# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8c732491-1846-41d0-8a08-4604c09489e4/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SrNd2O4 / Pnma (62) / materials id 755405](https://mdr.nims.go.jp/datasets/fde7ec55-293a-40a8-aaee-ba3cd87f3ca6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:42:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.575674160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): *1 Sr 0.23944310849298 0.75000000000000 0.35074020299611 87.620 2 Sr 0.26055689150702 0.25000000000000 0.85074020299611 87.620 3 Sr 0.73944310849298 0.75000000000000 0.14925979700389 87.620 4 Sr 0.76055689150702 0.25000000000000 0.64925979700389 87.620 *5 Nd 0.43802228292501 0.75000000000000 0.61813694572820 144.242 *6 Nd 0.39814069728663 0.75000000000000 0.10547995995390 144.242 7 Nd 0.10185930271337 0.25000000000000 0.60547995995390 144.242 8 Nd 0.06197771707499 0.25000000000000 0.11813694572820 144.242 9 Nd 0.93802228292501 0.75000000000000 0.88186305427180 144.242 10 Nd 0.89814069728664 0.75000000000000 0.39452004004610 144.242 11 Nd 0.60185930271336 0.25000000000000 0.89452004004610 144.242 12 Nd 0.56197771707499 0.25000000000000 0.38186305427180 144.242 *13 O 0.51003980965150 0.25000000000000 0.71561525865415 15.999 *14 O 0.43850289274726 0.75000000000000 0.91537356048458 15.999 *15 O 0.35376523023541 0.25000000000000 0.49143260364078 15.999 *16 O 0.27379983293193 0.25000000000000 0.19097521332232 15.999 17 O 0.22620016706807 0.75000000000000 0.69097521332232 15.999 18 O 0.14623476976459 0.75000000000000 0.99143260364078 15.999 19 O 0.06149710725274 0.25000000000000 0.41537356048458 15.999 20 O 0.98996019034850 0.75000000000000 0.21561525865415 15.999 21 O 0.01003980965150 0.25000000000000 0.78438474134585 15.999 22 O 0.93850289274726 0.75000000000000 0.58462643951542 15.999 23 O 0.85376523023541 0.25000000000000 0.00856739635922 15.999 24 O 0.77379983293193 0.25000000000000 0.30902478667768 15.999 25 O 0.72620016706807 0.75000000000000 0.80902478667768 15.999 26 O 0.64623476976459 0.75000000000000 0.50856739635922 15.999 27 O 0.56149710725274 0.25000000000000 0.08462643951542 15.999 28 O 0.48996019034850 0.75000000000000 0.28438474134585 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.575674160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): *1 Sr 0.23944310849298 0.75000000000000 0.35074020299611 87.620 > 1 2 Sr 0.26055689150702 0.25000000000000 0.85074020299611 87.620 > 2 3 Sr 0.73944310849298 0.75000000000000 0.14925979700389 87.620 > 3 4 Sr 0.76055689150702 0.25000000000000 0.64925979700389 87.620 > 4 *5 Nd 0.43802228292501 0.75000000000000 0.61813694572820 144.242 > 5 *6 Nd 0.39814069728663 0.75000000000000 0.10547995995390 144.242 > 6 7 Nd 0.10185930271337 0.25000000000000 0.60547995995390 144.242 > 7 8 Nd 0.06197771707499 0.25000000000000 0.11813694572820 144.242 > 8 9 Nd 0.93802228292501 0.75000000000000 0.88186305427180 144.242 > 9 10 Nd 0.89814069728664 0.75000000000000 0.39452004004610 144.242 > 10 11 Nd 0.60185930271336 0.25000000000000 0.89452004004610 144.242 > 11 12 Nd 0.56197771707499 0.25000000000000 0.38186305427180 144.242 > 12 *13 O 0.51003980965150 0.25000000000000 0.71561525865415 15.999 > 13 *14 O 0.43850289274726 0.75000000000000 0.91537356048458 15.999 > 14 *15 O 0.35376523023541 0.25000000000000 0.49143260364078 15.999 > 15 *16 O 0.27379983293193 0.25000000000000 0.19097521332232 15.999 > 16 17 O 0.22620016706807 0.75000000000000 0.69097521332232 15.999 > 17 18 O 0.14623476976459 0.75000000000000 0.99143260364078 15.999 > 18 19 O 0.06149710725274 0.25000000000000 0.41537356048458 15.999 > 19 20 O 0.98996019034850 0.75000000000000 0.21561525865415 15.999 > 20 21 O 0.01003980965150 0.25000000000000 0.78438474134585 15.999 > 21 22 O 0.93850289274726 0.75000000000000 0.58462643951542 15.999 > 22 23 O 0.85376523023541 0.25000000000000 0.00856739635922 15.999 > 23 24 O 0.77379983293193 0.25000000000000 0.30902478667768 15.999 > 24 25 O 0.72620016706807 0.75000000000000 0.80902478667768 15.999 > 25 26 O 0.64623476976459 0.75000000000000 0.50856739635922 15.999 > 26 27 O 0.56149710725274 0.25000000000000 0.08462643951542 15.999 > 27 28 O 0.48996019034850 0.75000000000000 0.28438474134585 15.999 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.727022480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): *1 Sr 0.23944310849298 0.25000000000000 0.35074020299611 87.620 > 1 2 Sr 0.23944310849298 0.58333333333333 0.35074020299611 87.620 > 1 3 Sr 0.23944310849298 0.91666666666667 0.35074020299611 87.620 > 1 4 Sr 0.26055689150702 0.08333333333333 0.85074020299611 87.620 > 2 5 Sr 0.26055689150702 0.41666666666667 0.85074020299611 87.620 > 2 6 Sr 0.26055689150702 0.75000000000000 0.85074020299611 87.620 > 2 7 Sr 0.73944310849298 0.25000000000000 0.14925979700389 87.620 > 3 8 Sr 0.73944310849298 0.58333333333333 0.14925979700389 87.620 > 3 9 Sr 0.73944310849298 0.91666666666667 0.14925979700389 87.620 > 3 10 Sr 0.76055689150702 0.08333333333333 0.64925979700389 87.620 > 4 11 Sr 0.76055689150702 0.41666666666667 0.64925979700389 87.620 > 4 12 Sr 0.76055689150702 0.75000000000000 0.64925979700389 87.620 > 4 *13 Nd 0.43802228292501 0.25000000000000 0.61813694572820 144.242 > 5 14 Nd 0.43802228292501 0.58333333333333 0.61813694572820 144.242 > 5 15 Nd 0.43802228292501 0.91666666666667 0.61813694572820 144.242 > 5 *16 Nd 0.39814069728663 0.25000000000000 0.10547995995390 144.242 > 6 17 Nd 0.39814069728663 0.58333333333333 0.10547995995390 144.242 > 6 18 Nd 0.39814069728663 0.91666666666667 0.10547995995390 144.242 > 6 19 Nd 0.10185930271337 0.08333333333333 0.60547995995390 144.242 > 7 20 Nd 0.10185930271337 0.41666666666667 0.60547995995390 144.242 > 7 21 Nd 0.10185930271337 0.75000000000000 0.60547995995390 144.242 > 7 22 Nd 0.06197771707499 0.08333333333333 0.11813694572820 144.242 > 8 23 Nd 0.06197771707499 0.41666666666667 0.11813694572820 144.242 > 8 24 Nd 0.06197771707499 0.75000000000000 0.11813694572820 144.242 > 8 25 Nd 0.93802228292501 0.25000000000000 0.88186305427180 144.242 > 9 26 Nd 0.93802228292501 0.58333333333333 0.88186305427180 144.242 > 9 27 Nd 0.93802228292501 0.91666666666667 0.88186305427180 144.242 > 9 28 Nd 0.89814069728664 0.25000000000000 0.39452004004610 144.242 > 10 29 Nd 0.89814069728664 0.58333333333333 0.39452004004610 144.242 > 10 30 Nd 0.89814069728664 0.91666666666667 0.39452004004610 144.242 > 10 31 Nd 0.60185930271336 0.08333333333333 0.89452004004610 144.242 > 11 32 Nd 0.60185930271336 0.41666666666667 0.89452004004610 144.242 > 11 33 Nd 0.60185930271336 0.75000000000000 0.89452004004610 144.242 > 11 34 Nd 0.56197771707499 0.08333333333333 0.38186305427180 144.242 > 12 35 Nd 0.56197771707499 0.41666666666667 0.38186305427180 144.242 > 12 36 Nd 0.56197771707499 0.75000000000000 0.38186305427180 144.242 > 12 *37 O 0.51003980965150 0.08333333333333 0.71561525865415 15.999 > 13 38 O 0.51003980965150 0.41666666666667 0.71561525865415 15.999 > 13 39 O 0.51003980965150 0.75000000000000 0.71561525865415 15.999 > 13 *40 O 0.43850289274726 0.25000000000000 0.91537356048458 15.999 > 14 41 O 0.43850289274726 0.58333333333333 0.91537356048458 15.999 > 14 42 O 0.43850289274726 0.91666666666667 0.91537356048458 15.999 > 14 *43 O 0.35376523023541 0.08333333333333 0.49143260364078 15.999 > 15 44 O 0.35376523023541 0.41666666666667 0.49143260364078 15.999 > 15 45 O 0.35376523023541 0.75000000000000 0.49143260364078 15.999 > 15 *46 O 0.27379983293193 0.08333333333333 0.19097521332232 15.999 > 16 47 O 0.27379983293193 0.41666666666667 0.19097521332232 15.999 > 16 48 O 0.27379983293193 0.75000000000000 0.19097521332232 15.999 > 16 49 O 0.22620016706807 0.25000000000000 0.69097521332232 15.999 > 17 50 O 0.22620016706807 0.58333333333333 0.69097521332232 15.999 > 17 51 O 0.22620016706807 0.91666666666667 0.69097521332232 15.999 > 17 52 O 0.14623476976459 0.25000000000000 0.99143260364078 15.999 > 18 53 O 0.14623476976459 0.58333333333333 0.99143260364078 15.999 > 18 54 O 0.14623476976459 0.91666666666667 0.99143260364078 15.999 > 18 55 O 0.06149710725274 0.08333333333333 0.41537356048458 15.999 > 19 56 O 0.06149710725274 0.41666666666667 0.41537356048458 15.999 > 19 57 O 0.06149710725274 0.75000000000000 0.41537356048458 15.999 > 19 58 O 0.98996019034850 0.25000000000000 0.21561525865415 15.999 > 20 59 O 0.98996019034850 0.58333333333333 0.21561525865415 15.999 > 20 60 O 0.98996019034850 0.91666666666667 0.21561525865415 15.999 > 20 61 O 0.01003980965150 0.08333333333333 0.78438474134585 15.999 > 21 62 O 0.01003980965150 0.41666666666667 0.78438474134585 15.999 > 21 63 O 0.01003980965150 0.75000000000000 0.78438474134585 15.999 > 21 64 O 0.93850289274726 0.25000000000000 0.58462643951542 15.999 > 22 65 O 0.93850289274726 0.58333333333333 0.58462643951542 15.999 > 22 66 O 0.93850289274726 0.91666666666667 0.58462643951542 15.999 > 22 67 O 0.85376523023541 0.08333333333333 0.00856739635922 15.999 > 23 68 O 0.85376523023541 0.41666666666667 0.00856739635922 15.999 > 23 69 O 0.85376523023541 0.75000000000000 0.00856739635922 15.999 > 23 70 O 0.77379983293193 0.08333333333333 0.30902478667768 15.999 > 24 71 O 0.77379983293193 0.41666666666667 0.30902478667768 15.999 > 24 72 O 0.77379983293193 0.75000000000000 0.30902478667768 15.999 > 24 73 O 0.72620016706807 0.25000000000000 0.80902478667768 15.999 > 25 74 O 0.72620016706807 0.58333333333333 0.80902478667768 15.999 > 25 75 O 0.72620016706807 0.91666666666667 0.80902478667768 15.999 > 25 76 O 0.64623476976459 0.25000000000000 0.50856739635922 15.999 > 26 77 O 0.64623476976459 0.58333333333333 0.50856739635922 15.999 > 26 78 O 0.64623476976459 0.91666666666667 0.50856739635922 15.999 > 26 79 O 0.56149710725274 0.08333333333333 0.08462643951542 15.999 > 27 80 O 0.56149710725274 0.41666666666667 0.08462643951542 15.999 > 27 81 O 0.56149710725274 0.75000000000000 0.08462643951542 15.999 > 27 82 O 0.48996019034850 0.25000000000000 0.28438474134585 15.999 > 28 83 O 0.48996019034850 0.58333333333333 0.28438474134585 15.999 > 28 84 O 0.48996019034850 0.91666666666667 0.28438474134585 15.999 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5183738 0.0000000 0.0000000 0.0000000 4.7038202 0.0000000 0.0000000 0.0000000 4.5115498-------------------------- Born effective charges -------------------------- 1 Sr 2.5852582 0.0000000 -0.0229963 0.0000000 2.4408217 0.0000000 -0.0922115 0.0000000 2.5181845 2 Sr 2.5852582 0.0000000 0.0229963 0.0000000 2.4408217 0.0000000 0.0922115 0.0000000 2.5181845 3 Sr 2.5852582 0.0000000 0.0229963 0.0000000 2.4408217 0.0000000 0.0922115 0.0000000 2.5181845 4 Sr 2.5852582 0.0000000 -0.0229963 0.0000000 2.4408217 0.0000000 -0.0922115 0.0000000 2.5181845 5 Nd 3.7862090 0.0000000 -0.1805479 0.0000000 4.4974823 0.0000000 0.0240117 0.0000000 3.6189929 6 Nd 3.6888970 0.0000000 -0.2884718 0.0000000 4.0119849 0.0000000 -0.1436879 0.0000000 4.0841186 7 Nd 3.6888970 0.0000000 0.2884718 0.0000000 4.0119849 0.0000000 0.1436879 0.0000000 4.0841186 8 Nd 3.7862090 0.0000000 0.1805479 0.0000000 4.4974823 0.0000000 -0.0240117 0.0000000 3.6189929 9 Nd 3.7862090 0.0000000 0.1805479 0.0000000 4.4974823 0.0000000 -0.0240117 0.0000000 3.6189929 10 Nd 3.6888970 0.0000000 0.2884718 0.0000000 4.0119849 0.0000000 0.1436879 0.0000000 4.0841186 11 Nd 3.6888970 0.0000000 -0.2884718 0.0000000 4.0119849 0.0000000 -0.1436879 0.0000000 4.0841186 12 Nd 3.7862090 0.0000000 -0.1805479 0.0000000 4.4974823 0.0000000 0.0240117 0.0000000 3.6189929 13 O -2.0889230 0.0000000 -0.5341007 0.0000000 -2.9106946 0.0000000 -0.6284313 0.0000000 -3.0199515 14 O -2.4366047 0.0000000 0.1641563 0.0000000 -2.7264274 0.0000000 0.2071838 0.0000000 -2.4635247 15 O -2.5918472 0.0000000 0.1346120 0.0000000 -2.5784331 0.0000000 0.1058050 0.0000000 -2.5301869 16 O -2.9429894 0.0000000 0.0434569 0.0000000 -2.7347338 0.0000000 0.0483482 0.0000000 -2.2076328 17 O -2.9429894 0.0000000 -0.0434569 0.0000000 -2.7347338 0.0000000 -0.0483482 0.0000000 -2.2076328 18 O -2.5918472 0.0000000 -0.1346120 0.0000000 -2.5784331 0.0000000 -0.1058050 0.0000000 -2.5301869 19 O -2.4366047 0.0000000 -0.1641563 0.0000000 -2.7264274 0.0000000 -0.2071838 0.0000000 -2.4635247 20 O -2.0889230 0.0000000 0.5341007 0.0000000 -2.9106946 0.0000000 0.6284313 0.0000000 -3.0199515 21 O -2.0889230 0.0000000 0.5341007 0.0000000 -2.9106946 0.0000000 0.6284313 0.0000000 -3.0199515 22 O -2.4366047 0.0000000 -0.1641563 0.0000000 -2.7264274 0.0000000 -0.2071838 0.0000000 -2.4635247 23 O -2.5918472 0.0000000 -0.1346120 0.0000000 -2.5784331 0.0000000 -0.1058050 0.0000000 -2.5301869 24 O -2.9429894 0.0000000 -0.0434569 0.0000000 -2.7347338 0.0000000 -0.0483482 0.0000000 -2.2076328 25 O -2.9429894 0.0000000 0.0434569 0.0000000 -2.7347338 0.0000000 0.0483482 0.0000000 -2.2076328 26 O -2.5918472 0.0000000 0.1346120 0.0000000 -2.5784331 0.0000000 0.1058050 0.0000000 -2.5301869 27 O -2.4366047 0.0000000 0.1641563 0.0000000 -2.7264274 0.0000000 0.2071838 0.0000000 -2.4635247 28 O -2.0889230 0.0000000 -0.5341007 0.0000000 -2.9106946 0.0000000 -0.6284313 0.0000000 -3.0199515----------------------------------------------------------------------------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: 252/252Permutation basis: 10794/10794Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1456Number of blocks in projector: 1456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 392Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 196Use standard eigh solver.Tree of FC basis block matrices:- (1456, 1421), data: False|-- (196, 196), data: True|-- (196, 196), data: True|-- (224, 217), data: True|-- (224, 217), data: True|-- (224, 217), data: True|-- (392, 378), data: True-----Solver_atoms: 1 -- 84 / 84Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 480 - Time: 1.478Solver_block: 200 / 480 - Time: 1.452Solver_block: 300 / 480 - Time: 1.448Solver_block: 400 / 480 - Time: 1.444Solver_block: 480 / 480 - Time: 1.201Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.055--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252Permutation basis: 10794/10794Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1456Number of blocks in projector: 1456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 392Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 196Use standard eigh solver.Tree of FC basis block matrices:- (1456, 1421), data: False|-- (196, 196), data: True|-- (196, 196), data: True|-- (224, 217), data: True|-- (224, 217), data: True|-- (224, 217), data: True|-- (392, 378), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 23:42:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:42:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.575674160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): 1 Sr 0.23944310849298 0.75000000000000 0.35074020299611 87.620 2 Sr 0.26055689150702 0.25000000000000 0.85074020299611 87.620 3 Sr 0.73944310849298 0.75000000000000 0.14925979700389 87.620 4 Sr 0.76055689150702 0.25000000000000 0.64925979700389 87.620 5 Nd 0.43802228292501 0.75000000000000 0.61813694572820 144.242 6 Nd 0.39814069728663 0.75000000000000 0.10547995995390 144.242 7 Nd 0.10185930271337 0.25000000000000 0.60547995995390 144.242 8 Nd 0.06197771707499 