.413 2.905 -2.931) 4.781 9.454 ( -0.473 -1.401 1.354) 2.005 9.595 ( 8.524 -5.862 -5.993) 11.955 9.875 ( 0.686 0.438 -3.715) 3.803 9.948 ( -2.114 -2.093 -1.705) 3.429 10.151 ( -0.210 1.423 1.398) 2.006 10.181 ( -0.246 1.206 2.480) 2.769 10.853 ( 0.084 1.782 -4.623) 4.955 10.960 ( 2.831 -2.129 -7.905) 8.662 11.229 ( 1.244 -1.194 9.054) 9.217 11.303 ( 0.165 -4.117 7.750) 8.777 12.019 ( 0.187 11.974 0.660) 11.993 12.596 ( 1.181 -10.297 1.147) 10.428 12.685 ( -32.264 36.060 -14.474) 50.505 13.055 ( -0.232 3.377 -4.774) 5.852 13.550 ( -0.916 -0.685 -0.422) 1.219 13.632 ( -2.154 -1.620 0.837) 2.822 13.664 ( 1.455 2.098 -4.592) 5.254 13.802 ( -0.458 -2.021 -0.474) 2.126 14.601 ( 1.005 1.950 0.831) 2.346 14.769 ( 1.472 0.698 0.170) 1.638 14.800 ( -1.128 -4.185 -0.343) 4.348 14.823 ( -1.250 -0.678 -0.964) 1.718 15.328 ( 1.472 2.559 0.034) 2.952 15.504 ( 6.554 -8.507 -0.759) 10.766 15.847 ( 0.020 3.544 -2.336) 4.244 15.964 ( -1.937 -0.640 3.902) 4.403 16.008 ( 0.126 0.552 0.966) 1.120 16.148 ( 0.942 -3.968 -2.237) 4.651 16.525 ( -0.890 1.972 0.805) 2.308 16.775 ( -4.701 -7.181 -0.206) 8.586 17.145 ( -2.531 3.056 0.607) 4.014 17.228 ( -0.202 -1.219 0.279) 1.267 17.415 ( -30.796 33.839 -15.699) 48.373 17.787 ( -1.174 -0.071 0.903) 1.483 17.808 ( -0.733 3.746 -2.087) 4.350 18.055 ( -3.959 2.570 3.839) 6.085 18.137 ( 0.702 -0.915 0.745) 1.373 18.251 ( -8.153 -2.405 -3.016) 9.020 19.018 ( 2.440 1.420 5.191) 5.909 19.227 ( -3.861 -5.766 1.311) 7.062 19.556 ( 4.585 3.813 1.441) 6.134 19.762 ( 7.187 -4.785 -2.668) 9.037 20.129 ( -2.140 -1.962 -0.256) 2.915 20.150 ( 2.730 -5.331 2.291) 6.412 20.250 ( 2.985 1.492 1.529) 3.670 20.373 ( 4.349 -3.760 1.921) 6.061 ======================= Grid point 13 (9/96) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 5.912 11.622 5.067) 13.989 0.621 ( 11.148 6.271 -3.799) 13.343 0.813 ( 8.384 0.686 -5.560) 10.083 1.068 ( 1.971 2.994 -1.572) 3.914 1.145 ( 7.152 -0.312 3.917) 8.160 1.373 ( 6.189 3.674 2.401) 7.587 1.424 ( 0.977 -3.996 -6.085) 7.345 1.573 ( -0.889 -5.402 -3.992) 6.775 1.677 ( 2.063 1.351 1.180) 2.734 1.723 ( -0.385 0.390 -1.399) 1.503 1.873 ( 5.655 4.539 1.172) 7.345 1.888 ( -4.609 4.042 -0.188) 6.134 1.983 ( -1.432 7.907 4.816) 9.369 2.136 ( -5.330 0.152 3.320) 6.281 2.202 ( 1.588 0.464 -0.568) 1.749 2.289 ( 2.205 1.432 -6.585) 7.091 2.320 ( 0.030 -2.060 -0.099) 2.063 2.370 ( 3.252 0.828 -2.980) 4.488 2.479 ( -3.859 -1.961 -2.465) 4.981 2.510 ( -2.276 0.068 0.968) 2.474 2.623 ( -2.185 2.611 -1.928) 3.913 2.646 ( -0.080 2.319 -3.093) 3.866 2.720 ( -4.093 -6.876 4.225) 9.049 2.742 ( -0.951 0.125 1.196) 1.533 2.857 ( -2.335 4.224 7.020) 8.519 2.929 ( -0.256 -1.568 0.494) 1.664 3.015 ( 1.958 -4.096 0.198) 4.544 3.186 ( -2.880 -2.844 -1.265) 4.241 3.235 ( 1.059 2.938 -2.102) 3.765 3.276 ( 3.098 -1.442 -2.378) 4.163 3.350 ( -0.019 6.486 5.683) 8.623 3.492 ( -0.662 -3.348 -1.580) 3.761 3.609 ( -7.591 -4.877 0.550) 9.040 3.646 ( 1.296 -3.879 3.296) 5.252 3.703 ( 4.036 4.917 -4.328) 7.694 3.886 ( 2.261 2.361 0.440) 3.299 4.077 ( 1.219 -4.603 1.770) 5.080 4.245 ( -1.211 -5.095 6.070) 8.017 4.502 ( -1.289 -2.750 2.243) 3.776 4.605 ( 0.694 1.303 -3.644) 3.932 4.652 ( -1.946 -6.456 4.842) 8.301 4.908 ( 2.715 1.651 -0.572) 3.229 4.984 ( 1.103 -6.370 0.560) 6.489 5.048 ( 5.722 -1.583 -2.676) 6.512 5.230 ( 0.661 2.640 1.517) 3.116 5.271 ( -2.097 2.918 -0.821) 3.686 5.426 ( 3.265 -2.308 -3.427) 5.266 5.552 ( 0.408 -3.424 0.989) 3.587 5.613 ( -2.621 2.437 -2.434) 4.328 5.704 ( -1.597 3.365 -3.191) 4.905 6.042 ( 1.081 14.221 -3.045) 14.584 6.089 ( 0.933 5.461 -2.033) 5.901 6.283 ( 0.702 -1.837 -0.807) 2.125 6.381 ( -1.972 5.632 -4.552) 7.505 6.454 ( 1.539 -0.159 -2.964) 3.344 6.776 ( -1.055 -6.380 1.231) 6.582 7.017 ( -1.799 4.059 0.695) 4.494 7.110 ( -7.364 2.365 0.757) 7.771 7.175 ( -2.914 2.716 2.855) 4.901 7.337 ( 0.119 -1.687 -3.835) 4.192 7.503 ( -6.488 3.093 3.235) 7.882 7.520 ( -1.492 3.649 -3.279) 5.128 7.667 ( 7.745 4.191 -3.649) 9.532 7.742 ( 2.178 3.807 -0.555) 4.421 7.960 ( 1.989 -4.784 -2.562) 5.780 8.034 ( 3.745 -2.646 -5.621) 7.254 8.145 ( -4.902 -0.211 5.945) 7.708 8.273 ( -2.890 -0.125 0.533) 2.942 8.540 ( -1.094 3.447 -2.208) 4.237 8.654 ( -2.269 2.510 1.562) 3.727 8.663 ( -2.179 7.250 -3.036) 8.156 8.919 ( -0.083 -0.350 -1.191) 1.245 9.259 ( -3.982 0.993 3.695) 5.522 9.291 ( -1.281 1.674 -2.049) 2.940 9.475 ( 1.735 -0.492 0.685) 1.929 9.662 ( 6.439 -6.917 -5.934) 11.159 9.838 ( 0.167 0.772 -5.220) 5.279 9.898 ( -2.183 -2.377 -0.887) 3.347 10.166 ( -0.358 1.775 2.394) 3.002 10.209 ( -0.327 0.707 4.244) 4.315 10.808 ( 0.043 2.113 -4.184) 4.688 10.962 ( 4.363 -4.597 -4.794) 7.947 11.340 ( 2.335 -1.801 7.826) 8.363 11.397 ( 0.657 -3.924 9.589) 10.382 12.032 ( 0.213 12.653 1.299) 12.721 12.202 ( -13.835 37.630 -7.030) 40.705 12.637 ( 1.863 -11.144 1.731) 11.431 12.991 ( -2.623 -0.906 -3.450) 4.428 13.529 ( -2.702 -1.257 1.769) 3.466 13.577 ( -1.102 -2.026 -4.853) 5.373 13.646 ( -0.449 3.560 -0.740) 3.663 13.787 ( -0.632 -1.796 -0.600) 1.997 14.631 ( 1.114 0.708 0.937) 1.619 14.764 ( -1.278 -3.499 -0.886) 3.829 14.800 ( 0.443 0.101 -0.487) 0.666 14.823 ( 2.086 -0.183 0.630) 2.187 15.372 ( 2.963 1.657 0.065) 3.395 15.549 ( 2.710 -7.311 -5.258) 9.404 15.825 ( -0.294 2.750 -1.352) 3.078 15.971 ( -1.287 -1.624 3.322) 3.916 16.029 ( 0.399 0.216 2.544) 2.584 16.144 ( 1.800 -3.915 -3.302) 5.428 16.506 ( -3.566 3.609 2.473) 5.644 16.667 ( -4.738 6.132 -2.636) 8.186 16.982 ( -8.074 10.552 -2.502) 13.520 17.185 ( -0.113 3.640 -0.993) 3.775 17.227 ( -0.344 -1.088 -0.342) 1.191 17.756 ( -4.861 -2.236 1.633) 5.595 17.788 ( -1.442 1.169 -0.318) 1.884 17.957 ( -6.234 -8.123 -6.773) 12.277 18.098 ( -4.126 3.590 5.371) 7.665 18.219 ( 1.812 -0.428 2.969) 3.504 19.124 ( 3.370 -0.567 6.057) 6.955 19.176 ( -3.622 -2.094 2.024) 4.647 19.632 ( 3.177 4.702 -0.192) 5.678 19.763 ( -0.408 0.288 -4.389) 4.418 20.054 ( -2.910 0.288 -2.932) 4.141 20.203 ( 0.526 -5.612 3.020) 6.395 20.319 ( 2.489 1.542 2.169) 3.644 20.453 ( 2.792 -4.305 1.499) 5.345 ======================= Grid point 14 (10/96) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 6.656 7.764 -0.013) 10.227 0.768 ( 6.035 6.418 3.235) 9.385 0.897 ( 6.407 2.266 -3.827) 7.800 1.119 ( 5.825 5.423 -1.283) 8.061 1.254 ( 0.214 3.261 0.398) 3.292 1.391 ( -0.526 -4.023 -4.153) 5.806 1.407 ( 2.002 -4.204 0.208) 4.661 1.506 ( 0.309 -4.530 -5.998) 7.523 1.683 ( -0.466 0.534 -0.764) 1.042 1.780 ( 5.686 -1.625 0.331) 5.923 1.804 ( -4.094 3.997 0.437) 5.738 1.929 ( 0.192 1.260 -0.616) 1.416 2.067 ( -3.273 1.746 -0.356) 3.727 2.131 ( 5.409 2.088 5.447) 7.955 2.247 ( 0.403 3.108 -0.540) 3.180 2.254 ( 2.789 3.232 -2.679) 5.040 2.306 ( -0.827 0.982 -1.687) 2.120 2.380 ( 0.792 -5.049 -0.471) 5.132 2.403 ( -2.604 -1.324 -0.315) 2.939 2.495 ( -2.045 -0.800 0.327) 2.220 2.569 ( 0.295 5.268 0.961) 5.363 2.631 ( 2.454 0.102 -4.507) 5.133 2.696 ( -2.712 -0.471 3.337) 4.326 2.758 ( -1.683 -3.034 5.171) 6.227 2.850 ( -3.420 1.086 2.298) 4.261 2.928 ( 0.814 0.218 -0.830) 1.183 3.055 ( 0.408 -5.900 1.087) 6.013 3.152 ( -1.464 -4.211 1.968) 4.874 3.218 ( -0.767 2.784 -1.515) 3.261 3.282 ( 0.957 -0.814 -2.825) 3.092 3.405 ( 0.041 4.231 3.615) 5.565 3.476 ( 0.732 0.729 -2.622) 2.819 3.544 ( -2.237 -0.499 5.858) 6.290 3.681 ( -0.893 0.557 3.429) 3.587 3.745 ( 4.350 2.048 -1.997) 5.207 3.923 ( 2.109 1.684 -0.352) 2.722 4.100 ( 0.022 -1.474 0.812) 1.683 4.267 ( -2.918 -0.375 5.769) 6.476 4.513 ( -0.895 -3.910 3.794) 5.521 4.595 ( 1.844 2.267 -2.909) 4.123 4.679 ( 0.834 -10.639 2.184) 10.893 4.941 ( 0.833 3.364 0.705) 3.536 5.013 ( 2.606 -4.122 -0.825) 4.946 5.084 ( 3.346 0.418 -5.413) 6.377 5.230 ( -1.460 1.436 -0.775) 2.190 5.252 ( 0.171 -5.172 1.024) 5.276 5.464 ( 4.710 0.125 -3.392) 5.806 5.535 ( -3.437 2.207 -3.228) 5.206 5.569 ( 0.134 -1.945 1.474) 2.444 5.653 ( -1.917 1.828 -0.984) 2.825 6.031 ( 0.860 13.944 -2.477) 14.189 6.086 ( 0.907 5.596 -1.670) 5.910 6.286 ( 1.336 0.588 -3.348) 3.652 6.305 ( -2.241 4.175 -2.148) 5.202 6.445 ( 0.814 -2.483 -3.223) 4.149 6.769 ( -1.470 -7.948 1.832) 8.288 6.943 ( -6.134 1.319 -1.666) 6.492 7.012 ( -3.332 1.535 -1.277) 3.885 7.179 ( -0.013 3.916 1.952) 4.375 7.324 ( 1.063 0.732 -2.072) 2.441 7.429 ( -5.623 3.998 3.035) 7.538 7.475 ( -2.210 2.940 0.214) 3.684 7.741 ( 3.057 3.489 -0.838) 4.714 7.774 ( 3.510 4.544 -1.979) 6.073 7.969 ( 1.543 -3.722 -2.209) 4.595 8.030 ( 0.795 -3.050 -2.726) 4.168 8.123 ( -1.700 0.501 2.424) 3.002 8.259 ( -0.525 0.673 0.812) 1.178 8.515 ( -0.138 2.107 -0.712) 2.228 8.607 ( -1.507 7.627 -1.106) 7.853 8.636 ( -1.228 -2.280 -0.795) 2.708 8.903 ( -0.622 -0.223 -0.820) 1.053 9.237 ( -2.626 0.192 2.761) 3.815 9.249 ( -2.302 0.938 0.107) 2.488 9.517 ( 2.654 -0.593 -0.009) 2.719 9.686 ( 2.746 -6.333 -6.436) 9.438 9.795 ( 0.051 0.171 -2.603) 2.609 9.863 ( -0.919 -3.722 -0.790) 3.914 10.182 ( -0.427 2.347 2.224) 3.261 10.245 ( -0.376 0.115 4.217) 4.236 10.782 ( 0.512 3.143 -2.172) 3.854 11.002 ( 4.027 -6.302 -1.977) 7.735 11.452 ( 2.937 -1.848 5.940) 6.879 11.496 ( 0.985 -3.698 7.668) 8.570 12.006 ( -4.655 26.510 -3.028) 27.085 12.055 ( -0.370 16.188 1.903) 16.304 12.682 ( 1.507 -11.887 1.173) 12.039 12.912 ( -3.038 -5.603 -2.344) 6.791 13.489 ( -3.100 -0.406 0.715) 3.207 13.529 ( 0.222 -1.174 -3.490) 3.689 13.633 ( -0.705 3.576 0.223) 3.651 13.774 ( -0.118 -1.790 -0.645) 1.906 14.646 ( 0.109 -0.957 0.048) 0.965 14.737 ( -0.668 -4.049 -1.091) 4.247 14.808 ( 0.692 2.116 0.136) 2.230 14.869 ( 2.299 0.101 0.589) 2.376 15.413 ( 2.060 0.841 -0.690) 2.329 15.515 ( 0.087 -3.468 -5.405) 6.423 15.815 ( -0.005 1.705 -0.352) 1.741 15.987 ( 0.408 -2.335 1.624) 2.873 16.069 ( 0.533 -0.210 3.885) 3.927 16.149 ( 2.645 -3.322 -3.283) 5.367 16.455 ( -5.085 8.520 2.957) 10.353 16.607 ( 0.677 6.624 -3.409) 7.480 16.884 ( -3.631 -2.921 -0.232) 4.666 17.184 ( 0.001 1.702 0.090) 1.704 17.212 ( -0.609 -0.448 -1.164) 1.388 17.624 ( -9.234 -12.910 -2.181) 16.022 17.759 ( -1.856 1.038 0.267) 2.143 17.838 ( -1.597 -3.530 -4.420) 5.878 18.107 ( -2.582 6.269 6.818) 9.615 18.282 ( 1.731 -1.369 3.012) 3.734 19.149 ( -2.391 1.448 2.992) 4.095 19.237 ( 3.104 -2.516 5.850) 7.084 19.637 ( -0.660 3.941 -3.466) 5.289 19.697 ( -2.219 1.011 -4.308) 4.951 20.011 ( 0.068 2.653 -0.491) 2.699 20.231 ( 0.296 -5.286 1.596) 5.530 20.377 ( 1.789 2.430 2.548) 3.950 20.498 ( 1.262 -3.061 1.097) 3.488 ======================= Grid point 15 (11/96) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 4.298 3.284 -1.120) 5.524 0.884 ( 4.100 9.241 3.296) 10.634 0.950 ( 2.367 5.215 -0.280) 5.734 1.190 ( 1.411 3.161 -2.545) 4.297 1.237 ( 3.184 3.739 -1.418) 5.111 1.303 ( -3.362 -2.674 -3.444) 5.506 1.392 ( -1.513 0.112 -4.415) 4.669 1.544 ( 2.627 -4.697 3.116) 6.219 1.679 ( 0.712 1.807 0.317) 1.968 1.756 ( -1.376 5.409 -0.031) 5.581 1.891 ( 5.413 -0.963 0.521) 5.522 1.933 ( 1.168 -4.500 0.475) 4.673 2.005 ( -2.614 3.841 -0.777) 4.711 2.130 ( -4.762 2.519 -1.441) 5.577 2.219 ( -1.605 -0.796 -2.729) 3.265 2.258 ( 1.944 0.822 -1.174) 2.416 2.317 ( -0.395 -2.924 -1.866) 3.491 2.369 ( 0.307 -1.424 -0.756) 1.642 2.400 ( 0.045 -2.704 2.143) 3.451 2.499 ( 1.550 -4.296 1.143) 4.708 2.595 ( -2.126 2.868 2.856) 4.572 2.631 ( 3.128 -1.277 -5.423) 6.389 2.742 ( 2.524 0.986 2.672) 3.806 2.765 ( -2.860 -2.165 5.867) 6.877 2.834 ( 0.624 1.755 2.348) 2.997 2.937 ( 0.821 -3.300 -1.253) 3.624 3.032 ( -1.906 -8.019 -1.083) 8.313 3.139 ( -2.135 -8.820 1.407) 9.183 3.221 ( -0.732 5.719 4.068) 7.056 3.271 ( 0.398 1.154 -1.575) 1.992 3.423 ( 1.750 3.194 -2.152) 4.230 3.493 ( 2.588 11.621 0.025) 11.906 3.581 ( -0.134 2.723 3.473) 4.415 3.681 ( -2.442 2.653 2.651) 4.475 3.807 ( 3.388 -0.191 0.586) 3.443 3.946 ( 1.203 1.621 -0.824) 2.181 4.104 ( 0.623 -0.465 -0.234) 0.812 4.255 ( -3.817 6.508 3.509) 8.321 4.546 ( -1.450 -3.897 7.031) 8.169 4.603 ( 2.905 -0.002 -4.354) 5.234 4.711 ( 1.504 -14.057 -0.079) 14.137 4.943 ( -0.622 3.415 -0.198) 3.477 5.048 ( 1.355 0.546 -0.953) 1.744 5.084 ( 3.073 -1.771 -2.601) 4.398 5.203 ( -1.192 -2.331 -0.639) 2.695 5.260 ( 0.318 -5.412 -0.796) 5.480 5.450 ( -2.932 2.528 -1.800) 4.270 5.501 ( 2.653 0.369 -2.134) 3.425 5.582 ( 0.045 -1.398 0.656) 1.545 5.626 ( -1.002 -0.868 0.445) 1.398 6.025 ( 0.484 13.981 -1.123) 14.034 6.086 ( 0.532 6.015 -0.929) 6.109 6.237 ( -0.768 7.609 -3.461) 8.394 6.299 ( 0.472 -2.435 -0.100) 2.482 6.425 ( 0.044 -2.516 -2.022) 3.229 6.762 ( -1.162 -9.851 1.235) 9.996 6.841 ( -3.867 0.780 -0.762) 4.017 6.947 ( -2.342 0.462 -2.008) 3.120 7.207 ( 2.116 3.660 0.099) 4.228 7.303 ( -2.353 2.623 -0.584) 3.572 7.392 ( -1.512 4.088 1.929) 4.767 7.451 ( -1.305 2.449 0.863) 2.907 7.767 ( 0.771 4.343 0.441) 4.432 7.805 ( 1.891 1.090 -1.685) 2.757 7.968 ( 0.422 -3.028 -1.329) 3.333 8.020 ( -0.245 -4.995 -0.125) 5.003 8.135 ( 1.088 3.517 0.413) 3.705 8.255 ( -0.574 2.760 0.145) 2.823 8.523 ( 1.047 0.399 0.713) 1.328 8.583 ( -0.314 5.256 -0.911) 5.344 8.602 ( -1.668 -1.928 -1.178) 2.808 8.886 ( -0.525 0.131 -0.552) 0.773 9.206 ( -1.626 1.066 -0.298) 1.967 9.238 ( -1.416 -0.995 2.721) 3.224 9.556 ( 1.987 -1.324 -0.271) 2.403 9.638 ( -0.933 -3.571 -4.452) 5.783 9.795 ( 1.195 -2.204 -0.938) 2.677 9.852 ( 0.099 -4.600 -0.388) 4.618 10.192 ( -0.307 2.846 1.264) 3.129 10.272 ( -0.388 -0.315 2.554) 2.602 10.779 ( 0.592 4.088 -0.722) 4.193 11.047 ( 2.412 -7.211 -0.463) 7.618 11.543 ( 2.343 -2.209 3.273) 4.591 11.567 ( 0.544 -3.057 4.197) 5.220 11.935 ( -1.721 23.056 -1.324) 23.158 12.071 ( -0.068 15.544 1.505) 15.617 12.700 ( 0.190 -12.046 -0.323) 12.052 12.862 ( -1.301 -8.816 -0.317) 8.917 13.453 ( -1.289 0.958 -0.304) 1.634 13.508 ( -0.237 -1.324 -1.147) 1.768 13.627 ( -0.377 3.650 0.259) 3.679 13.770 ( 0.219 -1.854 -0.457) 1.922 14.640 ( -0.318 -2.070 -0.430) 2.137 14.722 ( -0.178 -4.308 -0.690) 4.367 14.822 ( 0.530 3.702 0.268) 3.749 14.904 ( 1.324 0.426 0.347) 1.434 15.428 ( 0.814 0.285 -0.776) 1.160 15.469 ( -0.475 -1.161 -3.022) 3.272 15.814 ( 0.074 1.332 -0.171) 1.345 16.011 ( 0.985 -2.844 0.462) 3.045 16.107 ( -0.065 -0.888 2.640) 2.786 16.172 ( 2.711 -2.133 -1.466) 3.748 16.409 ( -2.821 10.242 1.650) 10.750 16.603 ( 1.429 6.686 -1.944) 7.108 16.837 ( -2.165 -9.390 0.350) 9.643 17.179 ( -0.662 0.750 -0.123) 1.008 17.192 ( -0.107 0.711 -1.042) 1.266 17.470 ( -5.772 -18.038 -2.108) 19.056 17.735 ( -1.240 0.996 0.437) 1.649 17.788 ( -0.985 -0.717 -1.945) 2.295 18.130 ( -1.193 6.939 4.064) 8.130 18.327 ( 0.812 -1.750 1.762) 2.613 19.149 ( -1.171 4.022 2.730) 5.000 19.334 ( 2.227 -4.088 4.493) 6.470 19.572 ( -1.590 3.341 -3.642) 5.192 19.616 ( -2.544 0.946 -3.803) 4.672 20.031 ( 1.296 3.631 0.694) 3.918 20.246 ( 0.290 -4.450 0.579) 4.497 20.425 ( 1.109 2.148 2.091) 3.196 20.518 ( 0.380 -1.872 0.350) 1.941 ======================= Grid point 16 (12/96) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 2.460 0.000) 2.460 0.954 ( 0.000 -1.444 0.000) 1.444 0.957 ( -0.000 17.928 -0.000) 17.928 1.172 ( 0.000 1.105 0.000) 1.105 1.252 ( -0.000 -0.914 0.000) 0.914 1.281 ( 0.000 4.146 0.000) 4.146 1.347 ( 0.000 0.894 0.000) 0.894 1.576 ( 0.000 -4.692 0.000) 4.692 1.698 ( 0.000 1.696 0.000) 1.696 1.746 ( 0.000 6.925 0.000) 6.925 1.950 ( -1.239 -5.600 -0.187) 5.738 1.950 ( 1.239 -2.872 0.187) 3.133 1.980 ( 0.000 2.762 0.000) 2.762 2.069 ( 0.000 6.585 0.000) 6.585 2.174 ( -0.000 -1.610 0.000) 1.610 2.272 ( 0.000 0.981 0.000) 0.981 2.295 ( 0.000 -4.447 0.000) 4.447 2.388 ( 0.000 -0.140 0.000) 0.140 2.401 ( 0.000 -4.052 0.000) 4.052 2.518 ( 0.000 -7.532 0.000) 7.532 2.587 ( 0.000 3.607 0.000) 3.607 2.634 ( 0.000 0.189 -0.000) 0.189 2.741 ( 0.000 0.720 0.000) 0.720 2.788 ( 0.000 -3.360 -0.000) 3.360 2.906 ( -0.000 -5.606 -0.000) 5.606 2.907 ( 0.000 -2.134 0.000) 2.134 3.012 ( 0.000 -5.890 0.000) 5.890 3.124 ( 0.000 -10.302 0.000) 10.302 3.241 ( 0.000 4.677 0.000) 4.677 3.262 ( 0.000 3.255 -0.000) 3.255 3.430 ( 0.000 8.002 0.000) 8.002 3.523 ( 0.000 14.682 0.000) 14.682 3.596 ( 0.000 2.435 0.000) 2.435 3.667 ( 0.000 1.902 0.000) 1.902 3.844 ( 0.000 -0.958 -0.000) 0.958 3.949 ( 0.000 2.119 0.000) 2.119 4.116 ( 0.000 -4.558 0.000) 4.558 4.229 ( 0.000 13.895 0.000) 13.895 4.579 ( 0.000 -1.335 0.000) 1.335 4.601 ( 0.000 -4.024 -0.000) 4.024 4.723 ( 0.000 -15.607 0.000) 15.607 4.933 ( 0.000 3.749 0.000) 3.749 5.046 ( 0.000 0.631 -0.000) 0.631 5.117 ( 0.000 -1.806 -0.000) 1.806 5.188 ( 0.000 -2.955 0.000) 2.955 5.245 ( 0.000 -4.420 0.000) 4.420 5.420 ( 0.000 2.267 0.000) 2.267 5.512 ( 0.000 -0.121 0.000) 0.121 5.585 ( 0.000 -1.252 0.000) 1.252 5.622 ( 0.000 -2.184 0.000) 2.184 6.025 ( 0.000 14.108 0.000) 14.108 6.086 ( 0.000 6.181 0.000) 6.181 6.213 ( 0.000 8.051 0.000) 8.051 6.303 ( 0.000 -2.524 0.000) 2.524 6.415 ( 0.000 -2.378 0.000) 2.378 6.757 ( 0.000 -10.918 0.000) 10.918 6.806 ( 0.000 0.824 0.000) 0.824 6.914 ( 0.000 0.440 0.000) 0.440 7.244 ( 0.000 3.347 0.000) 3.347 7.258 ( -0.000 2.773 0.000) 2.773 7.393 ( 0.000 4.580 0.000) 4.580 7.445 ( 0.000 2.200 0.000) 2.200 7.776 ( 0.000 4.517 0.000) 4.517 7.810 ( 0.000 -0.664 0.000) 0.664 7.964 ( 0.000 -2.880 0.000) 2.880 8.018 ( 0.000 -5.535 0.000) 5.535 8.150 ( 0.000 4.849 0.000) 4.849 8.249 ( 0.000 3.858 0.000) 3.858 8.553 ( 0.000 0.055 0.000) 0.055 8.564 ( -0.000 -2.595 -0.000) 2.595 8.578 ( 0.000 5.011 0.000) 5.011 8.878 ( 0.000 0.340 0.000) 0.340 9.190 ( 0.000 1.032 0.000) 1.032 9.240 ( 0.000 -1.521 0.000) 1.521 9.575 ( 0.000 -1.554 0.000) 1.554 9.602 ( 0.000 -3.038 0.000) 3.038 9.802 ( 0.000 -2.695 0.000) 2.695 9.852 ( 0.000 -4.787 0.000) 4.787 10.196 ( 0.000 3.054 0.000) 3.054 10.281 ( 0.000 -0.450 0.000) 0.450 10.782 ( 0.000 4.428 0.000) 4.428 11.066 ( 0.000 -7.512 0.000) 7.512 11.582 ( 0.000 -3.464 0.000) 3.464 11.590 ( 0.000 -1.696 0.000) 1.696 11.915 ( 0.000 21.628 0.000) 21.628 12.078 ( 0.000 15.814 0.000) 15.814 12.696 ( 0.000 -11.941 0.000) 11.941 12.853 ( 0.000 -9.943 0.000) 9.943 13.441 ( 0.000 1.376 0.000) 1.376 13.500 ( 0.000 -1.408 0.000) 1.408 13.625 ( 0.000 3.712 0.000) 3.712 13.770 ( 0.000 -1.890 0.000) 1.890 14.635 ( 0.000 -2.352 0.000) 2.352 14.717 ( 0.000 -4.444 0.000) 4.444 14.828 ( 0.000 4.269 0.000) 4.269 14.917 ( 0.000 0.568 0.000) 0.568 15.431 ( 0.000 0.094 0.000) 0.094 15.449 ( 0.000 -0.514 0.000) 0.514 15.813 ( 0.000 1.287 0.000) 1.287 16.022 ( 0.000 -3.160 0.000) 3.160 16.118 ( 0.000 -0.817 0.000) 0.817 16.192 ( 0.000 -1.776 0.000) 1.776 16.394 ( 0.000 10.456 0.000) 10.456 16.607 ( 0.000 7.667 0.000) 7.667 16.820 ( 0.000 -12.020 0.000) 12.020 17.170 ( 0.000 0.847 0.000) 0.847 17.187 ( 0.000 0.878 0.000) 0.878 17.409 ( 0.000 -19.549 -0.000) 19.549 17.727 ( 0.000 0.854 0.000) 0.854 17.770 ( 0.000 0.099 0.000) 0.099 18.140 ( 0.000 7.100 0.000) 7.100 18.342 ( 0.000 -1.825 0.000) 1.825 19.154 ( 0.000 5.027 -0.000) 5.027 19.379 ( 0.000 -4.765 0.000) 4.765 19.552 ( 0.000 1.697 0.000) 1.697 19.556 ( 0.000 2.474 0.000) 2.474 20.047 ( 0.000 3.675 0.000) 3.675 20.252 ( 0.000 -4.027 0.000) 4.027 20.446 ( 0.000 1.743 0.000) 1.743 20.521 ( 0.000 -1.243 0.000) 1.243 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 -8.762 0.000) 8.762 0.544 ( 0.000 8.762 0.000) 8.762 0.852 ( 0.000 -11.720 0.000) 11.720 0.852 ( 0.000 11.720 0.000) 11.720 1.184 ( 0.000 -6.149 0.000) 6.149 1.184 ( 0.000 6.149 0.000) 6.149 1.660 ( 0.000 -10.647 0.000) 10.647 1.660 ( 0.000 10.647 0.000) 10.647 1.738 ( 0.000 -1.225 0.000) 1.225 1.738 ( 0.000 1.225 0.000) 1.225 1.894 ( 0.000 -2.381 0.000) 2.381 1.894 ( 0.000 2.381 0.000) 2.381 2.126 ( 0.000 -9.508 0.000) 9.508 2.126 ( 0.000 9.508 0.000) 9.508 2.207 ( 0.000 -3.110 0.000) 3.110 2.207 ( 0.000 3.110 0.000) 3.110 2.312 ( 0.000 -1.422 0.000) 1.422 2.312 ( 0.000 1.422 0.000) 1.422 2.458 ( 0.000 -2.188 0.000) 2.188 2.458 ( 0.000 2.188 0.000) 2.188 2.683 ( 0.000 -3.301 0.000) 3.301 2.683 ( 0.000 3.301 0.000) 3.301 2.753 ( 0.000 -0.587 0.000) 0.587 2.753 ( 0.000 0.587 0.000) 0.587 2.973 ( 0.000 -0.010 0.000) 0.010 2.973 ( 0.000 0.010 0.000) 0.010 2.999 ( 0.000 -10.603 0.000) 10.603 2.999 ( 0.000 10.603 0.000) 10.603 3.219 ( 0.000 -1.377 0.000) 1.377 3.219 ( 0.000 1.377 0.000) 1.377 3.454 ( 0.000 -2.499 0.000) 2.499 3.454 ( 0.000 2.499 0.000) 2.499 3.712 ( 0.000 -2.196 0.000) 2.196 3.712 ( 0.000 2.196 0.000) 2.196 3.887 ( 0.000 -2.681 0.000) 2.681 3.887 ( 0.000 2.681 0.000) 2.681 3.909 ( 0.000 -14.999 0.000) 14.999 3.909 ( 0.000 14.999 0.000) 14.999 4.536 ( 0.000 -4.114 0.000) 4.114 4.536 ( 0.000 4.114 0.000) 4.114 4.763 ( 0.000 -5.779 0.000) 5.779 4.763 ( 0.000 5.779 0.000) 5.779 4.852 ( 0.000 -2.908 0.000) 2.908 4.852 ( 0.000 2.908 0.000) 2.908 5.335 ( 0.000 -1.987 0.000) 1.987 5.335 ( 0.000 1.987 0.000) 1.987 5.409 ( 0.000 -7.572 0.000) 7.572 5.409 ( 0.000 7.572 0.000) 7.572 5.753 ( 0.000 -0.470 0.000) 0.470 5.753 ( 0.000 0.470 0.000) 0.470 6.204 ( 0.000 -4.023 0.000) 4.023 6.204 ( 0.000 4.023 0.000) 4.023 6.328 ( 0.000 -7.853 0.000) 7.853 6.328 ( 0.000 7.853 0.000) 7.853 6.684 ( 0.000 -4.888 0.000) 4.888 6.684 ( 0.000 4.888 0.000) 4.888 7.149 ( 0.000 -2.073 0.000) 2.073 7.149 ( 0.000 2.073 0.000) 2.073 7.363 ( 0.000 -3.112 0.000) 3.112 7.363 ( 0.000 3.112 0.000) 3.112 7.585 ( 0.000 -3.536 0.000) 3.536 7.585 ( 0.000 3.536 0.000) 3.536 7.652 ( 0.000 -5.098 0.000) 5.098 7.652 ( 0.000 5.098 0.000) 5.098 7.868 ( 0.000 -3.434 0.000) 3.434 7.868 ( 0.000 3.434 0.000) 3.434 8.259 ( 0.000 -6.352 0.000) 6.352 8.259 ( 0.000 6.352 0.000) 6.352 8.675 ( 0.000 -1.405 0.000) 1.405 8.675 ( 0.000 1.405 0.000) 1.405 8.928 ( 0.000 -1.007 0.000) 1.007 8.928 ( 0.000 1.007 0.000) 1.007 9.380 ( 0.000 -2.467 0.000) 2.467 9.380 ( 0.000 2.467 0.000) 2.467 9.460 ( 0.000 -0.073 0.000) 0.073 9.460 ( 0.000 0.073 0.000) 0.073 9.909 ( 0.000 -2.229 0.000) 2.229 9.909 ( 0.000 2.229 0.000) 2.229 10.177 ( 0.000 -0.915 0.000) 0.915 10.177 ( 0.000 0.915 0.000) 0.915 10.939 ( 0.000 -3.270 0.000) 3.270 10.939 ( 0.000 3.270 0.000) 3.270 11.182 ( 0.000 -2.388 0.000) 2.388 11.182 ( 0.000 2.388 0.000) 2.388 12.310 ( 0.000 -14.061 0.000) 14.061 12.310 ( 0.000 14.061 0.000) 14.061 13.166 ( 0.000 -4.094 0.000) 4.094 13.166 ( 0.000 4.094 0.000) 4.094 13.603 ( 0.000 -0.911 0.000) 0.911 13.603 ( 0.000 0.911 0.000) 0.911 13.743 ( 0.000 -3.560 0.000) 3.560 13.743 ( 0.000 3.560 0.000) 3.560 14.676 ( 0.000 -5.527 0.000) 5.527 14.676 ( 0.000 5.527 0.000) 5.527 14.804 ( 0.000 -2.063 0.000) 2.063 14.804 ( 0.000 2.063 0.000) 2.063 15.365 ( 0.000 -0.626 0.000) 0.626 15.365 ( 0.000 0.626 0.000) 0.626 15.943 ( 0.000 -2.412 0.000) 2.412 15.943 ( 0.000 2.412 0.000) 2.412 16.047 ( 0.000 -4.193 0.000) 4.193 16.047 ( 0.000 4.193 0.000) 4.193 16.612 ( 0.000 -6.311 0.000) 6.311 16.612 ( 0.000 6.311 0.000) 6.311 17.192 ( 0.000 -1.854 0.000) 1.854 17.192 ( 0.000 1.854 0.000) 1.854 17.790 ( 0.000 -0.077 0.000) 0.077 17.790 ( 0.000 0.077 0.000) 0.077 18.083 ( 0.000 -2.242 0.000) 2.242 18.083 ( 0.000 2.242 0.000) 2.242 18.337 ( 0.000 -1.944 0.000) 1.944 18.337 ( 0.000 1.944 0.000) 1.944 19.079 ( 0.000 -5.363 0.000) 5.363 19.079 ( 0.000 5.363 0.000) 5.363 19.547 ( 0.000 -1.908 0.000) 1.908 19.547 ( 0.000 1.908 0.000) 1.908 20.120 ( 0.000 -1.979 0.000) 1.979 20.120 ( 0.000 1.979 0.000) 1.979 20.270 ( 0.000 -1.850 0.000) 1.850 20.270 ( 0.000 1.850 0.000) 1.850 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 5.326 -5.971 -0.184) 8.004 0.590 ( 5.326 5.971 -0.184) 8.004 0.884 ( 5.714 -10.865 -3.147) 12.673 0.884 ( 5.714 10.865 -3.147) 12.673 1.201 ( 2.564 -7.673 -0.679) 8.118 1.201 ( 2.564 7.673 -0.679) 8.118 1.593 ( -3.979 -7.159 -5.145) 9.673 1.593 ( -3.979 7.159 -5.145) 9.673 1.722 ( -0.946 -2.455 -0.533) 2.685 1.722 ( -0.946 2.455 -0.533) 2.685 1.916 ( 2.422 -3.342 -0.804) 4.205 1.916 ( 2.422 3.342 -0.804) 4.205 2.146 ( -3.640 -5.619 6.292) 9.187 2.146 ( -3.640 5.619 6.292) 9.187 2.247 ( 4.162 -9.835 2.469) 10.961 2.247 ( 4.162 9.835 2.469) 10.961 2.302 ( 0.629 -2.218 -1.895) 2.984 2.302 ( 0.629 2.218 -1.895) 2.984 2.467 ( 1.420 -2.790 -2.273) 3.869 2.467 ( 1.420 2.790 -2.273) 3.869 2.647 ( -2.166 -4.193 -1.497) 4.951 2.647 ( -2.166 4.193 -1.497) 4.951 2.754 ( -0.342 -0.388 0.187) 0.550 2.754 ( -0.342 0.388 0.187) 0.550 2.942 ( -3.242 -1.497 0.523) 3.609 2.942 ( -3.242 1.497 0.523) 3.609 3.010 ( -0.136 -9.962 1.630) 10.095 3.010 ( -0.136 9.962 1.630) 10.095 3.237 ( 2.524 -0.301 -1.455) 2.929 3.237 ( 2.524 0.301 -1.455) 2.929 3.465 ( 0.259 -4.888 2.427) 5.464 3.465 ( 0.259 4.888 2.427) 5.464 3.644 ( -5.955 -4.028 -2.647) 7.661 3.644 ( -5.955 4.028 -2.647) 7.661 3.891 ( 1.248 -4.151 1.590) 4.617 3.891 ( 1.248 4.151 1.590) 4.617 3.949 ( 2.431 -9.905 0.608) 10.217 3.949 ( 2.431 9.905 0.608) 10.217 4.522 ( -2.150 -3.950 1.653) 4.792 4.522 ( -2.150 3.950 1.653) 4.792 4.777 ( 0.758 -7.820 0.638) 7.883 4.777 ( 0.758 7.820 0.638) 7.883 4.892 ( 4.740 -3.021 -0.499) 5.643 4.892 ( 4.740 3.021 -0.499) 5.643 5.316 ( -0.057 -0.327 -3.572) 3.587 5.316 ( -0.057 0.327 -3.572) 3.587 5.427 ( 0.850 -5.551 1.936) 5.940 5.427 ( 0.850 5.551 1.936) 5.940 5.736 ( -0.998 -2.185 -1.694) 2.939 5.736 ( -0.998 2.185 -1.694) 2.939 6.205 ( 0.431 -4.359 -0.586) 4.420 6.205 ( 0.431 4.359 -0.586) 4.420 6.320 ( -0.168 -8.094 -1.304) 8.200 6.320 ( -0.168 8.094 -1.304) 8.200 6.666 ( -1.198 -6.190 -1.695) 6.528 6.666 ( -1.198 6.190 -1.695) 6.528 7.144 ( -2.191 -3.049 2.413) 4.464 7.144 ( -2.191 3.049 2.413) 4.464 7.311 ( -4.087 -3.912 -1.071) 5.758 7.311 ( -4.087 3.912 -1.071) 5.758 7.580 ( -1.309 -1.354 0.087) 1.885 7.580 ( -1.309 1.354 0.087) 1.885 7.702 ( 6.418 -6.066 -2.217) 9.106 7.702 ( 6.418 6.066 -2.217) 9.106 7.880 ( 1.986 -4.641 -1.075) 5.161 7.880 ( 1.986 4.641 -1.075) 5.161 8.239 ( -2.716 -5.376 0.793) 6.075 8.239 ( -2.716 5.376 0.793) 6.075 8.658 ( -1.328 -1.904 -0.962) 2.513 8.658 ( -1.328 1.904 -0.962) 2.513 8.911 ( -1.895 -2.181 -0.199) 2.896 8.911 ( -1.895 2.181 -0.199) 2.896 9.342 ( -5.892 -1.720 4.340) 7.517 9.342 ( -5.892 1.720 4.340) 7.517 9.485 ( 4.910 -4.115 -4.667) 7.926 9.485 ( 4.910 4.115 -4.667) 7.926 9.897 ( -0.583 -1.804 -1.665) 2.523 9.897 ( -0.583 1.804 -1.665) 2.523 10.182 ( -0.340 -1.047 1.858) 2.159 10.182 ( -0.340 1.047 1.858) 2.159 10.908 ( 1.837 -2.830 -7.923) 8.611 10.908 ( 1.837 2.830 -7.923) 8.611 11.233 ( 0.169 -1.754 8.869) 9.043 11.233 ( 0.169 1.754 8.869) 9.043 12.320 ( 0.559 -14.309 1.057) 14.359 12.320 ( 0.559 14.309 1.057) 14.359 13.055 ( -10.032 -5.176 -4.094) 12.008 13.055 ( -10.032 5.176 -4.094) 12.008 13.571 ( -1.634 -2.522 -1.953) 3.584 13.571 ( -1.634 2.522 -1.953) 3.584 13.739 ( 0.050 -3.570 -0.970) 3.700 13.739 ( 0.050 3.570 -0.970) 3.700 14.681 ( 0.173 -5.209 0.232) 5.217 14.681 ( 0.173 5.209 0.232) 5.217 14.798 ( 0.048 -1.565 -0.476) 1.636 14.798 ( 0.048 1.565 -0.476) 1.636 15.390 ( 2.208 -3.367 0.514) 4.059 15.390 ( 2.208 3.367 0.514) 4.059 15.935 ( -0.526 -3.020 -0.785) 3.165 15.935 ( -0.526 3.020 -0.785) 3.165 16.046 ( 0.534 -3.786 -0.928) 3.935 16.046 ( 0.534 3.786 -0.928) 3.935 16.603 ( -1.594 -5.785 1.081) 6.098 16.603 ( -1.594 5.785 1.081) 6.098 17.192 ( -0.293 -1.940 0.437) 2.010 17.192 ( -0.293 1.940 0.437) 2.010 17.769 ( -5.008 -2.739 1.111) 5.815 17.769 ( -5.008 2.739 1.111) 5.815 17.976 ( -10.027 -9.799 -12.075) 18.503 17.976 ( -10.027 9.799 -12.075) 18.503 18.184 ( -5.349 -3.893 0.847) 6.669 18.184 ( -5.349 3.893 0.847) 6.669 19.092 ( -0.850 -5.452 4.389) 7.051 19.092 ( -0.850 5.452 4.389) 7.051 19.653 ( 7.195 -4.824 1.543) 8.799 19.653 ( 7.195 4.824 1.543) 8.799 20.106 ( -1.447 -0.770 0.022) 1.640 20.106 ( -1.447 0.770 0.022) 1.640 20.306 ( 3.009 -2.903 1.279) 4.372 20.306 ( 3.009 2.903 1.279) 4.372 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 7.278 -1.615 -0.955) 7.516 0.696 ( 7.278 1.615 -0.955) 7.516 0.981 ( 8.405 -9.958 -1.516) 13.119 0.981 ( 8.405 9.958 -1.516) 13.119 1.260 ( 5.264 -8.810 -0.747) 10.290 1.260 ( 5.264 8.810 -0.747) 10.290 1.465 ( -4.146 -3.981 -6.178) 8.438 1.465 ( -4.146 3.981 -6.178) 8.438 1.709 ( 0.315 -1.422 -0.886) 1.704 1.709 ( 0.315 1.422 -0.886) 1.704 1.932 ( 0.159 -1.381 -1.238) 1.861 1.932 ( 0.159 1.381 -1.238) 1.861 2.127 ( -4.319 -1.505 4.901) 6.704 2.127 ( -4.319 1.505 4.901) 6.704 2.292 ( 1.860 -1.717 -2.017) 3.237 2.292 ( 1.860 1.717 -2.017) 3.237 2.361 ( 3.874 -8.677 0.148) 9.503 2.361 ( 3.874 8.677 0.148) 9.503 2.441 ( -0.081 -2.321 -3.008) 3.801 2.441 ( -0.081 2.321 -3.008) 3.801 2.622 ( -2.498 -2.708 3.825) 5.310 2.622 ( -2.498 2.708 3.825) 5.310 2.732 ( -0.599 -1.924 -2.106) 2.915 2.732 ( -0.599 1.924 -2.106) 2.915 2.897 ( -2.819 -1.933 0.994) 3.560 2.897 ( -2.819 1.933 0.994) 3.560 3.030 ( -0.207 -7.858 3.453) 8.586 3.030 ( -0.207 7.858 3.453) 8.586 3.261 ( 1.976 -0.814 -1.914) 2.869 3.261 ( 1.976 0.814 -1.914) 2.869 3.456 ( -2.653 -2.772 -4.105) 5.619 3.456 ( -2.653 2.772 -4.105) 5.619 3.570 ( -1.343 -3.769 6.711) 7.813 3.570 ( -1.343 3.769 6.711) 7.813 3.934 ( 0.200 -5.972 3.498) 6.924 3.934 ( 0.200 5.972 3.498) 6.924 3.998 ( 3.933 -14.475 -1.005) 15.033 3.998 ( 3.933 14.475 -1.005) 15.033 4.505 ( -1.636 -4.195 1.526) 4.754 4.505 ( -1.636 4.195 1.526) 4.754 4.796 ( 0.760 -9.654 0.770) 9.714 4.796 ( 0.760 9.654 0.770) 9.714 4.976 ( 5.599 -3.709 -0.964) 6.785 4.976 ( 5.599 3.709 -0.964) 6.785 5.269 ( -0.919 -1.802 -4.398) 4.841 5.269 ( -0.919 1.802 -4.398) 4.841 5.467 ( 1.751 -4.066 1.458) 4.661 5.467 ( 1.751 4.066 1.458) 4.661 5.688 ( -2.095 -3.240 -2.693) 4.706 5.688 ( -2.095 3.240 -2.693) 4.706 6.206 ( 0.378 -4.970 -0.614) 5.022 6.206 ( 0.378 4.970 -0.614) 5.022 6.302 ( 0.101 -8.399 -2.126) 8.665 6.302 ( 0.101 8.399 -2.126) 8.665 6.615 ( -2.279 -8.624 -2.330) 9.219 6.615 ( -2.279 8.624 -2.330) 9.219 7.102 ( -5.090 -2.678 0.546) 5.777 7.102 ( -5.090 2.678 0.546) 5.777 7.260 ( -0.542 -4.478 0.016) 4.510 7.260 ( -0.542 4.478 0.016) 4.510 7.544 ( -3.158 -0.857 0.666) 3.339 7.544 ( -3.158 0.857 0.666) 3.339 7.788 ( 5.922 -5.943 -2.558) 8.771 7.788 ( 5.922 5.943 -2.558) 8.771 7.906 ( 2.656 -6.458 -2.125) 7.299 7.906 ( 2.656 6.458 -2.125) 7.299 8.198 ( -2.827 -4.242 1.498) 5.313 8.198 ( -2.827 4.242 1.498) 5.313 8.618 ( -1.749 -2.773 -1.649) 3.670 8.618 ( -1.749 2.773 -1.649) 3.670 8.868 ( -2.861 -5.611 0.119) 6.300 8.868 ( -2.861 5.611 0.119) 6.300 9.288 ( -5.240 -1.702 4.217) 6.938 9.288 ( -5.240 1.702 4.217) 6.938 9.523 ( 5.146 -5.075 -5.168) 8.885 9.523 ( 5.146 5.075 -5.168) 8.885 9.857 ( -1.722 -1.193 -2.271) 3.090 9.857 ( -1.722 1.193 -2.271) 3.090 10.201 ( -0.299 -1.289 3.099) 3.370 10.201 ( -0.299 1.289 3.099) 3.370 10.876 ( 2.890 -3.731 -6.534) 8.060 10.876 ( 2.890 3.731 -6.534) 8.060 11.334 ( 1.159 -1.442 9.298) 9.481 11.334 ( 1.159 1.442 9.298) 9.481 12.347 ( 0.859 -14.911 1.758) 15.039 12.347 ( 0.859 14.911 1.758) 15.039 12.814 ( -11.681 -17.246 -5.035) 21.429 12.814 ( -11.681 17.246 -5.035) 21.429 13.531 ( -0.789 -1.551 -2.125) 2.747 13.531 ( -0.789 1.551 -2.125) 2.747 13.727 ( -0.440 -3.547 -0.725) 3.647 13.727 ( -0.440 3.547 -0.725) 3.647 14.677 ( -0.537 -3.592 -0.416) 3.656 14.677 ( -0.537 3.592 -0.416) 3.656 14.812 ( 1.646 -0.703 0.398) 1.834 14.812 ( 1.646 0.703 0.398) 1.834 15.430 ( 2.189 -3.807 -0.532) 4.423 15.430 ( 2.189 3.807 -0.532) 4.423 15.915 ( -0.116 -4.303 -1.848) 4.684 15.915 ( -0.116 4.303 -1.848) 4.684 16.053 ( 0.989 -2.781 0.038) 2.952 16.053 ( 0.989 2.781 0.038) 2.952 16.585 ( -2.097 -4.855 1.909) 5.623 16.585 ( -2.097 4.855 1.909) 5.623 17.188 ( -1.031 -2.508 0.786) 2.824 17.188 ( -1.031 2.508 0.786) 2.824 17.515 ( -15.012 -20.438 -8.882) 26.869 17.515 ( -15.012 20.438 -8.882) 26.869 17.822 ( -0.876 -2.570 -2.917) 3.985 17.822 ( -0.876 2.570 -2.917) 3.985 18.184 ( -0.763 -3.027 4.904) 5.813 18.184 ( -0.763 3.027 4.904) 5.813 19.132 ( 0.122 -1.405 4.943) 5.141 19.132 ( 0.122 1.405 4.943) 5.141 19.733 ( 2.173 -3.514 -1.921) 4.557 19.733 ( 2.173 3.514 -1.921) 4.557 20.088 ( -0.631 -3.435 0.787) 3.580 20.088 ( -0.631 3.435 0.787) 3.580 20.374 ( 2.840 -3.085 1.977) 4.636 20.374 ( 2.840 3.085 1.977) 4.636 ======================= Grid point 28 (16/96) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 6.414 -2.014 -1.764) 6.950 0.798 ( 6.414 2.014 -1.764) 6.950 1.119 ( 7.581 -9.880 1.077) 12.499 1.119 ( 7.581 9.880 1.077) 12.499 1.333 ( 0.214 -1.470 -3.438) 3.746 1.333 ( 0.214 1.470 -3.438) 3.746 1.363 ( 2.206 -6.346 -2.980) 7.350 1.363 ( 2.206 6.346 -2.980) 7.350 1.717 ( 1.286 -2.718 0.093) 3.009 1.717 ( 1.286 2.718 0.093) 3.009 1.904 ( -2.319 -3.851 0.169) 4.499 1.904 ( -2.319 3.851 0.169) 4.499 2.110 ( -1.235 -2.508 1.656) 3.249 2.110 ( -1.235 2.508 1.656) 3.249 2.292 ( 0.829 -0.888 -4.217) 4.389 2.292 ( 0.829 0.888 -4.217) 4.389 2.343 ( -0.668 -1.740 -4.168) 4.566 2.343 ( -0.668 1.740 -4.168) 4.566 2.446 ( 0.118 -5.494 -0.951) 5.577 2.446 ( 0.118 5.494 -0.951) 5.577 2.619 ( -3.778 -1.707 7.659) 8.709 2.619 ( -3.778 1.707 7.659) 8.709 2.725 ( 2.205 -3.403 -2.786) 4.920 2.725 ( 2.205 3.403 -2.786) 4.920 2.873 ( -0.274 -2.769 0.189) 2.789 2.873 ( -0.274 2.769 0.189) 2.789 3.029 ( -5.029 -5.034 3.166) 7.788 3.029 ( -5.029 5.034 3.166) 7.788 3.265 ( 0.487 -1.533 -0.018) 1.608 3.265 ( 0.487 1.533 -0.018) 1.608 3.432 ( 3.434 -2.596 0.015) 4.305 3.432 ( 3.434 2.596 0.015) 4.305 3.641 ( 1.116 -4.514 5.712) 7.365 3.641 ( 1.116 4.514 5.712) 7.365 3.962 ( -0.871 -6.483 3.693) 7.512 3.962 ( -0.871 6.483 3.693) 7.512 4.058 ( 4.039 -15.962 -0.950) 16.493 4.058 ( 4.039 15.962 -0.950) 16.493 4.496 ( -0.900 -4.681 0.990) 4.868 4.496 ( -0.900 4.681 0.990) 4.868 4.817 ( 0.911 -11.150 0.580) 11.202 4.817 ( 0.911 11.150 0.580) 11.202 5.051 ( 4.846 -3.808 -1.779) 6.415 5.051 ( 4.846 3.808 -1.779) 6.415 5.204 ( -2.049 -1.872 -3.535) 4.494 5.204 ( -2.049 1.872 -3.535) 4.494 5.501 ( 0.956 -3.024 0.189) 3.177 5.501 ( 0.956 3.024 0.189) 3.177 5.625 ( -1.988 -3.332 -2.622) 4.683 5.625 ( -1.988 3.332 -2.622) 4.683 6.208 ( 0.260 -5.314 -0.100) 5.321 6.208 ( 0.260 5.314 -0.100) 5.321 6.283 ( 0.224 -7.821 -2.292) 8.153 6.283 ( 0.224 7.821 -2.292) 8.153 6.556 ( -2.254 -10.309 -1.597) 10.673 6.556 ( -2.254 10.309 -1.597) 10.673 7.004 ( -5.035 -2.625 -2.017) 6.026 7.004 ( -5.035 2.625 -2.017) 6.026 7.276 ( 1.263 -4.183 0.662) 4.419 7.276 ( 1.263 4.183 0.662) 4.419 7.495 ( -3.666 -1.488 1.332) 4.175 7.495 ( -3.666 1.488 1.332) 4.175 7.840 ( 2.724 -4.176 -1.881) 5.329 7.840 ( 2.724 4.176 -1.881) 5.329 7.917 ( 0.965 -4.889 -1.912) 5.338 7.917 ( 0.965 4.889 -1.912) 5.338 8.192 ( 0.396 -4.717 1.503) 4.966 8.192 ( 0.396 4.717 1.503) 4.966 8.575 ( -1.289 -3.017 -1.690) 3.691 8.575 ( -1.289 3.017 -1.690) 3.691 8.826 ( -2.373 -8.102 0.405) 8.452 8.826 ( -2.373 8.102 0.405) 8.452 9.249 ( -3.796 -1.005 3.284) 5.119 9.249 ( -3.796 1.005 3.284) 5.119 9.551 ( 3.960 -4.481 -5.243) 7.953 9.551 ( 3.960 4.481 -5.243) 7.953 9.808 ( -1.821 -1.176 -1.084) 2.424 9.808 ( -1.821 1.176 -1.084) 2.424 10.227 ( -0.215 -1.646 2.900) 3.342 10.227 ( -0.215 1.646 2.900) 3.342 10.879 ( 2.886 -5.304 -3.270) 6.867 10.879 ( 2.886 5.304 -3.270) 6.867 11.441 ( 1.921 -1.168 7.064) 7.413 11.441 ( 1.921 1.168 7.064) 7.413 12.376 ( 0.527 -15.618 1.371) 15.687 12.376 ( 0.527 15.618 1.371) 15.687 12.610 ( -7.524 -22.039 -2.948) 23.474 12.610 ( -7.524 22.039 -2.948) 23.474 13.502 ( -0.605 -1.259 -1.601) 2.125 13.502 ( -0.605 1.259 -1.601) 2.125 13.715 ( -0.282 -3.533 -0.450) 3.573 13.715 ( -0.282 3.533 -0.450) 3.573 14.659 ( -0.723 -2.390 -0.885) 2.649 14.659 ( -0.723 2.390 -0.885) 2.649 14.851 ( 2.035 -1.587 0.855) 2.719 14.851 ( 2.035 1.587 0.855) 2.719 15.447 ( 1.068 -2.426 -1.533) 3.062 15.447 ( 1.068 2.426 -1.533) 3.062 15.900 ( 0.620 -5.371 -2.035) 5.777 15.900 ( 0.620 5.371 -2.035) 5.777 16.081 ( 1.560 -1.916 1.331) 2.807 16.081 ( 1.560 1.916 1.331) 2.807 16.576 ( -1.333 -4.961 2.417) 5.677 16.576 ( -1.333 4.961 2.417) 5.677 17.148 ( -6.001 -11.947 -0.583) 13.382 17.148 ( -6.001 11.947 -0.583) 13.382 17.256 ( -4.891 -10.795 -6.535) 13.534 17.256 ( -4.891 10.795 -6.535) 13.534 17.789 ( -1.307 -1.730 -0.826) 2.320 17.789 ( -1.307 1.730 -0.826) 2.320 18.225 ( -0.065 -4.038 4.499) 6.045 18.225 ( -0.065 4.038 4.499) 6.045 19.187 ( 0.601 -1.985 5.028) 5.439 19.187 ( 0.601 1.985 5.028) 5.439 19.700 ( -1.799 -1.283 -4.256) 4.796 19.700 ( -1.799 1.283 -4.256) 4.796 20.104 ( 1.051 -5.683 1.319) 5.928 20.104 ( 1.051 5.683 1.319) 5.928 20.432 ( 1.830 -2.747 2.026) 3.873 20.432 ( 1.830 2.747 2.026) 3.873 ======================= Grid point 30 (17/96) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.082 -2.477 -1.075) 4.895 0.874 ( 4.082 2.477 -1.075) 4.895 1.214 ( 1.403 -6.424 -1.349) 6.712 1.214 ( 1.403 6.424 -1.349) 6.712 1.282 ( 1.004 -4.173 0.158) 4.295 1.282 ( 1.004 4.173 0.158) 4.295 1.403 ( 2.732 -3.463 -2.945) 5.303 1.403 ( 2.732 3.463 -2.945) 5.303 1.755 ( 1.093 -6.008 2.523) 6.607 1.755 ( 1.093 6.008 2.523) 6.607 1.876 ( -1.127 -4.489 0.785) 4.694 1.876 ( -1.127 4.489 0.785) 4.694 2.110 ( 0.198 -5.002 -0.733) 5.059 2.110 ( 0.198 5.002 -0.733) 5.059 2.240 ( -1.530 -1.922 -3.490) 4.268 2.240 ( -1.530 1.922 -3.489) 4.268 2.308 ( 0.360 -3.288 -2.054) 3.894 2.308 ( 0.360 3.288 -2.054) 3.894 2.412 ( -1.975 -3.718 -1.647) 4.521 2.412 ( -1.975 3.718 -1.647) 4.521 2.652 ( 0.050 -2.786 4.995) 5.720 2.652 ( 0.050 2.786 4.995) 5.720 2.730 ( 0.627 -2.776 -1.555) 3.243 2.730 ( 0.627 2.776 -1.555) 3.243 2.888 ( 2.381 -3.415 -1.909) 4.580 2.888 ( 2.381 3.415 -1.909) 4.580 2.952 ( -6.387 -5.846 3.479) 9.331 2.952 ( -6.387 5.846 3.479) 9.331 3.284 ( 0.549 -0.626 1.182) 1.446 3.284 ( 0.549 0.626 1.182) 1.446 3.520 ( 4.470 -4.751 1.539) 6.703 3.520 ( 4.470 4.751 1.539) 6.703 3.700 ( 0.591 -3.277 3.287) 4.678 3.700 ( 0.591 3.277 3.287) 4.678 3.974 ( -0.637 -4.862 1.378) 5.094 3.974 ( -0.637 4.862 1.378) 5.094 4.109 ( 2.307 -15.606 0.346) 15.779 4.109 ( 2.307 15.606 0.346) 15.779 4.496 ( -0.170 -4.872 0.756) 4.934 4.496 ( -0.170 4.872 0.756) 4.934 4.834 ( 0.700 -12.044 0.005) 12.064 4.834 ( 0.700 12.044 0.005) 12.064 5.090 ( 1.590 -1.969 -2.646) 3.662 5.090 ( 1.590 1.969 -2.646) 3.662 5.155 ( -0.451 -3.672 -0.780) 3.781 5.155 ( -0.451 3.672 -0.780) 3.781 5.495 ( -1.014 -2.138 -0.679) 2.462 5.495 ( -1.014 2.138 -0.679) 2.462 5.587 ( -0.160 -1.554 -1.344) 2.061 5.587 ( -0.160 1.554 -1.344) 2.061 6.213 ( 0.104 -5.360 0.544) 5.389 6.213 ( 0.104 5.360 0.544) 5.389 6.267 ( 0.162 -6.785 -1.763) 7.012 6.267 ( 0.162 6.785 -1.763) 7.012 6.515 ( -1.313 -10.951 -0.641) 11.048 6.515 ( -1.313 10.951 -0.641) 11.048 6.913 ( -3.096 -3.741 -1.855) 5.198 6.913 ( -3.096 3.741 -1.855) 5.198 7.299 ( 1.058 -3.332 -0.317) 3.511 7.299 ( 1.058 3.332 -0.317) 3.511 7.457 ( -2.368 -1.850 1.551) 3.381 7.457 ( -2.368 1.850 1.551) 3.381 7.842 ( -0.238 -0.450 -1.224) 1.326 7.842 ( -0.238 0.450 -1.224) 1.326 7.918 ( 0.806 -1.289 -0.643) 1.651 7.918 ( 0.806 1.289 -0.643) 1.651 8.224 ( 1.481 -4.005 0.853) 4.354 8.224 ( 1.481 4.005 0.853) 4.354 8.547 ( -0.521 -2.107 -1.017) 2.397 8.547 ( -0.521 2.107 -1.017) 2.397 8.799 ( -1.232 -9.213 0.250) 9.299 8.799 ( -1.232 9.213 0.250) 9.299 9.223 ( -2.230 -0.427 1.835) 2.919 9.223 ( -2.230 0.427 1.835) 2.919 9.553 ( 1.571 -2.263 -3.702) 4.614 9.553 ( 1.571 2.263 -3.702) 4.614 9.784 ( -0.481 -1.180 0.056) 1.276 9.784 ( -0.481 1.180 0.056) 1.276 10.246 ( -0.160 -1.940 1.661) 2.559 10.246 ( -0.160 1.940 1.661) 2.559 10.900 ( 1.779 -6.459 -1.073) 6.785 10.900 ( 1.779 6.459 -1.073) 6.785 11.524 ( 1.518 -0.909 3.795) 4.187 11.524 ( 1.518 0.909 3.795) 4.187 12.380 ( -0.698 -16.986 -0.325) 17.004 12.380 ( -0.698 16.986 -0.325) 17.004 12.514 ( -2.474 -21.743 -0.069) 21.883 12.514 ( -2.474 21.743 -0.069) 21.883 13.481 ( -0.469 -1.291 -0.811) 1.595 13.481 ( -0.469 1.291 -0.811) 1.595 13.710 ( 0.029 -3.590 -0.266) 3.600 13.710 ( 0.029 3.590 -0.266) 3.600 14.641 ( -0.448 -2.288 -0.687) 2.430 14.641 ( -0.448 2.288 -0.687) 2.430 14.887 ( 1.245 -2.047 0.607) 2.471 14.887 ( 1.245 2.047 0.607) 2.471 15.442 ( 0.210 -1.032 -1.288) 1.664 15.442 ( 0.210 1.032 -1.288) 1.664 15.896 ( 0.642 -6.002 -1.255) 6.165 15.896 ( 0.642 6.002 -1.255) 6.165 16.123 ( 1.489 -2.034 1.291) 2.832 16.123 ( 1.489 2.034 1.291) 2.832 16.587 ( -0.148 -6.679 2.245) 7.048 16.587 ( -0.148 6.679 2.245) 7.048 17.004 ( -5.879 -20.707 -3.248) 21.769 17.004 ( -5.879 20.707 -3.248) 21.769 17.199 ( -0.413 -0.160 -1.478) 1.543 17.199 ( -0.413 0.160 -1.478) 1.543 17.763 ( -1.015 -1.428 -0.310) 1.779 17.763 ( -1.015 1.428 -0.310) 1.779 18.260 ( 0.065 -4.541 2.580) 5.224 18.260 ( 0.065 4.541 2.580) 5.224 19.243 ( 0.645 -4.293 3.965) 5.879 19.243 ( 0.645 4.293 3.965) 5.879 19.621 ( -2.185 -0.894 -3.845) 4.512 19.621 ( -2.185 0.894 -3.845) 4.512 20.135 ( 1.026 -5.443 0.879) 5.608 20.135 ( 1.026 5.443 0.879) 5.608 20.472 ( 0.930 -2.178 1.303) 2.703 20.472 ( 0.930 2.178 1.303) 2.703 ======================= Grid point 32 (18/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.000 -2.780 0.000) 2.780 0.905 ( 0.000 2.780 0.000) 2.780 1.198 ( 0.000 -0.077 0.000) 0.077 1.198 ( 0.000 0.077 0.000) 0.077 1.313 ( 0.000 -4.595 -0.000) 4.595 1.313 ( 0.000 4.595 0.000) 4.595 1.408 ( 0.000 -7.816 -0.000) 7.816 1.408 ( 0.000 7.816 0.000) 7.816 1.776 ( 0.000 -6.373 0.000) 6.373 1.776 ( 0.000 6.373 0.000) 6.373 1.878 ( 0.000 -4.585 0.000) 4.585 1.878 ( 0.000 4.585 0.000) 4.585 2.102 ( 0.000 -5.420 0.000) 5.420 2.102 ( 0.000 5.420 0.000) 5.420 2.208 ( -0.000 -4.404 0.000) 4.404 2.208 ( 0.000 4.404 0.000) 4.404 2.307 ( 0.000 -2.134 -0.000) 2.134 2.307 ( 0.000 2.134 -0.000) 2.134 2.379 ( -0.000 -3.470 0.000) 3.470 2.379 ( 0.000 3.470 -0.000) 3.470 2.690 ( 0.000 -3.428 0.000) 3.428 2.690 ( 0.000 3.428 0.000) 3.428 2.719 ( 0.000 -2.442 -0.000) 2.442 2.719 ( -0.000 2.442 -0.000) 2.442 2.897 ( 0.000 -3.452 -0.000) 3.452 2.897 ( -0.000 3.452 0.000) 3.452 2.916 ( -0.000 -5.154 0.000) 5.154 2.916 ( 0.000 5.154 -0.000) 5.154 3.295 ( 0.000 -0.370 0.000) 0.370 3.295 ( 0.000 0.370 0.000) 0.370 3.570 ( 0.000 -4.840 0.000) 4.840 3.570 ( 0.000 4.840 0.000) 4.840 3.721 ( 0.000 -2.083 0.000) 2.083 3.721 ( 0.000 2.083 0.000) 2.083 3.973 ( 0.000 -4.482 0.000) 4.482 3.973 ( 0.000 4.482 0.000) 4.482 4.132 ( 0.000 -15.843 0.000) 15.843 4.132 ( 0.000 15.843 0.000) 15.843 4.500 ( 0.000 -4.747 0.000) 4.747 4.500 ( 0.000 4.747 0.000) 4.747 4.840 ( 0.000 -12.309 0.000) 12.309 4.840 ( 0.000 12.309 0.000) 12.309 5.079 ( 0.000 -2.761 0.000) 2.761 5.079 ( 0.000 2.761 -0.000) 2.761 5.157 ( 0.000 -3.239 0.000) 3.239 5.157 ( 0.000 3.239 -0.000) 3.239 5.479 ( 0.000 -2.941 0.000) 2.941 5.479 ( 0.000 2.941 0.000) 2.941 5.582 ( 0.000 -0.699 0.000) 0.699 5.582 ( 0.000 0.699 0.000) 0.699 6.218 ( 0.000 -5.270 0.000) 5.270 6.218 ( 0.000 5.270 0.000) 5.270 6.259 ( 0.000 -6.426 0.000) 6.426 6.259 ( 0.000 6.426 -0.000) 6.426 6.501 ( 0.000 -11.041 0.000) 11.041 6.501 ( 0.000 11.041 0.000) 11.041 6.877 ( 0.000 -3.924 0.000) 3.924 6.877 ( 0.000 3.924 0.000) 3.924 7.305 ( 0.000 -0.497 0.000) 0.497 7.305 ( 0.000 0.497 0.000) 0.497 7.445 ( 0.000 -1.161 0.000) 1.161 7.445 ( 0.000 1.161 0.000) 1.161 7.831 ( 0.000 -1.254 0.000) 1.254 7.831 ( 0.000 1.254 0.000) 1.254 7.923 ( 0.000 -0.312 0.000) 0.312 7.923 ( 0.000 0.312 0.000) 0.312 8.242 ( 0.000 -3.233 0.000) 3.233 8.242 ( 0.000 3.233 0.000) 3.233 8.538 ( 0.000 -0.587 0.000) 0.587 8.538 ( 0.000 0.587 0.000) 0.587 8.790 ( 0.000 -9.544 0.000) 9.544 8.790 ( 0.000 9.544 0.000) 9.544 9.213 ( 0.000 -0.955 0.000) 0.955 9.213 ( 0.000 0.955 0.000) 0.955 9.546 ( 0.000 -0.233 0.000) 0.233 9.546 ( 0.000 0.233 -0.000) 0.233 9.783 ( 0.000 -1.084 0.000) 1.084 9.783 ( 0.000 1.084 0.000) 1.084 10.253 ( 0.000 -2.034 0.000) 2.034 10.253 ( 0.000 2.034 0.000) 2.034 10.910 ( 0.000 -6.863 0.000) 6.863 10.910 ( 0.000 6.863 0.000) 6.863 11.556 ( 0.000 -0.854 0.000) 0.854 11.556 ( 0.000 0.854 0.000) 0.854 12.367 ( 0.000 -18.066 0.000) 18.066 12.367 ( 0.000 18.066 0.000) 18.066 12.499 ( 0.000 -20.859 0.000) 20.859 12.499 ( 0.000 20.859 0.000) 20.859 13.473 ( 0.000 -1.293 0.000) 1.293 13.473 ( 0.000 1.293 0.000) 1.293 13.709 ( 0.000 -3.627 -0.000) 3.627 13.709 ( 0.000 3.627 0.000) 3.627 14.634 ( 0.000 -2.356 0.000) 2.356 14.634 ( 0.000 2.356 0.000) 2.356 14.901 ( 0.000 -2.185 0.000) 2.185 14.901 ( 0.000 2.185 0.000) 2.185 15.437 ( 0.000 -0.501 0.000) 0.501 15.437 ( 0.000 0.501 0.000) 0.501 15.896 ( 0.000 -6.211 0.000) 6.211 15.896 ( 0.000 6.211 0.000) 6.211 16.143 ( 0.000 -2.298 0.000) 2.298 16.143 ( 0.000 2.298 0.000) 2.298 16.601 ( 0.000 -8.387 0.000) 8.387 16.601 ( 0.000 8.387 0.000) 8.387 16.934 ( 0.000 -21.310 0.000) 21.310 16.934 ( 0.000 21.310 0.000) 21.310 17.188 ( 0.000 -0.620 0.000) 0.620 17.188 ( 0.000 0.620 0.000) 0.620 17.752 ( 0.000 -1.294 0.000) 1.294 17.752 ( 0.000 1.294 0.000) 1.294 18.273 ( 0.000 -4.649 0.000) 4.649 18.273 ( 0.000 4.649 0.000) 4.649 19.270 ( 0.000 -5.256 0.000) 5.256 19.270 ( 0.000 5.256 0.000) 5.256 19.579 ( 0.000 -0.309 0.000) 0.309 19.579 ( 0.000 0.309 0.000) 0.309 20.148 ( 0.000 -5.131 0.000) 5.131 20.148 ( 0.000 5.131 0.000) 5.131 20.486 ( 0.000 -1.849 0.000) 1.849 20.486 ( 0.000 1.849 0.000) 1.849 ======================= Grid point 55 (19/96) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 2.262 0.000 21.093) 21.214 0.515 ( -0.354 0.000 22.057) 22.060 0.711 ( -5.769 0.000 31.129) 31.659 0.854 ( -5.322 0.000 5.252) 7.477 1.027 ( -3.294 0.000 4.523) 5.595 1.161 ( -2.931 0.000 0.686) 3.010 1.483 ( -3.613 0.000 -5.313) 6.425 1.548 ( 1.272 0.000 1.777) 2.186 1.640 ( -0.928 0.000 -1.520) 1.781 1.779 ( 0.572 0.000 -1.936) 2.019 1.850 ( 4.143 0.000 -6.735) 7.908 1.963 ( 5.508 0.000 -3.323) 6.432 2.033 ( -2.496 0.000 2.810) 3.758 2.056 ( -1.635 0.000 -2.969) 3.390 2.113 ( -4.082 0.000 -2.641) 4.862 2.281 ( 1.057 0.000 -9.693) 9.750 2.314 ( -0.393 0.000 1.010) 1.084 2.469 ( 1.873 0.000 -8.283) 8.493 2.496 ( 2.931 0.000 0.652) 3.002 2.510 ( -4.938 0.000 9.205) 10.446 2.526 ( 6.861 0.000 -3.283) 7.606 2.643 ( -2.629 0.000 -0.149) 2.633 2.793 ( -3.260 0.000 0.794) 3.355 2.892 ( 1.585 0.000 1.209) 1.994 2.919 ( 2.228 0.000 1.961) 2.968 3.029 ( -3.449 0.000 9.798) 10.388 3.045 ( -1.360 0.000 2.022) 2.436 3.100 ( 2.151 0.000 -4.217) 4.734 3.154 ( 1.463 0.000 -3.561) 3.850 3.220 ( -0.732 0.000 1.086) 1.310 3.355 ( -1.512 0.000 -5.862) 6.054 3.393 ( -3.263 0.000 -0.362) 3.283 3.630 ( 3.571 0.000 -0.287) 3.583 3.692 ( 1.851 0.000 -3.657) 4.099 3.763 ( -0.484 0.000 4.031) 4.060 3.942 ( -5.148 0.000 8.987) 10.357 4.127 ( -3.562 0.000 4.281) 5.569 4.316 ( 6.055 0.000 2.846) 6.691 4.490 ( 0.468 0.000 0.347) 0.583 4.678 ( 0.955 0.000 -4.149) 4.258 4.827 ( 0.921 0.000 -3.189) 3.319 4.866 ( 5.394 0.000 -4.558) 7.062 4.991 ( -1.257 0.000 3.468) 3.688 5.080 ( -3.821 0.000 -2.719) 4.690 5.104 ( 7.750 0.000 -3.605) 8.547 5.231 ( -3.141 0.000 1.654) 3.550 5.384 ( 0.816 0.000 -6.579) 6.629 5.618 ( 0.796 0.000 -3.512) 3.602 5.655 ( -4.151 0.000 3.128) 5.198 5.670 ( -2.549 0.000 2.732) 3.736 6.042 ( -1.914 0.000 -0.789) 2.070 6.276 ( 0.173 0.000 -8.378) 8.380 6.281 ( 0.134 0.000 -0.967) 0.976 6.316 ( -2.026 0.000 -4.598) 5.024 6.569 ( 0.048 0.000 1.935) 1.936 6.899 ( -1.178 0.000 3.498) 3.691 6.919 ( 0.612 0.000 0.569) 0.836 7.058 ( 0.879 0.000 1.996) 2.181 7.251 ( 5.261 0.000 3.471) 6.302 7.379 ( -4.826 0.000 -0.385) 4.842 7.493 ( -8.559 0.000 1.902) 8.767 7.592 ( -8.359 0.000 3.403) 9.025 7.627 ( -1.445 0.000 2.902) 3.242 7.698 ( -2.518 0.000 1.005) 2.711 8.037 ( -1.356 0.000 -0.239) 1.377 8.059 ( 3.146 0.000 -1.979) 3.717 8.216 ( 0.539 0.000 -0.023) 0.539 8.513 ( -0.470 0.000 -2.800) 2.839 8.567 ( -2.677 0.000 -0.435) 2.712 8.619 ( -5.819 0.000 0.872) 5.884 8.677 ( -0.193 0.000 5.224) 5.228 9.071 ( -1.393 0.000 1.383) 1.963 9.316 ( -0.652 0.000 4.686) 4.731 9.478 ( 2.667 0.000 0.781) 2.779 9.584 ( 0.397 0.000 1.025) 1.099 9.691 ( 2.820 0.000 -10.922) 11.280 9.992 ( -0.488 0.000 -2.252) 2.304 10.006 ( -2.631 0.000 -9.137) 9.508 10.221 ( -80.825 0.000 0.705) 80.828 10.222 ( -1.196 0.000 6.281) 6.394 10.672 ( 6.720 0.000 -11.791) 13.571 10.872 ( 7.029 0.000 -9.434) 11.765 11.473 ( 1.687 0.000 7.032) 7.231 11.540 ( -5.267 0.000 8.958) 10.392 11.572 ( -4.241 0.000 7.191) 8.348 11.871 ( 0.059 0.000 0.082) 0.101 12.712 ( 1.443 0.000 0.680) 1.595 13.017 ( -7.326 0.000 -2.876) 7.870 13.504 ( 2.605 0.000 -3.543) 4.398 13.553 ( 2.597 0.000 -3.558) 4.405 13.726 ( -3.068 0.000 5.715) 6.486 13.862 ( -1.172 0.000 2.032) 2.346 14.585 ( 0.908 0.000 1.677) 1.907 14.696 ( 3.255 0.000 -4.393) 5.468 14.748 ( 1.978 0.000 -3.258) 3.812 14.866 ( -0.504 0.000 -1.679) 1.754 15.266 ( 0.606 0.000 0.313) 0.682 15.355 ( 5.109 0.000 -1.686) 5.380 15.864 ( -2.080 0.000 4.008) 4.516 15.974 ( -0.629 0.000 -0.029) 0.629 16.252 ( 1.541 0.000 -1.135) 1.914 16.258 ( -5.657 0.000 5.181) 7.671 16.434 ( 3.574 0.000 -6.039) 7.017 16.937 ( -1.278 0.000 -4.144) 4.336 17.142 ( 0.272 0.000 0.844) 0.886 17.236 ( 0.646 0.000 -0.599) 0.881 17.742 ( -17.183 0.000 -1.287) 17.231 17.750 ( 2.542 0.000 1.044) 2.748 17.864 ( -42.575 0.000 2.193) 42.632 17.975 ( 8.122 0.000 -3.106) 8.695 18.173 ( -0.606 0.000 4.045) 4.090 18.640 ( -29.398 0.000 -6.188) 30.043 19.056 ( -5.295 0.000 7.044) 8.812 19.349 ( -3.057 0.000 -0.748) 3.147 19.462 ( 2.619 0.000 0.229) 2.629 19.473 ( 29.481 0.000 -0.981) 29.497 20.172 ( 15.493 0.000 0.344) 15.497 20.182 ( -4.305 0.000 -2.144) 4.809 20.192 ( 3.991 0.000 3.415) 5.253 20.338 ( 0.240 0.000 2.918) 2.928 ======================= Grid point 56 (20/96) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -7.169 0.000 22.984) 24.076 0.684 ( -2.794 0.000 17.602) 17.822 0.819 ( -3.571 0.000 3.891) 5.281 1.097 ( 4.122 0.000 8.209) 9.185 1.120 ( -3.743 0.000 3.976) 5.460 1.168 ( 17.406 0.000 19.601) 26.214 1.369 ( -2.483 0.000 -6.317) 6.787 1.595 ( 3.291 0.000 0.883) 3.407 1.619 ( -0.277 0.000 -2.813) 2.827 1.784 ( 0.937 0.000 3.784) 3.898 1.801 ( -3.089 0.000 -4.380) 5.360 1.950 ( -5.302 0.000 -3.609) 6.414 1.968 ( -6.678 0.000 1.610) 6.870 2.002 ( 3.158 0.000 -10.021) 10.507 2.050 ( 4.112 0.000 -5.135) 6.578 2.242 ( 3.469 0.000 -6.925) 7.745 2.363 ( 2.911 0.000 2.600) 3.904 2.379 ( 1.093 0.000 -11.562) 11.613 2.446 ( -6.974 0.000 4.110) 8.095 2.547 ( 1.096 0.000 0.776) 1.343 2.597 ( -3.357 0.000 0.627) 3.415 2.644 ( 4.542 0.000 1.944) 4.941 2.733 ( -3.138 0.000 -0.443) 3.170 2.930 ( -3.639 0.000 3.228) 4.865 2.937 ( 1.235 0.000 2.468) 2.760 3.022 ( -1.045 0.000 -3.083) 3.255 3.070 ( -4.501 0.000 11.218) 12.087 3.082 ( 0.814 0.000 -4.239) 4.317 3.153 ( 1.772 0.000 -3.317) 3.761 3.233 ( 2.121 0.000 -0.291) 2.141 3.340 ( 5.319 0.000 -7.612) 9.287 3.349 ( -1.757 0.000 2.573) 3.116 3.696 ( 0.963 0.000 0.131) 0.971 3.697 ( 2.244 0.000 3.498) 4.156 3.805 ( 0.530 0.000 3.810) 3.847 3.930 ( -5.622 0.000 7.761) 9.583 4.080 ( -5.707 0.000 2.040) 6.060 4.431 ( 5.005 0.000 -0.139) 5.007 4.494 ( -0.048 0.000 -0.188) 0.194 4.595 ( -3.097 0.000 -4.275) 5.279 4.869 ( 5.703 0.000 -3.473) 6.677 4.899 ( 2.792 0.000 -2.900) 4.025 5.014 ( 0.036 0.000 -3.852) 3.852 5.039 ( 2.628 0.000 1.655) 3.106 5.140 ( -8.210 0.000 2.334) 8.535 5.210 ( 7.989 0.000 -2.050) 8.248 5.343 ( 1.695 0.000 -5.352) 5.614 5.577 ( -0.537 0.000 -5.629) 5.655 5.631 ( -1.720 0.000 2.150) 2.754 5.663 ( -2.365 0.000 4.381) 4.979 5.986 ( -3.615 0.000 -2.498) 4.394 6.125 ( -12.178 0.000 4.970) 13.153 6.227 ( -2.642 0.000 -4.756) 5.440 6.277 ( 0.597 0.000 -1.113) 1.263 6.504 ( -6.992 0.000 6.271) 9.392 6.942 ( 1.315 0.000 0.587) 1.440 6.971 ( 2.994 0.000 1.205) 3.227 7.061 ( -3.055 0.000 2.020) 3.662 7.261 ( -7.249 0.000 2.012) 7.523 7.349 ( -8.269 0.000 10.189) 13.122 7.413 ( 7.449 0.000 -4.343) 8.622 7.508 ( -5.305 0.000 5.412) 7.579 7.604 ( -4.927 0.000 3.504) 6.046 7.693 ( 0.567 0.000 0.392) 0.690 8.018 ( -0.121 0.000 -0.850) 0.859 8.055 ( -3.031 0.000 0.660) 3.102 8.212 ( -1.084 0.000 -0.032) 1.084 8.382 ( -13.944 0.000 8.321) 16.238 8.525 ( -1.987 0.000 0.034) 1.987 8.527 ( -1.668 0.000 -2.099) 2.681 8.713 ( -1.142 0.000 4.249) 4.400 9.052 ( -6.338 0.000 8.655) 10.727 9.307 ( -19.596 0.000 7.482) 20.976 9.342 ( -2.525 0.000 6.075) 6.579 9.561 ( -2.059 0.000 4.952) 5.363 9.623 ( 4.527 0.000 -1.082) 4.654 9.636 ( 3.825 0.000 -11.981) 12.577 9.956 ( -1.108 0.000 -2.289) 2.543 10.060 ( 5.782 0.000 -7.618) 9.564 10.254 ( -1.250 0.000 5.099) 5.250 10.687 ( 5.948 0.000 -7.674) 9.709 10.916 ( 8.009 0.000 -7.709) 11.117 11.545 ( -3.289 0.000 7.363) 8.064 11.559 ( -3.495 0.000 5.818) 6.787 11.577 ( 1.034 0.000 9.140) 9.198 11.875 ( 0.021 0.000 0.448) 0.448 12.763 ( 2.885 0.000 1.969) 3.493 12.932 ( -1.523 0.000 -3.077) 3.433 13.500 ( 1.175 0.000 -4.732) 4.876 13.557 ( 1.937 0.000 -3.446) 3.953 13.707 ( -5.021 0.000 4.752) 6.913 13.856 ( -2.125 0.000 2.502) 3.283 14.621 ( 1.131 0.000 1.605) 1.964 14.728 ( 5.020 0.000 -3.270) 5.991 14.752 ( 2.129 0.000 -3.319) 3.943 14.824 ( -1.560 0.000 -2.947) 3.334 15.299 ( 2.718 0.000 0.118) 2.721 15.410 ( 5.479 0.000 -6.875) 8.791 15.865 ( -2.386 0.000 3.911) 4.582 15.978 ( 1.379 0.000 0.030) 1.379 16.220 ( -4.611 0.000 4.937) 6.755 16.265 ( 1.226 0.000 -1.023) 1.597 16.431 ( 3.011 0.000 -5.668) 6.418 16.727 ( -26.256 0.000 8.529) 27.607 17.139 ( -18.884 0.000 9.607) 21.188 17.152 ( -0.102 0.000 1.165) 1.170 17.234 ( 0.042 0.000 -1.434) 1.435 17.785 ( -0.033 0.000 1.357) 1.357 17.789 ( -0.224 0.000 -0.494) 0.543 18.104 ( 6.618 0.000 2.998) 7.265 18.202 ( -0.783 0.000 4.204) 4.276 18.285 ( -15.699 0.000 1.254) 15.749 19.144 ( 3.691 0.000 6.494) 7.469 19.281 ( -3.930 0.000 -0.002) 3.930 19.512 ( 3.056 0.000 -0.947) 3.199 19.652 ( 5.413 0.000 -7.236) 9.036 20.080 ( -4.824 0.000 -2.539) 5.452 20.259 ( 2.557 0.000 3.630) 4.440 20.348 ( -1.207 0.000 1.149) 1.666 20.400 ( 10.170 0.000 -3.965) 10.915 ======================= Grid point 57 (21/96) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.786 0.000 14.813) 14.834 0.771 ( -4.592 0.000 14.601) 15.306 0.820 ( 0.452 0.000 2.416) 2.458 1.125 ( -2.022 0.000 7.186) 7.465 1.218 ( -0.367 0.000 -0.056) 0.371 1.335 ( 5.120 0.000 0.077) 5.120 1.403 ( 1.515 0.000 -0.423) 1.573 1.546 ( -3.543 0.000 -4.318) 5.585 1.691 ( -4.262 0.000 -4.070) 5.893 1.722 ( 5.543 0.000 2.550) 6.101 1.855 ( 0.523 0.000 -4.168) 4.201 1.866 ( -5.917 0.000 2.894) 6.587 1.959 ( 1.995 0.000 -8.505) 8.735 1.991 ( 11.854 0.000 14.965) 19.091 2.085 ( 6.052 0.000 -5.893) 8.447 2.242 ( 2.334 0.000 -3.296) 4.039 2.315 ( 4.750 0.000 -11.924) 12.836 2.357 ( -4.011 0.000 0.282) 4.021 2.463 ( 2.820 0.000 4.300) 5.142 2.529 ( -2.795 0.000 -0.905) 2.938 2.569 ( -1.193 0.000 3.431) 3.633 2.658 ( -4.967 0.000 3.976) 6.363 2.717 ( -0.699 0.000 0.770) 1.040 2.893 ( -4.245 0.000 3.508) 5.507 2.920 ( -4.287 0.000 -0.441) 4.310 3.027 ( 3.257 0.000 0.790) 3.352 3.053 ( 0.659 0.000 -3.666) 3.725 3.091 ( -1.690 0.000 5.691) 5.937 3.156 ( 2.484 0.000 -3.519) 4.307 3.262 ( 1.920 0.000 -2.111) 2.854 3.334 ( 2.213 0.000 -7.066) 7.405 3.376 ( 0.670 0.000 2.804) 2.883 3.729 ( 0.290 0.000 3.919) 3.929 3.753 ( 0.180 0.000 2.457) 2.463 3.842 ( -0.847 0.000 3.330) 3.436 3.913 ( -4.386 0.000 6.970) 8.235 3.991 ( -5.685 0.000 1.237) 5.818 4.453 ( -0.976 0.000 -3.287) 3.429 4.495 ( 0.919 0.000 -0.282) 0.962 4.535 ( 0.635 0.000 -3.771) 3.824 4.920 ( 2.888 0.000 -1.358) 3.191 4.921 ( 4.517 0.000 -3.825) 5.919 4.995 ( -3.024 0.000 3.741) 4.810 5.062 ( -1.123 0.000 -0.456) 1.212 5.084 ( 2.219 0.000 -0.419) 2.258 5.296 ( 8.028 0.000 -11.049) 13.658 5.373 ( 2.282 0.000 6.521) 6.909 5.494 ( -2.063 0.000 -6.676) 6.988 5.634 ( -0.242 0.000 1.558) 1.577 5.676 ( -2.448 0.000 6.892) 7.313 5.894 ( -6.296 0.000 3.156) 7.043 6.042 ( -4.234 0.000 3.887) 5.748 6.149 ( -2.030 0.000 -3.120) 3.722 6.280 ( 1.058 0.000 -1.051) 1.492 6.475 ( -2.473 0.000 2.720) 3.677 6.966 ( 0.737 0.000 0.451) 0.865 6.985 ( -2.513 0.000 2.444) 3.505 6.999 ( -4.942 0.000 -0.371) 4.956 7.209 ( -0.663 0.000 -0.708) 0.970 7.270 ( -7.349 0.000 5.671) 9.282 7.484 ( -2.889 0.000 2.363) 3.732 7.536 ( -6.133 0.000 3.005) 6.830 7.557 ( 7.419 0.000 2.278) 7.761 7.713 ( 0.826 0.000 0.631) 1.039 8.008 ( -3.372 0.000 3.012) 4.522 8.016 ( 0.719 0.000 -0.875) 1.132 8.182 ( -2.339 0.000 -0.041) 2.339 8.295 ( -5.304 0.000 3.913) 6.591 8.496 ( 0.531 0.000 -2.306) 2.366 8.505 ( -0.948 0.000 1.124) 1.470 8.717 ( -2.514 0.000 2.899) 3.837 9.029 ( -7.725 0.000 10.948) 13.399 9.194 ( -1.139 0.000 -2.471) 2.721 9.349 ( -3.655 0.000 6.568) 7.517 9.585 ( -1.109 0.000 4.909) 5.032 9.590 ( 4.212 0.000 -11.857) 12.583 9.694 ( 5.520 0.000 -2.386) 6.014 9.915 ( -0.976 0.000 -2.306) 2.505 10.083 ( 5.161 0.000 -7.041) 8.730 10.281 ( -0.397 0.000 3.322) 3.346 10.715 ( 3.035 0.000 -2.564) 3.973 10.988 ( 8.293 0.000 -6.116) 10.304 11.567 ( -1.010 0.000 3.577) 3.717 11.569 ( -2.095 0.000 7.085) 7.388 11.674 ( 0.646 0.000 7.501) 7.529 11.878 ( -0.325 0.000 0.641) 0.719 12.838 ( 3.146 0.000 2.670) 4.127 12.880 ( -0.616 0.000 -4.198) 4.243 13.455 ( -0.567 0.000 -5.089) 5.120 13.554 ( 1.618 0.000 -3.378) 3.746 13.668 ( -5.103 0.000 5.446) 7.463 13.842 ( -2.578 0.000 2.929) 3.902 14.648 ( 1.448 0.000 -0.313) 1.482 14.752 ( 1.889 0.000 -3.751) 4.200 14.769 ( -1.153 0.000 -3.250) 3.448 14.792 ( 4.590 0.000 -0.831) 4.665 15.345 ( 3.012 0.000 -0.915) 3.147 15.414 ( 3.439 0.000 -7.071) 7.863 15.859 ( -2.600 0.000 3.506) 4.365 16.025 ( 3.733 0.000 0.867) 3.832 16.201 ( -3.700 0.000 5.486) 6.617 16.271 ( 0.627 0.000 -1.164) 1.322 16.397 ( -12.271 0.000 6.295) 13.791 16.462 ( -4.713 0.000 1.070) 4.833 17.050 ( -2.776 0.000 1.472) 3.142 17.161 ( -0.268 0.000 1.140) 1.171 17.210 ( -0.798 0.000 -2.017) 2.169 17.770 ( -1.097 0.000 -1.129) 1.575 17.775 ( -1.940 0.000 0.204) 1.951 18.066 ( -12.557 0.000 2.131) 12.736 18.179 ( -4.177 0.000 6.792) 7.973 18.268 ( 4.767 0.000 2.852) 5.555 19.227 ( -3.837 0.000 2.364) 4.507 19.272 ( 4.347 0.000 5.787) 7.238 19.530 ( 1.193 0.000 -3.701) 3.889 19.633 ( 0.770 0.000 -6.073) 6.122 19.993 ( -2.623 0.000 -1.163) 2.869 20.329 ( -1.357 0.000 -0.220) 1.375 20.334 ( 2.318 0.000 3.186) 3.940 20.483 ( 4.577 0.000 -2.851) 5.393 ======================= Grid point 58 (22/96) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.632 0.000 5.736) 5.771 0.818 ( -5.683 0.000 13.028) 14.213 0.883 ( 3.696 0.000 2.546) 4.488 1.151 ( -0.333 0.000 -8.522) 8.529 1.176 ( -1.185 0.000 7.208) 7.305 1.326 ( -2.692 0.000 -5.306) 5.950 1.401 ( -0.029 0.000 1.598) 1.599 1.570 ( 3.547 0.000 6.685) 7.568 1.608 ( -0.607 0.000 -4.184) 4.228 1.764 ( -2.664 0.000 0.553) 2.720 1.829 ( 0.330 0.000 3.222) 3.239 1.857 ( 3.113 0.000 -6.621) 7.316 1.930 ( 2.793 0.000 -2.385) 3.673 2.134 ( 5.417 0.000 -4.233) 6.875 2.174 ( -1.604 0.000 -1.004) 1.892 2.299 ( 4.799 0.000 -7.439) 8.853 2.305 ( -1.794 0.000 -0.521) 1.868 2.329 ( 3.168 0.000 5.233) 6.117 2.511 ( 3.676 0.000 -3.876) 5.342 2.526 ( -0.441 0.000 1.301) 1.374 2.626 ( -2.766 0.000 5.564) 6.214 2.652 ( 6.223 0.000 8.954) 10.904 2.677 ( -4.781 0.000 1.512) 5.014 2.851 ( -3.496 0.000 1.766) 3.916 2.854 ( -2.706 0.000 -0.460) 2.745 3.042 ( 1.866 0.000 -2.915) 3.461 3.057 ( -1.779 0.000 4.235) 4.593 3.162 ( 4.710 0.000 1.369) 4.905 3.163 ( 2.555 0.000 -4.483) 5.160 3.248 ( -1.170 0.000 -1.796) 2.143 3.297 ( 0.340 0.000 -3.977) 3.992 3.404 ( -0.253 0.000 2.062) 2.077 3.730 ( -4.992 0.000 1.746) 5.289 3.761 ( -1.193 0.000 2.898) 3.134 3.811 ( -2.788 0.000 -1.274) 3.065 3.939 ( 0.164 0.000 6.171) 6.173 3.965 ( -2.115 0.000 6.123) 6.478 4.360 ( -4.782 0.000 -4.950) 6.883 4.498 ( 1.039 0.000 -3.094) 3.264 4.526 ( 3.494 0.000 -6.635) 7.498 4.948 ( 0.373 0.000 -0.652) 0.751 4.958 ( 2.550 0.000 0.196) 2.558 5.011 ( -2.000 0.000 10.037) 10.234 5.086 ( 4.734 0.000 -1.735) 5.042 5.118 ( 2.924 0.000 -1.474) 3.274 5.289 ( 4.432 0.000 -11.010) 11.868 5.391 ( -2.572 0.000 -6.201) 6.713 5.485 ( 2.741 0.000 5.957) 6.558 5.647 ( -0.147 0.000 1.543) 1.550 5.713 ( -2.800 0.000 9.821) 10.212 5.840 ( -3.918 0.000 2.625) 4.716 6.030 ( -1.256 0.000 2.886) 3.148 6.105 ( -1.437 0.000 0.185) 1.449 6.293 ( 1.511 0.000 -0.796) 1.708 6.465 ( -1.190 0.000 1.867) 2.214 6.899 ( -4.590 0.000 -3.083) 5.529 6.958 ( -2.941 0.000 2.061) 3.591 6.972 ( -1.158 0.000 1.765) 2.111 7.201 ( 1.056 0.000 -2.060) 2.315 7.227 ( -4.118 0.000 5.260) 6.680 7.448 ( -3.233 0.000 0.978) 3.378 7.456 ( -6.887 0.000 3.789) 7.860 7.690 ( 6.247 0.000 0.566) 6.272 7.726 ( -0.273 0.000 1.098) 1.131 8.015 ( 0.494 0.000 2.905) 2.947 8.021 ( 0.750 0.000 -1.309) 1.509 8.140 ( -2.906 0.000 1.220) 3.152 8.244 ( -3.225 0.000 -0.167) 3.229 8.501 ( 1.804 0.000 -0.898) 2.015 8.519 ( 0.338 0.000 2.903) 2.923 8.686 ( -3.602 0.000 1.656) 3.965 9.005 ( -7.084 0.000 10.136) 12.366 9.166 ( 0.603 0.000 -3.297) 3.351 9.350 ( -3.778 0.000 6.272) 7.322 9.551 ( 3.968 0.000 -9.978) 10.738 9.613 ( -1.033 0.000 4.364) 4.485 9.757 ( 4.911 0.000 -2.458) 5.491 9.886 ( 0.485 0.000 -2.690) 2.734 10.093 ( 3.796 0.000 -6.696) 7.697 10.298 ( -0.526 0.000 1.433) 1.526 10.737 ( 0.613 0.000 0.947) 1.128 11.066 ( 7.283 0.000 -5.432) 9.085 11.588 ( 0.573 0.000 1.148) 1.283 11.606 ( -1.292 0.000 6.063) 6.199 11.728 ( -1.117 0.000 4.048) 4.199 11.875 ( -0.729 0.000 0.493) 0.880 12.835 ( 0.176 0.000 -3.906) 3.910 12.908 ( 1.998 0.000 2.469) 3.176 13.398 ( -0.514 0.000 -4.429) 4.459 13.546 ( 1.282 0.000 -3.305) 3.544 13.645 ( -4.321 0.000 6.187) 7.547 13.830 ( -2.136 0.000 3.038) 3.713 14.664 ( 1.574 0.000 -1.527) 2.193 14.726 ( 0.669 0.000 -4.156) 4.209 14.750 ( 1.178 0.000 -2.421) 2.692 14.854 ( 2.959 0.000 0.214) 2.967 15.380 ( 2.538 0.000 -1.359) 2.879 15.404 ( 2.532 0.000 -4.725) 5.361 15.845 ( -2.532 0.000 2.640) 3.658 16.107 ( 4.569 0.000 0.458) 4.591 16.204 ( -2.960 0.000 7.195) 7.781 16.253 ( -12.092 0.000 9.815) 15.574 16.264 ( 0.112 0.000 -1.405) 1.410 16.463 ( 3.365 0.000 -3.365) 4.759 17.025 ( -0.759 0.000 -1.348) 1.547 17.164 ( -0.502 0.000 0.759) 0.910 17.178 ( -1.004 0.000 -0.718) 1.234 17.732 ( -1.594 0.000 -2.078) 2.619 17.732 ( -2.804 0.000 -0.221) 2.813 17.917 ( -8.772 0.000 4.506) 9.861 18.143 ( -5.339 0.000 2.867) 6.060 18.351 ( 1.230 0.000 3.238) 3.464 19.188 ( -4.458 0.000 2.935) 5.338 19.394 ( 3.974 0.000 4.877) 6.291 19.486 ( -0.631 0.000 -4.511) 4.555 19.573 ( -0.980 0.000 -5.694) 5.778 19.980 ( 0.764 0.000 0.777) 1.090 20.307 ( -0.572 0.000 -0.729) 0.927 20.391 ( 1.617 0.000 1.618) 2.288 20.511 ( 2.058 0.000 -2.484) 3.226 ======================= Grid point 59 (23/96) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -7.794 0.000 10.682) 13.223 0.825 ( 0.768 0.000 2.336) 2.459 0.972 ( 3.086 0.000 3.141) 4.403 1.074 ( 2.788 0.000 -10.048) 10.427 1.206 ( -0.177 0.000 2.990) 2.995 1.281 ( 0.110 0.000 1.738) 1.742 1.445 ( -1.190 0.000 8.023) 8.111 1.583 ( 1.502 0.000 -3.528) 3.834 1.666 ( 0.622 0.000 3.691) 3.743 1.706 ( -3.867 0.000 0.340) 3.882 1.818 ( 3.316 0.000 -8.396) 9.027 1.904 ( 4.200 0.000 3.103) 5.222 2.016 ( 5.814 0.000 1.873) 6.108 2.088 ( -6.192 0.000 -0.611) 6.222 2.176 ( 2.636 0.000 -1.768) 3.174 2.292 ( 0.015 0.000 0.797) 0.797 2.321 ( 4.990 0.000 -5.397) 7.350 2.349 ( -1.846 0.000 0.110) 1.849 2.482 ( -4.115 0.000 0.560) 4.152 2.528 ( 3.405 0.000 -6.262) 7.128 2.607 ( -3.806 0.000 0.261) 3.815 2.659 ( -1.412 0.000 5.496) 5.674 2.790 ( -0.123 0.000 2.112) 2.116 2.815 ( -1.105 0.000 -1.213) 1.641 2.873 ( 4.198 0.000 0.248) 4.205 3.054 ( 0.632 0.000 -4.339) 4.385 3.086 ( 1.616 0.000 2.453) 2.937 3.142 ( 1.279 0.000 -0.292) 1.311 3.221 ( -0.954 0.000 3.109) 3.253 3.223 ( 0.106 0.000 -0.427) 0.440 3.272 ( 0.361 0.000 -2.508) 2.534 3.409 ( -1.321 0.000 1.941) 2.348 3.649 ( -5.994 0.000 1.923) 6.295 3.702 ( -5.724 0.000 0.388) 5.738 3.813 ( 3.555 0.000 -2.375) 4.275 3.991 ( -2.695 0.000 6.751) 7.269 4.029 ( 3.039 0.000 6.497) 7.173 4.219 ( -5.928 0.000 -4.536) 7.464 4.471 ( 1.420 0.000 -6.463) 6.618 4.512 ( 4.725 0.000 -10.362) 11.388 4.943 ( -1.063 0.000 1.327) 1.700 5.013 ( 0.727 0.000 4.416) 4.475 5.055 ( -1.114 0.000 2.915) 3.121 5.148 ( 2.397 0.000 -1.541) 2.849 5.191 ( 4.460 0.000 6.600) 7.966 5.249 ( 3.476 0.000 -9.833) 10.429 5.302 ( -1.551 0.000 -4.337) 4.606 5.566 ( 1.274 0.000 3.756) 3.966 5.651 ( -1.158 0.000 1.297) 1.739 5.763 ( -3.862 0.000 11.659) 12.282 5.804 ( -2.549 0.000 0.868) 2.693 6.049 ( -1.498 0.000 5.319) 5.526 6.112 ( 0.900 0.000 2.757) 2.900 6.313 ( 1.482 0.000 -0.414) 1.539 6.476 ( -0.167 0.000 2.991) 2.995 6.804 ( -2.069 0.000 -4.111) 4.602 6.928 ( -2.221 0.000 0.574) 2.294 6.972 ( -2.263 0.000 4.612) 5.137 7.206 ( 1.759 0.000 -1.852) 2.554 7.222 ( -1.660 0.000 2.958) 3.392 7.382 ( -5.916 0.000 2.974) 6.622 7.405 ( -2.201 0.000 0.264) 2.217 7.728 ( -0.704 0.000 1.051) 1.265 7.775 ( 4.289 0.000 -0.774) 4.358 7.998 ( -0.627 0.000 -3.630) 3.684 8.064 ( 1.378 0.000 3.371) 3.642 8.129 ( -1.443 0.000 4.320) 4.555 8.186 ( -1.986 0.000 -2.567) 3.246 8.530 ( 1.691 0.000 0.332) 1.724 8.570 ( 1.005 0.000 4.953) 5.054 8.635 ( -3.860 0.000 0.953) 3.976 8.990 ( -6.161 0.000 10.103) 11.833 9.148 ( 0.982 0.000 -3.024) 3.180 9.329 ( -4.454 0.000 3.224) 5.498 9.552 ( 5.016 0.000 -4.761) 6.916 9.629 ( -1.528 0.000 3.281) 3.619 9.812 ( 3.750 0.000 -1.132) 3.917 9.882 ( 2.428 0.000 -3.313) 4.107 10.081 ( 2.736 0.000 -7.121) 7.628 10.287 ( -1.543 0.000 -0.246) 1.563 10.752 ( -0.723 0.000 2.332) 2.442 11.116 ( 5.042 0.000 -5.886) 7.750 11.601 ( 0.702 0.000 -1.159) 1.355 11.635 ( -1.608 0.000 4.907) 5.164 11.710 ( -2.804 0.000 -0.887) 2.941 11.865 ( -0.732 0.000 0.176) 0.753 12.820 ( 1.624 0.000 -2.198) 2.733 12.943 ( -0.024 0.000 1.154) 1.154 13.362 ( 0.887 0.000 -3.519) 3.629 13.533 ( 0.989 0.000 -3.524) 3.660 13.641 ( -3.783 0.000 6.877) 7.849 13.830 ( -1.468 0.000 3.070) 3.403 14.671 ( 1.353 0.000 -2.161) 2.550 14.712 ( 1.992 0.000 -3.441) 3.976 14.750 ( 1.193 0.000 -1.536) 1.945 14.891 ( 1.222 0.000 0.260) 1.249 15.407 ( 1.923 0.000 -0.707) 2.048 15.416 ( 2.777 0.000 -1.782) 3.300 15.828 ( -1.846 0.000 1.624) 2.459 16.153 ( 0.663 0.000 -0.300) 0.728 16.171 ( -8.530 0.000 8.256) 11.872 16.245 ( -0.017 0.000 1.886) 1.886 16.255 ( -0.479 0.000 4.475) 4.501 16.497 ( 3.334 0.000 -1.347) 3.596 16.993 ( -0.087 0.000 -3.768) 3.769 17.161 ( -0.508 0.000 0.556) 0.753 17.172 ( -0.281 0.000 1.668) 1.691 17.684 ( -1.301 0.000 -2.162) 2.523 17.687 ( -2.262 0.000 0.062) 2.262 17.864 ( -4.337 0.000 6.995) 8.230 18.059 ( -4.714 0.000 -2.609) 5.388 18.373 ( -0.878 0.000 1.220) 1.503 19.129 ( -3.969 0.000 0.141) 3.971 19.463 ( 0.961 0.000 0.088) 0.965 19.479 ( -0.547 0.000 -2.078) 2.149 19.511 ( 1.940 0.000 0.155) 1.946 20.004 ( 0.578 0.000 0.670) 0.885 20.299 ( 0.232 0.000 -0.304) 0.382 20.407 ( 0.133 0.000 -1.930) 1.934 20.516 ( 1.231 0.000 -1.630) 2.043 ======================= Grid point 60 (24/96) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -11.199 0.000 5.001) 12.265 0.852 ( 0.224 0.000 1.465) 1.482 1.017 ( -2.134 0.000 4.207) 4.717 1.083 ( 6.108 0.000 -4.107) 7.360 1.264 ( 3.468 0.000 3.421) 4.871 1.355 ( 4.175 0.000 5.156) 6.635 1.473 ( -6.905 0.000 10.101) 12.235 1.560 ( -0.892 0.000 -3.596) 3.705 1.666 ( 0.163 0.000 -0.668) 0.687 1.668 ( 0.464 0.000 -1.539) 1.607 1.858 ( 6.588 0.000 -1.809) 6.831 1.959 ( -3.071 0.000 -1.889) 3.606 2.037 ( 1.600 0.000 5.915) 6.128 2.106 ( 1.226 0.000 1.448) 1.897 2.178 ( -0.204 0.000 -1.359) 1.374 2.298 ( -0.030 0.000 -5.087) 5.087 2.314 ( -0.256 0.000 3.934) 3.942 2.353 ( 0.991 0.000 -0.338) 1.048 2.431 ( -1.249 0.000 -0.634) 1.401 2.510 ( 4.060 0.000 -8.762) 9.656 2.570 ( -0.981 0.000 0.972) 1.381 2.675 ( -1.738 0.000 3.751) 4.134 2.797 ( -3.729 0.000 -1.851) 4.163 2.801 ( 0.798 0.000 -0.784) 1.119 2.811 ( -6.058 0.000 -5.835) 8.411 2.954 ( 0.030 0.000 -6.852) 6.852 3.130 ( -0.035 0.000 -0.305) 0.307 3.204 ( -3.487 0.000 5.166) 6.232 3.225 ( 2.361 0.000 -2.088) 3.152 3.260 ( 1.476 0.000 3.663) 3.949 3.275 ( 4.878 0.000 1.462) 5.093 3.393 ( -2.177 0.000 0.328) 2.201 3.586 ( -2.674 0.000 0.744) 2.776 3.601 ( -4.438 0.000 -3.812) 5.850 3.855 ( 2.028 0.000 1.312) 2.415 4.006 ( -1.946 0.000 4.987) 5.353 4.087 ( -6.427 0.000 1.357) 6.569 4.149 ( 4.950 0.000 0.894) 5.030 4.434 ( 1.948 0.000 -6.663) 6.942 4.494 ( 4.448 0.000 -9.333) 10.338 4.940 ( -0.918 0.000 1.407) 1.680 5.028 ( -3.647 0.000 0.058) 3.648 5.033 ( -0.527 0.000 -1.082) 1.203 5.180 ( 2.566 0.000 -0.444) 2.605 5.233 ( 1.912 0.000 -3.239) 3.761 5.253 ( -1.637 0.000 1.915) 2.519 5.342 ( 4.532 0.000 5.765) 7.333 5.585 ( -0.872 0.000 -1.136) 1.432 5.650 ( -1.327 0.000 4.107) 4.316 5.776 ( -1.607 0.000 1.128) 1.963 5.798 ( -5.172 0.000 11.047) 12.198 6.077 ( -1.923 0.000 6.387) 6.670 6.183 ( 2.485 0.000 5.183) 5.748 6.330 ( 0.690 0.000 -0.046) 0.691 6.517 ( 0.594 0.000 4.465) 4.505 6.768 ( 1.786 0.000 -2.600) 3.154 6.896 ( -1.410 0.000 -0.661) 1.557 6.985 ( -1.453 0.000 4.267) 4.508 7.215 ( -2.005 0.000 1.159) 2.316 7.225 ( 2.062 0.000 -0.842) 2.227 7.317 ( -4.011 0.000 1.599) 4.318 7.392 ( 0.325 0.000 0.591) 0.675 7.722 ( -0.958 0.000 0.632) 1.148 7.824 ( 2.108 0.000 -0.318) 2.132 7.954 ( 0.175 0.000 -3.201) 3.205 8.110 ( 0.958 0.000 -0.194) 0.978 8.139 ( -1.134 0.000 0.582) 1.274 8.158 ( -0.409 0.000 4.275) 4.294 8.556 ( 0.506 0.000 1.038) 1.155 8.580 ( -3.856 0.000 1.983) 4.336 8.639 ( 0.815 0.000 5.199) 5.262 8.995 ( -5.044 0.000 10.290) 11.460 9.148 ( 2.499 0.000 -2.442) 3.494 9.275 ( -3.647 0.000 0.667) 3.707 9.619 ( 5.638 0.000 -0.591) 5.669 9.622 ( -2.825 0.000 2.643) 3.868 9.861 ( 1.974 0.000 1.323) 2.376 9.899 ( 3.521 0.000 -3.696) 5.104 10.053 ( 2.810 0.000 -8.087) 8.562 10.245 ( -2.411 0.000 -1.230) 2.707 10.757 ( -1.330 0.000 2.206) 2.576 11.118 ( 2.594 0.000 -6.912) 7.382 11.583 ( -0.538 0.000 -2.976) 3.024 11.621 ( -2.034 0.000 -6.730) 7.030 11.648 ( -3.970 0.000 5.469) 6.758 11.858 ( -0.111 0.000 -0.008) 0.111 12.849 ( 3.037 0.000 0.036) 3.038 12.928 ( -1.877 0.000 -0.794) 2.038 13.361 ( 2.528 0.000 -2.724) 3.717 13.515 ( 1.333 0.000 -4.000) 4.216 13.650 ( -3.321 0.000 7.442) 8.150 13.836 ( -1.431 0.000 3.034) 3.354 14.668 ( 0.895 0.000 -2.627) 2.776 14.722 ( 2.797 0.000 -3.182) 4.237 14.762 ( 1.081 0.000 0.031) 1.082 14.899 ( -0.285 0.000 -0.252) 0.380 15.429 ( 0.972 0.000 0.102) 0.977 15.466 ( 3.877 0.000 0.533) 3.913 15.817 ( -0.932 0.000 0.986) 1.357 16.115 ( -7.246 0.000 7.245) 10.247 16.138 ( -1.963 0.000 -0.173) 1.970 16.234 ( 0.524 0.000 -2.289) 2.348 16.314 ( -1.639 0.000 8.243) 8.404 16.546 ( 2.252 0.000 1.452) 2.680 16.961 ( 1.063 0.000 -4.164) 4.298 17.157 ( -0.540 0.000 0.344) 0.641 17.195 ( 0.481 0.000 2.414) 2.462 17.658 ( 0.279 0.000 -1.253) 1.284 17.666 ( -0.089 0.000 0.035) 0.096 17.897 ( -1.002 0.000 8.787) 8.844 17.945 ( -2.337 0.000 -8.279) 8.603 18.353 ( -1.629 0.000 -0.846) 1.835 19.078 ( -1.362 0.000 -0.585) 1.482 19.388 ( -3.087 0.000 -5.949) 6.703 19.514 ( 2.682 0.000 3.308) 4.258 19.591 ( 3.288 0.000 2.834) 4.341 20.005 ( -0.774 0.000 0.241) 0.811 20.305 ( 0.356 0.000 0.350) 0.499 20.364 ( -1.021 0.000 -4.804) 4.911 20.520 ( 0.935 0.000 -1.754) 1.988 ======================= Grid point 61 (25/96) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -11.722 0.000 0.947) 11.760 0.856 ( -2.035 0.000 2.030) 2.875 1.007 ( -3.431 0.000 4.972) 6.041 1.168 ( 5.240 0.000 0.423) 5.257 1.313 ( -9.787 0.000 11.132) 14.823 1.451 ( 1.360 0.000 1.545) 2.059 1.487 ( 4.400 0.000 2.811) 5.221 1.509 ( 0.925 0.000 -1.874) 2.090 1.673 ( 1.600 0.000 -1.670) 2.312 1.688 ( 0.739 0.000 1.089) 1.316 1.894 ( -3.227 0.000 1.898) 3.744 1.964 ( 4.597 0.000 1.163) 4.742 2.063 ( -6.648 0.000 2.999) 7.293 2.091 ( -0.748 0.000 -2.155) 2.281 2.172 ( 2.692 0.000 -3.054) 4.072 2.280 ( -1.266 0.000 -0.521) 1.369 2.334 ( -2.769 0.000 4.133) 4.974 2.336 ( 0.810 0.000 -0.945) 1.245 2.439 ( 3.196 0.000 -2.463) 4.035 2.454 ( -8.955 0.000 -10.705) 13.956 2.563 ( 4.474 0.000 -8.565) 9.663 2.588 ( 0.628 0.000 2.129) 2.220 2.686 ( -0.556 0.000 3.353) 3.399 2.774 ( -3.937 0.000 0.950) 4.050 2.823 ( 1.179 0.000 0.947) 1.512 2.931 ( 3.574 0.000 -5.796) 6.809 3.066 ( -6.584 0.000 3.108) 7.281 3.222 ( -0.018 0.000 0.487) 0.488 3.246 ( 1.244 0.000 -0.934) 1.556 3.275 ( 1.352 0.000 -0.087) 1.355 3.334 ( -3.652 0.000 -2.507) 4.430 3.420 ( 5.778 0.000 4.594) 7.382 3.511 ( -0.108 0.000 -3.950) 3.952 3.578 ( 2.232 0.000 -1.681) 2.794 3.906 ( 0.448 0.000 4.592) 4.614 4.000 ( -4.156 0.000 -0.821) 4.236 4.018 ( -2.026 0.000 4.218) 4.679 4.224 ( 2.936 0.000 0.097) 2.937 4.414 ( 2.032 0.000 -4.358) 4.808 4.483 ( 3.419 0.000 -6.473) 7.320 4.921 ( -2.236 0.000 -3.509) 4.161 4.967 ( -4.186 0.000 5.478) 6.894 4.999 ( 1.348 0.000 -6.296) 6.439 5.189 ( 1.765 0.000 -5.934) 6.190 5.247 ( -3.222 0.000 7.035) 7.737 5.263 ( -0.977 0.000 4.251) 4.362 5.456 ( 3.136 0.000 4.503) 5.488 5.543 ( -1.154 0.000 -2.747) 2.980 5.676 ( -1.351 0.000 5.487) 5.651 5.778 ( -0.372 0.000 2.821) 2.846 5.801 ( -5.402 0.000 8.292) 9.896 6.104 ( -2.176 0.000 6.208) 6.579 6.279 ( 2.142 0.000 6.205) 6.564 6.333 ( -0.462 0.000 0.154) 0.487 6.567 ( 0.060 0.000 3.900) 3.900 6.807 ( 4.318 0.000 -0.772) 4.387 6.877 ( -0.120 0.000 -0.078) 0.143 6.996 ( -0.378 0.000 0.782) 0.868 7.160 ( -4.915 0.000 0.141) 4.918 7.262 ( 2.604 0.000 0.756) 2.712 7.307 ( 1.470 0.000 1.249) 1.929 7.422 ( 1.544 0.000 1.682) 2.283 7.712 ( -0.624 0.000 0.535) 0.822 7.829 ( -2.208 0.000 1.787) 2.840 7.961 ( 3.379 0.000 -2.002) 3.928 8.083 ( 2.020 0.000 -6.966) 7.253 8.171 ( -2.016 0.000 8.136) 8.382 8.189 ( -0.406 0.000 3.240) 3.265 8.547 ( -2.628 0.000 2.678) 3.752 8.566 ( -0.549 0.000 1.264) 1.378 8.687 ( -1.028 0.000 4.852) 4.960 9.015 ( -3.710 0.000 9.018) 9.751 9.191 ( 4.191 0.000 -0.095) 4.192 9.234 ( -1.728 0.000 0.504) 1.800 9.586 ( -4.351 0.000 2.606) 5.071 9.711 ( 5.368 0.000 -0.443) 5.386 9.906 ( -0.000 0.000 4.987) 4.987 9.926 ( 3.848 0.000 -3.540) 5.228 10.027 ( 3.563 0.000 -8.137) 8.883 10.190 ( -2.694 0.000 -0.877) 2.833 10.752 ( -0.969 0.000 0.894) 1.318 11.077 ( 1.044 0.000 -7.690) 7.761 11.506 ( -2.181 0.000 -8.460) 8.737 11.530 ( -1.678 0.000 -3.724) 4.085 11.631 ( -4.494 0.000 5.224) 6.891 11.860 ( 0.392 0.000 -0.105) 0.405 12.872 ( -2.751 0.000 -2.323) 3.601 12.913 ( 3.312 0.000 1.763) 3.752 13.392 ( 3.947 0.000 -2.135) 4.487 13.503 ( 2.145 0.000 -4.409) 4.903 13.673 ( -2.525 0.000 7.804) 8.202 13.839 ( -1.550 0.000 2.878) 3.269 14.650 ( 0.250 0.000 -2.974) 2.985 14.738 ( 2.872 0.000 -3.391) 4.443 14.786 ( 0.934 0.000 1.270) 1.577 14.877 ( -1.539 0.000 -1.285) 2.005 15.434 ( -0.698 0.000 -0.017) 0.698 15.551 ( 5.457 0.000 0.246) 5.463 15.816 ( -0.420 0.000 1.027) 1.110 16.073 ( -6.254 0.000 8.253) 10.355 16.094 ( -2.887 0.000 -0.046) 2.887 16.224 ( 0.662 0.000 -1.789) 1.908 16.353 ( -3.416 0.000 8.786) 9.427 16.595 ( 0.054 0.000 4.740) 4.740 16.954 ( 2.415 0.000 -3.054) 3.894 17.143 ( -0.958 0.000 -0.858) 1.286 17.226 ( 0.652 0.000 1.669) 1.791 17.667 ( 1.762 0.000 -0.786) 1.930 17.689 ( 2.968 0.000 -0.458) 3.003 17.834 ( 0.755 0.000 -11.659) 11.684 17.994 ( 1.606 0.000 10.268) 10.393 18.305 ( -2.188 0.000 -2.336) 3.200 19.078 ( 1.450 0.000 0.493) 1.532 19.271 ( -4.009 0.000 -6.119) 7.315 19.591 ( 2.165 0.000 2.725) 3.481 19.670 ( 3.368 0.000 2.097) 3.967 20.001 ( -0.112 0.000 1.941) 1.945 20.294 ( -1.142 0.000 -5.591) 5.707 20.314 ( 0.038 0.000 0.622) 0.623 20.509 ( 0.565 0.000 -3.199) 3.248 ======================= Grid point 62 (26/96) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -11.027 0.000 1.012) 11.073 0.811 ( -6.928 0.000 3.707) 7.858 1.006 ( -3.329 0.000 5.671) 6.576 1.199 ( -13.278 0.000 10.427) 16.883 1.229 ( -0.965 0.000 3.002) 3.153 1.476 ( -5.173 0.000 0.094) 5.174 1.505 ( 3.931 0.000 -1.300) 4.140 1.616 ( 6.357 0.000 -1.312) 6.492 1.682 ( -0.827 0.000 -3.028) 3.139 1.688 ( 1.157 0.000 1.608) 1.981 1.845 ( -15.492 0.000 0.193) 15.493 1.906 ( -3.004 0.000 1.089) 3.196 1.921 ( -7.060 0.000 0.101) 7.061 2.058 ( 2.803 0.000 -1.382) 3.125 2.218 ( 3.427 0.000 -6.068) 6.969 2.241 ( 3.880 0.000 4.342) 5.823 2.316 ( -2.410 0.000 2.601) 3.546 2.342 ( 3.847 0.000 -3.843) 5.438 2.432 ( -0.295 0.000 -5.906) 5.913 2.436 ( 6.125 0.000 1.197) 6.241 2.615 ( 6.417 0.000 -4.764) 7.992 2.623 ( 0.598 0.000 2.584) 2.652 2.712 ( 0.338 0.000 0.911) 0.972 2.716 ( -3.333 0.000 1.483) 3.648 2.844 ( -1.025 0.000 3.829) 3.964 2.949 ( 4.192 0.000 -4.048) 5.828 3.001 ( -5.374 0.000 3.598) 6.468 3.203 ( 1.744 0.000 -6.134) 6.377 3.234 ( -1.281 0.000 -0.477) 1.367 3.254 ( -5.322 0.000 4.939) 7.261 3.307 ( 1.475 0.000 0.121) 1.480 3.515 ( 3.718 0.000 -2.350) 4.398 3.541 ( 5.717 0.000 -1.600) 5.937 3.640 ( 5.201 0.000 0.931) 5.284 3.923 ( -2.404 0.000 -3.756) 4.459 3.927 ( -3.127 0.000 2.520) 4.016 4.037 ( -1.012 0.000 6.227) 6.308 4.250 ( 1.144 0.000 -1.697) 2.046 4.419 ( 1.802 0.000 -1.091) 2.107 4.489 ( 3.617 0.000 -4.242) 5.575 4.828 ( -3.154 0.000 -3.321) 4.580 4.969 ( 3.766 0.000 -8.387) 9.193 4.990 ( -2.282 0.000 9.417) 9.689 5.131 ( -2.146 0.000 -5.337) 5.752 5.233 ( -6.603 0.000 6.888) 9.542 5.283 ( -2.435 0.000 4.879) 5.453 5.503 ( -0.435 0.000 -2.923) 2.955 5.536 ( 2.969 0.000 1.793) 3.469 5.701 ( -3.083 0.000 6.913) 7.569 5.784 ( -3.721 0.000 4.479) 5.823 5.824 ( 1.536 0.000 5.518) 5.727 6.118 ( -2.888 0.000 5.345) 6.075 6.321 ( -1.035 0.000 0.184) 1.051 6.361 ( 0.852 0.000 5.264) 5.333 6.574 ( -1.724 0.000 0.197) 1.735 6.879 ( 4.390 0.000 -0.119) 4.392 6.899 ( 1.196 0.000 2.478) 2.752 6.981 ( -1.104 0.000 -1.448) 1.821 7.087 ( -2.200 0.000 -1.241) 2.526 7.331 ( 3.488 0.000 2.914) 4.546 7.380 ( 4.928 0.000 2.099) 5.356 7.464 ( 1.029 0.000 2.622) 2.817 7.715 ( -0.077 0.000 1.215) 1.217 7.795 ( -5.143 0.000 3.860) 6.430 8.008 ( 3.272 0.000 -0.522) 3.314 8.056 ( 3.107 0.000 -7.829) 8.423 8.202 ( -0.832 0.000 1.611) 1.813 8.225 ( -2.258 0.000 11.332) 11.555 8.546 ( -1.189 0.000 3.785) 3.968 8.568 ( -0.494 0.000 1.293) 1.384 8.695 ( -2.585 0.000 3.267) 4.166 9.040 ( -2.197 0.000 6.314) 6.686 9.227 ( -0.158 0.000 1.230) 1.240 9.286 ( 5.065 0.000 3.555) 6.188 9.534 ( -4.969 0.000 3.514) 6.086 9.774 ( 4.187 0.000 -3.634) 5.544 9.956 ( 1.621 0.000 1.443) 2.170 9.961 ( 4.052 0.000 -2.908) 4.988 10.038 ( 1.208 0.000 5.291) 5.427 10.148 ( -2.450 0.000 1.524) 2.885 10.742 ( 0.535 0.000 -2.387) 2.446 11.016 ( 0.745 0.000 -7.568) 7.604 11.404 ( -1.254 0.000 -5.976) 6.107 11.464 ( -1.910 0.000 -3.600) 4.075 11.601 ( -5.196 0.000 5.630) 7.661 11.866 ( 0.381 0.000 -0.183) 0.423 12.801 ( -2.639 0.000 -2.756) 3.816 12.984 ( 2.409 0.000 2.890) 3.762 13.447 ( 4.664 0.000 -1.842) 5.015 13.504 ( 3.046 0.000 -4.548) 5.474 13.715 ( -1.343 0.000 7.659) 7.776 13.841 ( -1.286 0.000 2.648) 2.944 14.621 ( -0.328 0.000 -2.846) 2.865 14.751 ( 2.501 0.000 -3.454) 4.265 14.814 ( 0.946 0.000 1.364) 1.660 14.825 ( -2.197 0.000 -2.732) 3.506 15.402 ( -2.575 0.000 -0.790) 2.694 15.620 ( 5.241 0.000 -7.104) 8.828 15.824 ( -0.497 0.000 2.540) 2.588 16.049 ( -2.739 0.000 0.855) 2.870 16.092 ( -2.982 0.000 14.000) 14.314 16.223 ( 0.748 0.000 -1.040) 1.281 16.366 ( -4.988 0.000 8.409) 9.778 16.640 ( -2.705 0.000 9.976) 10.336 16.984 ( 3.184 0.000 -0.371) 3.205 17.117 ( -0.165 0.000 -1.876) 1.883 17.243 ( 0.231 0.000 0.286) 0.368 17.695 ( 2.494 0.000 -0.990) 2.683 17.733 ( 0.406 0.000 -2.014) 2.055 17.766 ( 7.394 0.000 -11.313) 13.515 18.138 ( 3.249 0.000 10.641) 11.126 18.240 ( -2.519 0.000 -2.779) 3.750 19.135 ( 3.845 0.000 1.810) 4.249 19.141 ( -4.622 0.000 -5.624) 7.280 19.611 ( -1.454 0.000 -0.147) 1.461 19.746 ( 3.721 0.000 1.548) 4.030 20.059 ( 2.906 0.000 5.119) 5.886 20.224 ( -0.990 0.000 -5.248) 5.341 20.316 ( -0.452 0.000 0.460) 0.645 20.478 ( 0.423 0.000 -5.250) 5.267 ======================= Grid point 63 (27/96) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( -9.316 0.000 10.681) 14.173 0.668 ( -14.414 0.000 0.645) 14.428 0.968 ( -8.360 0.000 6.662) 10.690 1.108 ( -12.646 0.000 0.664) 12.663 1.181 ( -19.771 0.000 10.417) 22.347 1.189 ( -7.133 0.000 4.010) 8.183 1.567 ( 2.249 0.000 -0.798) 2.386 1.591 ( -4.050 0.000 -1.906) 4.476 1.683 ( 8.568 0.000 -5.832) 10.364 1.761 ( 0.959 0.000 1.078) 1.443 1.763 ( 0.235 0.000 6.817) 6.821 1.816 ( -2.412 0.000 -2.753) 3.660 1.938 ( 1.070 0.000 3.953) 4.096 2.096 ( 4.798 0.000 -3.930) 6.202 2.270 ( 8.335 0.000 -4.806) 9.622 2.276 ( -4.991 0.000 3.132) 5.893 2.333 ( -2.709 0.000 0.059) 2.710 2.370 ( 4.466 0.000 -1.791) 4.812 2.384 ( 4.584 0.000 -5.216) 6.944 2.511 ( 2.274 0.000 -1.308) 2.623 2.599 ( -4.225 0.000 -0.968) 4.334 2.670 ( 2.720 0.000 -1.081) 2.927 2.728 ( 2.704 0.000 3.565) 4.474 2.748 ( 2.419 0.000 2.496) 3.476 2.872 ( -2.711 0.000 7.225) 7.717 2.956 ( -1.210 0.000 0.138) 1.218 2.998 ( 6.021 0.000 -3.248) 6.841 3.144 ( -4.503 0.000 0.488) 4.530 3.206 ( -0.790 0.000 -1.542) 1.733 3.304 ( 3.619 0.000 4.948) 6.130 3.307 ( -2.681 0.000 1.663) 3.155 3.533 ( 5.215 0.000 -8.068) 9.607 3.628 ( 5.644 0.000 -1.634) 5.876 3.669 ( -1.749 0.000 -4.929) 5.230 3.862 ( -5.691 0.000 0.688) 5.732 3.888 ( 1.440 0.000 0.019) 1.440 4.088 ( -0.780 0.000 6.348) 6.396 4.234 ( -1.332 0.000 -0.587) 1.456 4.448 ( 1.415 0.000 0.669) 1.565 4.532 ( 5.553 0.000 -2.531) 6.103 4.782 ( 1.576 0.000 -2.891) 3.293 4.970 ( 6.024 0.000 -8.557) 10.465 5.025 ( -4.378 0.000 -4.375) 6.189 5.071 ( -1.210 0.000 13.717) 13.770 5.158 ( -8.978 0.000 4.953) 10.254 5.259 ( -4.807 0.000 2.511) 5.423 5.469 ( -0.112 0.000 -3.474) 3.476 5.591 ( 2.755 0.000 -0.303) 2.771 5.702 ( -4.460 0.000 6.781) 8.116 5.758 ( -3.314 0.000 1.971) 3.856 5.954 ( 6.217 0.000 8.880) 10.840 6.111 ( -3.492 0.000 4.604) 5.778 6.305 ( -0.891 0.000 -0.064) 0.893 6.400 ( -0.732 0.000 2.305) 2.419 6.526 ( -2.457 0.000 -1.922) 3.119 6.932 ( 0.267 0.000 -1.126) 1.157 6.942 ( 0.488 0.000 2.217) 2.270 6.955 ( 1.567 0.000 0.350) 1.606 7.080 ( 2.780 0.000 -1.271) 3.057 7.406 ( 0.973 0.000 2.835) 2.997 7.491 ( 5.328 0.000 2.134) 5.739 7.531 ( 3.851 0.000 3.946) 5.514 7.729 ( -7.843 0.000 4.876) 9.235 7.729 ( -0.283 0.000 2.162) 2.180 8.033 ( 2.897 0.000 -7.376) 7.925 8.051 ( 1.111 0.000 1.198) 1.634 8.197 ( -0.171 0.000 -0.355) 0.394 8.329 ( 0.951 0.000 13.219) 13.253 8.576 ( -0.164 0.000 4.538) 4.541 8.580 ( 0.288 0.000 1.677) 1.701 8.668 ( -3.262 0.000 1.584) 3.626 9.060 ( -0.915 0.000 3.264) 3.390 9.247 ( 0.458 0.000 2.123) 2.172 9.399 ( 4.056 0.000 0.427) 4.079 9.514 ( -2.617 0.000 7.735) 8.165 9.780 ( 3.104 0.000 -7.378) 8.004 9.979 ( 6.467 0.000 -9.434) 11.438 9.998 ( 3.043 0.000 -2.334) 3.835 10.143 ( -1.516 0.000 4.334) 4.591 10.266 ( 3.319 0.000 41.219) 41.353 10.721 ( 2.670 0.000 -7.641) 8.095 10.972 ( 1.476 0.000 -3.898) 4.169 11.362 ( -0.107 0.000 -0.211) 0.237 11.395 ( -2.178 0.000 -4.326) 4.844 11.570 ( -5.439 0.000 6.684) 8.618 11.869 ( 0.180 0.000 -0.209) 0.276 12.739 ( -1.843 0.000 -2.131) 2.818 13.050 ( 1.726 0.000 4.095) 4.444 13.505 ( 4.085 0.000 -1.728) 4.435 13.518 ( 3.639 0.000 -4.329) 5.655 13.767 ( -0.611 0.000 5.556) 5.590 13.848 ( -0.800 0.000 2.315) 2.449 14.589 ( -0.598 0.000 -2.001) 2.089 14.754 ( 1.872 0.000 -3.453) 3.928 14.758 ( -1.619 0.000 -4.049) 4.361 14.844 ( 1.306 0.000 0.812) 1.538 15.341 ( -3.418 0.000 -1.078) 3.583 15.560 ( 0.448 0.000 -15.063) 15.070 15.843 ( -1.009 0.000 3.655) 3.792 16.018 ( -2.373 0.000 1.247) 2.681 16.228 ( 0.921 0.000 -0.830) 1.239 16.256 ( 5.308 0.000 13.474) 14.482 16.348 ( -6.020 0.000 7.109) 9.315 16.736 ( -2.591 0.000 23.577) 23.719 17.076 ( 3.822 0.000 12.487) 13.059 17.110 ( 1.115 0.000 -1.176) 1.621 17.240 ( -0.122 0.000 -0.748) 0.758 17.696 ( 2.537 0.000 -6.859) 7.314 17.728 ( 2.615 0.000 -1.236) 2.893 17.828 ( 7.094 0.000 -5.238) 8.818 18.179 ( -1.940 0.000 -1.486) 2.443 18.283 ( 2.231 0.000 8.337) 8.630 19.021 ( -4.021 0.000 -3.419) 5.279 19.232 ( 4.985 0.000 2.569) 5.608 19.556 ( -3.582 0.000 -1.539) 3.898 19.822 ( 3.930 0.000 0.718) 3.995 20.162 ( -0.708 0.000 -4.566) 4.620 20.173 ( 3.554 0.000 6.003) 6.977 20.304 ( -1.274 0.000 -0.285) 1.306 20.409 ( -0.892 0.000 -10.187) 10.226 ======================= Grid point 64 (28/96) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -3.004 0.000 22.069) 22.272 0.339 ( -18.173 0.000 1.107) 18.207 0.795 ( -25.693 0.000 21.237) 33.334 0.903 ( -8.396 0.000 8.195) 11.733 1.092 ( -8.095 0.000 3.750) 8.921 1.171 ( 0.024 0.000 2.264) 2.265 1.536 ( -1.682 0.000 0.750) 1.841 1.558 ( -0.748 0.000 -2.561) 2.668 1.704 ( -5.115 0.000 -0.683) 5.161 1.779 ( 0.496 0.000 -0.175) 0.526 1.793 ( 9.719 0.000 -6.291) 11.578 1.878 ( 5.342 0.000 0.700) 5.388 2.003 ( 2.199 0.000 2.564) 3.378 2.124 ( 2.957 0.000 -6.564) 7.199 2.167 ( -6.485 0.000 1.530) 6.663 2.343 ( -2.718 0.000 4.816) 5.531 2.353 ( 2.309 0.000 -6.440) 6.841 2.393 ( 7.089 0.000 -4.050) 8.164 2.416 ( 6.521 0.000 -6.321) 9.082 2.514 ( 0.768 0.000 -2.515) 2.629 2.537 ( -4.974 0.000 6.340) 8.059 2.676 ( -1.214 0.000 0.535) 1.326 2.801 ( 0.063 0.000 3.091) 3.091 2.835 ( 5.443 0.000 1.720) 5.708 2.874 ( -1.900 0.000 2.947) 3.506 2.983 ( 1.730 0.000 2.716) 3.221 3.073 ( 5.842 0.000 -3.723) 6.928 3.077 ( -5.964 0.000 4.171) 7.278 3.179 ( -0.068 0.000 -2.775) 2.776 3.255 ( -4.627 0.000 1.330) 4.814 3.401 ( 2.250 0.000 2.091) 3.071 3.491 ( -0.727 0.000 -14.136) 14.155 3.590 ( 1.937 0.000 -2.507) 3.168 3.683 ( 3.335 0.000 -2.595) 4.225 3.777 ( -4.420 0.000 1.021) 4.536 3.925 ( -2.056 0.000 6.913) 7.212 4.123 ( -1.853 0.000 5.571) 5.872 4.227 ( 0.092 0.000 3.375) 3.376 4.473 ( 0.966 0.000 0.544) 1.108 4.619 ( 6.997 0.000 -2.042) 7.288 4.814 ( 5.519 0.000 -4.257) 6.969 4.906 ( -3.479 0.000 -5.007) 6.098 5.016 ( 5.224 0.000 -4.716) 7.037 5.049 ( -6.454 0.000 2.762) 7.020 5.177 ( -5.368 0.000 0.641) 5.406 5.192 ( 0.334 0.000 8.741) 8.747 5.430 ( 0.265 0.000 -4.885) 4.892 5.620 ( 1.750 0.000 -1.596) 2.368 5.686 ( -4.326 0.000 5.370) 6.896 5.710 ( -4.006 0.000 1.083) 4.150 6.075 ( -1.669 0.000 0.693) 1.807 6.204 ( 10.981 0.000 4.334) 11.806 6.291 ( -0.403 0.000 -0.565) 0.694 6.381 ( -1.837 0.000 -1.609) 2.443 6.488 ( 0.353 0.000 1.088) 1.144 6.914 ( -0.473 0.000 0.001) 0.473 6.940 ( -2.434 0.000 0.328) 2.456 7.008 ( 3.084 0.000 0.652) 3.152 7.146 ( 4.745 0.000 1.049) 4.860 7.419 ( -1.742 0.000 1.984) 2.640 7.577 ( 1.423 0.000 1.440) 2.024 7.619 ( 2.684 0.000 -0.113) 2.686 7.632 ( -8.189 0.000 4.994) 9.592 7.740 ( -1.941 0.000 2.254) 2.974 8.024 ( 3.547 0.000 -4.590) 5.801 8.059 ( -1.402 0.000 1.106) 1.786 8.201 ( 1.300 0.000 -0.686) 1.470 8.478 ( 4.805 0.000 3.482) 5.934 8.614 ( 1.060 0.000 3.198) 3.369 8.614 ( -1.274 0.000 0.574) 1.397 8.631 ( -1.777 0.000 4.737) 5.059 9.071 ( 0.024 0.000 0.640) 0.641 9.280 ( 0.329 0.000 3.209) 3.226 9.432 ( 2.116 0.000 -0.663) 2.217 9.564 ( -0.033 0.000 3.812) 3.812 9.745 ( 2.596 0.000 -9.533) 9.880 10.000 ( 7.064 0.000 -9.926) 12.183 10.011 ( 0.869 0.000 -2.023) 2.202 10.176 ( -0.585 0.000 5.784) 5.813 10.689 ( 4.940 0.000 -11.737) 12.734 10.799 ( 12.540 0.000 -0.690) 12.559 11.162 ( 6.896 0.000 5.487) 8.812 11.300 ( 2.077 0.000 18.172) 18.291 11.393 ( 0.909 0.000 4.797) 4.882 11.549 ( -5.460 0.000 7.985) 9.673 11.869 ( 0.134 0.000 -0.066) 0.149 12.704 ( -0.397 0.000 -0.838) 0.927 13.125 ( 2.325 0.000 1.392) 2.710 13.533 ( 1.263 0.000 -4.295) 4.477 13.538 ( 3.413 0.000 -3.893) 5.177 13.760 ( -4.890 0.000 0.673) 4.936 13.857 ( -0.606 0.000 1.996) 2.086 14.570 ( -0.076 0.000 -0.269) 0.280 14.704 ( 0.202 0.000 -4.031) 4.036 14.750 ( 1.618 0.000 -3.367) 3.736 14.869 ( 1.086 0.000 -0.192) 1.103 15.281 ( -2.301 0.000 -0.512) 2.357 15.383 ( -4.883 0.000 -8.364) 9.685 15.857 ( -1.640 0.000 3.924) 4.253 15.992 ( -1.809 0.000 0.710) 1.943 16.238 ( 1.283 0.000 -0.978) 1.613 16.306 ( -6.184 0.000 5.807) 8.483 16.409 ( 6.103 0.000 -3.668) 7.120 16.928 ( 3.835 0.000 2.510) 4.583 17.126 ( 1.055 0.000 0.152) 1.066 17.233 ( 0.234 0.000 -0.648) 0.689 17.701 ( 3.774 0.000 -3.071) 4.865 17.740 ( 8.859 0.000 8.591) 12.340 17.853 ( 45.814 0.000 65.507) 79.938 17.893 ( 6.912 0.000 -5.152) 8.621 18.156 ( -0.762 0.000 1.400) 1.594 18.319 ( -6.161 0.000 2.137) 6.521 18.968 ( -0.599 0.000 2.346) 2.421 19.334 ( 3.809 0.000 2.131) 4.365 19.478 ( -3.277 0.000 -1.733) 3.707 19.838 ( -5.293 0.000 -14.634) 15.561 20.081 ( -5.838 0.000 -11.488) 12.887 20.196 ( -7.777 0.000 -6.184) 9.936 20.253 ( -2.162 0.000 0.902) 2.343 20.286 ( 1.560 0.000 2.688) 3.108 ======================= Grid point 65 (29/96) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 2.174 12.427 6.772) 14.318 0.566 ( -9.955 5.493 16.118) 19.725 0.798 ( -7.159 -2.970 7.536) 10.810 1.008 ( -2.342 -1.707 5.298) 6.038 1.121 ( -1.471 3.307 3.212) 4.839 1.221 ( -1.407 19.429 12.036) 22.898 1.407 ( -0.653 -2.533 1.287) 2.915 1.607 ( -2.253 2.981 -3.608) 5.194 1.647 ( 0.000 1.139 -2.735) 2.963 1.764 ( -0.294 -0.471 -2.235) 2.302 1.861 ( -0.194 1.765 -2.892) 3.394 1.911 ( 3.752 -3.882 -1.789) 5.687 2.014 ( 1.706 0.405 -3.938) 4.310 2.084 ( 0.481 -1.533 -4.308) 4.598 2.118 ( 2.424 0.293 -3.029) 3.890 2.282 ( 0.589 -1.882 -1.448) 2.447 2.308 ( -0.527 1.763 -5.600) 5.895 2.382 ( -3.618 -3.122 -5.139) 7.017 2.530 ( 1.205 -1.872 1.206) 2.532 2.548 ( 2.010 3.487 2.489) 4.732 2.595 ( 2.379 0.540 -0.153) 2.444 2.637 ( 0.809 0.468 -0.826) 1.247 2.797 ( -1.847 -0.972 0.907) 2.276 2.816 ( -1.880 -4.967 2.781) 5.995 2.902 ( -0.157 0.423 4.347) 4.370 3.007 ( 1.145 1.943 2.897) 3.671 3.056 ( -2.088 1.027 5.397) 5.877 3.160 ( 0.937 0.608 -3.111) 3.305 3.181 ( -2.326 -0.795 0.658) 2.545 3.282 ( 0.661 -8.063 -2.633) 8.508 3.347 ( -0.586 7.420 -3.064) 8.049 3.422 ( 2.428 5.002 -1.316) 5.714 3.605 ( -1.034 4.875 1.661) 5.253 3.696 ( -1.023 0.521 -2.026) 2.328 3.811 ( -0.488 0.852 4.790) 4.889 3.900 ( -5.206 -2.124 4.929) 7.478 4.026 ( 0.888 -6.943 2.914) 7.582 4.259 ( 1.781 -6.798 4.909) 8.572 4.551 ( 0.529 4.713 1.770) 5.062 4.607 ( -0.987 -5.396 1.014) 5.579 4.746 ( 2.080 -5.762 -1.289) 6.260 4.826 ( -0.880 0.126 -0.532) 1.036 4.926 ( -1.048 -6.483 2.293) 6.956 5.058 ( -2.061 -5.879 4.676) 7.790 5.127 ( 3.940 5.345 -7.738) 10.197 5.220 ( 1.509 2.264 -4.434) 5.202 5.390 ( -0.838 -3.961 -4.898) 6.355 5.465 ( 1.572 -3.366 -2.012) 4.225 5.698 ( 0.187 2.880 -0.726) 2.976 5.802 ( -3.949 0.191 -0.344) 3.969 6.101 ( -1.973 4.160 0.908) 4.692 6.175 ( -4.993 3.185 5.488) 8.074 6.253 ( 0.693 -1.743 -2.570) 3.182 6.386 ( -1.127 -0.691 -0.169) 1.333 6.452 ( -0.898 7.187 -3.995) 8.271 6.790 ( 0.035 -6.071 1.480) 6.249 7.061 ( 0.836 7.420 1.375) 7.593 7.160 ( 4.120 2.500 -0.345) 4.832 7.336 ( 1.941 3.179 1.788) 4.132 7.420 ( 1.257 3.663 -1.594) 4.188 7.483 ( -8.054 -1.715 2.107) 8.499 7.535 ( -2.445 -0.115 -0.841) 2.588 7.680 ( 0.103 0.094 0.831) 0.843 7.736 ( -5.220 0.010 2.296) 5.703 7.926 ( 0.465 -7.323 -1.228) 7.439 7.986 ( -1.374 -4.488 0.309) 4.704 8.185 ( 1.012 1.381 1.541) 2.303 8.425 ( -0.001 -5.806 -1.061) 5.902 8.610 ( -2.283 4.112 1.684) 4.996 8.713 ( -1.206 2.586 2.942) 4.099 8.888 ( -0.956 10.706 0.610) 10.766 9.038 ( -4.145 -2.195 5.330) 7.100 9.274 ( 0.062 -3.306 0.648) 3.369 9.434 ( -0.387 -9.531 -1.045) 9.596 9.490 ( -0.287 1.156 3.077) 3.300 9.602 ( -7.571 -4.180 2.467) 8.993 9.891 ( -12.828 -1.341 4.252) 13.580 9.997 ( -2.310 -0.162 -4.461) 5.026 10.052 ( 4.878 0.056 -5.692) 7.496 10.177 ( 1.888 -3.657 1.580) 4.409 10.685 ( 4.715 0.834 -11.832) 12.764 10.774 ( 3.232 -2.355 -10.193) 10.949 11.389 ( -2.046 -0.502 12.143) 12.325 11.450 ( -1.350 -2.157 10.914) 11.207 12.015 ( 0.907 12.071 0.284) 12.108 12.586 ( 1.186 -9.037 0.172) 9.116 12.660 ( -0.190 29.984 -27.100) 40.416 13.066 ( -4.970 1.735 -6.327) 8.230 13.507 ( -0.201 1.605 -3.433) 3.795 13.578 ( 2.285 0.793 -3.076) 3.913 13.741 ( -3.881 1.544 4.969) 6.492 13.841 ( -1.554 -1.848 2.341) 3.363 14.599 ( 0.667 1.798 1.055) 2.189 14.701 ( 2.881 0.725 -4.188) 5.135 14.758 ( 2.295 -0.322 -5.364) 5.843 14.808 ( -0.139 -4.986 -1.370) 5.172 15.301 ( 0.557 2.400 -1.749) 3.022 15.355 ( 3.944 -0.175 -1.624) 4.268 15.855 ( -2.110 0.647 2.367) 3.236 15.983 ( 0.602 -0.853 -0.480) 1.149 16.134 ( -5.000 -4.208 6.596) 9.285 16.216 ( -3.282 -3.225 3.291) 5.657 16.477 ( 3.117 3.584 -3.619) 5.971 16.797 ( 1.072 -10.356 -1.969) 10.595 17.159 ( 0.361 1.271 0.473) 1.403 17.224 ( 0.430 -1.080 -0.384) 1.224 17.760 ( 1.345 1.029 -1.985) 2.609 17.780 ( 1.901 0.519 -0.679) 2.084 17.907 ( -18.288 3.888 -5.205) 19.408 18.039 ( -2.337 1.946 -4.744) 5.635 18.210 ( -4.646 3.822 2.860) 6.661 18.456 ( -12.490 -9.245 -0.737) 15.557 19.089 ( -3.183 2.997 6.974) 8.231 19.287 ( 1.901 -5.085 2.869) 6.140 19.485 ( 5.020 4.363 0.783) 6.697 19.565 ( 6.684 1.892 -0.372) 6.956 20.111 ( 4.332 -0.555 2.333) 4.951 20.168 ( -0.457 -1.435 1.905) 2.429 20.240 ( -1.113 2.550 0.618) 2.850 20.340 ( 1.215 -1.132 1.797) 2.447 ======================= Grid point 66 (30/96) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -1.512 6.449 13.583) 15.112 0.652 ( 2.825 1.435 15.477) 15.798 0.769 ( -3.339 -3.764 5.163) 7.209 1.060 ( 2.592 -4.517 4.589) 6.941 1.137 ( 0.166 3.830 5.527) 6.726 1.320 ( 1.545 1.190 2.122) 2.882 1.397 ( -1.573 4.262 0.620) 4.585 1.563 ( -2.626 -3.857 -3.741) 5.980 1.633 ( 3.674 3.569 -0.415) 5.138 1.732 ( -1.043 -3.137 -1.964) 3.845 1.840 ( 0.316 1.766 0.820) 1.973 1.909 ( -0.602 -0.644 -3.096) 3.219 2.000 ( 2.256 5.892 -2.862) 6.928 2.082 ( 4.691 3.523 -5.312) 7.914 2.125 ( 0.182 4.702 -3.209) 5.695 2.222 ( 2.899 -1.675 -7.996) 8.669 2.266 ( -1.667 -3.844 -5.814) 7.166 2.342 ( 1.139 -0.492 2.354) 2.661 2.537 ( -3.587 -0.793 4.658) 5.932 2.573 ( -0.645 0.743 1.970) 2.202 2.616 ( -0.961 1.151 -2.491) 2.907 2.652 ( -0.047 3.305 2.172) 3.955 2.742 ( -1.251 -0.494 -2.186) 2.567 2.832 ( -0.924 -4.388 3.762) 5.853 2.934 ( -0.257 0.502 2.016) 2.093 3.033 ( -4.358 1.083 4.682) 6.487 3.045 ( -3.325 0.162 5.376) 6.323 3.156 ( 1.496 0.898 -3.373) 3.798 3.177 ( 2.872 -1.786 -2.652) 4.298 3.225 ( -2.304 -1.800 -2.194) 3.655 3.371 ( 4.063 3.027 -1.614) 5.318 3.438 ( 1.774 3.637 -1.214) 4.225 3.630 ( 1.077 4.416 2.703) 5.289 3.688 ( -0.174 -0.198 2.583) 2.597 3.783 ( -7.681 -7.491 3.448) 11.270 3.888 ( -0.315 3.237 3.966) 5.129 4.072 ( 0.875 -4.716 2.568) 5.441 4.336 ( 1.053 -7.527 5.367) 9.304 4.559 ( -0.875 5.796 0.680) 5.901 4.576 ( -2.438 -2.673 0.393) 3.640 4.733 ( -0.385 -9.242 -2.236) 9.516 4.869 ( 3.467 -0.199 1.401) 3.744 4.945 ( 1.514 -2.414 -0.789) 2.957 5.055 ( -3.041 -6.237 3.513) 7.778 5.152 ( 5.241 4.954 -2.601) 7.667 5.212 ( 4.273 -0.198 -6.410) 7.706 5.328 ( 0.086 -1.831 -6.434) 6.690 5.479 ( 2.404 -2.923 -2.308) 4.433 5.687 ( -0.146 1.387 -2.571) 2.925 5.709 ( -5.890 0.693 0.280) 5.938 6.078 ( -1.142 5.286 -0.129) 5.410 6.132 ( -6.379 6.103 6.776) 11.129 6.238 ( 1.328 -0.295 -4.580) 4.778 6.364 ( -1.597 5.324 -0.543) 5.585 6.407 ( -0.353 0.525 -1.874) 1.977 6.807 ( -0.092 -7.095 1.986) 7.368 7.057 ( -2.241 4.328 0.573) 4.908 7.209 ( 0.767 1.465 -3.183) 3.587 7.284 ( -6.884 2.141 2.115) 7.513 7.381 ( -7.826 0.612 4.745) 9.172 7.468 ( 4.918 5.488 -0.529) 7.388 7.521 ( 2.615 2.261 -0.515) 3.495 7.671 ( -5.699 1.922 4.037) 7.244 7.711 ( 1.714 1.348 0.833) 2.334 7.915 ( -0.471 -6.934 -0.957) 7.016 7.974 ( 0.001 -3.958 -0.444) 3.983 8.213 ( 0.862 -0.484 0.739) 1.234 8.382 ( -3.872 -4.320 -0.847) 5.863 8.582 ( -3.432 5.014 2.637) 6.624 8.711 ( -2.075 0.768 2.356) 3.232 8.791 ( -11.151 14.399 2.317) 18.359 9.012 ( -6.236 -2.554 8.713) 11.015 9.248 ( -1.212 -0.254 -1.994) 2.347 9.386 ( -3.751 -0.631 1.630) 4.138 9.510 ( 0.487 -2.458 0.402) 2.538 9.554 ( -1.860 -3.329 4.304) 5.750 9.753 ( -1.653 6.290 -4.421) 7.864 9.940 ( -1.526 -0.704 -2.639) 3.128 10.083 ( 5.896 1.158 -7.090) 9.293 10.221 ( 1.397 -2.987 1.664) 3.694 10.680 ( 5.802 -0.160 -7.958) 9.849 10.783 ( 6.796 -5.358 -6.467) 10.803 11.461 ( -1.857 -0.703 9.846) 10.044 11.531 ( -1.079 -2.861 9.876) 10.338 12.039 ( 0.906 12.953 1.505) 13.071 12.294 ( -11.500 37.854 -14.695) 42.203 12.628 ( 1.750 -10.253 1.987) 10.590 12.967 ( -1.434 0.337 -5.349) 5.548 13.486 ( 0.889 -0.255 -3.920) 4.027 13.563 ( -0.214 -0.799 -3.031) 3.142 13.719 ( -4.024 1.638 4.522) 6.271 13.836 ( -2.058 -1.891 2.710) 3.893 14.623 ( 0.749 0.733 0.895) 1.378 14.721 ( 3.311 -0.169 -3.834) 5.069 14.756 ( 3.202 -0.507 -3.630) 4.867 14.781 ( -0.549 -3.265 -1.979) 3.858 15.319 ( 2.412 1.759 -0.681) 3.062 15.397 ( 4.287 -1.122 -4.954) 6.647 15.845 ( -1.669 0.029 2.232) 2.787 16.001 ( 2.032 -0.728 -0.188) 2.167 16.097 ( -5.486 -4.825 4.712) 8.694 16.198 ( -2.838 -3.733 3.501) 5.852 16.491 ( 2.258 4.014 -2.782) 5.380 16.770 ( -2.755 -5.656 -1.230) 6.410 17.167 ( -0.440 1.409 0.951) 1.756 17.222 ( -0.148 -0.780 -1.008) 1.283 17.313 ( -30.058 18.535 2.421) 35.396 17.782 ( 0.404 -0.060 -1.105) 1.178 17.799 ( -0.079 0.234 0.230) 0.337 18.039 ( -3.598 -8.804 -2.117) 9.744 18.214 ( -1.919 1.984 4.854) 5.584 18.262 ( -5.759 -0.602 2.955) 6.501 19.149 ( 2.088 1.057 6.074) 6.509 19.261 ( -3.266 -2.136 1.572) 4.207 19.565 ( 3.789 4.203 -0.709) 5.703 19.669 ( 4.747 0.740 -4.784) 6.780 20.089 ( -4.268 0.958 -1.146) 4.521 20.230 ( 1.277 -5.713 3.205) 6.674 20.294 ( 3.772 1.183 1.905) 4.388 20.390 ( 4.050 -1.564 0.045) 4.342 ======================= Grid point 67 (31/96) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.234 3.279 9.626) 10.172 0.782 ( 1.083 -2.311 4.280) 4.983 0.826 ( 1.421 3.266 10.219) 10.822 1.135 ( 0.686 -0.801 5.817) 5.912 1.231 ( 1.456 2.120 0.160) 2.576 1.340 ( 3.714 0.002 1.049) 3.859 1.374 ( -1.237 -1.707 -1.309) 2.481 1.469 ( -1.881 -6.356 -2.621) 7.128 1.659 ( -0.191 0.182 -3.981) 3.990 1.739 ( 2.929 -2.338 2.682) 4.608 1.845 ( -0.494 0.967 -2.590) 2.809 1.878 ( 0.793 2.215 -3.224) 3.991 2.022 ( 0.707 2.892 -1.892) 3.527 2.075 ( 5.551 2.851 -8.674) 10.686 2.180 ( 2.361 8.390 4.069) 9.619 2.210 ( 5.185 -4.048 -6.343) 9.138 2.231 ( 2.064 -0.552 -2.281) 3.125 2.378 ( 0.792 -2.468 1.410) 2.950 2.505 ( -3.865 4.317 0.931) 5.869 2.552 ( -4.578 0.323 0.956) 4.688 2.586 ( -3.493 -0.773 4.025) 5.385 2.617 ( 0.066 2.359 1.238) 2.666 2.752 ( 0.254 1.039 1.334) 1.709 2.852 ( -1.645 -3.180 4.873) 6.047 2.920 ( -2.346 0.938 -0.494) 2.575 2.981 ( -5.778 -1.738 4.292) 7.405 3.061 ( 0.525 1.621 2.601) 3.109 3.143 ( 1.001 -1.234 -2.794) 3.214 3.186 ( 1.734 -1.917 -3.069) 4.013 3.207 ( 1.789 1.650 -2.174) 3.263 3.401 ( 2.261 3.889 -4.659) 6.477 3.469 ( 0.799 2.494 2.558) 3.661 3.678 ( -4.026 -4.309 3.630) 6.925 3.686 ( 1.374 -1.588 1.922) 2.846 3.736 ( -0.812 0.268 4.379) 4.461 3.926 ( -0.431 3.946 4.901) 6.307 4.097 ( 0.171 -2.337 0.644) 2.430 4.389 ( -1.003 -4.605 5.537) 7.272 4.539 ( -1.557 5.796 -0.615) 6.033 4.556 ( 0.339 -0.935 -0.301) 1.039 4.708 ( 0.243 -12.100 -2.582) 12.375 4.931 ( 2.461 -0.468 1.092) 2.733 4.973 ( 3.956 1.017 -1.641) 4.402 5.036 ( -3.692 -2.117 4.663) 6.314 5.185 ( 2.357 0.810 -4.093) 4.792 5.273 ( 4.057 1.281 -9.744) 10.632 5.280 ( 3.940 -5.101 1.881) 6.714 5.495 ( 2.704 -0.996 -3.703) 4.692 5.603 ( -4.765 -0.999 -0.525) 4.897 5.673 ( -1.050 0.295 -0.558) 1.225 6.065 ( -0.263 6.466 0.068) 6.471 6.102 ( -4.840 7.932 6.606) 11.401 6.209 ( 1.087 2.641 -5.180) 5.915 6.332 ( -1.528 6.987 0.091) 7.152 6.398 ( 0.171 -4.222 -0.567) 4.264 6.819 ( -1.028 -8.247 2.335) 8.633 7.005 ( -3.347 1.429 -1.644) 3.994 7.088 ( -7.567 -0.794 -1.548) 7.765 7.253 ( -2.732 4.426 1.346) 5.373 7.318 ( -3.222 1.916 2.772) 4.662 7.525 ( -0.879 4.264 4.259) 6.091 7.586 ( 0.499 4.786 0.212) 4.816 7.624 ( -0.247 3.099 3.522) 4.698 7.752 ( 1.655 3.079 1.011) 3.639 7.902 ( 0.890 -5.576 -1.691) 5.894 7.980 ( 1.219 -3.560 -0.228) 3.770 8.221 ( -0.678 -2.482 0.085) 2.574 8.297 ( -5.270 -0.243 0.876) 5.348 8.553 ( -3.198 5.116 3.450) 6.950 8.656 ( -6.539 12.259 2.066) 14.047 8.689 ( -3.024 -1.240 1.894) 3.778 8.994 ( -5.403 -2.340 7.358) 9.424 9.217 ( 0.768 2.314 -4.124) 4.791 9.354 ( -3.826 -0.765 4.207) 5.738 9.515 ( 1.349 -2.981 -2.108) 3.892 9.583 ( 0.494 -3.519 2.664) 4.441 9.724 ( 2.266 3.610 -3.898) 5.776 9.889 ( -1.908 -1.719 -2.026) 3.271 10.110 ( 5.405 1.783 -7.117) 9.112 10.254 ( 1.267 -2.649 0.476) 2.975 10.715 ( 4.297 0.490 -2.843) 5.175 10.858 ( 7.727 -6.434 -4.095) 10.857 11.519 ( -0.698 -0.760 6.732) 6.810 11.597 ( -1.196 -3.792 7.605) 8.582 12.052 ( -5.329 24.951 -3.139) 25.706 12.075 ( -0.480 19.690 0.213) 19.697 12.674 ( 1.253 -10.895 1.682) 11.095 12.897 ( -0.742 -3.539 -5.156) 6.298 13.450 ( -0.222 0.057 -4.380) 4.386 13.530 ( -0.474 -2.241 -1.942) 3.004 13.701 ( -3.322 2.824 4.480) 6.251 13.825 ( -2.520 -1.615 3.145) 4.341 14.633 ( 0.508 -0.695 -0.966) 1.293 14.709 ( 0.409 -3.260 -3.947) 5.135 14.774 ( 1.713 0.794 -1.821) 2.623 14.804 ( 4.520 0.110 -1.413) 4.737 15.354 ( 2.776 0.891 -1.434) 3.249 15.406 ( 3.034 -0.760 -5.592) 6.408 15.842 ( -1.449 -0.141 2.432) 2.834 16.041 ( 0.929 -6.233 0.576) 6.328 16.062 ( -1.621 -0.058 3.703) 4.043 16.187 ( -2.658 -3.646 3.789) 5.892 16.500 ( 1.359 3.858 -1.897) 4.509 16.682 ( -7.635 7.624 2.208) 11.014 16.994 ( -11.684 5.235 2.499) 13.045 17.180 ( 0.257 0.992 0.196) 1.043 17.207 ( -0.675 -0.181 -1.211) 1.398 17.747 ( -4.918 -4.848 -2.387) 7.307 17.778 ( -1.668 0.137 -0.128) 1.678 17.889 ( -8.060 -11.309 0.955) 13.921 18.230 ( -2.962 3.320 5.490) 7.067 18.293 ( 1.964 0.824 3.929) 4.469 19.233 ( -1.813 0.362 3.645) 4.087 19.255 ( 2.429 -0.994 5.091) 5.728 19.588 ( 1.044 4.155 -3.751) 5.695 19.656 ( 0.272 1.433 -5.171) 5.373 20.022 ( -2.137 2.782 -0.147) 3.511 20.249 ( -0.583 -5.647 1.053) 5.773 20.368 ( 2.737 1.811 2.073) 3.882 20.456 ( 3.675 -1.979 -0.847) 4.259 ======================= Grid point 68 (32/96) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.929 1.207 4.112) 4.700 0.856 ( 3.854 -1.818 2.262) 4.824 0.930 ( 0.784 7.391 7.676) 10.684 1.173 ( -0.525 1.483 -4.563) 4.827 1.196 ( -0.657 0.683 0.453) 1.050 1.335 ( -1.381 1.462 0.070) 2.012 1.363 ( 0.385 -2.943 0.034) 2.968 1.536 ( 2.537 -4.918 3.546) 6.572 1.646 ( 2.756 4.475 1.074) 5.364 1.783 ( -1.085 2.507 -2.942) 4.015 1.842 ( 3.386 -1.888 4.610) 6.023 1.883 ( 2.896 1.820 -2.365) 4.158 1.975 ( -0.932 4.058 -5.196) 6.659 2.120 ( 4.552 -1.222 -3.377) 5.798 2.159 ( 0.083 -2.180 -4.711) 5.192 2.240 ( 1.586 -1.694 -0.991) 2.523 2.290 ( 2.348 -1.487 -1.392) 3.108 2.405 ( 1.829 -4.200 0.253) 4.588 2.433 ( -2.677 4.028 -2.160) 5.297 2.486 ( -3.307 0.576 -0.605) 3.411 2.578 ( -2.619 -2.669 7.224) 8.135 2.716 ( 5.085 1.344 4.422) 6.871 2.738 ( -4.168 3.439 2.844) 6.106 2.845 ( -3.780 0.137 1.093) 3.937 2.871 ( -2.885 -1.453 2.858) 4.313 2.952 ( -1.352 -1.686 1.765) 2.790 3.057 ( -2.682 -5.605 -0.410) 6.227 3.140 ( 1.205 -2.808 -1.878) 3.587 3.209 ( 1.418 2.680 -3.179) 4.394 3.241 ( 5.493 4.824 2.037) 7.589 3.365 ( -0.264 2.831 -5.060) 5.804 3.501 ( -0.048 5.032 3.134) 5.928 3.656 ( -2.335 -1.165 3.974) 4.754 3.739 ( 0.456 2.002 0.770) 2.193 3.759 ( 1.568 -1.658 0.725) 2.395 3.966 ( -0.968 3.110 5.761) 6.618 4.088 ( -0.807 -0.549 -1.135) 1.496 4.397 ( -4.382 2.973 4.962) 7.257 4.496 ( -0.897 2.608 -3.950) 4.818 4.578 ( 3.135 1.941 -2.743) 4.596 4.701 ( 1.617 -14.545 -0.837) 14.658 4.996 ( 1.003 -1.043 0.186) 1.459 5.013 ( 2.225 0.881 5.199) 5.724 5.044 ( -0.275 -0.339 3.916) 3.940 5.179 ( 1.247 -1.709 -3.241) 3.870 5.238 ( 1.616 -1.379 -5.374) 5.779 5.357 ( 3.967 -0.840 -3.580) 5.409 5.496 ( 1.409 0.854 -1.849) 2.476 5.554 ( -1.486 -4.373 1.433) 4.836 5.650 ( -1.176 -2.450 -0.235) 2.728 6.072 ( 0.334 6.862 1.031) 6.947 6.092 ( -3.487 8.810 5.557) 10.984 6.187 ( 1.059 4.616 -2.773) 5.488 6.318 ( -0.655 4.758 0.582) 4.839 6.397 ( 0.192 -4.702 -0.078) 4.706 6.814 ( -2.165 -9.123 1.962) 9.580 6.918 ( -4.897 -0.226 -1.026) 5.008 6.979 ( -4.257 -1.480 -0.562) 4.542 7.216 ( -1.860 4.652 0.495) 5.035 7.307 ( -0.934 2.730 0.631) 2.954 7.513 ( -5.432 4.199 4.363) 8.135 7.546 ( -4.800 5.662 5.216) 9.072 7.707 ( 5.066 2.558 -0.944) 5.753 7.780 ( 0.353 3.673 1.447) 3.963 7.913 ( 2.332 -4.155 -2.073) 5.196 8.008 ( 1.393 -4.547 0.851) 4.831 8.188 ( -3.113 -0.958 1.676) 3.662 8.250 ( -1.033 2.734 -0.754) 3.019 8.549 ( -1.323 3.424 3.666) 5.187 8.603 ( -2.458 8.324 1.763) 8.857 8.649 ( -3.469 -1.985 1.336) 4.215 8.973 ( -4.891 -2.680 6.461) 8.535 9.189 ( 0.339 1.908 -3.825) 4.287 9.329 ( -3.784 -2.536 3.385) 5.676 9.523 ( 2.682 -1.082 -2.893) 4.091 9.610 ( -0.790 -2.021 3.641) 4.239 9.742 ( 3.137 0.037 -2.382) 3.939 9.845 ( -0.708 -2.703 -2.165) 3.534 10.124 ( 4.311 2.263 -7.036) 8.557 10.269 ( 0.759 -2.722 -1.046) 3.013 10.760 ( 2.121 2.115 0.572) 3.050 10.947 ( 6.620 -6.487 -3.001) 9.742 11.563 ( 0.247 -1.052 2.989) 3.178 11.632 ( -1.600 -4.038 4.440) 6.211 11.956 ( -2.724 23.891 -1.210) 24.076 12.090 ( -0.419 15.341 1.311) 15.403 12.690 ( 0.110 -10.981 -0.600) 10.998 12.855 ( 0.111 -7.806 -2.340) 8.150 13.408 ( -0.016 1.252 -3.548) 3.762 13.511 ( 0.137 -2.560 -1.683) 3.067 13.693 ( -3.003 3.436 4.847) 6.657 13.816 ( -2.247 -1.395 3.405) 4.311 14.625 ( 0.325 -1.856 -1.789) 2.598 14.683 ( 1.127 -3.449 -3.653) 5.149 14.790 ( 2.038 2.764 -1.773) 3.865 14.862 ( 3.330 0.060 -0.656) 3.395 15.382 ( 2.427 0.259 -1.713) 2.982 15.402 ( 2.374 -0.249 -4.072) 4.720 15.839 ( -1.663 0.305 2.264) 2.825 16.039 ( -1.321 -7.633 3.111) 8.348 16.116 ( 3.016 0.605 1.062) 3.254 16.183 ( -2.151 -2.899 4.029) 5.409 16.486 ( -2.274 5.594 -0.551) 6.064 16.607 ( -3.627 14.006 3.987) 15.007 16.882 ( -4.209 -6.457 -0.716) 7.741 17.182 ( -0.429 0.570 -0.846) 1.107 17.187 ( -0.240 0.569 0.107) 0.627 17.596 ( -9.285 -14.810 0.312) 17.482 17.750 ( -1.252 0.831 -0.815) 1.710 17.823 ( -2.956 -3.797 1.667) 5.093 18.216 ( -3.667 4.976 3.018) 6.879 18.349 ( 0.177 -0.747 3.302) 3.390 19.225 ( -3.060 2.831 3.223) 5.269 19.346 ( 2.278 -2.843 3.707) 5.198 19.542 ( -0.540 3.492 -4.205) 5.493 19.598 ( -1.255 1.362 -4.557) 4.919 20.020 ( 0.886 3.640 0.889) 3.850 20.247 ( -0.054 -4.658 -0.065) 4.659 20.421 ( 1.592 1.861 1.090) 2.681 20.492 ( 2.023 -1.433 -1.358) 2.827 ======================= Grid point 69 (33/96) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 1.927 2.017 1.215) 3.043 0.943 ( 3.357 -2.114 2.202) 4.538 0.996 ( -0.599 10.530 4.959) 11.655 1.107 ( 1.386 2.942 -7.033) 7.748 1.190 ( -0.000 -1.162 0.345) 1.212 1.333 ( 0.655 3.186 1.883) 3.759 1.427 ( 0.928 -2.247 8.138) 8.493 1.550 ( 0.462 -2.941 -1.856) 3.508 1.710 ( -1.951 3.787 1.290) 4.451 1.760 ( 1.782 4.606 0.870) 5.015 1.883 ( -0.211 2.605 -5.239) 5.855 1.925 ( 2.527 2.709 -1.360) 3.946 1.962 ( 2.312 -3.705 4.113) 5.999 2.105 ( -0.646 0.260 -0.589) 0.912 2.158 ( 1.224 -0.754 -1.577) 2.134 2.257 ( 0.549 -5.181 -0.748) 5.263 2.291 ( 1.704 0.485 -0.834) 1.958 2.395 ( -2.085 0.196 2.147) 2.999 2.440 ( -0.573 -1.759 -1.616) 2.456 2.455 ( 5.628 -0.661 -3.678) 6.756 2.609 ( -2.030 -3.710 6.407) 7.677 2.672 ( -5.147 3.521 0.968) 6.311 2.788 ( -1.004 -1.760 0.872) 2.206 2.798 ( -0.553 -0.986 -1.338) 1.751 2.857 ( -1.425 -1.873 -0.422) 2.391 2.962 ( 0.575 -2.214 1.965) 3.016 2.999 ( -3.891 -7.222 1.087) 8.275 3.147 ( 0.638 -5.200 -0.300) 5.248 3.187 ( 0.440 4.233 -4.918) 6.504 3.289 ( -1.716 -0.153 -1.008) 1.996 3.380 ( 5.397 8.755 0.458) 10.295 3.526 ( -0.017 8.398 1.647) 8.559 3.649 ( -2.784 1.595 2.284) 3.938 3.711 ( -3.080 2.613 -0.238) 4.046 3.803 ( 3.434 -0.617 -1.409) 3.762 4.000 ( -1.737 1.565 5.631) 6.097 4.059 ( 0.356 -2.548 -3.671) 4.483 4.347 ( -6.489 10.677 4.724) 13.357 4.445 ( 0.998 -0.850 -6.032) 6.172 4.584 ( 3.532 4.179 -7.056) 8.929 4.753 ( 2.209 -14.481 3.057) 14.964 4.994 ( -2.736 -0.070 4.429) 5.206 5.068 ( -0.506 -0.257 2.323) 2.391 5.130 ( 3.821 -2.615 3.877) 6.039 5.168 ( 0.280 -0.740 -1.430) 1.634 5.227 ( 1.649 -2.221 -0.386) 2.793 5.353 ( 2.191 4.393 -5.515) 7.383 5.521 ( 1.986 -2.616 -0.581) 3.335 5.561 ( -0.999 -5.284 3.526) 6.430 5.630 ( -0.912 -3.382 -0.085) 3.504 6.087 ( -1.094 10.768 2.679) 11.150 6.094 ( -1.309 4.495 3.733) 5.987 6.196 ( 1.364 4.537 0.491) 4.763 6.319 ( 0.046 3.279 0.690) 3.351 6.405 ( 0.527 -4.917 0.627) 4.984 6.786 ( -2.498 -9.988 0.933) 10.338 6.843 ( -3.376 0.967 0.271) 3.522 6.935 ( -1.383 -1.842 1.108) 2.556 7.212 ( 0.948 4.031 0.168) 4.145 7.289 ( -1.500 2.874 -0.196) 3.248 7.464 ( -4.764 5.773 3.941) 8.459 7.517 ( -4.474 5.020 4.452) 8.064 7.761 ( 2.843 1.427 -1.271) 3.426 7.793 ( -0.113 2.945 1.022) 3.119 7.934 ( 1.991 -2.610 -1.209) 3.498 8.025 ( -0.170 -6.883 0.400) 6.897 8.178 ( -0.982 3.851 2.803) 4.864 8.229 ( -0.017 3.404 -1.512) 3.724 8.574 ( 0.054 2.472 2.954) 3.852 8.595 ( -1.216 3.745 1.144) 4.100 8.606 ( -3.196 -0.639 3.540) 4.812 8.960 ( -4.021 -2.905 6.709) 8.344 9.160 ( 0.616 1.108 -3.353) 3.585 9.286 ( -3.713 -3.810 0.762) 5.374 9.557 ( 3.309 0.658 -0.148) 3.377 9.628 ( -1.734 -0.741 4.428) 4.813 9.776 ( 2.618 -2.273 -0.806) 3.559 9.826 ( 1.208 -3.666 -2.698) 4.709 10.118 ( 3.423 2.681 -7.582) 8.740 10.257 ( -0.112 -2.590 -2.460) 3.573 10.792 ( 0.328 3.409 1.838) 3.887 11.011 ( 4.306 -6.170 -3.067) 8.125 11.576 ( -0.082 -1.595 -0.930) 1.848 11.625 ( -2.457 -3.473 1.021) 4.375 11.926 ( -0.906 20.896 0.584) 20.923 12.081 ( -1.002 15.572 -0.537) 15.613 12.684 ( 0.672 -11.230 -1.023) 11.297 12.842 ( 0.003 -10.402 -1.308) 10.484 13.386 ( 1.026 2.199 -2.709) 3.637 13.500 ( 0.512 -2.310 -1.708) 2.918 13.692 ( -2.990 3.672 5.409) 7.190 13.816 ( -1.741 -1.322 3.564) 4.181 14.618 ( 0.772 -2.239 -1.413) 2.758 14.677 ( 1.963 -3.488 -3.255) 5.159 14.804 ( 1.533 3.627 -1.688) 4.284 14.897 ( 1.682 -0.071 -0.810) 1.868 15.405 ( 1.946 -0.081 -1.077) 2.226 15.414 ( 2.463 -0.252 -1.648) 2.974 15.833 ( -1.324 1.153 1.906) 2.591 16.057 ( -0.879 -6.296 3.730) 7.371 16.150 ( -0.488 -0.341 0.929) 1.103 16.200 ( 0.068 -2.902 2.898) 4.102 16.425 ( -3.666 9.063 -0.275) 9.780 16.627 ( -0.091 12.272 5.001) 13.252 16.819 ( -1.518 -11.089 -2.569) 11.483 17.170 ( -0.258 0.698 0.251) 0.786 17.189 ( 0.097 0.494 0.458) 0.681 17.481 ( -5.782 -16.723 2.759) 17.908 17.724 ( -0.747 1.326 -0.826) 1.732 17.805 ( -1.578 -2.924 2.670) 4.263 18.165 ( -3.550 7.098 -0.918) 7.990 18.360 ( -1.322 -1.557 1.209) 2.374 19.183 ( -3.301 4.227 -0.501) 5.386 19.375 ( -0.529 -4.277 -1.562) 4.584 19.537 ( 1.881 1.977 0.643) 2.804 19.552 ( 0.012 2.516 -0.584) 2.583 20.044 ( 0.652 3.513 0.382) 3.593 20.247 ( 0.238 -4.081 -0.489) 4.117 20.435 ( 0.207 1.890 -1.413) 2.369 20.505 ( 1.103 -1.015 -1.295) 1.981 ======================= Grid point 70 (34/96) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.200 4.624 -0.399) 4.646 0.957 ( -4.620 6.945 1.530) 8.481 1.007 ( -2.102 2.842 4.300) 5.567 1.123 ( 5.788 3.037 -3.232) 7.291 1.234 ( 4.421 -1.640 1.840) 5.061 1.394 ( 2.821 -0.008 2.953) 4.085 1.500 ( -4.552 1.837 11.343) 12.360 1.537 ( -1.080 -1.438 -0.182) 1.808 1.670 ( -0.126 0.913 -2.435) 2.604 1.734 ( -2.279 5.068 -2.901) 6.268 1.882 ( 2.401 0.192 -2.556) 3.512 1.953 ( 1.162 0.693 -0.219) 1.370 1.983 ( -0.388 -5.324 1.188) 5.468 2.126 ( -2.086 3.920 4.057) 6.015 2.164 ( 2.964 -0.222 -1.744) 3.446 2.279 ( 4.234 -1.596 0.227) 4.530 2.338 ( -0.319 1.967 4.114) 4.571 2.379 ( 0.042 -3.993 -0.569) 4.034 2.428 ( -0.717 2.051 0.364) 2.203 2.513 ( 3.731 2.316 -2.531) 5.069 2.589 ( -4.987 -0.057 2.883) 5.760 2.634 ( 0.439 -2.574 -1.567) 3.045 2.747 ( -3.707 -3.102 -1.067) 4.950 2.785 ( -2.187 0.016 1.013) 2.411 2.803 ( -0.659 -0.853 -3.256) 3.429 2.930 ( 0.508 -3.972 -5.708) 6.972 3.005 ( -1.699 -6.522 4.776) 8.260 3.138 ( -0.237 0.571 -1.641) 1.753 3.158 ( 0.799 -4.657 -1.647) 5.004 3.264 ( 0.475 0.420 -1.502) 1.630 3.443 ( 1.099 4.793 -0.199) 4.921 3.524 ( -0.409 10.430 -1.046) 10.490 3.589 ( -4.218 0.938 -1.852) 4.701 3.661 ( -2.164 4.206 -0.270) 4.738 3.841 ( 0.856 0.311 1.143) 1.462 3.989 ( -2.122 0.450 -1.159) 2.460 4.050 ( 1.389 -5.178 -1.229) 5.500 4.292 ( -4.925 10.235 4.267) 12.133 4.426 ( 2.196 -0.160 -3.480) 4.119 4.578 ( 3.275 5.798 -5.522) 8.651 4.791 ( -0.740 -12.944 0.996) 13.003 4.989 ( -3.158 0.019 4.738) 5.694 5.065 ( -0.491 1.284 -1.684) 2.174 5.154 ( -0.353 -1.452 0.746) 1.671 5.198 ( 1.598 -2.563 3.852) 4.895 5.297 ( -0.978 -2.305 3.919) 4.650 5.364 ( 5.998 5.214 -1.706) 8.128 5.528 ( 0.920 -3.708 -2.818) 4.747 5.578 ( -2.194 -4.468 4.938) 7.011 5.622 ( -0.028 -2.578 0.248) 2.590 6.093 ( -1.061 10.950 2.598) 11.304 6.113 ( -1.184 3.008 4.361) 5.428 6.239 ( 1.983 2.368 2.184) 3.783 6.330 ( -0.085 3.054 1.632) 3.464 6.428 ( 1.344 -5.585 0.823) 5.803 6.756 ( -1.492 -10.231 -0.373) 10.346 6.825 ( 0.327 3.277 2.002) 3.854 6.945 ( 0.745 -2.062 1.585) 2.705 7.247 ( 1.372 3.541 0.785) 3.878 7.256 ( -0.931 3.447 -0.143) 3.574 7.430 ( -3.453 6.389 3.264) 7.962 7.487 ( -3.277 4.264 3.230) 6.273 7.778 ( -0.388 4.027 0.182) 4.050 7.805 ( 1.737 -0.614 -0.539) 1.920 7.955 ( 1.431 -1.024 -0.723) 1.903 8.020 ( -0.024 -6.239 -0.444) 6.255 8.183 ( -1.701 4.678 2.849) 5.735 8.230 ( 0.779 2.783 -0.084) 2.891 8.562 ( -2.377 -0.090 1.020) 2.589 8.594 ( -0.477 3.666 2.300) 4.354 8.636 ( -0.461 0.234 5.492) 5.516 8.968 ( -3.396 -2.983 7.611) 8.852 9.152 ( 2.161 0.261 -3.095) 3.783 9.230 ( -2.590 -3.590 -0.871) 4.512 9.626 ( 1.204 0.995 2.649) 3.075 9.638 ( -0.049 0.858 4.049) 4.139 9.810 ( 1.031 -3.775 1.247) 4.107 9.831 ( 2.321 -4.644 -2.374) 5.709 10.096 ( 3.348 2.878 -8.769) 9.818 10.220 ( -0.759 -2.163 -3.581) 4.252 10.806 ( -0.726 4.065 1.797) 4.503 11.031 ( 1.993 -5.372 -3.642) 6.789 11.537 ( -1.585 -2.192 -4.364) 5.134 11.571 ( -3.577 -2.718 -1.481) 4.730 11.931 ( 0.451 20.814 1.275) 20.858 12.053 ( -0.682 15.018 -1.900) 15.153 12.698 ( 1.016 -11.961 0.119) 12.005 12.828 ( 0.767 -10.781 -2.071) 11.005 13.389 ( 2.017 2.486 -2.074) 3.815 13.497 ( 1.276 -1.566 -1.982) 2.830 13.696 ( -3.012 3.571 5.986) 7.593 13.822 ( -1.730 -1.329 3.574) 4.187 14.623 ( 1.121 -2.007 -1.045) 2.525 14.685 ( 2.412 -3.462 -2.782) 5.054 14.808 ( 0.751 3.334 -1.344) 3.672 14.901 ( 0.126 -0.290 -1.384) 1.420 15.426 ( 1.163 -0.154 -0.155) 1.184 15.453 ( 3.011 -1.079 0.095) 3.200 15.833 ( -0.827 2.169 1.990) 3.057 16.068 ( -2.482 -3.674 3.973) 5.953 16.130 ( -2.708 -0.421 0.771) 2.847 16.223 ( -0.336 -4.972 2.301) 5.489 16.374 ( -1.153 8.709 -1.625) 8.934 16.671 ( -1.522 8.574 5.710) 10.413 16.796 ( 1.704 -8.476 -1.286) 8.741 17.176 ( 0.058 0.718 0.811) 1.084 17.200 ( 0.329 0.311 0.992) 1.091 17.463 ( -0.197 -14.958 3.911) 15.462 17.712 ( 0.264 1.733 -0.608) 1.855 17.824 ( -0.167 -4.224 4.470) 6.152 18.084 ( -2.380 9.027 -5.331) 10.750 18.332 ( -1.915 -2.142 -1.089) 3.073 19.126 ( -1.540 3.738 -2.051) 4.533 19.314 ( -2.198 -4.588 -5.057) 7.173 19.578 ( 2.157 3.418 2.949) 5.003 19.608 ( 2.992 1.217 2.984) 4.398 20.043 ( -0.741 3.350 -0.183) 3.436 20.240 ( -0.187 -4.345 -1.147) 4.498 20.408 ( -0.583 2.535 -2.924) 3.913 20.503 ( 0.402 -1.502 -1.886) 2.444 ======================= Grid point 71 (35/96) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -5.050 12.600 -1.516) 13.659 0.896 ( -4.648 4.045 3.340) 7.009 1.001 ( -3.196 0.508 4.546) 5.580 1.205 ( 5.174 2.914 -0.473) 5.957 1.344 ( 2.489 -0.392 4.976) 5.577 1.417 ( -0.618 -6.796 -0.436) 6.838 1.448 ( -9.949 3.728 5.973) 12.188 1.570 ( 1.636 2.961 5.188) 6.193 1.659 ( 0.843 -0.526 -1.331) 1.661 1.721 ( 2.895 2.972 -2.132) 4.665 1.869 ( 0.979 -1.972 -2.501) 3.332 1.926 ( -5.777 -6.727 0.835) 8.907 2.006 ( 1.360 2.504 1.287) 3.127 2.155 ( 1.233 0.918 -0.117) 1.542 2.208 ( 4.698 3.196 0.411) 5.697 2.303 ( -2.220 -2.152 -2.382) 3.903 2.339 ( -4.740 4.411 0.416) 6.488 2.405 ( -0.614 3.458 1.257) 3.731 2.420 ( 0.085 0.556 4.786) 4.819 2.481 ( -1.296 2.376 -3.748) 4.623 2.563 ( -1.122 -1.949 -1.374) 2.635 2.617 ( 3.821 0.079 -2.080) 4.351 2.694 ( -0.929 1.478 -0.792) 1.917 2.741 ( -2.741 0.951 0.686) 2.982 2.790 ( -0.878 -0.980 1.623) 2.089 2.935 ( 5.526 -1.612 -5.717) 8.113 3.003 ( -1.805 -5.481 2.365) 6.236 3.138 ( -1.682 -8.329 1.624) 8.651 3.180 ( 4.661 -0.779 -0.407) 4.744 3.271 ( 2.277 -0.688 -2.310) 3.316 3.410 ( -2.595 5.636 -2.190) 6.580 3.496 ( -1.974 -0.436 -3.825) 4.326 3.499 ( -2.155 2.547 -1.480) 3.650 3.641 ( 0.198 4.351 -0.537) 4.388 3.844 ( -2.422 0.862 2.715) 3.739 3.946 ( -0.097 -1.338 -3.090) 3.369 4.061 ( -0.005 -5.341 0.724) 5.390 4.262 ( -2.836 6.515 2.560) 7.553 4.437 ( 1.376 1.090 -1.205) 2.129 4.590 ( 2.816 7.247 -2.621) 8.205 4.748 ( -3.990 -11.838 -0.713) 12.513 4.980 ( -2.115 -0.526 2.472) 3.295 5.031 ( -0.821 2.034 -2.065) 3.013 5.183 ( 0.958 0.849 3.094) 3.349 5.245 ( -2.297 0.091 2.960) 3.748 5.273 ( -2.034 -2.775 2.473) 4.237 5.466 ( 4.406 0.751 -1.451) 4.699 5.515 ( 0.464 -1.054 -0.516) 1.262 5.584 ( -1.542 -4.517 4.942) 6.871 5.638 ( 1.244 -1.669 0.922) 2.277 6.102 ( -0.417 10.633 1.894) 10.809 6.134 ( -1.901 2.698 5.311) 6.253 6.288 ( 1.288 -1.554 1.141) 2.319 6.352 ( -0.059 4.770 4.034) 6.247 6.465 ( 1.927 -6.125 0.804) 6.471 6.734 ( 0.227 -7.277 -1.484) 7.431 6.888 ( 3.679 1.871 3.280) 5.272 6.977 ( 1.942 -0.844 -0.193) 2.126 7.203 ( -3.347 4.248 -0.291) 5.416 7.311 ( 3.123 3.333 0.667) 4.616 7.420 ( -1.672 5.793 3.994) 7.232 7.477 ( -1.044 3.361 2.773) 4.481 7.765 ( -1.106 4.479 0.487) 4.639 7.833 ( 1.380 0.414 0.129) 1.446 7.964 ( 1.076 -0.945 -1.301) 1.935 8.021 ( 0.466 -4.263 -0.438) 4.311 8.191 ( -1.113 2.514 4.344) 5.141 8.235 ( -0.917 1.228 0.755) 1.709 8.546 ( -1.091 1.222 2.000) 2.586 8.607 ( -0.500 4.022 2.229) 4.626 8.679 ( -0.772 -0.137 5.461) 5.517 8.988 ( -3.265 -3.072 8.113) 9.269 9.175 ( 3.689 -1.592 -2.582) 4.776 9.193 ( -0.403 -2.619 -1.197) 2.908 9.609 ( -4.023 2.192 2.992) 5.472 9.728 ( 4.316 1.565 2.207) 5.094 9.825 ( -0.791 -6.252 2.424) 6.752 9.871 ( 2.324 -3.963 2.372) 5.170 10.065 ( 3.856 2.585 -10.089) 11.106 10.169 ( -0.785 -1.761 -4.060) 4.494 10.806 ( -0.619 4.377 0.871) 4.506 11.015 ( 0.701 -3.943 -4.040) 5.689 11.448 ( -2.689 -2.206 -6.153) 7.068 11.483 ( -4.837 -2.904 -1.725) 5.900 11.966 ( 2.647 23.948 0.920) 24.111 12.029 ( -0.045 13.422 -1.607) 13.518 12.692 ( -1.419 -12.502 -1.067) 12.627 12.856 ( 4.389 -9.361 -0.726) 10.365 13.413 ( 2.824 2.237 -1.533) 3.915 13.506 ( 2.333 -0.445 -2.447) 3.410 13.708 ( -2.704 2.949 6.639) 7.752 13.826 ( -1.822 -1.299 3.435) 4.100 14.630 ( 0.921 -1.042 -1.494) 2.042 14.701 ( 2.550 -3.275 -2.501) 4.846 14.805 ( 0.055 1.870 -0.665) 1.986 14.876 ( -1.134 -0.495 -2.213) 2.535 15.433 ( -0.324 0.095 -0.232) 0.410 15.509 ( 3.297 -3.172 -0.188) 4.579 15.843 ( -0.729 3.190 2.791) 4.301 16.050 ( -3.968 -1.480 4.079) 5.880 16.083 ( -3.200 -0.561 0.408) 3.274 16.238 ( -1.424 -6.361 4.067) 7.684 16.360 ( 1.883 7.270 -2.673) 7.971 16.683 ( -1.445 -1.816 3.050) 3.832 16.854 ( 2.474 3.820 5.134) 6.861 17.181 ( -0.051 1.512 0.353) 1.553 17.217 ( 0.381 -0.155 0.968) 1.052 17.539 ( 4.753 -10.158 2.680) 11.531 17.723 ( 1.528 1.840 -0.258) 2.406 17.889 ( 1.268 -6.594 7.189) 9.838 17.995 ( -0.078 9.687 -8.107) 12.632 18.278 ( -2.135 -2.703 -3.015) 4.578 19.099 ( 0.391 1.747 -1.383) 2.262 19.219 ( -2.891 -3.542 -5.516) 7.164 19.648 ( 2.032 3.693 2.583) 4.943 19.691 ( 3.430 1.439 2.869) 4.698 20.028 ( -0.792 2.555 0.911) 2.826 20.216 ( -0.630 -4.561 -2.391) 5.189 20.369 ( -0.901 2.648 -2.343) 3.649 20.481 ( -0.135 -2.257 -2.949) 3.716 ======================= Grid point 72 (36/96) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -6.500 16.317 0.887) 17.586 0.843 ( -7.061 2.440 4.895) 8.932 0.996 ( -3.250 -0.229 5.345) 6.260 1.218 ( -4.073 -2.385 -1.547) 4.967 1.286 ( -12.445 6.362 7.605) 15.912 1.405 ( 2.331 -1.651 3.194) 4.285 1.504 ( 3.383 -1.728 3.334) 5.055 1.572 ( -1.849 -4.197 -1.930) 4.976 1.704 ( 0.518 1.575 3.140) 3.551 1.750 ( 3.994 4.192 -5.231) 7.803 1.836 ( -5.913 -1.654 4.442) 7.578 1.872 ( 1.076 -0.231 -3.594) 3.759 2.015 ( -2.357 3.513 -2.010) 4.684 2.032 ( -8.917 2.550 -0.377) 9.282 2.239 ( 3.278 1.539 -7.003) 7.884 2.258 ( -0.150 -0.033 0.840) 0.854 2.339 ( 3.034 3.178 2.288) 4.954 2.423 ( -0.882 4.089 0.118) 4.185 2.440 ( 1.494 -0.231 0.648) 1.645 2.465 ( 1.555 3.630 -0.333) 3.963 2.576 ( 1.558 -3.072 -0.911) 3.563 2.651 ( 1.290 -3.089 -0.987) 3.490 2.708 ( 2.433 2.490 3.718) 5.093 2.738 ( 1.522 5.868 -1.635) 6.279 2.783 ( -2.669 -2.792 4.314) 5.791 2.972 ( 3.413 -1.336 -3.305) 4.935 2.993 ( -2.912 -2.533 2.225) 4.455 3.130 ( 1.682 -6.657 -0.454) 6.881 3.257 ( 2.344 3.378 -0.550) 4.148 3.289 ( 2.284 -1.520 -0.468) 2.783 3.341 ( -3.314 4.552 -2.201) 6.046 3.453 ( 0.648 -3.098 -2.343) 3.938 3.498 ( 4.940 -2.993 -0.123) 5.777 3.628 ( -1.609 -2.361 -0.972) 3.018 3.833 ( -1.178 2.240 2.042) 3.251 3.920 ( -1.655 -0.727 0.077) 1.809 4.061 ( -1.036 -6.303 0.996) 6.465 4.236 ( -2.256 2.716 0.628) 3.586 4.445 ( 0.569 1.814 -0.280) 1.921 4.617 ( 2.108 8.207 -1.412) 8.590 4.670 ( -3.576 -10.983 -0.276) 11.553 4.962 ( -0.501 -2.880 -1.505) 3.288 5.011 ( -2.280 1.846 3.476) 4.548 5.172 ( -4.460 -0.792 -2.451) 5.151 5.225 ( -0.842 2.591 3.571) 4.491 5.276 ( -2.622 1.307 2.962) 4.166 5.463 ( 0.062 -4.400 -2.366) 4.996 5.517 ( -0.617 -1.847 -0.442) 1.997 5.658 ( 1.744 -2.357 5.690) 6.401 5.678 ( 3.134 1.238 1.190) 3.574 6.116 ( 0.242 10.376 1.313) 10.461 6.146 ( -2.637 2.683 4.976) 6.238 6.299 ( -0.446 -1.983 0.580) 2.114 6.403 ( 0.900 3.924 3.998) 5.674 6.493 ( 0.461 -4.552 0.441) 4.597 6.740 ( 1.891 -5.209 -1.165) 5.662 6.972 ( 2.332 0.528 -0.121) 2.394 7.021 ( 4.760 1.687 0.800) 5.113 7.146 ( -2.129 4.954 -1.179) 5.519 7.358 ( 2.032 0.596 0.384) 2.152 7.445 ( -0.207 4.144 3.663) 5.534 7.520 ( 2.450 3.655 4.035) 5.970 7.754 ( -1.381 3.803 1.209) 4.223 7.839 ( -2.295 3.285 2.278) 4.610 7.980 ( 3.093 -0.877 -2.352) 3.983 8.015 ( -1.015 -4.090 -0.554) 4.250 8.211 ( -3.206 -0.862 1.655) 3.709 8.236 ( 0.976 -0.014 5.391) 5.479 8.564 ( 0.524 2.337 2.386) 3.380 8.624 ( 0.220 4.344 2.235) 4.891 8.717 ( -0.882 2.855 5.805) 6.529 9.010 ( -3.040 -2.933 7.226) 8.370 9.185 ( 1.202 -2.746 -1.195) 3.227 9.233 ( 4.637 -4.028 -0.424) 6.157 9.560 ( -4.529 2.712 2.317) 5.765 9.775 ( 1.940 -1.822 -4.092) 4.881 9.872 ( -0.980 -4.241 10.912) 11.748 9.943 ( 1.897 -2.935 4.890) 6.010 10.035 ( 4.654 1.671 -10.744) 11.827 10.124 ( -0.165 -1.841 -3.218) 3.711 10.803 ( 0.735 4.555 -1.928) 5.001 10.985 ( 0.727 -2.183 -4.217) 4.804 11.344 ( -3.282 -2.053 -4.346) 5.820 11.391 ( -5.251 -3.445 1.059) 6.369 12.005 ( 1.443 14.946 -2.607) 15.240 12.069 ( 6.666 26.976 2.420) 27.893 12.645 ( -1.907 -11.914 -2.060) 12.241 12.943 ( 5.646 -6.821 0.474) 8.867 13.451 ( 3.200 1.627 -1.099) 3.755 13.527 ( 3.239 0.675 -2.880) 4.386 13.735 ( -1.969 1.839 7.070) 7.566 13.829 ( -1.518 -1.178 3.265) 3.789 14.622 ( 0.239 0.398 -2.121) 2.171 14.721 ( 2.664 -2.800 -2.611) 4.664 14.800 ( -0.123 -0.289 -0.211) 0.378 14.824 ( -1.728 -0.560 -3.107) 3.599 15.407 ( -2.055 0.584 -1.075) 2.392 15.537 ( 1.855 -5.622 -4.033) 7.163 15.861 ( -1.002 3.665 3.759) 5.345 16.028 ( -2.805 -2.164 2.633) 4.414 16.048 ( -2.783 -0.006 4.624) 5.398 16.251 ( -2.622 -5.455 5.580) 8.232 16.381 ( 4.058 5.722 -3.537) 7.856 16.696 ( 0.413 -6.872 1.715) 7.095 16.970 ( 2.634 11.811 10.437) 15.980 17.193 ( 0.770 3.849 2.071) 4.438 17.228 ( 0.232 0.414 0.563) 0.737 17.643 ( 5.845 -4.208 -0.813) 7.248 17.759 ( 2.580 1.810 0.584) 3.205 17.910 ( 1.623 8.486 -7.969) 11.753 18.035 ( 4.354 -7.598 9.490) 12.913 18.210 ( -1.762 -2.836 -3.783) 5.045 19.106 ( -0.214 -1.520 -2.648) 3.060 19.122 ( -1.189 -1.738 -2.525) 3.287 19.668 ( -1.245 4.486 -0.454) 4.678 19.770 ( 3.016 1.341 1.987) 3.853 20.055 ( 1.638 0.018 3.364) 3.742 20.177 ( -0.683 -4.185 -3.200) 5.312 20.332 ( -1.630 1.779 -1.203) 2.696 20.444 ( -0.568 -2.513 -3.495) 4.342 ======================= Grid point 73 (37/96) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -6.612 14.917 6.303) 17.491 0.739 ( -10.601 4.695 3.225) 12.034 0.974 ( -7.133 0.408 6.022) 9.344 1.083 ( -7.342 -1.599 -0.889) 7.567 1.192 ( -6.993 1.716 4.949) 8.737 1.374 ( -15.119 15.820 7.061) 22.994 1.485 ( -4.196 -6.451 -1.129) 7.778 1.590 ( 5.013 0.786 0.426) 5.092 1.718 ( 0.041 -0.760 2.018) 2.157 1.736 ( 1.718 0.104 -0.630) 1.832 1.811 ( 2.567 4.992 -7.305) 9.212 1.873 ( 0.873 4.157 -1.148) 4.401 1.936 ( -1.208 -0.564 5.578) 5.735 2.049 ( 3.593 -1.820 -3.026) 5.037 2.240 ( 1.084 -3.246 -2.543) 4.264 2.254 ( 0.054 1.147 -0.734) 1.363 2.345 ( -0.885 -0.268 -1.671) 1.910 2.415 ( 4.015 4.700 -2.837) 6.801 2.478 ( 1.581 -2.748 -2.191) 3.854 2.517 ( 1.960 4.188 1.933) 5.012 2.602 ( 0.674 -0.816 1.629) 1.943 2.629 ( 0.183 -2.583 -5.367) 5.960 2.749 ( 0.674 4.418 1.569) 4.737 2.790 ( 2.084 0.257 3.303) 3.914 2.820 ( -0.609 -0.654 7.165) 7.221 2.938 ( -3.007 -2.585 1.122) 4.121 2.998 ( 2.046 -2.262 -1.142) 3.257 3.188 ( 4.124 -2.193 -0.296) 4.681 3.247 ( -1.021 3.334 -4.130) 5.405 3.295 ( -1.377 2.078 3.249) 4.095 3.306 ( -0.699 0.163 0.958) 1.197 3.482 ( 5.715 -1.425 -4.927) 7.679 3.554 ( -1.314 -4.456 -1.159) 4.788 3.642 ( 5.880 -1.813 1.738) 6.394 3.840 ( -1.771 1.091 3.797) 4.330 3.879 ( -3.580 0.501 0.740) 3.690 4.046 ( -2.186 -6.728 1.537) 7.240 4.205 ( -1.766 -1.441 0.664) 2.374 4.462 ( 1.553 1.818 0.712) 2.495 4.594 ( -1.322 -1.886 -1.044) 2.529 4.672 ( 2.032 -1.886 0.053) 2.772 4.944 ( 0.884 -4.468 -2.683) 5.286 5.013 ( -3.719 -0.410 5.624) 6.755 5.059 ( -6.638 -2.526 0.455) 7.117 5.205 ( -3.204 5.077 -0.380) 6.016 5.256 ( -0.242 3.931 -1.342) 4.161 5.449 ( -0.654 -6.213 0.241) 6.252 5.498 ( -0.146 -2.720 -2.134) 3.461 5.694 ( -0.086 -0.310 1.726) 1.756 5.774 ( 3.379 1.557 3.399) 5.039 6.135 ( 0.018 5.769 1.191) 5.891 6.145 ( -2.000 5.805 4.151) 7.411 6.292 ( -0.940 -1.565 0.415) 1.872 6.437 ( -0.331 0.020 0.985) 1.039 6.493 ( -0.259 2.297 0.200) 2.320 6.764 ( 1.513 -5.195 -0.360) 5.423 6.988 ( 1.899 3.977 -1.766) 4.748 7.089 ( 0.879 3.410 -0.121) 3.524 7.158 ( 5.301 2.759 0.336) 5.986 7.391 ( 1.110 -2.376 1.084) 2.838 7.481 ( 1.784 3.147 1.133) 3.791 7.611 ( 3.237 1.937 3.178) 4.932 7.726 ( -4.565 1.569 1.871) 5.177 7.815 ( -3.948 4.543 5.159) 7.927 7.976 ( -1.383 -5.370 -2.886) 6.252 8.012 ( 2.411 -0.516 -1.691) 2.990 8.169 ( -3.261 -1.412 1.845) 4.004 8.321 ( 2.614 -3.188 5.221) 6.652 8.600 ( 1.246 2.698 1.324) 3.253 8.659 ( 0.688 3.778 3.087) 4.927 8.769 ( 0.506 8.776 6.074) 10.685 9.025 ( -2.164 -2.634 5.206) 6.223 9.205 ( 2.353 -2.741 -1.047) 3.761 9.320 ( 4.297 -7.594 2.532) 9.085 9.510 ( -3.930 2.632 2.355) 5.284 9.748 ( -0.342 -4.584 -3.766) 5.943 9.951 ( -1.322 -2.393 7.462) 7.947 10.009 ( 3.511 -0.236 -3.535) 4.988 10.037 ( 1.671 -4.578 3.010) 5.728 10.112 ( 0.972 -3.176 -0.141) 3.324 10.786 ( 2.225 3.909 -7.367) 8.631 10.955 ( 0.974 -1.915 -6.252) 6.611 11.272 ( -3.878 -0.779 3.429) 5.235 11.347 ( -3.710 -3.120 6.024) 7.733 12.002 ( 0.807 11.961 -1.583) 12.092 12.292 ( 18.925 35.216 0.392) 39.981 12.600 ( -1.209 -10.975 -1.614) 11.158 13.042 ( 5.336 -3.430 0.700) 6.382 13.496 ( 3.253 1.131 -0.859) 3.550 13.556 ( 3.369 1.207 -3.036) 4.693 13.770 ( -1.749 0.603 5.928) 6.210 13.838 ( -1.063 -0.943 3.069) 3.382 14.601 ( -0.260 1.518 -1.761) 2.340 14.739 ( 2.559 -1.408 -2.941) 4.145 14.761 ( -0.683 -0.313 -4.467) 4.530 14.804 ( 0.323 -2.726 0.075) 2.747 15.353 ( -2.540 1.161 -1.502) 3.171 15.484 ( -1.167 -5.063 -7.997) 9.537 15.873 ( -1.831 2.733 3.340) 4.688 16.004 ( -1.654 -1.672 0.633) 2.435 16.083 ( -1.915 -1.829 9.123) 9.500 16.255 ( -3.587 -4.385 5.858) 8.149 16.420 ( 4.944 4.381 -4.464) 7.972 16.732 ( 2.539 -9.859 0.460) 10.191 17.104 ( 2.753 5.256 3.517) 6.897 17.220 ( 0.112 -1.406 -0.164) 1.420 17.360 ( 9.676 19.554 19.980) 29.584 17.711 ( 4.314 -0.656 -2.253) 4.911 17.818 ( 2.637 5.323 4.067) 7.199 17.887 ( 5.585 7.597 -8.430) 12.648 18.143 ( -0.525 -3.811 -1.976) 4.324 18.230 ( 4.676 -4.432 8.940) 11.020 19.018 ( -3.129 0.205 -2.888) 4.263 19.163 ( 3.288 -5.346 1.134) 6.378 19.607 ( -3.970 4.398 -2.093) 6.283 19.817 ( 0.847 -1.639 -0.362) 1.880 20.099 ( 0.146 -2.881 -1.856) 3.430 20.159 ( 0.859 -3.620 1.428) 3.985 20.287 ( -2.644 1.775 -0.269) 3.196 20.393 ( -1.934 -1.584 -3.250) 4.100 ======================= Grid point 74 (38/96) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -11.576 11.562 -1.242) 16.408 0.601 ( -8.887 10.392 10.146) 17.027 0.869 ( -9.660 0.792 5.999) 11.399 1.016 ( -5.936 1.586 7.881) 9.993 1.126 ( -4.299 6.186 2.467) 7.927 1.221 ( -10.320 17.115 9.766) 22.244 1.421 ( -2.559 -6.112 0.390) 6.637 1.652 ( 1.438 3.824 -0.975) 4.200 1.701 ( -3.711 0.838 -2.577) 4.595 1.758 ( 2.206 -1.319 0.750) 2.678 1.846 ( 7.759 -1.360 -5.751) 9.753 1.875 ( 1.090 3.802 -1.858) 4.370 1.986 ( 1.881 0.032 1.703) 2.537 2.074 ( 4.388 -3.191 -5.390) 7.648 2.177 ( -3.956 -2.223 -1.081) 4.665 2.275 ( 0.820 -2.506 -0.828) 2.764 2.351 ( 1.990 0.166 -2.195) 2.967 2.460 ( -0.845 -1.574 -2.451) 3.033 2.473 ( 4.625 4.356 -0.546) 6.376 2.518 ( 0.403 2.219 -3.395) 4.076 2.586 ( -0.230 -2.239 -0.877) 2.415 2.625 ( 1.133 -1.445 -1.085) 2.133 2.787 ( 0.170 -1.571 3.547) 3.883 2.823 ( -2.484 -1.366 2.537) 3.805 2.858 ( 1.287 0.848 4.089) 4.370 2.962 ( 1.500 0.441 2.618) 3.049 3.023 ( -0.047 0.029 3.375) 3.375 3.188 ( -0.874 1.538 -2.673) 3.205 3.226 ( -1.965 -2.739 -0.069) 3.372 3.268 ( 0.956 -1.789 -1.132) 2.323 3.364 ( 3.512 5.202 1.671) 6.495 3.431 ( -2.403 -1.575 -5.768) 6.444 3.599 ( 2.609 2.925 0.296) 3.930 3.720 ( 2.185 1.511 -1.040) 2.853 3.800 ( -3.791 1.989 1.264) 4.464 3.886 ( -1.189 -1.721 7.468) 7.755 4.019 ( -2.559 -7.433 1.876) 8.083 4.204 ( -0.104 -4.467 2.896) 5.325 4.509 ( 2.243 2.763 1.675) 3.933 4.590 ( 0.945 -4.229 0.501) 4.363 4.707 ( 2.361 -3.794 -0.250) 4.476 4.908 ( -5.462 -2.057 -2.020) 6.176 4.940 ( -1.205 -4.829 -0.799) 5.041 5.045 ( -3.552 -4.975 7.826) 9.931 5.150 ( 0.272 5.874 -4.695) 7.525 5.238 ( 0.789 3.983 -3.250) 5.201 5.436 ( -1.605 -6.775 0.208) 6.966 5.472 ( 1.015 -2.210 -4.208) 4.860 5.700 ( -0.411 1.883 0.682) 2.044 5.829 ( 0.170 1.101 1.401) 1.790 6.124 ( -2.411 3.274 2.126) 4.588 6.173 ( -0.160 4.819 3.261) 5.821 6.274 ( -1.185 -1.908 -0.512) 2.303 6.415 ( -1.773 -1.654 -0.569) 2.491 6.489 ( 0.203 6.908 -2.068) 7.214 6.779 ( 0.205 -5.742 0.607) 5.778 7.018 ( 2.989 7.060 -0.509) 7.684 7.109 ( 2.055 3.357 0.126) 3.938 7.257 ( 5.392 3.292 0.335) 6.327 7.413 ( -0.119 -1.168 1.680) 2.050 7.518 ( 2.190 -0.146 -1.020) 2.420 7.627 ( -7.454 2.246 1.784) 7.987 7.672 ( 0.326 -0.954 1.019) 1.434 7.797 ( -5.155 0.939 4.830) 7.126 7.933 ( 0.622 -6.567 -3.461) 7.449 8.011 ( -1.319 -3.207 -0.154) 3.471 8.157 ( -0.140 1.109 1.881) 2.188 8.401 ( 2.398 -5.730 1.685) 6.436 8.620 ( -0.219 3.036 0.858) 3.162 8.695 ( -0.311 3.529 3.491) 4.974 8.847 ( 2.432 10.967 3.704) 11.828 9.038 ( -1.385 -2.210 3.591) 4.438 9.242 ( 2.941 -2.819 -0.662) 4.127 9.407 ( 2.365 -9.856 2.814) 10.519 9.480 ( -2.222 2.189 2.545) 4.026 9.692 ( -2.630 -5.359 -2.808) 6.596 9.967 ( -2.226 -2.797 2.642) 4.445 10.026 ( 4.663 0.378 -6.271) 7.824 10.081 ( -4.170 -9.563 7.103) 12.622 10.141 ( -0.054 -6.247 2.518) 6.736 10.737 ( 3.033 2.142 -11.381) 11.971 10.870 ( -0.689 -2.321 -11.487) 11.740 11.302 ( -2.070 0.538 11.932) 12.122 11.377 ( -2.248 -2.422 9.919) 10.456 12.004 ( 0.761 11.591 -0.736) 11.640 12.575 ( 0.852 -8.642 -1.103) 8.753 12.642 ( 23.039 26.754 -12.797) 37.555 13.129 ( 4.965 -1.983 -2.463) 5.887 13.541 ( 3.016 1.306 -1.507) 3.615 13.566 ( 1.289 1.264 -4.064) 4.447 13.770 ( -4.039 1.156 3.582) 5.521 13.844 ( -1.438 -1.153 2.334) 2.974 14.588 ( 0.153 2.065 -0.422) 2.113 14.712 ( 0.622 0.688 -4.283) 4.382 14.761 ( 3.622 -0.510 -4.748) 5.993 14.810 ( 0.488 -4.651 -0.394) 4.693 15.313 ( 0.075 1.938 -1.404) 2.394 15.372 ( -2.863 -0.927 -5.547) 6.311 15.867 ( -2.239 1.571 2.827) 3.934 15.987 ( -0.649 -1.267 -0.071) 1.426 16.129 ( -3.053 -3.181 8.331) 9.426 16.241 ( -3.986 -3.529 4.580) 7.022 16.455 ( 4.229 3.348 -4.407) 6.965 16.778 ( 2.894 -11.260 -1.119) 11.680 17.144 ( 1.060 1.649 0.320) 1.987 17.220 ( 0.376 -1.158 -0.371) 1.273 17.703 ( 7.049 2.449 1.584) 7.628 17.752 ( 2.815 -0.027 -1.486) 3.183 17.922 ( 6.748 3.358 -6.346) 9.853 18.115 ( 2.586 -2.292 1.473) 3.757 18.188 ( 23.895 12.209 24.052) 36.035 18.330 ( -1.707 0.849 3.388) 3.888 18.989 ( 1.149 2.569 4.110) 4.981 19.228 ( 1.183 -7.156 1.951) 7.511 19.516 ( -3.826 3.161 -1.979) 5.342 19.708 ( -12.090 -6.508 -7.658) 15.721 20.065 ( -0.229 1.346 -1.363) 1.929 20.160 ( -1.284 -1.507 0.542) 2.052 20.276 ( -1.283 1.291 2.841) 3.374 20.325 ( -2.143 0.210 -1.130) 2.432 ======================= Grid point 75 (39/96) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -3.185 -3.092 6.982) 8.273 0.635 ( -3.185 3.092 6.982) 8.273 0.865 ( -5.420 -9.941 3.398) 11.821 0.865 ( -5.420 9.941 3.398) 11.821 1.224 ( -2.341 -6.216 3.422) 7.472 1.224 ( -2.341 6.216 3.422) 7.472 1.602 ( -2.527 -4.966 -4.614) 7.235 1.602 ( -2.527 4.966 -4.614) 7.235 1.715 ( -0.188 -3.553 -3.466) 4.968 1.715 ( -0.188 3.553 -3.466) 4.968 1.863 ( 0.727 -1.171 -3.004) 3.305 1.863 ( 0.727 1.171 -3.004) 3.305 2.080 ( 6.038 -2.950 -4.976) 8.361 2.080 ( 6.038 2.950 -4.976) 8.361 2.193 ( 2.925 -9.546 2.939) 10.408 2.193 ( 2.925 9.546 2.939) 10.408 2.343 ( -3.004 -1.449 -4.428) 5.543 2.343 ( -3.004 1.449 -4.428) 5.543 2.481 ( -0.561 -1.803 6.256) 6.535 2.481 ( -0.561 1.803 6.256) 6.535 2.653 ( 2.010 -3.562 0.864) 4.180 2.653 ( 2.010 3.562 0.864) 4.180 2.734 ( -1.242 -2.955 -0.809) 3.306 2.734 ( -1.242 2.955 -0.809) 3.306 2.999 ( -1.452 -4.477 1.303) 4.884 2.999 ( -1.452 4.477 1.303) 4.884 3.098 ( -1.100 -4.344 5.175) 6.846 3.098 ( -1.100 4.344 5.175) 6.846 3.180 ( -0.104 -1.291 -2.090) 2.459 3.180 ( -0.104 1.291 -2.090) 2.459 3.448 ( 1.582 -2.971 -2.175) 4.008 3.448 ( 1.582 2.971 -2.175) 4.008 3.723 ( -3.991 -2.545 1.116) 4.863 3.723 ( -3.991 2.545 1.116) 4.863 3.882 ( 0.557 -5.011 1.201) 5.183 3.882 ( 0.557 5.011 1.201) 5.183 3.992 ( -0.368 -11.442 5.627) 12.756 3.992 ( -0.368 11.442 5.627) 12.756 4.562 ( 0.096 -1.375 1.532) 2.061 4.562 ( 0.096 1.375 1.532) 2.061 4.784 ( 0.857 -5.600 1.461) 5.850 4.784 ( 0.857 5.600 1.461) 5.850 4.893 ( -2.581 -5.967 2.524) 6.974 4.893 ( -2.581 5.967 2.524) 6.974 5.244 ( 1.203 -1.147 -6.619) 6.825 5.244 ( 1.203 1.147 -6.619) 6.825 5.367 ( 2.073 -4.145 -2.938) 5.487 5.367 ( 2.073 4.145 -2.938) 5.487 5.761 ( -1.871 -2.740 -0.500) 3.355 5.761 ( -1.871 2.740 -0.500) 3.355 6.194 ( 0.077 -3.674 -1.458) 3.953 6.194 ( 0.077 3.674 -1.458) 3.953 6.321 ( -1.814 -5.459 1.165) 5.869 6.321 ( -1.814 5.459 1.165) 5.869 6.640 ( 0.505 -7.909 -2.823) 8.413 6.640 ( 0.505 7.909 -2.823) 8.413 7.183 ( 0.682 -1.860 0.977) 2.209 7.183 ( 0.682 1.860 0.977) 2.209 7.384 ( -0.144 -3.222 2.247) 3.931 7.384 ( -0.144 3.222 2.247) 3.931 7.539 ( 0.061 -3.072 -3.486) 4.647 7.539 ( 0.061 3.072 -3.486) 4.647 7.680 ( -2.500 -2.630 2.382) 4.340 7.680 ( -2.500 2.630 2.382) 4.340 7.876 ( -1.635 -4.085 1.040) 4.522 7.876 ( -1.635 4.085 1.040) 4.522 8.287 ( -0.926 -6.458 1.798) 6.768 8.287 ( -0.926 6.458 1.798) 6.768 8.704 ( -1.917 -3.361 2.107) 4.405 8.704 ( -1.917 3.361 2.107) 4.405 9.002 ( -4.530 -1.885 6.388) 8.055 9.002 ( -4.530 1.885 6.388) 8.055 9.288 ( 5.668 -4.794 -5.711) 9.366 9.288 ( 5.668 4.794 -5.711) 9.366 9.533 ( -4.715 -2.499 4.077) 6.716 9.533 ( -4.715 2.499 4.077) 6.716 9.942 ( -4.304 -4.116 2.490) 6.455 9.942 ( -4.304 4.116 2.490) 6.455 10.095 ( 6.451 -3.462 -7.315) 10.349 10.095 ( 6.451 3.462 -7.315) 10.349 10.723 ( 2.956 -2.400 -11.298) 11.923 10.723 ( 2.956 2.400 -11.298) 11.923 11.404 ( -2.283 -1.668 12.132) 12.458 11.404 ( -2.283 1.668 12.132) 12.458 12.317 ( 1.091 -14.243 0.838) 14.309 12.317 ( 1.091 14.243 0.838) 14.309 13.010 ( 1.872 -7.412 -12.600) 14.738 13.010 ( 1.872 7.412 -12.600) 14.738 13.562 ( -0.607 -2.228 -2.717) 3.566 13.562 ( -0.607 2.228 -2.717) 3.566 13.790 ( -3.018 -2.618 3.269) 5.162 13.790 ( -3.018 2.618 3.269) 5.162 14.675 ( 0.670 -4.953 -0.101) 4.999 14.675 ( 0.670 4.953 -0.101) 4.999 14.735 ( 2.313 -1.260 -5.162) 5.795 14.735 ( 2.313 1.260 -5.162) 5.795 15.342 ( 1.834 -1.176 -1.643) 2.729 15.342 ( 1.834 1.176 -1.643) 2.729 15.913 ( -0.644 -4.083 -0.256) 4.141 15.913 ( -0.644 4.083 -0.256) 4.141 16.141 ( -4.360 -3.002 4.978) 7.267 16.141 ( -4.360 3.002 4.978) 7.267 16.593 ( 2.215 -7.383 -1.594) 7.871 16.593 ( 2.215 7.383 -1.594) 7.871 17.192 ( 0.355 -1.677 0.051) 1.715 17.192 ( 0.355 1.677 0.051) 1.715 17.776 ( 2.276 -0.584 -1.382) 2.726 17.776 ( 2.276 0.584 -1.382) 2.726 18.004 ( -2.875 -4.071 -5.811) 7.655 18.004 ( -2.875 4.071 -5.811) 7.655 18.312 ( -8.277 -5.006 -0.310) 9.678 18.312 ( -8.277 5.006 -0.310) 9.678 19.177 ( -1.057 -4.811 5.904) 7.689 19.177 ( -1.057 4.811 5.904) 7.689 19.559 ( 4.221 -2.071 0.846) 4.777 19.559 ( 4.221 2.071 0.846) 4.777 20.133 ( -0.168 -1.726 1.481) 2.280 20.133 ( -0.168 1.726 1.481) 2.280 20.296 ( -0.121 -2.511 1.775) 3.077 20.296 ( -0.121 2.511 1.775) 3.077 ======================= Grid point 77 (40/96) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -1.023 -2.789 8.822) 9.309 0.691 ( -1.023 2.789 8.822) 9.309 0.861 ( 2.806 -13.797 2.813) 14.358 0.861 ( 2.806 13.798 2.813) 14.358 1.247 ( 0.485 -5.377 4.602) 7.094 1.247 ( 0.485 5.377 4.602) 7.094 1.478 ( -5.242 -3.473 -5.247) 8.190 1.478 ( -5.242 3.473 -5.247) 8.190 1.682 ( 0.930 -1.450 -3.840) 4.208 1.682 ( 0.930 1.450 -3.840) 4.208 1.881 ( 2.495 -2.637 -1.502) 3.929 1.881 ( 2.495 2.637 -1.502) 3.929 2.109 ( 4.970 -3.745 -8.592) 10.608 2.109 ( 4.970 3.745 -8.592) 10.608 2.196 ( -0.346 -2.629 -6.190) 6.734 2.196 ( -0.346 2.629 -6.190) 6.734 2.323 ( 1.324 -4.428 2.213) 5.124 2.323 ( 1.324 4.428 2.213) 5.124 2.533 ( -2.805 -4.679 9.833) 11.245 2.533 ( -2.805 4.679 9.833) 11.245 2.658 ( -0.753 -3.153 -1.005) 3.394 2.658 ( -0.753 3.153 -1.005) 3.394 2.744 ( 0.496 -4.899 2.673) 5.602 2.744 ( 0.496 4.899 2.673) 5.602 2.987 ( -1.976 -3.175 2.769) 4.653 2.987 ( -1.976 3.175 2.769) 4.653 3.090 ( -4.030 -3.174 4.067) 6.546 3.090 ( -4.030 3.174 4.067) 6.546 3.188 ( 3.288 -1.539 -2.920) 4.659 3.188 ( 3.288 1.539 -2.920) 4.659 3.431 ( -0.221 -4.208 -4.542) 6.195 3.431 ( -0.221 4.208 -4.542) 6.195 3.662 ( -3.091 -0.728 1.868) 3.684 3.662 ( -3.091 0.728 1.868) 3.684 3.929 ( 1.964 -5.464 3.302) 6.680 3.929 ( 1.964 5.464 3.302) 6.680 4.038 ( -1.057 -12.927 6.007) 14.294 4.038 ( -1.057 12.927 6.007) 14.294 4.552 ( -1.428 -1.852 -0.211) 2.348 4.552 ( -1.428 1.852 -0.211) 2.348 4.814 ( 0.443 -8.363 1.297) 8.475 4.814 ( 0.443 8.363 1.297) 8.475 4.918 ( 1.804 -4.598 3.337) 5.961 4.918 ( 1.804 4.598 3.337) 5.961 5.206 ( 1.306 -0.310 -5.544) 5.704 5.206 ( 1.306 0.310 -5.544) 5.704 5.381 ( 3.949 -5.757 -4.661) 8.394 5.381 ( 3.949 5.757 -4.661) 8.394 5.709 ( -3.024 -1.316 -1.624) 3.677 5.709 ( -3.024 1.316 -1.624) 3.677 6.183 ( 0.559 -3.707 -1.914) 4.209 6.183 ( 0.559 3.707 -1.914) 4.209 6.300 ( -1.789 -5.437 0.941) 5.800 6.300 ( -1.789 5.437 0.941) 5.800 6.615 ( -0.817 -10.368 -1.654) 10.530 6.615 ( -0.817 10.368 -1.654) 10.530 7.155 ( -3.417 -4.365 -2.524) 6.091 7.155 ( -3.417 4.365 -2.524) 6.091 7.352 ( -5.198 -3.122 4.790) 7.728 7.352 ( -5.198 3.122 4.790) 7.728 7.578 ( 5.081 -2.385 -1.258) 5.752 7.578 ( 5.081 2.385 -1.258) 5.752 7.678 ( 0.063 -3.866 1.538) 4.161 7.678 ( 0.063 3.866 1.538) 4.161 7.869 ( 0.037 -4.021 0.374) 4.038 7.869 ( 0.037 4.021 0.374) 4.038 8.268 ( -2.777 -5.148 1.217) 5.975 8.268 ( -2.777 5.148 1.217) 5.975 8.677 ( -3.718 -3.346 2.279) 5.497 8.677 ( -3.718 3.346 2.279) 5.497 8.970 ( -5.750 -2.676 4.985) 8.066 8.970 ( -5.750 2.676 4.985) 8.066 9.311 ( 3.533 -4.852 -5.956) 8.456 9.311 ( 3.533 4.852 -5.956) 8.456 9.498 ( -4.076 -1.251 5.048) 6.607 9.498 ( -4.076 1.251 5.048) 6.607 9.883 ( -3.549 -5.055 -0.471) 6.194 9.883 ( -3.549 5.055 -0.471) 6.194 10.137 ( 5.729 -4.041 -5.635) 8.995 10.137 ( 5.729 4.041 -5.635) 8.995 10.704 ( 5.707 -2.414 -7.652) 9.846 10.704 ( 5.707 2.414 -7.652) 9.846 11.476 ( -2.079 -1.909 10.353) 10.731 11.476 ( -2.079 1.909 10.353) 10.731 12.352 ( 1.186 -14.462 2.052) 14.655 12.352 ( 1.186 14.462 2.052) 14.655 12.849 ( -5.010 -13.354 -12.756) 19.135 12.849 ( -5.010 13.354 -12.756) 19.135 13.514 ( -1.501 -2.718 -2.377) 3.910 13.514 ( -1.501 2.718 -2.377) 3.910 13.778 ( -2.373 -3.170 3.373) 5.201 13.778 ( -2.373 3.170 3.373) 5.201 14.672 ( -0.377 -3.690 -1.486) 3.995 14.672 ( -0.377 3.690 -1.486) 3.995 14.746 ( 3.871 -0.890 -3.039) 5.001 14.746 ( 3.871 0.890 -3.039) 5.001 15.364 ( 2.674 -1.968 -2.302) 4.040 15.364 ( 2.674 1.968 -2.302) 4.040 15.901 ( -0.500 -4.926 -0.162) 4.954 15.901 ( -0.500 4.926 -0.162) 4.954 16.116 ( -3.570 -3.336 4.306) 6.513 16.116 ( -3.570 3.336 4.306) 6.513 16.607 ( 0.806 -6.835 -0.737) 6.922 16.607 ( 0.806 6.835 -0.737) 6.922 17.197 ( 0.164 -1.376 -0.021) 1.386 17.197 ( 0.164 1.376 -0.021) 1.386 17.731 ( -16.642 -15.579 -6.757) 23.776 17.731 ( -16.642 15.579 -6.757) 23.776 17.799 ( -0.933 -1.688 0.193) 1.938 17.799 ( -0.933 1.688 0.193) 1.938 18.252 ( -1.188 -0.940 3.940) 4.221 18.252 ( -1.188 0.940 3.940) 4.221 19.198 ( -0.919 -3.109 4.523) 5.565 19.198 ( -0.919 3.109 4.523) 5.565 19.650 ( 4.496 -2.746 -1.600) 5.506 19.650 ( 4.496 2.746 -1.600) 5.506 20.129 ( -2.131 -2.973 1.890) 4.117 20.129 ( -2.131 2.973 1.890) 4.117 20.342 ( 3.209 -2.546 1.614) 4.403 20.342 ( 3.209 2.546 1.614) 4.403 ======================= Grid point 79 (41/96) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.152 -1.716 4.866) 5.162 0.742 ( 0.152 1.716 4.866) 5.162 0.995 ( 6.962 -10.944 3.983) 13.568 0.995 ( 6.962 10.944 3.983) 13.568 1.303 ( 0.703 -3.129 -0.137) 3.210 1.303 ( 0.703 3.129 -0.137) 3.210 1.372 ( -2.238 -1.620 0.893) 2.904 1.372 ( -2.238 1.620 0.893) 2.904 1.682 ( 2.484 -1.977 -1.303) 3.432 1.682 ( 2.484 1.977 -1.303) 3.432 1.893 ( 0.652 -1.865 -1.724) 2.623 1.893 ( 0.652 1.865 -1.724) 2.623 2.075 ( 2.360 -2.871 -8.375) 9.163 2.075 ( 2.360 2.871 -8.375) 9.163 2.169 ( 3.533 -1.950 -6.468) 7.624 2.169 ( 3.533 1.950 -6.468) 7.624 2.339 ( -1.300 -2.681 1.347) 3.270 2.339 ( -1.300 2.681 1.347) 3.270 2.559 ( -5.076 -3.244 7.561) 9.667 2.559 ( -5.076 3.244 7.561) 9.667 2.631 ( 0.106 -3.235 -2.869) 4.325 2.631 ( 0.106 3.235 -2.869) 4.325 2.774 ( -0.668 -3.178 4.804) 5.799 2.774 ( -0.668 3.178 4.804) 5.799 2.953 ( -6.218 -1.208 4.206) 7.604 2.953 ( -6.218 1.208 4.206) 7.604 3.089 ( -0.243 -1.783 0.537) 1.878 3.089 ( -0.243 1.783 0.537) 1.878 3.227 ( 3.588 -1.720 -0.369) 3.996 3.227 ( 3.588 1.720 -0.369) 3.996 3.386 ( 0.761 -1.902 -2.060) 2.905 3.386 ( 0.761 1.902 -2.060) 2.905 3.667 ( 0.984 -2.169 1.648) 2.897 3.667 ( 0.984 2.169 1.648) 2.897 3.985 ( 1.223 -8.483 1.268) 8.664 3.985 ( 1.223 8.483 1.268) 8.664 4.077 ( -1.333 -16.919 6.986) 18.353 4.077 ( -1.333 16.919 6.986) 18.353 4.531 ( -0.322 -1.123 -0.625) 1.325 4.531 ( -0.322 1.123 -0.625) 1.325 4.828 ( -0.213 -10.723 1.591) 10.842 4.828 ( -0.213 10.723 1.591) 10.842 4.983 ( 2.526 -1.569 1.761) 3.456 4.983 ( 2.526 1.569 1.761) 3.456 5.183 ( 0.400 -2.258 -2.303) 3.250 5.183 ( 0.400 2.258 -2.303) 3.250 5.408 ( 5.307 -6.499 -5.935) 10.277 5.408 ( 5.307 6.499 -5.935) 10.277 5.635 ( -3.536 -2.672 -2.122) 4.914 5.635 ( -3.536 2.672 -2.122) 4.914 6.178 ( 1.120 -3.766 -1.975) 4.397 6.178 ( 1.120 3.766 -1.975) 4.397 6.283 ( -1.296 -6.006 0.937) 6.216 6.283 ( -1.296 6.006 0.937) 6.216 6.583 ( -2.079 -12.629 0.043) 12.799 6.583 ( -2.079 12.629 0.043) 12.799 7.047 ( -4.924 -2.235 -3.606) 6.500 7.047 ( -4.924 2.235 -3.606) 6.500 7.327 ( -3.079 -1.567 3.643) 5.021 7.327 ( -3.079 1.567 3.643) 5.021 7.613 ( -3.527 -3.061 5.492) 7.209 7.613 ( -3.527 3.061 5.492) 7.209 7.729 ( 6.081 -6.367 -2.556) 9.168 7.729 ( 6.081 6.367 -2.556) 9.168 7.880 ( 0.901 -4.549 -0.078) 4.638 7.880 ( 0.901 4.549 -0.078) 4.638 8.232 ( -2.427 -3.484 1.087) 4.382 8.232 ( -2.427 3.484 1.087) 4.382 8.632 ( -4.177 -2.739 2.625) 5.643 8.632 ( -4.177 2.739 2.625) 5.643 8.913 ( -5.495 -6.962 3.274) 9.454 8.913 ( -5.495 6.962 3.274) 9.454 9.292 ( 0.201 -4.131 -4.069) 5.802 9.292 ( 0.201 4.131 -4.069) 5.802 9.503 ( -0.857 -2.303 4.232) 4.893 9.503 ( -0.857 2.303 4.232) 4.893 9.823 ( -2.148 -4.516 -1.785) 5.310 9.823 ( -2.148 4.516 -1.785) 5.310 10.173 ( 4.586 -4.073 -5.034) 7.935 10.173 ( 4.586 4.073 -5.034) 7.935 10.756 ( 6.405 -3.289 -3.576) 8.039 10.756 ( 6.405 3.289 -3.576) 8.039 11.532 ( -1.458 -2.006 7.548) 7.945 11.532 ( -1.458 2.006 7.548) 7.945 12.387 ( 0.387 -14.741 2.043) 14.887 12.387 ( 0.387 14.741 2.043) 14.887 12.652 ( -5.251 -19.817 -8.588) 22.227 12.652 ( -5.251 19.817 -8.588) 22.227 13.475 ( -0.555 -2.217 -2.208) 3.178 13.475 ( -0.555 2.217 -2.208) 3.178 13.771 ( -2.489 -3.187 3.718) 5.493 13.771 ( -2.489 3.187 3.718) 5.493 14.645 ( -0.267 -1.993 -2.555) 3.251 14.645 ( -0.267 1.993 -2.555) 3.251 14.793 ( 4.054 -0.869 -1.535) 4.421 14.793 ( 4.054 0.869 -1.535) 4.421 15.381 ( 2.564 -1.380 -3.095) 4.250 15.381 ( 2.564 1.381 -3.095) 4.250 15.894 ( -0.653 -5.034 0.661) 5.119 15.894 ( -0.653 5.034 0.661) 5.119 16.112 ( -1.403 -2.896 3.684) 4.891 16.112 ( -1.403 2.896 3.684) 4.891 16.609 ( -0.034 -6.159 0.140) 6.161 16.609 ( -0.034 6.159 0.140) 6.161 17.196 ( -0.058 -0.666 -0.374) 0.766 17.196 ( -0.058 0.666 -0.374) 0.766 17.395 ( -16.882 -22.005 -1.258) 27.763 17.395 ( -16.882 22.005 -1.258) 27.763 17.793 ( -0.362 -1.298 -0.699) 1.518 17.793 ( -0.362 1.298 -0.699) 1.518 18.286 ( -0.501 -1.480 4.471) 4.736 18.286 ( -0.501 1.480 4.471) 4.736 19.241 ( 0.402 -0.416 4.789) 4.824 19.241 ( 0.402 0.416 4.789) 4.824 19.659 ( 0.280 -1.682 -4.366) 4.687 19.659 ( 0.280 1.682 -4.366) 4.687 20.116 ( -0.816 -5.715 1.388) 5.938 20.116 ( -0.816 5.715 1.388) 5.938 20.411 ( 2.996 -2.091 1.215) 3.850 20.411 ( 2.996 2.091 1.215) 3.850 ======================= Grid point 81 (42/96) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 3.062 -2.696 2.358) 4.712 0.804 ( 3.062 2.696 2.358) 4.712 1.117 ( 4.665 -7.114 -0.059) 8.507 1.117 ( 4.665 7.114 -0.059) 8.507 1.257 ( -0.739 -4.964 -2.617) 5.660 1.257 ( -0.739 4.964 -2.617) 5.660 1.415 ( 0.459 -5.007 4.394) 6.678 1.415 ( 0.459 5.007 4.394) 6.678 1.754 ( 4.236 -4.946 4.229) 7.765 1.754 ( 4.236 4.946 4.229) 7.765 1.874 ( -0.019 -3.923 -2.969) 4.920 1.874 ( -0.019 3.923 -2.969) 4.920 2.051 ( 1.553 -3.966 -4.582) 6.256 2.051 ( 1.553 3.966 -4.582) 6.256 