0.25000000000000 0.11813694572820 144.242 9 Nd 0.93802228292501 0.75000000000000 0.88186305427180 144.242 10 Nd 0.89814069728664 0.75000000000000 0.39452004004610 144.242 11 Nd 0.60185930271336 0.25000000000000 0.89452004004610 144.242 12 Nd 0.56197771707499 0.25000000000000 0.38186305427180 144.242 13 O 0.51003980965150 0.25000000000000 0.71561525865415 15.999 14 O 0.43850289274726 0.75000000000000 0.91537356048458 15.999 15 O 0.35376523023541 0.25000000000000 0.49143260364078 15.999 16 O 0.27379983293193 0.25000000000000 0.19097521332232 15.999 17 O 0.22620016706807 0.75000000000000 0.69097521332232 15.999 18 O 0.14623476976459 0.75000000000000 0.99143260364078 15.999 19 O 0.06149710725274 0.25000000000000 0.41537356048458 15.999 20 O 0.98996019034850 0.75000000000000 0.21561525865415 15.999 21 O 0.01003980965150 0.25000000000000 0.78438474134585 15.999 22 O 0.93850289274726 0.75000000000000 0.58462643951542 15.999 23 O 0.85376523023541 0.25000000000000 0.00856739635922 15.999 24 O 0.77379983293193 0.25000000000000 0.30902478667768 15.999 25 O 0.72620016706807 0.75000000000000 0.80902478667768 15.999 26 O 0.64623476976459 0.75000000000000 0.50856739635922 15.999 27 O 0.56149710725274 0.25000000000000 0.08462643951542 15.999 28 O 0.48996019034850 0.75000000000000 0.28438474134585 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.727022480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): 1 Sr 0.23944310849298 0.25000000000000 0.35074020299611 87.620 > 1 2 Sr 0.23944310849298 0.58333333333333 0.35074020299611 87.620 > 1 3 Sr 0.23944310849298 0.91666666666667 0.35074020299611 87.620 > 1 4 Sr 0.26055689150702 0.08333333333333 0.85074020299611 87.620 > 4 5 Sr 0.26055689150702 0.41666666666667 0.85074020299611 87.620 > 4 6 Sr 0.26055689150702 0.75000000000000 0.85074020299611 87.620 > 4 7 Sr 0.73944310849298 0.25000000000000 0.14925979700389 87.620 > 7 8 Sr 0.73944310849298 0.58333333333333 0.14925979700389 87.620 > 7 9 Sr 0.73944310849298 0.91666666666667 0.14925979700389 87.620 > 7 10 Sr 0.76055689150702 0.08333333333333 0.64925979700389 87.620 > 10 11 Sr 0.76055689150702 0.41666666666667 0.64925979700389 87.620 > 10 12 Sr 0.76055689150702 0.75000000000000 0.64925979700389 87.620 > 10 13 Nd 0.43802228292501 0.25000000000000 0.61813694572820 144.242 > 13 14 Nd 0.43802228292501 0.58333333333333 0.61813694572820 144.242 > 13 15 Nd 0.43802228292501 0.91666666666667 0.61813694572820 144.242 > 13 16 Nd 0.39814069728663 0.25000000000000 0.10547995995390 144.242 > 16 17 Nd 0.39814069728663 0.58333333333333 0.10547995995390 144.242 > 16 18 Nd 0.39814069728663 0.91666666666667 0.10547995995390 144.242 > 16 19 Nd 0.10185930271337 0.08333333333333 0.60547995995390 144.242 > 19 20 Nd 0.10185930271337 0.41666666666667 0.60547995995390 144.242 > 19 21 Nd 0.10185930271337 0.75000000000000 0.60547995995390 144.242 > 19 22 Nd 0.06197771707499 0.08333333333333 0.11813694572820 144.242 > 22 23 Nd 0.06197771707499 0.41666666666667 0.11813694572820 144.242 > 22 24 Nd 0.06197771707499 0.75000000000000 0.11813694572820 144.242 > 22 25 Nd 0.93802228292501 0.25000000000000 0.88186305427180 144.242 > 25 26 Nd 0.93802228292501 0.58333333333333 0.88186305427180 144.242 > 25 27 Nd 0.93802228292501 0.91666666666667 0.88186305427180 144.242 > 25 28 Nd 0.89814069728664 0.25000000000000 0.39452004004610 144.242 > 28 29 Nd 0.89814069728664 0.58333333333333 0.39452004004610 144.242 > 28 30 Nd 0.89814069728664 0.91666666666667 0.39452004004610 144.242 > 28 31 Nd 0.60185930271336 0.08333333333333 0.89452004004610 144.242 > 31 32 Nd 0.60185930271336 0.41666666666667 0.89452004004610 144.242 > 31 33 Nd 0.60185930271336 0.75000000000000 0.89452004004610 144.242 > 31 34 Nd 0.56197771707499 0.08333333333333 0.38186305427180 144.242 > 34 35 Nd 0.56197771707499 0.41666666666667 0.38186305427180 144.242 > 34 36 Nd 0.56197771707499 0.75000000000000 0.38186305427180 144.242 > 34 37 O 0.51003980965150 0.08333333333333 0.71561525865415 15.999 > 37 38 O 0.51003980965150 0.41666666666667 0.71561525865415 15.999 > 37 39 O 0.51003980965150 0.75000000000000 0.71561525865415 15.999 > 37 40 O 0.43850289274726 0.25000000000000 0.91537356048458 15.999 > 40 41 O 0.43850289274726 0.58333333333333 0.91537356048458 15.999 > 40 42 O 0.43850289274726 0.91666666666667 0.91537356048458 15.999 > 40 43 O 0.35376523023541 0.08333333333333 0.49143260364078 15.999 > 43 44 O 0.35376523023541 0.41666666666667 0.49143260364078 15.999 > 43 45 O 0.35376523023541 0.75000000000000 0.49143260364078 15.999 > 43 46 O 0.27379983293193 0.08333333333333 0.19097521332232 15.999 > 46 47 O 0.27379983293193 0.41666666666667 0.19097521332232 15.999 > 46 48 O 0.27379983293193 0.75000000000000 0.19097521332232 15.999 > 46 49 O 0.22620016706807 0.25000000000000 0.69097521332232 15.999 > 49 50 O 0.22620016706807 0.58333333333333 0.69097521332232 15.999 > 49 51 O 0.22620016706807 0.91666666666667 0.69097521332232 15.999 > 49 52 O 0.14623476976459 0.25000000000000 0.99143260364078 15.999 > 52 53 O 0.14623476976459 0.58333333333333 0.99143260364078 15.999 > 52 54 O 0.14623476976459 0.91666666666667 0.99143260364078 15.999 > 52 55 O 0.06149710725274 0.08333333333333 0.41537356048458 15.999 > 55 56 O 0.06149710725274 0.41666666666667 0.41537356048458 15.999 > 55 57 O 0.06149710725274 0.75000000000000 0.41537356048458 15.999 > 55 58 O 0.98996019034850 0.25000000000000 0.21561525865415 15.999 > 58 59 O 0.98996019034850 0.58333333333333 0.21561525865415 15.999 > 58 60 O 0.98996019034850 0.91666666666667 0.21561525865415 15.999 > 58 61 O 0.01003980965150 0.08333333333333 0.78438474134585 15.999 > 61 62 O 0.01003980965150 0.41666666666667 0.78438474134585 15.999 > 61 63 O 0.01003980965150 0.75000000000000 0.78438474134585 15.999 > 61 64 O 0.93850289274726 0.25000000000000 0.58462643951542 15.999 > 64 65 O 0.93850289274726 0.58333333333333 0.58462643951542 15.999 > 64 66 O 0.93850289274726 0.91666666666667 0.58462643951542 15.999 > 64 67 O 0.85376523023541 0.08333333333333 0.00856739635922 15.999 > 67 68 O 0.85376523023541 0.41666666666667 0.00856739635922 15.999 > 67 69 O 0.85376523023541 0.75000000000000 0.00856739635922 15.999 > 67 70 O 0.77379983293193 0.08333333333333 0.30902478667768 15.999 > 70 71 O 0.77379983293193 0.41666666666667 0.30902478667768 15.999 > 70 72 O 0.77379983293193 0.75000000000000 0.30902478667768 15.999 > 70 73 O 0.72620016706807 0.25000000000000 0.80902478667768 15.999 > 73 74 O 0.72620016706807 0.58333333333333 0.80902478667768 15.999 > 73 75 O 0.72620016706807 0.91666666666667 0.80902478667768 15.999 > 73 76 O 0.64623476976459 0.25000000000000 0.50856739635922 15.999 > 76 77 O 0.64623476976459 0.58333333333333 0.50856739635922 15.999 > 76 78 O 0.64623476976459 0.91666666666667 0.50856739635922 15.999 > 76 79 O 0.56149710725274 0.08333333333333 0.08462643951542 15.999 > 79 80 O 0.56149710725274 0.41666666666667 0.08462643951542 15.999 > 79 81 O 0.56149710725274 0.75000000000000 0.08462643951542 15.999 > 79 82 O 0.48996019034850 0.25000000000000 0.28438474134585 15.999 > 82 83 O 0.48996019034850 0.58333333333333 0.28438474134585 15.999 > 82 84 O 0.48996019034850 0.91666666666667 0.28438474134585 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5183738 0.0000000 0.0000000 0.0000000 4.7038202 0.0000000 0.0000000 0.0000000 4.5115498-------------------------- Born effective charges -------------------------- 1 Sr 2.5852582 0.0000000 -0.0229963 0.0000000 2.4408217 0.0000000 -0.0922115 0.0000000 2.5181845 2 Sr 2.5852582 0.0000000 0.0229963 0.0000000 2.4408217 0.0000000 0.0922115 0.0000000 2.5181845 3 Sr 2.5852582 0.0000000 0.0229963 0.0000000 2.4408217 0.0000000 0.0922115 0.0000000 2.5181845 4 Sr 2.5852582 0.0000000 -0.0229963 0.0000000 2.4408217 0.0000000 -0.0922115 0.0000000 2.5181845 5 Nd 3.7862090 0.0000000 -0.1805479 0.0000000 4.4974823 0.0000000 0.0240117 0.0000000 3.6189929 6 Nd 3.6888970 0.0000000 -0.2884718 0.0000000 4.0119849 0.0000000 -0.1436879 0.0000000 4.0841186 7 Nd 3.6888970 0.0000000 0.2884718 0.0000000 4.0119849 0.0000000 0.1436879 0.0000000 4.0841186 8 Nd 3.7862090 0.0000000 0.1805479 0.0000000 4.4974823 0.0000000 -0.0240117 0.0000000 3.6189929 9 Nd 3.7862090 0.0000000 0.1805479 0.0000000 4.4974823 0.0000000 -0.0240117 0.0000000 3.6189929 10 Nd 3.6888970 0.0000000 0.2884718 0.0000000 4.0119849 0.0000000 0.1436879 0.0000000 4.0841186 11 Nd 3.6888970 0.0000000 -0.2884718 0.0000000 4.0119849 0.0000000 -0.1436879 0.0000000 4.0841186 12 Nd 3.7862090 0.0000000 -0.1805479 0.0000000 4.4974823 0.0000000 0.0240117 0.0000000 3.6189929 13 O -2.0889230 0.0000000 -0.5341007 0.0000000 -2.9106946 0.0000000 -0.6284313 0.0000000 -3.0199515 14 O -2.4366047 0.0000000 0.1641563 0.0000000 -2.7264274 0.0000000 0.2071838 0.0000000 -2.4635247 15 O -2.5918472 0.0000000 0.1346120 0.0000000 -2.5784331 0.0000000 0.1058050 0.0000000 -2.5301869 16 O -2.9429894 0.0000000 0.0434569 0.0000000 -2.7347338 0.0000000 0.0483482 0.0000000 -2.2076328 17 O -2.9429894 0.0000000 -0.0434569 0.0000000 -2.7347338 0.0000000 -0.0483482 0.0000000 -2.2076328 18 O -2.5918472 0.0000000 -0.1346120 0.0000000 -2.5784331 0.0000000 -0.1058050 0.0000000 -2.5301869 19 O -2.4366047 0.0000000 -0.1641563 0.0000000 -2.7264274 0.0000000 -0.2071838 0.0000000 -2.4635247 20 O -2.0889230 0.0000000 0.5341007 0.0000000 -2.9106946 0.0000000 0.6284313 0.0000000 -3.0199515 21 O -2.0889230 0.0000000 0.5341007 0.0000000 -2.9106946 0.0000000 0.6284313 0.0000000 -3.0199515 22 O -2.4366047 0.0000000 -0.1641563 0.0000000 -2.7264274 0.0000000 -0.2071838 0.0000000 -2.4635247 23 O -2.5918472 0.0000000 -0.1346120 0.0000000 -2.5784331 0.0000000 -0.1058050 0.0000000 -2.5301869 24 O -2.9429894 0.0000000 -0.0434569 0.0000000 -2.7347338 0.0000000 -0.0483482 0.0000000 -2.2076328 25 O -2.9429894 0.0000000 0.0434569 0.0000000 -2.7347338 0.0000000 0.0483482 0.0000000 -2.2076328 26 O -2.5918472 0.0000000 0.1346120 0.0000000 -2.5784331 0.0000000 0.1058050 0.0000000 -2.5301869 27 O -2.4366047 0.0000000 0.1641563 0.0000000 -2.7264274 0.0000000 0.2071838 0.0000000 -2.4635247 28 O -2.0889230 0.0000000 -0.5341007 0.0000000 -2.9106946 0.0000000 -0.6284313 0.0000000 -3.0199515----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 16, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 40, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 43, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 46, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:42:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:42:42]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.575674160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): 1 Sr 0.23944310849298 0.75000000000000 0.35074020299611 87.620 2 Sr 0.26055689150702 0.25000000000000 0.85074020299611 87.620 3 Sr 0.73944310849298 0.75000000000000 0.14925979700389 87.620 4 Sr 0.76055689150702 0.25000000000000 0.64925979700389 87.620 5 Nd 0.43802228292501 0.75000000000000 0.61813694572820 144.242 6 Nd 0.39814069728663 0.75000000000000 0.10547995995390 144.242 7 Nd 0.10185930271337 0.25000000000000 0.60547995995390 144.242 8 Nd 0.06197771707499 0.25000000000000 0.11813694572820 144.242 9 Nd 0.93802228292501 0.75000000000000 0.88186305427180 144.242 10 Nd 0.89814069728664 0.75000000000000 0.39452004004610 144.242 11 Nd 0.60185930271336 0.25000000000000 0.89452004004610 144.242 12 Nd 0.56197771707499 0.25000000000000 0.38186305427180 144.242 13 O 0.51003980965150 0.25000000000000 0.71561525865415 15.999 14 O 0.43850289274726 0.75000000000000 0.91537356048458 15.999 15 O 0.35376523023541 0.25000000000000 0.49143260364078 15.999 16 O 0.27379983293193 0.25000000000000 0.19097521332232 15.999 17 O 0.22620016706807 0.75000000000000 0.69097521332232 15.999 18 O 0.14623476976459 0.75000000000000 0.99143260364078 15.999 19 O 0.06149710725274 0.25000000000000 0.41537356048458 15.999 20 O 0.98996019034850 0.75000000000000 0.21561525865415 15.999 21 O 0.01003980965150 0.25000000000000 0.78438474134585 15.999 22 O 0.93850289274726 0.75000000000000 0.58462643951542 15.999 23 O 0.85376523023541 0.25000000000000 0.00856739635922 15.999 24 O 0.77379983293193 0.25000000000000 0.30902478667768 15.999 25 O 0.72620016706807 0.75000000000000 0.80902478667768 15.999 26 O 0.64623476976459 0.75000000000000 0.50856739635922 15.999 27 O 0.56149710725274 0.25000000000000 0.08462643951542 15.999 28 O 0.48996019034850 0.75000000000000 0.28438474134585 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.979673599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.727022480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.178976080000000Atomic positions (fractional): 1 Sr 0.23944310849298 0.25000000000000 0.35074020299611 87.620 > 1 2 Sr 0.23944310849298 0.58333333333333 0.35074020299611 87.620 > 1 3 Sr 0.23944310849298 0.91666666666667 0.35074020299611 87.620 > 1 4 Sr 0.26055689150702 0.08333333333333 0.85074020299611 87.620 > 4 5 Sr 0.26055689150702 0.41666666666667 0.85074020299611 87.620 > 4 6 Sr 0.26055689150702 0.75000000000000 0.85074020299611 87.620 > 4 7 Sr 0.73944310849298 0.25000000000000 0.14925979700389 87.620 > 7 8 Sr 0.73944310849298 0.58333333333333 0.14925979700389 87.620 > 7 9 Sr 0.73944310849298 0.91666666666667 0.14925979700389 87.620 > 7 10 Sr 0.76055689150702 0.08333333333333 0.64925979700389 87.620 > 10 11 Sr 0.76055689150702 0.41666666666667 0.64925979700389 87.620 > 10 12 Sr 0.76055689150702 0.75000000000000 0.64925979700389 87.620 > 10 13 Nd 0.43802228292501 0.25000000000000 0.61813694572820 144.242 > 13 14 Nd 0.43802228292501 0.58333333333333 0.61813694572820 144.242 > 13 15 Nd 0.43802228292501 0.91666666666667 0.61813694572820 144.242 > 13 16 Nd 0.39814069728663 0.25000000000000 0.10547995995390 144.242 > 16 17 Nd 0.39814069728663 0.58333333333333 0.10547995995390 144.242 > 16 18 Nd 0.39814069728663 0.91666666666667 0.10547995995390 144.242 > 16 19 Nd 0.10185930271337 0.08333333333333 0.60547995995390 144.242 > 19 20 Nd 0.10185930271337 0.41666666666667 0.60547995995390 144.242 > 19 21 Nd 0.10185930271337 0.75000000000000 0.60547995995390 144.242 > 19 22 Nd 0.06197771707499 0.08333333333333 0.11813694572820 144.242 > 22 23 Nd 0.06197771707499 0.41666666666667 0.11813694572820 144.242 > 22 24 Nd 0.06197771707499 0.75000000000000 0.11813694572820 144.242 > 22 25 Nd 0.93802228292501 0.25000000000000 0.88186305427180 144.242 > 25 26 Nd 0.93802228292501 0.58333333333333 0.88186305427180 144.242 > 25 27 Nd 0.93802228292501 0.91666666666667 0.88186305427180 144.242 > 25 28 Nd 0.89814069728664 0.25000000000000 0.39452004004610 144.242 > 28 29 Nd 0.89814069728664 0.58333333333333 0.39452004004610 144.242 > 28 30 Nd 0.89814069728664 0.91666666666667 0.39452004004610 144.242 > 28 31 Nd 0.60185930271336 0.08333333333333 0.89452004004610 144.242 > 31 32 Nd 0.60185930271336 0.41666666666667 0.89452004004610 144.242 > 31 33 Nd 0.60185930271336 0.75000000000000 0.89452004004610 144.242 > 31 34 Nd 0.56197771707499 0.08333333333333 0.38186305427180 144.242 > 34 35 Nd 0.56197771707499 0.41666666666667 0.38186305427180 144.242 > 34 36 Nd 0.56197771707499 0.75000000000000 0.38186305427180 144.242 > 34 37 O 0.51003980965150 0.08333333333333 0.71561525865415 15.999 > 37 38 O 0.51003980965150 0.41666666666667 0.71561525865415 15.999 > 37 39 O 0.51003980965150 0.75000000000000 0.71561525865415 15.999 > 37 40 O 0.43850289274726 0.25000000000000 0.91537356048458 15.999 > 40 41 O 0.43850289274726 0.58333333333333 0.91537356048458 15.999 > 40 42 O 0.43850289274726 0.91666666666667 0.91537356048458 15.999 > 40 43 O 0.35376523023541 0.08333333333333 0.49143260364078 15.999 > 43 44 O 0.35376523023541 0.41666666666667 0.49143260364078 15.999 > 43 45 O 0.35376523023541 0.75000000000000 0.49143260364078 15.999 > 43 46 O 0.27379983293193 0.08333333333333 0.19097521332232 15.999 > 46 47 O 0.27379983293193 0.41666666666667 0.19097521332232 15.999 > 46 48 O 0.27379983293193 0.75000000000000 0.19097521332232 15.999 > 46 49 O 0.22620016706807 0.25000000000000 0.69097521332232 15.999 > 49 50 O 0.22620016706807 0.58333333333333 0.69097521332232 15.999 > 49 51 O 0.22620016706807 0.91666666666667 0.69097521332232 15.999 > 49 52 O 0.14623476976459 0.25000000000000 0.99143260364078 15.999 > 52 53 O 0.14623476976459 0.58333333333333 0.99143260364078 15.999 > 52 54 O 0.14623476976459 0.91666666666667 0.99143260364078 15.999 > 52 55 O 0.06149710725274 0.08333333333333 0.41537356048458 15.999 > 55 56 O 0.06149710725274 0.41666666666667 0.41537356048458 15.999 > 55 57 O 0.06149710725274 0.75000000000000 0.41537356048458 15.999 > 55 58 O 0.98996019034850 0.25000000000000 0.21561525865415 15.999 > 58 59 O 0.98996019034850 0.58333333333333 0.21561525865415 15.999 > 58 60 O 0.98996019034850 0.91666666666667 0.21561525865415 15.999 > 58 61 O 0.01003980965150 0.08333333333333 0.78438474134585 15.999 > 61 62 O 0.01003980965150 0.41666666666667 0.78438474134585 15.999 > 61 63 O 0.01003980965150 0.75000000000000 0.78438474134585 15.999 > 61 64 O 0.93850289274726 0.25000000000000 0.58462643951542 15.999 > 64 65 O 0.93850289274726 0.58333333333333 0.58462643951542 15.999 > 64 66 O 0.93850289274726 0.91666666666667 0.58462643951542 15.999 > 64 67 O 0.85376523023541 0.08333333333333 0.00856739635922 15.999 > 67 68 O 0.85376523023541 0.41666666666667 0.00856739635922 15.999 > 67 69 O 0.85376523023541 0.75000000000000 0.00856739635922 15.999 > 67 70 O 0.77379983293193 0.08333333333333 0.30902478667768 15.999 > 70 71 O 0.77379983293193 0.41666666666667 0.30902478667768 15.999 > 70 72 O 0.77379983293193 0.75000000000000 0.30902478667768 15.999 > 70 73 O 0.72620016706807 0.25000000000000 0.80902478667768 15.999 > 73 74 O 0.72620016706807 0.58333333333333 0.80902478667768 15.999 > 73 75 O 0.72620016706807 0.91666666666667 0.80902478667768 15.999 > 73 76 O 0.64623476976459 0.25000000000000 0.50856739635922 15.999 > 76 77 O 0.64623476976459 0.58333333333333 0.50856739635922 15.999 > 76 78 O 0.64623476976459 0.91666666666667 0.50856739635922 15.999 > 76 79 O 0.56149710725274 0.08333333333333 0.08462643951542 15.999 > 79 80 O 0.56149710725274 0.41666666666667 0.08462643951542 15.999 > 79 81 O 0.56149710725274 0.75000000000000 0.08462643951542 15.999 > 79 82 O 0.48996019034850 0.25000000000000 0.28438474134585 15.999 > 82 83 O 0.48996019034850 0.58333333333333 0.28438474134585 15.999 > 82 84 O 0.48996019034850 0.91666666666667 0.28438474134585 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5183738 0.0000000 0.0000000 0.0000000 4.7038202 0.0000000 0.0000000 0.0000000 4.5115498-------------------------- Born effective charges -------------------------- 1 Sr 2.5852582 0.0000000 -0.0229963 0.0000000 2.4408217 0.0000000 -0.0922115 0.0000000 2.5181845 2 Sr 2.5852582 0.0000000 0.0229963 0.0000000 2.4408217 0.0000000 0.0922115 0.0000000 2.5181845 3 Sr 2.5852582 0.0000000 0.0229963 0.0000000 2.4408217 0.0000000 0.0922115 0.0000000 2.5181845 4 Sr 2.5852582 0.0000000 -0.0229963 0.0000000 2.4408217 0.0000000 -0.0922115 0.0000000 2.5181845 5 Nd 3.7862090 0.0000000 -0.1805479 0.0000000 4.4974823 0.0000000 0.0240117 0.0000000 3.6189929 6 Nd 3.6888970 0.0000000 -0.2884718 0.0000000 4.0119849 0.0000000 -0.1436879 0.0000000 4.0841186 7 Nd 3.6888970 0.0000000 0.2884718 0.0000000 4.0119849 0.0000000 0.1436879 0.0000000 4.0841186 8 Nd 3.7862090 0.0000000 0.1805479 0.0000000 4.4974823 0.0000000 -0.0240117 0.0000000 3.6189929 9 Nd 3.7862090 0.0000000 0.1805479 0.0000000 4.4974823 0.0000000 -0.0240117 0.0000000 3.6189929 10 Nd 3.6888970 0.0000000 0.2884718 0.0000000 4.0119849 0.0000000 0.1436879 0.0000000 4.0841186 11 Nd 3.6888970 0.0000000 -0.2884718 0.0000000 4.0119849 0.0000000 -0.1436879 0.0000000 4.0841186 12 Nd 3.7862090 0.0000000 -0.1805479 0.0000000 4.4974823 0.0000000 0.0240117 0.0000000 3.6189929 13 O -2.0889230 0.0000000 -0.5341007 0.0000000 -2.9106946 0.0000000 -0.6284313 0.0000000 -3.0199515 14 O -2.4366047 0.0000000 0.1641563 0.0000000 -2.7264274 0.0000000 0.2071838 0.0000000 -2.4635247 15 O -2.5918472 0.0000000 0.1346120 0.0000000 -2.5784331 0.0000000 0.1058050 0.0000000 -2.5301869 16 O -2.9429894 0.0000000 0.0434569 0.0000000 -2.7347338 0.0000000 0.0483482 0.0000000 -2.2076328 17 O -2.9429894 0.0000000 -0.0434569 0.0000000 -2.7347338 0.0000000 -0.0483482 0.0000000 -2.2076328 18 O -2.5918472 0.0000000 -0.1346120 0.0000000 -2.5784331 0.0000000 -0.1058050 0.0000000 -2.5301869 19 O -2.4366047 0.0000000 -0.1641563 0.0000000 -2.7264274 0.0000000 -0.2071838 0.0000000 -2.4635247 20 O -2.0889230 0.0000000 0.5341007 0.0000000 -2.9106946 0.0000000 0.6284313 0.0000000 -3.0199515 21 O -2.0889230 0.0000000 0.5341007 0.0000000 -2.9106946 0.0000000 0.6284313 0.0000000 -3.0199515 22 O -2.4366047 0.0000000 -0.1641563 0.0000000 -2.7264274 0.0000000 -0.2071838 0.0000000 -2.4635247 23 O -2.5918472 0.0000000 -0.1346120 0.0000000 -2.5784331 0.0000000 -0.1058050 0.0000000 -2.5301869 24 O -2.9429894 0.0000000 -0.0434569 0.0000000 -2.7347338 0.0000000 -0.0483482 0.0000000 -2.2076328 25 O -2.9429894 0.0000000 0.0434569 0.0000000 -2.7347338 0.0000000 0.0483482 0.0000000 -2.2076328 26 O -2.5918472 0.0000000 0.1346120 0.0000000 -2.5784331 0.0000000 0.1058050 0.0000000 -2.5301869 27 O -2.4366047 0.0000000 0.1641563 0.0000000 -2.7264274 0.0000000 0.2071838 0.0000000 -2.4635247 28 O -2.0889230 0.0000000 -0.5341007 0.0000000 -2.9106946 0.0000000 -0.6284313 0.0000000 -3.0199515----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 14 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 289, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/72) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 11.548 ( 0.000 0.000 0.000) 0.000 12.029 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.131 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 13.143 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 13.166 ( 0.000 0.000 0.000) 0.000 13.276 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 15.273 ( 0.000 0.000 0.000) 0.000 15.694 ( 0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 16.989 ( 0.000 0.000 0.000) 0.000 17.281 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/72) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( 25.495 0.000 0.000) 25.495 0.555 ( 27.313 0.000 0.000) 27.313 0.718 ( 36.545 0.000 0.000) 36.545 1.742 ( -11.136 0.000 0.000) 11.136 1.864 ( -5.020 0.000 0.000) 5.020 1.939 ( 3.760 0.000 0.000) 3.760 1.952 ( 21.837 0.000 0.000) 21.837 2.034 ( -3.726 0.000 0.000) 3.726 2.066 ( -10.074 0.000 0.000) 10.074 2.271 ( -4.463 0.000 0.000) 4.463 2.381 ( -6.813 0.000 0.000) 6.813 2.465 ( 2.258 0.000 0.000) 2.258 2.478 ( 4.599 0.000 0.000) 4.599 2.533 ( 7.074 0.000 0.000) 7.074 2.597 ( -5.521 0.000 0.000) 5.521 2.767 ( 4.329 0.000 0.000) 4.329 2.835 ( -2.026 0.000 0.000) 2.026 2.920 ( -0.587 0.000 0.000) 0.587 3.030 ( 8.073 0.000 0.000) 8.073 3.092 ( 4.308 0.000 0.000) 4.308 3.151 ( -7.753 0.000 0.000) 7.753 3.375 ( -2.420 0.000 0.000) 2.420 3.513 ( -5.652 0.000 0.000) 5.652 3.526 ( -3.982 0.000 0.000) 3.982 3.988 ( -1.885 0.000 0.000) 1.885 4.038 ( 11.127 0.000 0.000) 11.127 4.293 ( 6.932 0.000 0.000) 6.932 4.332 ( -14.579 0.000 0.000) 14.579 4.342 ( -8.083 0.000 0.000) 8.083 4.633 ( -1.976 0.000 0.000) 1.976 4.809 ( 1.383 0.000 0.000) 1.383 5.032 ( 6.235 0.000 0.000) 6.235 5.098 ( 7.466 0.000 0.000) 7.466 5.198 ( -14.930 0.000 0.000) 14.930 5.491 ( -6.130 0.000 0.000) 6.130 5.607 ( -10.487 0.000 0.000) 10.487 5.712 ( 5.899 0.000 0.000) 5.899 5.935 ( -2.698 0.000 0.000) 2.698 6.041 ( 9.944 0.000 0.000) 9.944 6.314 ( 0.913 0.000 0.000) 0.913 6.397 ( -1.061 0.000 0.000) 1.061 6.595 ( -3.316 0.000 0.000) 3.316 6.968 ( 0.622 0.000 0.000) 0.622 7.040 ( -0.997 0.000 0.000) 0.997 7.241 ( 1.805 0.000 0.000) 1.805 7.301 ( 1.921 0.000 0.000) 1.921 7.511 ( 0.763 0.000 0.000) 0.763 7.570 ( -0.533 0.000 0.000) 0.533 7.853 ( 5.780 0.000 0.000) 5.780 8.110 ( 8.073 0.000 0.000) 8.073 8.180 ( 22.413 0.000 0.000) 22.413 8.350 ( 0.928 0.000 0.000) 0.928 8.355 ( 1.001 0.000 0.000) 1.001 8.850 ( 3.126 0.000 0.000) 3.126 9.087 ( -0.272 0.000 0.000) 0.272 9.223 ( 0.287 0.000 0.000) 0.287 9.341 ( -2.189 0.000 0.000) 2.189 9.368 ( -12.942 0.000 0.000) 12.942 9.581 ( -9.767 0.000 0.000) 9.767 9.926 ( -19.693 0.000 0.000) 19.693 10.059 ( 0.898 0.000 0.000) 0.898 10.114 ( -0.371 0.000 0.000) 0.371 10.818 ( -0.029 0.000 0.000) 0.029 10.863 ( 2.837 0.000 0.000) 2.837 11.686 ( 10.624 0.000 0.000) 10.624 11.986 ( -3.325 0.000 0.000) 3.325 12.032 ( -0.604 0.000 0.000) 0.604 12.091 ( -3.860 0.000 0.000) 3.860 12.613 ( 4.393 0.000 0.000) 4.393 13.019 ( -9.148 0.000 0.000) 9.148 13.155 ( 0.154 0.000 0.000) 0.154 13.169 ( -0.085 0.000 0.000) 0.085 13.279 ( 0.210 0.000 0.000) 0.210 13.284 ( 0.230 0.000 0.000) 0.230 13.298 ( -0.224 0.000 0.000) 0.224 13.303 ( -0.208 0.000 0.000) 0.208 14.712 ( 13.278 0.000 0.000) 13.278 15.261 ( -1.588 0.000 0.000) 1.588 15.721 ( 2.471 0.000 0.000) 2.471 15.865 ( -1.192 0.000 0.000) 1.192 16.729 ( -0.732 0.000 0.000) 0.732 16.855 ( -1.382 0.000 0.000) 1.382 17.024 ( 2.737 0.000 0.000) 2.737 17.220 ( -5.155 0.000 0.000) 5.155======================= Grid point 2 (3/72) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 21.973 0.000 0.000) 21.973 1.086 ( 25.385 0.000 0.000) 25.385 1.357 ( 4.538 0.000 0.000) 4.538 1.512 ( 9.833 0.000 0.000) 9.833 1.560 ( -21.377 0.000 0.000) 21.377 1.911 ( -11.169 0.000 0.000) 11.169 2.033 ( 4.418 0.000 0.000) 4.418 2.034 ( 2.672 0.000 0.000) 2.672 2.183 ( -3.044 0.000 0.000) 3.044 2.236 ( -6.863 0.000 0.000) 6.863 2.277 ( 7.153 0.000 0.000) 7.153 2.505 ( 1.649 0.000 0.000) 1.649 2.517 ( -20.225 0.000 0.000) 20.225 2.522 ( 0.259 0.000 0.000) 0.259 2.724 ( 18.126 0.000 0.000) 18.126 2.729 ( 11.244 0.000 0.000) 11.244 2.846 ( 3.324 0.000 0.000) 3.324 2.897 ( -1.790 0.000 0.000) 1.790 3.008 ( -7.515 0.000 0.000) 7.515 3.127 ( -7.224 0.000 0.000) 7.224 3.199 ( 5.718 0.000 0.000) 5.718 3.304 ( -4.551 0.000 0.000) 4.551 3.466 ( 7.103 0.000 0.000) 7.103 3.593 ( 7.953 0.000 0.000) 7.953 3.811 ( -12.402 0.000 0.000) 12.402 3.962 ( -18.400 0.000 0.000) 18.400 4.303 ( 7.530 0.000 0.000) 7.530 4.340 ( 15.613 0.000 0.000) 15.613 4.522 ( -8.016 0.000 0.000) 8.016 4.522 ( 10.513 0.000 0.000) 10.513 4.712 ( -10.321 0.000 0.000) 10.321 4.838 ( -16.292 0.000 0.000) 16.292 5.187 ( 5.513 0.000 0.000) 5.513 5.217 ( 2.879 0.000 0.000) 2.879 5.431 ( -1.582 0.000 0.000) 1.582 5.436 ( -3.755 0.000 0.000) 3.755 5.832 ( 5.457 0.000 0.000) 5.457 5.908 ( -1.851 0.000 0.000) 1.851 6.214 ( 8.431 0.000 0.000) 8.431 6.338 ( 1.475 0.000 0.000) 1.475 6.370 ( -1.560 0.000 0.000) 1.560 6.415 ( -11.462 0.000 0.000) 11.462 6.987 ( 1.204 0.000 0.000) 1.204 7.014 ( -1.439 0.000 0.000) 1.439 7.334 ( 4.405 0.000 0.000) 4.405 7.354 ( 2.089 0.000 0.000) 2.089 7.531 ( 1.167 0.000 0.000) 1.167 7.554 ( -1.024 0.000 0.000) 1.024 8.021 ( 9.579 0.000 0.000) 9.579 8.172 ( -3.331 0.000 0.000) 3.331 8.369 ( 0.751 0.000 0.000) 0.751 8.372 ( 0.457 0.000 0.000) 0.457 8.691 ( 25.961 0.000 0.000) 25.961 9.003 ( 12.288 0.000 0.000) 12.288 9.090 ( -14.215 0.000 0.000) 14.215 9.119 ( 4.716 0.000 0.000) 4.716 9.241 ( 1.618 0.000 0.000) 1.618 9.287 ( -2.805 0.000 0.000) 2.805 9.323 ( -14.342 0.000 0.000) 14.342 9.451 ( -24.040 0.000 0.000) 24.040 10.081 ( 1.166 0.000 0.000) 1.166 10.101 ( -0.849 0.000 0.000) 0.849 10.840 ( 2.416 0.000 0.000) 2.416 10.890 ( -1.203 0.000 0.000) 1.203 11.870 ( 6.666 0.000 0.000) 6.666 11.960 ( 1.818 0.000 0.000) 1.818 11.986 ( -5.556 0.000 0.000) 5.556 12.013 ( -2.149 0.000 0.000) 2.149 12.718 ( 5.743 0.000 0.000) 5.743 12.847 ( -7.431 0.000 0.000) 7.431 13.159 ( 0.250 0.000 0.000) 0.250 13.164 ( -0.282 0.000 0.000) 0.282 13.284 ( 0.346 0.000 0.000) 0.346 13.290 ( 0.361 0.000 0.000) 0.361 13.292 ( -0.354 0.000 0.000) 0.354 13.298 ( -0.348 0.000 0.000) 0.348 14.991 ( 12.823 0.000 0.000) 12.823 15.187 ( -6.436 0.000 0.000) 6.436 15.779 ( 2.962 0.000 0.000) 2.962 15.831 ( -2.191 0.000 0.000) 2.191 16.738 ( 1.938 0.000 0.000) 1.938 16.802 ( -3.720 0.000 0.000) 3.720 17.075 ( 2.192 0.000 0.000) 2.192 17.125 ( -3.461 0.000 0.000) 3.461======================= Grid point 5 (4/72) =======================q-point: ( 0.00 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( 0.000 27.338 0.000) 27.338 0.617 ( 0.000 30.164 0.000) 30.164 1.148 ( 0.000 56.741 0.000) 56.741 1.701 ( 0.000 4.630 0.000) 4.630 1.702 ( 0.000 3.191 0.000) 3.191 2.058 ( 0.000 14.358 0.000) 14.358 2.068 ( 0.000 -0.205 0.000) 0.205 2.094 ( 0.000 19.100 0.000) 19.100 2.363 ( 0.000 5.082 0.000) 5.082 2.420 ( 0.000 0.177 0.000) 0.177 2.511 ( 0.000 12.217 0.000) 12.217 2.563 ( 0.000 8.451 0.000) 8.451 2.580 ( 0.000 15.742 0.000) 15.742 2.617 ( 0.000 11.621 0.000) 11.621 2.717 ( 0.000 9.217 0.000) 9.217 2.724 ( 0.000 2.144 0.000) 2.144 2.820 ( 0.000 -0.892 0.000) 0.892 2.892 ( 0.000 14.996 0.000) 14.996 3.092 ( 0.000 13.697 0.000) 13.697 3.247 ( 0.000 12.865 0.000) 12.865 3.270 ( 0.000 -0.830 0.000) 0.830 3.559 ( 0.000 14.713 0.000) 14.713 3.606 ( 0.000 0.885 0.000) 0.885 3.660 ( 0.000 9.525 0.000) 9.525 3.973 ( 0.000 5.153 0.000) 5.153 4.000 ( 0.000 8.358 0.000) 8.358 4.176 ( 0.000 -0.133 0.000) 0.133 4.312 ( 0.000 2.706 0.000) 2.706 4.450 ( 0.000 -3.369 0.000) 3.369 4.510 ( 0.000 -0.781 0.000) 0.781 4.613 ( 0.000 -1.917 0.000) 1.917 4.933 ( 0.000 -2.733 0.000) 2.733 5.006 ( 0.000 0.347 0.000) 0.347 5.372 ( 0.000 2.414 0.000) 2.414 5.569 ( 0.000 -9.908 0.000) 9.908 5.595 ( 0.000 -2.612 0.000) 2.612 5.714 ( 0.000 -7.748 0.000) 7.748 5.722 ( 0.000 0.731 0.000) 0.731 5.959 ( 0.000 -3.944 0.000) 3.944 6.408 ( 0.000 -12.112 0.000) 12.112 6.702 ( 0.000 21.353 0.000) 21.353 6.751 ( 0.000 -7.304 0.000) 7.304 7.018 ( 0.000 -1.533 0.000) 1.533 7.129 ( 0.000 1.501 0.000) 1.501 7.364 ( 0.000 23.945 0.000) 23.945 7.435 ( 0.000 18.175 0.000) 18.175 7.445 ( 0.000 16.820 0.000) 16.820 7.596 ( 0.000 2.806 0.000) 2.806 7.821 ( 0.000 -0.631 0.000) 0.631 7.899 ( 0.000 0.854 0.000) 0.854 8.007 ( 0.000 -1.773 0.000) 1.773 8.423 ( 0.000 6.458 0.000) 6.458 8.484 ( 0.000 13.523 0.000) 13.523 8.767 ( 0.000 -5.302 0.000) 5.302 8.888 ( 0.000 -10.398 0.000) 10.398 9.315 ( 0.000 5.367 0.000) 5.367 9.479 ( 0.000 15.445 0.000) 15.445 9.527 ( 0.000 1.150 0.000) 1.150 9.627 ( 0.000 -5.488 0.000) 5.488 9.928 ( 0.000 -10.777 0.000) 10.777 10.090 ( 0.000 -4.397 0.000) 4.397 10.158 ( 0.000 3.539 0.000) 3.539 10.810 ( 0.000 -1.022 0.000) 1.022 11.497 ( 0.000 -5.145 0.000) 5.145 11.697 ( 0.000 -14.489 0.000) 14.489 12.045 ( 0.000 0.226 0.000) 0.226 12.107 ( 0.000 -2.444 0.000) 2.444 12.379 ( 0.000 18.176 0.000) 18.176 12.417 ( 0.000 -15.956 0.000) 15.956 12.597 ( 