2.164 ( 3.136 -2.365 -5.934) 7.116 2.164 ( 3.136 2.365 -5.934) 7.116 2.327 ( -1.374 -2.688 1.522) 3.381 2.327 ( -1.374 2.688 1.522) 3.381 2.503 ( -5.507 -1.820 2.334) 6.252 2.503 ( -5.507 1.820 2.334) 6.252 2.628 ( 0.999 -7.709 -0.665) 7.802 2.628 ( 0.999 7.709 -0.665) 7.802 2.805 ( -1.564 -2.873 3.821) 5.030 2.805 ( -1.564 2.873 3.821) 5.030 2.889 ( -4.875 -3.137 2.791) 6.434 2.889 ( -4.875 3.137 2.791) 6.434 3.056 ( -2.743 -3.872 -0.191) 4.749 3.056 ( -2.743 3.872 -0.191) 4.749 3.268 ( 1.044 -2.628 -0.316) 2.845 3.268 ( 1.044 2.628 -0.316) 2.845 3.447 ( 5.734 -6.399 0.665) 8.618 3.447 ( 5.734 6.399 0.665) 8.618 3.708 ( 2.041 -2.737 0.864) 3.522 3.708 ( 2.041 2.737 0.864) 3.522 3.986 ( -1.018 -8.135 -0.837) 8.241 3.986 ( -1.018 8.135 -0.837) 8.241 4.123 ( -0.660 -15.285 5.094) 16.125 4.123 ( -0.660 15.285 5.094) 16.125 4.533 ( 0.662 -1.251 0.303) 1.447 4.533 ( 0.662 1.251 0.303) 1.447 4.838 ( -0.786 -13.357 2.060) 13.537 4.838 ( -0.786 13.357 2.060) 13.537 5.034 ( 2.822 -0.611 -0.126) 2.891 5.034 ( 2.822 0.611 -0.126) 2.891 5.173 ( -1.015 -3.663 1.166) 3.976 5.173 ( -1.015 3.663 1.166) 3.976 5.443 ( 5.344 -5.497 -5.405) 9.380 5.443 ( 5.344 5.497 -5.405) 9.380 5.560 ( -2.889 -3.641 -1.576) 4.908 5.560 ( -2.889 3.641 -1.576) 4.908 6.181 ( 1.280 -3.712 -1.607) 4.242 6.181 ( 1.280 3.712 -1.607) 4.242 6.276 ( -0.650 -6.549 1.034) 6.662 6.276 ( -0.650 6.549 1.034) 6.662 6.549 ( -2.527 -13.334 1.058) 13.613 6.549 ( -2.527 13.334 1.058) 13.613 6.945 ( -3.727 -1.967 -2.052) 4.687 6.945 ( -3.727 1.967 -2.052) 4.687 7.311 ( -1.665 -2.569 1.421) 3.376 7.311 ( -1.665 2.569 1.421) 3.376 7.590 ( -5.784 -1.674 6.670) 8.985 7.590 ( -5.784 1.674 6.670) 8.985 7.793 ( 3.866 -4.440 -2.444) 6.375 7.793 ( 3.866 4.440 -2.444) 6.375 7.894 ( 0.726 -4.333 0.237) 4.400 7.894 ( 0.726 4.333 0.237) 4.400 8.221 ( -0.007 -3.220 0.934) 3.353 8.221 ( -0.007 3.220 0.934) 3.353 8.596 ( -3.302 -1.733 3.145) 4.878 8.596 ( -3.302 1.733 3.145) 4.878 8.857 ( -4.071 -9.397 2.128) 10.460 8.857 ( -4.071 9.397 2.128) 10.460 9.248 ( -1.213 -3.749 -2.953) 4.924 9.248 ( -1.213 3.749 -2.953) 4.924 9.540 ( 0.116 -2.785 4.285) 5.111 9.540 ( 0.116 2.785 4.285) 5.111 9.782 ( -0.584 -2.946 -1.935) 3.573 9.782 ( -0.584 2.946 -1.935) 3.573 10.191 ( 3.470 -3.847 -5.294) 7.407 10.191 ( 3.470 3.847 -5.294) 7.407 10.831 ( 4.923 -4.368 -1.134) 6.679 10.831 ( 4.923 4.368 -1.134) 6.679 11.569 ( -0.957 -1.750 4.074) 4.536 11.569 ( -0.957 1.750 4.074) 4.536 12.390 ( -1.146 -15.717 -0.377) 15.763 12.390 ( -1.146 15.717 -0.377) 15.763 12.533 ( -2.102 -20.777 -3.231) 21.132 12.533 ( -2.102 20.777 -3.231) 21.132 13.453 ( 0.261 -2.613 -2.053) 3.333 13.453 ( 0.261 2.613 -2.053) 3.333 13.767 ( -2.491 -3.029 4.204) 5.749 13.767 ( -2.491 3.029 4.204) 5.749 14.620 ( 0.329 -1.635 -2.497) 3.002 14.620 ( 0.329 1.635 -2.497) 3.002 14.842 ( 3.308 -1.814 -1.441) 4.039 14.842 ( 3.308 1.814 -1.441) 4.039 15.392 ( 2.250 -0.589 -2.792) 3.634 15.392 ( 2.250 0.589 -2.792) 3.634 15.895 ( -0.400 -5.103 1.550) 5.349 15.895 ( -0.400 5.103 1.550) 5.349 16.134 ( 0.059 -1.337 2.820) 3.122 16.134 ( 0.059 1.337 2.820) 3.122 16.610 ( -0.160 -6.419 0.206) 6.425 16.610 ( -0.160 6.419 0.206) 6.425 17.151 ( -11.023 -20.831 1.021) 23.590 17.151 ( -11.023 20.831 1.021) 23.590 17.194 ( -1.500 -1.901 0.733) 2.530 17.194 ( -1.500 1.901 0.733) 2.530 17.775 ( -0.895 -1.502 -0.649) 1.866 17.775 ( -0.895 1.502 -0.649) 1.866 18.308 ( -1.434 -3.106 3.163) 4.659 18.308 ( -1.434 3.106 3.163) 4.659 19.287 ( -0.245 -2.722 3.608) 4.526 19.287 ( -0.245 2.722 3.608) 4.526 19.600 ( -1.285 -1.408 -4.307) 4.710 19.600 ( -1.285 1.408 -4.307) 4.710 20.128 ( 0.723 -5.766 0.696) 5.852 20.128 ( 0.723 5.766 0.696) 5.852 20.459 ( 1.771 -1.614 0.273) 2.412 20.459 ( 1.771 1.614 0.273) 2.412 ======================= Grid point 83 (43/96) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 3.138 -3.404 1.613) 4.903 0.879 ( 3.138 3.404 1.613) 4.903 1.150 ( 2.759 -2.655 -3.584) 5.244 1.150 ( 2.759 2.655 -3.584) 5.244 1.261 ( 1.314 -9.554 0.538) 9.659 1.261 ( 1.314 9.554 0.538) 9.659 1.456 ( 0.392 -4.976 3.906) 6.338 1.456 ( 0.392 4.976 3.906) 6.338 1.822 ( -2.821 -5.803 0.454) 6.469 1.822 ( -2.821 5.803 0.454) 6.469 1.876 ( 2.401 -4.525 2.006) 5.502 1.876 ( 2.401 4.525 2.006) 5.502 2.035 ( 2.138 -5.157 -2.828) 6.258 2.035 ( 2.138 5.157 -2.828) 6.258 2.170 ( 2.219 -2.072 -2.341) 3.834 2.170 ( 2.219 2.072 -2.341) 3.834 2.332 ( 0.274 -2.260 1.904) 2.968 2.332 ( 0.274 2.260 1.904) 2.968 2.461 ( -3.118 -3.361 4.334) 6.309 2.461 ( -3.118 3.361 4.334) 6.309 2.639 ( 2.581 -7.921 -3.581) 9.068 2.639 ( 2.581 7.921 -3.581) 9.068 2.775 ( -5.539 -3.687 3.545) 7.539 2.775 ( -5.539 3.687 3.545) 7.539 2.853 ( -1.141 -4.155 -0.905) 4.403 2.853 ( -1.141 4.155 -0.905) 4.403 3.017 ( -3.310 -4.918 2.451) 6.415 3.017 ( -3.310 4.918 2.451) 6.415 3.266 ( 0.689 -2.213 -2.831) 3.658 3.266 ( 0.689 2.213 -2.831) 3.658 3.528 ( 3.680 -4.748 -1.504) 6.192 3.528 ( 3.680 4.748 -1.504) 6.192 3.736 ( 0.067 -2.344 0.393) 2.378 3.736 ( 0.067 2.344 0.393) 2.378 3.949 ( -0.738 -8.235 -2.722) 8.705 3.949 ( -0.738 8.235 -2.722) 8.705 4.145 ( -0.855 -14.093 2.421) 14.325 4.145 ( -0.855 14.093 2.421) 14.325 4.551 ( -0.105 -4.823 1.768) 5.138 4.551 ( -0.105 4.823 1.768) 5.138 4.842 ( -0.796 -14.676 1.710) 14.797 4.842 ( -0.796 14.676 1.710) 14.797 5.079 ( 1.837 -1.635 1.534) 2.898 5.079 ( 1.837 1.635 1.534) 2.898 5.174 ( -0.454 -2.189 1.760) 2.845 5.174 ( -0.454 2.189 1.760) 2.845 5.476 ( 3.283 -4.903 -3.086) 6.659 5.476 ( 3.283 4.903 -3.086) 6.659 5.520 ( -0.412 -3.309 -0.693) 3.406 5.520 ( -0.412 3.309 -0.693) 3.406 6.186 ( 0.884 -3.527 -1.252) 3.846 6.186 ( 0.884 3.527 -1.252) 3.846 6.280 ( -0.022 -6.789 0.991) 6.861 6.280 ( -0.022 6.789 0.991) 6.861 6.523 ( -1.822 -12.366 1.313) 12.568 6.523 ( -1.822 12.366 1.313) 12.568 6.891 ( -1.591 -2.574 0.280) 3.039 6.891 ( -1.591 2.574 0.280) 3.039 7.303 ( -0.308 -2.403 0.462) 2.466 7.303 ( -0.308 2.403 0.462) 2.466 7.554 ( -5.863 -1.509 6.232) 8.689 7.554 ( -5.863 1.509 6.232) 8.689 7.812 ( 1.389 -3.589 -1.775) 4.238 7.812 ( 1.389 3.589 -1.775) 4.238 7.913 ( 0.842 -2.303 0.708) 2.553 7.913 ( 0.842 2.303 0.708) 2.553 8.237 ( 0.630 -1.924 0.528) 2.093 8.237 ( 0.630 1.924 0.528) 2.093 8.582 ( -2.119 -0.993 3.385) 4.115 8.582 ( -2.119 0.993 3.385) 4.115 8.822 ( -2.451 -10.584 2.090) 11.063 8.822 ( -2.451 10.584 2.090) 11.063 9.201 ( -1.062 -2.961 -2.725) 4.162 9.201 ( -1.062 2.961 -2.725) 4.162 9.587 ( -0.142 -2.179 5.858) 6.252 9.587 ( -0.142 2.179 5.858) 6.252 9.765 ( 0.672 -1.443 -2.083) 2.622 9.765 ( 0.672 1.443 -2.083) 2.622 10.187 ( 2.568 -3.507 -6.113) 7.501 10.187 ( 2.568 3.507 -6.113) 7.501 10.889 ( 2.657 -5.186 -0.335) 5.836 10.889 ( 2.657 5.186 -0.335) 5.836 11.572 ( -1.435 -1.374 0.437) 2.035 11.572 ( -1.435 1.374 0.437) 2.035 12.364 ( -0.306 -17.591 -1.000) 17.622 12.364 ( -0.306 17.591 -1.000) 17.622 12.493 ( -0.808 -20.136 -1.634) 20.219 12.493 ( -0.808 20.136 -1.634) 20.219 13.444 ( 0.868 -2.792 -1.700) 3.382 13.444 ( 0.868 2.792 -1.700) 3.382 13.769 ( -2.364 -3.024 4.594) 5.987 13.769 ( -2.364 3.024 4.594) 5.987 14.611 ( 1.075 -1.734 -1.909) 2.794 14.611 ( 1.075 1.734 -1.909) 2.794 14.872 ( 1.999 -2.316 -1.837) 3.568 14.872 ( 1.999 2.316 -1.837) 3.568 15.407 ( 2.048 -0.285 -1.541) 2.579 15.407 ( 2.048 0.285 -1.541) 2.579 15.910 ( -0.103 -6.059 2.410) 6.521 15.910 ( -0.103 6.059 2.410) 6.521 16.156 ( -0.300 -1.109 1.497) 1.887 16.156 ( -0.300 1.109 1.497) 1.887 16.599 ( -0.632 -7.973 -1.611) 8.159 16.599 ( -0.632 7.973 -1.611) 8.159 17.029 ( -6.628 -21.376 5.735) 23.103 17.029 ( -6.628 21.376 5.735) 23.103 17.190 ( -0.030 -0.537 0.568) 0.783 17.190 ( -0.030 0.537 0.568) 0.783 17.757 ( -0.566 -1.782 -0.230) 1.884 17.757 ( -0.566 1.782 -0.230) 1.884 18.296 ( -2.150 -4.468 0.622) 4.997 18.296 ( -2.150 4.468 0.622) 4.997 19.281 ( -1.951 -4.459 -1.297) 5.037 19.281 ( -1.951 4.459 -1.297) 5.037 19.572 ( 0.832 -0.675 0.159) 1.083 19.572 ( 0.832 0.675 0.159) 1.083 20.143 ( 0.495 -5.108 -0.163) 5.135 20.143 ( 0.495 5.108 -0.163) 5.135 20.475 ( 0.591 -1.676 -1.041) 2.060 20.475 ( 0.591 1.676 -1.041) 2.060 ======================= Grid point 85 (44/96) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.092 -3.528 1.936) 4.026 0.925 ( 0.092 3.528 1.936) 4.026 1.184 ( 4.739 -2.328 -1.802) 5.579 1.184 ( 4.739 2.328 -1.802) 5.579 1.263 ( -1.484 -10.644 -0.620) 10.765 1.263 ( -1.484 10.644 -0.620) 10.765 1.521 ( 1.071 -1.790 6.578) 6.901 1.521 ( 1.071 1.790 6.578) 6.901 1.754 ( -3.117 -5.529 -2.254) 6.736 1.754 ( -3.117 5.529 -2.254) 6.736 1.877 ( -2.310 -3.869 -0.360) 4.520 1.877 ( -2.310 3.869 -0.360) 4.520 2.081 ( 2.493 -7.994 0.626) 8.397 2.081 ( 2.493 7.994 0.626) 8.397 2.197 ( 2.942 -2.596 -0.189) 3.928 2.197 ( 2.942 2.596 -0.189) 3.928 2.371 ( 0.975 -1.151 3.630) 3.931 2.371 ( 0.975 1.151 3.630) 3.931 2.480 ( -1.398 -4.126 7.415) 8.600 2.480 ( -1.398 4.126 7.415) 8.600 2.614 ( -1.473 -3.064 -6.161) 7.037 2.614 ( -1.473 3.064 -6.161) 7.037 2.744 ( -0.209 -3.879 2.510) 4.625 2.744 ( -0.209 3.879 2.510) 4.625 2.825 ( 1.076 -3.482 -3.555) 5.091 2.825 ( 1.076 3.482 -3.555) 5.091 2.985 ( -4.080 -4.655 3.224) 6.979 2.985 ( -4.080 4.655 3.224) 6.979 3.240 ( 0.941 -3.113 -4.849) 5.839 3.240 ( 0.941 3.113 -4.849) 5.839 3.533 ( 0.096 -3.128 -3.753) 4.886 3.533 ( 0.096 3.128 -3.753) 4.886 3.704 ( -3.520 -2.108 -0.799) 4.179 3.704 ( -3.520 2.108 -0.799) 4.179 3.922 ( 1.361 -5.261 -4.130) 6.826 3.922 ( 1.361 5.261 -4.130) 6.826 4.149 ( -1.370 -14.038 2.403) 14.308 4.149 ( -1.370 14.038 2.403) 14.308 4.550 ( -2.273 -7.730 2.201) 8.352 4.550 ( -2.273 7.730 2.201) 8.352 4.844 ( -0.601 -13.346 0.900) 13.390 4.844 ( -0.601 13.346 0.900) 13.390 5.132 ( 1.370 -2.890 4.136) 5.228 5.132 ( 1.370 2.890 4.136) 5.228 5.182 ( -0.932 -4.787 1.714) 5.169 5.182 ( -0.932 4.787 1.714) 5.169 5.507 ( 3.208 -5.664 -0.811) 6.560 5.507 ( 3.208 5.664 -0.811) 6.560 5.519 ( 0.405 -2.454 -0.975) 2.672 5.519 ( 0.405 2.454 -0.975) 2.672 6.189 ( 0.706 -3.165 -0.837) 3.349 6.189 ( 0.706 3.165 -0.837) 3.349 6.294 ( 0.437 -6.499 1.172) 6.618 6.294 ( 0.437 6.499 1.172) 6.618 6.517 ( -0.259 -10.881 1.270) 10.958 6.517 ( -0.259 10.881 1.270) 10.958 6.896 ( 0.970 -2.990 1.606) 3.530 6.896 ( 0.970 2.990 1.606) 3.530 7.309 ( 0.299 -0.485 0.434) 0.716 7.309 ( 0.299 0.485 0.434) 0.716 7.517 ( -4.991 -1.318 5.361) 7.443 7.517 ( -4.991 1.318 5.361) 7.443 7.825 ( 2.123 -2.371 -1.079) 3.360 7.825 ( 2.123 2.371 -1.079) 3.360 7.928 ( -0.079 -1.885 1.013) 2.141 7.928 ( -0.079 1.885 1.013) 2.141 8.242 ( -0.829 -1.176 0.677) 1.590 8.242 ( -0.829 1.176 0.677) 1.590 8.587 ( -1.105 -2.345 3.115) 4.052 8.587 ( -1.105 2.345 3.115) 4.052 8.815 ( -1.360 -11.098 2.950) 11.564 8.815 ( -1.360 11.098 2.950) 11.564 9.167 ( 0.238 -1.590 -2.657) 3.106 9.167 ( 0.238 1.590 -2.657) 3.106 9.648 ( -0.593 -0.350 7.905) 7.935 9.648 ( -0.593 0.350 7.905) 7.935 9.759 ( 1.139 -0.595 -2.289) 2.625 9.759 ( 1.139 0.595 -2.289) 2.625 10.161 ( 2.135 -3.030 -7.289) 8.178 10.161 ( 2.135 3.030 -7.289) 8.178 10.914 ( 0.843 -5.448 -0.355) 5.525 10.914 ( 0.843 5.448 -0.355) 5.525 11.526 ( -2.860 -1.197 -2.466) 3.961 11.526 ( -2.860 1.197 -2.466) 3.961 12.369 ( 1.056 -17.726 0.113) 17.758 12.369 ( 1.056 17.726 0.113) 17.758 12.467 ( 0.593 -20.889 -2.640) 21.063 12.467 ( 0.593 20.889 -2.640) 21.063 13.450 ( 1.581 -2.701 -1.295) 3.387 13.450 ( 1.581 2.701 -1.295) 3.387 13.774 ( -2.437 -3.106 4.752) 6.178 13.774 ( -2.437 3.106 4.752) 6.178 14.618 ( 1.605 -1.789 -1.290) 2.728 14.618 ( 1.605 1.789 -1.290) 2.728 14.873 ( 0.564 -2.329 -2.270) 3.301 14.873 ( 0.564 2.329 -2.270) 3.301 15.431 ( 1.773 -0.685 -0.441) 1.951 15.431 ( 1.773 0.685 -0.441) 1.951 15.935 ( -0.362 -6.939 3.446) 7.756 15.935 ( -0.362 6.939 3.446) 7.756 16.146 ( -1.799 -2.021 0.140) 2.709 16.146 ( -1.799 2.021 0.140) 2.709 16.560 ( -0.768 -8.265 -3.286) 8.928 16.560 ( -0.768 8.265 -3.286) 8.928 17.041 ( -1.012 -18.458 8.971) 20.547 17.041 ( -1.012 18.458 8.971) 20.547 17.206 ( 0.879 -0.857 1.630) 2.040 17.206 ( 0.879 0.857 1.630) 2.040 17.755 ( 0.321 -2.349 0.374) 2.400 17.755 ( 0.321 2.349 0.374) 2.400 18.249 ( -2.231 -5.695 -2.511) 6.612 18.249 ( -2.231 5.695 -2.511) 6.612 19.217 ( -1.931 -4.372 -4.177) 6.347 19.217 ( -1.931 4.372 -4.177) 6.347 19.622 ( 2.581 -0.461 3.247) 4.173 19.622 ( 2.581 0.461 3.247) 4.173 20.137 ( -0.527 -4.892 -0.912) 5.004 20.137 ( -0.527 4.892 -0.912) 5.004 20.460 ( -0.328 -2.263 -2.233) 3.197 20.460 ( -0.328 2.263 -2.233) 3.197 ======================= Grid point 87 (45/96) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -3.353 -2.586 2.912) 5.139 0.920 ( -3.353 2.586 2.912) 5.139 1.177 ( -3.950 -10.902 -2.569) 11.877 1.177 ( -3.950 10.902 -2.569) 11.877 1.301 ( 5.960 -2.461 2.640) 6.967 1.301 ( 5.960 2.461 2.640) 6.967 1.552 ( -6.410 -3.792 5.222) 9.096 1.552 ( -6.410 3.792 5.222) 9.096 1.731 ( 1.888 -5.941 1.865) 6.507 1.731 ( 1.888 5.941 1.865) 6.507 1.826 ( -0.734 -2.831 -3.187) 4.326 1.826 ( -0.734 2.831 -3.187) 4.326 2.094 ( -0.991 -5.214 0.019) 5.307 2.094 ( -0.991 5.214 0.019) 5.307 2.264 ( 4.954 -2.096 -0.388) 5.393 2.264 ( 4.954 2.096 -0.388) 5.393 2.429 ( 0.631 -1.280 5.690) 5.866 2.429 ( 0.631 1.280 5.690) 5.866 2.487 ( -5.080 -5.980 -5.619) 9.651 2.487 ( -5.080 5.980 -5.619) 9.651 2.544 ( -0.615 -2.946 6.004) 6.716 2.544 ( -0.615 2.946 6.004) 6.716 2.771 ( 0.477 -4.372 1.687) 4.710 2.771 ( 0.477 4.372 1.687) 4.710 2.861 ( 7.435 -5.987 -4.381) 10.503 2.861 ( 7.435 5.987 -4.381) 10.503 2.933 ( -4.997 -5.084 1.768) 7.345 2.933 ( -4.997 5.084 1.768) 7.345 3.224 ( 2.724 -3.184 -3.570) 5.505 3.224 ( 2.724 3.184 -3.570) 5.505 3.477 ( -2.072 -1.387 -3.061) 3.948 3.477 ( -2.072 1.387 -3.061) 3.948 3.617 ( -4.422 -6.805 -3.021) 8.660 3.617 ( -4.422 6.805 -3.021) 8.660 3.910 ( 1.414 -1.816 -3.218) 3.957 3.910 ( 1.414 1.816 -3.218) 3.957 4.140 ( -2.991 -13.764 2.814) 14.364 4.140 ( -2.991 13.764 2.814) 14.364 4.527 ( -2.551 -7.032 1.965) 7.734 4.527 ( -2.551 7.032 1.965) 7.734 4.836 ( -1.065 -11.290 0.536) 11.353 4.836 ( -1.065 11.290 0.536) 11.353 5.145 ( -3.006 -6.875 0.767) 7.543 5.145 ( -3.006 6.875 0.767) 7.543 5.223 ( 1.428 -2.124 6.270) 6.772 5.223 ( 1.428 2.124 6.270) 6.772 5.498 ( -0.071 -2.114 -4.049) 4.568 5.498 ( -0.071 2.114 -4.049) 4.568 5.575 ( 3.961 -3.916 1.980) 5.911 5.575 ( 3.961 3.916 1.980) 5.911 6.195 ( 0.777 -2.893 -0.432) 3.026 6.195 ( 0.777 2.893 -0.432) 3.026 6.314 ( 0.326 -6.157 1.565) 6.361 6.314 ( 0.326 6.157 1.565) 6.361 6.541 ( 1.680 -9.548 1.212) 9.770 6.541 ( 1.680 9.548 1.212) 9.770 6.945 ( 3.111 -2.589 1.064) 4.185 6.945 ( 3.111 2.589 1.064) 4.185 7.307 ( -1.212 -3.866 0.143) 4.054 7.307 ( -1.212 3.866 0.143) 4.054 7.503 ( -2.070 -1.644 4.769) 5.452 7.503 ( -2.070 1.644 4.769) 5.452 7.864 ( 2.843 -0.799 0.128) 2.956 7.864 ( 2.843 0.799 0.128) 2.956 7.928 ( -0.790 -1.832 0.551) 2.069 7.928 ( -0.790 1.832 0.551) 2.069 8.224 ( -2.618 -1.200 1.901) 3.451 8.224 ( -2.618 1.200 1.901) 3.451 8.604 ( -0.095 -3.157 2.583) 4.080 8.604 ( -0.095 3.157 2.583) 4.080 8.833 ( -0.603 -10.728 4.407) 11.614 8.833 ( -0.603 10.728 4.407) 11.614 9.157 ( 1.664 -0.845 -2.861) 3.415 9.157 ( 1.664 0.845 -2.861) 3.415 9.687 ( -3.076 -5.161 4.625) 7.582 9.687 ( -3.076 5.161 4.625) 7.582 9.786 ( 2.900 -3.436 2.576) 5.182 9.786 ( 2.900 3.436 2.576) 5.182 10.122 ( 2.252 -2.489 -8.430) 9.074 10.122 ( 2.252 2.489 -8.430) 9.074 10.916 ( 0.245 -5.174 -0.746) 5.234 10.916 ( 0.245 5.174 -0.746) 5.234 11.436 ( -4.293 -1.150 -3.319) 5.547 11.436 ( -4.293 1.150 -3.319) 5.547 12.369 ( -0.738 -16.445 -1.468) 16.527 12.369 ( -0.738 16.445 -1.468) 16.527 12.501 ( 6.120 -22.275 -0.988) 23.122 12.501 ( 6.120 22.275 -0.988) 23.122 13.472 ( 2.298 -2.559 -0.931) 3.563 13.472 ( 2.298 2.559 -0.931) 3.563 13.779 ( -2.435 -2.994 4.822) 6.176 13.779 ( -2.435 2.994 4.822) 6.176 14.636 ( 1.787 -1.941 -1.134) 2.872 14.636 ( 1.787 1.941 -1.134) 2.872 14.849 ( -0.640 -1.863 -2.567) 3.236 14.849 ( -0.640 1.863 -2.567) 3.236 15.450 ( 0.864 -1.737 -0.561) 2.020 15.450 ( 0.864 1.737 -0.561) 2.020 15.959 ( -1.381 -6.535 4.172) 7.875 15.959 ( -1.381 6.535 4.172) 7.875 16.111 ( -1.989 -3.474 0.307) 4.015 16.111 ( -1.989 3.474 0.307) 4.015 16.526 ( 0.562 -7.621 -3.225) 8.294 16.526 ( 0.562 7.621 -3.225) 8.294 17.128 ( 1.049 -10.552 6.097) 12.232 17.128 ( 1.049 10.552 6.097) 12.232 17.270 ( 3.483 -8.128 6.204) 10.802 17.270 ( 3.483 8.128 6.204) 10.802 17.777 ( 1.361 -3.425 1.430) 3.954 17.777 ( 1.361 3.425 1.430) 3.954 18.179 ( -1.507 -6.553 -5.227) 8.516 18.179 ( -1.507 6.553 -5.227) 8.516 19.149 ( -1.380 -2.775 -4.108) 5.146 19.149 ( -1.380 2.775 -4.108) 5.146 19.702 ( 2.944 -0.891 3.173) 4.419 19.702 ( 2.944 0.891 3.173) 4.419 20.111 ( -1.286 -4.761 -1.062) 5.045 20.111 ( -1.286 4.761 -1.062) 5.045 20.426 ( -0.866 -2.636 -2.641) 3.831 20.426 ( -0.866 2.636 -2.641) 3.831 ======================= Grid point 89 (46/96) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.788 -1.763 4.395) 8.276 0.871 ( -6.788 1.763 4.395) 8.276 1.082 ( -4.707 -8.174 -0.569) 9.450 1.082 ( -4.707 8.174 -0.569) 9.450 1.417 ( -3.390 -4.810 3.181) 6.689 1.417 ( -3.390 4.810 3.181) 6.689 1.469 ( 0.683 -4.734 3.563) 5.964 1.469 ( 0.683 4.734 3.563) 5.964 1.751 ( -2.247 -2.564 1.174) 3.605 1.751 ( -2.247 2.564 1.174) 3.605 1.853 ( 5.688 -2.011 -1.242) 6.159 1.853 ( 5.688 2.011 -1.242) 6.159 2.062 ( -2.223 -2.065 -0.452) 3.068 2.062 ( -2.223 2.065 -0.452) 3.068 2.313 ( -1.450 -5.719 -3.554) 6.888 2.313 ( -1.450 5.719 -3.554) 6.888 2.367 ( 1.198 -6.300 -4.536) 7.855 2.367 ( 1.198 6.300 -4.536) 7.855 2.489 ( -0.298 -2.065 4.762) 5.199 2.489 ( -0.298 2.065 4.762) 5.199 2.574 ( -0.457 -4.437 3.051) 5.404 2.574 ( -0.457 4.437 3.051) 5.404 2.799 ( -1.637 -0.757 2.945) 3.453 2.799 ( -1.637 0.757 2.945) 3.453 2.876 ( -0.936 -1.419 0.372) 1.740 2.876 ( -0.936 1.419 0.372) 1.740 2.937 ( 5.437 -8.296 -3.279) 10.446 2.937 ( 5.437 8.296 -3.279) 10.446 3.276 ( 3.942 -0.740 1.034) 4.142 3.276 ( 3.942 0.740 1.034) 4.142 3.441 ( 1.622 -1.629 -2.097) 3.112 3.441 ( 1.622 1.629 -2.097) 3.112 3.512 ( -4.009 -8.525 -2.420) 9.726 3.512 ( -4.009 8.525 -2.420) 9.726 3.907 ( 0.618 -1.212 -1.351) 1.918 3.907 ( 0.618 1.212 -1.351) 1.918 4.099 ( -4.617 -12.487 2.235) 13.499 4.099 ( -4.617 12.487 2.235) 13.499 4.506 ( -1.794 -4.466 1.366) 5.002 4.506 ( -1.794 4.466 1.366) 5.002 4.822 ( -1.363 -9.168 0.680) 9.293 4.822 ( -1.363 9.168 0.680) 9.293 5.087 ( -4.921 -4.401 1.425) 6.754 5.087 ( -4.921 4.401 1.425) 6.754 5.301 ( 0.859 -1.015 5.252) 5.418 5.301 ( 0.859 1.015 5.252) 5.418 5.440 ( -0.807 -2.459 -6.016) 6.549 5.440 ( -0.807 2.459 -6.016) 6.549 5.665 ( 3.897 -2.229 2.403) 5.093 5.665 ( 3.897 2.229 2.403) 5.093 6.203 ( 0.570 -2.878 -0.435) 2.966 6.203 ( 0.570 2.878 -0.435) 2.966 6.333 ( -0.133 -6.127 1.909) 6.419 6.333 ( -0.133 6.127 1.909) 6.419 6.591 ( 2.878 -8.367 0.673) 8.874 6.591 ( 2.878 8.367 0.673) 8.874 7.011 ( 4.175 -2.069 -0.316) 4.670 7.011 ( 4.175 2.069 -0.316) 4.670 7.279 ( -1.482 -6.326 -0.187) 6.500 7.279 ( -1.482 6.326 -0.187) 6.500 7.535 ( 0.305 -2.438 4.021) 4.712 7.535 ( 0.305 2.438 4.021) 4.712 7.885 ( -2.990 -7.211 2.270) 8.130 7.885 ( -2.990 7.211 2.270) 8.130 7.935 ( 2.428 -4.450 -1.154) 5.199 7.935 ( 2.428 4.450 -1.154) 5.199 8.201 ( -2.719 -1.371 3.427) 4.584 8.201 ( -2.719 1.371 3.427) 4.584 8.633 ( 0.836 -2.745 1.970) 3.481 8.633 ( 0.836 2.745 1.970) 3.481 8.881 ( 0.044 -8.977 6.430) 11.042 8.881 ( 0.044 8.977 6.430) 11.042 9.165 ( 2.852 -1.460 -3.448) 4.707 9.165 ( 2.852 1.460 -3.448) 4.707 9.655 ( -3.676 -6.005 1.778) 7.262 9.655 ( -3.676 6.005 1.778) 7.262 9.878 ( 2.142 -2.661 6.233) 7.108 9.878 ( 2.142 2.661 6.233) 7.108 10.080 ( 2.949 -2.157 -9.122) 9.827 10.080 ( 2.949 2.157 -9.122) 9.827 10.910 ( 0.856 -4.717 -2.625) 5.466 10.910 ( 0.856 4.717 -2.625) 5.466 11.336 ( -4.887 -1.254 -0.370) 5.059 11.336 ( -4.887 1.254 -0.370) 5.059 12.335 ( -0.696 -15.768 -2.281) 15.947 12.335 ( -0.696 15.768 -2.281) 15.947 12.639 ( 10.769 -21.097 -0.337) 23.689 12.639 ( 10.769 21.097 -0.337) 23.689 13.506 ( 2.601 -2.446 -0.684) 3.635 13.506 ( 2.601 2.446 -0.684) 3.635 13.788 ( -2.057 -2.542 4.957) 5.939 13.788 ( -2.057 2.542 4.957) 5.939 14.654 ( 1.739 -2.636 -1.442) 3.472 14.654 ( 1.739 2.636 -1.442) 3.472 14.807 ( -1.094 -0.781 -2.792) 3.099 14.807 ( -1.094 0.781 -2.792) 3.099 15.441 ( -0.681 -2.875 -1.901) 3.513 15.441 ( -0.681 2.875 -1.901) 3.513 15.961 ( -2.428 -4.367 3.051) 5.854 15.961 ( -2.428 4.367 3.051) 5.854 16.105 ( -0.730 -5.642 3.396) 6.625 16.105 ( -0.730 5.642 3.396) 6.625 16.518 ( 1.966 -6.969 -2.900) 7.801 16.518 ( 1.966 6.969 -2.900) 7.801 17.169 ( 0.381 -3.698 1.073) 3.869 17.169 ( 0.381 3.698 1.073) 3.869 17.451 ( 7.922 -13.956 9.765) 18.785 17.451 ( 7.922 13.956 9.765) 18.785 17.835 ( 2.585 -5.889 4.645) 7.933 17.835 ( 2.585 5.889 4.645) 7.933 18.110 ( 0.150 -6.502 -6.197) 8.983 18.110 ( 0.150 6.502 -6.197) 8.983 19.092 ( -1.105 -0.482 -3.247) 3.464 19.092 ( -1.105 0.482 -3.247) 3.464 19.759 ( 0.815 -2.830 0.774) 3.045 19.759 ( 0.815 2.830 0.774) 3.045 20.085 ( -0.701 -3.153 -0.103) 3.231 20.085 ( -0.701 3.153 -0.103) 3.231 20.385 ( -1.340 -2.770 -1.909) 3.622 20.385 ( -1.340 2.770 -1.909) 3.622 ======================= Grid point 91 (47/96) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -9.597 -2.125 5.701) 11.363 0.779 ( -9.597 2.125 5.701) 11.363 1.013 ( -4.905 -3.732 1.908) 6.452 1.013 ( -4.905 3.732 1.908) 6.452 1.317 ( -6.786 -8.213 2.598) 10.966 1.317 ( -6.786 8.213 2.598) 10.966 1.590 ( 4.236 -2.232 2.935) 5.616 1.590 ( 4.236 2.232 2.935) 5.616 1.726 ( 0.282 -1.124 -1.505) 1.900 1.726 ( 0.282 1.124 -1.505) 1.900 1.919 ( 2.265 -1.663 0.951) 2.967 1.919 ( 2.265 1.663 0.951) 2.967 2.016 ( -1.987 -5.136 -2.170) 5.919 2.016 ( -1.987 5.136 -2.170) 5.919 2.222 ( -0.457 -4.777 -6.965) 8.458 2.222 ( -0.457 4.777 -6.965) 8.458 2.363 ( -1.905 -4.947 1.628) 5.546 2.363 ( -1.905 4.947 1.628) 5.546 2.515 ( -0.036 -3.464 2.002) 4.001 2.515 ( -0.036 3.464 2.002) 4.001 2.596 ( 2.068 -2.548 -2.790) 4.307 2.596 ( 2.068 2.548 -2.790) 4.307 2.769 ( -2.910 -2.851 2.619) 4.843 2.769 ( -2.910 2.851 2.619) 4.843 2.914 ( 2.971 -3.182 1.138) 4.500 2.914 ( 2.971 3.182 1.138) 4.500 2.997 ( 2.768 -10.739 1.831) 11.240 2.997 ( 2.768 10.739 1.831) 11.240 3.303 ( -3.339 -0.154 1.524) 3.673 3.303 ( -3.339 0.154 1.524) 3.673 3.410 ( 1.422 -6.524 -5.147) 8.430 3.410 ( 1.422 6.524 -5.147) 8.430 3.573 ( 7.302 -4.140 4.452) 9.502 3.573 ( 7.302 4.140 4.452) 9.502 3.898 ( -0.907 -1.952 -0.333) 2.178 3.898 ( -0.907 1.952 -0.333) 2.178 4.036 ( -5.052 -11.097 1.850) 12.332 4.036 ( -5.052 11.097 1.850) 12.332 4.499 ( -0.390 -2.327 1.316) 2.702 4.499 ( -0.390 2.327 1.316) 2.702 4.803 ( -1.491 -7.811 0.317) 7.958 4.803 ( -1.491 7.811 0.317) 7.958 5.013 ( -6.025 -0.891 2.494) 6.581 5.013 ( -6.025 0.891 2.494) 6.581 5.340 ( -0.541 -4.545 0.559) 4.611 5.340 ( -0.541 4.545 0.559) 4.611 5.372 ( 0.156 -6.387 -4.929) 8.069 5.372 ( 0.156 6.387 -4.929) 8.069 5.740 ( 2.347 -3.163 2.034) 4.433 5.740 ( 2.347 3.163 2.034) 4.433 6.206 ( 0.480 -3.052 -0.695) 3.167 6.206 ( 0.480 3.052 -0.695) 3.167 6.343 ( -0.983 -6.074 1.925) 6.447 6.343 ( -0.983 6.074 1.925) 6.447 6.636 ( 2.478 -7.282 -1.054) 7.764 6.636 ( 2.478 7.282 -1.054) 7.764 7.076 ( 3.998 -3.502 -0.420) 5.332 7.076 ( 3.998 3.502 -0.420) 5.332 7.275 ( 1.523 -7.352 -0.073) 7.508 7.275 ( 1.523 7.352 -0.073) 7.508 7.576 ( 0.355 -4.049 2.744) 4.904 7.576 ( 0.355 4.049 2.744) 4.904 7.828 ( -5.286 -7.038 0.740) 8.833 7.828 ( -5.286 7.038 0.740) 8.833 7.940 ( -1.806 -6.494 0.598) 6.767 7.940 ( -1.806 6.494 0.598) 6.767 8.216 ( 0.432 -5.056 3.653) 6.253 8.216 ( 0.432 5.056 3.653) 6.253 8.668 ( 1.141 -2.473 1.795) 3.262 8.668 ( 1.141 2.473 1.795) 3.262 8.949 ( -0.551 -5.661 7.801) 9.655 8.949 ( -0.551 5.661 7.801) 9.655 9.189 ( 4.538 -2.719 -4.116) 6.703 9.189 ( 4.538 2.719 -4.116) 6.703 9.610 ( -3.590 -6.165 1.742) 7.344 9.610 ( -3.590 6.165 1.742) 7.344 9.955 ( -0.754 -2.302 6.491) 6.928 9.955 ( -0.754 2.302 6.491) 6.928 10.054 ( 4.934 -2.205 -9.527) 10.953 10.054 ( 4.934 2.205 -9.527) 10.953 10.882 ( 1.241 -4.487 -7.716) 9.012 10.882 ( 1.241 4.487 -7.716) 9.012 11.289 ( -4.043 -1.921 6.846) 8.179 11.289 ( -4.043 1.921 6.846) 8.179 12.309 ( -0.073 -14.905 -1.705) 15.002 12.309 ( -0.073 14.905 -1.705) 15.002 12.837 ( 13.750 -16.031 -2.628) 21.283 12.837 ( 13.750 16.031 -2.628) 21.283 13.542 ( 2.492 -2.201 -0.755) 3.409 13.542 ( 2.492 2.201 -0.755) 3.409 13.803 ( -1.831 -2.097 4.813) 5.560 13.803 ( -1.831 2.097 4.813) 5.560 14.665 ( 1.350 -4.133 -1.690) 4.665 14.665 ( 1.350 4.133 -1.690) 4.665 14.767 ( -0.029 -0.909 -3.118) 3.248 14.767 ( -0.029 0.909 -3.118) 3.248 15.395 ( -1.586 -2.907 -3.018) 4.480 15.395 ( -1.586 2.907 -3.018) 4.480 15.945 ( -2.032 -3.356 1.658) 4.259 15.945 ( -2.032 3.356 1.658) 4.259 16.136 ( -1.366 -5.310 5.727) 7.928 16.136 ( -1.366 5.310 5.727) 7.928 16.534 ( 3.069 -6.830 -2.643) 7.940 16.534 ( 3.069 6.830 -2.643) 7.940 17.178 ( 0.426 -2.457 -0.089) 2.495 17.178 ( 0.426 2.457 -0.089) 2.495 17.655 ( 7.363 -5.855 2.356) 9.698 17.655 ( 7.363 5.855 2.356) 9.698 17.969 ( 5.352 -7.636 5.197) 10.675 17.969 ( 5.352 7.636 5.197) 10.675 18.105 ( 5.132 -6.515 2.646) 8.705 18.105 ( 5.132 6.515 2.646) 8.705 19.055 ( -0.380 -3.625 -1.204) 3.838 19.055 ( -0.380 3.625 -1.204) 3.838 19.725 ( -3.992 -5.837 -2.512) 7.504 19.725 ( -3.992 5.837 -2.512) 7.504 20.092 ( 0.815 -2.035 0.921) 2.377 20.092 ( 0.815 2.035 0.921) 2.377 20.344 ( -2.263 -2.704 -0.331) 3.542 20.344 ( -2.263 2.704 -0.331) 3.542 ======================= Grid point 93 (48/96) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -8.571 -2.927 5.930) 10.825 0.678 ( -8.571 2.927 5.930) 10.825 0.940 ( -6.683 -5.280 3.180) 9.091 0.940 ( -6.683 5.280 3.180) 9.091 1.253 ( -4.558 -7.316 3.115) 9.165 1.253 ( -4.558 7.316 3.115) 9.165 1.633 ( 1.871 -7.383 -2.530) 8.025 1.633 ( 1.871 7.383 -2.530) 8.025 1.734 ( 0.875 -1.165 -1.316) 1.963 1.734 ( 0.875 1.165 -1.316) 1.963 1.930 ( -3.981 -5.777 -1.354) 7.146 1.930 ( -3.981 5.777 -1.354) 7.146 1.998 ( 5.682 -2.919 -1.360) 6.531 1.998 ( 5.682 2.919 -1.360) 6.531 2.165 ( 0.235 -5.815 -3.561) 6.823 2.165 ( 0.235 5.815 -3.561) 6.823 2.375 ( 0.039 -3.286 3.445) 4.761 2.375 ( 0.039 3.286 3.445) 4.761 2.490 ( -3.280 -1.410 -1.091) 3.733 2.490 ( -3.280 1.410 -1.091) 3.733 2.610 ( 3.769 -4.393 -2.995) 6.518 2.610 ( 3.769 4.393 -2.995) 6.518 2.759 ( -1.222 -2.455 0.945) 2.901 2.759 ( -1.222 2.455 0.945) 2.901 2.979 ( 1.791 -1.692 2.865) 3.778 2.979 ( 1.791 1.692 2.865) 3.778 3.053 ( 0.701 -7.530 3.704) 8.421 3.053 ( 0.701 7.530 3.704) 8.421 3.229 ( -3.474 -1.467 -1.718) 4.144 3.229 ( -3.474 1.467 -1.718) 4.144 3.427 ( 2.361 -2.647 -0.637) 3.603 3.427 ( 2.361 2.647 -0.637) 3.603 3.715 ( 3.445 -3.498 2.976) 5.741 3.715 ( 3.445 3.498 2.976) 5.741 3.879 ( -0.598 -3.126 0.199) 3.189 3.879 ( -0.598 3.126 0.199) 3.189 3.979 ( -3.788 -11.732 2.957) 12.678 3.979 ( -3.788 11.732 2.957) 12.678 4.525 ( 1.367 -0.518 2.132) 2.585 4.525 ( 1.367 0.518 2.132) 2.585 4.781 ( -1.171 -6.720 0.235) 6.826 4.781 ( -1.171 6.720 0.235) 6.826 4.940 ( -5.619 -3.121 2.881) 7.044 4.940 ( -5.619 3.121 2.881) 7.044 5.292 ( 0.481 -2.283 -6.586) 6.987 5.292 ( 0.481 2.283 -6.586) 6.987 5.365 ( 0.537 -3.385 -0.865) 3.534 5.365 ( 0.537 3.385 -0.865) 3.534 5.776 ( 0.076 -3.929 0.916) 4.035 5.776 ( 0.076 3.929 0.916) 4.035 6.204 ( 0.209 -3.424 -1.023) 3.579 6.204 ( 0.209 3.424 -1.023) 3.579 6.337 ( -1.628 -5.867 1.538) 6.280 6.337 ( -1.628 5.867 1.538) 6.280 6.651 ( 1.467 -6.759 -2.666) 7.412 6.651 ( 1.467 6.759 -2.666) 7.412 7.138 ( 3.000 -3.161 0.968) 4.464 7.138 ( 3.000 3.161 0.968) 4.464 7.325 ( 4.082 -5.878 0.099) 7.157 7.325 ( 4.082 5.878 0.099) 7.157 7.586 ( -1.406 -4.917 0.341) 5.125 7.586 ( -1.406 4.917 0.341) 5.125 7.734 ( -5.902 -6.502 0.773) 8.815 7.734 ( -5.902 6.502 0.773) 8.815 7.904 ( -3.000 -5.533 1.281) 6.424 7.904 ( -3.000 5.533 1.281) 6.424 8.264 ( 0.957 -6.488 2.721) 7.100 8.264 ( 0.957 6.488 2.721) 7.100 8.699 ( 0.133 -2.992 1.993) 3.598 8.699 ( 0.133 2.992 1.993) 3.598 8.997 ( -2.638 -2.919 7.374) 8.358 8.997 ( -2.638 2.919 7.374) 8.358 9.238 ( 6.003 -4.200 -4.627) 8.665 9.238 ( 6.003 4.200 -4.627) 8.665 9.570 ( -3.691 -5.150 2.592) 6.846 9.570 ( -3.691 5.150 2.592) 6.846 9.972 ( -3.457 -3.075 4.926) 6.759 9.972 ( -3.457 3.075 4.926) 6.759 10.064 ( 6.439 -2.457 -8.718) 11.113 10.064 ( 6.439 2.457 -8.718) 11.113 10.805 ( 1.130 -3.537 -11.619) 12.198 10.805 ( 1.130 3.537 -11.619) 12.198 11.327 ( -2.663 -1.839 11.811) 12.246 11.327 ( -2.663 1.839 11.811) 12.246 12.302 ( 0.562 -14.339 -0.564) 14.361 12.302 ( 0.562 14.339 -0.564) 14.361 13.002 ( 10.570 -9.775 -7.788) 16.369 13.002 ( 10.570 9.775 -7.788) 16.369 13.570 ( 1.923 -0.905 -1.625) 2.676 13.570 ( 1.923 0.905 -1.625) 2.676 13.808 ( -2.749 -2.043 3.813) 5.125 13.808 ( -2.749 2.043 3.813) 5.125 14.668 ( 0.807 -4.991 -1.124) 5.179 14.668 ( 0.807 4.991 -1.124) 5.179 14.748 ( 1.674 -1.404 -4.181) 4.718 14.748 ( 1.674 1.404 -4.181) 4.718 15.348 ( -0.409 -1.299 -2.481) 2.831 15.348 ( -0.409 1.299 -2.481) 2.831 15.928 ( -1.268 -3.427 0.520) 3.691 15.928 ( -1.268 3.427 0.520) 3.691 16.155 ( -3.236 -3.771 5.770) 7.615 16.155 ( -3.236 3.771 5.770) 7.615 16.565 ( 3.222 -7.269 -2.226) 8.257 16.565 ( 3.222 7.269 -2.226) 8.257 17.185 ( 0.524 -1.921 -0.091) 1.994 17.185 ( 0.524 1.921 -0.091) 1.994 17.742 ( 3.635 -1.043 -1.310) 4.003 17.742 ( 3.635 1.043 -1.310) 4.003 18.021 ( 3.694 -5.126 -4.534) 7.777 18.021 ( 3.694 5.126 -4.534) 7.777 18.329 ( 6.194 -1.918 7.578) 9.974 18.329 ( 6.194 1.918 7.578) 9.974 19.085 ( 2.634 -5.807 5.092) 8.160 19.085 ( 2.634 5.807 5.092) 8.160 19.598 ( -6.376 -4.215 -2.915) 8.181 19.598 ( -6.376 4.215 -2.915) 8.181 20.116 ( 0.865 -2.570 0.646) 2.788 20.116 ( 0.865 2.570 0.646) 2.788 20.307 ( -2.577 -1.391 1.389) 3.241 20.307 ( -2.577 1.391 1.389) 3.241 ======================= Grid point 105 (49/96) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.084 0.000 10.871) 10.871 0.898 ( 3.224 0.000 19.150) 19.420 0.974 ( -6.586 0.000 5.648) 8.676 1.200 ( -2.542 0.000 3.992) 4.733 1.210 ( -1.329 0.000 11.837) 11.911 1.280 ( -2.054 0.000 17.450) 17.571 1.385 ( -5.334 0.000 -3.915) 6.617 1.549 ( 2.513 0.000 -0.266) 2.527 1.560 ( 3.425 0.000 -5.542) 6.515 1.677 ( 5.020 0.000 -6.945) 8.569 1.800 ( 3.122 0.000 2.544) 4.028 1.861 ( -1.600 0.000 -6.006) 6.215 1.981 ( -6.013 0.000 -4.301) 7.393 2.073 ( 1.513 0.000 -0.635) 1.641 2.100 ( -5.939 0.000 -0.930) 6.012 2.109 ( -2.751 0.000 -5.347) 6.013 2.270 ( -5.043 0.000 -6.314) 8.081 2.314 ( 5.999 0.000 1.051) 6.090 2.493 ( -0.076 0.000 0.734) 0.738 2.521 ( 4.641 0.000 1.757) 4.963 2.619 ( -1.106 0.000 -1.614) 1.957 2.656 ( -2.082 0.000 2.484) 3.241 2.795 ( -3.110 0.000 1.862) 3.625 2.888 ( 6.121 0.000 -4.240) 7.446 2.925 ( 2.302 0.000 0.552) 2.367 3.011 ( 1.724 0.000 -3.905) 4.269 3.049 ( -2.002 0.000 0.152) 2.008 3.069 ( 0.970 0.000 -3.330) 3.468 3.208 ( -1.040 0.000 0.793) 1.308 3.221 ( 1.576 0.000 -1.248) 2.010 3.285 ( -3.506 0.000 -0.342) 3.523 3.360 ( -0.502 0.000 -2.749) 2.795 3.659 ( 2.711 0.000 2.225) 3.507 3.665 ( 4.231 0.000 2.943) 5.154 3.927 ( -2.079 0.000 10.714) 10.914 4.084 ( -2.403 0.000 3.529) 4.270 4.235 ( -7.898 0.000 5.905) 9.861 4.398 ( 3.198 0.000 4.337) 5.389 4.542 ( -1.161 0.000 3.109) 3.319 4.571 ( -0.783 0.000 -4.912) 4.974 4.703 ( 5.043 0.000 -7.686) 9.193 4.771 ( 2.946 0.000 -1.096) 3.143 4.947 ( 9.817 0.000 -9.349) 13.556 5.006 ( -3.256 0.000 -5.372) 6.281 5.063 ( -2.648 0.000 2.222) 3.457 5.208 ( -0.504 0.000 -4.718) 4.745 5.334 ( -0.063 0.000 2.145) 2.146 5.517 ( -1.849 0.000 -4.605) 4.963 5.689 ( -2.644 0.000 2.414) 3.580 5.808 ( -3.958 0.000 8.174) 9.082 5.933 ( 1.147 0.000 -7.729) 7.814 6.152 ( -2.867 0.000 -4.851) 5.635 6.224 ( 0.034 0.000 -3.329) 3.329 6.250 ( 0.610 0.000 -1.954) 2.047 6.631 ( -0.329 0.000 5.177) 5.188 6.902 ( 2.805 0.000 -2.934) 4.060 6.987 ( -0.006 0.000 4.249) 4.249 7.105 ( 0.051 0.000 1.002) 1.003 7.269 ( 5.301 0.000 0.166) 5.303 7.372 ( -4.917 0.000 -0.940) 5.006 7.594 ( -6.021 0.000 5.561) 8.196 7.655 ( -1.532 0.000 2.009) 2.526 7.690 ( -0.277 0.000 2.409) 2.425 7.723 ( -4.581 0.000 0.996) 4.688 8.024 ( 4.039 0.000 -0.563) 4.078 8.047 ( -3.506 0.000 0.872) 3.613 8.246 ( -1.123 0.000 3.371) 3.553 8.445 ( -0.126 0.000 -3.626) 3.628 8.578 ( -3.519 0.000 1.622) 3.874 8.626 ( -2.450 0.000 -0.004) 2.450 8.806 ( -2.237 0.000 6.292) 6.678 9.067 ( 3.098 0.000 -2.541) 4.007 9.360 ( 3.948 0.000 -3.008) 4.964 9.509 ( 4.402 0.000 -7.767) 8.928 9.552 ( 1.813 0.000 4.811) 5.142 9.562 ( -4.698 0.000 2.139) 5.162 9.823 ( 4.266 0.000 -5.823) 7.219 9.894 ( 1.833 0.000 -6.051) 6.323 10.230 ( -40.900 0.000 0.692) 40.905 10.336 ( 5.226 0.000 1.590) 5.463 10.475 ( 2.911 0.000 -3.560) 4.598 10.686 ( 7.667 0.000 -7.474) 10.707 11.577 ( 2.963 0.000 4.296) 5.219 11.675 ( -4.091 0.000 1.677) 4.422 11.763 ( -4.260 0.000 8.622) 9.617 11.883 ( 0.281 0.000 0.966) 1.006 12.745 ( 2.291 0.000 2.560) 3.436 12.932 ( -3.517 0.000 -4.766) 5.923 13.446 ( 0.560 0.000 -1.758) 1.845 13.477 ( 2.456 0.000 -3.062) 3.925 13.833 ( -3.338 0.000 3.896) 5.131 13.895 ( 0.166 0.000 0.757) 0.775 14.608 ( 2.596 0.000 -2.706) 3.750 14.639 ( 1.290 0.000 3.270) 3.515 14.665 ( 2.084 0.000 -3.964) 4.479 14.808 ( -1.279 0.000 -3.606) 3.826 15.276 ( 0.712 0.000 0.646) 0.962 15.320 ( 1.041 0.000 -1.485) 1.814 15.961 ( -2.461 0.000 4.445) 5.081 15.995 ( -1.902 0.000 1.895) 2.685 16.214 ( 2.109 0.000 -2.036) 2.931 16.290 ( 3.615 0.000 -6.458) 7.400 16.403 ( -6.637 0.000 7.948) 10.354 16.795 ( 2.114 0.000 -8.611) 8.867 17.165 ( 0.396 0.000 1.240) 1.302 17.217 ( -0.002 0.000 -1.065) 1.065 17.747 ( -8.453 0.000 1.259) 8.546 17.772 ( 5.395 0.000 0.738) 5.446 17.893 ( -26.698 0.000 0.647) 26.705 17.922 ( 12.860 0.000 -1.696) 12.971 18.269 ( 0.978 0.000 4.843) 4.941 18.507 ( -9.239 0.000 -6.025) 11.030 19.193 ( -1.902 0.000 5.282) 5.614 19.326 ( -2.812 0.000 -1.473) 3.175 19.455 ( 8.876 0.000 -0.538) 8.892 19.461 ( 1.790 0.000 -0.341) 1.822 20.158 ( -6.313 0.000 -0.145) 6.314 20.174 ( 9.742 0.000 -0.133) 9.743 20.280 ( 2.620 0.000 4.229) 4.975 20.378 ( -0.942 0.000 0.471) 1.053 ======================= Grid point 106 (50/96) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -6.039 0.000 3.853) 7.163 0.971 ( -0.762 0.000 9.834) 9.864 1.012 ( -8.397 0.000 17.335) 19.261 1.229 ( -0.194 0.000 6.612) 6.615 1.239 ( -6.063 0.000 -5.290) 8.046 1.326 ( 1.522 0.000 4.052) 4.329 1.390 ( 1.275 0.000 2.115) 2.469 1.562 ( -0.117 0.000 0.617) 0.628 1.663 ( 5.895 0.000 4.505) 7.419 1.690 ( 0.766 0.000 -4.269) 4.338 1.743 ( -0.249 0.000 -11.458) 11.461 1.839 ( -1.374 0.000 -3.372) 3.642 1.965 ( 11.393 0.000 1.953) 11.559 2.004 ( -7.648 0.000 1.729) 7.841 2.037 ( -2.887 0.000 1.111) 3.093 2.077 ( 5.581 0.000 -3.610) 6.647 2.182 ( -0.855 0.000 -0.933) 1.266 2.416 ( 0.178 0.000 2.587) 2.593 2.444 ( 0.129 0.000 -1.476) 1.481 2.562 ( -2.077 0.000 0.303) 2.099 2.613 ( 1.377 0.000 2.194) 2.590 2.695 ( 1.979 0.000 -1.038) 2.234 2.783 ( -1.206 0.000 5.618) 5.746 2.923 ( 2.301 0.000 -3.786) 4.431 2.936 ( 0.393 0.000 -3.712) 3.733 2.992 ( 0.997 0.000 -3.992) 4.115 3.017 ( -2.319 0.000 2.999) 3.791 3.059 ( 2.154 0.000 -4.304) 4.813 3.191 ( -1.295 0.000 -0.255) 1.319 3.236 ( -1.341 0.000 1.845) 2.281 3.248 ( 1.771 0.000 -2.379) 2.966 3.346 ( 1.823 0.000 -2.051) 2.744 3.713 ( 1.621 0.000 0.079) 1.623 3.740 ( 2.418 0.000 0.168) 2.424 3.988 ( -3.447 0.000 8.851) 9.498 4.060 ( -4.033 0.000 3.387) 5.266 4.151 ( -8.091 0.000 7.470) 11.012 4.469 ( 1.026 0.000 2.662) 2.853 4.498 ( -2.065 0.000 -3.925) 4.435 4.525 ( -5.197 0.000 3.277) 6.144 4.729 ( 8.875 0.000 -10.372) 13.651 4.829 ( 3.960 0.000 0.715) 4.024 4.940 ( 1.344 0.000 -4.633) 4.824 4.998 ( 7.125 0.000 -10.422) 12.625 5.077 ( 2.285 0.000 0.907) 2.458 5.157 ( -1.445 0.000 -1.354) 1.980 5.396 ( 2.534 0.000 5.443) 6.004 5.438 ( -1.850 0.000 -5.172) 5.493 5.682 ( -1.755 0.000 3.635) 4.037 5.839 ( -3.010 0.000 10.627) 11.045 5.884 ( 0.886 0.000 -5.801) 5.868 6.070 ( -1.544 0.000 -3.528) 3.851 6.201 ( -0.499 0.000 -1.006) 1.123 6.247 ( 1.110 0.000 -1.623) 1.966 6.628 ( -5.465 0.000 5.785) 7.959 6.916 ( 2.725 0.000 -4.304) 5.094 7.029 ( -0.407 0.000 3.397) 3.422 7.062 ( -3.724 0.000 -2.116) 4.284 7.283 ( -4.620 0.000 -0.535) 4.651 7.353 ( 3.139 0.000 1.087) 3.322 7.574 ( -3.739 0.000 7.720) 8.578 7.603 ( -6.120 0.000 3.048) 6.837 7.693 ( -3.377 0.000 4.196) 5.386 7.701 ( 0.645 0.000 0.152) 0.662 8.005 ( -1.423 0.000 -0.665) 1.570 8.061 ( 0.528 0.000 0.735) 0.905 8.248 ( -2.847 0.000 4.112) 5.001 8.395 ( -1.922 0.000 -3.281) 3.803 8.551 ( -1.973 0.000 2.659) 3.311 8.570 ( -5.706 0.000 3.679) 6.789 8.813 ( -3.296 0.000 4.654) 5.703 9.093 ( 2.901 0.000 -3.020) 4.187 9.382 ( 3.652 0.000 -6.323) 7.302 9.470 ( -5.540 0.000 -2.510) 6.082 9.510 ( -4.886 0.000 4.769) 6.827 9.607 ( -3.405 0.000 5.482) 6.454 9.725 ( -15.589 0.000 10.381) 18.730 9.862 ( 1.168 0.000 -5.770) 5.887 9.865 ( 5.713 0.000 -8.720) 10.425 10.366 ( -3.656 0.000 5.367) 6.494 10.584 ( 10.241 0.000 -1.279) 10.321 10.758 ( 8.914 0.000 -6.849) 11.241 11.622 ( -2.749 0.000 -0.087) 2.751 11.655 ( 1.074 0.000 4.338) 4.469 11.783 ( -2.415 0.000 7.279) 7.670 11.895 ( -0.067 0.000 1.021) 1.023 12.822 ( 3.136 0.000 3.744) 4.884 12.846 ( -1.677 0.000 -4.619) 4.914 13.426 ( -0.886 0.000 -2.097) 2.276 13.482 ( 1.762 0.000 -3.015) 3.493 13.805 ( -4.145 0.000 3.900) 5.691 13.901 ( -0.764 0.000 1.244) 1.460 14.613 ( 1.211 0.000 -1.595) 2.002 14.660 ( 2.077 0.000 -4.649) 5.091 14.722 ( 4.018 0.000 2.701) 4.841 14.747 ( -1.215 0.000 -3.854) 4.041 15.300 ( 1.528 0.000 0.073) 1.530 15.319 ( 1.253 0.000 -2.510) 2.805 15.958 ( -2.981 0.000 4.279) 5.215 16.003 ( 0.755 0.000 2.106) 2.237 16.228 ( 1.803 0.000 -2.165) 2.817 16.298 ( 4.554 0.000 -5.946) 7.490 16.380 ( -6.013 0.000 9.377) 11.140 16.721 ( -3.736 0.000 -4.850) 6.122 17.179 ( -0.130 0.000 1.248) 1.255 17.192 ( -2.168 0.000 -1.676) 2.740 17.341 ( -25.242 0.000 7.515) 26.337 17.789 ( -1.701 0.000 0.492) 1.771 17.799 ( -0.682 0.000 -0.112) 0.691 18.171 ( 12.463 0.000 3.159) 12.857 18.298 ( -11.491 0.000 -0.574) 11.505 18.309 ( -2.323 0.000 5.838) 6.283 19.268 ( 3.547 0.000 4.872) 6.027 19.288 ( -0.987 0.000 0.451) 1.086 19.468 ( 0.761 0.000 -2.958) 3.054 19.525 ( 3.384 0.000 -4.508) 5.637 20.051 ( -5.545 0.000 -0.389) 5.558 20.305 ( 6.107 0.000 -0.300) 6.114 20.348 ( -1.810 0.000 -1.298) 2.227 20.366 ( 4.002 0.000 1.038) 4.134 ======================= Grid point 107 (51/96) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -2.974 0.000 2.564) 3.926 1.018 ( -7.198 0.000 12.738) 14.631 1.043 ( -5.719 0.000 -2.566) 6.268 1.048 ( -1.420 0.000 -0.464) 1.494 1.278 ( -1.779 0.000 5.126) 5.426 1.320 ( -1.255 0.000 -1.977) 2.341 1.436 ( 1.381 0.000 5.678) 5.843 1.574 ( -0.558 0.000 -4.147) 4.184 1.600 ( 0.080 0.000 -1.962) 1.964 1.740 ( 2.808 0.000 -0.313) 2.826 1.753 ( 3.478 0.000 -1.132) 3.658 1.890 ( 4.034 0.000 4.782) 6.256 1.901 ( -5.024 0.000 0.176) 5.028 2.012 ( 0.775 0.000 -1.770) 1.932 2.036 ( 7.813 0.000 -9.871) 12.588 2.167 ( 0.988 0.000 -2.431) 2.624 2.320 ( 8.744 0.000 8.085) 11.909 2.344 ( -4.294 0.000 -0.628) 4.339 2.516 ( 3.246 0.000 0.914) 3.373 2.518 ( -4.036 0.000 2.611) 4.807 2.667 ( -2.111 0.000 -2.188) 3.041 2.683 ( 2.611 0.000 6.942) 7.417 2.822 ( -3.279 0.000 5.976) 6.816 2.894 ( -1.104 0.000 -2.647) 2.868 2.894 ( -1.113 0.000 -2.642) 2.867 2.975 ( 1.403 0.000 -4.351) 4.572 3.057 ( 4.369 0.000 2.660) 5.115 3.060 ( 3.072 0.000 -4.473) 5.426 3.160 ( -2.237 0.000 0.008) 2.237 3.231 ( -0.863 0.000 0.958) 1.289 3.261 ( 1.332 0.000 -1.278) 1.846 3.378 ( 3.617 0.000 -1.497) 3.915 3.714 ( 1.142 0.000 -3.585) 3.763 3.747 ( 0.364 0.000 -3.125) 3.146 3.938 ( -7.224 0.000 1.916) 7.473 4.029 ( -2.496 0.000 2.374) 3.444 4.152 ( -5.238 0.000 12.974) 13.991 4.425 ( -1.405 0.000 -5.441) 5.620 4.435 ( -7.585 0.000 2.113) 7.874 4.483 ( -1.172 0.000 -0.229) 1.194 4.789 ( 8.734 0.000 -9.276) 12.741 4.927 ( 4.836 0.000 4.614) 6.684 4.951 ( 5.123 0.000 -5.589) 7.581 5.002 ( 4.801 0.000 -9.031) 10.228 5.124 ( 2.916 0.000 -1.112) 3.120 5.163 ( 0.332 0.000 5.996) 6.005 5.362 ( -2.219 0.000 -3.239) 3.927 5.498 ( 2.965 0.000 5.348) 6.115 5.695 ( -1.420 0.000 4.327) 4.554 5.849 ( 0.328 0.000 -3.959) 3.973 5.907 ( -2.634 0.000 12.934) 13.200 6.044 ( 0.694 0.000 -0.276) 0.747 6.187 ( -1.166 0.000 0.903) 1.475 6.256 ( 1.571 0.000 -1.109) 1.923 6.585 ( -6.213 0.000 6.537) 9.018 6.877 ( -0.523 0.000 -8.992) 9.007 7.001 ( -1.258 0.000 0.721) 1.450 7.024 ( -2.672 0.000 1.280) 2.963 7.214 ( -2.955 0.000 -0.331) 2.974 7.378 ( -3.101 0.000 4.530) 5.490 7.534 ( -5.100 0.000 1.748) 5.391 7.586 ( -3.621 0.000 3.631) 5.128 7.678 ( -1.584 0.000 4.390) 4.667 7.725 ( 1.483 0.000 0.487) 1.560 7.986 ( 0.391 0.000 -2.250) 2.284 8.069 ( -0.929 0.000 2.463) 2.633 8.236 ( -3.854 0.000 5.706) 6.886 8.319 ( -4.365 0.000 -1.331) 4.564 8.530 ( -3.570 0.000 4.956) 6.108 8.565 ( -0.353 0.000 4.384) 4.399 8.787 ( -4.362 0.000 3.624) 5.671 9.099 ( 1.983 0.000 -4.261) 4.699 9.324 ( -12.616 0.000 10.366) 16.328 9.366 ( 2.911 0.000 -7.283) 7.844 9.494 ( -3.457 0.000 5.757) 6.715 9.611 ( 3.871 0.000 -4.071) 5.618 9.711 ( -1.961 0.000 7.029) 7.297 9.823 ( 0.783 0.000 -5.834) 5.886 9.898 ( 6.750 0.000 -8.038) 10.496 10.355 ( -2.936 0.000 4.034) 4.989 10.728 ( 4.660 0.000 4.021) 6.155 10.845 ( 9.160 0.000 -6.999) 11.528 11.584 ( -0.726 0.000 -1.888) 2.023 11.692 ( -1.073 0.000 3.681) 3.834 11.807 ( -2.028 0.000 4.200) 4.664 11.897 ( -0.656 0.000 0.571) 0.870 12.786 ( -0.347 0.000 -4.208) 4.222 12.910 ( 2.428 0.000 4.187) 4.840 13.382 ( -1.854 0.000 -1.778) 2.569 13.482 ( 1.526 0.000 -2.820) 3.207 13.779 ( -3.632 0.000 4.527) 5.804 13.893 ( -1.507 0.000 1.363) 2.032 14.620 ( 1.176 0.000 -1.320) 1.767 14.640 ( 1.414 0.000 -5.323) 5.508 14.710 ( 0.527 0.000 -2.502) 2.557 14.808 ( 3.481 0.000 1.797) 3.918 15.321 ( 1.971 0.000 -2.232) 2.978 15.327 ( 2.042 0.000 -0.539) 2.112 15.941 ( -3.697 0.000 3.784) 5.290 16.055 ( 2.982 0.000 1.414) 3.301 16.232 ( 1.030 0.000 -1.949) 2.205 16.331 ( 5.429 0.000 -4.416) 6.999 16.382 ( -5.071 0.000 10.528) 11.685 16.586 ( -10.635 0.000 3.605) 11.230 17.055 ( -8.155 0.000 -0.845) 8.198 17.184 ( -0.581 0.000 0.997) 1.154 17.208 ( -2.551 0.000 2.358) 3.474 17.756 ( -2.493 0.000 0.041) 2.494 17.769 ( -2.114 0.000 -0.684) 2.221 18.124 ( -9.823 0.000 2.248) 10.078 18.251 ( -4.432 0.000 0.422) 4.452 18.381 ( 2.352 0.000 6.648) 7.052 19.279 ( -2.681 0.000 0.678) 2.766 19.379 ( 4.251 0.000 4.101) 5.907 19.438 ( 0.468 0.000 -2.932) 2.969 19.506 ( 0.448 0.000 -5.455) 5.474 19.990 ( -1.346 0.000 0.522) 1.444 20.305 ( -1.060 0.000 -1.930) 2.202 20.380 ( 2.266 0.000 0.908) 2.441 20.420 ( 3.764 0.000 -2.892) 4.747 ======================= Grid point 108 (52/96) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.078 0.000 0.920) 0.923 0.889 ( 2.048 0.000 -11.621) 11.800 1.034 ( -3.523 0.000 9.950) 10.556 1.083 ( -5.237 0.000 9.717) 11.038 1.276 ( -2.654 0.000 3.176) 4.139 1.303 ( -0.224 0.000 1.653) 1.668 1.519 ( 0.738 0.000 -3.899) 3.969 1.530 ( 1.345 0.000 7.701) 7.818 1.633 ( 5.339 0.000 -4.221) 6.806 1.744 ( -3.274 0.000 1.059) 3.441 1.769 ( -1.325 0.000 -0.853) 1.575 1.867 ( 2.818 0.000 -1.437) 3.163 1.992 ( 2.278 0.000 4.252) 4.824 2.073 ( 6.749 0.000 0.926) 6.812 2.077 ( 6.519 0.000 -6.905) 9.496 2.140 ( -1.124 0.000 -2.530) 2.769 2.291 ( -1.310 0.000 0.094) 1.313 2.432 ( 3.648 0.000 -2.834) 4.619 2.480 ( -6.283 0.000 6.769) 9.235 2.537 ( -1.362 0.000 -0.848) 1.605 2.608 ( -1.423 0.000 -2.718) 3.068 2.782 ( 1.480 0.000 0.747) 1.657 2.802 ( -4.430 0.000 4.947) 6.641 2.849 ( -2.525 0.000 -0.781) 2.643 2.854 ( -1.865 0.000 -1.879) 2.647 2.988 ( 4.609 0.000 -1.233) 4.771 3.070 ( 2.804 0.000 -2.642) 3.853 3.114 ( -1.874 0.000 0.589) 1.964 3.194 ( 6.703 0.000 1.461) 6.860 3.213 ( -1.213 0.000 -1.236) 1.731 3.271 ( 0.122 0.000 1.171) 1.178 3.427 ( 2.804 0.000 -0.181) 2.810 3.696 ( -1.908 0.000 -4.706) 5.078 3.712 ( 3.429 0.000 -3.262) 4.733 3.817 ( -8.297 0.000 -0.368) 8.305 4.038 ( 1.528 0.000 0.909) 1.778 4.165 ( -5.839 0.000 7.712) 9.673 4.333 ( -7.438 0.000 4.323) 8.603 4.369 ( 0.314 0.000 -2.656) 2.674 4.435 ( -2.967 0.000 -1.797) 3.469 4.825 ( 6.814 0.000 -10.349) 12.391 4.984 ( 3.963 0.000 -10.273) 11.011 4.991 ( 5.431 0.000 -5.021) 7.396 5.050 ( 3.394 0.000 3.261) 4.706 5.165 ( 2.299 0.000 3.312) 4.032 5.277 ( 2.682 0.000 10.588) 10.922 5.308 ( -2.543 0.000 0.540) 2.600 5.580 ( 1.430 0.000 3.387) 3.676 5.710 ( -1.963 0.000 4.450) 4.864 5.818 ( -0.424 0.000 -2.184) 2.225 5.985 ( -3.464 0.000 13.381) 13.822 6.083 ( 2.980 0.000 1.654) 3.408 6.183 ( -1.395 0.000 3.003) 3.311 6.278 ( 1.923 0.000 -0.536) 1.996 6.558 ( -4.151 0.000 6.335) 7.574 6.769 ( -1.275 0.000 -8.162) 8.261 6.976 ( -3.213 0.000 -0.307) 3.228 7.010 ( 0.639 0.000 0.699) 0.947 7.181 ( -0.419 0.000 -0.561) 0.700 7.351 ( -5.352 0.000 5.180) 7.448 7.463 ( -4.389 0.000 0.229) 4.395 7.520 ( -6.526 0.000 2.633) 7.037 7.721 ( 2.141 0.000 1.687) 2.726 7.750 ( 0.312 0.000 1.160) 1.201 7.960 ( -0.103 0.000 -3.989) 3.990 8.081 ( -0.083 0.000 0.825) 0.829 8.236 ( -3.586 0.000 7.147) 7.997 8.242 ( -4.436 0.000 2.180) 4.943 8.541 ( -0.700 0.000 4.147) 4.206 8.617 ( 0.889 0.000 4.629) 4.714 8.747 ( -4.856 0.000 4.948) 6.933 9.084 ( 1.398 0.000 -4.429) 4.644 9.253 ( -8.642 0.000 10.605) 13.680 9.348 ( 2.218 0.000 -5.983) 6.381 9.501 ( -1.852 0.000 5.494) 5.798 9.634 ( 4.276 0.000 -5.628) 7.068 9.764 ( 0.302 0.000 6.813) 6.819 9.782 ( 1.704 0.000 -6.655) 6.870 9.920 ( 4.490 0.000 -7.096) 8.397 10.342 ( -2.990 0.000 3.413) 4.537 10.810 ( -0.229 0.000 5.646) 5.650 10.918 ( 7.871 0.000 -7.936) 11.177 11.558 ( 0.586 0.000 -3.753) 3.799 11.682 ( -2.250 0.000 -1.714) 2.828 11.790 ( -3.399 0.000 3.165) 4.644 11.885 ( -1.034 0.000 0.010) 1.034 12.760 ( 1.444 0.000 -2.801) 3.151 12.968 ( 0.005 0.000 3.081) 3.081 13.340 ( -1.346 0.000 -1.013) 1.684 13.476 ( 0.848 0.000 -2.818) 2.943 13.771 ( -2.886 0.000 5.103) 5.863 13.883 ( -1.134 0.000 1.420) 1.817 14.619 ( 2.104 0.000 -4.652) 5.106 14.625 ( 0.962 0.000 -1.465) 1.752 14.712 ( 1.660 0.000 -1.063) 1.971 14.867 ( 2.140 0.000 0.609) 2.225 15.347 ( 2.972 0.000 -0.993) 3.134 15.362 ( 2.562 0.000 -0.073) 2.563 15.910 ( -3.930 0.000 3.234) 5.089 16.110 ( 2.882 0.000 -1.156) 3.105 16.227 ( 0.179 0.000 -0.999) 1.015 16.389 ( 4.861 0.000 -3.633) 6.069 16.412 ( -3.784 0.000 11.012) 11.644 16.471 ( -9.931 0.000 10.696) 14.596 16.947 ( -2.280 0.000 -4.682) 5.207 17.181 ( -0.780 0.000 0.855) 1.158 17.206 ( -0.841 0.000 2.485) 2.624 17.710 ( -2.856 0.000 0.121) 2.859 17.726 ( -2.264 0.000 -0.406) 2.300 18.026 ( -5.825 0.000 4.766) 7.527 18.121 ( -8.155 0.000 -5.159) 9.650 18.423 ( -2.139 0.000 2.599) 3.366 19.187 ( -4.509 0.000 -4.108) 6.099 19.440 ( -0.852 0.000 -5.881) 5.943 19.463 ( 1.119 0.000 3.761) 3.924 19.486 ( 3.477 0.000 3.094) 4.654 20.002 ( 0.869 0.000 1.145) 1.437 20.286 ( 0.523 0.000 -0.984) 1.114 20.382 ( -0.726 0.000 -2.608) 2.707 20.454 ( 3.201 0.000 -2.425) 4.016 ======================= Grid point 109 (53/96) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.714 0.000 0.390) 0.813 0.875 ( 3.641 0.000 -5.638) 6.711 1.065 ( -7.003 0.000 10.092) 12.283 1.091 ( -0.081 0.000 7.370) 7.371 1.265 ( -1.258 0.000 2.546) 2.840 1.347 ( 2.665 0.000 3.290) 4.234 1.504 ( 1.205 0.000 -4.716) 4.868 1.625 ( 2.585 0.000 5.555) 6.127 1.641 ( -0.610 0.000 -3.755) 3.804 1.702 ( -5.467 0.000 0.372) 5.480 1.756 ( 4.807 0.000 3.889) 6.183 1.912 ( 2.648 0.000 -4.382) 5.120 2.063 ( 3.707 0.000 -0.616) 3.758 2.105 ( 1.783 0.000 1.389) 2.260 2.143 ( 6.020 0.000 -4.498) 7.515 2.186 ( 3.431 0.000 2.992) 4.552 2.300 ( 1.331 0.000 0.857) 1.583 2.401 ( -4.842 0.000 0.385) 4.858 2.452 ( -2.840 0.000 1.677) 3.299 2.468 ( -4.181 0.000 -1.926) 4.603 2.575 ( -0.335 0.000 -1.543) 1.579 2.755 ( -2.449 0.000 -8.845) 9.178 2.774 ( -3.874 0.000 4.011) 5.577 2.805 ( 1.321 0.000 -0.553) 1.432 2.814 ( -0.702 0.000 0.357) 0.788 2.964 ( -4.754 0.000 -2.823) 5.529 3.099 ( 0.397 0.000 -1.273) 1.333 3.160 ( 4.411 0.000 -0.492) 4.438 3.187 ( 3.348 0.000 -2.030) 3.915 3.286 ( 1.564 0.000 2.126) 2.639 3.292 ( -0.106 0.000 3.365) 3.367 3.448 ( -0.454 0.000 -0.021) 0.454 3.603 ( -2.723 0.000 -5.795) 6.403 3.650 ( -8.377 0.000 -4.940) 9.725 3.784 ( 6.398 0.000 0.917) 6.463 4.062 ( 0.983 0.000 -2.263) 2.467 4.125 ( -4.110 0.000 3.459) 5.372 4.290 ( -5.963 0.000 9.454) 11.178 4.374 ( -0.867 0.000 -2.372) 2.525 4.381 ( 0.255 0.000 2.571) 2.584 4.830 ( 6.104 0.000 -10.556) 12.194 4.935 ( 2.728 0.000 -11.465) 11.785 5.023 ( 2.749 0.000 -3.146) 4.178 5.084 ( 1.609 0.000 -2.084) 2.633 5.277 ( 2.280 0.000 9.075) 9.357 5.292 ( -1.842 0.000 4.163) 4.553 5.420 ( 1.930 0.000 9.997) 10.181 5.599 ( -1.276 0.000 0.282) 1.307 5.719 ( -1.909 0.000 4.366) 4.765 5.795 ( -0.530 0.000 -0.760) 0.926 6.035 ( -5.343 0.000 11.793) 12.947 6.167 ( 5.066 0.000 1.321) 5.235 6.199 ( -1.657 0.000 5.750) 5.984 6.306 ( 1.787 0.000 -0.138) 1.792 6.567 ( -1.676 0.000 5.186) 5.450 6.704 ( 1.280 0.000 -4.954) 5.117 6.921 ( -2.383 0.000 -0.981) 2.577 7.018 ( 0.037 0.000 -0.813) 0.814 7.190 ( 1.634 0.000 0.195) 1.646 7.307 ( -4.843 0.000 3.711) 6.101 7.405 ( -2.016 0.000 -0.357) 2.047 7.436 ( -6.189 0.000 2.117) 6.541 7.756 ( -1.107 0.000 1.502) 1.866 7.769 ( 2.315 0.000 0.376) 2.345 7.919 ( 0.239 0.000 -3.732) 3.740 8.055 ( -0.728 0.000 -4.660) 4.717 8.237 ( -2.060 0.000 7.628) 7.901 8.250 ( -2.961 0.000 7.156) 7.744 8.574 ( 0.113 0.000 3.135) 3.137 8.648 ( -1.196 0.000 1.181) 1.681 8.751 ( -2.583 0.000 9.671) 10.010 9.067 ( 1.741 0.000 -4.321) 4.659 9.226 ( -6.282 0.000 9.676) 11.537 9.314 ( -0.979 0.000 -3.155) 3.304 9.546 ( 2.039 0.000 3.479) 4.032 9.647 ( 3.054 0.000 -4.476) 5.419 9.757 ( 3.583 0.000 -7.754) 8.541 9.828 ( 1.054 0.000 1.291) 1.666 9.930 ( 2.671 0.000 -0.311) 2.689 10.320 ( -3.835 0.000 3.771) 5.379 10.832 ( -2.783 0.000 4.483) 5.276 10.949 ( 5.536 0.000 -9.033) 10.595 11.526 ( 0.790 0.000 -5.475) 5.532 11.575 ( -3.519 0.000 -8.667) 9.354 11.777 ( -3.040 0.000 4.811) 5.691 11.868 ( -0.774 0.000 -0.143) 0.787 12.784 ( 3.542 0.000 -0.957) 3.669 12.964 ( -2.586 0.000 0.727) 2.687 13.322 ( 0.011 0.000 -0.262) 0.262 13.455 ( 0.289 0.000 -3.344) 3.357 13.778 ( -2.392 0.000 5.413) 5.918 13.883 ( -0.635 0.000 1.425) 1.560 14.622 ( 2.975 0.000 -3.893) 4.899 14.622 ( 0.596 0.000 -1.833) 1.927 14.742 ( 1.989 0.000 0.657) 2.094 14.891 ( 0.716 0.000 -0.526) 0.889 15.399 ( 3.757 0.000 -0.042) 3.757 15.407 ( 2.127 0.000 0.715) 2.244 15.880 ( -3.219 0.000 3.295) 4.607 16.121 ( 1.412 0.000 -3.821) 4.074 16.221 ( -0.514 0.000 0.357) 0.626 16.350 ( -6.612 0.000 3.545) 7.502 16.462 ( -2.645 0.000 10.455) 10.784 16.526 ( 2.343 0.000 8.706) 9.015 16.882 ( 0.590 0.000 -5.904) 5.933 17.177 ( -0.789 0.000 0.884) 1.185 17.222 ( -0.222 0.000 2.430) 2.440 17.673 ( -1.916 0.000 0.790) 2.072 17.688 ( -2.145 0.000 -0.264) 2.161 17.900 ( -6.970 0.000 -12.491) 14.304 18.019 ( -1.880 0.000 6.843) 7.096 18.383 ( -3.154 0.000 -0.663) 3.223 19.101 ( -1.964 0.000 -1.780) 2.651 19.354 ( -1.931 0.000 -6.532) 6.811 19.524 ( 1.154 0.000 4.798) 4.935 19.569 ( 3.018 0.000 2.495) 3.915 20.020 ( -0.072 0.000 1.060) 1.063 20.300 ( 1.076 0.000 0.602) 1.233 20.322 ( -1.604 0.000 -5.298) 5.535 20.471 ( 1.687 0.000 -2.744) 3.221 ======================= Grid point 110 (54/96) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -8.929 0.000 1.748) 9.098 0.882 ( 0.401 0.000 0.543) 0.675 1.105 ( 2.287 0.000 6.238) 6.644 1.137 ( -2.984 0.000 6.726) 7.358 1.316 ( 5.843 0.000 0.559) 5.870 1.433 ( 3.392 0.000 -1.464) 3.694 1.464 ( 1.159 0.000 -1.798) 2.139 1.584 ( -6.406 0.000 -2.399) 6.840 1.622 ( 1.078 0.000 -0.998) 1.469 1.743 ( 2.800 0.000 7.209) 7.733 1.857 ( -1.869 0.000 -5.431) 5.743 1.917 ( 6.920 0.000 6.620) 9.577 2.083 ( 0.790 0.000 -3.418) 3.508 2.179 ( -0.481 0.000 2.916) 2.955 2.208 ( 4.597 0.000 0.698) 4.650 2.215 ( -3.478 0.000 3.066) 4.637 2.340 ( 1.827 0.000 -5.581) 5.873 2.353 ( 4.267 0.000 -0.779) 4.338 2.393 ( -1.144 0.000 -2.221) 2.498 2.399 ( -4.581 0.000 3.384) 5.695 2.558 ( -0.591 0.000 -0.501) 0.775 2.563 ( -9.825 0.000 -10.246) 14.195 2.766 ( -2.001 0.000 3.958) 4.435 2.835 ( -2.190 0.000 1.474) 2.640 2.843 ( 2.271 0.000 3.485) 4.159 2.845 ( -1.149 0.000 -3.276) 3.471 3.085 ( 0.370 0.000 -3.789) 3.807 3.167 ( 3.090 0.000 -3.442) 4.625 3.269 ( 1.920 0.000 0.473) 1.977 3.294 ( -3.327 0.000 2.713) 4.293 3.359 ( 5.658 0.000 2.942) 6.377 3.399 ( -6.073 0.000 0.152) 6.075 3.487 ( -1.729 0.000 -6.842) 7.057 3.511 ( -0.681 0.000 -6.825) 6.859 3.910 ( 4.816 0.000 3.678) 6.060 4.025 ( -2.663 0.000 -2.075) 3.376 4.114 ( -1.885 0.000 4.870) 5.222 4.264 ( -3.286 0.000 1.250) 3.515 4.396 ( 0.714 0.000 5.563) 5.608 4.405 ( -0.597 0.000 2.536) 2.605 4.824 ( 4.415 0.000 -9.958) 10.893 4.864 ( 2.074 0.000 -11.283) 11.473 5.027 ( 0.744 0.000 -0.876) 1.149 5.088 ( 2.227 0.000 -3.668) 4.291 5.323 ( -0.897 0.000 6.389) 6.451 5.379 ( -0.610 0.000 8.151) 8.173 5.518 ( 0.093 0.000 6.764) 6.765 5.561 ( -2.657 0.000 -0.248) 2.669 5.730 ( -0.758 0.000 3.001) 3.095 5.790 ( 0.472 0.000 -0.019) 0.472 6.027 ( -7.549 0.000 9.145) 11.858 6.225 ( -1.556 0.000 5.294) 5.518 6.275 ( 5.094 0.000 2.210) 5.553 6.330 ( 0.887 0.000 0.140) 0.898 6.585 ( -0.798 0.000 1.898) 2.059 6.719 ( 4.454 0.000 -2.193) 4.965 6.891 ( -0.528 0.000 0.640) 0.830 6.992 ( -0.888 0.000 -3.048) 3.175 7.233 ( 2.360 0.000 1.493) 2.793 7.260 ( -4.363 0.000 1.774) 4.710 7.359 ( -4.649 0.000 2.140) 5.117 7.403 ( 1.961 0.000 0.244) 1.976 7.745 ( -1.649 0.000 1.490) 2.223 7.808 ( 2.845 0.000 -1.082) 3.044 7.908 ( 1.442 0.000 -1.528) 2.101 7.991 ( -0.459 0.000 -5.856) 5.874 8.272 ( -2.541 0.000 6.849) 7.305 8.292 ( -1.125 0.000 8.305) 8.381 8.597 ( -0.484 0.000 2.051) 2.107 8.628 ( -2.411 0.000 2.183) 3.252 8.808 ( -2.289 0.000 8.975) 9.262 9.059 ( 2.117 0.000 -4.150) 4.659 9.234 ( -2.952 0.000 8.535) 9.031 9.269 ( -1.795 0.000 -0.841) 1.982 9.617 ( 3.712 0.000 -0.057) 3.712 9.647 ( 1.073 0.000 -2.852) 3.047 9.756 ( 5.232 0.000 -7.371) 9.039 9.805 ( 1.492 0.000 -8.250) 8.384 10.033 ( 2.101 0.000 12.057) 12.238 10.289 ( -4.469 0.000 4.363) 6.246 10.806 ( -3.584 0.000 1.159) 3.767 10.934 ( 3.368 0.000 -9.186) 9.783 11.437 ( -2.286 0.000 -8.477) 8.780 11.479 ( 0.329 0.000 -6.236) 6.244 11.770 ( -3.456 0.000 4.963) 6.048 11.860 ( -0.146 0.000 0.016) 0.147 12.855 ( 4.903 0.000 0.563) 4.935 12.904 ( -3.927 0.000 -1.364) 4.157 13.335 ( 1.495 0.000 0.178) 1.506 13.428 ( 0.728 0.000 -3.745) 3.815 13.794 ( -1.967 0.000 5.423) 5.769 13.884 ( -0.687 0.000 1.071) 1.272 14.609 ( 0.150 0.000 -2.215) 2.220 14.639 ( 3.156 0.000 -3.568) 4.763 14.785 ( 1.536 0.000 1.870) 2.420 14.880 ( -0.814 0.000 -1.564) 1.763 15.436 ( 0.469 0.000 0.410) 0.623 15.462 ( 3.917 0.000 -0.767) 3.992 15.870 ( -2.112 0.000 4.081) 4.595 16.095 ( 0.539 0.000 -4.388) 4.421 16.219 ( -0.737 0.000 1.618) 1.778 16.278 ( -6.066 0.000 4.126) 7.336 16.517 ( -2.521 0.000 9.701) 10.024 16.665 ( 1.736 0.000 11.948) 12.073 16.861 ( 3.368 0.000 -4.376) 5.522 17.159 ( -2.012 0.000 -0.628) 2.107 17.240 ( -0.063 0.000 1.701) 1.702 17.612 ( -1.655 0.000 -10.737) 10.864 17.664 ( -0.509 0.000 1.286) 1.383 17.729 ( -0.723 0.000 -5.718) 5.763 18.086 ( 1.072 0.000 8.134) 8.204 18.316 ( -2.840 0.000 -2.732) 3.941 19.084 ( -0.056 0.000 1.393) 1.394 19.255 ( -2.684 0.000 -6.050) 6.619 19.589 ( 1.680 0.000 3.110) 3.535 19.634 ( 2.747 0.000 1.076) 2.950 20.031 ( -0.173 0.000 2.455) 2.461 20.240 ( -1.293 0.000 -6.190) 6.323 20.324 ( 0.430 0.000 1.544) 1.603 20.458 ( 0.500 0.000 -3.737) 3.770 ======================= Grid point 111 (55/96) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -12.249 0.000 7.059) 14.137 0.884 ( -0.805 0.000 -0.046) 0.806 1.140 ( -3.997 0.000 6.998) 8.059 1.222 ( 5.258 0.000 3.821) 6.500 1.402 ( -1.405 0.000 -5.503) 5.680 1.404 ( 1.584 0.000 -5.667) 5.884 1.468 ( 0.099 0.000 1.810) 1.813 1.542 ( 3.129 0.000 1.943) 3.683 1.647 ( 2.881 0.000 -0.360) 2.903 1.777 ( -4.410 0.000 0.754) 4.474 1.856 ( 5.447 0.000 1.413) 5.628 2.017 ( -2.565 0.000 1.556) 3.000 2.043 ( -1.327 0.000 -3.170) 3.436 2.130 ( -8.156 0.000 5.048) 9.591 2.151 ( -9.079 0.000 -12.169) 15.183 2.219 ( 2.313 0.000 5.434) 5.906 2.314 ( -3.684 0.000 -2.556) 4.484 2.339 ( 0.864 0.000 -6.141) 6.201 2.389 ( 1.506 0.000 5.900) 6.089 2.422 ( -1.401 0.000 4.642) 4.848 2.447 ( 6.677 0.000 -0.847) 6.730 2.571 ( 3.791 0.000 -1.158) 3.963 2.755 ( -2.971 0.000 -0.622) 3.036 2.770 ( -1.564 0.000 3.043) 3.422 2.876 ( 2.273 0.000 -0.561) 2.341 2.930 ( 0.100 0.000 7.322) 7.322 3.055 ( 3.432 0.000 -5.701) 6.654 3.177 ( -9.501 0.000 -0.285) 9.505 3.208 ( 5.756 0.000 -4.187) 7.118 3.264 ( -2.164 0.000 0.007) 2.164 3.367 ( -0.981 0.000 3.635) 3.765 3.434 ( 0.467 0.000 -4.470) 4.494 3.450 ( 2.298 0.000 -3.096) 3.855 3.534 ( 9.452 0.000 1.103) 9.516 3.929 ( -5.849 0.000 -3.308) 6.719 3.984 ( 0.167 0.000 2.249) 2.255 4.155 ( -1.056 0.000 8.417) 8.483 4.232 ( 0.278 0.000 -1.998) 2.017 4.411 ( -0.227 0.000 0.725) 0.760 4.466 ( -0.605 0.000 8.280) 8.302 4.776 ( 0.721 0.000 -8.863) 8.893 4.798 ( 2.916 0.000 -10.860) 11.245 5.056 ( 2.950 0.000 1.144) 3.164 5.079 ( 0.877 0.000 -4.430) 4.516 5.369 ( -1.391 0.000 6.193) 6.348 5.399 ( -3.967 0.000 4.339) 5.879 5.518 ( -2.935 0.000 1.013) 3.105 5.555 ( -1.001 0.000 3.145) 3.300 5.757 ( 0.850 0.000 2.366) 2.514 5.817 ( 2.700 0.000 0.631) 2.773 5.965 ( -8.456 0.000 6.563) 10.703 6.237 ( -2.841 0.000 4.863) 5.632 6.335 ( -0.387 0.000 0.056) 0.391 6.368 ( 4.244 0.000 0.175) 4.247 6.565 ( -1.612 0.000 -1.655) 2.311 6.796 ( 6.021 0.000 -0.918) 6.090 6.918 ( 1.208 0.000 2.841) 3.087 6.940 ( -0.553 0.000 -4.648) 4.680 7.180 ( -6.318 0.000 1.068) 6.407 7.299 ( 3.454 0.000 2.329) 4.166 7.353 ( 1.321 0.000 2.227) 2.589 7.461 ( 3.383 0.000 1.531) 3.713 7.741 ( -0.567 0.000 2.149) 2.223 7.836 ( 1.645 0.000 -1.461) 2.200 7.934 ( 0.511 0.000 -6.174) 6.195 7.938 ( 3.161 0.000 -0.020) 3.161 8.287 ( -3.201 0.000 5.812) 6.635 8.351 ( -0.748 0.000 7.377) 7.414 8.598 ( -0.950 0.000 1.084) 1.441 8.620 ( -1.571 0.000 3.317) 3.670 8.832 ( -4.458 0.000 7.652) 8.856 9.056 ( 1.905 0.000 -3.629) 4.099 9.247 ( -0.545 0.000 0.561) 0.782 9.292 ( 1.007 0.000 6.429) 6.507 9.624 ( -1.603 0.000 -1.002) 1.890 9.651 ( 3.467 0.000 -5.158) 6.215 9.752 ( 3.732 0.000 -11.032) 11.646 9.795 ( 5.873 0.000 -4.411) 7.345 10.222 ( 3.386 0.000 17.948) 18.264 10.255 ( -3.944 0.000 3.105) 5.020 10.740 ( -3.373 0.000 -2.246) 4.053 10.901 ( 2.359 0.000 -6.603) 7.011 11.356 ( -0.536 0.000 -3.120) 3.166 11.424 ( -0.072 0.000 -5.374) 5.375 11.757 ( -4.001 0.000 5.443) 6.755 11.861 ( 0.191 0.000 0.051) 0.198 12.820 ( -3.679 0.000 -2.313) 4.346 12.948 ( 4.813 0.000 1.406) 5.014 13.373 ( 2.772 0.000 0.195) 2.779 13.411 ( 1.651 0.000 -3.876) 4.213 13.816 ( -1.366 0.000 4.961) 5.145 13.881 ( -0.671 0.000 0.699) 0.969 14.587 ( -0.171 0.000 -2.333) 2.339 14.657 ( 2.952 0.000 -3.449) 4.540 14.822 ( 0.648 0.000 2.002) 2.104 14.834 ( -2.365 0.000 -2.548) 3.477 15.425 ( -1.530 0.000 -0.756) 1.707 15.498 ( 2.199 0.000 -3.540) 4.167 15.886 ( -1.248 0.000 5.070) 5.221 16.065 ( 0.566 0.000 -3.452) 3.499 16.226 ( -1.082 0.000 2.770) 2.974 16.240 ( -2.616 0.000 3.549) 4.409 16.556 ( -3.971 0.000 9.266) 10.081 16.769 ( 1.136 0.000 3.513) 3.692 16.960 ( 5.286 0.000 12.019) 13.130 17.095 ( -1.791 0.000 -4.788) 5.111 17.249 ( -0.387 0.000 1.001) 1.073 17.502 ( 4.126 0.000 -14.590) 15.162 17.676 ( 0.407 0.000 1.136) 1.207 17.713 ( 0.913 0.000 -0.422) 1.006 18.202 ( 3.145 0.000 8.252) 8.831 18.241 ( -2.324 0.000 -3.654) 4.330 19.121 ( 1.718 0.000 3.421) 3.828 19.151 ( -3.583 0.000 -4.561) 5.800 19.622 ( -0.096 0.000 0.233) 0.252 19.685 ( 3.380 0.000 -0.834) 3.481 20.079 ( 1.941 0.000 4.964) 5.329 20.167 ( -0.562 0.000 -5.744) 5.771 20.341 ( -0.503 0.000 2.054) 2.115 20.418 ( -0.491 0.000 -4.638) 4.663 ======================= Grid point 112 (56/96) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -9.208 0.000 12.689) 15.677 0.820 ( -6.497 0.000 -3.431) 7.347 1.137 ( -4.719 0.000 6.005) 7.638 1.240 ( -7.826 0.000 -1.273) 7.929 1.315 ( -0.712 0.000 3.497) 3.569 1.408 ( 7.169 0.000 -6.411) 9.617 1.498 ( -1.626 0.000 -2.904) 3.328 1.569 ( 0.010 0.000 -0.782) 0.782 1.713 ( 4.300 0.000 -0.334) 4.313 1.754 ( -4.003 0.000 8.929) 9.785 1.843 ( -12.372 0.000 -2.379) 12.598 1.947 ( 2.442 0.000 -1.435) 2.832 1.961 ( -6.020 0.000 2.844) 6.658 1.989 ( 2.113 0.000 -4.619) 5.079 2.068 ( 1.063 0.000 -1.122) 1.546 2.242 ( -0.806 0.000 -7.324) 7.368 2.303 ( 1.125 0.000 0.439) 1.208 2.351 ( 3.107 0.000 1.708) 3.545 2.423 ( -4.516 0.000 6.784) 8.150 2.467 ( 1.729 0.000 1.754) 2.463 2.551 ( 7.026 0.000 -1.883) 7.273 2.640 ( 2.735 0.000 2.657) 3.813 2.741 ( 0.487 0.000 1.875) 1.937 2.774 ( -0.890 0.000 2.876) 3.010 2.911 ( 2.683 0.000 -0.454) 2.722 2.954 ( -1.243 0.000 1.712) 2.115 3.032 ( -6.067 0.000 0.640) 6.101 3.135 ( 5.420 0.000 1.417) 5.602 3.204 ( -1.937 0.000 -3.923) 4.375 3.267 ( 5.452 0.000 -4.583) 7.123 3.365 ( -2.622 0.000 3.388) 4.284 3.396 ( -0.865 0.000 -2.848) 2.977 3.509 ( 5.726 0.000 -0.982) 5.810 3.683 ( 1.270 0.000 1.756) 2.167 3.812 ( 1.351 0.000 -3.451) 3.706 3.965 ( -4.147 0.000 1.546) 4.426 4.222 ( -2.263 0.000 10.409) 10.652 4.230 ( 1.293 0.000 -1.711) 2.145 4.426 ( 2.570 0.000 -0.838) 2.704 4.528 ( -2.173 0.000 9.232) 9.484 4.696 ( 0.231 0.000 -8.088) 8.091 4.763 ( 5.122 0.000 -10.144) 11.363 5.022 ( -2.285 0.000 -4.978) 5.477 5.138 ( 4.829 0.000 1.201) 4.976 5.342 ( -6.395 0.000 2.368) 6.819 5.364 ( -4.569 0.000 2.104) 5.030 5.475 ( -3.139 0.000 0.260) 3.150 5.569 ( 0.286 0.000 2.114) 2.134 5.787 ( 0.215 0.000 1.023) 1.045 5.886 ( -7.502 0.000 5.511) 9.308 5.894 ( 5.551 0.000 0.495) 5.573 6.226 ( -3.257 0.000 3.834) 5.030 6.320 ( -1.082 0.000 -0.612) 1.243 6.404 ( 1.908 0.000 -3.827) 4.277 6.516 ( -2.273 0.000 -0.905) 2.447 6.890 ( 5.980 0.000 -3.808) 7.089 6.897 ( 0.731 0.000 -1.049) 1.278 6.963 ( 0.762 0.000 2.307) 2.429 7.100 ( -4.213 0.000 2.039) 4.681 7.386 ( 4.040 0.000 2.038) 4.525 7.429 ( 4.858 0.000 1.917) 5.223 7.536 ( 2.837 0.000 3.195) 4.272 7.767 ( -0.025 0.000 3.575) 3.575 7.828 ( -1.167 0.000 -1.143) 1.634 7.891 ( 2.082 0.000 -7.010) 7.312 8.006 ( 4.227 0.000 0.705) 4.286 8.272 ( -4.358 0.000 4.349) 6.157 8.407 ( 0.339 0.000 4.909) 4.921 8.597 ( -0.013 0.000 0.904) 0.904 8.638 ( -0.375 0.000 3.591) 3.610 8.808 ( -6.561 0.000 6.980) 9.580 9.052 ( 1.665 0.000 -3.543) 3.915 9.258 ( 0.727 0.000 0.962) 1.206 9.369 ( 2.211 0.000 2.746) 3.526 9.587 ( -1.477 0.000 -0.707) 1.638 9.648 ( 2.802 0.000 -5.781) 6.424 9.729 ( 5.834 0.000 -10.083) 11.649 9.852 ( 5.603 0.000 -4.109) 6.948 10.215 ( -1.728 0.000 -1.221) 2.116 10.470 ( 7.136 0.000 11.728) 13.728 10.661 ( -3.389 0.000 -2.216) 4.050 10.929 ( 4.558 0.000 3.995) 6.061 11.356 ( 0.815 0.000 1.882) 2.051 11.380 ( -0.632 0.000 -1.650) 1.767 11.745 ( -4.189 0.000 6.574) 7.795 11.865 ( 0.191 0.000 -0.053) 0.199 12.746 ( -2.453 0.000 -2.044) 3.193 13.034 ( 3.781 0.000 1.291) 3.995 13.411 ( 2.754 0.000 -3.775) 4.673 13.426 ( 3.391 0.000 -0.277) 3.402 13.838 ( -1.097 0.000 3.640) 3.802 13.877 ( -0.376 0.000 0.414) 0.559 14.562 ( -0.124 0.000 -2.074) 2.078 14.669 ( 2.497 0.000 -3.464) 4.270 14.759 ( -3.130 0.000 -2.925) 4.284 14.845 ( 0.167 0.000 1.372) 1.383 15.376 ( -2.790 0.000 -1.435) 3.137 15.459 ( -1.256 0.000 -5.663) 5.801 15.918 ( -1.213 0.000 5.346) 5.482 16.049 ( 0.517 0.000 -1.831) 1.903 16.228 ( -1.882 0.000 2.359) 3.018 16.257 ( 1.538 0.000 1.128) 1.907 16.552 ( -6.446 0.000 7.929) 10.219 16.803 ( 3.536 0.000 -3.358) 4.877 17.048 ( 2.806 0.000 -5.235) 5.940 17.212 ( 3.290 0.000 4.792) 5.812 17.303 ( 4.816 0.000 24.921) 25.382 17.463 ( 6.507 0.000 -12.606) 14.186 17.696 ( 1.017 0.000 0.764) 1.272 17.739 ( 2.416 0.000 -0.292) 2.434 18.177 ( -1.147 0.000 -2.936) 3.152 18.334 ( 3.415 0.000 6.888) 7.688 19.057 ( -3.643 0.000 -1.641) 3.996 19.202 ( 3.335 0.000 4.262) 5.412 19.590 ( -2.663 0.000 -1.560) 3.086 19.731 ( 4.238 0.000 -3.458) 5.470 20.109 ( -0.442 0.000 -4.966) 4.986 20.182 ( 3.648 0.000 5.790) 6.843 20.343 ( -1.787 0.000 2.082) 2.744 20.349 ( -2.255 0.000 -5.281) 5.742 ======================= Grid point 113 (57/96) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -12.615 0.000 -0.758) 12.638 0.610 ( -3.383 0.000 16.434) 16.779 1.078 ( -6.919 0.000 5.538) 8.862 1.196 ( -1.739 0.000 4.130) 4.481 1.270 ( -6.728 0.000 3.024) 7.376 1.378 ( -11.053 0.000 3.857) 11.706 1.483 ( 7.492 0.000 -7.275) 10.443 1.557 ( 1.194 0.000 -2.723) 2.973 1.630 ( -7.982 0.000 1.011) 8.046 1.738 ( 1.006 0.000 -4.738) 4.844 1.834 ( -4.469 0.000 7.111) 8.399 1.911 ( -4.147 0.000 4.548) 6.155 1.940 ( 3.621 0.000 -1.746) 4.020 2.014 ( 4.631 0.000 -3.409) 5.750 2.164 ( 10.229 0.000 -5.015) 11.392 2.182 ( 2.886 0.000 -5.812) 6.489 2.312 ( -0.577 0.000 0.742) 0.940 2.351 ( -3.589 0.000 -0.735) 3.664 2.417 ( -3.598 0.000 6.355) 7.303 2.490 ( 0.251 0.000 -0.161) 0.299 2.631 ( 5.316 0.000 -3.834) 6.555 2.699 ( -1.841 0.000 7.767) 7.982 2.777 ( 1.173 0.000 1.448) 1.863 2.811 ( 1.938 0.000 2.651) 3.284 2.904 ( -2.670 0.000 -3.585) 4.470 2.960 ( 3.822 0.000 -1.052) 3.964 3.014 ( -0.108 0.000 3.975) 3.976 3.138 ( -0.828 0.000 -4.418) 4.495 3.215 ( -0.235 0.000 4.046) 4.053 3.291 ( 3.781 0.000 -9.180) 9.928 3.346 ( -2.744 0.000 1.408) 3.084 3.372 ( 1.552 0.000 0.270) 1.575 3.581 ( 3.776 0.000 -1.483) 4.057 3.605 ( -4.381 0.000 -0.872) 4.467 3.898 ( -5.578 0.000 3.285) 6.474 3.936 ( 7.478 0.000 2.988) 8.053 4.243 ( 1.435 0.000 0.430) 1.498 4.269 ( -4.129 0.000 10.436) 11.223 4.487 ( 5.733 0.000 -1.350) 5.890 4.552 ( -4.177 0.000 6.079) 7.376 4.660 ( 3.715 0.000 -5.439) 6.587 4.775 ( 7.196 0.000 -9.307) 11.764 4.921 ( -3.276 0.000 -4.941) 5.929 5.218 ( 4.358 0.000 -1.508) 4.611 5.238 ( -8.494 0.000 2.386) 8.823 5.268 ( -6.278 0.000 -2.142) 6.633 5.417 ( -2.899 0.000 -1.701) 3.361 5.594 ( -0.021 0.000 1.265) 1.265 5.771 ( -2.507 0.000 -0.158) 2.512 5.834 ( -5.345 0.000 5.999) 8.035 5.981 ( 5.731 0.000 -4.455) 7.259 6.216 ( -1.721 0.000 3.270) 3.695 6.291 ( -0.915 0.000 -1.573) 1.819 6.371 ( 0.054 0.000 -5.911) 5.912 6.484 ( -1.331 0.000 1.963) 2.372 6.879 ( 2.491 0.000 -4.645) 5.271 6.979 ( -0.836 0.000 1.289) 1.537 6.981 ( 3.409 0.000 2.110) 4.009 7.098 ( 1.423 0.000 2.841) 3.178 7.456 ( 1.590 0.000 1.616) 2.267 7.534 ( 5.178 0.000 1.507) 5.393 7.603 ( 1.150 0.000 2.725) 2.958 7.777 ( -3.831 0.000 -0.642) 3.884 7.802 ( -0.649 0.000 4.423) 4.470 7.877 ( 4.729 0.000 -6.708) 8.207 8.078 ( 2.651 0.000 1.231) 2.923 8.234 ( -4.176 0.000 3.557) 5.486 8.451 ( 1.489 0.000 0.766) 1.675 8.619 ( 1.276 0.000 1.044) 1.649 8.662 ( -0.910 0.000 2.140) 2.325 8.764 ( -6.123 0.000 7.774) 9.896 9.045 ( 1.787 0.000 -3.699) 4.108 9.285 ( 1.704 0.000 0.305) 1.731 9.410 ( 1.700 0.000 0.213) 1.714 9.562 ( 0.443 0.000 -3.119) 3.151 9.637 ( 0.835 0.000 -3.103) 3.213 9.754 ( 6.458 0.000 -6.703) 9.308 9.899 ( 5.059 0.000 -5.188) 7.246 10.186 ( 2.775 0.000 -5.661) 6.305 10.586 ( -4.076 0.000 -0.498) 4.106 10.606 ( 6.406 0.000 -5.465) 8.421 11.074 ( 3.641 0.000 -4.463) 5.760 11.408 ( 1.828 0.000 4.010) 4.407 11.448 ( 4.701 0.000 15.594) 16.287 11.744 ( -4.201 0.000 7.952) 8.993 11.867 ( 0.175 0.000 -0.074) 0.190 12.704 ( -0.922 0.000 -0.821) 1.234 13.089 ( 2.136 0.000 -1.255) 2.477 13.430 ( 3.576 0.000 -3.494) 5.000 13.466 ( 1.958 0.000 -1.891) 2.722 13.841 ( -2.071 0.000 2.674) 3.382 13.878 ( 0.078 0.000 0.228) 0.241 14.549 ( 0.682 0.000 -1.300) 1.468 14.673 ( 1.947 0.000 -3.533) 4.034 14.685 ( -2.471 0.000 -2.136) 3.266 14.855 ( 0.188 0.000 0.129) 0.228 15.315 ( -2.745 0.000 -1.108) 2.960 15.372 ( -2.736 0.000 -3.936) 4.793 15.943 ( -1.781 0.000 5.094) 5.397 16.041 ( -0.847 0.000 0.194) 0.869 16.211 ( -1.194 0.000 0.146) 1.203 16.290 ( 2.842 0.000 -2.872) 4.041 16.503 ( -7.163 0.000 6.440) 9.632 16.825 ( 4.678 0.000 -6.689) 8.163 17.084 ( 4.344 0.000 -1.351) 4.549 17.221 ( 0.213 0.000 -0.895) 0.920 17.483 ( 9.620 0.000 -10.485) 14.229 17.720 ( 1.466 0.000 1.762) 2.292 17.781 ( 3.117 0.000 -0.807) 3.219 17.863 ( 22.509 0.000 32.006) 39.128 18.158 ( 1.005 0.000 -0.485) 1.116 18.424 ( 0.070 0.000 5.150) 5.151 19.020 ( -1.095 0.000 3.707) 3.865 19.303 ( 3.678 0.000 3.781) 5.274 19.515 ( -3.775 0.000 -2.168) 4.353 19.725 ( 0.369 0.000 -10.225) 10.232 20.050 ( -1.548 0.000 -4.008) 4.296 20.247 ( -4.311 0.000 -2.384) 4.926 20.291 ( 2.895 0.000 4.343) 5.219 20.318 ( -3.368 0.000 1.830) 3.833 ======================= Grid point 114 (58/96) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 3.983 0.000 17.897) 18.335 0.747 ( 0.425 0.000 15.460) 15.466 1.026 ( -6.571 0.000 6.474) 9.224 1.192 ( -6.666 0.000 6.393) 9.237 1.206 ( -1.519 0.000 3.040) 3.398 1.258 ( -12.992 0.000 14.858) 19.737 1.485 ( -0.930 0.000 -4.063) 4.169 1.554 ( -1.422 0.000 -1.466) 2.042 1.559 ( 4.601 0.000 -8.043) 9.266 1.685 ( 0.871 0.000 -6.061) 6.123 1.788 ( -2.721 0.000 0.712) 2.813 1.901 ( -0.571 0.000 0.229) 0.615 2.021 ( 3.648 0.000 1.877) 4.102 2.046 ( 0.489 0.000 -0.830) 0.963 2.196 ( 1.063 0.000 -8.253) 8.321 2.212 ( 5.576 0.000 -7.482) 9.331 2.250 ( -6.957 0.000 2.392) 7.357 2.359 ( 2.304 0.000 1.901) 2.987 2.441 ( 0.381 0.000 5.147) 5.161 2.457 ( -0.614 0.000 -3.156) 3.215 2.648 ( 0.825 0.000 -3.031) 3.141 2.708 ( -5.899 0.000 6.180) 8.544 2.820 ( 4.944 0.000 -2.234) 5.425 2.835 ( -1.980 0.000 -1.859) 2.716 2.871 ( 2.453 0.000 1.714) 2.992 3.003 ( 3.246 0.000 -2.908) 4.358 3.052 ( 0.960 0.000 1.082) 1.447 3.094 ( -0.072 0.000 -3.489) 3.490 3.218 ( -3.097 0.000 4.215) 5.230 3.232 ( -0.603 0.000 -3.666) 3.716 3.338 ( -0.937 0.000 -1.172) 1.501 3.391 ( 1.019 0.000 -2.713) 2.898 3.581 ( 1.239 0.000 2.269) 2.585 3.610 ( 2.172 0.000 -1.066) 2.420 3.877 ( -3.012 0.000 7.735) 8.301 4.055 ( 2.387 0.000 3.572) 4.296 4.280 ( -5.832 0.000 8.791) 10.550 4.300 ( 2.996 0.000 3.816) 4.852 4.535 ( -1.550 0.000 2.005) 2.535 4.570 ( 5.264 0.000 -2.499) 5.827 4.687 ( 3.743 0.000 -3.699) 5.262 4.778 ( 1.068 0.000 -6.180) 6.271 4.879 ( 6.238 0.000 -6.531) 9.031 5.124 ( -7.451 0.000 2.843) 7.975 5.132 ( -5.715 0.000 -4.429) 7.230 5.243 ( 2.038 0.000 -4.464) 4.907 5.355 ( -2.107 0.000 -1.718) 2.719 5.579 ( -1.507 0.000 -1.859) 2.393 5.723 ( -3.278 0.000 1.017) 3.432 5.811 ( -4.660 0.000 6.512) 8.007 5.983 ( 2.452 0.000 -8.165) 8.525 6.213 ( -0.865 0.000 -0.652) 1.083 6.264 ( -0.128 0.000 -2.033) 2.037 6.291 ( -1.754 0.000 -6.989) 7.206 6.543 ( 2.962 0.000 6.031) 6.719 6.885 ( 2.727 0.000 -3.403) 4.360 6.971 ( -1.607 0.000 2.187) 2.714 7.054 ( 2.635 0.000 2.983) 3.980 7.179 ( 4.508 0.000 1.859) 4.876 7.450 ( -3.347 0.000 0.248) 3.356 7.614 ( 1.756 0.000 1.733) 2.467 7.636 ( 0.961 0.000 1.504) 1.785 7.700 ( -4.571 0.000 0.957) 4.670 7.791 ( -3.906 0.000 1.511) 4.188 7.941 ( 6.711 0.000 -1.959) 6.991 8.093 ( -2.518 0.000 1.387) 2.875 8.225 ( -0.810 0.000 3.382) 3.478 8.466 ( 1.186 0.000 -2.425) 2.700 8.630 ( -4.084 0.000 1.314) 4.290 8.642 ( 0.638 0.000 -0.330) 0.718 8.774 ( -2.334 0.000 7.698) 8.044 9.047 ( 2.489 0.000 -3.202) 4.055 9.320 ( 2.925 0.000 -0.988) 3.087 9.456 ( 3.617 0.000 0.661) 3.677 9.539 ( 1.354 0.000 -4.582) 4.778 9.611 ( -2.240 0.000 -0.075) 2.241 9.797 ( 5.372 0.000 -5.597) 7.758 9.913 ( 3.014 0.000 -5.948) 6.668 10.223 ( 8.645 0.000 -5.987) 10.516 10.515 ( -3.861 0.000 -0.140) 3.864 10.640 ( 6.071 0.000 -7.714) 9.816 10.852 ( -19.004 0.000 -13.783) 23.476 11.487 ( 2.671 0.000 4.361) 5.113 11.671 ( 2.400 0.000 7.360) 7.741 11.753 ( -4.426 0.000 8.747) 9.803 11.871 ( 0.291 0.000 0.335) 0.444 12.702 ( 0.739 0.000 0.912) 1.173 13.049 ( -3.098 0.000 -5.654) 6.447 13.454 ( 0.096 0.000 -2.052) 2.054 13.458 ( 3.407 0.000 -3.202) 4.676 13.837 ( -2.193 0.000 4.243) 4.777 13.885 ( 0.413 0.000 0.311) 0.517 14.566 ( 2.395 0.000 -0.336) 2.419 14.640 ( -1.268 0.000 -0.824) 1.512 14.669 ( 1.783 0.000 -3.636) 4.050 14.848 ( -0.292 0.000 -1.848) 1.871 15.275 ( -1.189 0.000 -0.002) 1.189 15.321 ( -0.429 0.000 -0.976) 1.066 15.956 ( -2.184 0.000 4.695) 5.178 16.019 ( -2.613 0.000 1.557) 3.042 16.203 ( 1.151 0.000 -1.606) 1.976 16.295 ( 2.914 0.000 -5.579) 6.295 16.447 ( -6.957 0.000 6.704) 9.661 16.825 ( 4.107 0.000 -8.701) 9.622 17.138 ( 1.909 0.000 0.897) 2.109 17.220 ( 0.404 0.000 -0.609) 0.731 17.601 ( 13.801 0.000 -5.737) 14.946 17.752 ( 1.002 0.000 1.078) 1.471 17.825 ( 3.661 0.000 -1.482) 3.950 18.200 ( 2.408 0.000 2.622) 3.560 18.269 ( -6.737 0.000 -1.221) 6.847 18.564 ( 13.026 0.000 1.538) 13.117 19.138 ( 7.343 0.000 10.526) 12.835 19.374 ( 0.253 0.000 1.102) 1.131 19.442 ( -1.248 0.000 -1.233) 1.755 19.458 ( -15.967 0.000 -9.156) 18.405 20.038 ( 3.945 0.000 0.740) 4.014 20.217 ( 0.027 0.000 3.262) 3.262 20.253 ( -5.179 0.000 0.560) 5.210 20.362 ( 1.020 0.000 2.723) 2.907 ======================= Grid point 115 (59/96) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 4.027 -3.041 17.230) 17.954 0.910 ( -3.921 -1.543 13.366) 14.014 0.965 ( -8.224 -0.201 7.297) 10.996 1.142 ( -4.414 -4.939 6.770) 9.472 1.231 ( -1.634 3.100 7.998) 8.732 1.357 ( -2.215 0.490 -0.057) 2.269 1.430 ( -1.551 2.668 -1.568) 3.462 1.521 ( 2.253 -2.413 -6.726) 7.492 1.561 ( 2.052 1.256 -2.315) 3.338 1.667 ( 3.680 -0.671 -2.224) 4.352 1.833 ( -2.004 -4.683 -5.029) 7.158 1.881 ( 1.383 0.413 -0.314) 1.478 1.898 ( -2.369 -0.938 -8.001) 8.397 1.977 ( 1.027 -1.951 -6.330) 6.703 2.081 ( 2.071 1.018 0.833) 2.453 2.157 ( 1.087 -1.734 -7.451) 7.727 2.273 ( -6.281 6.211 6.819) 11.159 2.404 ( -2.704 2.696 6.317) 7.381 2.512 ( 5.323 3.079 -2.423) 6.609 2.571 ( 1.516 2.190 0.772) 2.773 2.622 ( 2.935 -0.036 -0.287) 2.949 2.708 ( -2.208 -1.331 6.759) 7.234 2.776 ( -4.343 4.788 -1.568) 6.651 2.878 ( -0.665 -1.633 2.008) 2.672 2.960 ( -0.180 -0.055 0.988) 1.006 3.023 ( 4.096 3.519 -2.187) 5.826 3.038 ( 3.170 1.181 -6.036) 6.919 3.152 ( -1.642 2.746 -0.650) 3.265 3.201 ( -0.860 1.089 0.964) 1.690 3.237 ( -3.305 -2.483 -1.702) 4.471 3.310 ( 0.676 0.093 2.217) 2.319 3.392 ( 1.480 2.422 -1.504) 3.212 3.595 ( 2.227 2.933 -2.397) 4.394 3.722 ( 1.565 2.509 2.115) 3.636 3.944 ( -4.478 -4.202 5.852) 8.482 4.002 ( -4.389 -2.212 7.796) 9.217 4.110 ( 0.345 -6.219 3.366) 7.080 4.335 ( 3.552 -7.877 2.582) 9.018 4.547 ( -0.415 -1.604 -4.982) 5.250 4.573 ( 2.843 -2.921 -6.500) 7.672 4.692 ( -2.299 4.145 2.604) 5.408 4.831 ( 2.301 4.371 0.334) 4.951 4.944 ( 0.423 -2.482 0.108) 2.520 4.993 ( 3.130 1.871 -7.273) 8.136 5.069 ( 0.294 -2.822 2.238) 3.614 5.204 ( -1.409 3.859 -3.714) 5.538 5.262 ( -1.193 -7.309 -0.459) 7.420 5.459 ( -0.934 -3.490 -1.412) 3.879 5.662 ( -0.595 -0.537 -0.578) 0.989 5.766 ( -2.116 -1.678 -3.183) 4.175 6.120 ( -2.128 8.233 1.735) 8.679 6.165 ( 0.233 -0.262 -2.228) 2.256 6.221 ( -1.068 1.887 -1.456) 2.612 6.341 ( 0.316 8.918 -5.410) 10.436 6.519 ( -4.336 -4.761 9.141) 11.181 6.815 ( 1.190 -7.303 -0.393) 7.410 7.064 ( 3.846 5.351 -0.026) 6.590 7.162 ( -1.035 2.155 -0.066) 2.391 7.325 ( 4.580 4.465 -1.898) 6.672 7.393 ( -2.726 2.491 -0.970) 3.818 7.548 ( -2.286 -5.671 2.443) 6.584 7.569 ( -3.036 -3.461 2.196) 5.100 7.713 ( -0.325 1.112 2.163) 2.454 7.768 ( -2.262 0.562 0.447) 2.373 7.940 ( -1.696 -4.822 2.646) 5.756 8.013 ( -2.120 -3.990 1.654) 4.812 8.225 ( -1.098 2.198 3.023) 3.896 8.378 ( -0.193 -2.096 -2.758) 3.470 8.670 ( -2.268 4.475 3.299) 6.004 8.750 ( -0.731 3.283 0.221) 3.370 8.911 ( -2.716 10.533 2.151) 11.088 9.080 ( 2.774 2.136 -1.057) 3.657 9.295 ( 4.350 -4.886 -1.963) 6.830 9.403 ( -6.264 -9.364 1.079) 11.317 9.573 ( 0.811 0.437 -1.131) 1.459 9.612 ( -0.518 2.771 4.938) 5.686 9.783 ( 6.651 -0.363 -9.313) 11.450 9.904 ( 0.609 0.270 -6.268) 6.303 10.061 ( -22.033 -7.988 5.391) 24.048 10.219 ( 4.868 -9.430 0.448) 10.621 10.497 ( 2.670 1.817 -4.153) 5.261 10.609 ( 4.664 -3.359 -5.844) 8.197 11.593 ( -1.596 0.282 6.453) 6.653 11.629 ( 0.502 -0.676 5.256) 5.323 12.040 ( 1.657 13.229 2.197) 13.512 12.254 ( -3.455 27.696 -10.694) 29.889 12.632 ( 1.445 -9.215 3.434) 9.940 12.909 ( -1.212 -3.730 -8.034) 8.940 13.459 ( -0.741 2.020 -0.981) 2.365 13.512 ( 1.777 1.648 -2.828) 3.725 13.835 ( -3.287 0.320 3.449) 4.775 13.882 ( -0.308 -1.147 1.135) 1.643 14.613 ( 2.520 0.483 -2.975) 3.929 14.636 ( 0.491 0.257 1.957) 2.034 14.656 ( 2.735 -0.857 -3.584) 4.589 14.764 ( -0.842 -3.767 -2.710) 4.717 15.287 ( 0.870 1.012 0.043) 1.335 15.321 ( 1.062 -0.021 -1.426) 1.778 15.926 ( -3.473 -1.321 3.715) 5.255 15.996 ( 0.179 -1.560 1.217) 1.987 16.200 ( -1.332 -0.867 0.145) 1.596 16.241 ( -0.763 -2.330 -1.395) 2.821 16.453 ( -0.930 3.669 2.972) 4.812 16.713 ( 3.097 -6.712 -5.721) 9.348 17.175 ( 0.316 0.782 0.925) 1.252 17.212 ( 0.018 -0.479 -0.690) 0.840 17.720 ( -3.600 -0.514 -0.515) 3.673 17.766 ( 1.718 -1.365 -1.033) 2.426 17.875 ( -10.188 0.385 0.429) 10.205 17.950 ( 2.605 -0.068 -3.321) 4.221 18.285 ( -0.978 1.369 3.692) 4.057 18.416 ( -7.247 -5.564 -2.271) 9.415 19.216 ( -2.508 1.941 4.418) 5.439 19.307 ( -1.446 -1.575 -0.383) 2.172 19.501 ( 3.602 4.280 0.709) 5.639 19.545 ( 3.790 3.760 -1.282) 5.490 20.150 ( 0.620 0.551 1.687) 1.880 20.201 ( 1.128 0.371 0.304) 1.226 20.280 ( 1.041 0.948 3.085) 3.391 20.366 ( -0.383 -1.236 0.237) 1.315 ======================= Grid point 116 (60/96) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -6.560 -0.892 6.895) 9.558 0.911 ( -2.173 -1.666 11.104) 11.437 0.992 ( -4.100 -3.145 13.971) 14.896 1.185 ( 1.370 -5.602 6.691) 8.833 1.252 ( -3.715 2.195 -0.914) 4.411 1.324 ( 0.126 0.128 0.800) 0.820 1.384 ( -0.762 -0.355 -2.460) 2.600 1.482 ( 0.116 -4.521 0.698) 4.576 1.595 ( 2.941 -1.748 -1.538) 3.751 1.708 ( 0.466 -4.956 -3.627) 6.159 1.771 ( 5.329 3.457 -2.225) 6.730 1.798 ( -0.402 2.017 -7.917) 8.180 1.939 ( 1.594 -2.726 -0.143) 3.160 1.980 ( 6.073 -2.411 -3.601) 7.461 2.058 ( -1.585 1.181 -3.961) 4.427 2.121 ( 2.046 -2.285 -5.034) 5.895 2.291 ( -2.563 10.040 9.382) 13.978 2.422 ( -2.229 1.151 4.319) 4.995 2.508 ( -0.286 3.779 -3.477) 5.143 2.600 ( 1.179 -1.050 -0.203) 1.592 2.658 ( -3.067 7.970 1.414) 8.656 2.691 ( -1.207 -0.844 2.824) 3.185 2.765 ( 0.894 0.400 5.527) 5.613 2.896 ( 0.892 -1.129 0.593) 1.556 2.965 ( -1.179 2.878 2.155) 3.784 3.036 ( 3.931 1.690 -6.978) 8.186 3.051 ( 2.168 2.297 -2.574) 4.075 3.107 ( -2.394 2.647 -0.915) 3.684 3.152 ( -3.546 -2.766 0.186) 4.501 3.203 ( -0.962 0.542 0.862) 1.401 3.340 ( 0.529 4.225 -0.444) 4.281 3.415 ( 3.381 1.668 -2.072) 4.302 3.639 ( 3.284 -1.202 0.801) 3.588 3.734 ( 0.280 -2.352 -3.046) 3.859 3.879 ( -7.246 -6.589 5.998) 11.485 4.054 ( -2.116 2.797 9.202) 9.848 4.133 ( -1.375 -3.627 3.841) 5.459 4.412 ( 2.757 -7.546 1.373) 8.150 4.486 ( -0.287 -1.043 -5.165) 5.277 4.557 ( 4.375 -8.142 -8.230) 12.376 4.663 ( -4.202 8.204 2.993) 9.691 4.897 ( 4.029 4.052 1.274) 5.854 4.933 ( 0.142 0.233 -0.203) 0.340 5.015 ( 6.198 -1.269 -7.835) 10.071 5.104 ( 1.402 0.469 1.235) 1.926 5.148 ( -0.117 2.503 -4.090) 4.796 5.291 ( 0.817 -6.046 5.962) 8.530 5.426 ( 0.251 -3.634 -4.256) 5.602 5.651 ( -1.318 -1.822 1.439) 2.669 5.704 ( -2.270 -2.248 -1.093) 3.377 6.107 ( -2.272 7.316 3.497) 8.422 6.150 ( 0.211 2.033 -1.460) 2.512 6.199 ( -0.405 2.484 -0.395) 2.548 6.303 ( 0.656 7.698 -4.291) 8.837 6.517 ( -6.027 -4.775 8.710) 11.619 6.833 ( 1.587 -6.757 -0.989) 7.011 7.046 ( -4.261 1.955 -1.574) 4.945 7.151 ( -0.637 0.099 -1.016) 1.203 7.302 ( -3.923 3.982 -1.486) 5.784 7.379 ( 0.400 2.377 -0.198) 2.419 7.530 ( 0.184 -0.852 1.958) 2.143 7.602 ( 1.069 -1.142 4.479) 4.744 7.739 ( 0.291 1.681 2.238) 2.814 7.746 ( -1.939 2.193 1.992) 3.541 7.919 ( -2.917 -4.934 1.859) 6.026 8.005 ( -1.380 -4.394 2.872) 5.428 8.231 ( -1.264 0.295 2.108) 2.475 8.338 ( -1.575 -1.275 -2.242) 3.022 8.653 ( -3.162 5.014 3.425) 6.846 8.734 ( -1.691 4.312 0.150) 4.634 8.856 ( -7.002 8.169 3.551) 11.330 9.116 ( 2.956 2.826 -1.989) 4.547 9.277 ( -8.754 -9.763 2.394) 13.329 9.343 ( 1.228 -4.672 -0.128) 4.832 9.581 ( 0.691 -0.811 -0.465) 1.162 9.618 ( -4.215 2.125 3.838) 6.084 9.753 ( -8.824 1.275 3.699) 9.652 9.824 ( 3.589 2.897 -5.312) 7.035 9.908 ( 2.336 0.404 -7.097) 7.482 10.269 ( -0.612 -8.818 2.807) 9.274 10.571 ( 8.879 -0.150 -2.179) 9.144 10.671 ( 8.043 -4.792 -4.545) 10.407 11.608 ( -2.192 0.595 3.655) 4.303 11.678 ( 0.149 -1.980 3.474) 4.002 12.088 ( -0.934 20.228 0.401) 20.253 12.099 ( -3.382 19.290 -1.929) 19.679 12.689 ( 0.509 -9.448 3.528) 10.098 12.826 ( 0.327 -5.017 -6.580) 8.281 13.433 ( -1.369 1.370 -0.798) 2.095 13.503 ( 0.325 0.604 -2.416) 2.511 13.812 ( -3.303 0.905 3.701) 5.043 13.887 ( -0.819 -1.262 1.642) 2.227 14.609 ( 0.478 -0.278 -1.828) 1.910 14.640 ( 1.315 -1.415 -3.851) 4.309 14.716 ( 4.226 -0.563 0.821) 4.341 14.728 ( 0.405 -1.382 -2.690) 3.052 15.306 ( 1.399 0.517 -0.399) 1.545 15.321 ( 1.243 0.133 -2.316) 2.632 15.912 ( -2.404 -1.563 3.561) 4.572 16.025 ( 1.439 -1.908 1.765) 2.971 16.164 ( -3.157 -2.781 1.295) 4.402 16.231 ( 0.005 -2.093 -0.156) 2.099 16.465 ( -0.223 4.538 1.495) 4.783 16.706 ( 1.995 -3.721 -4.467) 6.146 17.185 ( -0.064 0.433 0.801) 0.913 17.196 ( -1.193 0.279 -1.136) 1.671 17.403 ( -24.706 7.748 5.024) 26.376 17.764 ( -1.064 -1.573 -0.411) 1.943 17.801 ( -0.946 -0.254 -0.229) 1.006 18.017 ( -1.792 -11.782 -0.013) 11.918 18.315 ( 0.187 1.180 3.662) 3.852 18.330 ( -1.983 0.778 3.556) 4.145 19.261 ( 2.237 0.155 4.209) 4.769 19.291 ( -0.293 -0.115 1.110) 1.154 19.530 ( 0.894 4.350 -2.280) 4.992 19.576 ( 2.224 3.019 -3.769) 5.316 20.084 ( -5.046 2.853 0.254) 5.802 20.265 ( 0.929 -4.388 0.001) 4.485 20.331 ( 3.022 1.271 1.207) 3.493 20.386 ( 2.982 -0.050 -0.269) 2.994 ======================= Grid point 117 (61/96) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -3.146 -0.876 2.010) 3.835 0.945 ( -4.733 -3.255 8.833) 10.536 1.037 ( -3.143 0.515 4.373) 5.410 1.135 ( -2.633 4.497 -1.239) 5.356 1.241 ( -2.000 -3.669 2.203) 4.724 1.354 ( -0.566 2.262 -0.546) 2.395 1.368 ( 2.226 -4.968 3.845) 6.665 1.530 ( 1.697 -3.595 -0.791) 4.053 1.633 ( 1.497 3.208 -0.426) 3.566 1.710 ( 3.476 1.281 0.767) 3.783 1.783 ( 5.055 -0.067 -1.773) 5.357 1.869 ( 2.701 -0.181 4.475) 5.230 1.934 ( 2.679 -0.478 -3.879) 4.738 2.024 ( -0.722 0.622 0.585) 1.118 2.039 ( 4.532 -0.727 -5.769) 7.372 2.140 ( 6.091 -5.730 -2.984) 8.879 2.274 ( -4.737 3.893 -1.385) 6.286 2.414 ( -2.321 2.342 3.224) 4.611 2.496 ( -0.677 0.068 1.054) 1.255 2.580 ( -4.739 5.292 0.861) 7.156 2.596 ( -0.017 -4.073 -2.338) 4.697 2.763 ( 0.459 3.030 7.919) 8.491 2.821 ( -0.332 -0.593 3.548) 3.613 2.896 ( -0.380 0.180 -1.457) 1.516 2.956 ( -2.837 1.578 1.527) 3.588 3.006 ( -2.251 3.451 -2.648) 4.898 3.054 ( 1.139 -0.490 -1.776) 2.166 3.102 ( 1.730 0.913 0.938) 2.170 3.143 ( 3.162 0.937 -0.066) 3.299 3.199 ( -0.664 0.987 1.605) 1.998 3.317 ( -0.700 4.725 -3.351) 5.834 3.458 ( 4.505 2.419 -2.864) 5.861 3.691 ( 2.327 -1.076 -0.940) 2.731 3.707 ( 0.748 -3.721 -2.549) 4.572 3.825 ( -5.842 -1.636 4.945) 7.827 4.064 ( -2.229 0.918 1.132) 2.663 4.152 ( -3.480 -0.932 7.567) 8.381 4.406 ( 0.941 -4.554 -7.481) 8.808 4.470 ( -0.248 -0.403 0.535) 0.714 4.587 ( 6.996 -12.658 -5.195) 15.367 4.612 ( -5.513 13.207 3.887) 14.830 4.955 ( 3.573 1.059 -2.720) 4.613 4.980 ( 3.726 2.011 2.468) 4.901 5.029 ( 4.819 -0.421 -8.505) 9.784 5.126 ( 1.396 0.690 -1.313) 2.037 5.163 ( 1.461 0.274 5.769) 5.958 5.344 ( -1.021 -1.738 1.030) 2.264 5.414 ( 3.023 -5.492 -0.750) 6.314 5.649 ( -2.231 -4.833 4.891) 7.228 5.675 ( -1.263 -3.484 0.626) 3.758 6.113 ( -1.665 5.730 4.632) 7.554 6.148 ( 0.210 4.262 0.361) 4.282 6.198 ( -0.435 3.066 1.648) 3.508 6.278 ( 1.129 4.590 -4.062) 6.232 6.494 ( -5.594 -3.257 7.212) 9.691 6.843 ( 0.981 -7.072 -1.631) 7.324 6.949 ( -3.945 1.840 -3.024) 5.300 7.091 ( -6.068 -4.374 1.664) 7.663 7.233 ( -2.079 5.232 -2.065) 5.997 7.363 ( -2.478 0.881 1.173) 2.880 7.577 ( 3.135 4.000 -0.089) 5.083 7.654 ( -1.458 3.636 4.413) 5.901 7.716 ( -3.317 3.063 3.319) 5.603 7.776 ( 1.737 1.514 0.571) 2.374 7.899 ( -1.478 -3.762 2.145) 4.576 8.022 ( -0.184 -5.113 2.911) 5.886 8.223 ( -1.828 -1.066 1.866) 2.821 8.292 ( -2.228 0.120 -0.214) 2.242 8.638 ( -2.342 3.711 3.072) 5.357 8.691 ( -4.118 7.887 1.467) 9.018 8.774 ( -7.003 2.610 5.482) 9.268 9.116 ( 0.610 0.052 -5.372) 5.407 9.190 ( -7.119 -5.873 8.929) 12.841 9.348 ( 0.551 -3.761 -2.005) 4.297 9.550 ( -4.498 2.548 4.927) 7.141 9.624 ( 4.548 2.528 -5.256) 7.396 9.713 ( -2.997 -1.654 6.392) 7.251 9.806 ( 0.038 -0.475 -4.764) 4.788 9.919 ( 6.571 2.726 -8.159) 10.825 10.272 ( -1.364 -7.480 1.916) 7.841 10.704 ( 6.550 -1.329 1.355) 6.819 10.772 ( 8.599 -4.217 -4.268) 10.486 11.595 ( -1.619 1.143 0.425) 2.027 11.694 ( -1.001 -3.221 1.094) 3.546 11.996 ( -3.344 20.381 -0.876) 20.672 12.125 ( -0.915 15.354 2.674) 15.612 12.685 ( -1.137 -8.838 -2.169) 9.171 12.819 ( 1.665 -8.802 0.171) 8.959 13.400 ( -1.769 1.754 -0.460) 2.534 13.485 ( 0.079 -0.454 -1.736) 1.796 13.800 ( -2.635 1.954 4.215) 5.341 13.885 ( -1.447 -0.862 1.937) 2.567 14.598 ( 0.143 -1.417 -1.602) 2.144 14.616 ( 0.843 -1.856 -4.101) 4.580 14.726 ( 2.183 1.270 -2.349) 3.449 14.794 ( 3.917 -1.244 0.425) 4.131 15.323 ( 1.887 0.169 -1.901) 2.684 15.328 ( 1.927 0.065 -1.094) 2.217 15.909 ( -2.163 -1.229 3.446) 4.250 16.071 ( 1.730 -3.886 1.601) 4.545 16.137 ( -1.906 -2.299 2.724) 4.042 16.233 ( -0.215 -2.463 0.903) 2.632 16.472 ( 0.101 4.116 -0.119) 4.119 16.699 ( 0.630 0.556 -1.014) 1.317 17.062 ( -15.237 7.158 3.319) 17.158 17.189 ( -0.385 0.361 0.624) 0.817 17.210 ( -3.348 0.931 2.450) 4.252 17.719 ( -4.331 -4.108 -0.268) 5.976 17.770 ( -1.960 -0.044 -0.687) 2.077 17.929 ( -6.637 -13.372 2.287) 15.103 18.312 ( -3.772 3.465 1.988) 5.494 18.390 ( 1.089 -0.105 4.617) 4.745 19.298 ( -1.656 1.345 1.010) 2.360 19.342 ( 2.599 -1.456 2.548) 3.920 19.500 ( -0.072 3.905 -3.103) 4.988 19.556 ( 0.177 2.587 -3.461) 4.324 20.031 ( -1.367 3.617 0.566) 3.908 20.248 ( -0.844 -4.523 -1.034) 4.716 20.397 ( 2.859 1.247 0.448) 3.151 20.426 ( 2.734 0.231 -1.771) 3.266 ======================= Grid point 118 (62/96) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 1.109 0.518 -0.118) 1.230 0.949 ( 0.349 -0.163 -0.359) 0.526 1.003 ( -2.560 1.983 4.761) 5.758 1.133 ( -2.480 2.982 4.555) 5.982 1.231 ( -2.037 -2.616 3.550) 4.858 1.349 ( -0.031 2.053 1.093) 2.326 1.442 ( 2.571 -4.219 1.999) 5.330 1.539 ( 0.850 -1.484 0.957) 1.960 1.648 ( 4.178 2.630 -5.724) 7.559 1.779 ( 1.744 5.604 3.695) 6.936 1.862 ( 2.614 2.947 0.457) 3.966 1.893 ( -1.116 0.495 -0.882) 1.506 1.997 ( -0.006 0.571 5.024) 5.057 2.057 ( 7.400 -1.509 -1.059) 7.626 2.070 ( 4.019 -0.865 -1.928) 4.540 2.164 ( -2.197 0.270 -5.278) 5.723 2.242 ( 5.791 -3.542 1.090) 6.875 2.394 ( -1.559 0.736 0.240) 1.741 2.477 ( -3.141 -1.998 0.993) 3.853 2.523 ( -4.812 3.245 4.859) 7.570 2.580 ( 1.799 -3.676 -4.723) 6.249 2.797 ( -3.299 -0.438 4.115) 5.292 2.812 ( -2.713 1.053 -0.336) 2.929 2.867 ( -2.747 -0.997 -1.471) 3.271 2.895 ( -3.509 3.558 0.660) 5.041 2.976 ( 0.086 -0.156 0.117) 0.213 3.067 ( 0.545 -1.771 0.843) 2.036 3.124 ( 0.236 -4.190 0.819) 4.276 3.154 ( -1.816 1.579 -0.799) 2.536 3.260 ( 1.765 0.486 -3.177) 3.666 3.287 ( 4.471 7.907 0.052) 9.084 3.505 ( 3.690 2.282 -2.565) 5.041 3.687 ( -0.444 -1.757 -3.251) 3.722 3.718 ( 3.035 0.174 -2.062) 3.673 3.772 ( -4.935 3.030 2.566) 6.334 4.031 ( -1.174 -1.391 -1.572) 2.406 4.139 ( -4.625 -0.623 4.335) 6.369 4.361 ( 1.218 -3.629 -4.451) 5.871 4.454 ( -0.890 1.931 -1.173) 2.428 4.553 ( -5.554 14.836 4.125) 16.370 4.672 ( 6.291 -9.624 -2.731) 11.817 4.978 ( 4.339 1.461 -6.333) 7.815 5.026 ( 3.837 0.861 -5.886) 7.079 5.086 ( 4.306 0.535 4.248) 6.073 5.129 ( 0.443 -1.563 -0.786) 1.805 5.274 ( 1.552 -2.703 9.276) 9.785 5.319 ( -0.262 1.581 -0.040) 1.603 5.471 ( 1.903 -5.898 1.723) 6.433 5.663 ( -1.843 -3.840 2.356) 4.868 5.669 ( -1.804 -6.944 5.338) 8.942 6.134 ( -1.426 4.609 4.409) 6.536 6.161 ( -0.143 4.589 2.406) 5.184 6.214 ( -0.518 2.320 3.263) 4.037 6.267 ( 2.407 1.992 -4.062) 5.125 6.474 ( -4.037 -2.260 5.635) 7.291 6.828 ( -0.634 -8.529 -2.364) 8.873 6.871 ( -2.187 3.663 -1.964) 4.697 7.010 ( -5.396 -5.092 2.463) 7.817 7.197 ( 0.018 4.806 -1.553) 5.051 7.331 ( -2.501 1.626 1.026) 3.155 7.590 ( -2.591 5.725 1.029) 6.368 7.634 ( -3.808 7.395 3.151) 8.895 7.719 ( 0.217 1.326 1.649) 2.127 7.807 ( 1.308 1.773 0.356) 2.232 7.905 ( -0.136 -1.794 1.354) 2.252 8.032 ( -0.635 -5.465 -0.338) 5.512 8.222 ( -1.044 0.264 3.880) 4.027 8.268 ( -2.204 1.319 3.055) 3.992 8.631 ( -1.216 0.800 1.162) 1.863 8.643 ( -3.533 6.562 2.815) 7.967 8.737 ( -4.642 1.315 7.138) 8.616 9.071 ( 0.065 -3.315 -3.492) 4.815 9.174 ( -5.222 -2.516 7.709) 9.645 9.323 ( -1.437 -3.818 -1.665) 4.406 9.555 ( -0.584 4.368 4.725) 6.461 9.640 ( 4.273 1.152 -6.510) 7.871 9.749 ( -0.104 -1.568 0.095) 1.574 9.766 ( 0.499 -2.737 1.929) 3.385 9.940 ( 4.605 3.353 -7.689) 9.569 10.263 ( -1.689 -6.914 1.471) 7.267 10.799 ( 2.645 -0.789 2.206) 3.533 10.862 ( 7.041 -3.267 -4.794) 9.123 11.563 ( -1.088 1.098 -2.512) 2.949 11.664 ( -2.132 -3.064 -1.814) 4.150 11.958 ( -1.599 16.885 0.907) 16.985 12.108 ( -2.586 15.961 0.330) 16.173 12.652 ( 0.544 -9.692 -2.632) 10.058 12.840 ( -0.513 -11.249 1.066) 11.311 13.372 ( -1.172 2.537 0.109) 2.797 13.472 ( 0.081 -0.856 -1.453) 1.688 13.802 ( -2.291 2.540 4.615) 5.745 13.880 ( -1.281 -0.383 2.104) 2.493 14.587 ( 0.672 -1.876 -1.619) 2.568 14.601 ( 1.448 -1.876 -3.032) 3.848 14.746 ( 2.459 2.382 -1.884) 3.908 14.850 ( 2.690 -1.608 -0.589) 3.188 15.347 ( 2.775 0.049 -1.067) 2.973 15.359 ( 2.493 -0.318 -0.344) 2.537 15.901 ( -2.571 0.114 3.358) 4.231 16.106 ( 0.722 -5.757 1.712) 6.049 16.152 ( 0.358 -1.103 2.071) 2.373 16.241 ( -0.496 -3.409 1.979) 3.973 16.457 ( -1.326 3.748 -1.124) 4.131 16.719 ( 1.358 1.925 1.741) 2.929 16.876 ( -10.831 6.489 3.920) 13.220 17.187 ( -0.522 0.570 0.817) 1.125 17.203 ( -0.756 -0.148 1.949) 2.096 17.624 ( -6.762 -8.846 1.629) 11.253 17.735 ( -1.396 0.705 -0.580) 1.668 17.878 ( -2.932 -9.461 3.484) 10.499 18.230 ( -6.097 6.923 -2.066) 9.454 18.411 ( -2.205 -1.522 1.823) 3.241 19.222 ( -4.048 2.902 -4.456) 6.683 19.358 ( -0.906 -3.376 -3.022) 4.621 19.514 ( 2.243 2.514 1.609) 3.733 19.551 ( 0.816 2.819 2.020) 3.563 20.037 ( 0.713 3.188 0.580) 3.318 20.233 ( 0.229 -4.037 -1.039) 4.175 20.411 ( 0.021 1.859 -1.977) 2.714 20.454 ( 2.517 -0.071 -1.885) 3.145 ======================= Grid point 119 (63/96) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.842 2.654 2.049) 3.457 0.963 ( 3.451 3.685 -2.499) 5.634 1.050 ( 0.907 -0.901 5.934) 6.070 1.125 ( -3.354 2.269 4.545) 6.088 1.231 ( -1.912 -1.051 3.515) 4.137 1.376 ( 1.973 -0.079 0.458) 2.027 1.486 ( 2.504 -0.600 -0.785) 2.692 1.589 ( 2.832 -2.468 0.852) 3.852 1.661 ( 1.594 2.717 -0.530) 3.194 1.786 ( -4.837 4.655 -0.816) 6.762 1.863 ( 0.650 6.003 3.320) 6.890 1.924 ( 3.067 -0.596 1.390) 3.419 2.025 ( -4.738 -1.715 -1.105) 5.159 2.064 ( 5.634 0.206 -1.838) 5.929 2.126 ( 4.936 0.103 -3.625) 6.125 2.228 ( 4.651 0.470 4.046) 6.182 2.335 ( 2.734 0.370 2.585) 3.780 2.398 ( 2.774 -0.816 -1.012) 3.064 2.420 ( -4.006 0.688 1.461) 4.319 2.506 ( -3.485 2.635 4.793) 6.485 2.557 ( 1.371 -3.583 -6.053) 7.166 2.734 ( -4.678 0.310 -1.988) 5.093 2.766 ( -3.426 -0.336 2.528) 4.271 2.808 ( -1.981 0.374 -0.433) 2.062 2.849 ( -2.775 2.107 0.430) 3.511 2.951 ( -4.137 -2.221 -0.917) 4.784 3.071 ( 0.546 1.166 -2.607) 2.908 3.120 ( -2.942 -6.054 4.121) 7.892 3.135 ( 1.499 -2.857 -0.946) 3.362 3.235 ( 0.444 -1.016 -2.936) 3.138 3.372 ( 5.022 3.936 -2.132) 6.728 3.507 ( -0.279 -0.382 -3.991) 4.019 3.619 ( -2.064 4.552 -4.895) 6.996 3.687 ( -4.342 4.095 -2.358) 6.417 3.791 ( 5.202 1.205 0.543) 5.367 3.978 ( -2.937 -4.694 -2.491) 6.072 4.123 ( -1.737 0.280 4.645) 4.967 4.354 ( -0.479 -2.688 -0.145) 2.735 4.437 ( 0.004 4.261 -0.125) 4.263 4.517 ( -3.131 14.341 4.426) 15.331 4.724 ( 4.122 -6.253 -4.759) 8.873 4.975 ( 3.773 2.638 -8.715) 9.856 5.041 ( 1.822 1.171 -1.590) 2.687 5.107 ( 1.306 1.302 -2.664) 3.240 5.226 ( 3.454 -3.160 7.358) 8.721 5.316 ( 0.056 1.099 3.210) 3.394 5.396 ( 0.362 -5.010 8.085) 9.518 5.501 ( 0.508 -4.852 0.805) 4.944 5.652 ( -1.859 -4.688 2.212) 5.507 5.685 ( -2.343 -5.529 4.570) 7.546 6.142 ( -1.838 5.022 3.328) 6.299 6.192 ( -0.355 0.826 4.535) 4.623 6.245 ( 0.646 0.630 2.983) 3.117 6.279 ( 3.390 1.701 -3.696) 5.296 6.469 ( -2.603 -2.624 4.805) 6.062 6.779 ( -1.850 -9.008 -3.123) 9.712 6.845 ( -0.097 4.641 0.522) 4.671 6.964 ( -2.263 -3.730 0.984) 4.473 7.209 ( 2.529 4.024 -0.256) 4.760 7.301 ( -2.352 2.588 1.106) 3.668 7.544 ( -4.323 7.551 2.737) 9.121 7.593 ( -3.982 7.416 1.976) 8.646 7.740 ( 1.585 -0.408 -0.477) 1.705 7.817 ( -0.952 2.213 0.661) 2.498 7.919 ( 1.444 0.438 -0.504) 1.591 7.999 ( -0.808 -3.712 -3.028) 4.858 8.259 ( -0.473 1.205 5.492) 5.642 8.272 ( -2.415 1.796 6.002) 6.714 8.606 ( -2.067 0.373 0.707) 2.217 8.638 ( -0.570 1.521 1.693) 2.347 8.750 ( -3.065 1.351 8.457) 9.096 9.057 ( 2.178 -3.206 -3.523) 5.238 9.161 ( -5.212 -2.621 8.171) 10.040 9.273 ( -3.107 -3.834 -0.438) 4.954 9.608 ( 1.857 4.667 2.944) 5.822 9.651 ( 3.862 0.604 -5.082) 6.411 9.717 ( 2.155 -2.186 -6.367) 7.068 9.850 ( 0.889 -3.364 9.238) 9.871 9.923 ( 2.543 4.038 -8.073) 9.378 10.243 ( -2.634 -6.599 1.936) 7.365 10.836 ( -0.002 0.260 1.060) 1.091 10.909 ( 4.716 -2.412 -5.829) 7.876 11.507 ( -1.568 0.697 -4.632) 4.939 11.594 ( -2.565 -1.606 -4.176) 5.157 11.952 ( -0.627 15.823 1.462) 15.903 12.058 ( -2.384 15.406 -1.301) 15.644 12.661 ( 2.668 -10.855 -1.019) 11.224 12.818 ( -2.175 -12.487 -0.681) 12.694 13.364 ( -0.187 3.005 0.445) 3.043 13.458 ( 0.177 -0.322 -1.810) 1.847 13.810 ( -2.190 2.552 4.742) 5.813 13.882 ( -0.971 -0.213 2.078) 2.304 14.591 ( 1.083 -1.755 -1.017) 2.299 14.603 ( 2.153 -1.767 -2.799) 3.948 14.770 ( 2.003 2.156 -0.978) 3.101 14.872 ( 1.227 -1.697 -1.477) 2.562 15.392 ( 3.072 -0.431 -0.010) 3.102 15.401 ( 2.385 -0.562 0.288) 2.467 15.894 ( -2.150 1.868 3.763) 4.720 16.123 ( 0.148 -1.888 -0.416) 1.939 16.173 ( -0.410 -3.006 2.057) 3.666 16.256 ( -0.338 -6.955 2.924) 7.552 16.407 ( -3.526 4.472 -0.218) 5.699 16.725 ( -0.254 -10.686 -5.880) 12.200 16.829 ( -2.477 16.910 12.752) 21.323 17.191 ( -0.104 0.975 1.133) 1.498 17.214 ( -0.358 -0.381 2.185) 2.247 17.546 ( -4.546 -9.504 2.057) 10.735 17.714 ( -0.697 1.395 -0.104) 1.563 17.891 ( -0.659 -8.664 5.438) 10.250 18.077 ( -5.944 10.835 -7.646) 14.532 18.363 ( -3.382 -2.340 -1.408) 4.347 19.130 ( -1.981 2.445 -3.309) 4.566 19.284 ( -1.989 -4.340 -5.742) 7.468 19.579 ( 2.318 2.863 3.393) 5.008 19.603 ( 1.542 2.332 3.535) 4.507 20.049 ( 0.125 2.690 0.347) 2.715 20.226 ( -0.076 -4.196 -1.577) 4.484 20.381 ( -0.427 2.834 -2.720) 3.951 20.463 ( 1.053 -0.793 -2.591) 2.907 ======================= Grid point 120 (64/96) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -2.633 5.456 2.879) 6.707 0.988 ( -0.445 6.113 -0.102) 6.130 1.117 ( -0.392 -1.294 4.100) 4.318 1.123 ( 0.009 1.493 4.936) 5.157 1.272 ( 4.752 -2.083 1.140) 5.312 1.390 ( 0.875 -3.849 -3.499) 5.275 1.540 ( 3.993 3.790 1.254) 5.646 1.588 ( -1.180 1.216 -3.445) 3.839 1.672 ( -3.697 2.626 -0.310) 4.546 1.755 ( 1.849 1.873 6.838) 7.327 1.860 ( -3.100 -0.905 -2.492) 4.079 1.961 ( -0.640 4.337 3.807) 5.807 2.010 ( 1.973 -6.612 0.529) 6.921 2.113 ( 2.230 -0.161 -2.330) 3.229 2.178 ( 2.659 -0.228 1.211) 2.930 2.302 ( 2.096 3.189 -1.131) 3.980 2.366 ( -1.327 0.356 3.353) 3.624 2.417 ( 3.416 4.069 0.616) 5.348 2.445 ( -1.201 1.105 -5.694) 5.923 2.458 ( 0.998 0.211 -2.339) 2.552 2.520 ( -3.074 5.095 3.706) 7.010 2.632 ( -4.785 3.648 -2.011) 6.344 2.749 ( -2.196 -1.067 3.010) 3.876 2.801 ( 2.044 -2.313 -0.138) 3.090 2.830 ( -5.858 0.181 0.688) 5.901 2.848 ( -1.007 -0.758 2.057) 2.412 3.046 ( 0.382 -2.767 -3.735) 4.664 3.132 ( -0.041 -5.782 3.407) 6.712 3.161 ( 2.231 -2.607 -0.392) 3.454 3.213 ( -1.105 -4.740 -0.889) 4.948 3.409 ( 0.642 -0.094 -3.461) 3.522 3.426 ( 0.218 -0.719 -7.396) 7.434 3.537 ( -4.564 6.321 -1.811) 8.004 3.612 ( 1.435 8.541 -4.715) 9.861 3.883 ( 2.815 -2.229 1.781) 4.008 3.902 ( -2.769 -5.688 -1.633) 6.533 4.152 ( -2.050 -0.082 6.859) 7.159 4.321 ( -2.639 1.896 -0.633) 3.310 4.455 ( 0.657 3.307 1.900) 3.869 4.533 ( -0.000 11.042 3.451) 11.569 4.721 ( 1.380 -4.531 -5.382) 7.170 4.942 ( 2.224 3.337 -8.140) 9.074 5.050 ( 0.323 1.985 0.066) 2.012 5.116 ( 2.904 2.924 -3.551) 5.440 5.325 ( 0.704 -0.400 5.627) 5.685 5.366 ( -1.122 -0.795 6.975) 7.109 5.437 ( -0.765 -9.552 2.637) 9.939 5.522 ( 0.428 -2.761 1.634) 3.237 5.648 ( -1.003 -4.799 2.545) 5.523 5.680 ( -2.276 -3.924 3.082) 5.484 6.139 ( -2.075 5.054 2.765) 6.123 6.225 ( -1.202 -0.963 4.502) 4.758 6.285 ( 1.138 -2.055 1.666) 2.880 6.317 ( 5.428 2.153 -3.230) 6.673 6.478 ( -1.789 -3.841 4.703) 6.330 6.721 ( -1.050 -6.995 -3.272) 7.793 