0.000 2.270 0.000) 2.270 12.781 ( 0.000 -16.660 0.000) 16.660 12.959 ( 0.000 -14.124 0.000) 14.124 13.067 ( 0.000 -7.288 0.000) 7.288 13.139 ( 0.000 -12.512 0.000) 12.512 13.318 ( 0.000 -1.017 0.000) 1.017 13.350 ( 0.000 -5.129 0.000) 5.129 14.912 ( 0.000 20.882 0.000) 20.882 15.366 ( 0.000 8.390 0.000) 8.390 15.732 ( 0.000 3.401 0.000) 3.401 16.449 ( 0.000 -2.830 0.000) 2.830 16.551 ( 0.000 -6.318 0.000) 6.318 16.777 ( 0.000 -8.738 0.000) 8.738 16.906 ( 0.000 -8.073 0.000) 8.073 17.155 ( 0.000 -11.948 0.000) 11.948======================= Grid point 6 (5/72) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.544 ( 11.560 17.886 0.000) 21.297 0.807 ( 16.034 22.306 0.000) 27.471 1.429 ( 19.663 45.073 0.000) 49.175 1.670 ( 1.376 -1.751 0.000) 2.227 1.954 ( -13.241 4.073 0.000) 13.854 1.957 ( 16.092 3.921 0.000) 16.562 2.086 ( 3.049 13.485 0.000) 13.825 2.142 ( 2.353 16.724 0.000) 16.889 2.197 ( -5.456 6.633 0.000) 8.589 2.447 ( 1.808 -1.730 0.000) 2.503 2.461 ( -5.896 16.379 0.000) 17.408 2.498 ( -7.082 11.067 0.000) 13.139 2.537 ( -0.735 3.801 0.000) 3.871 2.655 ( 7.826 12.635 0.000) 14.863 2.686 ( -3.330 10.814 0.000) 11.315 2.783 ( 1.467 0.520 0.000) 1.556 2.958 ( 0.157 13.622 0.000) 13.622 3.010 ( 10.368 0.435 0.000) 10.377 3.080 ( -0.642 14.142 0.000) 14.156 3.157 ( -1.030 5.874 0.000) 5.964 3.315 ( 2.984 11.065 0.000) 11.460 3.492 ( -5.341 5.927 0.000) 7.978 3.564 ( -8.306 8.896 0.000) 12.170 3.575 ( -1.593 10.268 0.000) 10.391 3.980 ( -2.439 0.838 0.000) 2.579 4.085 ( 8.059 5.591 0.000) 9.808 4.244 ( 3.069 -2.842 0.000) 4.183 4.294 ( -14.263 -3.439 0.000) 14.672 4.352 ( 0.623 2.190 0.000) 2.277 4.585 ( 8.433 -6.156 0.000) 10.440 4.605 ( -2.168 -2.641 0.000) 3.417 5.010 ( 6.409 -2.301 0.000) 6.809 5.090 ( 6.467 -0.699 0.000) 6.505 5.196 ( -16.771 -0.553 0.000) 16.780 5.405 ( -2.730 -4.843 0.000) 5.560 5.596 ( -11.095 -0.965 0.000) 11.137 5.689 ( 5.675 -2.163 0.000) 6.073 5.915 ( -1.712 -1.718 0.000) 2.426 5.939 ( 12.373 -7.116 0.000) 14.273 6.404 ( -1.560 -8.640 0.000) 8.779 6.693 ( -0.636 22.349 0.000) 22.358 6.834 ( 1.837 15.407 0.000) 15.517 7.072 ( 4.075 1.025 0.000) 4.202 7.101 ( -1.409 1.403 0.000) 1.988 7.282 ( -5.202 8.480 0.000) 9.949 7.436 ( 3.127 8.179 0.000) 8.757 7.437 ( 0.387 15.972 0.000) 15.976 7.600 ( -0.649 3.272 0.000) 3.336 7.887 ( 5.953 3.326 0.000) 6.819 8.121 ( 7.195 1.035 0.000) 7.269 8.126 ( 20.833 -4.674 0.000) 21.351 8.419 ( -0.304 5.196 0.000) 5.205 8.469 ( -1.254 9.986 0.000) 10.064 8.800 ( 3.968 -5.006 0.000) 6.388 8.932 ( 4.118 -6.152 0.000) 7.403 9.309 ( -1.947 1.428 0.000) 2.414 9.397 ( -10.878 3.797 0.000) 11.522 9.457 ( -1.738 14.385 0.000) 14.490 9.542 ( -8.667 -3.811 0.000) 9.467 9.921 ( 0.058 -11.597 0.000) 11.597 9.942 ( -15.605 -1.172 0.000) 15.649 10.079 ( -5.029 0.089 0.000) 5.030 10.839 ( 2.853 1.295 0.000) 3.133 11.271 ( -17.573 13.303 0.000) 22.041 11.672 ( 9.593 -2.059 0.000) 9.812 12.037 ( -1.089 -0.959 0.000) 1.451 12.062 ( -6.188 6.581 0.000) 9.033 12.074 ( -2.815 -0.628 0.000) 2.884 12.606 ( 0.739 -1.618 0.000) 1.779 12.724 ( 2.117 -24.857 0.000) 24.947 12.831 ( -3.883 -13.834 0.000) 14.369 12.923 ( -2.832 -15.915 0.000) 16.165 13.075 ( 7.360 -11.307 0.000) 13.491 13.175 ( 2.407 -9.696 0.000) 9.991 13.328 ( 1.226 -1.288 0.000) 1.778 13.406 ( 2.567 -1.990 0.000) 3.248 14.976 ( 6.755 19.223 0.000) 20.376 15.355 ( -1.328 8.526 0.000) 8.629 15.766 ( 3.151 3.944 0.000) 5.048 16.131 ( -13.704 12.120 0.000) 18.295 16.632 ( 0.785 -8.694 0.000) 8.729 16.765 ( -1.441 -8.771 0.000) 8.889 16.936 ( 2.761 -8.285 0.000) 8.733 17.104 ( -4.267 -11.052 0.000) 11.848======================= Grid point 7 (6/72) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( 26.930 1.126 0.000) 26.954 1.156 ( 16.787 13.899 0.000) 21.795 1.515 ( -13.456 7.211 0.000) 15.266 1.555 ( -23.445 0.714 0.000) 23.456 1.849 ( 21.078 28.449 0.000) 35.406 2.146 ( -5.221 19.522 0.000) 20.209 2.170 ( 4.328 11.826 0.000) 12.593 2.184 ( 1.975 12.285 0.000) 12.442 2.251 ( 5.613 1.980 0.000) 5.952 2.328 ( -6.525 7.024 0.000) 9.587 2.380 ( -0.806 16.983 0.000) 17.002 2.510 ( -2.870 -0.942 0.000) 3.021 2.588 ( -9.753 8.656 0.000) 13.040 2.616 ( -2.389 9.085 0.000) 9.394 2.730 ( 20.425 1.976 0.000) 20.520 2.820 ( 8.182 12.050 0.000) 14.565 2.994 ( 4.857 11.295 0.000) 12.295 3.017 ( -4.928 9.382 0.000) 10.597 3.078 ( -3.251 9.788 0.000) 10.313 3.182 ( -10.642 6.635 0.000) 12.541 3.387 ( 1.996 16.251 0.000) 16.373 3.444 ( -1.709 9.782 0.000) 9.930 3.451 ( 7.450 -0.289 0.000) 7.455 3.586 ( 2.811 3.044 0.000) 4.143 3.814 ( -9.663 0.944 0.000) 9.709 3.937 ( -16.309 -1.317 0.000) 16.362 4.307 ( 7.367 0.649 0.000) 7.396 4.329 ( 12.682 0.505 0.000) 12.692 4.490 ( 5.702 -1.551 0.000) 5.909 4.499 ( -7.902 -1.946 0.000) 8.138 4.638 ( -0.799 -3.280 0.000) 3.376 4.831 ( -15.654 -0.411 0.000) 15.660 5.164 ( 4.983 -2.538 0.000) 5.593 5.192 ( 2.334 -2.546 0.000) 3.454 5.385 ( -0.100 -1.860 0.000) 1.862 5.415 ( -4.611 -0.546 0.000) 4.643 5.800 ( 5.113 -2.790 0.000) 5.825 5.881 ( -2.635 -2.349 0.000) 3.530 6.157 ( 9.698 -4.570 0.000) 10.721 6.327 ( -6.544 -5.989 0.000) 8.871 6.690 ( 0.753 25.286 0.000) 25.297 6.748 ( -5.540 29.374 0.000) 29.892 7.096 ( 0.702 4.136 0.000) 4.195 7.113 ( -0.487 6.960 0.000) 6.977 7.333 ( 6.808 -0.014 0.000) 6.808 7.429 ( -2.142 8.423 0.000) 8.691 7.512 ( 3.724 2.378 0.000) 4.418 7.571 ( -2.118 2.973 0.000) 3.651 8.034 ( 8.081 0.977 0.000) 8.140 8.167 ( -3.435 -0.157 0.000) 3.439 8.416 ( 0.186 3.542 0.000) 3.547 8.428 ( -0.530 4.085 0.000) 4.119 8.646 ( 26.405 -3.699 0.000) 26.663 8.960 ( 10.973 -4.356 0.000) 11.806 9.040 ( 6.021 -0.272 0.000) 6.028 9.119 ( -16.132 1.572 0.000) 16.208 9.232 ( -6.904 1.499 0.000) 7.065 9.296 ( -13.886 -1.596 0.000) 13.977 9.444 ( 1.163 11.938 0.000) 11.994 9.581 ( -14.731 7.593 0.000) 16.573 9.944 ( 2.072 -10.303 0.000) 10.509 9.997 ( -3.252 -6.414 0.000) 7.192 10.926 ( 5.815 5.903 0.000) 8.286 11.059 ( -7.179 10.707 0.000) 12.891 11.851 ( 6.878 -1.770 0.000) 7.102 11.967 ( -5.271 -2.375 0.000) 5.781 12.006 ( 0.457 3.613 0.000) 3.642 12.036 ( -1.424 2.390 0.000) 2.782 12.623 ( 1.127 -10.296 0.000) 10.357 12.671 ( -4.177 -17.633 0.000) 18.121 12.811 ( 2.203 -17.764 0.000) 17.900 12.864 ( -2.892 -17.225 0.000) 17.466 13.182 ( 2.672 -9.493 0.000) 9.862 13.203 ( 0.234 -7.866 0.000) 7.870 13.371 ( 2.763 -0.683 0.000) 2.847 13.417 ( -1.291 0.048 0.000) 1.292 15.149 ( 9.096 13.333 0.000) 16.140 15.296 ( -5.061 9.690 0.000) 10.932 15.845 ( 4.540 5.533 0.000) 7.157 15.949 ( -6.169 8.645 0.000) 10.621 16.650 ( 1.910 -8.455 0.000) 8.668 16.711 ( -3.652 -8.756 0.000) 9.487 16.987 ( 2.031 -8.421 0.000) 8.662 17.028 ( -2.649 -9.298 0.000) 9.668======================= Grid point 10 (7/72) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 0.000 25.355 0.000) 25.355 1.189 ( 0.000 26.694 0.000) 26.694 1.805 ( 0.000 7.807 0.000) 7.807 1.850 ( 0.000 9.666 0.000) 9.666 2.075 ( 0.000 0.982 0.000) 0.982 2.257 ( 0.000 52.684 0.000) 52.684 2.370 ( 0.000 0.914 0.000) 0.914 2.399 ( 0.000 17.546 0.000) 17.546 2.424 ( 0.000 2.595 0.000) 2.595 2.585 ( 0.000 20.401 0.000) 20.401 2.676 ( 0.000 6.267 0.000) 6.267 2.761 ( 0.000 10.164 0.000) 10.164 2.792 ( 0.000 -0.982 0.000) 0.982 2.898 ( 0.000 15.328 0.000) 15.328 2.900 ( 0.000 11.095 0.000) 11.095 2.973 ( 0.000 21.492 0.000) 21.492 3.055 ( 0.000 19.666 0.000) 19.666 3.193 ( 0.000 11.800 0.000) 11.800 3.302 ( 0.000 6.476 0.000) 6.476 3.388 ( 0.000 11.988 0.000) 11.988 3.528 ( 0.000 19.803 0.000) 19.803 3.670 ( 0.000 7.007 0.000) 7.007 3.911 ( 0.000 19.128 0.000) 19.128 4.017 ( 0.000 23.626 0.000) 23.626 4.146 ( 0.000 10.769 0.000) 10.769 4.181 ( 0.000 0.705 0.000) 0.705 4.263 ( 0.000 16.904 0.000) 16.904 4.365 ( 0.000 -4.246 0.000) 4.246 4.419 ( 0.000 9.756 0.000) 9.756 4.510 ( 0.000 2.076 0.000) 2.076 4.562 ( 0.000 -3.048 0.000) 3.048 4.877 ( 0.000 -1.713 0.000) 1.713 5.022 ( 0.000 1.619 0.000) 1.619 5.354 ( 0.000 -8.933 0.000) 8.933 5.475 ( 0.000 6.197 0.000) 6.197 5.531 ( 0.000 -3.363 0.000) 3.363 5.595 ( 0.000 -4.673 0.000) 4.673 5.718 ( 0.000 -1.976 0.000) 1.976 5.883 ( 0.000 -3.082 0.000) 3.082 6.182 ( 0.000 -9.338 0.000) 9.338 6.648 ( 0.000 -3.270 0.000) 3.270 6.957 ( 0.000 -3.548 0.000) 3.548 7.024 ( 0.000 8.601 0.000) 8.601 7.086 ( 0.000 -4.460 0.000) 4.460 7.693 ( 0.000 3.416 0.000) 3.416 7.833 ( 0.000 20.090 0.000) 20.090 7.871 ( 0.000 24.963 0.000) 24.963 7.886 ( 0.000 10.997 0.000) 10.997 7.898 ( 0.000 10.521 0.000) 10.521 7.941 ( 0.000 17.232 0.000) 17.232 7.970 ( 0.000 -1.781 0.000) 1.781 8.509 ( 0.000 0.868 0.000) 0.868 8.649 ( 0.000 -5.780 0.000) 5.780 8.735 ( 0.000 -4.798 0.000) 4.798 8.844 ( 0.000 21.136 0.000) 21.136 9.430 ( 0.000 5.473 0.000) 5.473 9.480 ( 0.000 -8.308 0.000) 8.308 9.618 ( 0.000 8.347 0.000) 8.347 9.691 ( 0.000 -11.349 0.000) 11.349 9.769 ( 0.000 12.967 0.000) 12.967 9.963 ( 0.000 -8.123 0.000) 8.123 10.230 ( 0.000 3.012 0.000) 3.012 10.798 ( 0.000 0.390 0.000) 0.390 11.341 ( 0.000 -10.163 0.000) 10.163 11.441 ( 0.000 -11.517 0.000) 11.517 11.965 ( 0.000 -21.196 0.000) 21.196 12.024 ( 0.000 -2.736 0.000) 2.736 12.036 ( 0.000 -4.503 0.000) 4.503 12.594 ( 0.000 -4.300 0.000) 4.300 12.619 ( 0.000 -6.332 0.000) 6.332 12.663 ( 0.000 -14.796 0.000) 14.796 12.727 ( 0.000 15.555 0.000) 15.555 12.851 ( 0.000 -14.133 0.000) 14.133 12.879 ( 0.000 -10.037 0.000) 10.037 13.155 ( 0.000 -11.418 0.000) 11.418 13.207 ( 0.000 -9.760 0.000) 9.760 15.288 ( 0.000 14.712 0.000) 14.712 15.565 ( 0.000 10.623 0.000) 10.623 15.800 ( 0.000 2.326 0.000) 2.326 16.363 ( 0.000 -5.898 0.000) 5.898 16.375 ( 0.000 -10.905 0.000) 10.905 16.532 ( 0.000 -15.340 0.000) 15.340 16.684 ( 0.000 -13.445 0.000) 13.445 16.854 ( 0.000 -16.359 0.000) 16.359======================= Grid point 11 (8/72) =======================q-point: ( 0.20 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( -2.244 25.434 0.000) 25.532 1.285 ( 8.850 23.853 0.000) 25.442 1.727 ( 1.692 6.627 0.000) 6.840 2.039 ( 7.074 10.580 0.000) 12.727 2.044 ( -11.379 5.691 0.000) 12.723 2.226 ( -3.121 -1.307 0.000) 3.383 2.341 ( 1.842 22.578 0.000) 22.653 2.472 ( 4.619 3.171 0.000) 5.603 2.475 ( 13.001 36.494 0.000) 38.740 2.555 ( -4.093 16.611 0.000) 17.108 2.611 ( -1.511 7.283 0.000) 7.438 2.750 ( -4.814 10.505 0.000) 11.555 2.815 ( -2.248 10.525 0.000) 10.762 2.839 ( 1.812 11.424 0.000) 11.566 2.954 ( -2.539 18.599 0.000) 18.772 2.989 ( 5.128 17.427 0.000) 18.166 3.121 ( 7.396 11.071 0.000) 13.314 3.207 ( -1.312 6.120 0.000) 6.259 3.374 ( 7.526 14.829 0.000) 16.629 3.383 ( -0.568 12.726 0.000) 12.739 3.518 ( -0.599 17.080 0.000) 17.090 3.604 ( -4.672 9.080 0.000) 10.212 3.906 ( -1.602 18.544 0.000) 18.613 3.941 ( -7.916 23.756 0.000) 25.040 4.041 ( -9.143 3.800 0.000) 9.902 4.220 ( -12.454 -1.403 0.000) 12.533 4.231 ( 4.498 1.871 0.000) 4.872 4.298 ( 3.803 14.448 0.000) 14.941 4.471 ( 4.168 11.258 0.000) 12.005 4.541 ( -2.200 -3.303 0.000) 3.968 4.565 ( 4.675 3.769 0.000) 6.006 4.941 ( 3.692 -4.074 0.000) 5.498 5.074 ( 3.932 -0.587 0.000) 3.976 5.165 ( -11.691 -1.655 0.000) 11.808 5.397 ( -1.344 3.784 0.000) 4.015 5.578 ( -9.847 -0.563 0.000) 9.863 5.641 ( 5.080 -1.974 0.000) 5.450 5.799 ( 13.555 -7.029 0.000) 15.269 5.875 ( -1.445 -2.403 0.000) 2.804 6.215 ( 1.166 -9.198 0.000) 9.272 6.857 ( 17.687 -5.015 0.000) 18.384 7.030 ( 6.515 -2.207 0.000) 6.879 7.033 ( 1.679 4.505 0.000) 4.808 7.117 ( 2.581 5.761 0.000) 6.313 7.564 ( -15.526 14.008 0.000) 20.911 7.652 ( -4.224 2.859 0.000) 5.101 7.834 ( -3.149 24.037 0.000) 24.243 7.887 ( -1.675 18.516 0.000) 18.591 7.955 ( 2.419 5.728 0.000) 6.218 8.094 ( 18.699 6.084 0.000) 19.664 8.167 ( 7.143 3.815 0.000) 8.098 8.484 ( -1.892 0.160 0.000) 1.899 8.626 ( -6.079 2.839 0.000) 6.709 8.688 ( 5.212 -4.727 0.000) 7.036 8.985 ( 9.292 13.160 0.000) 16.109 9.375 ( -6.150 4.176 0.000) 7.434 9.438 ( -5.268 -6.069 0.000) 8.036 9.548 ( -6.155 11.003 0.000) 12.607 9.637 ( -3.517 -5.435 0.000) 6.474 9.775 ( 0.669 6.984 0.000) 7.016 9.860 ( -9.814 -6.623 0.000) 11.840 10.110 ( -9.434 1.860 0.000) 9.616 10.858 ( 5.683 0.989 0.000) 5.768 11.296 ( -5.330 -5.713 0.000) 7.814 11.569 ( 12.341 -8.299 0.000) 14.872 11.969 ( -3.171 -4.860 0.000) 5.803 11.970 ( 0.446 -14.584 0.000) 14.591 12.069 ( 1.086 -1.226 0.000) 1.638 12.466 ( -8.755 -13.275 0.000) 15.902 12.505 ( -6.671 -0.549 0.000) 6.694 12.650 ( -12.510 -7.231 0.000) 14.449 12.664 ( -1.447 -8.778 0.000) 8.896 12.882 ( 7.124 -4.808 0.000) 8.594 12.943 ( 6.310 -12.217 0.000) 13.750 13.200 ( -0.114 -10.896 0.000) 10.896 13.259 ( 4.837 -10.124 0.000) 11.221 15.325 ( 3.613 14.082 0.000) 14.538 15.555 ( -1.102 10.432 0.000) 10.490 15.842 ( 3.908 2.556 0.000) 4.669 16.222 ( -8.094 -1.867 0.000) 8.306 16.419 ( 0.128 -11.763 0.000) 11.764 16.521 ( -1.347 -15.157 0.000) 15.217 16.716 ( 2.792 -12.994 0.000) 13.290 16.824 ( -2.372 -15.306 0.000) 15.488======================= Grid point 12 (9/72) =======================q-point: ( 0.40 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 17.511 14.469 0.000) 22.715 1.502 ( 11.623 18.485 0.000) 21.836 1.619 ( -24.768 6.343 0.000) 25.567 1.704 ( -6.677 11.244 0.000) 13.078 2.199 ( 10.208 7.090 0.000) 12.428 2.335 ( 7.464 2.642 0.000) 7.917 2.387 ( 3.825 12.615 0.000) 13.182 2.393 ( -6.820 3.129 0.000) 7.504 2.514 ( -4.422 12.534 0.000) 13.291 2.552 ( -7.523 13.239 0.000) 15.227 2.671 ( 6.103 17.262 0.000) 18.309 2.764 ( 2.736 14.434 0.000) 14.691 2.826 ( -6.676 15.691 0.000) 17.052 2.856 ( -4.231 15.894 0.000) 16.447 2.960 ( 21.241 26.288 0.000) 33.797 3.100 ( 7.524 11.246 0.000) 13.531 3.232 ( 0.226 10.798 0.000) 10.801 3.245 ( 5.110 11.758 0.000) 12.821 3.347 ( -3.735 13.763 0.000) 14.261 3.378 ( -11.082 15.008 0.000) 18.656 3.575 ( 2.906 8.902 0.000) 9.364 3.582 ( 5.920 15.421 0.000) 16.519 3.721 ( -9.418 14.008 0.000) 16.880 3.769 ( -9.877 7.021 0.000) 12.118 3.924 ( -1.413 12.751 0.000) 12.829 3.988 ( -8.305 8.526 0.000) 11.902 4.341 ( 6.156 2.633 0.000) 6.695 4.420 ( 6.704 7.148 0.000) 9.800 4.469 ( -3.986 2.163 0.000) 4.535 4.551 ( -0.842 9.247 0.000) 9.285 4.638 ( 5.792 4.211 0.000) 7.161 4.832 ( -11.444 0.786 0.000) 11.471 5.104 ( 2.258 -1.933 0.000) 2.972 5.124 ( 0.521 -3.434 0.000) 3.473 5.407 ( 1.513 3.838 0.000) 4.125 5.442 ( -2.986 3.337 0.000) 4.478 5.734 ( 4.379 -3.345 0.000) 5.510 5.820 ( -3.871 -3.637 0.000) 5.311 6.042 ( 10.107 -7.270 0.000) 12.450 6.188 ( -4.232 -8.027 0.000) 9.074 7.103 ( 5.100 4.601 0.000) 6.869 7.129 ( 4.673 -2.763 0.000) 5.429 7.172 ( 2.476 12.435 0.000) 12.679 7.249 ( 14.743 6.354 0.000) 16.054 7.295 ( -9.325 10.182 0.000) 13.807 7.516 ( -9.664 1.481 0.000) 9.777 7.786 ( -0.477 19.598 0.000) 19.604 7.827 ( -3.653 17.794 0.000) 18.165 8.040 ( 5.856 0.400 0.000) 5.870 8.166 ( -5.362 0.013 0.000) 5.362 8.463 ( 0.000 0.635 0.000) 0.635 8.465 ( 4.598 -0.341 0.000) 4.611 8.626 ( 17.685 3.058 0.000) 17.948 8.869 ( 9.130 -3.086 0.000) 9.637 9.138 ( 0.807 5.935 0.000) 5.990 9.143 ( -15.630 1.839 0.000) 15.737 9.288 ( -3.482 4.653 0.000) 5.812 9.401 ( -8.074 13.301 0.000) 15.560 9.603 ( 0.233 0.637 0.000) 0.679 9.664 ( -6.794 -0.239 0.000) 6.798 9.815 ( 3.777 0.799 0.000) 3.860 9.930 ( -7.636 -0.133 0.000) 7.637 11.008 ( 8.685 2.038 0.000) 8.921 11.174 ( -7.145 0.433 0.000) 7.158 11.805 ( 8.741 -3.108 0.000) 9.277 11.907 ( -3.157 -3.189 0.000) 4.487 11.999 ( 3.279 -6.607 0.000) 7.375 12.069 ( -1.605 -0.095 0.000) 1.608 12.308 ( -5.458 -17.791 0.000) 18.610 12.326 ( -7.442 -11.878 0.000) 14.016 12.557 ( 1.163 -9.532 0.000) 9.602 12.612 ( -3.355 -9.952 0.000) 10.502 12.988 ( 3.371 -8.403 0.000) 9.054 13.019 ( 0.612 -9.301 0.000) 9.321 13.233 ( 3.427 -12.089 0.000) 12.565 13.292 ( -1.303 -10.602 0.000) 10.682 15.421 ( 5.312 12.208 0.000) 13.314 15.512 ( -3.374 10.697 0.000) 11.216 15.942 ( 5.743 2.724 0.000) 6.356 16.069 ( -7.000 1.996 0.000) 7.279 16.425 ( 1.256 -13.214 0.000) 13.274 16.473 ( -3.058 -14.376 0.000) 14.698 16.765 ( 1.639 -12.848 0.000) 12.952 16.787 ( -1.091 -13.572 0.000) 13.616======================= Grid point 15 (10/72) =======================q-point: ( 0.00 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( 0.000 20.588 0.000) 20.588 1.656 ( 0.000 18.980 0.000) 18.980 1.997 ( 0.000 11.268 0.000) 11.268 2.058 ( 0.000 10.826 0.000) 10.826 2.126 ( 0.000 5.048 0.000) 5.048 2.365 ( 0.000 -0.232 0.000) 0.232 2.513 ( 0.000 6.502 0.000) 6.502 2.657 ( 0.000 7.919 0.000) 7.919 2.738 ( 0.000 -1.812 0.000) 1.812 2.821 ( 0.000 0.260 0.000) 0.260 2.886 ( 0.000 5.661 0.000) 5.661 2.905 ( 0.000 15.955 0.000) 15.955 3.011 ( 0.000 0.976 0.000) 0.976 3.186 ( 0.000 26.826 0.000) 26.826 3.277 ( 0.000 21.504 0.000) 21.504 3.404 ( 0.000 15.009 0.000) 15.009 3.441 ( 0.000 31.137 0.000) 31.137 3.444 ( 0.000 12.555 0.000) 12.555 3.553 ( 0.000 15.678 0.000) 15.678 3.562 ( 0.000 10.527 0.000) 10.527 3.839 ( 0.000 7.287 0.000) 7.287 3.973 ( 0.000 19.003 0.000) 19.003 4.172 ( 0.000 -2.350 0.000) 2.350 4.277 ( 0.000 6.373 0.000) 6.373 4.296 ( 0.000 5.336 0.000) 5.336 4.339 ( 0.000 19.187 0.000) 19.187 4.485 ( 0.000 -3.558 0.000) 3.558 4.553 ( 0.000 24.122 0.000) 24.122 4.573 ( 0.000 10.564 0.000) 10.564 4.677 ( 0.000 15.103 0.000) 15.103 4.712 ( 0.000 14.707 0.000) 14.707 4.941 ( 0.000 8.594 0.000) 8.594 5.121 ( 0.000 11.136 0.000) 11.136 5.195 ( 0.000 -6.049 0.000) 6.049 5.456 ( 0.000 -5.217 0.000) 5.217 5.541 ( 0.000 1.991 0.000) 1.991 5.628 ( 0.000 -6.226 0.000) 6.226 5.655 ( 0.000 11.225 0.000) 11.225 5.849 ( 0.000 -0.185 0.000) 0.185 6.050 ( 0.000 -4.433 0.000) 4.433 6.618 ( 0.000 0.333 0.000) 0.333 6.909 ( 0.000 -0.689 0.000) 0.689 6.981 ( 0.000 -5.275 0.000) 5.275 7.125 ( 0.000 4.342 0.000) 4.342 7.689 ( 0.000 -2.372 0.000) 2.372 7.913 ( 0.000 -0.355 0.000) 0.355 7.915 ( 0.000 -3.356 0.000) 3.356 8.167 ( 0.000 10.243 0.000) 10.243 8.171 ( 0.000 12.190 0.000) 12.190 8.308 ( 0.000 16.577 0.000) 16.577 8.443 ( 0.000 23.317 0.000) 23.317 8.475 ( 0.000 -2.405 0.000) 2.405 8.588 ( 0.000 2.400 0.000) 2.400 8.707 ( 0.000 2.466 0.000) 2.466 9.192 ( 0.000 2.753 0.000) 2.753 9.380 ( 0.000 4.619 0.000) 4.619 9.511 ( 0.000 1.818 0.000) 1.818 9.549 ( 0.000 1.650 0.000) 1.650 9.778 ( 0.000 -9.898 0.000) 9.898 9.827 ( 0.000 11.235 0.000) 11.235 9.970 ( 0.000 6.774 0.000) 6.774 10.266 ( 0.000 0.607 0.000) 0.607 10.843 ( 0.000 4.102 0.000) 4.102 11.100 ( 0.000 -14.177 0.000) 14.177 11.222 ( 0.000 -10.105 0.000) 10.105 11.700 ( 0.000 -5.187 0.000) 5.187 11.928 ( 0.000 -6.316 0.000) 6.316 11.953 ( 0.000 -3.197 0.000) 3.197 12.364 ( 0.000 -15.960 0.000) 15.960 12.368 ( 0.000 -19.489 0.000) 19.489 12.404 ( 0.000 -12.199 0.000) 12.199 12.620 ( 0.000 -10.619 0.000) 10.619 12.649 ( 0.000 -10.067 0.000) 10.067 12.954 ( 0.000 -14.728 0.000) 14.728 13.018 ( 0.000 -1.094 0.000) 1.094 13.037 ( 0.000 13.123 0.000) 13.123 15.482 ( 0.000 5.266 0.000) 5.266 15.767 ( 0.000 -6.834 0.000) 6.834 15.772 ( 0.000 9.953 0.000) 9.953 16.134 ( 0.000 -12.672 0.000) 12.672 16.188 ( 0.000 -18.494 0.000) 18.494 16.196 ( 0.000 -11.528 0.000) 11.528 16.415 ( 0.000 -12.058 0.000) 12.058 16.586 ( 0.000 -8.666 0.000) 8.666======================= Grid point 16 (11/72) =======================q-point: ( 0.20 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -3.952 23.022 0.000) 23.359 1.709 ( 4.766 17.298 0.000) 17.943 1.885 ( -0.025 8.315 0.000) 8.315 2.185 ( 0.161 8.212 0.000) 8.213 2.222 ( -11.317 1.616 0.000) 11.432 2.246 ( 7.924 10.573 0.000) 13.213 2.515 ( 5.039 2.129 0.000) 5.470 2.557 ( -3.700 6.040 0.000) 7.083 2.693 ( -6.907 3.280 0.000) 7.646 2.831 ( -1.421 9.133 0.000) 9.243 2.870 ( 1.479 5.832 0.000) 6.017 2.958 ( 7.345 5.806 0.000) 9.362 3.096 ( -2.771 8.018 0.000) 8.483 3.251 ( 0.500 5.535 0.000) 5.558 3.275 ( 6.012 17.174 0.000) 18.195 3.319 ( -5.126 20.056 0.000) 20.701 3.389 ( -0.121 19.624 0.000) 19.624 3.490 ( 4.613 31.334 0.000) 31.672 3.564 ( -0.095 8.340 0.000) 8.341 3.692 ( 7.294 15.041 0.000) 16.716 3.825 ( -1.470 10.245 0.000) 10.350 3.941 ( -1.436 19.365 0.000) 19.418 4.060 ( -10.063 0.744 0.000) 10.090 4.199 ( -8.986 7.181 0.000) 11.503 4.274 ( 0.979 5.715 0.000) 5.798 4.316 ( -0.566 16.985 0.000) 16.995 4.452 ( -8.225 11.015 0.000) 13.748 4.482 ( -1.803 8.617 0.000) 8.804 4.608 ( 3.095 10.299 0.000) 10.754 4.739 ( 4.129 13.006 0.000) 13.645 4.810 ( 6.861 17.763 0.000) 19.042 4.931 ( -0.458 6.655 0.000) 6.670 5.120 ( -0.150 8.801 0.000) 8.802 5.178 ( 0.042 3.533 0.000) 3.534 5.493 ( -0.301 5.037 0.000) 5.046 5.571 ( -3.759 -0.738 0.000) 3.831 5.629 ( 9.390 -6.072 0.000) 11.183 5.684 ( 2.941 4.143 0.000) 5.081 5.821 ( -2.794 -2.209 0.000) 3.562 6.054 ( -0.453 -6.661 0.000) 6.676 6.773 ( 13.232 -2.567 0.000) 13.479 7.016 ( 10.399 1.037 0.000) 10.451 7.029 ( 4.860 -0.991 0.000) 4.960 7.221 ( 7.619 3.591 0.000) 8.423 7.635 ( -4.505 -3.515 0.000) 5.714 7.752 ( -11.159 4.693 0.000) 12.105 7.913 ( -0.089 -0.651 0.000) 0.657 8.176 ( -6.216 3.105 0.000) 6.949 8.277 ( 9.497 7.391 0.000) 12.034 8.303 ( 1.368 12.812 0.000) 12.884 8.388 ( -4.953 21.784 0.000) 22.340 8.437 ( -1.294 -2.574 0.000) 2.880 8.679 ( -1.622 5.410 0.000) 5.648 8.691 ( 8.632 6.081 0.000) 10.559 9.202 ( -0.381 -2.893 0.000) 2.918 9.423 ( 4.548 8.647 0.000) 9.770 9.451 ( -7.110 3.052 0.000) 7.738 9.542 ( -0.187 3.701 0.000) 3.706 9.687 ( -7.157 -10.418 0.000) 12.639 9.797 ( -3.001 12.784 0.000) 13.132 9.936 ( -3.003 5.883 0.000) 6.605 10.130 ( -10.378 -0.066 0.000) 10.378 10.897 ( 5.088 3.038 0.000) 5.926 11.137 ( 0.227 -9.327 0.000) 9.330 11.359 ( 14.038 -12.041 0.000) 18.495 11.762 ( 5.506 -4.687 0.000) 7.231 11.864 ( -2.758 -5.336 0.000) 6.006 12.016 ( 2.949 -3.514 0.000) 4.587 12.188 ( -10.154 -13.270 0.000) 16.709 12.340 ( -3.698 -19.906 0.000) 20.246 12.455 ( -2.320 -13.564 0.000) 13.761 12.497 ( -12.722 -2.737 0.000) 13.014 12.719 ( 9.441 -10.442 0.000) 14.078 12.893 ( -3.843 -0.456 0.000) 3.870 12.929 ( -2.088 -15.086 0.000) 15.230 13.145 ( 2.002 2.043 0.000) 2.860 15.522 ( 3.666 6.061 0.000) 7.084 15.735 ( -1.566 4.271 0.000) 4.549 15.828 ( 3.546 -1.960 0.000) 4.051 16.066 ( -4.240 -12.800 0.000) 13.484 16.186 ( -0.366 -17.803 0.000) 17.807 16.198 ( -1.405 -10.858 0.000) 10.949 16.460 ( 3.747 -11.309 0.000) 11.914 16.571 ( -1.198 -8.304 0.000) 8.390======================= Grid point 17 (12/72) =======================q-point: ( 0.40 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 6.708 18.479 0.000) 19.659 1.752 ( -10.885 9.726 0.000) 14.597 1.881 ( -2.385 14.710 0.000) 14.902 1.921 ( 0.101 9.321 0.000) 9.322 2.357 ( 4.465 8.964 0.000) 10.015 2.385 ( 9.253 4.157 0.000) 10.144 2.489 ( -2.759 6.520 0.000) 7.080 2.574 ( 5.464 6.715 0.000) 8.657 2.669 ( -11.288 7.164 0.000) 13.370 2.701 ( -1.052 4.630 0.000) 4.748 2.947 ( 3.389 4.713 0.000) 5.805 2.969 ( -2.042 7.549 0.000) 7.820 3.120 ( 5.495 9.377 0.000) 10.869 3.190 ( -5.074 14.165 0.000) 15.046 3.231 ( 0.592 3.105 0.000) 3.161 3.352 ( -4.289 10.297 0.000) 11.155 3.483 ( 6.369 15.294 0.000) 16.567 3.556 ( -0.788 9.273 0.000) 9.307 3.617 ( 6.823 20.438 0.000) 21.547 3.713 ( -3.522 13.099 0.000) 13.564 3.804 ( 1.584 12.540 0.000) 12.639 3.955 ( -8.244 17.242 0.000) 19.112 3.958 ( 3.505 17.357 0.000) 17.708 4.029 ( 1.534 18.783 0.000) 18.846 4.216 ( -5.349 15.755 0.000) 16.638 4.218 ( -10.938 14.112 0.000) 17.855 4.383 ( 4.891 2.049 0.000) 5.303 4.459 ( -2.228 2.070 0.000) 3.041 4.697 ( 5.611 8.727 0.000) 10.375 4.784 ( -1.068 8.210 0.000) 8.280 4.894 ( 1.500 21.261 0.000) 21.314 4.921 ( -1.051 12.966 0.000) 13.008 5.132 ( 1.901 8.026 0.000) 8.248 5.172 ( -1.321 9.965 0.000) 10.052 5.509 ( 1.823 5.314 0.000) 5.618 5.532 ( -0.492 4.526 0.000) 4.553 5.702 ( 1.481 1.848 0.000) 2.369 5.751 ( -3.569 -2.298 0.000) 4.244 5.856 ( 9.522 -11.362 0.000) 14.824 6.003 ( -4.926 -9.993 0.000) 11.141 7.042 ( 11.752 -4.398 0.000) 12.548 7.142 ( 3.867 1.895 0.000) 4.306 7.257 ( 9.061 2.851 0.000) 9.499 7.309 ( -0.639 1.998 0.000) 2.098 7.569 ( -4.630 8.958 0.000) 10.084 7.572 ( -0.924 2.397 0.000) 2.569 7.911 ( 0.716 -3.736 0.000) 3.804 8.006 ( -8.427 -1.622 0.000) 8.582 8.271 ( -2.612 12.653 0.000) 12.920 8.276 ( -3.887 16.610 0.000) 17.059 8.449 ( 3.201 -0.565 0.000) 3.250 8.450 ( 1.264 -1.286 0.000) 1.803 8.755 ( 12.227 8.978 0.000) 15.169 8.882 ( 7.718 4.458 0.000) 8.913 9.138 ( -5.578 -2.950 0.000) 6.310 9.191 ( -15.805 2.542 0.000) 16.008 9.543 ( 4.056 -1.949 0.000) 4.500 9.566 ( 5.077 16.538 0.000) 17.300 9.587 ( -2.646 -5.786 0.000) 6.362 9.705 ( -6.189 15.133 0.000) 16.350 9.888 ( -0.543 3.565 0.000) 3.606 9.947 ( -6.593 0.880 0.000) 6.652 11.021 ( 6.275 -0.337 0.000) 6.284 11.114 ( -2.689 -5.153 0.000) 5.813 11.672 ( 15.370 -10.501 0.000) 18.615 11.852 ( 1.181 -2.474 0.000) 2.742 11.880 ( 4.597 -2.612 0.000) 5.287 11.971 ( -11.045 -11.862 0.000) 16.208 12.051 ( 0.434 -5.236 0.000) 5.254 12.141 ( -11.473 -10.537 0.000) 15.578 12.359 ( -1.664 -9.371 0.000) 9.518 12.378 ( -3.479 -14.025 0.000) 14.450 12.854 ( -0.497 -7.564 0.000) 7.580 12.861 ( -0.016 -8.154 0.000) 8.154 12.949 ( 8.192 -13.209 0.000) 15.543 13.104 ( -5.604 -4.816 0.000) 7.389 15.611 ( 4.727 6.974 0.000) 8.426 15.692 ( -3.027 6.457 0.000) 7.131 15.906 ( 4.159 -6.400 0.000) 7.632 15.987 ( -3.833 -10.520 0.000) 11.196 16.165 ( -0.961 -12.139 0.000) 12.177 16.169 ( -1.014 -15.372 0.000) 15.405 16.525 ( 2.179 -9.823 0.000) 10.062 16.550 ( -0.798 -8.516 0.000) 8.554======================= Grid point 20 (13/72) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 0.000 12.101 0.000) 12.101 1.911 ( 0.000 7.308 0.000) 7.308 2.246 ( 0.000 13.318 0.000) 13.318 2.298 ( 0.000 13.656 0.000) 13.656 2.304 ( 0.000 11.766 0.000) 11.766 2.375 ( 0.000 1.366 0.000) 1.366 2.681 ( 0.000 10.162 0.000) 10.162 2.691 ( 0.000 -2.479 0.000) 2.479 2.752 ( 0.000 -5.216 0.000) 5.216 2.768 ( 0.000 3.743 0.000) 3.743 2.967 ( 0.000 2.316 0.000) 2.316 3.029 ( 0.000 2.132 0.000) 2.132 3.230 ( 0.000 15.835 0.000) 15.835 3.336 ( 0.000 -1.276 0.000) 1.276 3.562 ( 0.000 -2.047 0.000) 2.047 3.630 ( 0.000 11.859 0.000) 11.859 3.664 ( 0.000 10.721 0.000) 10.721 3.796 ( 0.000 6.012 0.000) 6.012 3.808 ( 0.000 8.020 0.000) 8.020 3.898 ( 0.000 6.458 0.000) 6.458 4.072 ( 0.000 4.460 0.000) 4.460 4.209 ( 0.000 10.407 0.000) 10.407 4.326 ( 0.000 34.143 0.000) 34.143 4.335 ( 0.000 2.354 0.000) 2.354 4.417 ( 0.000 -1.631 0.000) 1.631 4.574 ( 0.000 15.290 0.000) 15.290 4.639 ( 0.000 4.862 0.000) 4.862 4.787 ( 0.000 12.237 0.000) 12.237 4.919 ( 0.000 7.471 0.000) 7.471 4.979 ( 0.000 10.550 0.000) 10.550 4.989 ( 0.000 18.025 0.000) 18.025 5.041 ( 0.000 -0.616 0.000) 0.616 5.205 ( 0.000 11.508 0.000) 11.508 5.328 ( 0.000 -6.298 0.000) 6.298 5.472 ( 0.000 19.001 0.000) 19.001 5.540 ( 0.000 -0.849 0.000) 0.849 5.769 ( 0.000 19.398 0.000) 19.398 5.881 ( 0.000 4.082 0.000) 4.082 5.903 ( 0.000 13.172 0.000) 13.172 5.995 ( 0.000 -0.046 0.000) 0.046 6.664 ( 0.000 4.174 0.000) 4.174 6.915 ( 0.000 -0.383 0.000) 0.383 6.935 ( 0.000 2.898 0.000) 2.898 7.246 ( 0.000 7.649 0.000) 7.649 7.623 ( 0.000 -3.705 0.000) 3.705 7.843 ( 0.000 -2.994 0.000) 2.994 7.911 ( 0.000 0.439 0.000) 0.439 8.193 ( 0.000 -4.354 0.000) 4.354 8.308 ( 0.000 2.860 0.000) 2.860 8.435 ( 0.000 1.246 0.000) 1.246 8.545 ( 0.000 5.229 0.000) 5.229 8.786 ( 0.000 14.174 0.000) 14.174 8.813 ( 0.000 10.205 0.000) 10.205 8.817 ( 0.000 6.810 0.000) 6.810 9.067 ( 0.000 -4.024 0.000) 4.024 9.431 ( 0.000 -11.270 0.000) 11.270 9.437 ( 0.000 1.096 0.000) 1.096 9.632 ( 0.000 -3.334 0.000) 3.334 9.861 ( 0.000 20.554 0.000) 20.554 10.031 ( 0.000 8.482 0.000) 8.482 10.053 ( 0.000 2.493 0.000) 2.493 10.261 ( 0.000 -0.728 0.000) 0.728 10.787 ( 0.000 -16.352 0.000) 16.352 10.936 ( 0.000 4.203 0.000) 4.203 11.047 ( 0.000 -7.378 0.000) 7.378 11.684 ( 0.000 -1.830 0.000) 1.830 11.784 ( 0.000 -7.985 0.000) 7.985 11.918 ( 0.000 -4.860 0.000) 4.860 11.934 ( 0.000 -18.427 0.000) 18.427 12.008 ( 0.000 -15.234 0.000) 15.234 12.192 ( 0.000 -8.974 0.000) 8.974 12.378 ( 0.000 -12.901 0.000) 12.901 12.478 ( 0.000 -7.074 0.000) 7.074 12.652 ( 0.000 -14.788 0.000) 14.788 13.069 ( 0.000 4.846 0.000) 4.846 13.255 ( 0.000 8.424 0.000) 8.424 15.535 ( 0.000 0.930 0.000) 0.930 15.545 ( 0.000 -13.488 0.000) 13.488 15.817 ( 0.000 -17.970 0.000) 17.970 15.889 ( 0.000 -11.417 0.000) 11.417 15.916 ( 0.000 -14.951 0.000) 14.951 15.963 ( 0.000 9.126 0.000) 9.126 16.221 ( 0.000 -8.091 0.000) 8.091 16.511 ( 0.000 -0.366 0.000) 0.366======================= Grid point 21 (14/72) =======================q-point: ( 0.20 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 0.731 14.326 0.000) 14.345 1.945 ( 2.999 6.874 0.000) 7.500 2.062 ( -6.695 11.221 0.000) 13.067 2.268 ( -10.043 3.323 0.000) 10.578 2.382 ( 2.804 9.398 0.000) 9.807 2.466 ( 6.706 11.577 0.000) 13.379 2.593 ( 5.354 6.378 0.000) 8.328 2.642 ( -1.690 2.560 0.000) 3.068 2.788 ( -3.365 6.566 0.000) 7.378 2.848 ( 5.536 -0.997 0.000) 5.625 3.021 ( 3.291 1.827 0.000) 3.764 3.096 ( 6.156 -3.122 0.000) 6.902 3.120 ( -10.207 13.325 0.000) 16.785 3.352 ( -11.927 0.658 0.000) 11.945 3.359 ( 1.075 -0.841 0.000) 1.365 3.683 ( 3.042 10.599 0.000) 11.027 3.728 ( 4.063 11.382 0.000) 12.085 3.739 ( -9.356 7.288 0.000) 11.860 3.848 ( -2.333 3.903 0.000) 4.547 3.937 ( 8.346 9.321 0.000) 12.511 4.021 ( -3.137 8.536 0.000) 9.094 4.183 ( -1.648 7.768 0.000) 7.941 4.293 ( 1.341 5.727 0.000) 5.882 4.360 ( -6.027 1.760 0.000) 6.279 4.416 ( 4.639 29.759 0.000) 30.118 4.514 ( -3.698 8.393 0.000) 9.172 4.632 ( -1.536 6.571 0.000) 6.748 4.742 ( -4.756 11.380 0.000) 12.334 4.848 ( -1.866 12.670 0.000) 12.807 4.957 ( -1.264 13.780 0.000) 13.838 5.125 ( 9.764 10.655 0.000) 14.451 5.144 ( 6.037 6.806 0.000) 9.097 5.284 ( 5.862 10.337 0.000) 11.884 5.418 ( 8.479 -10.333 0.000) 13.366 5.457 ( -1.005 18.465 0.000) 18.492 5.545 ( 0.160 -0.040 0.000) 0.164 5.751 ( -1.943 19.172 0.000) 19.270 5.839 ( -2.990 5.515 0.000) 6.273 5.886 ( -1.540 12.867 0.000) 12.959 5.971 ( -2.965 -0.371 0.000) 2.988 6.771 ( 9.575 2.495 0.000) 9.895 7.012 ( 8.633 -0.187 0.000) 8.635 7.062 ( 12.076 2.916 0.000) 12.423 7.325 ( 6.657 7.222 0.000) 9.822 7.568 ( -4.267 -2.426 0.000) 4.908 7.789 ( -4.777 0.403 0.000) 4.794 7.891 ( -2.070 -1.326 0.000) 2.458 8.118 ( -8.431 -4.917 0.000) 9.760 8.345 ( 3.283 1.061 0.000) 3.450 8.400 ( -0.563 0.497 0.000) 0.751 8.522 ( -1.570 5.696 0.000) 5.909 8.738 ( -6.904 11.153 0.000) 13.117 8.839 ( 2.296 8.640 0.000) 8.940 8.898 ( 7.741 12.910 0.000) 15.053 9.061 ( -0.375 -5.773 0.000) 5.785 9.430 ( -0.055 -11.810 0.000) 11.810 9.454 ( 1.659 -0.383 0.000) 1.703 9.509 ( -11.184 -0.954 0.000) 11.225 9.871 ( 0.574 18.384 0.000) 18.393 10.003 ( -4.206 4.528 0.000) 6.180 10.024 ( -2.319 4.707 0.000) 5.248 10.132 ( -7.119 3.327 0.000) 7.858 10.938 ( 7.644 -10.887 0.000) 13.303 10.959 ( 2.145 2.446 0.000) 3.253 11.119 ( 9.925 -11.015 0.000) 14.827 11.720 ( 3.147 -6.107 0.000) 6.870 11.745 ( -2.543 -7.918 0.000) 8.316 11.890 ( -5.352 -16.039 0.000) 16.909 11.922 ( -1.401 -15.290 0.000) 15.354 11.974 ( 0.394 -2.453 0.000) 2.485 12.170 ( -3.567 -12.423 0.000) 12.925 12.423 ( -5.410 -4.600 0.000) 7.101 12.500 ( 10.290 -11.123 0.000) 15.153 12.651 ( 1.013 -11.881 0.000) 11.925 12.895 ( -12.503 2.473 0.000) 12.746 13.250 ( -3.603 5.403 0.000) 6.494 15.566 ( 2.063 -13.311 0.000) 13.469 15.598 ( 5.608 2.183 0.000) 6.018 15.791 ( -5.030 -13.400 0.000) 14.313 15.828 ( 0.691 -17.184 0.000) 17.198 15.950 ( -1.177 8.155 0.000) 8.240 15.951 ( -0.406 -13.080 0.000) 13.086 16.283 ( 5.288 -7.090 0.000) 8.845 16.495 ( -1.450 -0.673 0.000) 1.599======================= Grid point 22 (15/72) =======================q-point: ( 0.40 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 0.013 17.175 0.000) 17.175 1.957 ( -5.817 10.098 0.000) 11.654 2.054 ( 2.160 4.288 0.000) 4.801 2.073 ( -2.168 4.937 0.000) 5.392 2.518 ( 7.640 7.710 0.000) 10.854 2.544 ( 1.969 9.428 0.000) 9.632 2.643 ( -0.737 8.549 0.000) 8.581 2.664 ( 3.085 3.249 0.000) 4.481 2.825 ( 1.505 9.107 0.000) 9.231 2.869 ( -10.612 9.361 0.000) 14.151 2.974 ( 4.541 2.219 0.000) 5.055 3.006 ( 0.174 -0.618 0.000) 0.642 3.186 ( 1.982 -5.897 0.000) 6.221 3.254 ( 4.500 3.503 0.000) 5.702 3.335 ( -3.631 0.513 0.000) 3.667 3.428 ( -17.257 -0.451 0.000) 17.263 3.813 ( 7.911 11.562 0.000) 14.009 3.814 ( 4.901 13.051 0.000) 13.941 3.888 ( 5.547 12.589 0.000) 13.757 3.941 ( -4.174 5.132 0.000) 6.615 3.961 ( -4.886 11.643 0.000) 12.627 4.091 ( -10.728 4.414 0.000) 11.600 4.355 ( 9.009 7.300 0.000) 11.595 4.373 ( 5.229 2.842 0.000) 5.952 4.460 ( -2.831 1.650 0.000) 3.277 4.519 ( 5.424 29.408 0.000) 29.904 4.543 ( -7.356 7.334 0.000) 10.387 4.633 ( -5.649 20.338 0.000) 21.108 4.851 ( 1.915 12.301 0.000) 12.449 4.911 ( -3.259 10.269 0.000) 10.773 5.255 ( 4.379 11.569 0.000) 12.370 5.279 ( 3.356 12.074 0.000) 12.532 5.388 ( 4.371 9.340 0.000) 10.313 5.444 ( -0.717 16.383 0.000) 16.399 5.547 ( 1.225 -1.879 0.000) 2.243 5.583 ( 3.155 -9.216 0.000) 9.741 5.719 ( 2.488 14.499 0.000) 14.711 5.810 ( 0.287 9.332 0.000) 9.336 5.849 ( -2.051 11.843 0.000) 12.020 5.866 ( -7.105 0.425 0.000) 7.118 6.995 ( 11.523 0.073 0.000) 11.523 7.150 ( 0.001 -1.144 0.000) 1.144 7.341 ( 11.894 4.142 0.000) 12.594 7.398 ( 1.461 7.832 0.000) 7.967 7.583 ( 5.913 -0.272 0.000) 5.919 7.675 ( -5.683 3.358 0.000) 6.601 7.831 ( -2.735 -4.001 0.000) 4.847 7.911 ( -9.953 -5.196 0.000) 11.228 8.402 ( 1.338 -0.613 0.000) 1.472 8.407 ( 0.179 -0.530 0.000) 0.560 8.509 ( 1.156 7.342 0.000) 7.432 8.583 ( -6.584 10.049 0.000) 12.014 8.941 ( 8.757 8.122 0.000) 11.943 9.015 ( 3.244 7.417 0.000) 8.096 9.057 ( -0.065 -4.321 0.000) 4.321 9.212 ( -15.405 -1.533 0.000) 15.481 9.469 ( 2.438 -4.146 0.000) 4.810 9.489 ( 1.012 -2.151 0.000) 2.377 9.855 ( -1.606 7.373 0.000) 7.545 9.881 ( -4.955 -0.177 0.000) 4.958 10.011 ( 1.574 12.358 0.000) 12.458 10.056 ( -2.370 12.259 0.000) 12.486 11.002 ( 1.490 -1.569 0.000) 2.164 11.006 ( 1.106 -5.163 0.000) 5.280 11.420 ( 16.675 -14.602 0.000) 22.165 11.717 ( -11.776 -14.057 0.000) 18.338 11.737 ( 2.040 -13.233 0.000) 13.389 11.781 ( 1.100 -20.402 0.000) 20.432 11.883 ( -0.861 -1.299 0.000) 1.558 11.943 ( -4.448 -5.579 0.000) 7.135 12.151 ( 3.556 -4.490 0.000) 5.727 12.277 ( -8.036 -0.481 0.000) 8.050 12.607 ( 1.944 -12.812 0.000) 12.959 12.687 ( -7.026 -6.519 0.000) 9.584 12.823 ( 13.919 -3.415 0.000) 14.332 13.090 ( -11.596 0.811 0.000) 11.624 15.623 ( 3.362 -12.266 0.000) 12.719 15.685 ( -1.496 -5.549 0.000) 5.747 15.746 ( 3.985 -6.086 0.000) 7.274 15.822 ( -1.867 -9.831 0.000) 10.007 15.922 ( -1.223 -0.085 0.000) 1.225 15.923 ( -1.339 -10.922 0.000) 11.004 16.387 ( 4.450 -4.749 0.000) 6.508 16.456 ( -2.527 -2.147 0.000) 3.316======================= Grid point 25 (16/72) =======================q-point: ( 0.00 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( 0.000 4.434 0.000) 4.434 2.062 ( 0.000 7.818 0.000) 7.818 2.412 ( 0.000 1.533 0.000) 1.533 2.494 ( 0.000 8.631 0.000) 8.631 2.519 ( 0.000 8.676 0.000) 8.676 2.582 ( 0.000 13.584 0.000) 13.584 2.644 ( 0.000 -4.661 0.000) 4.661 2.665 ( 0.000 2.202 0.000) 2.202 2.823 ( 0.000 2.453 0.000) 2.453 2.913 ( 0.000 12.784 0.000) 12.784 2.990 ( 0.000 0.305 0.000) 0.305 3.122 ( 0.000 7.186 0.000) 7.186 3.246 ( 0.000 -7.254 0.000) 7.254 3.425 ( 0.000 -9.698 0.000) 9.698 3.522 ( 0.000 12.880 0.000) 12.880 3.735 ( 0.000 -0.589 0.000) 0.589 3.795 ( 0.000 1.704 0.000) 1.704 3.816 ( 0.000 -1.820 0.000) 1.820 3.845 ( 0.000 -3.641 0.000) 3.641 3.873 ( 0.000 -4.104 0.000) 4.104 4.278 ( 0.000 12.512 0.000) 12.512 4.412 ( 0.000 5.803 0.000) 5.803 4.428 ( 0.000 10.050 0.000) 10.050 4.463 ( 0.000 5.677 0.000) 5.677 4.642 ( 0.000 -1.244 0.000) 1.244 4.731 ( 0.000 1.202 0.000) 1.202 4.874 ( 0.000 -5.882 0.000) 5.882 4.916 ( 0.000 12.481 0.000) 12.481 4.991 ( 0.000 2.685 0.000) 2.685 5.070 ( 0.000 1.847 0.000) 1.847 5.107 ( 0.000 13.271 0.000) 13.271 5.317 ( 0.000 9.837 0.000) 9.837 5.358 ( 0.000 16.094 0.000) 16.094 5.517 ( 0.000 15.212 0.000) 15.212 5.550 ( 0.000 -0.590 0.000) 0.590 5.688 ( 0.000 2.118 0.000) 2.118 6.078 ( 0.000 14.725 0.000) 14.725 6.111 ( 0.000 11.320 0.000) 11.320 6.170 ( 0.000 13.307 0.000) 13.307 6.176 ( 0.000 18.837 0.000) 18.837 6.773 ( 0.000 6.311 0.000) 6.311 6.980 ( 0.000 6.328 0.000) 6.328 7.000 ( 0.000 2.973 0.000) 2.973 7.375 ( 0.000 2.373 0.000) 2.373 7.591 ( 0.000 3.096 0.000) 3.096 7.840 ( 0.000 3.675 0.000) 3.675 7.932 ( 0.000 1.372 0.000) 1.372 8.093 ( 0.000 -4.440 0.000) 4.440 8.343 ( 0.000 1.272 0.000) 1.272 8.436 ( 0.000 -3.581 0.000) 3.581 8.639 ( 0.000 7.482 0.000) 7.482 8.729 ( 0.000 -10.260 0.000) 10.260 8.935 ( 0.000 5.078 0.000) 5.078 9.040 ( 0.000 2.948 0.000) 2.948 9.157 ( 0.000 -7.076 0.000) 7.076 9.247 ( 0.000 15.007 0.000) 15.007 9.438 ( 0.000 -1.633 0.000) 1.633 9.573 ( 0.000 -3.955 0.000) 3.955 10.097 ( 0.000 -3.308 0.000) 3.308 10.107 ( 0.000 3.318 0.000) 3.318 10.237 ( 0.000 16.569 0.000) 16.569 10.283 ( 0.000 3.521 0.000) 3.521 10.485 ( 0.000 -12.987 0.000) 12.987 10.932 ( 0.000 -4.105 0.000) 4.105 10.989 ( 0.000 0.946 0.000) 0.946 11.356 ( 0.000 -21.455 0.000) 21.455 11.487 ( 0.000 -25.941 0.000) 25.941 11.616 ( 0.000 -9.356 0.000) 9.356 11.905 ( 0.000 6.386 0.000) 6.386 11.978 ( 0.000 -12.098 0.000) 12.098 12.023 ( 0.000 4.362 0.000) 4.362 12.204 ( 0.000 -3.481 0.000) 3.481 12.359 ( 0.000 -5.127 0.000) 5.127 12.376 ( 0.000 -12.746 0.000) 12.746 13.178 ( 0.000 5.530 0.000) 5.530 13.371 ( 0.000 3.250 0.000) 3.250 15.294 ( 0.000 -10.595 0.000) 10.595 15.487 ( 0.000 -14.562 0.000) 14.562 15.538 ( 0.000 -1.106 0.000) 1.106 15.646 ( 0.000 -11.340 0.000) 11.340 15.707 ( 0.000 -5.546 0.000) 5.546 16.070 ( 0.000 -7.183 0.000) 7.183 16.139 ( 0.000 8.478 0.000) 8.478 16.516 ( 0.000 0.064 0.000) 0.064======================= Grid point 26 (17/72) =======================q-point: ( 0.20 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.036 ( 2.130 3.449 0.000) 4.054 2.073 ( 1.190 6.152 0.000) 6.266 2.322 ( -9.239 1.398 0.000) 9.344 2.336 ( -9.448 12.844 0.000) 15.945 2.537 ( 5.272 6.763 0.000) 8.576 2.665 ( 1.211 0.373 0.000) 1.267 2.700 ( 4.477 11.127 0.000) 11.994 2.724 ( 7.343 4.045 0.000) 8.383 2.834 ( 1.379 0.397 0.000) 1.435 2.936 ( -3.448 5.456 0.000) 6.454 3.034 ( 5.807 2.414 0.000) 6.288 3.111 ( -0.356 6.232 0.000) 6.242 3.269 ( 1.074 -7.385 0.000) 7.462 3.294 ( -7.686 -4.974 0.000) 9.155 3.377 ( -10.102 11.685 0.000) 15.446 3.727 ( -10.785 -1.404 0.000) 10.876 3.800 ( 3.223 -2.713 0.000) 4.212 3.812 ( -0.314 -0.281 0.000) 0.421 3.936 ( 7.791 3.594 0.000) 8.580 3.986 ( 12.593 -5.019 0.000) 13.556 4.236 ( -3.603 11.105 0.000) 11.675 4.345 ( -6.790 8.148 0.000) 10.607 4.395 ( 0.060 6.756 0.000) 6.756 4.433 ( -4.011 7.836 0.000) 8.803 4.646 ( -0.364 -0.900 0.000) 0.971 4.650 ( -4.481 4.526 0.000) 6.369 4.912 ( -0.040 1.590 0.000) 1.590 4.988 ( 3.540 17.503 0.000) 17.857 5.014 ( 4.374 2.596 0.000) 5.086 5.139 ( 3.614 3.102 0.000) 4.763 5.147 ( 6.154 -5.052 0.000) 7.962 5.299 ( -4.399 12.039 0.000) 12.818 5.351 ( 2.905 10.039 0.000) 10.450 5.547 ( -1.242 0.417 0.000) 1.310 5.574 ( 4.924 13.931 0.000) 14.775 5.708 ( 1.873 5.600 0.000) 5.905 6.076 ( -0.118 15.081 0.000) 15.082 6.099 ( -1.011 13.102 0.000) 13.140 6.156 ( -1.193 16.792 0.000) 16.835 6.165 ( -1.545 16.385 0.000) 16.458 6.860 ( 7.804 5.749 0.000) 9.693 7.042 ( 5.484 3.218 0.000) 6.358 7.107 ( 10.258 1.114 0.000) 10.318 7.445 ( 6.106 0.344 0.000) 6.116 7.581 ( -0.708 6.902 0.000) 6.938 7.827 ( -1.400 4.511 0.000) 4.723 7.887 ( -3.999 1.558 0.000) 4.291 8.033 ( -6.433 -2.966 0.000) 7.084 8.359 ( 1.521 0.583 0.000) 1.629 8.415 ( -1.692 -1.159 0.000) 2.051 8.592 ( -1.803 4.397 0.000) 4.752 8.738 ( 0.781 -8.594 0.000) 8.630 8.920 ( -2.643 2.609 0.000) 3.714 9.118 ( -3.661 -11.605 0.000) 12.169 9.173 ( 9.183 7.516 0.000) 11.866 9.188 ( -4.205 13.590 0.000) 14.225 9.432 ( 0.454 -1.622 0.000) 1.684 9.489 ( -6.422 -2.399 0.000) 6.855 9.978 ( -8.468 -2.727 0.000) 8.896 10.092 ( -2.856 7.037 0.000) 7.595 10.244 ( 1.144 13.900 0.000) 13.947 10.271 ( 0.526 6.810 0.000) 6.830 10.686 ( 14.325 -14.025 0.000) 20.048 10.954 ( 2.641 -5.447 0.000) 6.053 10.978 ( -0.933 -0.716 0.000) 1.176 11.341 ( -1.387 -21.959 0.000) 22.003 11.405 ( -5.863 -24.798 0.000) 25.482 11.590 ( -4.795 -13.582 0.000) 14.404 11.901 ( -3.113 -5.703 0.000) 6.497 11.913 ( 0.533 5.192 0.000) 5.220 12.059 ( 2.966 1.197 0.000) 3.198 12.320 ( 5.618 -6.757 0.000) 8.788 12.329 ( -2.869 -4.714 0.000) 5.518 12.457 ( 10.642 -7.432 0.000) 12.980 12.981 ( -15.977 5.492 0.000) 16.894 13.317 ( -7.174 1.114 0.000) 7.260 15.318 ( 2.353 -10.492 0.000) 10.752 15.510 ( 1.959 -14.113 0.000) 14.248 15.537 ( -2.712 -8.906 0.000) 9.310 15.627 ( 1.093 -4.568 0.000) 4.697 15.745 ( 3.472 -3.709 0.000) 5.081 16.114 ( -2.589 8.023 0.000) 8.430 16.153 ( 7.093 -6.225 0.000) 9.437 16.493 ( -2.332 -0.352 0.000) 2.358======================= Grid point 27 (18/72) =======================q-point: ( 0.40 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 2.374 2.686 0.000) 3.585 2.103 ( 1.144 3.494 0.000) 3.676 2.176 ( -3.895 6.498 0.000) 7.576 2.184 ( -4.674 11.415 0.000) 12.335 2.633 ( 3.754 4.089 0.000) 5.551 2.677 ( -0.371 2.887 0.000) 2.910 2.775 ( 3.584 8.468 0.000) 9.195 2.826 ( -1.836 8.752 0.000) 8.943 2.859 ( 1.027 -3.756 0.000) 3.894 2.948 ( -4.045 -2.662 0.000) 4.843 3.010 ( 9.523 -0.667 0.000) 9.547 3.150 ( 2.266 10.318 0.000) 10.564 3.202 ( -5.364 7.792 0.000) 9.460 3.252 ( -5.614 -0.004 0.000) 5.614 3.287 ( 4.942 0.825 0.000) 5.011 3.448 ( -13.378 2.242 0.000) 13.565 3.835 ( 1.682 -4.002 0.000) 4.341 3.843 ( 1.061 -5.862 0.000) 5.957 4.095 ( 7.298 6.844 0.000) 10.005 4.182 ( 0.116 12.716 0.000) 12.717 4.201 ( -5.097 11.776 0.000) 12.832 4.259 ( 9.960 -9.535 0.000) 13.788 4.304 ( -6.424 12.403 0.000) 13.968 4.411 ( -0.792 0.803 0.000) 1.128 4.588 ( -2.066 6.674 0.000) 6.986 4.596 ( -3.637 2.857 0.000) 4.625 4.930 ( 2.701 8.516 0.000) 8.934 4.994 ( -2.423 15.288 0.000) 15.479 5.103 ( 3.641 6.471 0.000) 7.424 5.164 ( -2.534 8.290 0.000) 8.669 5.261 ( 3.963 -9.174 0.000) 9.994 5.276 ( 1.987 -5.245 0.000) 5.608 5.420 ( 3.801 7.500 0.000) 8.408 5.496 ( -3.474 3.310 0.000) 4.799 5.678 ( 4.655 11.292 0.000) 12.214 5.732 ( -0.385 8.591 0.000) 8.600 6.071 ( 0.240 16.030 0.000) 16.032 6.100 ( 1.271 16.873 0.000) 16.920 6.108 ( -3.008 19.173 0.000) 19.407 6.133 ( -1.664 15.486 0.000) 15.575 7.034 ( 8.142 3.137 0.000) 8.725 7.126 ( 0.393 -0.691 0.000) 0.795 7.362 ( 13.001 -2.586 0.000) 13.255 7.522 ( -1.552 -3.389 0.000) 3.727 7.630 ( 7.327 10.838 0.000) 13.082 7.781 ( -3.799 8.117 0.000) 8.962 7.804 ( -2.855 3.154 0.000) 4.255 7.852 ( -9.324 0.416 0.000) 9.333 8.389 ( 0.971 -0.714 0.000) 1.205 8.397 ( -0.196 -0.766 0.000) 0.790 8.605 ( 3.067 3.210 0.000) 4.440 8.709 ( -5.683 2.570 0.000) 6.237 8.876 ( 2.864 -8.423 0.000) 8.897 9.004 ( -7.369 -10.419 0.000) 12.762 9.160 ( 1.510 7.790 0.000) 7.935 9.229 ( -4.182 3.879 0.000) 5.704 9.461 ( 3.193 3.475 0.000) 4.719 9.465 ( 2.096 1.061 0.000) 2.349 9.871 ( -0.080 1.560 0.000) 1.562 9.975 ( -7.767 7.413 0.000) 10.737 10.275 ( 1.310 11.211 0.000) 11.287 10.285 ( 0.324 9.181 0.000) 9.187 10.901 ( 4.940 -6.488 0.000) 8.154 10.954 ( -1.519 -3.446 0.000) 3.766 11.103 ( 13.147 -16.202 0.000) 20.865 11.308 ( -3.882 -24.918 0.000) 25.219 11.314 ( -0.648 -22.710 0.000) 22.720 11.407 ( -11.852 -17.402 0.000) 21.054 11.888 ( 1.111 -0.494 0.000) 1.216 11.913 ( -0.767 2.712 0.000) 2.818 12.149 ( 5.449 0.837 0.000) 5.513 12.252 ( -4.589 -2.910 0.000) 5.434 12.423 ( 7.050 -4.707 0.000) 8.477 12.648 ( -15.222 2.516 0.000) 15.428 12.756 ( 16.874 -3.610 0.000) 17.256 13.085 ( -15.023 -1.774 0.000) 15.128 15.385 ( 4.085 -10.123 0.000) 10.916 15.467 ( -3.827 -9.806 0.000) 10.526 15.555 ( 2.401 -12.812 0.000) 13.035 15.607 ( -2.617 -10.674 0.000) 10.990 15.880 ( 8.401 4.325 0.000) 9.449 16.030 ( -5.965 6.705 0.000) 8.974 16.304 ( 7.090 -4.099 0.000) 8.190 16.422 ( -4.699 -1.792 0.000) 5.029======================= Grid point 30 (19/72) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 0.000 5.463 0.000) 5.463 2.220 ( 0.000 8.277 0.000) 8.277 2.374 ( 0.000 -5.676 0.000) 5.676 2.503 ( 0.000 -4.129 0.000) 4.129 2.626 ( 0.000 2.832 0.000) 2.832 2.645 ( 0.000 4.078 0.000) 4.078 2.780 ( 0.000 5.648 0.000) 5.648 2.836 ( 0.000 10.071 0.000) 10.071 2.912 ( 0.000 6.593 0.000) 6.593 2.994 ( 0.000 0.595 0.000) 0.595 3.070 ( 0.000 -9.262 0.000) 9.262 3.175 ( 0.000 12.942 0.000) 12.942 3.205 ( 0.000 -8.191 0.000) 8.191 3.321 ( 0.000 9.064 0.000) 9.064 3.637 ( 0.000 -8.441 0.000) 8.441 3.717 ( 0.000 4.850 0.000) 4.850 3.720 ( 0.000 -8.038 0.000) 8.038 3.738 ( 0.000 -4.567 0.000) 4.567 3.760 ( 0.000 -2.188 0.000) 2.188 3.832 ( 0.000 -0.748 0.000) 0.748 4.485 ( 0.000 7.654 0.000) 7.654 4.540 ( 0.000 5.292 0.000) 5.292 4.577 ( 0.000 4.782 0.000) 4.782 4.587 ( 0.000 5.795 0.000) 5.795 4.651 ( 0.000 3.138 0.000) 3.138 4.720 ( 0.000 -1.227 0.000) 1.227 4.738 ( 0.000 -6.138 0.000) 6.138 4.895 ( 0.000 -5.397 0.000) 5.397 5.012 ( 0.000 -0.081 0.000) 0.081 5.044 ( 0.000 -1.960 0.000) 1.960 5.465 ( 0.000 11.232 0.000) 11.232 5.541 ( 0.000 3.471 0.000) 3.471 5.561 ( 0.000 2.332 0.000) 2.332 5.598 ( 0.000 13.539 0.000) 13.539 5.687 ( 0.000 1.019 0.000) 1.019 5.748 ( 0.000 7.107 0.000) 7.107 6.343 ( 0.000 10.058 0.000) 10.058 6.344 ( 0.000 9.687 0.000) 9.687 6.413 ( 0.000 10.170 0.000) 10.170 6.466 ( 0.000 9.468 0.000) 9.468 6.896 ( 0.000 5.579 0.000) 5.579 7.031 ( 0.000 -0.259 0.000) 0.259 7.123 ( 0.000 6.996 0.000) 6.996 7.332 ( 0.000 -4.316 0.000) 4.316 7.741 ( 0.000 9.074 0.000) 9.074 7.946 ( 0.000 -0.484 0.000) 0.484 7.995 ( 0.000 10.900 0.000) 10.900 8.046 ( 0.000 0.248 0.000) 0.248 8.312 ( 0.000 -6.788 0.000) 6.788 8.365 ( 0.000 1.088 0.000) 1.088 8.534 ( 0.000 -8.594 0.000) 8.594 8.728 ( 0.000 -19.337 0.000) 19.337 8.859 ( 0.000 13.465 0.000) 13.465 9.045 ( 0.000 6.601 0.000) 6.601 9.317 ( 0.000 3.462 0.000) 3.462 9.356 ( 0.000 -6.283 0.000) 6.283 9.485 ( 0.000 0.582 0.000) 0.582 9.582 ( 0.000 18.428 0.000) 18.428 9.948 ( 0.000 -10.597 0.000) 10.597 10.156 ( 0.000 -0.953 0.000) 0.953 10.301 ( 0.000 -4.919 0.000) 4.919 10.324 ( 0.000 -0.640 0.000) 0.640 10.518 ( 0.000 11.677 0.000) 11.677 10.881 ( 0.000 -1.114 0.000) 1.114 10.942 ( 0.000 -11.380 0.000) 11.380 11.013 ( 0.000 -11.576 0.000) 11.576 11.048 ( 0.000 -8.741 