6.877 ( 2.302 3.140 2.014) 4.384 6.945 ( -0.014 -1.812 -1.478) 2.338 7.262 ( -1.218 3.561 0.748) 3.837 7.271 ( 1.460 3.143 0.942) 3.592 7.511 ( -2.954 8.893 3.513) 10.008 7.549 ( -3.072 6.435 2.015) 7.410 7.769 ( 2.991 -1.288 -1.253) 3.490 7.792 ( -1.466 1.811 -0.750) 2.448 7.935 ( 0.729 -0.335 -1.148) 1.401 7.969 ( 1.468 0.975 -3.176) 3.632 8.285 ( -2.812 1.272 6.822) 7.488 8.312 ( -1.183 1.075 6.619) 6.809 8.584 ( -1.479 -0.499 1.051) 1.882 8.646 ( -0.070 0.855 0.903) 1.245 8.785 ( -2.351 0.135 7.901) 8.244 9.070 ( 3.609 -1.580 -4.472) 5.960 9.163 ( -4.263 -4.314 8.877) 10.751 9.224 ( -2.824 -3.054 1.390) 4.386 9.641 ( 4.102 0.503 -6.317) 7.549 9.659 ( 0.049 1.261 -2.059) 2.415 9.733 ( 5.131 0.192 -2.234) 5.599 9.876 ( 1.916 4.318 -9.112) 10.263 9.967 ( 0.545 -4.182 12.675) 13.359 10.213 ( -3.538 -6.447 2.699) 7.834 10.823 ( -1.306 1.399 -1.244) 2.283 10.912 ( 2.973 -1.564 -6.553) 7.364 11.428 ( -2.388 1.161 -4.195) 4.965 11.513 ( -2.067 -0.660 -4.128) 4.663 11.960 ( -0.272 17.379 1.354) 17.433 12.018 ( -0.572 13.292 -1.208) 13.359 12.704 ( 0.809 -12.224 0.588) 12.265 12.775 ( 0.917 -12.079 -2.584) 12.386 13.375 ( 0.911 3.033 0.550) 3.214 13.447 ( 0.937 0.742 -2.319) 2.609 13.820 ( -1.963 2.170 4.760) 5.588 13.884 ( -1.025 -0.178 1.728) 2.017 14.595 ( 0.615 -0.966 -1.329) 1.754 14.618 ( 2.711 -1.654 -2.806) 4.237 14.793 ( 1.086 0.807 0.222) 1.371 14.862 ( -0.353 -1.563 -2.114) 2.652 15.428 ( 0.735 -0.594 0.232) 0.973 15.446 ( 2.941 -1.302 -0.626) 3.276 15.905 ( -1.364 3.428 4.528) 5.841 16.102 ( -0.729 0.172 -2.395) 2.510 16.173 ( -2.600 -2.641 3.179) 4.883 16.283 ( 0.822 -9.833 1.088) 9.927 16.359 ( -3.164 3.524 3.540) 5.913 16.669 ( 0.553 -10.127 -5.296) 11.441 16.957 ( 1.140 14.809 14.500) 20.757 17.196 ( -0.576 2.131 0.664) 2.305 17.229 ( -0.415 -0.643 1.876) 2.026 17.513 ( -0.100 -6.204 -0.912) 6.271 17.711 ( 0.149 2.151 0.567) 2.230 17.912 ( -2.920 11.250 -9.321) 14.899 17.963 ( 1.330 -8.437 7.765) 11.544 18.280 ( -3.170 -3.721 -4.165) 6.422 19.093 ( -0.438 0.934 -0.496) 1.144 19.198 ( -2.013 -3.789 -5.121) 6.680 19.646 ( 1.562 3.550 2.731) 4.743 19.663 ( 2.720 2.050 1.862) 3.882 20.053 ( -0.345 2.083 1.473) 2.574 20.193 ( -0.821 -3.311 -3.354) 4.784 20.358 ( -0.219 2.194 -0.948) 2.399 20.443 ( 0.069 -1.345 -3.393) 3.651 ======================= Grid point 121 (65/96) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -5.670 9.730 3.905) 11.919 0.961 ( -2.881 6.118 1.512) 6.929 1.118 ( -3.088 -1.588 5.340) 6.370 1.209 ( 3.400 -1.362 0.868) 3.764 1.345 ( 1.482 -2.510 -2.293) 3.709 1.393 ( 6.199 -1.530 -3.161) 7.125 1.499 ( -5.170 2.470 -0.918) 5.802 1.613 ( -2.992 1.576 0.627) 3.439 1.623 ( 4.129 1.610 -2.192) 4.945 1.793 ( -2.739 -0.540 2.071) 3.476 1.865 ( 1.957 0.721 6.260) 6.598 1.940 ( -4.211 -2.708 1.548) 5.240 2.015 ( 1.320 0.422 -5.709) 5.875 2.130 ( 1.126 1.119 0.333) 1.622 2.209 ( -6.652 -4.238 -2.319) 8.221 2.269 ( 2.277 2.172 -0.625) 3.208 2.283 ( -5.724 1.768 -2.425) 6.463 2.412 ( 1.022 8.161 0.451) 8.238 2.463 ( 0.096 2.351 0.525) 2.410 2.480 ( 0.364 4.333 -0.959) 4.453 2.541 ( 2.266 5.690 3.169) 6.896 2.588 ( 1.087 3.076 0.489) 3.299 2.727 ( -2.989 -0.741 3.267) 4.490 2.765 ( -1.539 0.312 2.304) 2.788 2.848 ( 2.885 -2.421 -1.077) 3.917 2.907 ( 0.341 -2.128 6.682) 7.021 3.037 ( 3.073 -2.994 -1.921) 4.701 3.140 ( -2.684 -6.554 -3.574) 7.933 3.180 ( 1.719 0.127 -2.855) 3.335 3.203 ( 1.223 -3.131 2.345) 4.099 3.357 ( 1.028 -0.460 -1.093) 1.569 3.411 ( 2.041 -2.540 -5.556) 6.442 3.460 ( -2.101 3.144 -0.248) 3.790 3.639 ( 2.940 6.820 -0.105) 7.428 3.820 ( -3.115 -4.629 -1.699) 5.832 3.944 ( 1.117 -3.295 1.230) 3.691 4.167 ( -4.157 -2.697 6.485) 8.162 4.274 ( -2.164 2.935 0.031) 3.647 4.477 ( 0.272 3.202 0.742) 3.298 4.571 ( 0.621 9.160 3.075) 9.682 4.675 ( -1.004 -3.969 -4.175) 5.847 4.901 ( 1.563 4.117 -6.715) 8.030 5.060 ( 0.740 2.020 0.038) 2.151 5.123 ( 2.054 3.436 -3.822) 5.535 5.340 ( -4.426 -3.554 3.521) 6.680 5.395 ( -2.826 -0.324 5.202) 5.928 5.442 ( -0.577 -6.214 1.240) 6.362 5.527 ( -0.642 -5.116 -0.046) 5.157 5.676 ( 0.216 -2.983 2.138) 3.677 5.690 ( 1.081 -3.337 3.919) 5.260 6.126 ( -1.469 6.436 1.043) 6.684 6.235 ( -1.767 -1.141 2.911) 3.591 6.310 ( 0.411 -1.685 0.549) 1.820 6.387 ( 5.594 1.148 -2.576) 6.265 6.495 ( -1.664 -4.452 4.401) 6.478 6.692 ( 1.225 -5.574 -2.581) 6.263 6.930 ( 1.044 0.066 -2.916) 3.098 6.955 ( 4.511 1.296 1.555) 4.945 7.200 ( -4.536 3.614 0.049) 5.800 7.327 ( 2.210 2.687 0.492) 3.514 7.515 ( -1.529 7.377 3.824) 8.448 7.545 ( 0.314 5.386 3.100) 6.223 7.775 ( 1.003 1.690 -1.104) 2.254 7.811 ( 2.286 0.551 0.157) 2.357 7.923 ( 0.844 -0.872 -3.146) 3.372 7.981 ( 2.180 2.109 -1.893) 3.576 8.296 ( -3.697 1.008 6.460) 7.511 8.347 ( -2.004 -0.582 6.314) 6.650 8.578 ( -0.345 -0.107 0.844) 0.918 8.655 ( 0.319 1.041 0.967) 1.456 8.821 ( -1.894 0.714 7.038) 7.324 9.081 ( 2.134 1.140 -3.749) 4.462 9.172 ( -2.015 -6.024 3.445) 7.226 9.234 ( -0.297 -3.964 6.997) 8.047 9.626 ( -1.157 0.521 -2.134) 2.482 9.639 ( 4.318 -0.767 -8.420) 9.493 9.793 ( 4.570 1.144 -6.407) 7.953 9.831 ( 3.021 4.649 -5.581) 7.866 10.108 ( 0.314 -7.448 14.944) 16.700 10.179 ( -3.347 -6.103 2.299) 7.330 10.773 ( -1.753 2.611 -3.581) 4.766 10.893 ( 2.162 -1.214 -5.899) 6.399 11.369 ( -2.069 1.860 0.480) 2.823 11.454 ( -1.433 -0.333 -1.563) 2.147 11.961 ( -0.044 16.116 -0.277) 16.118 12.029 ( 2.178 16.125 0.677) 16.286 12.662 ( -3.113 -12.546 -1.355) 12.998 12.836 ( 6.229 -11.063 -0.988) 12.735 13.404 ( 1.917 2.795 0.481) 3.423 13.447 ( 2.022 1.788 -2.677) 3.802 13.836 ( -1.490 1.634 4.535) 5.045 13.882 ( -0.957 -0.039 1.438) 1.728 14.586 ( 0.296 0.065 -2.052) 2.075 14.636 ( 2.659 -1.682 -2.897) 4.277 14.806 ( -0.231 -0.980 0.624) 1.185 14.821 ( -1.700 -1.128 -2.388) 3.141 15.421 ( -1.221 -0.269 -0.872) 1.524 15.469 ( 1.199 -2.240 -2.594) 3.631 15.932 ( -1.029 4.168 5.017) 6.603 16.067 ( -0.721 0.051 -1.760) 1.903 16.156 ( -2.909 -3.258 3.672) 5.706 16.298 ( 1.827 -2.103 -1.899) 3.372 16.376 ( -2.346 -4.757 8.124) 9.702 16.643 ( 2.312 -10.399 -5.192) 11.851 17.099 ( -1.270 9.019 8.975) 12.787 17.219 ( 2.748 6.550 3.151) 7.771 17.238 ( -0.312 1.550 5.787) 5.999 17.520 ( 4.643 -0.680 -5.853) 7.502 17.731 ( 1.175 3.557 1.032) 3.886 17.807 ( -0.179 9.318 -6.283) 11.239 18.092 ( 3.539 -9.020 9.844) 13.813 18.186 ( -2.043 -5.014 -5.538) 7.746 19.097 ( -0.069 -1.373 0.754) 1.568 19.121 ( -1.928 -2.131 -2.669) 3.922 19.671 ( -0.121 3.720 -0.329) 3.736 19.725 ( 3.207 2.358 -0.054) 3.981 20.077 ( 0.513 0.156 3.184) 3.228 20.147 ( -0.373 -1.844 -3.347) 3.839 20.349 ( -0.941 0.895 0.524) 1.400 20.408 ( -0.135 -0.943 -3.151) 3.291 ======================= Grid point 122 (66/96) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -4.628 11.204 6.275) 13.649 0.900 ( -6.234 6.835 -0.951) 9.300 1.115 ( -3.463 -1.716 4.602) 6.009 1.188 ( -4.652 -3.485 0.271) 5.819 1.338 ( -4.055 2.395 1.251) 4.873 1.427 ( 7.334 1.578 -5.655) 9.394 1.485 ( -0.031 -0.456 -2.258) 2.303 1.551 ( -1.556 -4.177 -1.029) 4.574 1.651 ( 1.964 1.287 -1.307) 2.687 1.798 ( -1.836 -5.132 1.737) 5.720 1.872 ( -5.761 1.313 -0.636) 5.943 1.899 ( -3.405 5.050 4.402) 7.515 2.012 ( 4.550 2.896 -3.576) 6.472 2.057 ( -3.409 0.875 0.656) 3.580 2.111 ( -4.992 3.500 2.806) 6.711 2.224 ( 2.032 3.663 -5.732) 7.100 2.329 ( 1.658 -2.447 -0.843) 3.074 2.386 ( -1.764 0.861 2.521) 3.195 2.456 ( -1.096 3.769 -2.205) 4.502 2.480 ( 1.302 1.794 -0.189) 2.225 2.592 ( -0.843 1.711 0.023) 1.908 2.640 ( 2.172 0.473 4.906) 5.386 2.754 ( 1.781 1.576 3.646) 4.353 2.793 ( 1.299 2.506 2.511) 3.778 2.873 ( 1.137 -2.178 -0.086) 2.458 2.960 ( 0.194 -1.385 4.242) 4.467 3.030 ( -5.120 -3.455 -1.458) 6.346 3.117 ( 5.758 -2.860 0.223) 6.433 3.174 ( 1.772 2.163 -3.812) 4.727 3.260 ( 4.344 1.030 -1.140) 4.608 3.366 ( 0.608 -1.188 -1.601) 2.084 3.389 ( -1.663 -0.441 0.089) 1.723 3.504 ( 4.870 -0.911 1.352) 5.136 3.646 ( -2.659 -2.683 1.881) 4.220 3.812 ( 4.270 3.122 -1.042) 5.391 3.945 ( -2.201 -2.149 1.084) 3.262 4.147 ( -3.419 -5.930 3.442) 7.662 4.249 ( -2.917 -0.526 3.007) 4.222 4.485 ( 1.009 2.705 -0.590) 2.947 4.607 ( -1.330 9.786 4.654) 10.918 4.620 ( 0.031 -5.099 -3.861) 6.396 4.872 ( 2.120 4.434 -5.596) 7.447 5.046 ( -1.350 2.919 -3.561) 4.798 5.127 ( 1.267 -0.574 -0.431) 1.456 5.275 ( -5.197 -5.081 -0.061) 7.268 5.330 ( -6.037 -1.048 1.012) 6.210 5.472 ( 0.115 -3.625 3.329) 4.923 5.503 ( -1.920 -4.843 -0.732) 5.261 5.696 ( 0.249 -2.652 1.124) 2.891 5.760 ( 2.845 -2.135 2.177) 4.170 6.119 ( 0.165 7.829 0.020) 7.831 6.225 ( -2.113 -1.087 1.811) 2.987 6.310 ( -0.426 -0.522 -0.415) 0.792 6.436 ( 3.636 2.441 -3.761) 5.773 6.496 ( -2.633 -2.071 3.356) 4.742 6.715 ( 3.132 -7.151 -0.658) 7.834 6.922 ( 2.079 2.688 -3.780) 5.083 7.055 ( 5.524 -0.289 1.180) 5.656 7.135 ( -2.825 3.961 0.429) 4.884 7.358 ( 1.946 -0.275 -0.296) 1.988 7.523 ( -1.312 4.873 3.290) 6.024 7.607 ( 2.262 4.028 3.346) 5.704 7.789 ( -0.256 2.271 0.641) 2.373 7.843 ( 1.483 1.445 0.148) 2.076 7.910 ( 1.683 1.058 -3.827) 4.312 7.999 ( 1.509 -0.721 -0.731) 1.825 8.279 ( -5.008 0.817 5.234) 7.290 8.371 ( -1.086 -2.529 4.286) 5.094 8.589 ( 0.984 0.680 0.501) 1.297 8.682 ( 1.318 1.477 1.785) 2.665 8.857 ( -1.441 4.009 6.211) 7.531 9.069 ( 0.196 2.488 -2.347) 3.426 9.177 ( 0.004 -5.729 1.258) 5.866 9.321 ( 2.057 -5.850 6.794) 9.198 9.586 ( -2.178 0.917 -0.068) 2.365 9.628 ( 3.944 -1.030 -8.228) 9.182 9.766 ( 4.907 2.394 -11.540) 12.767 9.867 ( 4.129 1.189 -3.112) 5.305 10.145 ( -1.934 -5.543 -0.088) 5.871 10.248 ( 0.100 -12.760 12.289) 17.715 10.704 ( -2.001 3.254 -4.036) 5.557 10.873 ( 0.739 -3.341 -3.961) 5.235 11.376 ( -1.008 2.188 6.519) 6.950 11.444 ( -0.227 0.426 2.619) 2.663 11.963 ( 0.948 12.887 -0.771) 12.945 12.104 ( 6.240 23.298 0.821) 24.133 12.605 ( -1.943 -11.591 -1.274) 11.821 12.931 ( 6.246 -9.843 -1.532) 11.758 13.440 ( 2.293 2.661 -0.714) 3.585 13.466 ( 3.111 2.112 -2.096) 4.305 13.853 ( -1.295 1.186 3.543) 3.954 13.882 ( -0.588 0.302 1.302) 1.460 14.569 ( 0.298 0.784 -2.243) 2.394 14.650 ( 2.513 -1.729 -3.341) 4.524 14.752 ( -2.756 -0.359 -2.556) 3.776 14.811 ( -0.549 -2.637 0.767) 2.800 15.376 ( -2.494 0.074 -1.610) 2.970 15.432 ( -1.420 -2.094 -4.179) 4.886 15.956 ( -1.688 3.062 4.235) 5.492 16.046 ( -1.115 -0.399 0.221) 1.205 16.159 ( -0.488 -2.841 2.832) 4.041 16.311 ( 1.964 0.196 -2.399) 3.106 16.412 ( -3.177 -5.742 8.325) 10.600 16.648 ( 3.960 -10.607 -4.468) 12.172 17.108 ( 0.077 4.792 0.052) 4.793 17.221 ( -0.411 -0.794 -0.498) 1.023 17.440 ( 6.077 8.425 11.020) 15.144 17.565 ( 8.211 3.869 -3.957) 9.901 17.741 ( 1.243 4.460 -2.757) 5.389 17.831 ( 4.064 9.829 6.662) 12.550 18.104 ( -0.425 -6.614 -5.402) 8.550 18.265 ( 4.735 -5.847 8.956) 11.696 19.048 ( -2.734 -0.261 -0.565) 2.804 19.147 ( 1.976 -4.104 3.248) 5.594 19.635 ( -2.501 3.938 -2.282) 5.193 19.761 ( 2.557 1.087 -3.127) 4.183 20.081 ( -0.801 -1.141 -2.076) 2.500 20.161 ( 1.770 -2.496 2.754) 4.116 20.328 ( -1.858 1.214 0.537) 2.284 20.384 ( -0.601 0.577 -0.949) 1.263 ======================= Grid point 123 (67/96) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -11.588 8.190 -2.071) 14.340 0.813 ( -2.635 10.762 8.625) 14.041 1.075 ( -5.672 0.103 4.787) 7.423 1.156 ( -2.994 -2.645 5.371) 6.694 1.267 ( -6.821 1.041 3.658) 7.809 1.423 ( -2.652 1.614 -1.177) 3.321 1.488 ( 2.699 0.394 -6.205) 6.778 1.513 ( 0.861 -1.470 -2.935) 3.394 1.681 ( 2.348 -1.747 -3.264) 4.384 1.728 ( -5.959 6.596 -3.500) 9.554 1.791 ( 1.167 -6.085 2.196) 6.573 1.931 ( 0.344 3.105 4.120) 5.171 1.990 ( -6.635 3.219 0.761) 7.414 2.026 ( -1.272 1.890 2.430) 3.331 2.154 ( 6.689 -1.831 -2.587) 7.402 2.206 ( 0.906 0.047 -4.859) 4.943 2.321 ( 1.906 0.337 -3.221) 3.758 2.389 ( -1.840 3.672 1.825) 4.494 2.436 ( -0.728 2.090 0.621) 2.298 2.488 ( 0.529 0.059 -0.752) 0.921 2.565 ( -0.040 -3.740 -1.593) 4.065 2.693 ( -1.778 -1.523 4.994) 5.515 2.822 ( -0.068 -0.499 2.702) 2.748 2.846 ( 4.502 2.681 2.522) 5.815 2.874 ( -0.990 1.247 -0.110) 1.596 2.972 ( -0.071 -0.595 1.411) 1.533 3.023 ( 1.723 -0.679 1.802) 2.584 3.157 ( 0.698 3.457 -3.246) 4.793 3.198 ( 2.530 -3.211 1.282) 4.285 3.311 ( -3.117 -2.228 -4.099) 5.611 3.322 ( 3.210 3.336 -0.311) 4.640 3.392 ( 0.544 1.254 0.214) 1.384 3.564 ( 2.136 0.543 0.671) 2.304 3.657 ( 1.531 3.397 0.416) 3.749 3.895 ( -0.862 -0.519 3.660) 3.796 3.917 ( 2.382 -0.232 1.910) 3.062 4.125 ( -3.715 -8.548 3.916) 10.109 4.234 ( -1.658 -4.667 2.597) 5.593 4.513 ( 3.179 1.255 -0.658) 3.481 4.582 ( -1.210 0.518 0.227) 1.335 4.648 ( 1.137 3.485 2.040) 4.195 4.867 ( 3.136 3.058 -4.914) 6.583 4.960 ( -3.902 3.491 -3.607) 6.358 5.127 ( -1.318 -5.605 -1.199) 5.881 5.167 ( -5.078 -3.655 -3.333) 7.089 5.265 ( -3.215 0.715 1.955) 3.830 5.440 ( -3.197 -4.531 -3.717) 6.676 5.492 ( -1.391 -3.228 2.963) 4.597 5.699 ( -0.526 -1.957 -0.140) 2.031 5.813 ( 2.430 -1.863 -0.900) 3.192 6.132 ( 1.196 8.106 -0.290) 8.199 6.202 ( -2.006 -1.060 0.969) 2.467 6.290 ( -0.930 0.513 -1.271) 1.656 6.436 ( 1.554 4.772 -5.158) 7.196 6.482 ( -2.723 -0.393 3.876) 4.754 6.765 ( 2.297 -8.737 0.762) 9.066 6.933 ( 3.551 4.724 -3.333) 6.784 7.112 ( -0.001 5.181 2.213) 5.634 7.168 ( 5.660 -0.288 0.087) 5.668 7.398 ( 3.067 -3.766 -0.330) 4.868 7.529 ( -1.650 3.281 2.526) 4.457 7.662 ( 1.122 2.731 1.974) 3.552 7.755 ( -4.167 -0.683 0.409) 4.242 7.864 ( 2.114 -1.254 -3.766) 4.497 7.901 ( -1.050 4.054 1.821) 4.567 8.021 ( 1.147 -3.049 0.579) 3.309 8.239 ( -4.924 1.321 4.495) 6.796 8.391 ( 0.476 -3.599 0.588) 3.678 8.622 ( 1.710 1.603 1.295) 2.678 8.725 ( 1.302 2.121 2.090) 3.250 8.890 ( -1.050 8.456 4.947) 9.853 9.051 ( 0.356 2.453 -1.827) 3.079 9.196 ( 1.700 -5.618 0.053) 5.869 9.413 ( 2.162 -5.235 4.151) 7.022 9.556 ( -2.256 1.308 1.644) 3.083 9.615 ( 2.699 -1.032 -6.137) 6.784 9.753 ( 6.084 0.742 -10.480) 12.141 9.902 ( 4.868 -0.265 -5.070) 7.034 10.118 ( 0.870 -5.056 -3.047) 5.967 10.329 ( -1.437 -17.635 6.616) 18.890 10.630 ( -2.617 2.556 -3.310) 4.933 10.814 ( -3.968 -6.752 -4.378) 8.972 11.450 ( 0.098 1.601 9.190) 9.329 11.493 ( 0.594 0.260 6.409) 6.442 11.976 ( 1.257 11.381 -0.334) 11.455 12.248 ( 11.243 27.394 -3.191) 29.783 12.578 ( -0.493 -10.410 -0.054) 10.422 13.003 ( 4.976 -8.074 -4.062) 10.317 13.469 ( 2.932 2.637 -2.139) 4.486 13.496 ( 2.100 1.854 -2.184) 3.552 13.857 ( -1.817 1.265 2.818) 3.584 13.883 ( -0.617 0.417 0.740) 1.050 14.559 ( 1.062 1.168 -1.716) 2.331 14.653 ( 2.004 -1.689 -4.066) 4.838 14.690 ( -1.890 0.553 -1.604) 2.540 14.807 ( -0.489 -3.952 0.160) 3.986 15.319 ( -2.185 0.453 -1.387) 2.627 15.361 ( -2.190 -0.919 -3.122) 3.923 15.959 ( -2.321 1.143 3.640) 4.466 16.025 ( -2.335 -1.508 1.224) 3.037 16.183 ( 0.875 -0.589 0.987) 1.445 16.309 ( 0.898 -0.824 -3.206) 3.430 16.429 ( -3.115 -2.303 6.626) 7.675 16.682 ( 4.365 -10.172 -3.873) 11.727 17.126 ( 1.833 2.941 -0.008) 3.466 17.212 ( 0.037 -0.828 -0.428) 0.933 17.548 ( 9.033 5.851 -7.850) 13.321 17.701 ( 4.011 -1.503 1.855) 4.668 17.756 ( 3.839 2.063 -2.030) 4.807 18.068 ( 2.709 -7.126 -2.277) 7.957 18.120 ( 13.806 12.619 15.817) 24.495 18.394 ( 1.601 -2.398 5.577) 6.278 19.037 ( 0.002 1.992 5.098) 5.473 19.230 ( 2.931 -5.242 4.777) 7.674 19.555 ( -3.865 3.477 -2.662) 5.841 19.722 ( -2.332 -1.661 -7.528) 8.054 20.053 ( -0.290 1.256 -1.140) 1.720 20.187 ( -0.854 -3.378 0.782) 3.571 20.327 ( -0.131 1.951 3.236) 3.781 20.357 ( -2.470 1.775 0.097) 3.043 ======================= Grid point 124 (68/96) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -4.758 6.394 10.374) 13.082 0.863 ( -3.172 2.432 10.108) 10.870 1.027 ( -7.229 0.718 7.056) 10.127 1.157 ( -4.222 -3.672 6.557) 8.620 1.212 ( -4.297 2.681 5.641) 7.581 1.394 ( -4.012 8.296 4.209) 10.131 1.427 ( -0.447 -3.223 -1.000) 3.404 1.535 ( 5.296 -1.509 -8.138) 9.826 1.606 ( -3.240 3.880 -5.054) 7.148 1.668 ( 1.830 -0.867 -5.498) 5.859 1.848 ( 2.229 -2.682 0.022) 3.487 1.894 ( -3.927 2.968 0.424) 4.941 1.990 ( 3.701 -1.404 -0.643) 4.011 2.018 ( -3.305 -0.161 2.012) 3.872 2.097 ( -4.006 -6.683 -8.309) 11.391 2.188 ( 3.065 1.127 -6.426) 7.208 2.347 ( -5.581 1.345 2.006) 6.081 2.397 ( 3.362 0.588 2.021) 3.966 2.420 ( 1.232 5.693 -0.097) 5.826 2.509 ( 2.863 2.360 1.400) 3.966 2.587 ( 3.269 -3.993 -1.413) 5.350 2.694 ( -3.441 -0.626 5.821) 6.791 2.829 ( -1.008 0.014 0.307) 1.054 2.872 ( -0.573 0.605 2.165) 2.320 2.946 ( 2.855 3.025 3.324) 5.324 2.976 ( 0.137 -0.390 -1.129) 1.203 3.044 ( 2.133 0.460 -3.995) 4.552 3.157 ( 0.608 3.771 0.995) 3.948 3.215 ( -1.029 1.547 -2.176) 2.861 3.249 ( 0.084 -6.236 1.203) 6.352 3.343 ( -1.491 1.440 -2.007) 2.885 3.383 ( 0.635 3.069 -0.752) 3.223 3.599 ( 1.961 5.084 -2.975) 6.208 3.673 ( 0.923 4.406 1.397) 4.713 3.903 ( -1.706 1.713 7.493) 7.873 4.017 ( 2.209 -2.938 3.229) 4.893 4.088 ( -4.923 -11.311 4.801) 13.237 4.260 ( 2.052 -6.806 2.406) 7.504 4.562 ( 3.274 -0.821 -2.087) 3.968 4.577 ( 0.923 0.583 -1.632) 1.964 4.683 ( 0.434 2.467 2.153) 3.303 4.841 ( -1.370 3.603 -3.633) 5.297 4.914 ( 2.307 0.666 -1.426) 2.793 5.057 ( -3.022 -1.181 -3.991) 5.144 5.080 ( -2.519 -5.339 -0.802) 5.958 5.243 ( -2.020 1.487 1.217) 2.787 5.337 ( -2.762 -5.289 -6.274) 8.658 5.484 ( -1.804 -3.000 1.190) 3.697 5.681 ( -0.725 -0.914 -0.917) 1.484 5.816 ( 0.185 -1.851 -3.158) 3.665 6.137 ( -0.523 8.515 -0.111) 8.532 6.182 ( -0.570 -1.352 -0.751) 1.648 6.257 ( -1.260 1.221 -1.656) 2.412 6.394 ( 0.100 7.435 -5.919) 9.504 6.493 ( -2.383 -2.267 7.107) 7.831 6.799 ( 0.987 -8.587 0.515) 8.659 6.984 ( 5.471 5.901 -1.827) 8.252 7.149 ( 0.740 4.901 2.954) 5.770 7.255 ( 5.184 2.014 -0.993) 5.649 7.430 ( 0.143 -2.246 -0.612) 2.332 7.527 ( 0.224 -1.660 1.252) 2.092 7.655 ( -5.595 0.189 0.600) 5.630 7.702 ( -0.750 -0.781 1.786) 2.088 7.820 ( -2.668 -0.818 -2.043) 3.458 7.925 ( 0.029 -1.217 2.918) 3.162 8.032 ( -1.122 -4.277 1.046) 4.544 8.217 ( -2.366 2.742 3.976) 5.378 8.395 ( 0.819 -3.142 -1.979) 3.802 8.659 ( 0.317 2.728 2.269) 3.562 8.753 ( -0.255 3.051 1.496) 3.407 8.913 ( -0.875 10.934 3.057) 11.387 9.053 ( 1.679 2.015 -1.360) 2.954 9.238 ( 3.672 -5.380 -0.827) 6.566 9.456 ( -0.642 -6.939 0.857) 7.021 9.552 ( -0.780 3.392 3.770) 5.131 9.600 ( 1.092 -0.038 -3.362) 3.535 9.764 ( 6.387 -0.940 -9.373) 11.381 9.924 ( 3.767 0.265 -6.183) 7.245 10.136 ( 5.397 -6.986 -3.347) 9.441 10.309 ( -9.655 -20.527 5.188) 23.270 10.550 ( -3.111 1.236 -3.534) 4.868 10.665 ( -4.907 -2.619 -6.783) 8.772 11.535 ( 0.195 1.292 7.678) 7.789 11.567 ( -0.113 -0.925 7.334) 7.393 12.000 ( 1.447 11.761 0.714) 11.871 12.346 ( 6.495 26.891 -10.753) 29.681 12.588 ( 0.741 -9.374 1.667) 9.549 12.998 ( 0.890 -5.595 -7.826) 9.661 13.484 ( -0.394 2.690 -2.199) 3.497 13.497 ( 2.989 2.181 -2.736) 4.602 13.850 ( -2.495 1.006 3.372) 4.313 13.880 ( -0.490 -0.339 0.721) 0.935 14.576 ( 2.507 1.100 -0.938) 2.894 14.638 ( 0.039 -0.266 -1.894) 1.913 14.663 ( 0.868 -0.270 -3.071) 3.202 14.795 ( -0.503 -4.513 -1.260) 4.712 15.285 ( -0.577 0.963 -0.579) 1.263 15.320 ( -0.160 -0.143 -1.014) 1.037 15.949 ( -3.329 -0.418 3.994) 5.216 15.998 ( -1.557 -1.777 0.755) 2.480 16.201 ( 0.678 0.334 0.044) 0.757 16.279 ( -0.867 -1.980 -2.748) 3.497 16.440 ( -1.917 1.300 4.561) 5.116 16.708 ( 3.756 -8.730 -4.989) 10.734 17.156 ( 1.092 1.365 0.711) 1.887 17.213 ( 0.334 -0.708 -0.347) 0.857 17.648 ( 10.186 3.519 -5.298) 12.008 17.745 ( 1.373 -0.918 0.413) 1.702 17.817 ( 5.767 0.930 -2.559) 6.377 18.080 ( 0.603 -8.131 -2.389) 8.496 18.334 ( -3.944 3.328 0.769) 5.217 18.481 ( 4.138 -4.783 1.000) 6.404 19.175 ( 5.506 2.994 9.388) 11.287 19.297 ( -0.690 -2.846 3.254) 4.378 19.478 ( -2.053 3.148 -1.356) 3.995 19.556 ( -5.757 2.485 -4.640) 7.800 20.068 ( 2.960 2.622 0.881) 4.051 20.193 ( 0.283 -1.860 2.294) 2.967 20.299 ( -4.224 2.793 0.650) 5.105 20.361 ( -0.063 -0.267 2.325) 2.341 ======================= Grid point 125 (69/96) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.463 -7.031 10.623) 12.748 0.822 ( 0.463 7.031 10.623) 12.748 1.009 ( -9.029 -5.182 7.698) 12.947 1.009 ( -9.029 5.182 7.698) 12.947 1.318 ( -1.111 -3.734 4.019) 5.597 1.318 ( -1.111 3.734 4.019) 5.597 1.471 ( -0.863 -1.935 -7.386) 7.684 1.471 ( -0.863 1.935 -7.386) 7.684 1.598 ( -0.040 -3.333 -4.539) 5.632 1.598 ( -0.040 3.333 -4.539) 5.632 1.821 ( 3.529 -3.998 -1.356) 5.502 1.821 ( 3.529 3.998 -1.356) 5.502 1.936 ( 0.811 -2.331 -6.713) 7.152 1.936 ( 0.811 2.331 -6.713) 7.152 2.117 ( 0.256 -1.993 -7.847) 8.101 2.117 ( 0.256 1.993 -7.847) 8.101 2.407 ( -2.594 -2.750 8.536) 9.336 2.407 ( -2.594 2.750 8.536) 9.336 2.572 ( 2.865 -2.012 -1.580) 3.841 2.572 ( 2.865 2.012 -1.580) 3.841 2.694 ( 0.643 -4.339 5.154) 6.768 2.694 ( 0.643 4.339 5.154) 6.768 2.819 ( -2.545 -2.047 6.275) 7.074 2.819 ( -2.545 2.047 6.275) 7.074 3.015 ( 1.704 -4.220 -0.579) 4.588 3.015 ( 1.704 4.220 -0.579) 4.588 3.083 ( 1.264 -3.480 -1.836) 4.133 3.083 ( 1.264 3.480 -1.836) 4.133 3.213 ( -2.845 -0.355 1.925) 3.453 3.213 ( -2.845 0.355 1.925) 3.453 3.390 ( -0.310 -4.539 -1.777) 4.884 3.390 ( -0.310 4.539 -1.777) 4.884 3.695 ( -1.832 -5.415 -3.218) 6.560 3.695 ( -1.832 5.415 -3.218) 6.560 3.960 ( 1.339 -8.717 2.055) 9.056 3.960 ( 1.339 8.717 2.055) 9.056 4.101 ( 0.296 -8.928 6.008) 10.765 4.101 ( 0.296 8.928 6.008) 10.765 4.519 ( 0.182 -0.367 -6.150) 6.164 4.519 ( 0.182 0.367 -6.150) 6.164 4.819 ( 0.739 -5.444 2.629) 6.091 4.819 ( 0.739 5.444 2.629) 6.091 4.965 ( -0.836 -4.002 3.174) 5.176 4.965 ( -0.836 4.002 3.174) 5.176 5.104 ( 1.734 -6.060 -4.156) 7.550 5.104 ( 1.734 6.060 -4.156) 7.550 5.334 ( -1.570 -6.908 -1.027) 7.158 5.334 ( -1.570 6.908 -1.027) 7.158 5.709 ( -0.611 -3.357 -3.371) 4.797 5.709 ( -0.611 3.357 -3.371) 4.797 6.156 ( -0.090 -0.652 -1.590) 1.721 6.156 ( -0.090 0.652 -1.590) 1.721 6.373 ( -2.940 -6.100 1.967) 7.052 6.373 ( -2.940 6.100 1.967) 7.052 6.614 ( 0.077 -10.561 1.248) 10.634 6.614 ( 0.077 10.561 1.248) 10.634 7.162 ( 0.411 -2.757 -2.406) 3.683 7.162 ( 0.411 2.757 -2.406) 3.683 7.414 ( 5.570 -3.253 -0.706) 6.489 7.414 ( 5.570 3.253 -0.706) 6.489 7.492 ( -4.297 -2.667 0.224) 5.062 7.492 ( -4.297 2.667 0.224) 5.062 7.730 ( -0.915 -1.667 1.632) 2.506 7.730 ( -0.915 1.667 1.632) 2.506 7.922 ( -2.761 -3.077 2.915) 5.059 7.922 ( -2.761 3.077 2.915) 5.059 8.323 ( -1.750 -4.330 1.594) 4.935 8.323 ( -1.750 4.330 1.594) 4.935 8.744 ( -1.015 -2.576 1.356) 3.083 8.744 ( -1.015 2.576 1.356) 3.083 9.152 ( -2.789 -10.354 0.869) 10.758 9.152 ( -2.789 10.354 0.869) 10.758 9.181 ( 0.091 -6.721 2.114) 7.046 9.181 ( 0.091 6.721 2.114) 7.046 9.597 ( -0.588 -2.026 0.666) 2.212 9.597 ( -0.588 2.026 0.666) 2.212 9.877 ( 4.253 -4.801 -8.184) 10.398 9.877 ( 4.253 4.801 -8.184) 10.398 10.020 ( -2.548 -5.531 2.007) 6.412 10.020 ( -2.548 5.531 2.007) 6.412 10.547 ( 2.538 -2.603 -5.090) 6.255 10.547 ( 2.538 2.603 -5.090) 6.255 11.609 ( -1.178 -1.048 6.472) 6.661 11.609 ( -1.178 1.048 6.472) 6.661 12.360 ( 1.608 -14.486 3.475) 14.984 12.360 ( 1.608 14.486 3.475) 14.984 12.722 ( 0.277 -14.140 -12.429) 18.828 12.722 ( 0.277 14.140 -12.429) 18.828 13.512 ( -0.458 -1.813 -1.660) 2.500 13.512 ( -0.458 1.813 -1.660) 2.500 13.853 ( -1.973 -1.281 2.219) 3.234 13.853 ( -1.973 1.281 2.219) 3.234 14.631 ( 2.323 -1.115 -3.630) 4.452 14.631 ( 2.323 1.115 -3.630) 4.452 14.675 ( 0.274 -3.413 -0.097) 3.425 14.675 ( 0.274 3.413 -0.097) 3.425 15.311 ( 1.070 -0.919 -1.023) 1.743 15.311 ( 1.070 0.919 -1.023) 1.743 15.938 ( -1.895 -2.436 1.970) 3.661 15.938 ( -1.895 2.436 1.970) 3.661 16.205 ( -2.182 -1.170 0.941) 2.649 16.205 ( -2.182 1.170 0.941) 2.649 16.560 ( 2.110 -6.331 -1.083) 6.761 16.560 ( 2.110 6.331 -1.083) 6.761 17.195 ( 0.137 -0.981 0.180) 1.007 17.195 ( 0.137 0.981 0.180) 1.007 17.733 ( 1.102 -1.328 -2.165) 2.768 17.733 ( 1.102 1.328 -2.165) 2.768 17.912 ( -2.974 -2.571 -2.233) 4.521 17.912 ( -2.974 2.571 -2.233) 4.521 18.327 ( -4.147 -2.700 1.113) 5.072 18.327 ( -4.147 2.700 1.113) 5.072 19.265 ( -2.093 -2.272 2.286) 3.843 19.265 ( -2.093 2.272 2.286) 3.843 19.571 ( 3.346 -1.402 0.182) 3.633 19.571 ( 3.346 1.402 0.182) 3.633 20.179 ( 0.285 -1.698 2.327) 2.895 20.179 ( 0.285 1.698 2.327) 2.895 20.324 ( -0.241 -2.384 0.671) 2.488 20.324 ( -0.241 2.384 0.671) 2.488 ======================= Grid point 127 (70/96) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -6.821 -1.758 7.749) 10.472 0.902 ( -6.821 1.758 7.749) 10.472 1.005 ( 2.738 -7.955 9.916) 13.004 1.005 ( 2.738 7.955 9.916) 13.004 1.302 ( -2.702 -2.019 -2.881) 4.436 1.302 ( -2.702 2.019 -2.881) 4.436 1.412 ( 0.144 -2.396 0.261) 2.414 1.412 ( 0.144 2.396 0.261) 2.414 1.613 ( 3.441 -3.142 0.276) 4.667 1.613 ( 3.441 3.142 0.276) 4.667 1.866 ( 4.201 -4.454 -2.332) 6.552 1.866 ( 4.201 4.454 -2.332) 6.552 1.878 ( 1.130 -5.111 -7.581) 9.212 1.878 ( 1.129 5.111 -7.581) 9.212 2.073 ( 1.431 -1.179 -4.786) 5.133 2.073 ( 1.431 1.179 -4.786) 5.133 2.427 ( -3.516 -2.142 5.843) 7.148 2.427 ( -3.516 2.142 5.843) 7.148 2.566 ( -0.297 -1.730 -3.284) 3.724 2.566 ( -0.297 1.730 -3.284) 3.724 2.733 ( -1.198 -3.099 4.069) 5.253 2.733 ( -1.198 3.099 4.069) 5.253 2.835 ( -2.173 -5.298 3.807) 6.876 2.835 ( -2.173 5.298 3.807) 6.876 3.043 ( 0.961 -2.080 -1.659) 2.829 3.043 ( 0.961 2.080 -1.659) 2.829 3.095 ( 0.618 -2.262 0.435) 2.385 3.095 ( 0.618 2.262 0.435) 2.385 3.190 ( -0.746 -3.901 3.347) 5.194 3.190 ( -0.746 3.901 3.347) 5.194 3.363 ( -0.667 -4.695 -0.958) 4.838 3.363 ( -0.667 4.695 -0.958) 4.838 3.659 ( 0.278 -1.635 -1.122) 2.002 3.659 ( 0.278 1.635 -1.122) 2.002 3.990 ( 1.207 -11.112 -0.416) 11.185 3.990 ( 1.207 11.112 -0.416) 11.185 4.160 ( -0.227 -8.684 5.345) 10.199 4.160 ( -0.227 8.684 5.345) 10.199 4.469 ( 1.330 -0.540 -5.661) 5.840 4.469 ( 1.330 0.540 -5.661) 5.840 4.859 ( 0.485 -7.564 3.261) 8.251 4.859 ( 0.485 7.564 3.261) 8.251 4.971 ( 0.658 -1.680 -1.584) 2.401 4.971 ( 0.658 1.680 -1.584) 2.401 5.137 ( 3.251 -3.734 0.811) 5.017 5.137 ( 3.251 3.734 0.811) 5.017 5.306 ( 0.136 -6.408 -1.669) 6.624 5.306 ( 0.136 6.408 -1.669) 6.624 5.661 ( -2.083 -1.981 -1.851) 3.419 5.661 ( -2.083 1.981 -1.851) 3.419 6.147 ( 0.480 -0.473 -0.801) 1.047 6.147 ( 0.480 0.473 -0.801) 1.047 6.339 ( -3.026 -5.332 1.698) 6.362 6.339 ( -3.026 5.332 1.698) 6.362 6.624 ( -1.013 -11.635 2.213) 11.887 6.624 ( -1.013 11.635 2.213) 11.887 7.095 ( -4.684 -2.839 -2.492) 6.018 7.095 ( -4.684 2.839 -2.492) 6.018 7.399 ( -2.599 -2.295 -1.105) 3.640 7.399 ( -2.599 2.295 -1.105) 3.640 7.560 ( 7.509 -2.936 0.575) 8.083 7.560 ( 7.509 2.936 0.575) 8.083 7.739 ( -0.552 -0.750 2.202) 2.391 7.739 ( -0.552 0.750 2.202) 2.391 7.910 ( -2.197 -3.289 3.382) 5.204 7.910 ( -2.197 3.289 3.382) 5.204 8.295 ( -3.243 -3.754 1.655) 5.230 8.295 ( -3.243 3.754 1.655) 5.230 8.726 ( -2.786 -2.081 1.743) 3.890 8.726 ( -2.786 2.081 1.743) 3.890 9.069 ( -6.769 -9.044 1.648) 11.417 9.069 ( -6.769 9.044 1.648) 11.417 9.224 ( 1.545 -6.039 0.885) 6.296 9.224 ( 1.545 6.039 0.885) 6.296 9.593 ( -1.153 -2.287 2.143) 3.339 9.593 ( -1.153 2.287 2.143) 3.339 9.819 ( -1.733 -4.027 -5.636) 7.140 9.819 ( -1.733 4.027 -5.636) 7.140 10.037 ( 2.866 -10.832 -1.151) 11.264 10.037 ( 2.866 10.832 -1.151) 11.264 10.595 ( 7.372 -2.292 -3.087) 8.315 10.595 ( 7.372 2.292 -3.087) 8.315 11.636 ( -1.746 -1.780 4.324) 4.991 11.636 ( -1.746 1.780 4.324) 4.991 12.415 ( 0.252 -13.395 3.553) 13.861 12.415 ( 0.252 13.395 3.553) 13.861 12.594 ( -1.829 -16.158 -9.404) 18.785 12.594 ( -1.829 16.158 -9.404) 18.785 13.481 ( -1.683 -2.313 -0.699) 2.945 13.481 ( -1.683 2.313 -0.699) 2.945 13.848 ( -1.508 -2.106 2.709) 3.748 13.848 ( -1.508 2.106 2.709) 3.748 14.613 ( -0.044 -0.827 -2.995) 3.107 14.613 ( -0.044 0.827 -2.995) 3.107 14.708 ( 3.454 -0.226 -0.848) 3.564 14.708 ( 3.454 0.226 -0.848) 3.564 15.318 ( 1.249 -0.457 -1.571) 2.058 15.318 ( 1.249 0.457 -1.571) 2.058 15.932 ( -1.355 -3.640 2.382) 4.556 15.932 ( -1.355 3.640 2.382) 4.556 16.182 ( -1.934 -2.342 1.834) 3.548 16.182 ( -1.934 2.342 1.834) 3.548 16.579 ( 1.724 -6.198 -1.591) 6.627 16.579 ( 1.724 6.198 -1.591) 6.627 17.195 ( -0.251 -0.363 -0.084) 0.449 17.195 ( -0.251 0.363 -0.084) 0.449 17.652 ( -10.761 -11.787 -0.857) 15.983 17.652 ( -10.761 11.787 -0.857) 15.983 17.811 ( -3.960 -2.842 0.608) 4.912 17.811 ( -3.960 2.842 0.608) 4.912 18.333 ( 0.813 -0.448 3.313) 3.441 18.333 ( 0.813 0.448 3.313) 3.441 19.278 ( 0.753 -0.998 2.888) 3.147 19.278 ( 0.753 0.998 2.888) 3.147 19.600 ( 1.162 -1.249 -2.692) 3.187 19.600 ( 1.162 1.249 -2.692) 3.187 20.165 ( -2.961 -4.409 1.052) 5.415 20.165 ( -2.961 4.409 1.052) 5.415 20.366 ( 3.494 -1.522 0.551) 3.850 20.366 ( 3.494 1.522 0.551) 3.850 ======================= Grid point 129 (71/96) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -3.476 -3.714 4.649) 6.892 0.863 ( -3.476 3.714 4.649) 6.892 1.117 ( -0.671 -5.807 4.640) 7.464 1.117 ( -0.671 5.807 4.640) 7.464 1.246 ( -0.406 -4.793 0.307) 4.820 1.246 ( -0.406 4.793 0.307) 4.820 1.437 ( 1.575 -4.493 0.489) 4.786 1.437 ( 1.575 4.493 0.489) 4.786 1.713 ( 5.617 -2.828 3.787) 7.341 1.713 ( 5.617 2.828 3.787) 7.341 1.831 ( 1.526 -4.802 -4.584) 6.812 1.831 ( 1.526 4.802 -4.584) 6.812 1.938 ( 5.089 -4.517 -0.358) 6.814 1.938 ( 5.089 4.517 -0.358) 6.814 2.058 ( 1.591 -1.802 -3.982) 4.651 2.058 ( 1.591 1.802 -3.982) 4.651 2.403 ( -3.825 -4.769 2.545) 6.621 2.403 ( -3.825 4.769 2.545) 6.621 2.517 ( -1.918 -1.885 -2.502) 3.673 2.517 ( -1.918 1.885 -2.502) 3.673 2.722 ( -3.308 -6.558 1.972) 7.605 2.722 ( -3.308 6.558 1.972) 7.605 2.835 ( -1.393 -2.916 3.045) 4.440 2.835 ( -1.393 2.916 3.045) 4.440 3.021 ( -0.768 -2.117 -2.452) 3.329 3.021 ( -0.768 2.117 -2.452) 3.329 3.070 ( -3.309 -1.846 1.885) 4.232 3.070 ( -3.309 1.846 1.885) 4.232 3.244 ( 1.764 -1.152 0.223) 2.119 3.244 ( 1.764 1.152 0.223) 2.119 3.376 ( 2.526 -5.105 1.177) 5.816 3.376 ( 2.526 5.105 1.177) 5.816 3.674 ( 1.776 -0.871 -0.145) 1.984 3.674 ( 1.776 0.871 -0.145) 1.984 3.992 ( 0.094 -10.891 -1.381) 10.979 3.992 ( 0.094 10.891 -1.381) 10.979 4.185 ( -0.665 -7.073 1.504) 7.261 4.185 ( -0.665 7.073 1.504) 7.261 4.466 ( 2.687 -0.604 -2.085) 3.454 4.466 ( 2.687 0.604 -2.085) 3.454 4.889 ( 0.190 -10.940 1.377) 11.028 4.889 ( 0.190 10.940 1.377) 11.028 4.983 ( 2.157 -1.119 0.317) 2.450 4.983 ( 2.157 1.119 0.317) 2.450 5.177 ( 1.814 -1.183 -2.670) 3.438 5.177 ( 1.814 1.183 -2.670) 3.438 5.328 ( 2.473 -2.038 1.872) 3.711 5.328 ( 2.473 2.038 1.872) 3.711 5.612 ( -2.984 -1.549 0.959) 3.496 5.612 ( -2.984 1.549 0.959) 3.496 6.157 ( 0.888 -0.666 0.162) 1.122 6.157 ( 0.888 0.666 0.162) 1.122 6.309 ( -2.274 -3.605 1.258) 4.444 6.309 ( -2.274 3.605 1.258) 4.444 6.618 ( -2.486 -12.162 2.411) 12.645 6.618 ( -2.486 12.162 2.411) 12.645 6.994 ( -4.519 -2.705 -1.363) 5.440 6.994 ( -4.519 2.705 -1.363) 5.440 7.350 ( -1.953 -3.199 -1.241) 3.948 7.350 ( -1.953 3.199 -1.241) 3.948 7.679 ( 6.061 -4.537 -0.604) 7.595 7.679 ( 6.061 4.537 -0.604) 7.595 7.741 ( -2.345 -0.793 3.016) 3.902 7.741 ( -2.345 0.793 3.016) 3.902 7.917 ( -1.049 -3.427 3.699) 5.151 7.917 ( -1.049 3.427 3.699) 5.151 8.259 ( -2.743 -3.090 2.135) 4.651 8.259 ( -2.743 3.090 2.135) 4.651 8.691 ( -3.313 -1.705 1.879) 4.173 8.691 ( -3.313 1.705 1.879) 4.173 8.976 ( -5.988 -9.100 1.781) 11.038 8.976 ( -5.988 9.100 1.781) 11.038 9.238 ( -1.117 -5.487 1.160) 5.718 9.238 ( -1.117 5.487 1.160) 5.718 9.610 ( -0.033 -3.715 3.640) 5.201 9.610 ( -0.033 3.715 3.640) 5.201 9.745 ( -0.524 -4.642 -5.438) 7.169 9.745 ( -0.524 4.642 -5.438) 7.169 10.069 ( 2.795 -9.769 -2.469) 10.456 10.069 ( 2.795 9.769 -2.469) 10.456 10.706 ( 7.861 -1.699 -1.688) 8.218 10.706 ( 7.861 1.699 -1.688) 8.218 11.634 ( -2.020 -2.333 1.830) 3.587 11.634 ( -2.020 2.333 1.830) 3.587 12.402 ( -2.039 -12.903 -2.883) 13.377 12.402 ( -2.039 12.903 -2.883) 13.377 12.527 ( -0.841 -15.402 -0.147) 15.426 12.527 ( -0.841 15.402 -0.147) 15.426 13.450 ( -1.448 -2.437 -0.128) 2.838 13.450 ( -1.448 2.437 -0.128) 2.838 13.851 ( -1.560 -2.224 3.210) 4.205 13.851 ( -1.560 2.224 3.210) 4.205 14.584 ( -0.040 -0.529 -2.458) 2.515 14.584 ( -0.040 0.529 -2.458) 2.515 14.760 ( 3.841 -1.738 -1.527) 4.484 14.760 ( 3.841 1.738 -1.527) 4.484 15.327 ( 1.799 -0.167 -1.648) 2.446 15.327 ( 1.799 0.167 -1.648) 2.446 15.937 ( -1.018 -4.301 2.871) 5.270 15.937 ( -1.018 4.301 2.871) 5.270 16.178 ( -1.054 -2.646 2.364) 3.701 16.178 ( -1.054 2.646 2.364) 3.701 16.586 ( 1.217 -6.534 -2.227) 7.009 16.586 ( 1.217 6.534 -2.227) 7.009 17.186 ( -0.578 -0.873 -0.189) 1.064 17.186 ( -0.578 0.873 -0.189) 1.064 17.442 ( -14.437 -18.494 4.751) 23.938 17.442 ( -14.437 18.494 4.751) 23.938 17.779 ( -0.927 -1.452 -0.596) 1.823 17.779 ( -0.927 1.452 -0.596) 1.823 18.369 ( -0.875 -1.747 2.997) 3.578 18.369 ( -0.875 1.747 2.997) 3.578 19.322 ( 0.485 -0.798 1.982) 2.191 19.322 ( 0.485 0.798 1.982) 2.191 19.568 ( -0.579 -1.621 -3.320) 3.740 19.568 ( -0.579 1.621 -3.320) 3.740 20.134 ( -1.035 -5.460 0.187) 5.561 20.134 ( -1.035 5.460 0.187) 5.561 20.421 ( 2.635 -0.745 -0.272) 2.752 20.421 ( 2.635 0.745 -0.272) 2.752 ======================= Grid point 131 (72/96) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.587 -4.132 3.969) 5.759 0.882 ( 0.587 4.132 3.969) 5.759 1.103 ( -1.325 -4.898 -0.140) 5.076 1.103 ( -1.325 4.898 -0.140) 5.076 1.277 ( 0.381 -5.655 3.367) 6.592 1.277 ( 0.381 5.655 3.367) 6.592 1.470 ( 1.686 -4.162 0.990) 4.598 1.470 ( 1.686 4.162 0.990) 4.598 1.763 ( 2.411 -7.050 -4.725) 8.823 1.763 ( 2.411 7.050 -4.725) 8.823 1.935 ( 2.653 -5.772 9.394) 11.340 1.935 ( 2.653 5.772 9.394) 11.340 1.979 ( 2.922 -5.812 -1.776) 6.743 1.979 ( 2.922 5.812 -1.776) 6.743 2.073 ( 4.349 -1.641 -2.429) 5.245 2.073 ( 4.349 1.641 -2.429) 5.245 2.363 ( -2.234 -6.725 0.354) 7.095 2.363 ( -2.234 6.725 0.354) 7.095 2.468 ( -0.929 -2.587 -2.033) 3.419 2.468 ( -0.929 2.587 -2.033) 3.419 2.684 ( -3.673 -8.850 2.891) 10.009 2.684 ( -3.673 8.850 2.891) 10.009 2.830 ( -1.589 -1.285 0.633) 2.139 2.830 ( -1.589 1.285 0.633) 2.139 2.968 ( -5.225 -1.766 1.733) 5.781 2.968 ( -5.225 1.766 1.733) 5.781 3.053 ( -0.324 -1.973 0.871) 2.181 3.053 ( -0.324 1.973 0.871) 2.181 3.232 ( -0.856 -3.521 -2.906) 4.645 3.232 ( -0.856 3.521 -2.906) 4.645 3.434 ( 3.562 -5.536 -2.031) 6.889 3.434 ( 3.562 5.536 -2.031) 6.889 3.704 ( 2.468 -0.970 -1.281) 2.945 3.704 ( 2.468 0.970 -1.281) 2.945 3.960 ( -2.445 -8.119 -1.753) 8.659 3.960 ( -2.445 8.119 -1.753) 8.659 4.180 ( 0.081 -7.168 -0.370) 7.178 4.180 ( 0.081 7.168 -0.370) 7.178 4.508 ( 2.909 -3.457 0.099) 4.519 4.508 ( 2.909 3.457 0.099) 4.519 4.897 ( -0.240 -12.137 1.037) 12.184 4.897 ( -0.240 12.137 1.037) 12.184 5.042 ( 3.139 -2.504 1.710) 4.364 5.042 ( 3.139 2.504 1.710) 4.364 5.170 ( 1.759 -4.021 -3.021) 5.328 5.170 ( 1.759 4.021 -3.021) 5.328 5.391 ( 1.885 -4.148 2.034) 4.990 5.391 ( 1.885 4.148 2.034) 4.990 5.588 ( -2.617 -1.067 4.249) 5.103 5.588 ( -2.617 1.067 4.249) 5.103 6.176 ( 0.650 -0.935 0.898) 1.450 6.176 ( 0.650 0.935 0.898) 1.450 6.288 ( -1.259 -2.230 0.561) 2.622 6.288 ( -1.259 2.230 0.561) 2.622 6.589 ( -3.166 -11.214 1.751) 11.783 6.589 ( -3.166 11.214 1.751) 11.783 6.930 ( -2.449 -2.108 0.289) 3.244 6.930 ( -2.449 2.108 0.289) 3.244 7.315 ( -0.767 -3.721 -0.970) 3.921 7.315 ( -0.767 3.721 -0.970) 3.921 7.705 ( -3.067 -2.728 1.791) 4.478 7.705 ( -3.067 2.728 1.791) 4.478 7.755 ( 1.930 -2.511 -0.013) 3.167 7.755 ( 1.930 2.511 -0.013) 3.167 7.937 ( -0.765 -2.660 3.303) 4.309 7.937 ( -0.765 2.660 3.303) 4.309 8.255 ( -0.788 -2.111 3.168) 3.888 8.255 ( -0.788 2.111 3.168) 3.888 8.655 ( -2.644 -1.693 1.078) 3.319 8.655 ( -2.644 1.693 1.078) 3.319 8.913 ( -4.042 -9.653 2.831) 10.841 8.913 ( -4.042 9.653 2.831) 10.841 9.215 ( -2.801 -4.665 1.510) 5.647 9.215 ( -2.801 4.665 1.510) 5.647 9.660 ( 1.058 -5.090 4.725) 7.025 9.660 ( 1.058 5.090 4.725) 7.025 9.698 ( 1.271 -3.597 -5.757) 6.907 9.698 ( 1.271 3.597 -5.757) 6.907 10.081 ( 1.612 -8.643 -2.750) 9.212 10.081 ( 1.612 8.643 -2.750) 9.212 10.806 ( 5.714 -1.695 -1.731) 6.207 10.806 ( 5.714 1.695 -1.731) 6.207 11.604 ( -2.250 -2.449 -0.754) 3.411 11.604 ( -2.250 2.449 -0.754) 3.411 12.345 ( -0.402 -15.819 -3.248) 16.155 12.345 ( -0.402 15.819 -3.248) 16.155 12.511 ( -2.392 -17.167 1.048) 17.364 12.511 ( -2.392 17.167 1.048) 17.364 13.432 ( -0.730 -2.600 0.130) 2.704 13.432 ( -0.730 2.600 0.130) 2.704 13.857 ( -1.648 -1.945 3.532) 4.356 13.857 ( -1.648 1.945 3.532) 4.356 14.569 ( 0.701 -0.508 -1.788) 1.987 14.569 ( 0.701 0.508 -1.788) 1.987 14.802 ( 3.152 -2.584 -2.084) 4.577 14.802 ( 3.152 2.584 -2.084) 4.577 15.351 ( 2.477 -0.329 -0.903) 2.657 15.351 ( 2.477 0.329 -0.903) 2.657 15.954 ( -0.585 -5.179 3.470) 6.262 15.954 ( -0.585 5.179 3.470) 6.262 16.185 ( -0.767 -2.096 1.817) 2.878 16.185 ( -0.767 2.096 1.817) 2.878 16.572 ( 0.242 -6.977 -3.444) 7.785 16.572 ( 0.242 6.977 -3.444) 7.785 17.175 ( -1.027 -3.980 0.862) 4.200 17.175 ( -1.027 3.980 0.862) 4.200 17.294 ( -10.186 -16.702 8.056) 21.157 17.294 ( -10.186 16.702 8.056) 21.157 17.762 ( -0.476 -2.186 -0.362) 2.266 17.762 ( -0.476 2.186 -0.362) 2.266 18.351 ( -3.304 -4.027 0.452) 5.229 18.351 ( -3.304 4.027 0.452) 5.229 19.291 ( -2.750 -3.095 -4.034) 5.781 19.291 ( -2.750 3.095 -4.034) 5.781 19.564 ( 1.332 -1.406 1.775) 2.627 19.564 ( 1.332 1.406 1.775) 2.627 20.131 ( 0.377 -4.980 -0.358) 5.007 20.131 ( 0.377 4.980 -0.358) 5.007 20.444 ( 1.147 -0.997 -1.495) 2.132 20.444 ( 1.147 0.997 -1.495) 2.132 ======================= Grid point 133 (73/96) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 1.641 -4.390 4.538) 6.524 0.947 ( 1.641 4.390 4.538) 6.523 1.095 ( 1.351 -3.929 -1.016) 4.277 1.095 ( 1.351 3.929 -1.016) 4.277 1.301 ( -0.941 -5.531 1.935) 5.935 1.301 ( -0.941 5.531 1.935) 5.935 1.522 ( 3.237 -3.296 1.634) 4.900 1.522 ( 3.237 3.296 1.634) 4.900 1.765 ( 0.831 -6.449 -1.467) 6.666 1.765 ( 0.831 6.449 -1.467) 6.666 1.899 ( -2.913 -1.865 -1.079) 3.623 1.899 ( -2.913 1.865 -1.079) 3.623 2.099 ( 1.100 -1.224 0.287) 1.671 2.099 ( 1.100 1.224 0.287) 1.671 2.159 ( 4.906 -6.053 7.093) 10.537 2.159 ( 4.906 6.053 7.093) 10.537 2.350 ( 2.090 -4.508 -1.580) 5.214 2.350 ( 2.090 4.508 -1.580) 5.214 2.452 ( 2.199 -3.705 -3.501) 5.552 2.452 ( 2.199 3.705 -3.501) 5.552 2.659 ( -3.905 -8.156 5.196) 10.429 2.659 ( -3.905 8.156 5.196) 10.429 2.800 ( -1.621 -1.626 -0.897) 2.464 2.800 ( -1.621 1.626 -0.897) 2.464 2.883 ( -7.067 -2.770 2.701) 8.057 2.883 ( -7.067 2.770 2.701) 8.057 3.060 ( -0.649 -1.708 1.581) 2.416 3.060 ( -0.649 1.708 1.581) 2.416 3.175 ( -1.384 -4.343 -4.500) 6.405 3.175 ( -1.384 4.343 -4.500) 6.405 3.441 ( 2.311 -2.929 -6.458) 7.458 3.441 ( 2.311 2.929 -6.458) 7.458 3.730 ( 1.777 -1.334 -1.252) 2.550 3.730 ( 1.777 1.334 -1.252) 2.550 3.881 ( -3.466 -5.200 -3.353) 7.092 3.881 ( -3.466 5.200 -3.353) 7.092 4.196 ( 0.635 -7.975 2.300) 8.325 4.196 ( 0.635 7.975 2.300) 8.325 4.545 ( 1.705 -5.296 -1.096) 5.671 4.545 ( 1.705 5.296 -1.096) 5.671 4.899 ( -1.695 -12.151 2.277) 12.478 4.899 ( -1.695 12.151 2.277) 12.478 5.105 ( 3.646 -4.967 -0.525) 6.183 5.105 ( 3.646 4.967 -0.525) 6.183 5.200 ( 2.824 -3.876 1.175) 4.937 5.200 ( 2.824 3.876 1.175) 4.937 5.417 ( 0.181 -5.525 0.175) 5.531 5.417 ( 0.181 5.525 0.175) 5.531 5.601 ( -1.948 -2.107 5.634) 6.322 5.601 ( -1.948 2.107 5.634) 6.322 6.191 ( -0.254 -1.300 1.490) 1.993 6.191 ( -0.254 1.300 1.490) 1.993 6.280 ( 0.327 -2.813 -0.311) 2.849 6.280 ( 0.327 2.813 -0.311) 2.849 6.555 ( -2.198 -9.247 1.006) 9.558 6.555 ( -2.198 9.247 1.006) 9.558 6.914 ( -0.591 -1.668 1.258) 2.171 6.914 ( -0.591 1.668 1.258) 2.171 7.309 ( 0.540 -2.784 -0.007) 2.836 7.309 ( 0.540 2.784 -0.007) 2.836 7.663 ( -4.421 -1.307 2.915) 5.454 7.663 ( -4.421 1.307 2.915) 5.454 7.766 ( 0.954 -4.078 -2.078) 4.675 7.766 ( 0.954 4.078 -2.078) 4.675 7.956 ( -0.277 -1.905 2.376) 3.058 7.956 ( -0.277 1.905 2.376) 3.058 8.283 ( -0.674 -0.745 4.663) 4.770 8.283 ( -0.674 0.745 4.663) 4.770 8.626 ( -1.268 -2.167 -0.155) 2.516 8.626 ( -1.268 2.167 -0.155) 2.516 8.894 ( -2.147 -9.596 3.644) 10.487 8.894 ( -2.147 9.596 3.644) 10.487 9.183 ( -3.058 -3.390 2.394) 5.155 9.183 ( -3.058 3.390 2.394) 5.155 9.670 ( 2.705 -1.999 -6.872) 7.652 9.670 ( 2.705 1.999 -6.872) 7.652 9.735 ( 1.534 -5.825 5.743) 8.323 9.735 ( 1.534 5.825 5.743) 8.323 10.071 ( 0.044 -8.257 -2.077) 8.514 10.071 ( 0.044 8.257 -2.077) 8.514 10.859 ( 3.268 -1.992 -2.749) 4.712 10.859 ( 3.268 1.992 -2.749) 4.712 11.546 ( -2.730 -2.337 -2.558) 4.411 11.546 ( -2.730 2.337 -2.558) 4.411 12.334 ( 1.914 -16.679 -1.739) 16.878 12.334 ( 1.914 16.679 -1.739) 16.878 12.464 ( -3.169 -18.135 -0.676) 18.422 12.464 ( -3.169 18.135 -0.676) 18.422 13.427 ( 0.010 -2.438 0.078) 2.440 13.427 ( 0.010 2.438 0.078) 2.440 13.863 ( -1.679 -1.794 3.457) 4.241 13.863 ( -1.679 1.794 3.457) 4.241 14.573 ( 1.416 -0.450 -1.223) 1.925 14.573 ( 1.416 0.450 -1.223) 1.925 14.823 ( 1.923 -2.580 -2.274) 3.941 14.823 ( 1.923 2.580 -2.274) 3.941 15.389 ( 2.482 -0.262 -0.081) 2.497 15.389 ( 2.482 0.262 -0.081) 2.497 15.985 ( -0.048 -6.585 4.037) 7.724 15.985 ( -0.048 6.585 4.037) 7.724 16.178 ( -1.586 -1.732 0.501) 2.401 16.178 ( -1.586 1.732 0.501) 2.401 16.529 ( -0.737 -6.928 -4.177) 8.123 16.529 ( -0.737 6.928 -4.177) 8.123 17.182 ( -0.341 -6.790 3.562) 7.675 17.182 ( -0.341 6.790 3.562) 7.675 17.252 ( -4.776 -11.701 8.443) 15.199 17.252 ( -4.776 11.701 8.443) 15.199 17.760 ( 0.073 -3.323 0.886) 3.439 17.760 ( 0.073 3.323 0.886) 3.439 18.269 ( -4.407 -6.460 -3.703) 8.653 18.269 ( -4.407 6.460 -3.703) 8.653 19.197 ( -2.202 -3.599 -5.258) 6.742 19.197 ( -2.202 3.599 -5.258) 6.742 19.623 ( 1.991 -0.806 3.691) 4.271 19.623 ( 1.991 0.806 3.691) 4.271 20.130 ( 0.069 -4.386 -0.874) 4.473 20.130 ( 0.069 4.386 -0.874) 4.473 20.434 ( 0.016 -1.925 -2.469) 3.131 20.434 ( 0.016 1.925 -2.469) 3.131 ======================= Grid point 135 (74/96) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -1.598 -4.971 4.212) 6.708 0.993 ( -1.598 4.971 4.212) 6.708 1.138 ( 4.699 -1.807 -1.949) 5.399 1.138 ( 4.699 1.807 -1.949) 5.399 1.289 ( -1.185 -4.370 1.466) 4.759 1.289 ( -1.185 4.370 1.466) 4.759 1.591 ( 3.097 -1.876 -1.163) 3.803 1.591 ( 3.097 1.876 -1.163) 3.803 1.743 ( -3.351 -4.738 3.139) 6.598 1.743 ( -3.351 4.738 3.139) 6.598 1.876 ( -0.492 -4.809 1.122) 4.963 1.876 ( -0.492 4.809 1.122) 4.963 2.104 ( 0.811 -2.973 -0.436) 3.112 2.104 ( 0.811 2.973 -0.436) 3.112 2.214 ( -1.224 -7.064 -1.208) 7.270 2.214 ( -1.224 7.064 -1.208) 7.270 2.402 ( 2.017 -3.666 0.880) 4.275 2.402 ( 2.017 3.666 0.880) 4.275 2.492 ( 5.598 -1.292 -1.284) 5.887 2.492 ( 5.598 1.292 -1.284) 5.887 2.650 ( -3.390 -3.752 4.810) 6.979 2.650 ( -3.390 3.752 4.810) 6.979 2.759 ( -1.278 -1.804 -1.408) 2.622 2.759 ( -1.278 1.804 -1.408) 2.622 2.824 ( -2.923 -3.425 4.369) 6.274 2.824 ( -2.923 3.425 4.369) 6.274 3.038 ( -4.226 -4.908 0.534) 6.498 3.038 ( -4.226 4.908 0.534) 6.498 3.131 ( 1.740 -2.500 -2.674) 4.053 3.131 ( 1.740 2.500 -2.674) 4.053 3.402 ( 1.942 -0.375 -8.233) 8.467 3.402 ( 1.942 0.375 -8.233) 8.467 3.704 ( -5.274 -6.158 0.756) 8.143 3.704 ( -5.274 6.158 0.756) 8.143 3.828 ( 2.492 -3.181 -4.163) 5.802 3.828 ( 2.492 3.181 -4.163) 5.802 4.226 ( -1.460 -7.352 4.074) 8.531 4.226 ( -1.460 7.352 4.074) 8.531 4.546 ( 0.573 -4.545 -1.870) 4.948 4.546 ( 0.573 4.545 -1.870) 4.948 4.884 ( -2.461 -10.152 2.263) 10.689 4.884 ( -2.461 10.152 2.263) 10.689 5.148 ( 1.730 -7.494 -0.672) 7.720 5.148 ( 1.730 7.494 -0.672) 7.720 5.268 ( 3.351 -3.854 1.253) 5.259 5.268 ( 3.351 3.854 1.253) 5.259 5.415 ( -0.267 -4.867 -0.160) 4.877 5.415 ( -0.267 4.867 -0.160) 4.877 5.623 ( -1.334 -1.880 4.905) 5.420 5.623 ( -1.334 1.880 4.905) 5.420 6.197 ( -0.629 -1.392 1.522) 2.156 6.197 ( -0.629 1.392 1.522) 2.156 6.294 ( 1.945 -3.034 -0.917) 3.719 6.294 ( 1.945 3.034 -0.917) 3.719 6.540 ( -0.442 -7.648 0.604) 7.684 6.540 ( -0.442 7.648 0.604) 7.684 6.928 ( 0.896 -1.013 0.970) 1.664 6.928 ( 0.896 1.013 0.970) 1.664 7.322 ( 0.057 -0.374 0.591) 0.702 7.322 ( 0.057 0.374 0.591) 0.702 7.618 ( -4.295 -0.227 3.430) 5.501 7.618 ( -4.295 0.227 3.430) 5.501 7.771 ( 3.495 -2.980 -3.468) 5.755 7.771 ( 3.495 2.980 -3.468) 5.755 7.967 ( -0.912 -2.926 1.775) 3.542 7.967 ( -0.912 2.926 1.775) 3.542 8.313 ( -2.091 -0.945 6.029) 6.451 8.313 ( -2.091 0.945 6.029) 6.451 8.612 ( 0.235 -2.826 -0.872) 2.967 8.612 ( 0.235 2.826 -0.872) 2.967 8.906 ( -0.503 -9.569 3.503) 10.203 8.906 ( -0.503 9.569 3.503) 10.203 9.164 ( -2.634 -2.231 3.639) 5.015 9.164 ( -2.634 2.231 3.639) 5.015 9.651 ( 3.272 -0.938 -7.772) 8.485 9.651 ( 3.272 0.938 -7.772) 8.485 9.815 ( 1.807 -5.755 4.267) 7.389 9.815 ( 1.807 5.755 4.267) 7.389 10.049 ( -1.310 -7.755 0.382) 7.874 10.049 ( -1.310 7.755 0.382) 7.874 10.866 ( 1.632 -2.420 -4.088) 5.023 10.866 ( 1.632 2.420 -4.088) 5.023 11.472 ( -3.106 -2.386 -2.003) 4.399 11.472 ( -3.106 2.386 -2.003) 4.399 12.363 ( 1.239 -13.683 -0.900) 13.769 12.363 ( 1.239 13.683 -0.900) 13.769 12.412 ( 0.353 -16.557 -1.693) 16.647 12.412 ( 0.353 16.557 -1.693) 16.647 13.434 ( 0.982 -1.931 -0.208) 2.177 13.434 ( 0.982 1.931 -0.208) 2.177 13.867 ( -1.675 -1.611 3.229) 3.978 13.867 ( -1.675 1.611 3.229) 3.978 14.588 ( 1.624 -0.646 -1.283) 2.168 14.588 ( 1.624 0.646 -1.283) 2.168 14.822 ( 0.424 -1.834 -2.030) 2.768 14.822 ( 0.424 1.834 -2.030) 2.768 15.423 ( 1.493 -0.444 -0.236) 1.575 15.423 ( 1.493 0.444 -0.236) 1.575 16.027 ( -0.094 -7.340 4.459) 8.589 16.027 ( -0.094 7.340 4.459) 8.589 16.145 ( -2.044 -1.223 -0.300) 2.400 16.145 ( -2.044 1.223 -0.300) 2.400 16.482 ( -0.216 -6.766 -3.433) 7.591 16.482 ( -0.216 6.766 -3.433) 7.591 17.207 ( -1.135 -2.478 2.787) 3.898 17.207 ( -1.135 2.478 2.787) 3.898 17.304 ( 1.271 -12.078 9.028) 15.132 17.304 ( 1.271 12.078 9.028) 15.132 17.786 ( 0.890 -5.440 3.368) 6.459 17.786 ( 0.890 5.440 3.368) 6.459 18.147 ( -3.486 -8.539 -7.336) 11.785 18.147 ( -3.486 8.539 -7.336) 11.785 19.128 ( -1.223 -2.374 -3.317) 4.258 19.128 ( -1.223 2.374 -3.317) 4.258 19.690 ( 2.242 -0.149 2.643) 3.469 19.690 ( 2.242 0.149 2.643) 3.469 20.117 ( -0.620 -3.492 -0.799) 3.635 20.117 ( -0.620 3.492 -0.799) 3.635 20.405 ( -0.447 -2.040 -2.497) 3.255 20.405 ( -0.447 2.040 -2.497) 3.255 ======================= Grid point 137 (75/96) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -3.059 -4.978 2.604) 6.397 0.983 ( -3.059 4.978 2.604) 6.397 1.153 ( -1.658 -3.904 -0.030) 4.242 1.153 ( -1.658 3.904 -0.030) 4.242 1.345 ( 6.559 -2.186 0.223) 6.918 1.345 ( 6.559 2.186 0.223) 6.918 1.557 ( -4.283 -3.053 -2.271) 5.730 1.557 ( -4.283 3.053 -2.271) 5.730 1.735 ( -1.319 -4.394 0.180) 4.591 1.735 ( -1.319 4.394 0.180) 4.591 1.892 ( -0.846 -1.859 6.071) 6.405 1.892 ( -0.846 1.859 6.071) 6.405 2.094 ( -1.828 -5.193 -2.626) 6.100 2.094 ( -1.828 5.193 -2.626) 6.100 2.198 ( 4.509 -4.954 -4.145) 7.877 2.198 ( 4.509 4.954 -4.145) 7.877 2.395 ( -3.557 -4.942 1.194) 6.205 2.395 ( -3.557 4.942 1.194) 6.205 2.538 ( -0.169 -0.305 0.114) 0.367 2.538 ( -0.169 0.305 0.114) 0.367 2.646 ( -1.679 -0.956 2.343) 3.037 2.646 ( -1.679 0.956 2.343) 3.037 2.765 ( 2.339 -4.315 -0.085) 4.909 2.765 ( 2.339 4.315 -0.085) 4.909 2.866 ( 2.538 -7.205 4.286) 8.759 2.866 ( 2.538 7.205 4.286) 8.759 2.958 ( -4.662 -5.653 0.891) 7.382 2.958 ( -4.662 5.653 0.891) 7.382 3.184 ( 5.300 -1.087 0.684) 5.453 3.184 ( 5.300 1.087 0.684) 5.453 3.361 ( 2.186 -1.296 -7.175) 7.611 3.361 ( 2.186 1.296 -7.175) 7.611 3.608 ( -6.560 -8.416 1.737) 10.811 3.608 ( -6.560 8.416 1.737) 10.811 3.855 ( 3.414 -4.937 -1.870) 6.287 3.855 ( 3.414 4.937 -1.870) 6.287 4.209 ( -4.605 -6.605 3.035) 8.605 4.209 ( -4.605 6.605 3.035) 8.605 4.537 ( -0.024 -2.997 -0.856) 3.117 4.537 ( -0.024 2.997 -0.856) 3.117 4.864 ( -2.423 -8.659 2.016) 9.215 4.864 ( -2.423 8.659 2.016) 9.215 5.145 ( -1.253 -6.065 -0.382) 6.204 5.145 ( -1.253 6.065 -0.382) 6.204 5.316 ( 3.393 -7.703 -4.902) 9.741 5.316 ( 3.393 7.703 -4.902) 9.741 5.403 ( -2.426 -1.518 3.294) 4.364 5.403 ( -2.426 1.518 3.294) 4.364 5.661 ( 1.096 -0.666 3.601) 3.822 5.661 ( 1.096 0.666 3.601) 3.822 6.201 ( -0.376 -1.446 0.920) 1.755 6.201 ( -0.376 1.446 0.920) 1.755 6.325 ( 2.492 -3.795 -0.485) 4.566 6.325 ( 2.492 3.795 -0.485) 4.566 6.550 ( 1.312 -6.778 -0.208) 6.907 6.550 ( 1.312 6.778 -0.208) 6.907 6.959 ( 2.210 -1.409 -0.073) 2.622 6.959 ( 2.210 1.409 -0.073) 2.622 7.306 ( -2.149 -4.505 -0.176) 4.995 7.306 ( -2.149 4.505 -0.176) 4.995 7.600 ( -1.778 -1.212 3.647) 4.234 7.600 ( -1.778 1.212 3.647) 4.234 7.821 ( 5.939 -3.644 -3.281) 7.701 7.821 ( 5.939 3.644 -3.281) 7.701 7.956 ( -2.252 -4.601 1.555) 5.353 7.956 ( -2.252 4.601 1.555) 5.353 8.324 ( -3.650 -1.323 6.277) 7.381 