0.000) 8.741 11.363 ( 0.000 -15.461 0.000) 15.461 11.842 ( 0.000 -0.414 0.000) 0.414 12.038 ( 0.000 6.471 0.000) 6.471 12.066 ( 0.000 -3.575 0.000) 3.575 12.176 ( 0.000 -4.073 0.000) 4.073 12.180 ( 0.000 -0.077 0.000) 0.077 12.261 ( 0.000 -4.869 0.000) 4.869 13.278 ( 0.000 4.388 0.000) 4.388 13.392 ( 0.000 -0.785 0.000) 0.785 15.144 ( 0.000 -4.237 0.000) 4.237 15.248 ( 0.000 -9.160 0.000) 9.160 15.473 ( 0.000 -3.926 0.000) 3.926 15.478 ( 0.000 -5.398 0.000) 5.398 15.700 ( 0.000 3.573 0.000) 3.573 15.931 ( 0.000 -6.779 0.000) 6.779 16.297 ( 0.000 7.206 0.000) 7.206 16.495 ( 0.000 -2.324 0.000) 2.324======================= Grid point 31 (20/72) =======================q-point: ( 0.20 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 0.467 4.420 0.000) 4.445 2.201 ( -1.409 7.063 0.000) 7.202 2.306 ( -4.635 -3.109 0.000) 5.581 2.457 ( -5.156 -1.760 0.000) 5.448 2.660 ( 3.521 5.102 0.000) 6.199 2.720 ( -1.950 6.059 0.000) 6.365 2.743 ( 6.505 -0.555 0.000) 6.529 2.874 ( -0.488 4.840 0.000) 4.865 2.888 ( -0.703 4.944 0.000) 4.994 2.963 ( -2.451 1.026 0.000) 2.657 3.094 ( 1.558 -8.606 0.000) 8.746 3.129 ( -5.530 -2.955 0.000) 6.270 3.246 ( 4.215 7.857 0.000) 8.916 3.310 ( 2.156 10.970 0.000) 11.180 3.570 ( -6.307 6.853 0.000) 9.313 3.685 ( 1.116 -7.750 0.000) 7.830 3.724 ( -4.935 0.996 0.000) 5.035 3.765 ( -1.891 -2.427 0.000) 3.077 3.816 ( 10.355 -10.426 0.000) 14.694 3.944 ( 8.499 -2.933 0.000) 8.991 4.423 ( -3.915 7.388 0.000) 8.361 4.490 ( -4.928 6.281 0.000) 7.984 4.509 ( -2.836 3.246 0.000) 4.310 4.588 ( -2.448 6.039 0.000) 6.516 4.682 ( 2.007 5.065 0.000) 5.448 4.720 ( -0.472 2.342 0.000) 2.389 4.808 ( 5.323 -7.526 0.000) 9.218 4.950 ( 3.802 -7.213 0.000) 8.154 5.040 ( 3.250 -0.091 0.000) 3.251 5.064 ( 2.533 -2.468 0.000) 3.537 5.372 ( -6.519 6.786 0.000) 9.410 5.432 ( -7.324 1.802 0.000) 7.543 5.621 ( 3.397 7.805 0.000) 8.513 5.623 ( 2.129 12.957 0.000) 13.131 5.776 ( 5.243 2.039 0.000) 5.625 5.780 ( 2.832 6.121 0.000) 6.744 6.338 ( 0.245 10.454 0.000) 10.456 6.361 ( 1.060 9.979 0.000) 10.036 6.414 ( -0.070 10.422 0.000) 10.422 6.458 ( -1.060 9.881 0.000) 9.937 6.970 ( 6.484 4.726 0.000) 8.023 7.099 ( 6.615 -1.710 0.000) 6.833 7.128 ( 0.618 5.060 0.000) 5.098 7.365 ( 2.360 -6.061 0.000) 6.504 7.784 ( 4.149 10.701 0.000) 11.478 7.942 ( -0.446 2.803 0.000) 2.838 7.964 ( -2.880 6.854 0.000) 7.435 8.043 ( -0.501 5.746 0.000) 5.767 8.321 ( 0.907 -6.013 0.000) 6.081 8.367 ( 0.096 0.273 0.000) 0.290 8.548 ( 1.779 -9.284 0.000) 9.453 8.703 ( -2.064 -6.222 0.000) 6.556 8.830 ( -2.336 -0.441 0.000) 2.377 8.987 ( -5.860 4.842 0.000) 7.602 9.276 ( -5.393 -6.837 0.000) 8.709 9.278 ( -6.913 -5.890 0.000) 9.081 9.526 ( 6.043 11.537 0.000) 13.024 9.588 ( 1.790 18.483 0.000) 18.569 9.946 ( -0.701 -1.685 0.000) 1.826 10.218 ( 4.253 1.991 0.000) 4.696 10.334 ( 2.106 -1.640 0.000) 2.669 10.414 ( 9.244 -11.304 0.000) 14.603 10.458 ( -6.126 7.603 0.000) 9.764 10.881 ( -0.055 -2.143 0.000) 2.143 10.920 ( -2.278 -13.150 0.000) 13.346 10.957 ( -6.575 -7.428 0.000) 9.920 10.995 ( -1.410 -11.133 0.000) 11.222 11.278 ( -8.172 -16.207 0.000) 18.151 11.857 ( 1.840 1.584 0.000) 2.427 12.025 ( -1.404 5.630 0.000) 5.802 12.062 ( 1.203 -3.786 0.000) 3.973 12.234 ( -2.575 -4.847 0.000) 5.489 12.237 ( 6.517 0.066 0.000) 6.518 12.355 ( 13.686 -3.487 0.000) 14.123 13.097 ( -15.403 5.875 0.000) 16.486 13.296 ( -10.177 -3.013 0.000) 10.614 15.170 ( 2.594 -4.071 0.000) 4.827 15.277 ( 2.611 -9.001 0.000) 9.372 15.407 ( -3.707 -3.616 0.000) 5.178 15.484 ( -1.907 -6.711 0.000) 6.977 15.791 ( 8.423 4.977 0.000) 9.783 16.029 ( 8.464 -6.224 0.000) 10.506 16.266 ( -3.218 7.008 0.000) 7.712 16.465 ( -3.053 -2.576 0.000) 3.994======================= Grid point 32 (21/72) =======================q-point: ( 0.40 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 2.112 3.200 0.000) 3.834 2.176 ( -1.249 4.520 0.000) 4.689 2.257 ( 0.567 0.819 0.000) 0.996 2.329 ( -6.049 1.903 0.000) 6.341 2.699 ( 1.006 2.559 0.000) 2.749 2.714 ( 0.210 1.764 0.000) 1.776 2.803 ( -2.722 -1.628 0.000) 3.172 2.818 ( -1.827 -5.377 0.000) 5.679 2.929 ( 3.279 6.058 0.000) 6.889 2.978 ( 5.282 3.432 0.000) 6.299 3.022 ( -3.907 2.086 0.000) 4.429 3.093 ( -2.568 -5.681 0.000) 6.235 3.329 ( 5.946 4.737 0.000) 7.602 3.433 ( 7.190 14.191 0.000) 15.908 3.464 ( -5.747 6.580 0.000) 8.736 3.573 ( -7.901 12.427 0.000) 14.726 3.695 ( 0.700 -7.759 0.000) 7.790 3.728 ( -2.162 -6.145 0.000) 6.514 4.033 ( 8.722 -12.648 0.000) 15.364 4.082 ( 3.891 -7.966 0.000) 8.865 4.377 ( -0.477 7.231 0.000) 7.246 4.402 ( -3.313 8.377 0.000) 9.009 4.456 ( -1.405 3.679 0.000) 3.938 4.503 ( -5.037 6.560 0.000) 8.270 4.704 ( 0.274 6.528 0.000) 6.534 4.708 ( -0.391 5.095 0.000) 5.110 4.917 ( 5.244 -7.692 0.000) 9.310 4.988 ( -0.898 -8.991 0.000) 9.035 5.126 ( 5.086 0.579 0.000) 5.118 5.161 ( 6.280 -1.664 0.000) 6.497 5.240 ( -6.301 3.898 0.000) 7.409 5.291 ( -6.653 0.325 0.000) 6.661 5.662 ( 1.351 12.116 0.000) 12.191 5.667 ( 1.034 10.725 0.000) 10.774 5.837 ( 2.183 4.213 0.000) 4.744 5.847 ( 1.507 2.834 0.000) 3.210 6.360 ( 1.985 11.221 0.000) 11.396 6.386 ( 1.390 10.373 0.000) 10.465 6.402 ( -1.383 10.733 0.000) 10.822 6.420 ( -2.278 10.722 0.000) 10.961 7.095 ( 4.692 2.840 0.000) 5.484 7.140 ( -0.112 2.396 0.000) 2.398 7.267 ( 8.535 -5.842 0.000) 10.343 7.379 ( -2.042 -8.462 0.000) 8.705 7.878 ( 3.342 11.249 0.000) 11.735 7.908 ( -1.888 6.534 0.000) 6.801 7.939 ( 1.534 8.861 0.000) 8.992 8.009 ( -3.208 11.048 0.000) 11.504 8.345 ( 1.255 -3.700 0.000) 3.907 8.364 ( -0.543 -1.589 0.000) 1.680 8.618 ( 4.972 -10.552 0.000) 11.664 8.680 ( -0.005 -1.869 0.000) 1.869 8.769 ( -2.982 -4.559 0.000) 5.448 8.830 ( -8.059 4.573 0.000) 9.266 9.163 ( -3.121 -6.867 0.000) 7.543 9.169 ( -3.584 -9.184 0.000) 9.858 9.645 ( 2.987 16.520 0.000) 16.788 9.655 ( 3.680 14.892 0.000) 15.340 9.973 ( 6.029 7.432 0.000) 9.570 10.179 ( -10.683 12.827 0.000) 16.693 10.368 ( 0.237 -5.803 0.000) 5.808 10.369 ( 1.009 -2.422 0.000) 2.624 10.642 ( 12.019 -18.424 0.000) 21.998 10.838 ( -6.483 -18.112 0.000) 19.237 10.869 ( -1.819 -5.228 0.000) 5.536 10.871 ( -0.999 -5.441 0.000) 5.532 10.988 ( 1.683 -9.001 0.000) 9.157 11.090 ( -8.590 -12.483 0.000) 15.153 11.913 ( 3.474 2.926 0.000) 4.542 11.981 ( -2.944 4.014 0.000) 4.977 12.105 ( 2.781 -4.847 0.000) 5.588 12.169 ( -3.522 -4.882 0.000) 6.020 12.436 ( 13.116 4.745 0.000) 13.948 12.670 ( 17.059 -5.095 0.000) 17.803 12.750 ( -17.588 6.686 0.000) 18.816 13.015 ( -16.626 -5.118 0.000) 17.396 15.243 ( 4.402 -3.884 0.000) 5.871 15.331 ( -4.085 -3.659 0.000) 5.484 15.341 ( 3.637 -8.288 0.000) 9.051 15.419 ( -3.965 -7.482 0.000) 8.468 15.989 ( 10.078 5.979 0.000) 11.718 16.164 ( -7.018 6.535 0.000) 9.590 16.215 ( 9.087 -4.886 0.000) 10.317 16.371 ( -6.315 -3.445 0.000) 7.193======================= Grid point 35 (22/72) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( 0.000 -6.956 0.000) 6.956 2.238 ( 0.000 6.956 0.000) 6.956 2.384 ( 0.000 -7.553 0.000) 7.553 2.384 ( 0.000 7.553 0.000) 7.553 2.679 ( 0.000 -0.875 0.000) 0.875 2.679 ( 0.000 0.875 0.000) 0.875 2.882 ( 0.000 -5.595 0.000) 5.595 2.882 ( 0.000 5.595 0.000) 5.595 2.989 ( 0.000 -0.444 0.000) 0.444 2.989 ( 0.000 0.444 0.000) 0.444 3.047 ( 0.000 -5.508 0.000) 5.508 3.047 ( 0.000 5.508 0.000) 5.508 3.429 ( 0.000 -11.871 0.000) 11.871 3.429 ( 0.000 11.871 0.000) 11.871 3.532 ( 0.000 -10.524 0.000) 10.524 3.532 ( 0.000 10.524 0.000) 10.524 3.687 ( 0.000 -0.396 0.000) 0.396 3.687 ( 0.000 0.396 0.000) 0.396 3.812 ( 0.000 -1.901 0.000) 1.901 3.812 ( 0.000 1.901 0.000) 1.901 4.576 ( 0.000 -1.423 0.000) 1.423 4.576 ( 0.000 1.423 0.000) 1.423 4.646 ( 0.000 -3.283 0.000) 3.283 4.646 ( 0.000 3.283 0.000) 3.283 4.679 ( 0.000 -3.259 0.000) 3.259 4.679 ( 0.000 3.259 0.000) 3.259 4.768 ( 0.000 -6.971 0.000) 6.971 4.768 ( 0.000 6.971 0.000) 6.971 5.016 ( 0.000 -0.786 0.000) 0.786 5.016 ( 0.000 0.786 0.000) 0.786 5.528 ( 0.000 -2.387 0.000) 2.387 5.528 ( 0.000 2.387 0.000) 2.387 5.685 ( 0.000 -3.834 0.000) 3.834 5.685 ( 0.000 3.834 0.000) 3.834 5.781 ( 0.000 -4.001 0.000) 4.001 5.781 ( 0.000 4.001 0.000) 4.001 6.447 ( 0.000 -0.017 0.000) 0.017 6.447 ( 0.000 0.017 0.000) 0.017 6.541 ( 0.000 -1.847 0.000) 1.847 6.541 ( 0.000 1.847 0.000) 1.847 6.989 ( 0.000 -3.630 0.000) 3.630 6.989 ( 0.000 3.631 0.000) 3.631 7.240 ( 0.000 -4.904 0.000) 4.904 7.240 ( 0.000 4.904 0.000) 4.904 7.892 ( 0.000 -5.313 0.000) 5.313 7.892 ( 0.000 5.313 0.000) 5.313 8.098 ( 0.000 -3.434 0.000) 3.434 8.098 ( 0.000 3.434 0.000) 3.434 8.365 ( 0.000 -15.168 0.000) 15.168 8.365 ( 0.000 15.168 0.000) 15.168 8.407 ( 0.000 -3.852 0.000) 3.852 8.407 ( 0.000 3.852 0.000) 3.852 9.141 ( 0.000 -13.836 0.000) 13.836 9.141 ( 0.000 13.837 0.000) 13.837 9.201 ( 0.000 -8.516 0.000) 8.516 9.201 ( 0.000 8.516 0.000) 8.516 9.697 ( 0.000 -13.742 0.000) 13.742 9.697 ( 0.000 13.742 0.000) 13.742 9.961 ( 0.000 -17.515 0.000) 17.515 9.961 ( 0.000 17.515 0.000) 17.515 10.280 ( 0.000 -2.019 0.000) 2.019 10.280 ( 0.000 2.019 0.000) 2.019 10.712 ( 0.000 -8.512 0.000) 8.512 10.712 ( 0.000 8.513 0.000) 8.513 10.888 ( 0.000 -2.242 0.000) 2.242 10.888 ( 0.000 2.243 0.000) 2.243 11.092 ( 0.000 -9.257 0.000) 9.257 11.092 ( 0.000 9.258 0.000) 9.258 11.920 ( 0.000 -7.086 0.000) 7.086 11.920 ( 0.000 7.086 0.000) 7.086 12.158 ( 0.000 -5.530 0.000) 5.530 12.158 ( 0.000 5.530 0.000) 5.530 12.176 ( 0.000 -0.627 0.000) 0.627 12.176 ( 0.000 0.627 0.000) 0.627 13.352 ( 0.000 -3.004 0.000) 3.004 13.352 ( 0.000 3.005 0.000) 3.005 15.129 ( 0.000 -2.681 0.000) 2.681 15.129 ( 0.000 2.682 0.000) 2.682 15.428 ( 0.000 -0.168 0.000) 0.168 15.428 ( 0.000 0.169 0.000) 0.169 15.802 ( 0.000 -6.041 0.000) 6.041 15.802 ( 0.000 6.041 0.000) 6.041 16.421 ( 0.000 -5.056 0.000) 5.056 16.421 ( 0.000 5.057 0.000) 5.057======================= Grid point 37 (23/72) =======================q-point: ( 0.20 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -1.373 -5.447 0.000) 5.617 2.213 ( -1.373 5.447 0.000) 5.617 2.350 ( -3.000 -7.307 0.000) 7.899 2.350 ( -3.000 7.307 0.000) 7.899 2.726 ( 2.808 -1.609 0.000) 3.237 2.726 ( 2.808 1.610 0.000) 3.237 2.850 ( -3.984 -6.076 0.000) 7.265 2.850 ( -3.984 6.076 0.000) 7.265 2.982 ( 0.734 -3.900 0.000) 3.969 2.982 ( 0.734 3.900 0.000) 3.969 3.024 ( -1.062 -5.030 0.000) 5.141 3.024 ( -1.062 5.030 0.000) 5.141 3.431 ( 0.404 -6.159 0.000) 6.173 3.431 ( 0.404 6.159 0.000) 6.173 3.611 ( 7.128 -7.432 0.000) 10.297 3.611 ( 7.128 7.432 0.000) 10.297 3.665 ( -2.257 -4.052 0.000) 4.638 3.665 ( -2.257 4.052 0.000) 4.638 3.842 ( 2.068 -6.342 0.000) 6.670 3.842 ( 2.068 6.342 0.000) 6.670 4.521 ( -3.782 -2.146 0.000) 4.348 4.521 ( -3.782 2.146 0.000) 4.348 4.604 ( -2.708 -4.779 0.000) 5.492 4.604 ( -2.708 4.779 0.000) 5.493 4.733 ( 3.001 -0.640 0.000) 3.069 4.733 ( 3.001 0.640 0.000) 3.069 4.808 ( 2.527 -6.811 0.000) 7.264 4.808 ( 2.527 6.811 0.000) 7.264 5.037 ( 2.854 -0.481 0.000) 2.894 5.037 ( 2.854 0.481 0.000) 2.894 5.429 ( -7.129 -1.338 0.000) 7.253 5.429 ( -7.129 1.338 0.000) 7.253 5.761 ( 4.731 -4.230 0.000) 6.346 5.761 ( 4.731 4.230 0.000) 6.346 5.801 ( 1.766 -4.153 0.000) 4.513 5.801 ( 1.766 4.153 0.000) 4.513 6.456 ( 0.932 -0.776 0.000) 1.213 6.456 ( 0.932 0.777 0.000) 1.214 6.541 ( -0.293 -1.540 0.000) 1.568 6.541 ( -0.293 1.541 0.000) 1.568 7.048 ( 5.284 -3.245 0.000) 6.201 7.048 ( 5.284 3.245 0.000) 6.201 7.240 ( -0.143 -6.088 0.000) 6.089 7.240 ( -0.143 6.088 0.000) 6.090 7.943 ( 4.526 -3.967 0.000) 6.018 7.943 ( 4.526 3.967 0.000) 6.018 8.081 ( -1.377 -5.419 0.000) 5.591 8.081 ( -1.377 5.419 0.000) 5.591 8.393 ( 2.360 -14.832 0.000) 15.019 8.393 ( 2.360 14.832 0.000) 15.019 8.402 ( -0.271 -4.408 0.000) 4.416 8.402 ( -0.271 4.408 0.000) 4.416 9.050 ( -6.997 -13.284 0.000) 15.014 9.050 ( -6.997 13.284 0.000) 15.014 9.123 ( -6.845 -8.252 0.000) 10.722 9.123 ( -6.845 8.252 0.000) 10.722 9.803 ( 8.599 -13.058 0.000) 15.635 9.803 ( 8.599 13.058 0.000) 15.635 9.998 ( 2.939 -20.282 0.000) 20.493 9.998 ( 2.939 20.282 0.000) 20.493 10.293 ( 1.276 -2.384 0.000) 2.704 10.293 ( 1.276 2.384 0.000) 2.704 10.651 ( -6.171 -11.894 0.000) 13.400 10.651 ( -6.171 11.894 0.000) 13.400 10.878 ( -0.762 -2.162 0.000) 2.292 10.878 ( -0.762 2.162 0.000) 2.292 11.014 ( -6.094 -9.000 0.000) 10.869 11.014 ( -6.094 9.000 0.000) 10.869 11.942 ( 2.036 -6.204 0.000) 6.530 11.942 ( 2.036 6.204 0.000) 6.530 12.133 ( -2.385 -5.238 0.000) 5.755 12.133 ( -2.385 5.238 0.000) 5.755 12.288 ( 10.354 -3.424 0.000) 10.905 12.288 ( 10.354 3.424 0.000) 10.905 13.210 ( -13.056 -5.237 0.000) 14.067 13.210 ( -13.056 5.237 0.000) 14.067 15.158 ( 2.770 -2.791 0.000) 3.932 15.158 ( 2.770 2.791 0.000) 3.932 15.394 ( -3.007 -2.096 0.000) 3.666 15.394 ( -3.007 2.096 0.000) 3.666 15.905 ( 9.035 -6.109 0.000) 10.906 15.905 ( 9.035 6.109 0.000) 10.906 16.388 ( -3.361 -5.088 0.000) 6.098 16.388 ( -3.361 5.088 0.000) 6.098======================= Grid point 39 (24/72) =======================q-point: ( 0.40 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.217 ( 1.989 -3.859 0.000) 4.341 2.217 ( 1.989 3.859 0.000) 4.341 2.280 ( -3.693 -5.177 0.000) 6.359 2.280 ( -3.693 5.177 0.000) 6.359 2.743 ( -0.359 -2.378 0.000) 2.405 2.743 ( -0.359 2.378 0.000) 2.405 2.764 ( -3.122 -2.698 0.000) 4.127 2.764 ( -3.122 2.698 0.000) 4.127 3.013 ( 1.607 -3.014 0.000) 3.415 3.013 ( 1.607 3.014 0.000) 3.415 3.027 ( 0.416 -1.645 0.000) 1.696 3.027 ( 0.416 1.645 0.000) 1.696 3.475 ( 4.429 -8.462 0.000) 9.551 3.475 ( 4.429 8.462 0.000) 9.551 3.586 ( -5.517 -6.617 0.000) 8.615 3.586 ( -5.517 6.617 0.000) 8.615 3.765 ( 6.973 -13.561 0.000) 15.248 3.765 ( 6.973 13.561 0.000) 15.248 3.855 ( -1.596 -13.379 0.000) 13.474 3.855 ( -1.596 13.380 0.000) 13.474 4.478 ( 0.339 -2.303 0.000) 2.328 4.478 ( 0.339 2.304 0.000) 2.328 4.532 ( -4.104 -3.733 0.000) 5.548 4.532 ( -4.104 3.733 0.000) 5.548 4.791 ( 2.828 -4.057 0.000) 4.945 4.791 ( 2.828 4.057 0.000) 4.946 4.830 ( -0.619 -6.509 0.000) 6.539 4.830 ( -0.619 6.509 0.000) 6.539 5.138 ( 6.660 -0.682 0.000) 6.695 5.138 ( 6.660 0.682 0.000) 6.695 5.282 ( -7.379 -0.999 0.000) 7.446 5.282 ( -7.379 0.999 0.000) 7.446 5.830 ( 1.830 -4.734 0.000) 5.075 5.830 ( 1.830 4.734 0.000) 5.075 5.835 ( 1.098 -4.563 0.000) 4.694 5.835 ( 1.098 4.563 0.000) 4.694 6.484 ( 1.831 -0.782 0.000) 1.991 6.484 ( 1.831 0.782 0.000) 1.991 6.522 ( -1.613 -0.705 0.000) 1.761 6.522 ( -1.613 0.705 0.000) 1.761 7.162 ( 5.019 -4.261 0.000) 6.584 7.162 ( 5.019 4.261 0.000) 6.584 7.227 ( -1.545 -6.253 0.000) 6.441 7.227 ( -1.545 6.253 0.000) 6.441 8.030 ( 2.983 -2.824 0.000) 4.108 8.030 ( 2.983 2.824 0.000) 4.108 8.058 ( -0.735 -6.613 0.000) 6.654 8.058 ( -0.735 6.613 0.000) 6.654 8.410 ( 1.265 -8.151 0.000) 8.248 8.410 ( 1.265 8.151 0.000) 8.248 8.429 ( 0.370 -13.025 0.000) 13.030 8.429 ( 0.370 13.025 0.000) 13.030 8.941 ( -2.294 -12.106 0.000) 12.321 8.941 ( -2.294 12.106 0.000) 12.321 8.982 ( -5.759 -9.595 0.000) 11.190 8.982 ( -5.759 9.595 0.000) 11.191 9.972 ( 6.895 -13.087 0.000) 14.793 9.972 ( 6.895 13.088 0.000) 14.793 10.040 ( 0.159 -21.238 0.000) 21.238 10.040 ( 0.159 21.238 0.000) 21.238 10.342 ( 4.276 -8.622 0.000) 9.624 10.342 ( 4.276 8.622 0.000) 9.624 10.483 ( -9.207 -16.819 0.000) 19.174 10.483 ( -9.207 16.819 0.000) 19.175 10.872 ( 0.506 -3.772 0.000) 3.805 10.872 ( 0.506 3.772 0.000) 3.806 10.911 ( -3.567 -6.403 0.000) 7.329 10.911 ( -3.567 6.403 0.000) 7.329 11.997 ( 