8.324 ( -3.650 1.323 6.277) 7.381 8.617 ( 1.458 -3.180 -0.990) 3.636 8.617 ( 1.458 3.180 -0.990) 3.636 8.945 ( 1.529 -9.475 2.719) 9.975 8.945 ( 1.529 9.475 2.719) 9.975 9.164 ( -2.472 -2.729 5.101) 6.291 9.164 ( -2.472 2.729 5.101) 6.291 9.629 ( 2.989 -0.054 -7.570) 8.139 9.629 ( 2.989 0.054 -7.570) 8.139 9.857 ( 1.623 -3.690 -2.045) 4.520 9.857 ( 1.623 3.690 -2.045) 4.520 10.050 ( -1.543 -4.094 5.214) 6.806 10.050 ( -1.543 4.094 5.214) 6.806 10.840 ( 0.650 -3.238 -5.195) 6.156 10.840 ( 0.650 3.238 -5.195) 6.156 11.418 ( -2.704 -2.303 1.644) 3.914 11.418 ( -2.704 2.303 1.644) 3.914 12.326 ( -1.756 -16.941 -1.964) 17.145 12.326 ( -1.756 16.941 -1.964) 17.145 12.481 ( 7.032 -20.466 -0.856) 21.657 12.481 ( 7.032 20.466 -0.856) 21.657 13.455 ( 1.986 -1.225 -0.678) 2.430 13.455 ( 1.986 1.225 -0.678) 2.430 13.871 ( -1.443 -1.173 3.135) 3.645 13.871 ( -1.443 1.173 3.135) 3.645 14.599 ( 1.561 -1.319 -1.952) 2.826 14.599 ( 1.561 1.319 -1.952) 2.826 14.799 ( -1.056 -0.490 -1.624) 1.998 14.799 ( -1.056 0.490 -1.624) 1.998 15.427 ( -0.253 -1.143 -1.361) 1.795 15.427 ( -0.253 1.143 -1.361) 1.795 16.044 ( -2.481 -3.940 2.792) 5.429 16.044 ( -2.481 3.940 2.792) 5.429 16.137 ( 0.805 -4.061 2.043) 4.616 16.137 ( 0.805 4.061 2.043) 4.616 16.460 ( 0.864 -6.429 -2.379) 6.910 16.460 ( 0.864 6.429 -2.379) 6.910 17.201 ( -1.687 -2.227 1.428) 3.137 17.201 ( -1.687 2.227 1.428) 3.137 17.438 ( 5.290 -7.404 5.835) 10.810 17.438 ( 5.290 7.404 5.835) 10.810 17.862 ( 2.178 -8.705 6.891) 11.314 17.862 ( 2.178 8.705 6.891) 11.314 18.033 ( -0.731 -8.568 -7.343) 11.308 18.033 ( -0.731 8.568 -7.343) 11.308 19.087 ( -1.193 -0.638 -1.269) 1.855 19.087 ( -1.193 0.638 -1.269) 1.855 19.738 ( 1.620 -1.579 -0.128) 2.266 19.738 ( 1.620 1.579 -0.128) 2.266 20.100 ( -0.787 -1.963 0.119) 2.118 20.100 ( -0.787 1.963 0.119) 2.118 20.379 ( -0.365 -1.604 -1.224) 2.050 20.379 ( -0.365 1.604 -1.224) 2.050 ======================= Grid point 139 (76/96) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -4.278 -4.590 1.674) 6.494 0.944 ( -4.278 4.590 1.674) 6.494 1.122 ( -3.533 -2.634 3.478) 5.614 1.122 ( -3.533 2.634 3.478) 5.614 1.432 ( -1.866 -4.860 -2.731) 5.879 1.432 ( -1.866 4.860 -2.731) 5.879 1.472 ( 3.678 -1.339 -2.352) 4.567 1.472 ( 3.678 1.339 -2.352) 4.567 1.696 ( -2.321 -3.205 -0.077) 3.958 1.696 ( -2.321 3.205 -0.077) 3.958 1.951 ( 1.184 -2.523 3.311) 4.328 1.951 ( 1.184 2.523 3.311) 4.328 2.024 ( -1.550 -1.269 -4.472) 4.901 2.024 ( -1.550 1.269 -4.472) 4.901 2.223 ( -1.745 -4.249 0.675) 4.642 2.223 ( -1.745 4.249 0.675) 4.642 2.358 ( 0.501 -4.377 -0.162) 4.408 2.358 ( 0.501 4.377 -0.162) 4.408 2.520 ( 0.053 -1.553 -3.004) 3.382 2.520 ( 0.053 1.553 -3.004) 3.382 2.606 ( -5.005 -3.547 2.248) 6.533 2.606 ( -5.005 3.547 2.248) 6.533 2.813 ( 2.180 -3.132 0.984) 3.941 2.813 ( 2.180 3.132 0.984) 3.941 2.915 ( -1.622 -4.051 2.840) 5.207 2.915 ( -1.622 4.051 2.840) 5.207 2.971 ( 3.572 -7.629 4.269) 9.444 2.971 ( 3.572 7.629 4.269) 9.444 3.290 ( 5.656 -3.433 -3.092) 7.303 3.290 ( 5.656 3.433 -3.092) 7.303 3.341 ( 1.304 -2.449 -1.284) 3.058 3.341 ( 1.304 2.449 -1.284) 3.058 3.555 ( -1.134 -5.685 3.471) 6.757 3.555 ( -1.134 5.685 3.471) 6.757 3.893 ( 1.855 -2.314 0.188) 2.972 3.893 ( 1.855 2.314 0.188) 2.972 4.143 ( -5.531 -6.828 1.569) 8.926 4.143 ( -5.531 6.828 1.569) 8.926 4.530 ( -0.468 -2.436 0.467) 2.524 4.530 ( -0.468 2.436 0.467) 2.524 4.840 ( -2.561 -7.698 1.669) 8.283 4.840 ( -2.561 7.698 1.669) 8.283 5.105 ( -2.884 -1.848 -0.760) 3.509 5.105 ( -2.884 1.848 -0.760) 3.509 5.274 ( -0.016 -4.941 -7.575) 9.044 5.274 ( -0.016 4.941 -7.575) 9.044 5.412 ( -1.664 -0.765 4.136) 4.523 5.412 ( -1.664 0.765 4.136) 4.523 5.715 ( 2.234 -2.217 0.934) 3.283 5.715 ( 2.234 2.217 0.934) 3.283 6.201 ( -0.318 -0.925 0.257) 1.011 6.201 ( -0.318 0.925 0.257) 1.011 6.363 ( 1.730 -5.525 0.744) 5.837 6.363 ( 1.730 5.525 0.744) 5.837 6.573 ( 2.151 -6.614 -1.445) 7.104 6.573 ( 2.151 6.614 -1.445) 7.104 7.001 ( 3.647 -3.664 -1.204) 5.308 7.001 ( 3.647 3.664 -1.204) 5.308 7.268 ( -1.343 -6.860 -0.197) 6.993 7.268 ( -1.343 6.860 -0.197) 6.993 7.618 ( -0.456 -2.753 3.392) 4.392 7.618 ( -0.456 2.753 3.392) 4.392 7.864 ( 1.198 -3.606 -3.657) 5.274 7.864 ( 1.198 3.606 -3.657) 5.274 7.943 ( -0.156 -4.587 2.158) 5.071 7.943 ( -0.156 4.587 2.158) 5.071 8.314 ( -3.827 -2.392 5.252) 6.924 8.314 ( -3.827 2.392 5.252) 6.924 8.643 ( 2.507 -3.618 -0.377) 4.417 8.643 ( 2.507 3.618 -0.377) 4.417 9.004 ( 3.341 -8.558 0.584) 9.206 9.004 ( 3.341 8.558 0.584) 9.206 9.179 ( -2.674 -5.793 7.214) 9.630 9.179 ( -2.674 5.793 7.214) 9.630 9.608 ( 2.278 -0.807 -5.915) 6.390 9.608 ( 2.278 0.807 -5.915) 6.390 9.842 ( 2.342 -4.143 -6.591) 8.130 9.842 ( 2.342 4.143 -6.591) 8.130 10.081 ( -1.611 -2.600 5.539) 6.327 10.081 ( -1.611 2.600 5.539) 6.327 10.789 ( -0.725 -4.251 -5.517) 7.002 10.789 ( -0.725 4.251 -5.517) 7.002 11.421 ( -1.441 -1.801 6.240) 6.652 11.421 ( -1.441 1.801 6.240) 6.652 12.290 ( -0.448 -16.040 -1.510) 16.117 12.290 ( -0.448 16.040 -1.510) 16.117 12.607 ( 9.496 -19.761 -2.290) 22.043 12.607 ( 9.496 19.761 -2.290) 22.043 13.484 ( 2.521 -0.760 -1.339) 2.954 13.484 ( 2.521 0.760 -1.339) 2.954 13.879 ( -1.131 -0.817 2.898) 3.217 13.879 ( -1.131 0.817 2.898) 3.217 14.603 ( 1.630 -2.233 -2.811) 3.943 14.603 ( 1.630 2.233 -2.811) 3.943 14.761 ( -1.803 -1.439 -1.062) 2.539 14.761 ( -1.803 1.439 -1.062) 2.539 15.390 ( -1.788 -1.422 -2.305) 3.245 15.390 ( -1.788 1.422 -2.305) 3.245 16.017 ( -2.855 -2.193 1.732) 3.995 16.017 ( -2.855 2.193 1.732) 3.995 16.188 ( 1.439 -5.792 3.181) 6.763 16.188 ( 1.439 5.792 3.181) 6.763 16.464 ( 1.784 -6.153 -1.356) 6.549 16.464 ( 1.784 6.153 -1.356) 6.549 17.186 ( -0.989 -2.468 0.464) 2.699 17.186 ( -0.989 2.468 0.464) 2.699 17.568 ( 6.284 -2.794 0.547) 6.899 17.568 ( 6.284 2.794 0.547) 6.899 17.899 ( 1.083 -9.105 -5.985) 10.949 17.899 ( 1.083 9.105 -5.985) 10.949 18.093 ( 6.491 -9.807 10.531) 15.787 18.093 ( 6.491 9.807 10.531) 15.787 19.069 ( -0.694 -2.447 1.509) 2.957 19.069 ( -0.694 2.447 1.509) 2.957 19.729 ( -0.991 -3.780 -3.204) 5.053 19.729 ( -0.991 3.780 -3.204) 5.053 20.098 ( -0.047 -2.504 0.946) 2.677 20.098 ( -0.047 2.504 0.946) 2.677 20.369 ( -0.605 -1.758 0.585) 1.949 20.369 ( -0.605 1.758 0.585) 1.949 ======================= Grid point 141 (77/96) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -6.790 -5.256 1.735) 8.760 0.866 ( -6.790 5.256 1.735) 8.760 1.102 ( -4.491 -2.241 5.890) 7.738 1.102 ( -4.491 2.241 5.890) 7.738 1.357 ( -3.804 -5.673 1.195) 6.934 1.357 ( -3.804 5.673 1.195) 6.934 1.511 ( 4.640 -0.204 -7.646) 8.946 1.511 ( 4.640 0.204 -7.646) 8.946 1.680 ( 0.784 -2.825 -0.253) 2.943 1.680 ( 0.784 2.825 -0.253) 2.943 1.937 ( -3.606 -9.612 -5.646) 11.716 1.937 ( -3.606 9.612 -5.646) 11.716 1.978 ( -0.076 -3.043 -0.536) 3.090 1.978 ( -0.076 3.043 -0.536) 3.090 2.194 ( -1.720 -4.260 2.730) 5.344 2.194 ( -1.720 4.260 2.730) 5.344 2.387 ( 1.788 -3.265 -1.004) 3.856 2.387 ( 1.788 3.265 -1.004) 3.856 2.486 ( -0.994 -1.938 -1.804) 2.828 2.486 ( -0.994 1.938 -1.804) 2.828 2.572 ( -1.105 -7.389 3.695) 8.335 2.572 ( -1.105 7.389 3.695) 8.335 2.830 ( -2.110 -2.100 2.891) 4.150 2.830 ( -2.110 2.100 2.891) 4.150 2.955 ( 2.966 -2.064 1.774) 4.026 2.955 ( 2.966 2.064 1.774) 4.026 3.057 ( 2.060 -7.018 2.651) 7.780 3.057 ( 2.060 7.018 2.651) 7.780 3.260 ( -1.478 -3.665 -3.790) 5.476 3.260 ( -1.478 3.665 -3.790) 5.476 3.386 ( 1.594 -1.976 0.760) 2.650 3.386 ( 1.594 1.976 0.760) 2.650 3.648 ( 6.673 -4.961 2.323) 8.633 3.648 ( 6.673 4.961 2.323) 8.633 3.913 ( -0.626 -1.760 1.851) 2.630 3.913 ( -0.626 1.760 1.851) 2.630 4.071 ( -4.356 -7.239 1.777) 8.633 4.071 ( -4.356 7.239 1.777) 8.633 4.537 ( 0.524 -1.657 0.881) 1.948 4.537 ( 0.524 1.657 0.881) 1.948 4.812 ( -2.483 -6.802 1.576) 7.410 4.812 ( -2.483 6.802 1.576) 7.410 5.035 ( -3.774 -3.396 -1.636) 5.334 5.035 ( -3.774 3.396 -1.636) 5.334 5.203 ( -0.368 -5.657 -6.138) 8.356 5.203 ( -0.368 5.657 -6.138) 8.356 5.407 ( -2.659 -3.130 2.232) 4.674 5.407 ( -2.659 3.130 2.232) 4.674 5.745 ( 1.950 -3.870 -2.035) 4.787 5.745 ( 1.950 3.870 -2.035) 4.787 6.194 ( -0.354 -0.416 -0.625) 0.830 6.194 ( -0.354 0.416 -0.625) 0.830 6.390 ( -0.046 -6.348 1.808) 6.601 6.390 ( -0.046 6.348 1.808) 6.601 6.590 ( 1.623 -7.624 -1.549) 7.947 6.590 ( 1.623 7.624 -1.549) 7.947 7.060 ( 5.215 -6.298 -2.008) 8.420 7.060 ( 5.215 6.298 -2.008) 8.420 7.272 ( 1.623 -7.660 0.534) 7.848 7.272 ( 1.623 7.660 0.534) 7.848 7.633 ( -1.606 -4.540 2.353) 5.360 7.633 ( -1.606 4.540 2.353) 5.360 7.807 ( -3.358 -4.138 -2.083) 5.722 7.807 ( -3.358 4.138 -2.083) 5.722 7.962 ( -0.883 -3.330 1.532) 3.770 7.962 ( -0.883 3.330 1.532) 3.770 8.309 ( -1.615 -4.151 3.470) 5.646 8.309 ( -1.615 4.151 3.470) 5.646 8.690 ( 2.660 -3.908 0.552) 4.759 8.690 ( 2.660 3.908 0.552) 4.759 9.060 ( 4.082 -6.847 -1.729) 8.157 9.060 ( 4.082 6.847 -1.729) 8.157 9.208 ( -3.247 -10.197 8.329) 13.561 9.208 ( -3.247 10.197 8.329) 13.561 9.595 ( 1.518 -1.199 -3.274) 3.803 9.595 ( 1.518 1.199 -3.274) 3.803 9.828 ( 4.964 -5.808 -8.590) 11.496 9.828 ( 4.964 5.808 -8.590) 11.496 10.090 ( -2.415 -4.489 3.292) 6.068 10.090 ( -2.415 4.489 3.292) 6.068 10.708 ( -2.641 -4.216 -5.518) 7.429 10.708 ( -2.641 4.216 -5.518) 7.429 11.480 ( -0.488 -1.133 8.514) 8.603 11.480 ( -0.488 1.133 8.514) 8.603 12.283 ( 0.714 -15.163 -0.254) 15.182 12.283 ( 0.714 15.163 -0.254) 15.182 12.735 ( 9.739 -16.797 -6.012) 20.326 12.735 ( 9.739 16.797 -6.012) 20.326 13.510 ( 2.412 -0.802 -2.051) 3.267 13.510 ( 2.412 0.802 -2.051) 3.267 13.883 ( -1.436 -0.709 2.189) 2.713 13.883 ( -1.436 0.709 2.189) 2.713 14.604 ( 2.096 -2.631 -3.258) 4.683 14.604 ( 2.096 2.631 -3.258) 4.683 14.723 ( -1.638 -2.845 -0.603) 3.338 14.723 ( -1.638 2.845 -0.603) 3.338 15.337 ( -1.623 -1.121 -1.997) 2.807 15.337 ( -1.623 1.121 -1.997) 2.807 15.986 ( -2.729 -1.580 1.571) 3.523 15.986 ( -2.729 1.580 1.571) 3.523 16.227 ( 0.156 -4.236 1.884) 4.638 16.227 ( 0.156 4.236 1.884) 4.638 16.492 ( 2.427 -6.429 -0.461) 6.887 16.492 ( 2.427 6.429 -0.461) 6.887 17.181 ( -0.015 -2.028 0.291) 2.048 17.181 ( -0.015 2.028 0.291) 2.048 17.658 ( 5.158 -3.058 -1.541) 6.191 17.658 ( 5.158 3.058 -1.541) 6.191 17.874 ( 4.185 -8.674 -6.923) 11.861 17.874 ( 4.185 8.674 -6.923) 11.861 18.317 ( 6.595 -5.394 8.206) 11.829 18.317 ( 6.595 5.394 8.206) 11.829 19.115 ( 2.255 -4.908 6.599) 8.528 19.115 ( 2.255 4.908 6.599) 8.528 19.647 ( -4.182 -4.478 -4.227) 7.444 19.647 ( -4.182 4.478 -4.227) 7.444 20.111 ( 0.546 -3.516 0.740) 3.635 20.111 ( 0.546 3.516 0.740) 3.635 20.363 ( -1.590 -1.004 1.741) 2.563 20.363 ( -1.590 1.004 1.741) 2.563 ======================= Grid point 143 (78/96) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -5.243 -8.988 5.080) 11.579 0.786 ( -5.243 8.988 5.080) 11.579 1.073 ( -7.184 -3.440 7.877) 11.202 1.073 ( -7.184 3.440 7.877) 11.202 1.318 ( -3.080 -5.889 2.705) 7.175 1.318 ( -3.080 5.889 2.705) 7.175 1.507 ( 4.060 -1.445 -7.669) 8.796 1.507 ( 4.060 1.445 -7.669) 8.796 1.685 ( -1.519 -1.367 -2.451) 3.191 1.685 ( -1.519 1.367 -2.451) 3.191 1.808 ( -0.874 -5.093 -6.253) 8.111 1.808 ( -0.874 5.093 -6.253) 8.111 1.969 ( 0.357 -0.420 -2.374) 2.437 1.969 ( 0.357 0.420 -2.374) 2.437 2.188 ( 0.322 -3.622 -4.985) 6.170 2.188 ( 0.322 3.622 -4.985) 6.170 2.378 ( -2.759 -1.998 4.720) 5.821 2.378 ( -2.759 1.998 4.720) 5.821 2.511 ( 2.994 -2.920 2.191) 4.721 2.511 ( 2.994 2.920 2.191) 4.721 2.623 ( 2.009 -7.146 3.863) 8.368 2.623 ( 2.009 7.146 3.863) 8.368 2.819 ( -3.332 -2.164 4.760) 6.200 2.819 ( -3.332 2.164 4.760) 6.200 3.006 ( 2.173 -1.940 -1.622) 3.334 3.006 ( 2.173 1.940 -1.622) 3.334 3.080 ( 0.019 -6.468 -0.166) 6.471 3.080 ( 0.019 6.468 -0.166) 6.471 3.226 ( -1.076 -1.357 1.199) 2.106 3.226 ( -1.076 1.357 1.199) 2.106 3.401 ( 0.757 -2.423 -1.410) 2.904 3.401 ( 0.757 2.423 -1.410) 2.904 3.737 ( 2.020 -4.035 -2.039) 4.952 3.737 ( 2.020 4.035 -2.039) 4.952 3.920 ( -0.401 -3.706 3.091) 4.843 3.920 ( -0.401 3.706 3.091) 4.843 4.053 ( -1.169 -8.672 4.438) 9.811 4.053 ( -1.169 8.672 4.438) 9.811 4.552 ( 1.045 -0.559 -1.970) 2.299 4.552 ( 1.045 0.559 -1.970) 2.299 4.797 ( -0.973 -5.570 1.779) 5.928 4.797 ( -0.973 5.570 1.779) 5.928 4.970 ( -2.965 -4.151 1.112) 5.220 4.970 ( -2.965 4.151 1.112) 5.220 5.143 ( 0.146 -6.685 -5.933) 8.939 5.143 ( 0.146 6.685 -5.933) 8.939 5.373 ( -2.752 -5.808 0.624) 6.457 5.373 ( -2.752 5.808 0.624) 6.457 5.741 ( 0.861 -4.356 -3.542) 5.679 5.741 ( 0.861 4.356 -3.542) 5.679 6.177 ( -0.390 -0.807 -1.546) 1.787 6.177 ( -0.390 0.807 -1.546) 1.787 6.394 ( -1.803 -6.283 2.152) 6.882 6.394 ( -1.803 6.283 2.152) 6.882 6.601 ( 0.807 -9.296 -0.211) 9.334 6.601 ( 0.807 9.296 -0.211) 9.334 7.130 ( 5.171 -6.951 -2.226) 8.945 7.130 ( 5.171 6.951 -2.226) 8.945 7.327 ( 4.157 -6.712 0.521) 7.913 7.327 ( 4.157 6.712 0.521) 7.913 7.588 ( -5.238 -4.878 -0.098) 7.158 7.588 ( -5.238 4.878 -0.098) 7.158 7.746 ( -2.460 -4.121 0.470) 4.822 7.746 ( -2.460 4.121 0.470) 4.822 7.945 ( -2.796 -3.475 2.177) 4.963 7.945 ( -2.796 3.475 2.177) 4.963 8.322 ( -0.442 -4.654 2.097) 5.123 8.322 ( -0.442 4.654 2.097) 5.123 8.731 ( 1.157 -3.534 1.037) 3.860 8.731 ( 1.157 3.534 1.037) 3.860 9.112 ( 4.315 -6.405 -1.798) 7.929 9.112 ( 4.315 6.405 -1.798) 7.929 9.213 ( -4.888 -12.176 6.344) 14.574 9.213 ( -4.888 12.176 6.344) 14.574 9.596 ( 0.725 -1.149 -0.803) 1.578 9.596 ( 0.725 1.149 -0.803) 1.578 9.849 ( 7.461 -7.293 -9.044) 13.807 9.849 ( 7.461 7.293 -9.044) 13.807 10.064 ( -3.917 -3.530 2.414) 5.799 10.064 ( -3.917 3.530 2.414) 5.799 10.605 ( -2.484 -3.027 -5.798) 6.996 10.605 ( -2.484 3.027 -5.798) 6.996 11.553 ( -0.570 -0.749 8.111) 8.165 11.553 ( -0.570 0.749 8.111) 8.165 12.309 ( 1.491 -14.733 1.589) 14.893 12.309 ( 1.491 14.733 1.589) 14.893 12.788 ( 5.680 -13.975 -10.636) 18.457 12.788 ( 5.680 13.975 -10.636) 18.457 13.523 ( 1.496 -0.292 -2.327) 2.782 13.523 ( 1.496 0.292 -2.327) 2.782 13.870 ( -2.212 -0.665 1.806) 2.932 13.870 ( -2.212 0.665 1.806) 2.932 14.614 ( 2.851 -1.893 -3.161) 4.659 14.614 ( 2.851 1.893 -3.161) 4.659 14.693 ( -1.308 -3.560 -0.607) 3.840 14.693 ( -1.308 3.560 -0.607) 3.840 15.309 ( 0.078 -0.940 -1.060) 1.419 15.309 ( 0.078 0.940 -1.060) 1.419 15.958 ( -2.457 -1.443 1.636) 3.285 15.958 ( -2.457 1.443 1.636) 3.285 16.229 ( -1.366 -2.087 0.783) 2.615 16.229 ( -1.366 2.087 0.783) 2.615 16.530 ( 2.414 -6.632 -0.490) 7.075 16.530 ( 2.414 6.632 -0.490) 7.075 17.188 ( 0.348 -1.472 0.299) 1.541 17.188 ( 0.348 1.472 0.299) 1.541 17.712 ( 3.147 -2.078 -1.564) 4.083 17.712 ( 3.147 2.078 -1.564) 4.083 17.906 ( 5.763 -6.873 -5.105) 10.320 17.906 ( 5.763 6.873 -5.105) 10.320 18.400 ( -1.942 -2.982 0.550) 3.601 18.400 ( -1.942 2.982 0.550) 3.601 19.242 ( 2.254 -2.755 6.646) 7.539 19.242 ( 2.254 2.755 6.646) 7.539 19.547 ( -2.253 -2.521 -1.514) 3.705 19.547 ( -2.253 2.521 -1.514) 3.705 20.136 ( 1.554 -3.197 1.349) 3.802 20.136 ( 1.554 3.197 1.349) 3.802 20.345 ( -2.510 -1.324 1.616) 3.266 20.345 ( -2.510 1.324 1.616) 3.266 ======================= Grid point 155 (79/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.061 0.000 -1.833) 4.455 1.016 ( 4.061 0.000 1.833) 4.455 1.264 ( -5.455 0.000 -11.526) 12.751 1.264 ( 5.455 0.000 11.526) 12.751 1.286 ( 2.580 0.000 -4.129) 4.868 1.286 ( -2.580 0.000 4.129) 4.868 1.448 ( 6.069 0.000 -3.795) 7.158 1.448 ( -6.069 0.000 3.795) 7.158 1.652 ( -1.684 0.000 -3.810) 4.165 1.652 ( 1.684 0.000 3.810) 4.165 1.766 ( 6.495 0.000 -4.070) 7.665 1.766 ( -6.495 0.000 4.070) 7.665 1.918 ( -7.528 0.000 2.442) 7.914 1.918 ( 7.528 0.000 -2.442) 7.914 2.102 ( -0.124 0.000 -0.434) 0.451 2.102 ( 0.124 0.000 0.434) 0.451 2.299 ( 7.564 0.000 -3.189) 8.208 2.299 ( -7.564 0.000 3.189) 8.208 2.547 ( -6.843 0.000 1.234) 6.953 2.547 ( 6.843 0.000 -1.234) 6.953 2.630 ( 2.816 0.000 -2.871) 4.021 2.630 ( -2.816 0.000 2.871) 4.021 2.831 ( -2.154 0.000 -0.472) 2.205 2.831 ( 2.154 0.000 0.472) 2.205 2.926 ( 0.672 0.000 -2.990) 3.065 2.926 ( -0.672 0.000 2.990) 3.065 3.039 ( 1.051 0.000 -0.629) 1.225 3.039 ( -1.051 0.000 0.629) 1.225 3.183 ( 1.833 0.000 -1.130) 2.153 3.183 ( -1.833 0.000 1.130) 2.153 3.311 ( 1.743 0.000 -2.019) 2.668 3.311 ( -1.743 0.000 2.019) 2.668 3.707 ( -0.900 0.000 0.167) 0.915 3.707 ( 0.900 0.000 -0.167) 0.915 4.094 ( 0.468 0.000 -2.865) 2.903 4.094 ( -0.468 0.000 2.865) 2.903 4.421 ( 9.559 0.000 -9.812) 13.699 4.421 ( -9.559 0.000 9.812) 13.699 4.490 ( -1.596 0.000 -2.319) 2.815 4.490 ( 1.596 0.000 2.319) 2.815 4.731 ( 8.695 0.000 -6.885) 11.091 4.731 ( -8.695 0.000 6.885) 11.091 4.850 ( -0.312 0.000 -6.084) 6.092 4.850 ( 0.312 0.000 6.084) 6.092 5.109 ( 1.574 0.000 -2.868) 3.272 5.109 ( -1.574 0.000 2.868) 3.272 5.423 ( -2.127 0.000 -4.739) 5.195 5.423 ( 2.127 0.000 4.739) 5.195 5.777 ( 2.538 0.000 -5.945) 6.464 5.777 ( -2.538 0.000 5.945) 6.464 6.000 ( 1.466 0.000 -8.945) 9.064 6.000 ( -1.466 0.000 8.945) 9.064 6.207 ( 1.040 0.000 -1.454) 1.788 6.207 ( -1.040 0.000 1.454) 1.788 6.782 ( 3.851 0.000 -7.544) 8.470 6.782 ( -3.851 0.000 7.544) 8.470 7.070 ( -1.113 0.000 -3.302) 3.485 7.070 ( 1.113 0.000 3.302) 3.485 7.322 ( -3.806 0.000 -3.445) 5.134 7.322 ( 3.806 0.000 3.445) 5.134 7.667 ( 0.790 0.000 -1.123) 1.373 7.667 ( -0.790 0.000 1.123) 1.373 7.725 ( -2.969 0.000 -0.869) 3.094 7.725 ( 2.969 0.000 0.869) 3.094 8.041 ( -3.160 0.000 -1.411) 3.461 8.041 ( 3.160 0.000 1.411) 3.461 8.351 ( 1.146 0.000 -5.201) 5.326 8.351 ( -1.146 0.000 5.201) 5.326 8.618 ( 1.344 0.000 -1.156) 1.773 8.618 ( -1.344 0.000 1.156) 1.773 8.951 ( 5.192 0.000 -7.265) 8.930 8.951 ( -5.192 0.000 7.265) 8.930 9.342 ( 1.813 0.000 -3.996) 4.388 9.342 ( -1.813 0.000 3.996) 4.388 9.641 ( -5.435 0.000 0.769) 5.489 9.641 ( 5.435 0.000 -0.769) 5.489 9.771 ( 1.639 0.000 -2.889) 3.322 9.771 ( -1.639 0.000 2.889) 3.322 10.272 ( -23.688 0.000 3.463) 23.940 10.272 ( 23.688 0.000 -3.463) 23.940 10.544 ( 7.062 0.000 -5.918) 9.214 10.544 ( -7.062 0.000 5.918) 9.214 11.657 ( -3.322 0.000 -2.767) 4.324 11.657 ( 3.322 0.000 2.767) 4.324 11.880 ( 1.691 0.000 -2.258) 2.821 11.880 ( -1.691 0.000 2.258) 2.821 12.825 ( -2.605 0.000 -4.727) 5.397 12.825 ( 2.605 0.000 4.727) 5.397 13.434 ( 1.161 0.000 -0.752) 1.383 13.434 ( -1.161 0.000 0.752) 1.383 13.889 ( 1.998 0.000 -1.370) 2.423 13.889 ( -1.998 0.000 1.370) 2.423 14.599 ( 0.165 0.000 -1.705) 1.713 14.599 ( -0.165 0.000 1.705) 1.713 14.721 ( -1.695 0.000 -4.179) 4.510 14.721 ( 1.695 0.000 4.179) 4.510 15.293 ( -0.244 0.000 -0.981) 1.011 15.293 ( 0.244 0.000 0.981) 1.011 16.025 ( 0.096 0.000 -0.496) 0.505 16.025 ( -0.096 0.000 0.496) 0.505 16.194 ( 0.494 0.000 -1.489) 1.569 16.194 ( -0.494 0.000 1.489) 1.569 16.594 ( 5.039 0.000 -9.531) 10.781 16.594 ( -5.039 0.000 9.531) 10.781 17.192 ( -0.405 0.000 -1.208) 1.274 17.192 ( 0.405 0.000 1.208) 1.274 17.773 ( -6.863 0.000 0.732) 6.902 17.773 ( 6.863 0.000 -0.732) 6.902 17.901 ( -18.916 0.000 0.396) 18.920 17.901 ( 18.916 0.000 -0.396) 18.920 18.382 ( -3.048 0.000 -5.580) 6.358 18.382 ( 3.048 0.000 5.580) 6.358 19.281 ( -0.745 0.000 -2.941) 3.034 19.281 ( 0.745 0.000 2.941) 3.034 19.453 ( -1.714 0.000 -0.281) 1.737 19.453 ( 1.714 0.000 0.281) 1.737 20.165 ( -7.759 0.000 0.602) 7.782 20.165 ( 7.759 0.000 -0.602) 7.782 20.355 ( -1.857 0.000 -2.463) 3.085 20.355 ( 1.857 0.000 2.463) 3.085 ======================= Grid point 157 (80/96) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -3.720 0.000 -2.415) 4.435 0.982 ( -8.248 0.000 -15.609) 17.654 1.111 ( 3.131 0.000 -0.382) 3.154 1.272 ( -4.240 0.000 5.876) 7.246 1.287 ( 1.653 0.000 -3.518) 3.887 1.369 ( -5.304 0.000 4.271) 6.810 1.449 ( 6.254 0.000 4.271) 7.573 1.490 ( 3.804 0.000 -5.678) 6.835 1.537 ( -1.605 0.000 -6.038) 6.248 1.638 ( 0.852 0.000 -5.541) 5.606 1.744 ( -0.067 0.000 3.423) 3.424 1.866 ( 4.986 0.000 1.735) 5.279 1.960 ( 0.437 0.000 12.592) 12.599 2.041 ( -5.218 0.000 1.031) 5.319 2.075 ( -3.931 0.000 1.356) 4.158 2.079 ( 5.078 0.000 2.203) 5.536 2.280 ( 2.443 0.000 1.042) 2.656 2.417 ( 6.656 0.000 -1.648) 6.857 2.433 ( -4.962 0.000 -1.375) 5.149 2.576 ( 1.258 0.000 -3.866) 4.065 2.638 ( 0.597 0.000 -3.315) 3.369 2.694 ( 4.836 0.000 5.472) 7.302 2.809 ( 1.327 0.000 -1.964) 2.370 2.867 ( 0.591 0.000 0.737) 0.944 2.892 ( 0.260 0.000 -4.679) 4.686 2.929 ( -2.408 0.000 3.713) 4.425 3.025 ( -1.849 0.000 1.534) 2.403 3.055 ( 0.979 0.000 0.800) 1.264 3.169 ( -1.166 0.000 1.144) 1.633 3.212 ( 2.452 0.000 -0.095) 2.453 3.311 ( -2.270 0.000 4.242) 4.811 3.331 ( 1.417 0.000 0.127) 1.423 3.664 ( -1.075 0.000 -4.224) 4.359 3.687 ( 0.169 0.000 -4.928) 4.931 4.043 ( -0.872 0.000 -5.403) 5.473 4.069 ( -4.827 0.000 1.503) 5.056 4.371 ( -5.433 0.000 3.329) 6.372 4.434 ( -3.620 0.000 2.427) 4.359 4.496 ( 10.221 0.000 -10.840) 14.899 4.515 ( -1.781 0.000 2.156) 2.796 4.644 ( -8.696 0.000 6.752) 11.009 4.786 ( 6.473 0.000 -8.396) 10.602 4.821 ( 1.966 0.000 -3.124) 3.691 4.954 ( 2.652 0.000 9.951) 10.298 5.130 ( -0.343 0.000 3.958) 3.972 5.147 ( 4.616 0.000 0.424) 4.635 5.364 ( -0.624 0.000 -2.287) 2.371 5.514 ( 2.937 0.000 4.680) 5.525 5.773 ( 2.513 0.000 -3.900) 4.640 5.801 ( -2.521 0.000 7.541) 7.951 5.965 ( 3.386 0.000 -6.946) 7.728 6.083 ( -0.524 0.000 11.154) 11.166 6.210 ( -0.726 0.000 2.350) 2.460 6.216 ( 1.464 0.000 -0.864) 1.700 6.739 ( 1.256 0.000 -10.520) 10.595 6.769 ( -5.441 0.000 6.747) 8.667 7.018 ( -1.133 0.000 -1.957) 2.261 7.083 ( -2.314 0.000 0.952) 2.503 7.236 ( -2.556 0.000 -3.222) 4.113 7.416 ( 2.976 0.000 3.176) 4.353 7.636 ( -4.296 0.000 0.027) 4.296 7.656 ( -1.275 0.000 0.504) 1.371 7.701 ( 1.439 0.000 0.081) 1.441 7.767 ( -0.766 0.000 2.781) 2.885 7.968 ( -2.728 0.000 -2.761) 3.881 8.091 ( 1.158 0.000 1.383) 1.804 8.315 ( 0.131 0.000 -4.103) 4.105 8.375 ( -2.431 0.000 6.076) 6.545 8.618 ( -0.611 0.000 2.274) 2.355 8.633 ( -0.187 0.000 1.752) 1.762 8.927 ( -5.364 0.000 6.619) 8.520 8.960 ( 5.190 0.000 -8.801) 10.218 9.329 ( 1.744 0.000 -4.521) 4.846 9.339 ( -3.008 0.000 3.663) 4.740 9.574 ( -1.865 0.000 -1.194) 2.214 9.705 ( 3.950 0.000 -6.524) 7.627 9.759 ( -0.506 0.000 -1.865) 1.932 9.769 ( -3.293 0.000 7.321) 8.028 9.987 ( -17.671 0.000 12.860) 21.855 10.491 ( -5.638 0.000 6.296) 8.452 10.615 ( 8.304 0.000 -6.445) 10.512 10.637 ( 15.708 0.000 6.171) 16.877 11.576 ( -2.438 0.000 -3.597) 4.346 11.722 ( 1.237 0.000 1.292) 1.788 11.872 ( -1.325 0.000 1.267) 1.833 11.882 ( 1.514 0.000 -3.001) 3.361 12.752 ( -1.316 0.000 -3.649) 3.879 12.925 ( 3.081 0.000 5.570) 6.366 13.412 ( -2.364 0.000 0.839) 2.508 13.440 ( 0.648 0.000 -0.709) 0.961 13.868 ( -2.250 0.000 1.872) 2.927 13.900 ( 0.765 0.000 -1.417) 1.611 14.580 ( -0.230 0.000 -2.267) 2.279 14.610 ( -0.234 0.000 1.495) 1.513 14.671 ( 0.156 0.000 -2.946) 2.950 14.791 ( 2.082 0.000 3.244) 3.854 15.284 ( 0.509 0.000 -0.909) 1.042 15.306 ( 0.495 0.000 0.470) 0.683 16.028 ( -1.095 0.000 1.582) 1.924 16.029 ( 1.329 0.000 -1.077) 1.710 16.202 ( 2.949 0.000 -2.356) 3.774 16.207 ( 0.223 0.000 1.580) 1.595 16.590 ( 3.848 0.000 -6.602) 7.642 16.605 ( -5.407 0.000 10.992) 12.250 17.161 ( -2.453 0.000 -1.253) 2.754 17.203 ( -0.269 0.000 0.952) 0.989 17.477 ( -20.997 0.000 5.688) 21.753 17.782 ( -0.780 0.000 -1.338) 1.549 17.804 ( -2.493 0.000 0.809) 2.622 18.230 ( 11.258 0.000 2.254) 11.482 18.260 ( -6.107 0.000 -2.650) 6.658 18.456 ( -1.302 0.000 7.454) 7.566 19.280 ( 1.043 0.000 -2.304) 2.530 19.352 ( 3.729 0.000 2.861) 4.700 19.403 ( 0.069 0.000 -2.036) 2.037 19.454 ( -0.192 0.000 -2.180) 2.189 20.048 ( -5.528 0.000 -0.177) 5.531 20.278 ( 6.728 0.000 -1.520) 6.898 20.295 ( -1.539 0.000 -3.427) 3.757 20.390 ( 0.472 0.000 0.188) 0.508 ======================= Grid point 158 (81/96) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.794 0.000 -12.314) 12.340 0.848 ( -1.565 0.000 -4.808) 5.056 1.158 ( 2.581 0.000 -0.768) 2.693 1.258 ( -5.726 0.000 8.451) 10.208 1.286 ( 2.368 0.000 -3.201) 3.982 1.341 ( -1.500 0.000 2.228) 2.686 1.459 ( 1.242 0.000 -4.740) 4.900 1.551 ( 2.558 0.000 3.110) 4.026 1.594 ( 7.467 0.000 0.090) 7.468 1.610 ( -0.098 0.000 -0.430) 0.441 1.811 ( 2.047 0.000 4.262) 4.728 1.929 ( -3.581 0.000 3.327) 4.888 1.969 ( 0.954 0.000 -0.357) 1.018 1.995 ( -5.566 0.000 -0.226) 5.570 2.091 ( 2.550 0.000 6.522) 7.003 2.129 ( 0.056 0.000 -0.437) 0.440 2.336 ( -3.371 0.000 -0.100) 3.372 2.339 ( 3.884 0.000 -1.029) 4.018 2.500 ( 3.288 0.000 -1.792) 3.745 2.570 ( 2.254 0.000 -3.987) 4.580 2.591 ( -1.785 0.000 -3.087) 3.566 2.794 ( -1.725 0.000 2.695) 3.200 2.819 ( 1.752 0.000 -2.928) 3.412 2.857 ( -0.486 0.000 -5.232) 5.254 2.873 ( 4.517 0.000 -0.393) 4.534 2.918 ( -3.141 0.000 2.952) 4.311 3.024 ( 0.380 0.000 1.721) 1.763 3.093 ( 2.812 0.000 -0.371) 2.837 3.166 ( -1.384 0.000 3.474) 3.739 3.248 ( 0.093 0.000 -0.061) 0.111 3.305 ( -2.800 0.000 4.843) 5.594 3.361 ( 2.667 0.000 -0.192) 2.674 3.630 ( 2.042 0.000 -3.105) 3.716 3.639 ( 0.291 0.000 -5.787) 5.794 3.967 ( -8.602 0.000 0.391) 8.611 3.995 ( 1.504 0.000 -4.556) 4.798 4.278 ( -4.593 0.000 -2.581) 5.269 4.448 ( -2.135 0.000 8.627) 8.887 4.462 ( -5.015 0.000 0.273) 5.023 4.528 ( 4.962 0.000 -9.845) 11.025 4.590 ( -4.491 0.000 5.151) 6.834 4.787 ( 4.346 0.000 -9.924) 10.834 4.860 ( 4.642 0.000 -0.564) 4.676 5.085 ( -0.187 0.000 8.473) 8.475 5.180 ( 2.886 0.000 4.775) 5.580 5.256 ( 6.216 0.000 1.292) 6.349 5.366 ( 0.939 0.000 2.750) 2.906 5.593 ( 1.911 0.000 2.479) 3.130 5.782 ( 1.696 0.000 -1.744) 2.433 5.829 ( -3.283 0.000 7.936) 8.588 5.975 ( 5.240 0.000 -6.387) 8.261 6.178 ( -1.545 0.000 11.307) 11.412 6.230 ( -0.195 0.000 3.581) 3.587 6.240 ( 1.962 0.000 -0.248) 1.977 6.644 ( 0.999 0.000 -11.075) 11.120 6.740 ( -5.857 0.000 7.492) 9.509 7.002 ( 0.366 0.000 -0.672) 0.765 7.026 ( -3.734 0.000 -1.326) 3.962 7.173 ( -1.117 0.000 -3.268) 3.453 7.455 ( -1.778 0.000 2.025) 2.695 7.551 ( -5.532 0.000 -0.086) 5.533 7.637 ( -1.933 0.000 0.094) 1.935 7.744 ( 2.062 0.000 1.469) 2.532 7.752 ( -3.604 0.000 4.186) 5.524 7.910 ( -0.158 0.000 -4.683) 4.686 8.098 ( -1.402 0.000 -0.119) 1.407 8.290 ( 0.515 0.000 -1.338) 1.434 8.388 ( -3.000 0.000 6.385) 7.055 8.632 ( 0.311 0.000 0.373) 0.485 8.640 ( -2.235 0.000 4.064) 4.638 8.909 ( -4.826 0.000 7.932) 9.285 8.962 ( 5.247 0.000 -8.756) 10.207 9.319 ( 2.332 0.000 -4.814) 5.349 9.323 ( -2.696 0.000 3.670) 4.554 9.558 ( 0.852 0.000 -0.823) 1.184 9.638 ( -5.664 0.000 0.709) 5.708 9.717 ( -2.265 0.000 -2.078) 3.074 9.805 ( 0.903 0.000 1.610) 1.846 9.936 ( -5.418 0.000 13.367) 14.423 10.465 ( -4.656 0.000 6.160) 7.722 10.689 ( 8.120 0.000 -7.215) 10.863 10.878 ( 3.806 0.000 9.393) 10.135 11.508 ( -1.073 0.000 -4.650) 4.772 11.691 ( -3.589 0.000 -4.990) 6.147 11.857 ( -1.460 0.000 1.017) 1.779 11.872 ( 1.001 0.000 -3.467) 3.609 12.715 ( 0.295 0.000 -2.029) 2.051 13.013 ( 0.667 0.000 4.893) 4.938 13.377 ( -2.810 0.000 1.241) 3.072 13.446 ( 0.365 0.000 -0.357) 0.511 13.854 ( -1.714 0.000 2.356) 2.914 13.892 ( 0.200 0.000 -1.496) 1.509 14.555 ( 0.231 0.000 -2.197) 2.209 14.618 ( -0.449 0.000 1.315) 1.390 14.671 ( 1.829 0.000 -0.745) 1.975 14.844 ( 1.579 0.000 1.223) 1.997 15.300 ( 2.008 0.000 0.069) 2.009 15.328 ( 1.817 0.000 0.781) 1.977 16.012 ( -3.082 0.000 2.605) 4.035 16.041 ( 2.199 0.000 -3.249) 3.923 16.227 ( -0.018 0.000 2.014) 2.014 16.249 ( 5.453 0.000 -3.083) 6.264 16.601 ( 2.663 0.000 -2.162) 3.431 16.623 ( -5.115 0.000 11.093) 12.216 17.054 ( -9.938 0.000 1.029) 9.992 17.203 ( -0.636 0.000 0.804) 1.026 17.299 ( -7.573 0.000 6.210) 9.793 17.748 ( -1.535 0.000 -1.237) 1.971 17.766 ( -2.892 0.000 0.681) 2.971 18.151 ( -5.046 0.000 0.443) 5.066 18.212 ( -10.314 0.000 -5.184) 11.544 18.484 ( -1.576 0.000 1.396) 2.105 19.170 ( -3.591 0.000 -8.645) 9.361 19.391 ( -0.998 0.000 -4.220) 4.336 19.462 ( 3.440 0.000 2.631) 4.331 19.504 ( 3.874 0.000 7.958) 8.851 20.007 ( -0.032 0.000 1.004) 1.005 20.257 ( 0.695 0.000 -2.100) 2.212 20.355 ( 3.920 0.000 -2.637) 4.724 20.373 ( -0.491 0.000 -2.026) 2.084 ======================= Grid point 159 (82/96) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 6.584 0.000 -0.149) 6.586 0.800 ( 2.744 0.000 -6.658) 7.201 1.193 ( 1.871 0.000 0.851) 2.055 1.245 ( -5.552 0.000 8.767) 10.377 1.302 ( 3.703 0.000 -4.163) 5.571 1.335 ( -2.300 0.000 1.770) 2.902 1.455 ( 0.703 0.000 -0.416) 0.817 1.616 ( 3.299 0.000 -3.164) 4.571 1.653 ( 1.875 0.000 8.098) 8.312 1.691 ( 2.281 0.000 -0.223) 2.292 1.814 ( -5.948 0.000 4.117) 7.234 1.882 ( -3.361 0.000 4.287) 5.447 1.954 ( 4.043 0.000 -3.523) 5.362 2.015 ( 3.501 0.000 -1.848) 3.959 2.128 ( 0.919 0.000 2.190) 2.375 2.158 ( 3.233 0.000 -1.105) 3.417 2.326 ( -0.053 0.000 1.127) 1.128 2.376 ( 1.358 0.000 -1.606) 2.103 2.502 ( -1.456 0.000 -0.444) 1.522 2.535 ( -0.504 0.000 -3.371) 3.408 2.562 ( 0.623 0.000 -2.888) 2.955 2.724 ( -5.440 0.000 -3.969) 6.734 2.795 ( -1.454 0.000 -0.520) 1.545 2.801 ( -0.146 0.000 -2.954) 2.957 2.881 ( -3.826 0.000 2.459) 4.548 2.951 ( 3.692 0.000 -1.682) 4.057 3.072 ( 4.431 0.000 0.078) 4.431 3.100 ( -1.356 0.000 0.886) 1.620 3.181 ( -5.019 0.000 -2.201) 5.480 3.225 ( 4.576 0.000 1.175) 4.725 3.336 ( -0.014 0.000 4.183) 4.183 3.401 ( 1.847 0.000 -1.535) 2.402 3.570 ( -2.185 0.000 -5.754) 6.155 3.688 ( 6.119 0.000 0.661) 6.154 3.793 ( -10.947 0.000 -1.137) 11.006 4.007 ( 3.051 0.000 -2.334) 3.841 4.201 ( -3.212 0.000 0.413) 3.238 4.385 ( -3.089 0.000 -1.940) 3.648 4.488 ( -2.289 0.000 -0.278) 2.306 4.505 ( -1.925 0.000 9.521) 9.713 4.590 ( 2.383 0.000 -2.476) 3.437 4.749 ( 3.167 0.000 -10.766) 11.222 4.943 ( 4.129 0.000 1.316) 4.334 5.094 ( -3.375 0.000 2.753) 4.356 5.314 ( 4.911 0.000 6.358) 8.034 5.340 ( 2.440 0.000 1.867) 3.072 5.452 ( 4.213 0.000 4.098) 5.877 5.615 ( -0.233 0.000 -0.646) 0.686 5.790 ( 0.254 0.000 -0.261) 0.365 5.833 ( -4.292 0.000 5.784) 7.202 6.018 ( 7.214 0.000 -6.249) 9.544 6.237 ( -3.200 0.000 9.234) 9.773 6.270 ( 0.308 0.000 4.157) 4.168 6.272 ( 1.917 0.000 -0.012) 1.917 6.591 ( 3.117 0.000 -6.964) 7.630 6.722 ( -5.455 0.000 8.425) 10.037 6.946 ( -3.252 0.000 -2.398) 4.041 7.000 ( 0.106 0.000 -1.295) 1.299 7.151 ( 1.964 0.000 -2.217) 2.962 7.409 ( -4.194 0.000 0.307) 4.205 7.457 ( -4.903 0.000 -0.749) 4.960 7.566 ( -6.253 0.000 0.764) 6.300 7.770 ( 0.387 0.000 3.671) 3.692 7.783 ( 0.387 0.000 2.112) 2.147 7.862 ( 0.048 0.000 -4.782) 4.783 8.044 ( -3.049 0.000 -2.547) 3.973 8.312 ( 1.620 0.000 1.610) 2.284 8.396 ( -3.051 0.000 5.851) 6.599 8.633 ( 1.147 0.000 -2.230) 2.508 8.640 ( -2.119 0.000 3.651) 4.222 8.920 ( -3.602 0.000 8.692) 9.409 8.967 ( 4.111 0.000 -6.695) 7.857 9.311 ( 1.868 0.000 -4.430) 4.808 9.321 ( -2.133 0.000 4.005) 4.537 9.574 ( -3.276 0.000 1.860) 3.767 9.580 ( 2.197 0.000 0.046) 2.198 9.651 ( -2.600 0.000 -2.441) 3.566 9.813 ( -0.426 0.000 -0.926) 1.019 10.017 ( -0.741 0.000 13.445) 13.466 10.448 ( -4.499 0.000 5.806) 7.345 10.741 ( 6.628 0.000 -7.747) 10.195 10.949 ( -3.619 0.000 5.606) 6.673 11.449 ( -0.154 0.000 -5.629) 5.631 11.527 ( -4.658 0.000 -11.238) 12.164 11.850 ( -1.117 0.000 1.708) 2.041 11.854 ( 0.886 0.000 -3.245) 3.363 12.725 ( 2.254 0.000 -0.288) 2.272 13.027 ( -2.726 0.000 1.891) 3.318 13.349 ( -2.066 0.000 1.782) 2.728 13.434 ( -1.099 0.000 -1.081) 1.542 13.855 ( -1.120 0.000 2.520) 2.758 13.886 ( 0.538 0.000 -1.048) 1.178 14.552 ( 1.346 0.000 -1.353) 1.908 14.619 ( -0.879 0.000 1.052) 1.371 14.713 ( 2.719 0.000 1.186) 2.966 14.868 ( 0.952 0.000 -0.596) 1.124 15.349 ( 2.970 0.000 0.928) 3.112 15.382 ( 2.626 0.000 1.991) 3.296 15.984 ( -3.558 0.000 3.580) 5.048 16.035 ( 1.872 0.000 -5.099) 5.432 16.240 ( -0.512 0.000 1.522) 1.606 16.305 ( 4.640 0.000 -4.097) 6.190 16.645 ( -4.284 0.000 9.887) 10.775 16.651 ( 3.892 0.000 1.817) 4.295 16.906 ( -9.686 0.000 4.106) 10.521 17.201 ( -0.654 0.000 1.086) 1.268 17.278 ( -2.637 0.000 4.869) 5.537 17.714 ( -1.437 0.000 -0.735) 1.614 17.725 ( -2.727 0.000 0.900) 2.872 17.875 ( -12.804 0.000 -19.368) 23.218 18.112 ( -1.813 0.000 3.321) 3.783 18.431 ( -3.728 0.000 -2.148) 4.303 19.081 ( 0.236 0.000 -3.807) 3.814 19.311 ( -2.195 0.000 -5.682) 6.092 19.547 ( 3.274 0.000 2.387) 4.052 19.601 ( -1.183 0.000 7.547) 7.639 20.033 ( 0.667 0.000 2.055) 2.160 20.282 ( 2.357 0.000 1.094) 2.599 20.297 ( -2.688 0.000 -4.838) 5.534 20.399 ( 2.807 0.000 -2.818) 3.978 ======================= Grid point 160 (83/96) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 5.590 0.000 -5.407) 7.777 0.849 ( 2.395 0.000 2.115) 3.195 1.232 ( -0.499 0.000 4.102) 4.132 1.247 ( -2.062 0.000 5.291) 5.678 1.299 ( -3.099 0.000 1.191) 3.320 1.329 ( 3.346 0.000 -4.117) 5.305 1.455 ( -0.687 0.000 1.470) 1.623 1.615 ( -1.469 0.000 -3.771) 4.047 1.665 ( -5.001 0.000 5.243) 7.246 1.673 ( 0.564 0.000 -3.704) 3.747 1.897 ( 6.407 0.000 8.578) 10.707 1.913 ( 0.107 0.000 5.889) 5.890 1.994 ( 4.753 0.000 -4.510) 6.552 2.072 ( 5.743 0.000 -1.486) 5.933 2.203 ( 2.756 0.000 5.146) 5.838 2.220 ( 5.374 0.000 -0.664) 5.415 2.306 ( -1.252 0.000 -1.836) 2.222 2.332 ( -3.361 0.000 -4.287) 5.448 2.427 ( -5.808 0.000 -0.870) 5.872 2.536 ( 2.841 0.000 -3.533) 4.533 2.543 ( -0.140 0.000 -1.921) 1.927 2.566 ( -8.342 0.000 -3.532) 9.059 2.788 ( 2.606 0.000 -2.648) 3.715 2.791 ( 0.741 0.000 -0.047) 0.743 2.851 ( -2.459 0.000 2.644) 3.611 2.955 ( -3.503 0.000 2.070) 4.068 3.082 ( -0.507 0.000 -5.926) 5.948 3.087 ( -2.578 0.000 2.953) 3.920 3.177 ( 7.579 0.000 0.218) 7.582 3.300 ( 4.124 0.000 -1.562) 4.410 3.366 ( -0.706 0.000 3.437) 3.509 3.389 ( -0.316 0.000 -1.865) 1.892 3.467 ( -3.020 0.000 -5.428) 6.212 3.570 ( -11.607 0.000 -1.965) 11.773 3.853 ( 7.791 0.000 4.026) 8.770 4.022 ( 0.574 0.000 -1.612) 1.711 4.177 ( -1.382 0.000 2.567) 2.915 4.306 ( -3.090 0.000 -4.322) 5.313 4.487 ( 1.182 0.000 1.930) 2.263 4.549 ( -3.916 0.000 9.080) 9.889 4.614 ( 2.864 0.000 -1.800) 3.382 4.695 ( 2.289 0.000 -9.723) 9.989 5.004 ( 1.263 0.000 1.835) 2.228 5.055 ( -2.152 0.000 -0.202) 2.161 5.396 ( 1.205 0.000 3.642) 3.836 5.430 ( 2.815 0.000 2.883) 4.029 5.543 ( 3.252 0.000 1.132) 3.443 5.590 ( -0.879 0.000 -1.065) 1.380 5.784 ( -0.484 0.000 -0.430) 0.647 5.801 ( -3.753 0.000 2.478) 4.497 6.097 ( 8.968 0.000 -5.766) 10.662 6.245 ( -5.663 0.000 7.604) 9.481 6.305 ( 1.928 0.000 -0.091) 1.930 6.310 ( 0.001 0.000 3.178) 3.178 6.604 ( 4.360 0.000 -4.013) 5.926 6.706 ( -6.052 0.000 7.061) 9.300 6.896 ( -0.240 0.000 -0.830) 0.864 6.973 ( -1.159 0.000 -2.525) 2.778 7.193 ( 4.087 0.000 -0.170) 4.090 7.336 ( -4.049 0.000 -0.699) 4.109 7.389 ( -1.638 0.000 -1.139) 1.995 7.471 ( -5.774 0.000 0.775) 5.826 7.784 ( -0.800 0.000 -0.265) 0.843 7.793 ( -1.526 0.000 2.029) 2.539 7.855 ( 2.439 0.000 -0.427) 2.476 7.966 ( -2.790 0.000 -2.836) 3.978 8.358 ( 1.864 0.000 1.214) 2.224 8.399 ( -2.494 0.000 4.275) 4.950 8.633 ( 1.543 0.000 -2.421) 2.871 8.640 ( -1.230 0.000 2.052) 2.392 8.945 ( -2.618 0.000 6.973) 7.448 8.968 ( 2.688 0.000 -4.866) 5.559 9.298 ( 1.418 0.000 -3.490) 3.767 9.316 ( -2.999 0.000 3.558) 4.654 9.559 ( -0.524 0.000 1.103) 1.221 9.596 ( -0.557 0.000 -3.071) 3.121 9.634 ( 2.772 0.000 2.065) 3.456 9.776 ( -2.350 0.000 -1.767) 2.940 10.155 ( 2.083 0.000 12.457) 12.630 10.411 ( -4.992 0.000 2.062) 5.401 10.766 ( 4.782 0.000 -6.425) 8.009 10.882 ( -5.305 0.000 -1.678) 5.564 11.389 ( -1.725 0.000 -4.867) 5.163 11.396 ( 0.321 0.000 -5.453) 5.463 11.843 ( 1.167 0.000 -2.469) 2.731 11.848 ( -1.163 0.000 1.728) 2.083 12.783 ( 4.181 0.000 0.920) 4.281 12.969 ( -4.727 0.000 -0.412) 4.745 13.344 ( -0.825 0.000 2.183) 2.334 13.397 ( -1.245 0.000 -1.959) 2.321 13.863 ( -0.739 0.000 2.405) 2.516 13.883 ( 0.473 0.000 -1.453) 1.528 14.568 ( 1.764 0.000 -0.849) 1.957 14.609 ( -1.336 0.000 0.784) 1.549 14.777 ( 2.576 0.000 2.433) 3.543 14.865 ( 0.074 0.000 -1.771) 1.772 15.408 ( 2.807 0.000 0.723) 2.899 15.436 ( 1.051 0.000 2.055) 2.308 15.969 ( -2.864 0.000 4.758) 5.554 16.009 ( 1.496 0.000 -5.880) 6.067 16.247 ( 0.021 0.000 1.339) 1.340 16.311 ( 0.892 0.000 -4.110) 4.206 16.670 ( -2.998 0.000 8.214) 8.744 16.732 ( 4.668 0.000 -6.304) 7.844 16.861 ( -3.373 0.000 15.606) 15.966 17.190 ( -2.258 0.000 -0.497) 2.313 17.286 ( -1.970 0.000 4.755) 5.147 17.490 ( -6.593 0.000 -21.588) 22.572 17.698 ( -1.574 0.000 1.126) 1.936 17.700 ( -0.148 0.000 -1.261) 1.270 18.148 ( 0.970 0.000 5.078) 5.170 18.334 ( -3.945 0.000 -4.066) 5.666 19.089 ( 1.668 0.000 1.066) 1.980 19.220 ( -1.960 0.000 -5.609) 5.941 19.610 ( 1.969 0.000 1.248) 2.331 19.630 ( -1.572 0.000 4.209) 4.493 20.065 ( 0.217 0.000 3.413) 3.419 20.199 ( -2.518 0.000 -5.880) 6.397 20.335 ( 1.379 0.000 2.783) 3.106 20.402 ( 1.142 0.000 -3.369) 3.557 ======================= Grid point 161 (84/96) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 3.238 0.000 -2.382) 4.020 0.859 ( -3.238 0.000 2.382) 4.020 1.255 ( 1.760 0.000 -5.021) 5.321 1.255 ( -1.760 0.000 5.021) 5.321 1.296 ( 0.603 0.000 -6.440) 6.468 1.296 ( -0.603 0.000 6.440) 6.468 1.517 ( -4.618 0.000 -3.024) 5.520 1.517 ( 4.618 0.000 3.024) 5.520 1.658 ( 2.292 0.000 -5.082) 5.575 1.658 ( -2.292 0.000 5.082) 5.575 1.967 ( 1.669 0.000 -6.650) 6.856 1.967 ( -1.669 0.000 6.650) 6.856 2.105 ( -1.410 0.000 -8.297) 8.416 2.105 ( 1.410 0.000 8.297) 8.416 2.236 ( 0.789 0.000 -0.533) 0.952 2.236 ( -0.789 0.000 0.533) 0.952 2.307 ( -4.300 0.000 -2.953) 5.217 2.307 ( 4.300 0.000 2.953) 5.217 2.387 ( -7.627 0.000 -2.946) 8.177 2.387 ( 7.627 0.000 2.946) 8.177 2.538 ( 1.739 0.000 -3.240) 3.677 2.538 ( -1.739 0.000 3.240) 3.677 2.805 ( 0.732 0.000 -0.523) 0.900 2.805 ( -0.732 0.000 0.523) 0.900 2.881 ( -5.869 0.000 1.676) 6.104 2.881 ( 5.869 0.000 -1.676) 6.104 3.067 ( 3.589 0.000 -4.333) 5.626 3.067 ( -3.589 0.000 4.333) 5.626 3.307 ( -3.289 0.000 -2.699) 4.255 3.307 ( 3.289 0.000 2.699) 4.255 3.389 ( -0.035 0.000 -1.355) 1.355 3.389 ( 0.035 0.000 1.355) 1.355 3.400 ( -3.601 0.000 -0.090) 3.602 3.400 ( 3.601 0.000 0.090) 3.602 3.985 ( -3.334 0.000 -2.513) 4.175 3.985 ( 3.334 0.000 2.513) 4.175 4.214 ( -2.174 0.000 -4.097) 4.638 4.214 ( 2.174 0.000 4.097) 4.638 4.536 ( 4.407 0.000 -3.045) 5.357 4.536 ( -4.407 0.000 3.045) 5.357 4.648 ( -0.330 0.000 -3.363) 3.380 4.648 ( 0.330 0.000 3.363) 3.380 5.028 ( -0.168 0.000 -1.590) 1.599 5.028 ( 0.168 0.000 1.590) 1.599 5.444 ( -0.462 0.000 -2.767) 2.805 5.444 ( 0.462 0.000 2.767) 2.805 5.580 ( 1.041 0.000 -0.738) 1.276 5.580 ( -1.041 0.000 0.738) 1.276 5.776 ( 1.027 0.000 -1.321) 1.673 5.776 ( -1.027 0.000 1.321) 1.673 6.191 ( 8.527 0.000 -6.223) 10.556 6.191 ( -8.527 0.000 6.223) 10.556 6.324 ( 1.017 0.000 -1.417) 1.744 6.324 ( -1.017 0.000 1.417) 1.744 6.654 ( 5.930 0.000 -4.008) 7.157 6.654 ( -5.930 0.000 4.008) 7.157 6.922 ( -1.715 0.000 -2.378) 2.932 6.922 ( 1.715 0.000 2.378) 2.932 7.266 ( -3.623 0.000 -1.023) 3.764 7.266 ( 3.623 0.000 1.023) 3.764 7.396 ( -3.686 0.000 1.024) 3.826 7.396 ( 3.686 0.000 -1.024) 3.826 7.780 ( 1.610 0.000 -1.580) 2.256 7.780 ( -1.610 0.000 1.580) 2.256 7.903 ( -2.200 0.000 -1.820) 2.855 7.903 ( 2.200 0.000 1.820) 2.855 8.390 ( 1.956 0.000 -1.369) 2.388 8.390 ( -1.956 0.000 1.369) 2.388 8.637 ( 1.169 0.000 -1.568) 1.955 8.637 ( -1.169 0.000 1.568) 1.955 8.962 ( 2.189 0.000 -4.998) 5.456 8.962 ( -2.189 0.000 4.998) 5.456 9.299 ( 2.431 0.000 -3.016) 3.874 9.299 ( -2.431 0.000 3.016) 3.874 9.569 ( -0.224 0.000 -1.386) 1.404 9.569 ( 0.224 0.000 1.386) 1.404 9.707 ( -3.433 0.000 -1.960) 3.953 9.707 ( 3.433 0.000 1.960) 3.953 10.308 ( -4.367 0.000 -6.961) 8.217 10.308 ( 4.367 0.000 6.961) 8.217 10.796 ( 4.002 0.000 -1.367) 4.229 10.796 ( -4.002 0.000 1.367) 4.229 11.364 ( 0.717 0.000 -2.548) 2.647 11.364 ( -0.717 0.000 2.548) 2.647 11.844 ( 1.291 0.000 -1.872) 2.274 11.844 ( -1.291 0.000 1.872) 2.274 12.874 ( -5.221 0.000 -1.241) 5.366 12.874 ( 5.221 0.000 1.241) 5.366 13.362 ( -0.350 0.000 -2.260) 2.287 13.362 ( 0.350 0.000 2.260) 2.287 13.874 ( 0.519 0.000 -2.069) 2.133 13.874 ( -0.519 0.000 2.069) 2.133 14.590 ( 1.675 0.000 -0.689) 1.811 14.590 ( -1.675 0.000 0.689) 1.811 14.835 ( -1.319 0.000 -2.487) 2.815 14.835 ( 1.319 0.000 2.487) 2.815 15.446 ( 1.409 0.000 -0.591) 1.528 15.446 ( -1.409 0.000 0.591) 1.528 15.980 ( 1.897 0.000 -5.682) 5.990 15.980 ( -1.897 0.000 5.682) 5.990 16.274 ( -0.846 0.000 -2.609) 2.743 16.274 ( 0.846 0.000 2.609) 2.743 16.703 ( 1.794 0.000 -7.154) 7.376 16.703 ( -1.794 0.000 7.154) 7.376 17.049 ( -5.411 0.000 -13.757) 14.783 17.049 ( 5.411 0.000 13.757) 14.783 17.311 ( 1.481 0.000 -8.352) 8.482 17.311 ( -1.481 0.000 8.352) 8.482 17.692 ( 0.498 0.000 -1.065) 1.175 17.692 ( -0.498 0.000 1.065) 1.175 18.231 ( -2.820 0.000 -5.270) 5.977 18.231 ( 2.820 0.000 5.270) 5.977 19.143 ( -1.678 0.000 -4.082) 4.414 19.143 ( 1.678 0.000 4.082) 4.414 19.635 ( 0.995 0.000 -1.058) 1.452 19.635 ( -0.995 0.000 1.058) 1.452 20.114 ( -1.020 0.000 -5.149) 5.249 20.114 ( 1.020 0.000 5.149) 5.249 20.377 ( -0.156 0.000 -3.365) 3.368 20.377 ( 0.156 0.000 3.365) 3.368 ======================= Grid point 167 (85/96) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -4.349 -0.785 -4.773) 6.505 0.993 ( 4.349 -0.785 4.773) 6.505 1.203 ( -2.835 -5.767 -8.554) 10.699 1.203 ( 2.835 -5.767 8.554) 10.699 1.299 ( -2.263 0.668 0.048) 2.361 1.299 ( 2.263 0.668 -0.048) 2.361 1.400 ( 2.556 -2.446 -3.241) 4.798 1.400 ( -2.556 -2.446 3.241) 4.798 1.622 ( -1.324 -2.377 -9.798) 10.168 1.622 ( 1.324 -2.377 9.798) 10.168 1.736 ( -2.435 1.120 -6.363) 6.904 1.736 ( 2.435 1.120 6.363) 6.904 1.910 ( -1.641 -2.202 -2.483) 3.703 1.910 ( 1.641 -2.202 2.483) 3.703 2.064 ( -3.399 -2.953 -0.927) 4.597 2.064 ( 3.399 -2.953 0.927) 4.597 2.430 ( 3.163 7.667 -3.436) 8.977 2.430 ( -3.163 7.667 3.436) 8.977 2.551 ( -0.099 0.288 -2.698) 2.715 2.551 ( 0.099 0.288 2.698) 2.715 2.703 ( -2.927 4.399 -3.930) 6.585 2.703 ( 2.927 4.399 3.930) 6.585 2.846 ( 1.618 2.605 -4.805) 5.700 2.846 ( -1.618 2.605 4.805) 5.700 2.937 ( 0.167 1.447 -2.381) 2.791 2.937 ( -0.167 1.447 2.381) 2.791 3.065 ( 0.695 1.579 -5.132) 5.414 3.065 ( -0.695 1.579 5.132) 5.414 3.210 ( -2.253 2.302 -0.916) 3.348 3.210 ( 2.253 2.302 0.916) 3.348 3.357 ( 1.043 2.971 -1.650) 3.555 3.357 ( -1.043 2.971 1.650) 3.555 3.655 ( 0.343 -3.311 -6.230) 7.063 3.655 ( -0.343 -3.311 6.230) 7.063 4.054 ( 4.585 -4.276 -4.110) 7.497 4.054 ( -4.585 -4.276 4.110) 7.497 4.287 ( 3.602 -7.577 -10.686) 13.586 4.287 ( -3.602 -7.577 10.686) 13.586 4.459 ( -0.803 -2.898 -2.840) 4.137 4.459 ( 0.803 -2.898 2.840) 4.137 4.794 ( 4.159 4.150 -4.520) 7.413 4.794 ( -4.159 4.150 4.520) 7.413 4.922 ( -0.552 4.452 -2.139) 4.970 4.922 ( 0.552 4.452 2.139) 4.970 5.107 ( -0.828 0.006 -1.579) 1.783 5.107 ( 0.828 0.006 1.579) 1.783 5.365 ( -0.375 -4.294 -6.444) 7.752 5.365 ( 0.375 -4.294 6.444) 7.753 5.693 ( 0.163 -3.015 -2.863) 4.161 5.693 ( -0.163 -3.015 2.863) 4.161 6.156 ( 0.539 1.065 -2.542) 2.808 6.156 ( -0.539 1.065 2.542) 2.808 6.223 ( 2.326 9.098 -4.743) 10.521 6.223 ( -2.326 9.098 4.743) 10.521 6.719 ( 3.811 -4.196 -8.036) 9.834 6.719 ( -3.811 -4.196 8.036) 9.834 7.109 ( -3.565 1.610 -3.571) 5.297 7.109 ( 3.565 1.610 3.571) 5.297 7.346 ( -2.568 2.672 -2.795) 4.641 7.346 ( 2.568 2.672 2.795) 4.641 7.583 ( -2.849 -5.499 -0.414) 6.207 7.583 ( 2.849 -5.499 0.414) 6.207 7.756 ( -0.411 0.646 -1.415) 1.609 7.756 ( 0.411 0.646 1.415) 1.609 8.008 ( 0.639 -3.316 -2.311) 4.092 8.008 ( -0.639 -3.316 2.311) 4.092 8.309 ( 1.278 0.796 -3.833) 4.118 8.309 ( -1.278 0.796 3.833) 4.118 8.730 ( -0.302 4.301 -1.803) 4.673 8.730 ( 0.302 4.301 1.803) 4.673 8.997 ( 4.578 5.233 -5.356) 8.777 8.997 ( -4.578 5.233 5.356) 8.777 9.320 ( 0.697 -1.712 -5.496) 5.799 9.320 ( -0.697 -1.712 5.496) 5.799 9.632 ( 4.515 -3.192 -6.032) 8.183 9.632 ( -4.515 -3.192 6.032) 8.183 9.752 ( 0.942 0.945 -6.869) 6.997 9.752 ( -0.942 0.945 6.869) 6.997 10.168 ( -16.428 -7.998 4.273) 18.764 10.168 ( 16.428 -7.998 -4.273) 18.764 10.506 ( 3.325 -1.523 -3.444) 5.024 10.506 ( -3.325 -1.523 3.444) 5.024 11.672 ( -0.443 0.600 -0.719) 1.036 11.672 ( 0.443 0.600 0.719) 1.036 12.109 ( -2.678 17.548 -4.295) 18.263 12.109 ( 2.678 17.548 4.295) 18.263 12.744 ( -1.315 -7.470 -6.751) 10.154 12.744 ( 1.315 -7.470 6.751) 10.154 13.464 ( 1.404 2.153 -1.399) 2.926 13.464 ( -1.404 2.153 1.399) 2.926 13.884 ( 1.574 -0.428 -1.041) 1.935 13.884 ( -1.574 -0.428 1.041) 1.935 14.594 ( 0.026 -0.296 -1.213) 1.248 14.594 ( -0.026 -0.296 1.213) 1.248 14.699 ( -1.329 -1.683 -3.114) 3.780 14.699 ( 1.329 -1.683 3.114) 3.780 15.297 ( -0.179 0.250 -0.800) 0.857 15.297 ( 0.179 0.250 0.800) 0.857 15.995 ( 2.615 -2.105 -1.996) 3.906 15.995 ( -2.615 -2.105 1.996) 3.906 16.200 ( 0.460 0.455 -0.969) 1.165 16.200 ( -0.460 0.455 0.969) 1.165 16.572 ( 3.452 -1.591 -6.708) 7.710 16.572 ( -3.452 -1.591 6.708) 7.710 17.195 ( -0.277 0.197 -0.888) 0.951 17.195 ( 0.277 0.197 0.888) 0.951 17.735 ( -4.532 -2.370 -0.474) 5.136 17.735 ( 4.532 -2.370 0.474) 5.136 17.898 ( -11.249 -0.356 0.063) 11.255 17.898 ( 11.249 -0.356 -0.063) 11.255 18.359 ( -2.416 -1.436 -3.067) 4.160 18.359 ( 2.416 -1.436 3.067) 4.160 19.282 ( 0.115 0.311 -1.956) 1.984 19.282 ( -0.115 0.311 1.956) 1.984 19.519 ( -0.410 4.236 -0.959) 4.362 19.519 ( 0.410 4.236 0.959) 4.362 20.186 ( -4.996 1.557 -0.657) 5.274 20.186 ( 4.996 1.557 0.657) 5.274 20.344 ( -1.700 -0.928 -2.173) 2.911 20.344 ( 1.700 -0.928 2.173) 2.911 ======================= Grid point 169 (86/96) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.631 -1.394 -10.523) 11.219 1.018 ( -2.305 -1.422 -5.330) 5.979 1.117 ( 1.426 1.244 0.469) 1.950 1.257 ( 0.299 -2.605 -1.709) 3.130 1.278 ( -3.618 0.518 5.917) 6.955 1.348 ( -1.975 -1.705 -0.002) 2.609 1.398 ( 1.818 -2.546 7.090) 7.749 1.445 ( 4.042 -3.078 -2.737) 5.771 1.561 ( 1.477 1.852 -4.071) 4.710 1.647 ( -0.062 2.508 -4.125) 4.828 1.796 ( 3.181 -3.071 11.652) 12.463 1.824 ( 3.846 -0.788 3.743) 5.424 1.901 ( 1.898 -2.156 -0.180) 2.878 1.991 ( -4.083 -0.583 0.822) 4.206 1.997 ( 5.988 -5.286 0.726) 8.020 2.110 ( -0.657 -1.601 3.634) 4.025 2.367 ( -6.977 5.926 0.119) 9.154 2.446 ( 3.291 3.274 -3.831) 6.019 2.489 ( -2.534 3.890 -0.338) 4.654 2.590 ( 0.890 -1.866 -1.730) 2.695 2.624 ( -0.871 3.849 -4.558) 6.030 2.769 ( 2.249 -0.131 -0.327) 2.277 2.842 ( 1.800 3.628 -1.037) 4.181 2.875 ( -0.384 1.237 1.630) 2.082 2.929 ( 0.689 1.910 -1.191) 2.354 2.967 ( 1.156 2.927 1.769) 3.611 3.037 ( 1.409 0.860 -3.842) 4.182 3.113 ( 0.398 4.567 5.411) 7.092 3.161 ( -3.300 1.315 1.239) 3.762 3.249 ( 0.054 1.195 2.788) 3.034 3.325 ( -2.642 1.738 -0.410) 3.189 3.371 ( 1.893 2.800 -1.091) 3.551 3.610 ( 1.770 -1.725 -5.499) 6.029 3.687 ( -0.762 -0.419 1.770) 1.972 4.000 ( -6.248 -3.781 3.949) 8.302 4.058 ( 0.359 -1.326 -4.546) 4.749 4.252 ( 5.019 -10.823 -8.760) 14.801 4.293 ( -3.255 -6.178 0.274) 6.988 4.468 ( 1.795 -2.578 3.311) 4.564 4.501 ( -0.239 -1.623 3.125) 3.529 4.742 ( -4.238 6.306 2.456) 7.985 4.825 ( 3.606 2.442 -5.024) 6.649 4.903 ( 0.726 6.109 -2.007) 6.471 4.975 ( 2.587 1.105 3.456) 4.456 5.099 ( 0.730 -1.646 -1.010) 2.065 5.177 ( 3.788 0.941 5.116) 6.435 5.312 ( 0.401 -5.092 -4.165) 6.591 5.438 ( 1.137 -3.090 5.541) 6.445 5.682 ( 0.573 -4.597 -0.608) 4.673 5.725 ( -0.512 -2.691 4.394) 5.178 6.145 ( 0.554 3.705 -1.361) 3.986 6.181 ( 0.757 -1.181 1.466) 2.029 6.214 ( -0.558 7.022 1.198) 7.145 6.251 ( -0.318 9.145 4.502) 10.198 6.656 ( -3.066 -3.569 -1.986) 5.107 6.758 ( 1.423 -3.852 0.078) 4.107 6.996 ( -5.168 1.469 -2.598) 5.968 7.170 ( -0.463 1.092 1.857) 2.204 7.259 ( -4.020 2.131 -2.312) 5.104 7.396 ( 0.156 -0.801 1.731) 1.914 7.548 ( -0.191 -1.685 -0.289) 1.721 7.649 ( 3.653 -2.100 0.997) 4.330 7.743 ( 0.643 0.373 -1.684) 1.841 7.781 ( 0.274 0.300 1.615) 1.665 7.974 ( -2.116 -0.203 0.503) 2.184 8.034 ( 0.775 -4.947 0.211) 5.012 8.289 ( -0.093 1.183 -1.781) 2.140 8.323 ( -1.667 -0.402 4.195) 4.532 8.692 ( -2.120 3.727 -0.373) 4.304 8.751 ( -0.622 3.409 1.359) 3.722 8.954 ( -5.567 3.916 4.914) 8.395 9.019 ( 2.939 5.588 -4.505) 7.756 9.275 ( 0.419 -2.384 -4.288) 4.924 9.353 ( -1.655 -0.105 4.882) 5.156 9.597 ( -3.104 -1.701 2.292) 4.217 9.653 ( 0.065 -1.061 -3.094) 3.272 9.691 ( 0.935 -4.497 -5.046) 6.823 9.797 ( -0.865 1.712 4.386) 4.787 9.979 ( -11.911 -0.516 8.943) 14.904 10.328 ( 1.673 -13.685 2.089) 13.944 10.565 ( 9.135 -2.203 -0.434) 9.407 10.584 ( 8.140 -1.739 -1.423) 8.444 11.626 ( -2.542 2.547 -1.691) 3.976 11.683 ( 0.848 -1.262 -2.784) 3.172 12.032 ( -2.609 14.661 -1.973) 15.022 12.182 ( -0.240 19.144 5.312) 19.868 12.661 ( -1.357 -8.138 -4.901) 9.596 12.835 ( 1.282 -8.001 6.587) 10.443 13.446 ( -2.498 2.316 1.735) 3.822 13.468 ( 0.370 1.889 -0.601) 2.017 13.870 ( -1.374 0.324 1.560) 2.104 13.897 ( 0.885 -0.314 -0.795) 1.231 14.576 ( -0.649 -0.248 -1.550) 1.699 14.597 ( -0.848 -1.058 1.023) 1.699 14.670 ( 1.186 0.203 -2.231) 2.534 14.757 ( 2.244 -2.837 2.115) 4.190 15.289 ( 0.384 0.414 -0.800) 0.979 15.306 ( 0.375 -0.060 0.348) 0.515 15.978 ( -1.610 -1.866 1.952) 3.144 16.030 ( 3.499 -2.389 -1.865) 4.629 16.185 ( -1.396 0.513 1.249) 1.942 16.224 ( 1.149 0.195 0.785) 1.406 16.528 ( -2.574 -1.594 0.517) 3.072 16.618 ( 2.828 -2.282 -0.504) 3.668 17.174 ( -1.482 0.982 -0.916) 2.000 17.202 ( -0.234 -0.165 0.653) 0.713 17.520 ( -18.331 4.771 5.851) 19.825 17.758 ( -0.835 -2.196 -0.446) 2.392 17.795 ( -2.947 -0.070 0.035) 2.948 18.034 ( -0.574 -11.367 1.578) 11.491 18.345 ( 2.374 2.647 0.067) 3.556 18.427 ( 0.677 -1.980 4.318) 4.798 19.294 ( 1.239 1.087 -1.645) 2.329 19.323 ( 2.335 -0.750 1.168) 2.717 19.478 ( -1.046 4.389 -1.851) 4.877 19.521 ( 0.396 3.685 -0.927) 3.820 20.084 ( -4.778 3.069 -0.385) 5.692 20.242 ( 0.088 -2.823 -1.918) 3.414 20.324 ( 3.530 2.092 -1.380) 4.330 20.387 ( 1.526 -0.381 -0.139) 1.579 ======================= Grid point 170 (87/96) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 3.054 4.210 -6.447) 8.283 0.941 ( -1.547 3.309 -3.235) 4.879 1.133 ( -0.696 -0.615 1.147) 1.475 1.243 ( -1.738 -2.792 1.888) 3.792 1.278 ( -1.982 1.114 4.026) 4.623 1.345 ( 1.358 0.092 -0.213) 1.378 1.433 ( -0.338 -2.035 0.129) 2.067 1.505 ( 3.754 -4.004 -0.471) 5.509 1.586 ( 1.229 2.579 3.186) 4.279 1.662 ( 5.682 4.745 -1.899) 7.643 1.840 ( 0.974 -3.607 -2.038) 4.256 1.940 ( -2.823 4.439 4.889) 7.181 1.962 ( 4.444 0.910 -0.289) 4.545 1.992 ( 2.324 -3.281 4.577) 6.092 2.106 ( 3.238 -3.584 4.992) 6.946 2.152 ( 3.010 -4.763 4.256) 7.061 2.230 ( -7.523 6.267 -0.290) 9.796 2.437 ( -3.001 4.468 -0.836) 5.447 2.466 ( 2.625 -1.299 -3.217) 4.350 2.542 ( -1.744 -2.154 -3.750) 4.663 2.608 ( 1.201 2.307 -1.908) 3.226 2.782 ( 1.925 -2.284 -3.731) 4.780 2.850 ( -2.228 1.802 -0.551) 2.918 2.861 ( 0.784 0.188 -0.776) 1.119 2.921 ( -0.372 3.351 -2.535) 4.218 2.979 ( -1.579 2.962 0.657) 3.420 3.037 ( 1.551 0.679 -0.880) 1.908 3.138 ( 0.397 2.339 -0.413) 2.408 3.184 ( 0.685 -0.512 5.691) 5.755 3.239 ( -2.447 -1.903 -1.618) 3.497 3.289 ( -2.622 5.686 3.162) 7.015 3.405 ( 3.251 1.526 -1.239) 3.799 3.603 ( 2.052 -0.046 -3.897) 4.405 3.680 ( 0.160 2.099 -1.195) 2.420 3.919 ( -7.393 -1.971 2.403) 8.020 4.005 ( 0.212 0.225 -5.100) 5.109 4.211 ( -2.451 -5.709 -3.937) 7.355 4.290 ( 4.149 -9.972 -2.049) 10.994 4.492 ( -2.832 1.307 1.166) 3.330 4.536 ( 2.686 -1.212 0.754) 3.042 4.711 ( -3.377 8.761 4.188) 10.281 4.821 ( 2.629 3.173 -6.191) 7.437 4.924 ( 3.300 4.236 -0.309) 5.378 5.066 ( 2.609 -0.645 3.484) 4.400 5.109 ( 2.508 -4.473 0.485) 5.151 5.292 ( 2.398 1.149 -0.874) 2.799 5.323 ( 3.668 -6.110 6.662) 9.756 5.498 ( 0.830 -2.448 3.209) 4.120 5.696 ( 0.654 -6.274 0.781) 6.356 5.749 ( -1.554 -2.909 3.971) 5.162 6.144 ( 0.811 6.248 -1.613) 6.503 6.206 ( 1.304 -1.413 0.220) 1.935 6.228 ( -0.764 3.078 3.935) 5.054 6.291 ( -1.663 6.420 6.769) 9.476 6.591 ( -1.960 -1.887 -2.124) 3.451 6.766 ( -0.181 -3.880 -0.781) 3.962 6.903 ( -3.432 1.400 -1.408) 3.965 7.136 ( -5.105 -1.654 1.722) 5.636 7.183 ( -1.776 2.337 -2.548) 3.886 7.382 ( -2.664 -2.299 0.859) 3.623 7.568 ( 2.279 3.361 -1.024) 4.188 7.692 ( -0.157 3.630 -0.172) 3.638 7.755 ( 2.437 -1.815 -0.402) 3.065 7.785 ( -1.739 1.245 2.735) 3.472 7.948 ( -1.523 3.004 -0.197) 3.374 8.033 ( -0.651 -4.676 -0.804) 4.789 8.285 ( 0.524 0.837 0.833) 1.292 8.340 ( -1.235 -1.496 4.635) 5.024 8.652 ( -1.769 1.634 -1.092) 2.644 8.732 ( -3.053 2.498 1.348) 4.169 8.920 ( -5.024 2.547 7.047) 9.021 9.007 ( 0.559 3.067 -3.807) 4.920 9.263 ( 2.791 -1.253 -4.327) 5.299 9.360 ( -2.976 0.632 4.811) 5.692 9.564 ( -3.936 -3.672 2.568) 5.964 9.605 ( -0.083 3.196 -2.374) 3.982 9.673 ( 0.533 -4.515 -4.572) 6.448 9.814 ( -0.530 -0.931 2.857) 3.052 9.946 ( -3.964 2.310 9.583) 10.625 10.334 ( -2.344 -11.206 3.156) 11.876 10.666 ( 7.489 -1.239 -4.552) 8.851 10.756 ( 7.514 -6.176 2.310) 9.997 11.561 ( -2.400 3.422 -2.966) 5.125 11.644 ( -0.786 -1.621 -5.500) 5.788 11.986 ( -1.452 12.186 -0.664) 12.290 12.182 ( -4.426 19.819 2.817) 20.502 12.610 ( -0.060 -9.249 -3.073) 9.746 12.894 ( -1.393 -9.913 5.236) 11.297 13.419 ( -2.643 2.702 1.961) 4.258 13.468 ( -0.353 1.236 0.284) 1.316 13.869 ( -0.862 1.276 2.000) 2.524 13.898 ( 0.271 0.422 -0.747) 0.900 14.552 ( -0.217 -0.132 -1.334) 1.358 14.594 ( -0.767 -1.766 1.297) 2.322 14.686 ( 2.345 1.237 -1.063) 2.857 14.806 ( 2.057 -3.220 0.365) 3.839 15.302 ( 1.804 0.237 0.014) 1.819 15.325 ( 1.616 -0.361 0.625) 1.770 15.974 ( -1.345 -1.181 2.014) 2.694 16.069 ( 3.040 -1.502 -2.000) 3.936 16.179 ( -0.623 -0.784 1.117) 1.500 16.252 ( 0.836 -0.466 1.573) 1.841 16.498 ( -2.126 -2.120 1.281) 3.265 16.650 ( 2.286 -4.660 -2.254) 5.659 17.114 ( -6.017 5.220 1.308) 8.072 17.202 ( -0.410 -0.225 0.542) 0.716 17.339 ( -11.003 5.702 9.059) 15.350 17.719 ( -3.534 -3.025 -0.097) 4.652 17.752 ( -1.810 0.175 -0.767) 1.974 17.989 ( -4.771 -12.123 3.441) 13.475 18.311 ( -6.601 5.470 -2.712) 8.992 18.456 ( -0.953 -2.160 0.561) 2.427 19.205 ( -3.797 2.908 -8.375) 9.645 19.334 ( -1.067 -2.797 -3.742) 4.792 19.498 ( 2.699 2.953 2.212) 4.572 19.570 ( 2.753 2.283 5.086) 6.217 20.040 ( -0.625 3.063 0.346) 3.146 20.215 ( 0.011 -3.352 -1.720) 3.768 20.380 ( 3.523 1.613 -1.678) 4.223 20.388 ( 0.149 1.033 -1.994) 2.250 ======================= Grid point 171 (88/96) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 5.819 5.852 1.992) 8.490 0.907 ( 1.076 6.783 -2.673) 7.369 1.134 ( -0.911 -3.021 2.363) 3.942 1.235 ( -2.385 -2.986 3.758) 5.360 1.288 ( -0.027 1.107 1.295) 1.704 1.357 ( -0.670 0.411 0.286) 0.836 1.444 ( 1.531 -0.187 0.506) 1.623 1.549 ( 2.399 -4.038 -0.600) 4.735 1.633 ( 1.496 0.990 2.385) 2.984 1.767 ( 6.038 5.724 -0.065) 8.320 1.860 ( 2.410 -3.936 -0.383) 4.632 1.916 ( -2.899 3.289 1.208) 4.548 1.987 ( 0.330 3.164 -0.218) 3.188 2.041 ( 1.425 1.989 0.966) 2.631 2.119 ( -3.087 2.173 1.609) 4.103 2.192 ( 2.856 1.675 1.596) 3.676 2.313 ( 6.468 -5.719 3.367) 9.267 2.385 ( -2.493 4.256 1.528) 5.164 2.465 ( -0.862 -1.527 -0.640) 1.867 2.483 ( -0.075 -3.116 -4.416) 5.405 2.617 ( 0.602 3.012 0.672) 3.145 2.744 ( -2.702 0.682 -4.030) 4.900 2.815 ( -0.359 0.692 -1.758) 1.923 2.843 ( -1.566 1.122 -1.462) 2.418 2.868 ( -2.336 2.469 -1.561) 3.741 2.972 ( -0.070 0.957 0.519) 1.091 3.046 ( 0.504 -0.567 -1.780) 1.934 3.138 ( 0.729 2.345 -1.630) 2.947 3.153 ( -4.793 -3.428 -0.940) 5.967 3.248 ( -0.535 -3.252 5.229) 6.181 3.280 ( 0.818 3.440 -1.418) 3.810 3.439 ( 2.232 0.467 -2.650) 3.496 3.577 ( -1.471 0.172 -5.034) 5.247 3.684 ( 2.835 -0.543 -1.468) 3.238 3.805 ( -6.768 3.901 0.226) 7.815 3.981 ( 0.567 -2.330 -2.376) 3.375 4.163 ( -0.562 -2.800 0.230) 2.865 4.344 ( 4.144 -8.953 -1.777) 10.024 4.451 ( -2.295 4.481 0.575) 5.067 4.563 ( 0.776 -0.260 -0.717) 1.088 4.707 ( -2.181 10.727 4.754) 11.934 4.801 ( 2.671 4.860 -7.107) 9.015 4.990 ( 3.220 3.081 1.370) 4.662 5.083 ( -0.945 -0.561 0.941) 1.446 5.226 ( 5.707 -5.791 4.542) 9.313 5.324 ( 2.542 -3.395 1.075) 4.375 5.450 ( 3.049 -4.267 5.145) 7.347 5.520 ( -0.288 -2.534 0.506) 2.600 5.707 ( -0.622 -6.398 0.970) 6.501 5.749 ( -1.861 -2.656 2.197) 3.917 6.143 ( 1.495 6.492 -2.149) 7.000 6.230 ( 1.104 -1.639 0.559) 2.054 6.258 ( -0.674 0.159 4.362) 4.416 6.316 ( -2.958 3.572 6.212) 7.752 6.562 ( -0.397 -1.197 0.147) 1.270 6.733 ( -1.577 -6.061 -3.100) 6.988 6.859 ( -1.327 3.126 0.706) 3.469 7.054 ( -5.904 -3.471 1.243) 6.961 7.162 ( 1.688 3.431 -1.687) 4.179 7.347 ( -2.024 0.078 0.626) 2.120 7.578 ( 0.524 5.379 -1.686) 5.661 7.656 ( -2.798 5.077 -1.018) 5.886 7.764 ( -2.085 0.642 2.011) 2.967 7.818 ( 1.997 0.168 1.848) 2.726 7.909 ( -1.758 4.355 -2.005) 5.106 7.999 ( -2.003 -2.585 -1.052) 3.435 8.323 ( 1.688 0.820 2.468) 3.101 8.369 ( -0.697 -1.293 4.464) 4.699 8.617 ( -0.514 -0.546 -1.950) 2.089 8.686 ( -3.435 1.106 1.071) 3.765 8.922 ( -3.474 1.180 7.653) 8.487 8.978 ( 0.175 0.514 -3.029) 3.077 9.269 ( 2.198 -1.397 -3.716) 4.538 9.347 ( -3.940 0.003 4.286) 5.822 9.532 ( -1.879 -2.353 1.445) 3.340 9.595 ( 1.985 -1.402 -5.745) 6.238 9.643 ( -0.321 2.086 1.241) 2.448 9.832 ( 0.525 0.191 -0.162) 0.582 10.001 ( -1.384 0.023 10.909) 10.996 10.323 ( -2.487 -10.185 2.654) 10.815 10.730 ( 5.769 -0.225 -5.252) 7.805 10.848 ( 1.984 -5.632 0.502) 5.993 11.492 ( -2.208 3.380 -3.322) 5.228 11.557 ( -1.743 0.400 -7.533) 7.743 11.967 ( -0.325 11.157 -0.368) 11.168 12.110 ( -4.974 19.364 0.017) 19.993 12.604 ( 1.855 -10.562 -1.268) 10.799 12.884 ( -4.085 -11.679 2.553) 12.633 13.399 ( -1.994 3.058 2.065) 4.194 13.455 ( -1.301 1.115 -0.209) 1.726 13.874 ( -0.755 1.587 1.827) 2.535 13.897 ( 0.324 0.795 -0.490) 0.989 14.548 ( 0.858 -0.121 -0.612) 1.061 14.595 ( -0.725 -1.824 1.461) 2.447 14.724 ( 2.686 1.036 0.050) 2.880 14.832 ( 1.506 -2.961 -1.011) 3.473 15.347 ( 2.797 -0.072 0.865) 2.929 15.372 ( 2.450 -0.818 1.591) 3.034 15.972 ( -1.387 0.222 2.674) 3.020 16.082 ( 1.224 2.023 -3.001) 3.821 16.186 ( 0.619 -4.167 0.332) 4.226 16.277 ( 0.342 -1.916 1.030) 2.203 16.482 ( -2.172 -3.457 3.027) 5.083 16.639 ( 0.615 -8.662 -5.505) 10.282 17.043 ( -5.260 11.263 6.706) 14.124 17.204 ( -0.025 0.040 0.888) 0.889 17.301 ( -4.762 3.450 8.131) 10.034 17.638 ( -5.403 -4.242 -1.013) 6.943 17.725 ( -0.794 1.018 -0.268) 1.319 17.978 ( -1.741 -10.579 5.593) 12.093 18.092 ( -9.391 12.182 -11.418) 19.156 18.399 ( -3.822 -2.915 -3.311) 5.837 19.098 ( -0.420 1.791 -5.096) 5.418 19.249 ( -2.361 -4.208 -5.777) 7.527 19.576 ( 2.859 2.844 3.124) 5.101 19.651 ( -0.024 1.941 5.994) 6.301 20.049 ( 0.577 1.834 0.770) 2.071 20.208 ( 0.092 -4.028 -1.399) 4.265 20.357 ( -0.263 2.712 -2.371) 3.611 20.409 ( 1.822 0.475 -2.251) 2.934 ======================= Grid point 172 (89/96) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 4.536 5.163 -2.102) 7.187 0.930 ( 0.798 7.660 2.878) 8.222 1.152 ( 0.641 -4.519 2.251) 5.089 1.234 ( -2.419 -4.051 3.771) 6.040 1.287 ( -1.685 1.548 1.084) 2.532 1.333 ( -1.311 -0.167 -1.045) 1.685 1.485 ( 2.995 1.788 0.244) 3.497 1.572 ( 0.263 -2.585 0.698) 2.691 1.686 ( 4.515 4.203 -3.277) 6.985 1.787 ( -7.228 5.283 1.797) 9.131 1.851 ( 3.293 0.137 3.333) 4.688 1.972 ( 4.610 -3.784 -1.045) 6.055 2.018 ( 0.970 0.937 -5.467) 5.631 2.057 ( 1.881 1.654 7.418) 7.830 2.146 ( 0.679 1.229 3.047) 3.355 2.246 ( 4.369 2.500 0.257) 5.040 2.327 ( 0.184 -1.233 -4.318) 4.494 2.423 ( -1.003 3.003 0.904) 3.292 2.431 ( -1.516 1.848 0.183) 2.397 2.479 ( 0.462 -2.543 0.980) 2.764 2.625 ( -2.522 4.932 0.729) 5.588 2.639 ( -1.462 4.687 -4.765) 6.842 2.789 ( -1.153 1.013 -0.189) 1.546 2.822 ( 0.930 -0.046 -0.848) 1.259 2.830 ( -0.772 0.751 -1.082) 1.526 2.951 ( -5.012 -0.733 2.310) 5.567 3.031 ( -0.901 -1.967 0.379) 2.196 3.061 ( -0.901 -2.313 -4.985) 5.569 3.172 ( 3.588 -0.570 0.626) 3.687 3.274 ( -2.257 -4.480 5.206) 7.229 3.286 ( 2.886 -2.138 -4.361) 5.649 3.399 ( -3.672 -4.562 -4.457) 7.360 3.501 ( 0.798 6.078 -4.190) 7.425 3.644 ( -6.589 6.433 -0.924) 9.255 3.806 ( 5.652 -2.395 0.444) 6.155 3.958 ( -2.092 -4.984 -0.312) 5.414 4.196 ( 2.717 0.670 2.295) 3.619 4.354 ( -0.813 -1.791 -3.413) 3.939 4.459 ( 2.180 1.453 1.878) 3.223 4.557 ( -1.251 -0.555 0.170) 1.379 4.725 ( -0.994 10.509 4.273) 11.388 4.777 ( 2.161 7.057 -6.308) 9.709 5.039 ( 1.137 2.455 1.044) 2.900 5.071 ( -1.042 1.733 0.407) 2.063 5.342 ( 3.748 -5.387 2.824) 7.144 5.410 ( 4.523 -3.449 3.527) 6.693 5.483 ( -1.927 -7.532 -0.174) 7.777 5.528 ( 0.976 -3.057 0.510) 3.249 5.697 ( -1.190 -4.460 0.738) 4.675 5.729 ( -1.918 -2.528 0.164) 3.177 6.163 ( 3.611 4.179 -2.150) 5.926 6.245 ( -0.821 -1.089 1.321) 1.899 6.284 ( -0.629 -1.679 3.182) 3.653 6.312 ( -2.810 0.772 3.313) 4.412 6.573 ( 0.062 -2.194 2.543) 3.359 6.667 ( -1.407 -6.493 -4.518) 8.035 6.867 ( 0.578 3.214 1.842) 3.749 6.973 ( -4.336 -1.700 -0.091) 4.658 7.204 ( 4.187 3.207 -0.248) 5.280 7.324 ( -2.029 2.305 0.760) 3.163 7.565 ( -0.407 6.932 -0.753) 6.985 7.597 ( -2.314 7.676 -1.406) 8.140 7.742 ( -1.293 -1.452 0.817) 2.109 7.825 ( -3.736 -0.463 0.388) 3.784 7.891 ( 2.853 3.805 -1.579) 5.011 7.959 ( -2.085 0.847 0.131) 2.254 8.373 ( 1.734 1.095 1.450) 2.512 8.395 ( -0.883 -0.114 3.485) 3.597 8.604 ( 1.161 -1.792 -1.815) 2.802 8.644 ( -2.533 -0.716 0.781) 2.746 8.939 ( -2.425 -0.107 5.742) 6.234 8.958 ( 0.700 -0.819 -2.625) 2.838 9.267 ( 1.521 -1.552 -2.564) 3.361 9.312 ( -3.975 -0.992 2.819) 4.973 9.527 ( -0.482 -2.090 1.314) 2.515 9.562 ( 0.979 -2.769 -4.933) 5.741 9.690 ( 2.638 4.913 2.696) 6.193 9.817 ( -1.276 2.859 -1.677) 3.551 10.102 ( 0.980 -3.609 10.356) 11.010 10.292 ( -2.804 -9.116 -0.423) 9.547 10.764 ( 3.976 0.395 -4.010) 5.661 10.843 ( -1.311 -2.540 -1.567) 3.260 11.432 ( -1.791 3.312 -1.333) 3.994 11.465 ( -0.725 2.421 -6.406) 6.887 11.968 ( 0.862 11.717 -0.265) 11.752 12.037 ( -3.304 16.589 -0.409) 16.919 12.647 ( 3.947 -11.744 -0.057) 12.390 12.818 ( -5.358 -12.558 0.593) 13.666 13.393 ( -1.076 3.007 1.985) 3.761 13.426 ( -1.102 1.797 -1.167) 2.409 13.880 ( -0.513 1.316 1.618) 2.148 13.895 ( 0.203 0.838 -0.928) 1.267 14.563 ( 1.304 -0.279 -0.281) 1.363 14.593 ( -0.943 -1.254 0.947) 1.833 14.774 ( 2.292 -0.063 1.349) 2.660 14.837 ( 0.568 -2.293 -1.659) 2.887 15.401 ( 2.487 -0.433 0.767) 2.638 15.422 ( 1.232 -1.142 1.606) 2.324 15.983 ( -0.870 1.731 3.620) 4.106 16.055 ( -0.045 3.550 -4.130) 5.446 16.205 ( 1.583 -4.702 -0.090) 4.962 16.275 ( -1.036 -3.279 -0.472) 3.471 16.487 ( -2.148 -5.961 5.727) 8.541 16.578 ( -0.119 -9.893 -6.837) 12.026 17.083 ( 1.336 11.122 7.477) 13.468 17.214 ( -0.282 0.927 0.940) 1.350 17.312 ( -3.517 3.204 8.443) 9.691 17.511 ( -5.206 -0.470 -7.350) 9.019 17.721 ( 0.078 2.471 0.946) 2.647 17.857 ( -4.579 11.868 -9.945) 16.147 18.037 ( 0.950 -8.786 7.444) 11.555 18.280 ( -4.355 -5.001 -6.476) 9.269 19.083 ( 1.198 -0.045 -0.470) 1.288 19.167 ( -1.451 -3.618 -4.496) 5.950 19.643 ( 1.971 2.998 2.166) 4.191 19.685 ( -1.174 2.778 3.403) 4.547 20.071 ( 0.644 0.863 1.918) 2.200 20.170 ( -1.513 -2.366 -3.505) 4.491 20.351 ( 0.719 1.408 0.260) 1.602 20.402 ( 0.281 -0.228 -2.591) 2.617 ======================= Grid point 173 (90/96) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 3.134 6.400 -3.654) 8.008 0.943 ( -3.134 6.400 3.654) 8.008 1.199 ( -2.111 -4.404 -0.599) 4.920 1.199 ( 2.111 -4.404 0.599) 4.920 1.295 ( -0.307 0.219 -3.290) 3.312 1.295 ( 0.307 0.219 3.290) 3.312 1.548 ( -3.398 1.241 -0.358) 3.636 1.548 ( 3.398 1.241 0.358) 3.636 1.718 ( 4.643 5.656 -4.755) 8.727 1.718 ( -4.643 5.656 4.755) 8.727 1.945 ( -1.511 -2.344 -6.296) 6.886 1.945 ( 1.511 -2.344 6.296) 6.886 2.057 ( -1.316 -0.773 -3.293) 3.629 2.057 ( 1.316 -0.773 3.293) 3.629 2.241 ( -3.901 -4.826 -6.697) 9.131 2.241 ( 3.901 -4.826 6.697) 9.131 2.377 ( -4.856 7.424 -3.329) 9.475 2.377 ( 4.856 7.424 3.329) 9.475 2.424 ( -1.109 3.180 -1.128) 3.552 2.424 ( 1.109 3.180 1.128) 3.552 2.611 ( -0.798 4.748 -1.626) 5.082 2.611 ( 0.798 4.748 1.626) 5.082 2.800 ( -1.110 -0.624 -0.835) 1.523 2.800 ( 1.110 -0.624 0.835) 1.523 2.868 ( 5.227 -0.325 -3.162) 6.117 2.868 ( -5.227 -0.325 3.162) 6.117 3.031 ( 2.672 -2.358 -5.321) 6.404 3.031 ( -2.672 -2.358 5.321) 6.404 3.258 ( -2.790 -3.608 -2.594) 5.247 3.258 ( 2.790 -3.608 2.594) 5.247 3.297 ( 0.053 -5.069 -3.208) 5.999 3.297 ( -0.053 -5.069 3.208) 5.999 3.535 ( -2.969 8.765 0.011) 9.254 3.535 ( 2.969 8.765 -0.011) 9.254 3.900 ( -4.764 -5.472 0.109) 7.256 3.900 ( 4.764 -5.472 -0.109) 7.256 4.280 ( -2.751 1.989 -3.813) 5.105 4.280 ( 2.752 1.989 3.813) 5.105 4.520 ( 1.449 -0.579 -4.804) 5.051 4.520 ( -1.449 -0.579 4.804) 5.051 4.752 ( 3.697 9.018 -8.244) 12.765 4.752 ( -3.697 9.018 8.244) 12.765 5.058 ( 0.537 2.509 -1.567) 3.007 5.058 ( -0.537 2.509 1.567) 3.007 5.420 ( -2.907 -3.864 -1.891) 5.192 5.420 ( 2.907 -3.864 1.891) 5.192 5.512 ( -1.466 -6.458 -2.674) 7.142 5.512 ( 1.466 -6.458 2.674) 7.142 5.698 ( -0.547 -2.781 -1.099) 3.040 5.698 ( 0.547 -2.781 1.099) 3.040 6.215 ( 3.186 1.388 -4.020) 5.314 6.215 ( -3.186 1.388 4.020) 5.314 6.298 ( 0.168 -1.961 -1.139) 2.274 6.298 ( -0.168 -1.961 1.139) 2.274 6.610 ( 1.735 -4.338 -6.529) 8.028 6.610 ( -1.735 -4.338 6.529) 8.028 6.909 ( -2.426 1.040 -1.427) 3.001 6.909 ( 2.426 1.040 1.427) 3.001 7.278 ( -3.960 3.053 -0.014) 5.000 7.278 ( 3.960 3.053 0.014) 5.000 7.562 ( -0.297 8.526 -0.968) 8.586 7.562 ( 0.297 8.526 0.968) 8.586 7.761 ( -2.203 -2.045 -0.979) 3.161 7.761 ( 2.203 -2.045 0.979) 3.161 7.927 ( -0.450 2.945 -0.319) 2.997 7.927 ( 0.450 2.945 0.319) 2.997 8.401 ( 1.250 0.838 -1.226) 1.941 8.401 ( -1.250 0.838 1.226) 1.941 8.617 ( 1.659 -1.824 -2.391) 3.435 8.617 ( -1.659 -1.824 2.391) 3.435 8.949 ( 3.670 -0.994 -6.790) 7.783 8.949 ( -3.670 -0.994 6.790) 7.783 9.279 ( 2.531 -1.285 -2.059) 3.506 9.279 ( -2.531 -1.285 2.059) 3.506 9.538 ( 0.720 -2.387 -2.977) 3.884 9.538 ( -0.720 -2.387 2.977) 3.884 9.762 ( -2.151 4.474 -2.786) 5.692 9.762 ( 2.151 4.474 2.786) 5.692 10.215 ( -2.538 -6.842 -6.213) 9.584 10.215 ( 2.538 -6.842 6.213) 9.584 10.798 ( 0.299 0.023 -1.983) 2.006 10.798 ( -0.299 0.023 1.983) 2.006 11.419 ( 0.922 3.011 -3.250) 4.526 11.419 ( -0.922 3.011 3.250) 4.526 11.991 ( -0.351 13.616 -1.256) 13.678 11.991 ( 0.351 13.616 1.256) 13.678 12.728 ( -3.862 -12.506 -1.110) 13.136 12.728 ( 3.862 -12.506 1.110) 13.136 13.402 ( 0.031 2.523 -1.788) 3.093 13.402 ( -0.031 2.523 1.788) 3.093 13.888 ( 0.332 0.995 -1.457) 1.795 13.888 ( -0.332 0.995 1.457) 1.795 14.582 ( 0.490 -0.641 -0.227) 0.838 14.582 ( -0.490 -0.641 0.227) 0.838 14.817 ( -0.901 -1.297 -1.862) 2.441 14.817 ( 0.901 -1.297 1.862) 2.441 15.434 ( 0.467 -0.919 -0.279) 1.068 15.434 ( -0.467 -0.919 0.279) 1.068 16.013 ( 0.827 2.948 -5.078) 5.930 16.013 ( -0.827 2.948 5.078) 5.930 16.239 ( 0.536 -3.868 -2.909) 4.869 16.239 ( -0.536 -3.868 2.909) 4.869 16.520 ( 2.248 -8.579 -8.158) 12.050 16.520 ( -2.248 -8.579 8.158) 12.050 17.186 ( -2.607 5.031 -2.688) 6.272 17.186 ( 2.607 5.031 2.688) 6.272 17.363 ( 0.663 4.492 -11.807) 12.651 17.363 ( -0.663 4.492 11.807) 12.651 17.751 ( -0.897 5.772 -3.974) 7.065 17.751 ( 0.897 5.772 3.974) 7.065 18.146 ( -3.001 -7.305 -8.038) 11.268 18.146 ( 3.001 -7.305 8.038) 11.268 19.114 ( -1.044 -1.833 -2.447) 3.231 19.114 ( 1.044 -1.833 2.447) 3.231 19.681 ( -0.979 3.077 0.032) 3.229 19.681 ( 0.979 3.077 -0.032) 3.229 20.111 ( -0.880 -0.233 -3.675) 3.786 20.111 ( 0.880 -0.233 3.675) 3.786 20.376 ( -0.244 -0.119 -2.346) 2.361 20.376 ( 0.244 -0.119 2.346) 2.361 ======================= Grid point 179 (91/96) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 -0.000 -0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.084 ( -0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.377 ( -0.000 -0.000 0.000) 0.000 1.377 ( -0.000 0.000 0.000) 0.000 1.606 ( -0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.760 ( -0.000 0.000 -0.000) 0.000 1.760 ( -0.000 0.000 0.000) 0.000 1.870 ( 0.000 -0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 -0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 -0.000) 0.000 2.517 ( 0.000 -0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 -0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.884 ( -0.000 -0.000 0.000) 0.000 2.884 ( -0.000 0.000 0.000) 0.000 2.974 ( 0.000 -0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.136 ( -0.000 -0.000 0.000) 0.000 3.136 ( 0.000 -0.000 0.000) 0.000 3.215 ( 0.000 0.000 -0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 -0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.644 ( -0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 3.950 ( -0.000 -0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.412 ( -0.000 0.000 -0.000) 0.000 4.412 ( -0.000 -0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.955 ( -0.000 0.000 0.000) 0.000 4.955 ( -0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 -0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.666 ( -0.000 -0.000 0.000) 0.000 5.666 ( -0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.385 ( -0.000 -0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 -0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.401 ( -0.000 0.000 0.000) 0.000 7.401 ( 0.000 -0.000 0.000) 0.000 7.502 ( -0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 -0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.758 ( -0.000 0.000 0.000) 0.000 8.758 ( -0.000 0.000 0.000) 0.000 9.102 ( 0.000 -0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.290 ( -0.000 -0.000 0.000) 0.000 9.290 ( -0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.046 ( -0.000 -0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 -0.000 0.000) 0.000 10.493 ( -0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 12.448 ( -0.000 -0.000 0.000) 0.000 12.448 ( -0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 -0.000 0.000) 0.000 14.590 ( -0.000 0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 14.674 ( 0.000 0.000 0.000) 0.000 14.674 ( 0.000 0.000 0.000) 0.000 15.300 ( -0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 0.000) 0.000 16.550 ( 0.000 0.000 0.000) 0.000 16.550 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.706 ( 0.000 -0.000 0.000) 0.000 17.706 ( 0.000 0.000 0.000) 0.000 17.892 ( -0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 18.341 ( 0.000 0.000 0.000) 0.000 18.341 ( 0.000 0.000 0.000) 0.000 19.288 ( -0.000 0.000 0.000) 0.000 19.288 ( 0.000 0.000 0.000) 0.000 19.572 ( -0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 20.209 ( -0.000 0.000 0.000) 0.000 20.209 ( 0.000 0.000 0.000) 0.000 20.329 ( 0.000 -0.000 0.000) 0.000 20.329 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 183 (92/96) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.620 -6.345 -5.591) 8.610 0.918 ( -1.620 6.345 -5.591) 8.610 1.176 ( 2.391 -4.180 1.291) 4.985 1.176 ( 2.391 4.180 1.291) 4.985 1.304 ( -2.107 -1.949 4.490) 5.328 1.304 ( -2.107 1.949 4.490) 5.328 1.392 ( 0.996 -1.631 0.954) 2.136 1.392 ( 0.996 1.631 0.954) 2.136 1.635 ( 5.835 -5.196 -0.411) 7.824 1.635 ( 5.835 5.196 -0.411) 7.824 1.767 ( -0.879 -5.197 -0.855) 5.339 1.767 ( -0.879 5.197 -0.855) 5.339 1.913 ( 3.341 -2.648 4.007) 5.851 1.913 ( 3.341 2.648 4.007) 5.851 2.031 ( -0.357 -3.807 3.069) 4.903 2.031 ( -0.357 3.807 3.069) 4.903 2.469 ( -3.827 -2.496 -1.340) 4.761 2.469 ( -3.827 2.496 -1.340) 4.761 2.554 ( -0.495 -1.726 -0.961) 2.037 2.554 ( -0.495 1.726 -0.961) 2.037 2.723 ( -0.572 -3.854 -3.033) 4.938 2.723 ( -0.572 3.854 -3.033) 4.938 2.883 ( -0.362 -0.968 -0.270) 1.069 2.883 ( -0.362 0.968 -0.270) 1.069 2.976 ( 1.009 -1.980 -0.865) 2.385 2.976 ( 1.009 1.980 -0.865) 2.385 3.102 ( -0.799 -5.306 -1.923) 5.700 3.102 ( -0.799 5.306 -1.923) 5.700 3.236 ( 0.332 -2.382 0.467) 2.450 3.236 ( 0.332 2.382 0.467) 2.450 3.383 ( 0.114 -2.330 1.162) 2.606 3.383 ( 0.114 2.330 1.162) 2.606 3.667 ( 0.404 -3.132 2.737) 4.179 3.667 ( 0.404 3.132 2.737) 4.179 3.950 ( 0.759 -3.577 -1.084) 3.813 3.950 ( 0.759 3.577 -1.084) 3.813 4.178 ( -0.498 -3.493 -4.936) 6.067 4.178 ( -0.498 3.493 -4.936) 6.067 4.452 ( 1.137 -1.666 4.723) 5.135 4.452 ( 1.137 1.666 4.723) 5.135 4.846 ( 0.582 -1.979 -2.887) 3.548 4.846 ( 0.582 1.979 -2.887) 3.548 4.989 ( 1.517 -0.195 2.388) 2.836 4.989 ( 1.517 0.195 2.388) 2.836 5.101 ( 0.833 -2.893 -3.522) 4.633 5.101 ( 0.833 2.893 -3.522) 4.633 5.342 ( 1.809 -5.343 3.383) 6.578 5.342 ( 1.809 5.343 3.383) 6.578 5.668 ( -1.111 -2.216 2.490) 3.513 5.668 ( -1.111 2.216 2.490) 3.513 6.148 ( 0.646 -0.616 0.740) 1.159 6.148 ( 0.646 0.616 0.740) 1.159 6.378 ( -2.056 -1.650 2.206) 3.438 6.378 ( -2.056 1.650 2.206) 3.438 6.648 ( 0.279 -4.211 -1.629) 4.524 6.648 ( 0.279 4.211 -1.629) 4.524 7.073 ( -5.400 -5.600 1.362) 7.897 7.073 ( -5.400 5.600 1.362) 7.897 7.357 ( -2.275 -4.128 -2.019) 5.128 7.357 ( -2.275 4.128 -2.019) 5.128 7.579 ( 6.054 -3.444 0.779) 7.009 7.579 ( 6.054 3.444 0.779) 7.009 7.755 ( 0.964 -1.671 -0.208) 1.940 7.755 ( 0.964 1.671 -0.208) 1.940 7.967 ( 0.177 -0.771 0.815) 1.136 7.967 ( 0.177 0.771 0.815) 1.136 8.334 ( -1.804 -0.759 1.164) 2.277 8.334 ( -1.804 0.759 1.164) 2.277 8.743 ( -1.783 -1.849 -0.022) 2.569 8.743 ( -1.783 1.849 -0.022) 2.569 9.064 ( -4.006 -3.725 0.740) 5.520 9.064 ( -4.006 3.725 0.740) 5.520 9.311 ( 0.638 -4.539 1.660) 4.875 9.311 ( 0.638 4.539 1.660) 4.875 9.554 ( 0.725 -2.328 -1.545) 2.887 9.554 ( 0.725 2.328 -1.545) 2.887 9.760 ( -3.576 -5.061 0.341) 6.207 9.760 ( -3.576 5.061 0.341) 6.207 10.061 ( 0.249 -9.023 1.918) 9.228 10.061 ( 0.249 9.023 1.918) 9.228 10.555 ( 6.792 -0.814 -0.437) 6.855 10.555 ( 6.792 0.814 -0.437) 6.855 11.662 ( -0.890 -1.041 -1.933) 2.370 11.662 ( -0.890 1.041 -1.933) 2.370 12.383 ( -2.007 -14.204 -5.157) 15.244 12.383 ( -2.007 14.204 -5.157) 15.244 12.587 ( -1.029 -13.884 7.356) 15.746 12.587 ( -1.029 13.884 7.356) 15.746 13.485 ( -1.570 -0.749 1.032) 2.023 13.485 ( -1.570 0.749 1.032) 2.023 13.884 ( 0.398 -0.845 0.543) 1.080 13.884 ( 0.398 0.845 0.543) 1.080 14.577 ( -1.214 -0.530 -0.017) 1.324 14.577 ( -1.214 0.530 -0.017) 1.324 14.694 ( 2.262 -2.255 -0.444) 3.225 14.694 ( 2.262 2.255 -0.444) 3.225 15.300 ( 0.239 -0.500 -0.189) 0.586 15.300 ( 0.239 0.500 -0.189) 0.586 15.972 ( 0.320 -1.604 0.704) 1.780 15.972 ( 0.320 1.604 0.704) 1.780 16.212 ( -0.210 -1.246 1.365) 1.860 16.212 ( -0.210 1.246 1.365) 1.860 16.545 ( 0.185 -2.912 -1.471) 3.268 16.545 ( 0.185 2.912 -1.471) 3.268 17.193 ( -0.387 -0.698 -0.123) 0.808 17.193 ( -0.387 0.698 -0.123) 0.808 17.671 ( -5.633 -6.900 1.977) 9.123 17.671 ( -5.633 6.900 1.977) 9.123 17.832 ( -5.823 -4.967 1.778) 7.858 17.832 ( -5.823 4.967 1.778) 7.858 18.387 ( 2.476 -1.669 1.588) 3.382 18.387 ( 2.476 1.669 1.588) 3.382 19.314 ( 1.783 -0.545 -0.104) 1.868 19.314 ( 1.783 0.545 -0.105) 1.868 19.548 ( -0.972 -1.351 -1.685) 2.368 19.548 ( -0.972 1.351 -1.685) 2.368 20.165 ( -2.834 -3.967 -0.967) 4.970 20.165 ( -2.834 3.967 -0.967) 4.970 20.367 ( 3.172 -1.533 -0.442) 3.551 20.367 ( 3.172 1.533 -0.442) 3.551 ======================= Grid point 185 (93/96) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 2.035 -6.847 -1.040) 7.219 0.892 ( 2.035 6.847 -1.040) 7.219 1.173 ( -2.288 -3.258 0.991) 4.103 1.173 ( -2.288 3.258 0.991) 4.103 1.321 ( -1.033 -2.394 3.494) 4.360 1.321 ( -1.033 2.394 3.494) 4.360 1.428 ( 2.558 -2.442 0.403) 3.560 1.428 ( 2.558 2.442 0.403) 3.560 1.701 ( 0.090 -7.029 -2.337) 7.408 1.701 ( 0.090 7.029 -2.337) 7.408 1.822 ( 9.089 -9.632 2.968) 13.572 1.822 ( 9.089 9.632 2.968) 13.572 1.990 ( 2.627 -2.102 -1.248) 3.588 1.990 ( 2.627 2.102 -1.248) 3.588 2.075 ( -1.243 -5.524 9.422) 10.993 2.075 ( -1.243 5.524 9.422) 10.993 2.391 ( -3.262 -6.218 -1.457) 7.172 2.391 ( -3.262 6.218 -1.457) 7.172 2.515 ( -2.685 -1.556 -0.990) 3.257 2.515 ( -2.685 1.556 -0.990) 3.257 2.692 ( 1.588 -5.217 -4.409) 7.013 2.692 ( 1.588 5.217 -4.409) 7.013 2.866 ( -1.095 -0.360 -0.595) 1.297 2.866 ( -1.095 0.360 -0.595) 1.297 2.981 ( 0.259 -2.233 -0.814) 2.391 2.981 ( 0.259 2.233 -0.814) 2.391 3.086 ( -0.678 -3.744 -0.144) 3.808 3.086 ( -0.678 3.744 -0.144) 3.808 3.223 ( -1.263 -1.511 -0.848) 2.144 3.223 ( -1.263 1.511 -0.848) 2.144 3.395 ( 0.608 -2.418 -0.076) 2.494 3.395 ( 0.608 2.418 -0.076) 2.494 3.671 ( -1.683 -3.723 -0.239) 4.093 3.671 ( -1.683 3.723 -0.239) 4.093 3.954 ( 0.608 -5.834 -1.510) 6.057 3.954 ( 0.608 5.834 -1.510) 6.057 4.134 ( 1.307 -3.444 -4.077) 5.495 4.134 ( 1.307 3.444 -4.077) 5.495 4.509 ( 0.489 -0.830 3.374) 3.509 4.509 ( 0.489 0.830 3.374) 3.509 4.851 ( 2.729 -2.359 -1.567) 3.933 4.851 ( 2.729 2.359 -1.567) 3.933 5.020 ( 1.743 -4.170 -1.406) 4.733 5.020 ( 1.743 4.170 -1.406) 4.733 5.115 ( 1.805 -6.411 1.802) 6.900 5.115 ( 1.805 6.411 1.802) 6.900 5.406 ( 1.907 -6.001 2.681) 6.844 5.406 ( 1.907 6.001 2.681) 6.844 5.676 ( -1.640 -3.176 3.824) 5.235 5.676 ( -1.640 3.176 3.824) 5.235 6.171 ( 0.955 -0.882 1.080) 1.690 6.171 ( 0.955 0.882 1.080) 1.690 6.360 ( -3.237 -2.408 3.460) 5.315 6.360 ( -3.237 2.408 3.460) 5.315 6.625 ( -0.629 -6.019 -2.533) 6.561 6.625 ( -0.629 6.019 -2.533) 6.561 6.999 ( -5.013 -6.067 2.301) 8.199 6.999 ( -5.013 6.067 2.301) 8.199 7.306 ( -1.145 -5.447 -2.252) 6.004 7.306 ( -1.145 5.447 -2.252) 6.004 7.669 ( 3.674 -4.852 -0.791) 6.137 7.669 ( 3.674 4.852 -0.791) 6.137 7.771 ( 0.746 -2.748 0.989) 3.014 7.771 ( 0.746 2.748 0.989) 3.014 7.978 ( -0.042 -0.895 0.799) 1.201 7.978 ( -0.042 0.895 0.799) 1.201 8.322 ( -1.221 -1.398 2.362) 3.004 8.322 ( -1.221 1.398 2.362) 3.004 8.701 ( -2.891 -2.933 -0.469) 4.145 8.701 ( -2.891 2.933 -0.469) 4.145 9.006 ( -4.136 -3.423 1.993) 5.727 9.006 ( -4.136 3.423 1.993) 5.727 9.320 ( -2.097 -4.545 2.435) 5.566 9.320 ( -2.097 4.545 2.435) 5.566 9.548 ( 1.670 -3.577 -4.172) 5.744 9.548 ( 1.670 3.577 -4.172) 5.744 9.725 ( -1.453 -5.952 2.366) 6.568 9.725 ( -1.453 5.952 2.366) 6.568 10.083 ( -0.251 -9.849 2.446) 10.151 10.083 ( -0.251 9.849 2.446) 10.151 10.673 ( 7.173 -2.002 -1.069) 7.524 10.673 ( 7.173 2.002 -1.069) 7.524 11.614 ( -1.552 -1.570 -3.661) 4.275 11.614 ( -1.552 1.570 -3.661) 4.275 12.314 ( -1.085 -15.251 -3.259) 15.633 12.314 ( -1.085 15.251 -3.259) 15.633 12.606 ( -4.326 -16.099 5.510) 17.557 12.606 ( -4.326 16.099 5.510) 17.557 13.467 ( -1.938 -1.388 1.617) 2.880 13.467 ( -1.938 1.388 1.617) 2.880 13.897 ( 0.164 -0.811 0.840) 1.179 13.897 ( 0.164 0.811 0.840) 1.179 14.560 ( -0.884 -1.051 0.448) 1.445 14.560 ( -0.884 1.051 0.448) 1.445 14.731 ( 2.740 -3.002 -1.024) 4.192 14.731 ( 2.740 3.002 -1.024) 4.192 15.313 ( 1.462 -0.668 0.258) 1.628 15.313 ( 1.462 0.668 0.258) 1.628 15.990 ( 0.590 -2.954 1.409) 3.326 15.990 ( 0.590 2.954 1.409) 3.326 16.220 ( -0.710 -2.454 1.650) 3.041 16.220 ( -0.710 2.454 1.650) 3.041 16.525 ( -0.048 -4.418 -2.913) 5.292 16.525 ( -0.048 4.418 -2.913) 5.292 17.186 ( -0.310 -1.504 -0.042) 1.536 17.186 ( -0.310 1.504 -0.042) 1.536 17.571 ( -9.931 -12.309 6.310) 17.028 17.571 ( -9.931 12.309 6.310) 17.028 17.780 ( -2.224 -3.793 1.372) 4.606 17.780 ( -2.224 3.793 1.372) 4.606 18.401 ( -2.189 -3.015 -0.481) 3.757 18.401 ( -2.189 3.015 -0.481) 3.757 19.275 ( -2.918 -3.041 -6.299) 7.579 19.275 ( -2.918 3.041 -6.299) 7.579 19.563 ( 2.425 -2.387 2.835) 4.429 19.563 ( 2.425 2.387 2.835) 4.429 20.127 ( -0.742 -4.422 -0.701) 4.539 20.127 ( -0.742 4.422 -0.701) 4.539 20.401 ( 1.888 -0.110 -1.509) 2.419 20.401 ( 1.888 0.110 -1.509) 2.419 ======================= Grid point 187 (94/96) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 3.229 -4.408 1.525) 5.673 0.944 ( 3.229 4.408 1.525) 5.673 1.146 ( -2.797 -4.213 2.462) 5.625 1.146 ( -2.797 4.213 2.462) 5.625 1.334 ( -0.994 -2.251 2.617) 3.592 1.334 ( -0.994 2.251 2.617) 3.592 1.473 ( 2.792 -2.842 -0.723) 4.049 1.473 ( 2.792 2.842 -0.723) 4.049 1.710 ( 3.324 -5.939 -0.229) 6.809 1.710 ( 3.324 5.939 -0.229) 6.809 1.934 ( -0.353 -4.944 -0.373) 4.970 1.934 ( -0.353 4.944 -0.373) 4.970 2.018 ( 3.926 -1.585 -1.316) 4.433 2.018 ( 3.926 1.585 -1.316) 4.433 2.175 ( 3.746 -3.232 8.212) 9.587 2.175 ( 3.746 3.232 8.212) 9.587 2.331 ( -3.033 -7.376 -0.820) 8.017 2.331 ( -3.033 7.376 -0.820) 8.017 2.470 ( -2.045 -1.108 0.995) 2.530 2.470 ( -2.045 1.108 0.995) 2.530 2.694 ( 2.735 -4.249 -3.163) 5.962 2.694 ( 2.735 4.249 -3.163) 5.962 2.834 ( -2.169 -0.866 -0.244) 2.348 2.834 ( -2.169 0.866 -0.244) 2.348 2.964 ( -1.443 -3.667 -1.399) 4.182 2.964 ( -1.443 3.667 -1.399) 4.182 3.057 ( -1.044 -2.904 -2.449) 3.939 3.057 ( -1.044 2.904 -2.449) 3.939 3.196 ( -2.285 -2.413 1.829) 3.794 3.196 ( -2.285 2.413 1.829) 3.794 3.376 ( -2.160 -4.619 -2.600) 5.724 3.376 ( -2.160 4.619 -2.600) 5.724 3.640 ( 2.007 -3.867 -4.138) 6.009 3.640 ( 2.007 3.867 -4.138) 6.009 3.918 ( -2.904 -3.821 -1.861) 5.147 3.918 ( -2.904 3.821 -1.861) 5.147 4.161 ( 4.108 -5.388 -0.474) 6.792 4.161 ( 4.108 5.388 -0.474) 6.792 4.530 ( 0.049 -2.558 0.547) 2.616 4.530 ( 0.049 2.558 0.547) 2.616 4.889 ( 2.859 -1.237 -1.612) 3.507 4.889 ( 2.859 1.237 -1.612) 3.507 5.052 ( 2.512 -3.113 1.300) 4.206 5.052 ( 2.512 3.113 1.300) 4.206 5.171 ( 1.825 -4.430 2.776) 5.537 5.171 ( 1.825 4.430 2.776) 5.537 5.445 ( 0.434 -3.648 1.287) 3.893 5.445 ( 0.434 3.648 1.287) 3.893 5.685 ( -1.477 -2.723 3.407) 4.604 5.685 ( -1.477 2.723 3.407) 4.604 6.196 ( 0.948 -1.062 0.744) 1.606 6.196 ( 0.948 1.062 0.744) 1.606 6.334 ( -3.772 -2.972 3.223) 5.783 6.334 ( -3.772 2.972 3.223) 5.783 6.584 ( -1.303 -4.622 -1.982) 5.195 6.584 ( -1.303 4.622 -1.982) 5.195 6.956 ( -2.857 -4.250 2.238) 5.589 6.956 ( -2.857 4.250 2.238) 5.589 7.284 ( 0.867 -5.569 -1.478) 5.827 7.284 ( 0.867 5.569 -1.478) 5.827 7.681 ( 0.458 -3.221 -2.391) 4.038 7.681 ( 0.458 3.221 -2.391) 4.038 7.793 ( -1.208 -2.300 2.675) 3.729 7.793 ( -1.208 2.300 2.675) 3.729 7.975 ( -0.327 -1.377 -0.261) 1.439 7.975 ( -0.327 1.377 -0.261) 1.439 8.346 ( 0.831 -1.184 3.045) 3.371 8.346 ( 0.831 1.184 3.045) 3.371 8.645 ( -2.721 -3.041 -0.930) 4.185 8.645 ( -2.721 3.041 -0.930) 4.185 8.967 ( -3.083 -1.861 2.318) 4.283 8.967 ( -3.083 1.861 2.318) 4.283 9.296 ( -2.954 -3.573 2.145) 5.109 9.296 ( -2.954 3.573 2.145) 5.109 9.530 ( 1.318 -2.335 -4.597) 5.322 9.530 ( 1.318 2.335 -4.597) 5.322 9.755 ( 1.425 -6.134 3.003) 6.976 9.755 ( 1.425 6.134 3.003) 6.976 10.099 ( -0.749 -8.611 2.713) 9.059 10.099 ( -0.749 8.611 2.713) 9.059 10.757 ( 4.573 -2.764 -1.950) 5.688 10.757 ( 4.573 2.764 -1.950) 5.688 11.545 ( -1.785 -1.391 -4.548) 5.080 11.545 ( -1.785 1.391 -4.548) 5.080 12.288 ( 0.644 -15.798 -1.503) 15.883 12.288 ( 0.644 15.798 -1.503) 15.883 12.553 ( -6.118 -18.004 2.470) 19.175 12.553 ( -6.118 18.004 2.470) 19.175 13.452 ( -1.704 -1.490 1.479) 2.704 13.452 ( -1.704 1.490 1.479) 2.704 13.903 ( -0.188 -0.602 0.592) 0.865 13.903 ( -0.188 0.602 0.592) 0.865 14.558 ( -0.154 -1.215 0.914) 1.528 14.558 ( -0.154 1.215 0.914) 1.528 14.764 ( 2.435 -2.742 -1.182) 3.853 14.764 ( 2.435 2.742 -1.182) 3.853 15.353 ( 2.384 -0.714 1.021) 2.690 15.353 ( 2.384 0.714 1.021) 2.690 16.018 ( 0.898 -4.162 1.805) 4.624 16.018 ( 0.898 4.162 1.805) 4.624 16.213 ( -1.649 -3.874 0.591) 4.252 16.213 ( -1.649 3.874 0.591) 4.252 16.489 ( -0.500 -3.771 -3.423) 5.117 16.489 ( -0.500 3.771 -3.423) 5.117 17.188 ( 0.554 -2.198 0.314) 2.288 17.188 ( 0.554 2.198 0.314) 2.288 17.485 ( -8.327 -10.845 7.938) 15.810 17.485 ( -8.327 10.845 7.938) 15.810 17.779 ( -0.306 -5.202 2.826) 5.928 17.779 ( -0.306 5.202 2.826) 5.928 18.299 ( -5.890 -6.668 -6.064) 10.767 18.299 ( -5.890 6.668 -6.064) 10.767 19.161 ( -1.914 -3.736 -6.419) 7.669 19.161 ( -1.914 3.736 -6.419) 7.669 19.642 ( 1.923 -2.443 4.435) 5.416 19.642 ( 1.923 2.443 4.435) 5.416 20.117 ( 0.123 -4.050 -0.812) 4.133 20.117 ( 0.123 4.050 -0.812) 4.133 20.402 ( 0.486 -1.249 -2.128) 2.515 20.402 ( 0.486 1.249 -2.128) 2.515 ======================= Grid point 189 (95/96) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 4.063 -3.673 0.246) 5.483 1.015 ( 4.063 3.673 0.246) 5.483 1.125 ( -3.157 -4.895 3.216) 6.653 1.125 ( -3.157 4.895 3.216) 6.653 1.324 ( -2.283 -1.092 0.855) 2.671 1.324 ( -2.283 1.092 0.855) 2.671 1.522 ( 3.534 -2.026 -0.058) 4.074 1.522 ( 3.534 2.026 -0.058) 4.074 1.785 ( 4.629 -4.464 -0.915) 6.495 1.785 ( 4.629 4.464 -0.915) 6.495 1.904 ( -3.125 -2.154 3.686) 5.291 1.904 ( -3.125 2.154 3.686) 5.291 2.047 ( 2.369 -1.332 -2.271) 3.541 2.047 ( 2.369 1.332 -2.271) 3.541 2.222 ( -2.691 -5.395 -4.545) 7.550 2.222 ( -2.691 5.395 -4.545) 7.550 2.369 ( 5.551 -6.476 5.810) 10.321 2.369 ( 5.551 6.476 5.810) 10.321 2.467 ( -1.118 -0.565 3.517) 3.734 2.467 ( -1.118 0.565 3.517) 3.734 2.698 ( -0.089 -0.820 -2.276) 2.421 2.698 ( -0.089 0.820 -2.276) 2.421 2.799 ( -1.496 -0.530 -0.131) 1.592 2.799 ( -1.496 0.530 -0.131) 1.592 2.907 ( -3.293 -4.550 -0.211) 5.620 2.907 ( -3.293 4.550 -0.211) 5.620 3.021 ( 0.675 -0.609 -4.325) 4.419 3.021 ( 0.675 0.609 -4.325) 4.419 3.186 ( -2.486 -2.529 4.654) 5.851 3.186 ( -2.486 2.529 4.654) 5.851 3.289 ( -2.460 -3.414 -5.565) 6.977 3.289 ( -2.460 3.414 -5.565) 6.977 3.671 ( 5.495 -6.761 -3.634) 9.440 3.671 ( 5.495 6.761 -3.634) 9.440 3.837 ( -5.001 -5.771 -0.424) 7.648 3.837 ( -5.001 5.771 -0.424) 7.648 4.237 ( 4.056 -4.841 0.824) 6.369 4.237 ( 4.056 4.841 0.824) 6.369 4.526 ( -0.555 -2.466 -0.370) 2.554 4.526 ( -0.555 2.466 -0.370) 2.554 4.909 ( 1.413 -0.681 -1.443) 2.131 4.909 ( 1.413 0.681 -1.443) 2.131 5.114 ( 2.263 -3.588 2.214) 4.785 5.114 ( 2.263 3.588 2.214) 4.785 5.218 ( 0.977 -4.075 1.581) 4.479 5.218 ( 0.977 4.075 1.581) 4.479 5.454 ( -0.100 -1.869 0.736) 2.011 5.454 ( -0.100 1.869 0.736) 2.011 5.686 ( -1.321 -1.621 1.535) 2.595 5.686 ( -1.321 1.621 1.535) 2.595 6.217 ( 1.029 -1.200 0.090) 1.583 6.217 ( 1.029 1.200 0.090) 1.583 6.298 ( -3.297 -2.268 1.794) 4.386 6.298 ( -3.297 2.268 1.794) 4.386 6.553 ( -0.765 -1.908 -0.690) 2.168 6.553 ( -0.765 1.908 -0.690) 2.168 6.940 ( -1.235 -2.093 1.304) 2.758 6.940 ( -1.235 2.093 1.304) 2.758 7.305 ( 2.196 -4.117 -0.179) 4.669 7.305 ( 2.196 4.117 -0.179) 4.669 7.664 ( 0.717 -1.841 -2.289) 3.024 7.664 ( 0.717 1.841 -2.289) 3.024 7.760 ( -4.783 -3.602 1.845) 6.265 7.760 ( -4.783 3.602 1.845) 6.265 7.978 ( 0.899 -1.579 -0.248) 1.834 7.978 ( 0.899 1.579 -0.248) 1.834 8.392 ( 1.142 -0.494 2.268) 2.587 8.392 ( 1.142 0.494 2.268) 2.587 8.601 ( -1.465 -1.948 -0.749) 2.550 8.601 ( -1.465 1.948 -0.749) 2.550 8.944 ( -1.819 -0.571 1.324) 2.321 8.944 ( -1.819 0.571 1.324) 2.321 9.272 ( -1.751 -1.972 1.261) 2.923 9.272 ( -1.751 1.972 1.261) 2.923 9.511 ( 0.735 -1.107 -2.755) 3.059 9.511 ( 0.735 1.107 -2.755) 3.059 9.811 ( 1.908 -4.588 1.867) 5.308 9.811 ( 1.908 4.588 1.867) 5.308 10.108 ( -0.952 -5.808 2.137) 6.261 10.108 ( -0.952 5.808 2.137) 6.261 10.791 ( 1.967 -2.005 -1.843) 3.359 10.791 ( 1.967 2.005 -1.843) 3.359 11.478 ( -1.229 -0.809 -3.342) 3.651 11.478 ( -1.229 0.809 -3.342) 3.651 12.306 ( 2.541 -16.266 -0.371) 16.468 12.306 ( 2.541 16.266 -0.371) 16.468 12.465 ( -5.720 -18.186 0.537) 19.072 12.465 ( -5.720 18.186 0.537) 19.072 13.439 ( -1.075 -0.884 0.816) 1.614 13.439 ( -1.075 0.884 0.816) 1.614 13.903 ( -0.209 -0.427 0.179) 0.508 13.903 ( -0.209 0.427 0.179) 0.508 14.568 ( 0.144 -0.814 0.733) 1.105 14.568 ( 0.144 0.814 0.733) 1.105 14.788 ( 1.545 -1.635 -0.687) 2.352 14.788 ( 1.545 1.635 -0.687) 2.352 15.400 ( 1.732 -0.545 0.988) 2.067 15.400 ( 1.732 0.545 0.988) 2.067 16.055 ( 1.478 -4.784 1.767) 5.310 16.055 ( 1.478 4.784 1.767) 5.310 16.176 ( -2.445 -4.890 -0.921) 5.544 16.176 ( -2.445 4.890 -0.921) 5.544 16.453 ( -0.442 -1.813 -2.084) 2.797 16.453 ( -0.442 1.813 -2.084) 2.797 17.211 ( 1.544 -1.666 0.393) 2.305 17.211 ( 1.544 1.666 0.393) 2.305 17.440 ( -5.023 -6.180 5.609) 9.741 17.440 ( -5.023 6.180 5.609) 9.741 17.826 ( 1.014 -7.698 5.911) 9.758 17.826 ( 1.014 7.698 5.911) 9.758 18.118 ( -5.486 -9.860 -10.015) 15.087 18.118 ( -5.486 9.860 -10.015) 15.087 19.103 ( -0.053 -1.963 -2.799) 3.419 19.103 ( -0.053 1.963 -2.799) 3.419 19.700 ( 0.662 -1.462 3.053) 3.449 19.700 ( 0.662 1.462 3.053) 3.449 20.111 ( 0.106 -2.653 -0.786) 2.770 20.111 ( 0.106 2.653 -0.786) 2.770 20.385 ( -0.176 -1.348 -1.658) 2.144 20.385 ( -0.176 1.348 -1.658) 2.144 ======================= Grid point 191 (96/96) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 -0.000 -0.000) 0.000 1.068 ( -0.000 0.000 0.000) 0.000 1.101 ( 0.000 -0.000 -0.000) 0.000 1.101 ( 0.000 0.000 -0.000) 0.000 1.301 ( 0.000 0.000 -0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 -0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 -0.000) 0.000 1.816 ( 0.000 -0.000 0.000) 0.000 1.902 ( 0.000 -0.000 -0.000) 0.000 1.902 ( 0.000 0.000 -0.000) 0.000 2.094 ( 0.000 -0.000 -0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.127 ( -0.000 -0.000 -0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 -0.000 -0.000) 0.000 2.464 ( 0.000 0.000 -0.000) 0.000 2.484 ( 0.000 -0.000 0.000) 0.000 2.484 ( -0.000 0.000 0.000) 0.000 2.665 ( 0.000 -0.000 0.000) 0.000 2.665 ( 0.000 -0.000 0.000) 0.000 2.784 ( 0.000 -0.000 -0.000) 0.000 2.784 ( 0.000 0.000 -0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 -0.000 -0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.203 ( -0.000 -0.000 0.000) 0.000 3.221 ( 0.000 0.000 -0.000) 0.000 3.221 ( 0.000 0.000 -0.000) 0.000 3.725 ( 0.000 -0.000 -0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.768 ( -0.000 -0.000 0.000) 0.000 3.768 ( 0.000 0.000 -0.000) 0.000 4.282 ( 0.000 -0.000 -0.000) 0.000 4.282 ( 0.000 0.000 -0.000) 0.000 4.516 ( 0.000 0.000 -0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.913 ( 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 5.231 ( 0.000 -0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 -0.000) 0.000 5.679 ( 0.000 0.000 -0.000) 0.000 6.229 ( 0.000 0.000 -0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 -0.000 -0.000) 0.000 6.273 ( 0.000 -0.000 0.000) 0.000 6.544 ( 0.000 0.000 -0.000) 0.000 6.544 ( 0.000 0.000 -0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 -0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 -0.000) 0.000 7.665 ( 0.000 0.000 -0.000) 0.000 7.714 ( 0.000 -0.000 -0.000) 0.000 7.714 ( -0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 -0.000) 0.000 7.987 ( 0.000 0.000 -0.000) 0.000 8.414 ( 0.000 -0.000 -0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 -0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 -0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 -0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 -0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 -0.000 -0.000) 0.000 10.110 ( 0.000 0.000 -0.000) 0.000 10.797 ( 0.000 0.000 -0.000) 0.000 10.797 ( 0.000 0.000 -0.000) 0.000 11.451 ( 0.000 0.000 -0.000) 0.000 11.451 ( 0.000 0.000 0.000) 0.000 12.346 ( -0.000 -0.000 0.000) 0.000 12.346 ( 0.000 -0.000 -0.000) 0.000 12.398 ( 0.000 0.000 -0.000) 0.000 12.398 ( 0.000 0.000 -0.000) 0.000 13.433 ( 0.000 0.000 -0.000) 0.000 13.433 ( 0.000 0.000 -0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 -0.000 -0.000) 0.000 14.573 ( 0.000 0.000 -0.000) 0.000 14.799 ( 0.000 0.000 -0.000) 0.000 14.799 ( 0.000 0.000 0.000) 0.000 15.420 ( 0.000 0.000 0.000) 0.000 15.420 ( 0.000 0.000 0.000) 0.000 16.089 ( 0.000 -0.000 -0.000) 0.000 16.089 ( 0.000 0.000 -0.000) 0.000 16.135 ( 0.000 -0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 -0.000) 0.000 16.439 ( 0.000 0.000 -0.000) 0.000 17.230 ( 0.000 0.000 -0.000) 0.000 17.230 ( 0.000 0.000 -0.000) 0.000 17.424 ( 0.000 0.000 0.000) 0.000 17.424 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 -0.000 -0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 17.978 ( 0.000 -0.000 0.000) 0.000 17.978 ( 0.000 0.000 -0.000) 0.000 19.091 ( 0.000 0.000 0.000) 0.000 19.091 ( 0.000 0.000 0.000) 0.000 19.721 ( 0.000 0.000 -0.000) 0.000 19.721 ( 0.000 0.000 -0.000) 0.000 20.108 ( 0.000 0.000 0.000) 0.000 20.108 ( 0.000 0.000 0.000) 0.000 20.374 ( 0.000 -0.000 -0.000) 0.000 20.374 ( 0.000 0.000 0.000) 0.000 =================== 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 3/28800 10.0 10.970 10.766 21.827 0.000 -4.272 0.000 3/28800 20.0 3.305 3.356 5.718 0.000 -1.184 0.000 3/28800 30.0 1.883 1.896 3.039 0.000 -0.617 0.000 3/28800 40.0 1.335 1.358 2.090 0.000 -0.420 0.000 3/28800 50.0 1.047 1.091 1.615 0.000 -0.326 0.000 3/28800 60.0 0.870 0.931 1.331 0.000 -0.271 0.000 3/28800 70.0 0.749 0.824 1.140 0.000 -0.235 0.000 3/28800 80.0 0.662 0.747 1.004 0.000 -0.210 0.000 3/28800 90.0 0.596 0.689 0.901 0.000 -0.191 0.000 3/28800 100.0 0.544 0.643 0.820 0.000 -0.176 0.000 3/28800 110.0 0.502 0.607 0.755 0.000 -0.163 0.000 3/28800 120.0 0.467 0.576 0.701 0.000 -0.152 0.000 3/28800 130.0 0.438 0.550 0.655 0.000 -0.143 0.000 3/28800 140.0 0.413 0.527 0.616 0.000 -0.135 0.000 3/28800 150.0 0.391 0.506 0.583 0.000 -0.128 0.000 3/28800 160.0 0.372 0.488 0.553 0.000 -0.121 0.000 3/28800 170.0 0.355 0.471 0.526 0.000 -0.115 0.000 3/28800 180.0 0.340 0.455 0.502 0.000 -0.110 0.000 3/28800 190.0 0.326 0.440 0.481 0.000 -0.105 0.000 3/28800 200.0 0.313 0.427 0.461 0.000 -0.100 0.000 3/28800 210.0 0.301 0.414 0.444 0.000 -0.096 0.000 3/28800 220.0 0.291 0.402 0.427 0.000 -0.092 0.000 3/28800 230.0 0.281 0.390 0.412 0.000 -0.088 0.000 3/28800 240.0 0.272 0.379 0.398 0.000 -0.085 0.000 3/28800 250.0 0.263 0.369 0.384 0.000 -0.082 0.000 3/28800 260.0 0.255 0.359 0.372 0.000 -0.079 0.000 3/28800 270.0 0.247 0.349 0.361 0.000 -0.076 0.000 3/28800 280.0 0.240 0.340 0.350 0.000 -0.074 0.000 3/28800 290.0 0.234 0.331 0.340 0.000 -0.071 0.000 3/28800 300.0 0.227 0.323 0.330 0.000 -0.069 0.000 3/28800 310.0 0.221 0.315 0.321 0.000 -0.067 0.000 3/28800 320.0 0.215 0.308 0.312 0.000 -0.065 0.000 3/28800 330.0 0.210 0.300 0.304 0.000 -0.063 0.000 3/28800 340.0 0.205 0.293 0.296 0.000 -0.061 0.000 3/28800 350.0 0.200 0.287 0.289 0.000 -0.059 0.000 3/28800 360.0 0.195 0.280 0.282 0.000 -0.058 0.000 3/28800 370.0 0.191 0.274 0.275 0.000 -0.056 0.000 3/28800 380.0 0.186 0.268 0.269 0.000 -0.055 0.000 3/28800 390.0 0.182 0.262 0.262 0.000 -0.053 0.000 3/28800 400.0 0.178 0.257 0.257 0.000 -0.052 0.000 3/28800 410.0 0.174 0.252 0.251 0.000 -0.051 0.000 3/28800 420.0 0.171 0.247 0.246 0.000 -0.049 0.000 3/28800 430.0 0.167 0.242 0.240 0.000 -0.048 0.000 3/28800 440.0 0.164 0.237 0.236 0.000 -0.047 0.000 3/28800 450.0 0.161 0.233 0.231 0.000 -0.046 0.000 3/28800 460.0 0.158 0.228 0.226 0.000 -0.045 0.000 3/28800 470.0 0.155 0.224 0.222 0.000 -0.044 0.000 3/28800 480.0 0.152 0.220 0.218 0.000 -0.043 0.000 3/28800 490.0 0.149 0.216 0.213 0.000 -0.042 0.000 3/28800 500.0 0.146 0.212 0.210 0.000 -0.042 0.000 3/28800 510.0 0.144 0.208 0.206 0.000 -0.041 0.000 3/28800 520.0 0.141 0.205 0.202 0.000 -0.040 0.000 3/28800 530.0 0.139 0.201 0.199 0.000 -0.039 0.000 3/28800 540.0 0.136 0.198 0.195 0.000 -0.038 0.000 3/28800 550.0 0.134 0.195 0.192 0.000 -0.038 0.000 3/28800 560.0 0.132 0.192 0.189 0.000 -0.037 0.000 3/28800 570.0 0.130 0.189 0.185 0.000 -0.036 0.000 3/28800 580.0 0.128 0.186 0.182 0.000 -0.036 0.000 3/28800 590.0 0.126 0.183 0.180 0.000 -0.035 0.000 3/28800 600.0 0.124 0.180 0.177 0.000 -0.035 0.000 3/28800 610.0 0.122 0.177 0.174 0.000 -0.034 0.000 3/28800 620.0 0.120 0.175 0.171 0.000 -0.034 0.000 3/28800 630.0 0.118 0.172 0.169 0.000 -0.033 0.000 3/28800 640.0 0.117 0.170 0.166 0.000 -0.032 0.000 3/28800 650.0 0.115 0.167 0.164 0.000 -0.032 0.000 3/28800 660.0 0.113 0.165 0.162 0.000 -0.031 0.000 3/28800 670.0 0.112 0.163 0.159 0.000 -0.031 0.000 3/28800 680.0 0.110 0.160 0.157 0.000 -0.031 0.000 3/28800 690.0 0.109 0.158 0.155 0.000 -0.030 0.000 3/28800 700.0 0.107 0.156 0.153 0.000 -0.030 0.000 3/28800 710.0 0.106 0.154 0.151 0.000 -0.029 0.000 3/28800 720.0 0.104 0.152 0.149 0.000 -0.029 0.000 3/28800 730.0 0.103 0.150 0.147 0.000 -0.028 0.000 3/28800 740.0 0.102 0.148 0.145 0.000 -0.028 0.000 3/28800 750.0 0.100 0.146 0.143 0.000 -0.028 0.000 3/28800 760.0 0.099 0.144 0.141 0.000 -0.027 0.000 3/28800 770.0 0.098 0.143 0.139 0.000 -0.027 0.000 3/28800 780.0 0.097 0.141 0.138 0.000 -0.027 0.000 3/28800 790.0 0.095 0.139 0.136 0.000 -0.026 0.000 3/28800 800.0 0.094 0.138 0.134 0.000 -0.026 0.000 3/28800 810.0 0.093 0.136 0.133 0.000 -0.026 0.000 3/28800 820.0 0.092 0.134 0.131 0.000 -0.025 0.000 3/28800 830.0 0.091 0.133 0.130 0.000 -0.025 0.000 3/28800 840.0 0.090 0.131 0.128 0.000 -0.025 0.000 3/28800 850.0 0.089 0.130 0.127 0.000 -0.024 0.000 3/28800 860.0 0.088 0.128 0.125 0.000 -0.024 0.000 3/28800 870.0 0.087 0.127 0.124 0.000 -0.024 0.000 3/28800 880.0 0.086 0.126 0.123 0.000 -0.024 0.000 3/28800 890.0 0.085 0.124 0.121 0.000 -0.023 0.000 3/28800 900.0 0.084 0.123 0.120 0.000 -0.023 0.000 3/28800 910.0 0.083 0.122 0.119 0.000 -0.023 0.000 3/28800 920.0 0.082 0.120 0.117 0.000 -0.023 0.000 3/28800 930.0 0.082 0.119 0.116 0.000 -0.022 0.000 3/28800 940.0 0.081 0.118 0.115 0.000 -0.022 0.000 3/28800 950.0 0.080 0.117 0.114 0.000 -0.022 0.000 3/28800 960.0 0.079 0.116 0.113 0.000 -0.022 0.000 3/28800 970.0 0.078 0.114 0.111 0.000 -0.021 0.000 3/28800 980.0 0.078 0.113 0.110 0.000 -0.021 0.000 3/28800 990.0 0.077 0.112 0.109 0.000 -0.021 0.000 3/28800 1000.0 0.076 0.111 0.108 0.000 -0.021 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1046.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:02:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|