3.364 -5.216 0.000) 6.207 11.997 ( 3.364 5.216 0.000) 6.207 12.070 ( -3.657 -4.837 0.000) 6.063 12.070 ( -3.657 4.837 0.000) 6.064 12.554 ( 15.541 -6.269 0.000) 16.758 12.554 ( 15.541 6.269 0.000) 16.758 12.891 ( -17.378 -6.991 0.000) 18.731 12.891 ( -17.378 6.991 0.000) 18.731 15.231 ( 4.294 -2.594 0.000) 5.017 15.231 ( 4.295 2.594 0.000) 5.017 15.319 ( -4.250 -2.356 0.000) 4.859 15.319 ( -4.250 2.356 0.000) 4.859 16.108 ( 10.118 -5.766 0.000) 11.645 16.108 ( 10.118 5.766 0.000) 11.646 16.284 ( -7.096 -5.293 0.000) 8.853 16.284 ( -7.096 5.294 0.000) 8.853======================= Grid point 75 (25/72) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( 0.000 0.000 26.137) 26.137 0.617 ( 0.000 0.000 29.056) 29.056 1.054 ( 0.000 0.000 48.678) 48.678 1.485 ( 0.000 0.000 -14.541) 14.541 1.616 ( 0.000 0.000 -17.840) 17.840 1.786 ( 0.000 0.000 11.316) 11.316 2.036 ( 0.000 0.000 5.967) 5.967 2.230 ( 0.000 0.000 -3.591) 3.591 2.243 ( 0.000 0.000 8.414) 8.414 2.352 ( 0.000 0.000 2.240) 2.240 2.371 ( 0.000 0.000 2.575) 2.575 2.438 ( 0.000 0.000 -1.919) 1.919 2.456 ( 0.000 0.000 -0.882) 0.882 2.549 ( 0.000 0.000 7.916) 7.916 2.553 ( 0.000 0.000 -18.875) 18.875 2.597 ( 0.000 0.000 -7.820) 7.820 2.627 ( 0.000 0.000 -7.137) 7.137 2.767 ( 0.000 0.000 -4.778) 4.778 2.830 ( 0.000 0.000 -5.688) 5.688 3.159 ( 0.000 0.000 6.957) 6.957 3.168 ( 0.000 0.000 -28.339) 28.339 3.371 ( 0.000 0.000 -2.775) 2.775 3.514 ( 0.000 0.000 4.382) 4.382 3.694 ( 0.000 0.000 1.619) 1.619 3.944 ( 0.000 0.000 17.780) 17.780 3.949 ( 0.000 0.000 -7.403) 7.403 4.231 ( 0.000 0.000 -18.416) 18.416 4.361 ( 0.000 0.000 13.736) 13.736 4.534 ( 0.000 0.000 9.382) 9.382 4.703 ( 0.000 0.000 0.509) 0.509 4.863 ( 0.000 0.000 -5.869) 5.869 4.900 ( 0.000 0.000 7.910) 7.910 5.098 ( 0.000 0.000 9.828) 9.828 5.358 ( 0.000 0.000 -0.926) 0.926 5.522 ( 0.000 0.000 -8.760) 8.760 5.585 ( 0.000 0.000 -5.078) 5.078 5.758 ( 0.000 0.000 -0.772) 0.772 5.860 ( 0.000 0.000 2.608) 2.608 6.198 ( 0.000 0.000 12.158) 12.158 6.324 ( 0.000 0.000 1.809) 1.809 6.399 ( 0.000 0.000 -0.945) 0.945 6.529 ( 0.000 0.000 -3.831) 3.831 6.963 ( 0.000 0.000 0.287) 0.287 6.992 ( 0.000 0.000 2.072) 2.072 7.026 ( 0.000 0.000 -2.064) 2.064 7.175 ( 0.000 0.000 -5.649) 5.649 7.368 ( 0.000 0.000 3.893) 3.893 7.511 ( 0.000 0.000 0.735) 0.735 7.560 ( 0.000 0.000 -1.270) 1.270 7.635 ( 0.000 0.000 -10.510) 10.510 8.266 ( 0.000 0.000 13.544) 13.544 8.353 ( 0.000 0.000 1.018) 1.018 8.354 ( 0.000 0.000 0.855) 0.855 8.735 ( 0.000 0.000 -8.455) 8.455 9.194 ( 0.000 0.000 10.339) 10.339 9.238 ( 0.000 0.000 1.572) 1.572 9.339 ( 0.000 0.000 -2.267) 2.267 9.600 ( 0.000 0.000 6.241) 6.241 9.640 ( 0.000 0.000 -2.949) 2.949 9.990 ( 0.000 0.000 -12.092) 12.092 10.060 ( 0.000 0.000 1.010) 1.010 10.108 ( 0.000 0.000 -0.843) 0.843 10.853 ( 0.000 0.000 3.331) 3.331 11.258 ( 0.000 0.000 -15.664) 15.664 11.786 ( 0.000 0.000 8.553) 8.553 12.003 ( 0.000 0.000 -3.203) 3.203 12.103 ( 0.000 0.000 7.550) 7.550 12.478 ( 0.000 0.000 -5.257) 5.257 12.707 ( 0.000 0.000 12.086) 12.086 13.110 ( 0.000 0.000 -3.626) 3.626 13.128 ( 0.000 0.000 -1.231) 1.231 13.133 ( 0.000 0.000 -3.215) 3.215 13.276 ( 0.000 0.000 0.006) 0.006 13.280 ( 0.000 0.000 -0.145) 0.145 13.302 ( 0.000 0.000 0.155) 0.155 13.306 ( 0.000 0.000 -0.005) 0.005 14.402 ( 0.000 0.000 3.284) 3.284 14.596 ( 0.000 0.000 -4.224) 4.224 15.721 ( 0.000 0.000 2.584) 2.584 15.858 ( 0.000 0.000 -2.550) 2.550 16.673 ( 0.000 0.000 5.186) 5.186 16.935 ( 0.000 0.000 -5.010) 5.010 17.322 ( 0.000 0.000 3.724) 3.724 17.491 ( 0.000 0.000 -2.744) 2.744======================= Grid point 76 (26/72) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 17.571 0.000 17.928) 25.103 0.823 ( 17.693 0.000 21.058) 27.504 1.265 ( 18.315 0.000 37.141) 41.411 1.562 ( 8.803 0.000 -17.115) 19.246 1.676 ( 5.828 0.000 -16.034) 17.061 1.827 ( -5.265 0.000 7.992) 9.570 1.978 ( -9.678 0.000 5.054) 10.918 2.120 ( -5.001 0.000 1.609) 5.253 2.286 ( -4.977 0.000 1.154) 5.109 2.356 ( 8.481 0.000 13.720) 16.130 2.365 ( -6.652 0.000 -1.650) 6.854 2.406 ( 2.260 0.000 -0.996) 2.470 2.444 ( -0.169 0.000 -11.242) 11.244 2.518 ( -1.449 0.000 -1.870) 2.365 2.559 ( 4.163 0.000 -0.580) 4.203 2.666 ( -0.365 0.000 -12.462) 12.467 2.748 ( 7.810 0.000 1.385) 7.932 2.836 ( 9.366 0.000 -10.449) 14.032 2.901 ( 4.851 0.000 -2.351) 5.390 3.153 ( 1.711 0.000 -16.839) 16.926 3.159 ( 0.377 0.000 5.320) 5.334 3.347 ( -2.294 0.000 -2.651) 3.506 3.471 ( -3.294 0.000 -1.607) 3.665 3.611 ( -4.861 0.000 3.725) 6.124 3.762 ( -7.207 0.000 11.223) 13.338 3.989 ( -6.985 0.000 -9.971) 12.174 4.157 ( -3.212 0.000 -14.942) 15.283 4.343 ( -8.310 0.000 -2.798) 8.768 4.559 ( -4.556 0.000 9.165) 10.235 4.692 ( 3.603 0.000 7.826) 8.616 4.787 ( 3.466 0.000 2.448) 4.243 4.996 ( 1.567 0.000 -2.632) 3.063 5.148 ( 3.464 0.000 7.545) 8.302 5.296 ( -8.094 0.000 6.006) 10.079 5.395 ( -0.357 0.000 -5.987) 5.997 5.559 ( -6.690 0.000 -4.177) 7.887 5.777 ( 3.737 0.000 2.317) 4.397 5.942 ( 1.576 0.000 -1.319) 2.055 6.195 ( 2.884 0.000 11.310) 11.672 6.331 ( 0.676 0.000 1.572) 1.711 6.391 ( -0.743 0.000 -0.629) 0.974 6.545 ( -1.951 0.000 -4.276) 4.700 6.966 ( 0.352 0.000 0.025) 0.353 7.018 ( -0.805 0.000 -1.878) 2.044 7.212 ( 6.036 0.000 -0.939) 6.109 7.367 ( 1.371 0.000 0.718) 1.548 7.455 ( 25.979 0.000 -11.584) 28.444 7.517 ( 0.578 0.000 0.567) 0.810 7.557 ( -0.309 0.000 -1.068) 1.112 7.848 ( 14.979 0.000 -14.331) 20.730 8.343 ( 10.002 0.000 9.796) 14.000 8.363 ( 0.940 0.000 1.023) 1.389 8.367 ( 1.044 0.000 0.897) 1.376 8.757 ( 2.350 0.000 -8.765) 9.074 9.199 ( 0.767 0.000 9.686) 9.716 9.235 ( -0.097 0.000 1.216) 1.220 9.319 ( -1.847 0.000 -1.946) 2.683 9.437 ( -12.912 0.000 5.154) 13.902 9.546 ( -10.076 0.000 -1.709) 10.220 9.849 ( -14.695 0.000 -8.386) 16.919 10.068 ( 0.682 0.000 0.806) 1.056 10.106 ( -0.207 0.000 -0.686) 0.717 10.871 ( 2.175 0.000 5.271) 5.702 11.201 ( -4.820 0.000 0.497) 4.845 11.765 ( -1.779 0.000 13.031) 13.152 11.967 ( -5.565 0.000 0.745) 5.615 12.015 ( -0.361 0.000 -1.261) 1.312 12.168 ( -12.999 0.000 2.275) 13.197 12.740 ( 2.817 0.000 10.481) 10.853 13.016 ( -7.669 0.000 -0.105) 7.670 13.097 ( 0.024 0.000 -4.354) 4.354 13.132 ( -0.360 0.000 -4.123) 4.139 13.278 ( 0.198 0.000 -0.001) 0.198 13.282 ( 0.193 0.000 -0.161) 0.252 13.300 ( -0.188 0.000 0.170) 0.253 13.304 ( -0.195 0.000 0.003) 0.195 14.683 ( 14.793 0.000 -1.635) 14.884 14.886 ( 16.975 0.000 -15.810) 23.197 15.753 ( 3.190 0.000 3.424) 4.680 15.910 ( 2.862 0.000 -1.365) 3.171 16.665 ( -0.036 0.000 3.758) 3.759 16.948 ( -0.083 0.000 -5.856) 5.857 17.177 ( -13.597 0.000 9.036) 16.326 17.277 ( -8.389 0.000 3.820) 9.218======================= Grid point 77 (27/72) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 22.204 0.000 11.752) 25.122 1.230 ( 21.543 0.000 12.718) 25.017 1.530 ( -12.139 0.000 13.540) 18.184 1.649 ( -19.429 0.000 8.080) 21.042 1.723 ( 12.161 0.000 18.250) 21.931 1.762 ( 10.659 0.000 -11.517) 15.693 1.840 ( 9.173 0.000 -12.537) 15.535 2.028 ( -7.867 0.000 -5.860) 9.810 2.207 ( -6.923 0.000 -9.409) 11.682 2.212 ( -0.134 0.000 2.840) 2.844 2.258 ( -3.875 0.000 1.259) 4.074 2.415 ( -19.582 0.000 -3.666) 19.923 2.450 ( 2.077 0.000 -2.976) 3.629 2.488 ( -1.672 0.000 -3.473) 3.854 2.763 ( 13.193 0.000 2.325) 13.396 2.839 ( 20.862 0.000 7.392) 22.133 2.884 ( 5.408 0.000 3.725) 6.567 2.951 ( -0.720 0.000 2.823) 2.913 2.967 ( 2.759 0.000 -3.860) 4.745 3.197 ( 3.644 0.000 0.300) 3.656 3.230 ( -0.056 0.000 4.731) 4.731 3.282 ( -4.094 0.000 -2.089) 4.596 3.401 ( -4.806 0.000 -3.722) 6.079 3.474 ( -10.508 0.000 -14.359) 17.793 3.697 ( 5.084 0.000 -0.117) 5.086 3.922 ( 6.202 0.000 -12.035) 13.539 3.980 ( -16.979 0.000 -4.168) 17.483 4.133 ( -6.777 0.000 -16.997) 18.298 4.602 ( 2.509 0.000 1.992) 3.204 4.633 ( -3.385 0.000 -0.458) 3.416 4.851 ( 0.579 0.000 6.403) 6.430 4.903 ( -6.397 0.000 4.495) 7.818 5.221 ( 3.668 0.000 5.371) 6.504 5.257 ( 0.417 0.000 5.659) 5.674 5.424 ( 2.917 0.000 1.782) 3.418 5.474 ( -1.956 0.000 3.452) 3.968 5.846 ( 3.452 0.000 -0.916) 3.572 5.920 ( -3.212 0.000 -1.757) 3.661 6.297 ( 6.411 0.000 7.243) 9.673 6.349 ( 1.080 0.000 0.945) 1.435 6.372 ( -1.117 0.000 0.122) 1.124 6.438 ( -7.243 0.000 1.727) 7.446 6.978 ( 0.808 0.000 -0.624) 1.021 6.998 ( -1.090 0.000 -1.352) 1.737 7.340 ( 4.677 0.000 0.921) 4.767 7.378 ( 0.128 0.000 1.915) 1.919 7.532 ( 0.837 0.000 0.093) 0.842 7.547 ( -0.670 0.000 -0.540) 0.861 7.861 ( 14.229 0.000 -10.435) 17.645 8.018 ( -0.269 0.000 -12.060) 12.063 8.382 ( 0.746 0.000 1.050) 1.288 8.385 ( 0.509 0.000 0.969) 1.095 8.692 ( 22.405 0.000 0.980) 22.426 8.884 ( 11.803 0.000 -7.193) 13.822 9.106 ( -15.704 0.000 1.869) 15.815 9.242 ( 0.961 0.000 0.217) 0.985 9.248 ( -19.035 0.000 -2.897) 19.254 9.275 ( -2.187 0.000 -1.028) 2.417 9.288 ( 4.399 0.000 8.408) 9.489 9.493 ( -16.108 0.000 0.935) 16.135 10.084 ( 0.853 0.000 0.307) 0.906 10.099 ( -0.567 0.000 -0.259) 0.623 10.955 ( 6.253 0.000 9.809) 11.632 11.095 ( -6.471 0.000 12.697) 14.251 11.765 ( 3.848 0.000 -5.580) 6.778 11.908 ( -7.742 0.000 -4.820) 9.120 11.994 ( 0.301 0.000 -0.033) 0.303 12.019 ( -0.793 0.000 -0.285) 0.843 12.806 ( 3.541 0.000 7.501) 8.295 12.887 ( -4.926 0.000 3.747) 6.189 13.107 ( 0.761 0.000 -4.530) 4.593 13.122 ( -0.674 0.000 -4.284) 4.336 13.284 ( 0.270 0.000 -0.054) 0.275 13.286 ( 0.112 0.000 -0.197) 0.227 13.296 ( -0.107 0.000 0.203) 0.230 13.299 ( -0.271 0.000 0.058) 0.277 14.950 ( 10.388 0.000 -2.687) 10.730 15.053 ( 0.837 0.000 -8.621) 8.662 15.835 ( 4.493 0.000 4.718) 6.516 15.913 ( -2.560 0.000 3.913) 4.676 16.704 ( 4.355 0.000 0.343) 4.369 16.839 ( -8.558 0.000 -0.552) 8.575 17.075 ( 1.409 0.000 1.173) 1.833 17.141 ( -5.148 0.000 0.513) 5.173======================= Grid point 80 (28/72) =======================q-point: ( 0.00 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 0.000 18.695 17.588) 25.668 0.811 ( 0.000 18.772 19.190) 26.845 1.502 ( 0.000 18.313 -2.281) 18.455 1.600 ( 0.000 28.285 21.112) 35.295 1.660 ( 0.000 3.526 -10.404) 10.986 1.921 ( 0.000 13.045 0.039) 13.045 2.203 ( 0.000 -2.421 8.519) 8.857 2.225 ( 0.000 17.389 6.300) 18.495 2.308 ( 0.000 2.060 -5.869) 6.220 2.404 ( 0.000 -0.534 -1.610) 1.696 2.467 ( 0.000 9.221 -1.287) 9.310 2.470 ( 0.000 11.012 -7.456) 13.298 2.595 ( 0.000 10.625 -0.867) 10.661 2.636 ( 0.000 13.778 -4.102) 14.376 2.656 ( 0.000 7.980 2.793) 8.455 2.724 ( 0.000 -0.567 -6.634) 6.658 2.745 ( 0.000 16.308 3.568) 16.694 2.851 ( 0.000 16.715 -5.183) 17.500 3.017 ( 0.000 15.115 -6.841) 16.591 3.205 ( 0.000 4.093 -19.610) 20.032 3.317 ( 0.000 13.116 6.874) 14.808 3.538 ( 0.000 12.297 0.217) 12.299 3.572 ( 0.000 10.147 -6.057) 11.818 3.681 ( 0.000 2.415 1.927) 3.089 3.876 ( 0.000 -2.873 20.337) 20.539 3.980 ( 0.000 3.562 -8.126) 8.872 4.175 ( 0.000 -2.980 -14.893) 15.188 4.363 ( 0.000 0.656 13.146) 13.162 4.527 ( 0.000 -0.519 5.080) 5.106 4.686 ( 0.000 -1.538 3.449) 3.776 4.751 ( 0.000 -6.135 10.692) 12.327 4.833 ( 0.000 -2.883 -6.590) 7.193 5.081 ( 0.000 -1.164 7.944) 8.029 5.370 ( 0.000 0.820 -2.019) 2.179 5.456 ( 0.000 -3.213 -4.935) 5.889 5.576 ( 0.000 -0.832 -4.220) 4.301 5.691 ( 0.000 -3.884 1.758) 4.264 5.802 ( 0.000 -4.110 2.637) 4.883 6.037 ( 0.000 -10.412 6.185) 12.110 6.340 ( 0.000 -12.366 -6.157) 13.814 6.675 ( 0.000 15.742 -1.016) 15.775 6.835 ( 0.000 -0.335 6.410) 6.418 6.850 ( 0.000 16.576 -12.212) 20.588 7.111 ( 0.000 3.633 -4.221) 5.569 7.318 ( 0.000 14.652 -4.681) 15.381 7.363 ( 0.000 23.972 -0.365) 23.975 7.457 ( 0.000 14.398 1.740) 14.503 7.582 ( 0.000 4.096 -1.731) 4.446 7.643 ( 0.000 0.478 -8.029) 8.043 7.658 ( 0.000 10.396 -6.703) 12.369 8.250 ( 0.000 -1.371 13.945) 14.012 8.439 ( 0.000 7.023 1.787) 7.247 8.477 ( 0.000 11.264 -0.363) 11.270 8.698 ( 0.000 -2.978 -6.436) 7.092 8.959 ( 0.000 -10.741 7.259) 12.964 9.347 ( 0.000 1.056 -3.291) 3.456 9.500 ( 0.000 13.345 2.409) 13.561 9.581 ( 0.000 -0.428 4.239) 4.261 9.620 ( 0.000 -2.930 -0.659) 3.003 9.800 ( 0.000 -11.633 -8.391) 14.343 10.105 ( 0.000 -0.498 1.066) 1.176 10.149 ( 0.000 3.299 -0.810) 3.397 10.845 ( 0.000 -0.568 3.830) 3.872 11.278 ( 0.000 -0.600 -16.083) 16.095 11.860 ( 0.000 -4.760 12.056) 12.962 12.024 ( 0.000 -1.352 0.358) 1.398 12.027 ( 0.000 1.527 -1.638) 2.240 12.359 ( 0.000 -15.709 -5.898) 16.779 12.635 ( 0.000 -8.687 6.043) 10.582 12.777 ( 0.000 -16.679 -0.739) 16.696 12.830 ( 0.000 -5.125 18.157) 18.866 12.954 ( 0.000 -12.317 0.035) 12.317 13.062 ( 0.000 -8.737 0.342) 8.743 13.154 ( 0.000 -11.251 1.513) 11.352 13.272 ( 0.000 -4.159 -3.547) 5.466 13.321 ( 0.000 -4.103 -3.615) 5.469 14.897 ( 0.000 22.595 -0.993) 22.616 15.082 ( 0.000 28.615 -15.816) 32.695 15.766 ( 0.000 4.124 3.273) 5.265 16.014 ( 0.000 11.012 -11.791) 16.134 16.601 ( 0.000 -7.034 4.549) 8.377 16.834 ( 0.000 -9.901 -4.343) 10.812 17.189 ( 0.000 -12.576 2.984) 12.925 17.204 ( 0.000 -20.562 9.159) 22.509======================= Grid point 81 (29/72) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 9.052 10.542 18.520) 23.153 0.990 ( 13.400 15.709 16.255) 26.278 1.514 ( 5.641 4.721 -10.933) 13.177 1.756 ( 8.871 14.977 6.442) 18.561 1.774 ( 8.327 23.066 5.270) 25.083 1.909 ( -3.134 11.190 -3.003) 12.003 2.112 ( -12.009 7.545 4.542) 14.892 2.237 ( -1.183 10.517 1.533) 10.693 2.344 ( 12.034 1.972 10.097) 15.832 2.387 ( -2.607 4.203 -5.372) 7.302 2.467 ( -2.446 10.778 -0.599) 11.069 2.502 ( -6.993 14.451 1.361) 16.112 2.516 ( 2.897 4.687 -0.208) 5.514 2.589 ( -2.335 7.719 -4.434) 9.203 2.638 ( 4.024 6.402 -5.112) 9.128 2.753 ( -0.471 9.964 -2.399) 10.260 2.886 ( 9.138 8.623 -5.904) 13.882 2.939 ( 5.839 15.094 -1.998) 16.307 3.052 ( 3.802 12.644 -3.404) 13.635 3.199 ( 1.080 6.494 -5.514) 8.588 3.332 ( 1.984 13.473 0.125) 13.619 3.496 ( -4.083 9.303 -0.064) 10.160 3.537 ( -1.965 11.045 -5.426) 12.462 3.650 ( -4.630 6.717 1.302) 8.261 3.764 ( -5.843 0.877 10.125) 11.723 3.974 ( -4.815 -0.550 -9.364) 10.543 4.113 ( -4.668 -1.859 -13.548) 14.450 4.308 ( -8.089 -1.806 -2.071) 8.543 4.527 ( -1.339 -2.602 10.085) 10.501 4.660 ( 2.577 -1.259 9.395) 9.823 4.755 ( 1.764 -2.795 3.852) 5.075 4.944 ( 3.403 -3.751 -4.752) 6.945 5.118 ( 2.329 -2.342 6.321) 7.132 5.285 ( -8.171 -1.181 4.223) 9.273 5.372 ( 0.428 -0.572 -1.530) 1.688 5.544 ( -5.084 -0.620 -4.159) 6.598 5.703 ( 2.657 -4.255 1.502) 5.237 5.874 ( 1.624 -4.830 -2.430) 5.646 6.065 ( 5.807 -8.255 8.275) 13.051 6.366 ( 0.833 -9.861 -3.988) 10.670 6.684 ( 0.038 20.942 -0.555) 20.949 6.790 ( -1.761 23.256 -4.918) 23.835 7.033 ( 7.903 0.024 -1.552) 8.054 7.085 ( -0.160 1.359 -1.529) 2.052 7.312 ( 1.158 7.614 3.280) 8.370 7.424 ( 4.953 10.862 -0.952) 11.976 7.456 ( 0.270 13.091 1.840) 13.223 7.604 ( 0.110 5.093 0.746) 5.149 7.682 ( 5.625 8.070 -11.768) 15.338 7.848 ( 14.621 1.163 -11.684) 18.752 8.335 ( 9.131 -0.855 8.909) 12.786 8.438 ( 0.055 5.792 2.227) 6.206 8.471 ( -0.560 8.909 0.061) 8.927 8.718 ( 2.833 -2.492 -6.749) 7.732 9.014 ( 5.072 -7.855 6.921) 11.633 9.314 ( -3.350 0.145 -2.868) 4.412 9.430 ( -8.963 4.583 2.398) 10.348 9.469 ( -5.906 7.861 1.789) 9.994 9.544 ( -8.063 -0.539 0.450) 8.094 9.755 ( -7.146 -7.753 -8.228) 13.375 10.039 ( -4.458 -2.594 3.662) 6.326 10.111 ( -3.023 0.720 0.922) 3.241 10.887 ( 4.131 1.126 4.984) 6.571 11.262 ( -2.496 2.009 -7.665) 8.308 11.782 ( -4.449 -2.664 12.117) 13.180 11.990 ( -1.518 2.995 -1.925) 3.871 12.030 ( -0.853 0.609 -0.485) 1.155 12.152 ( -11.263 -2.006 0.622) 11.457 12.654 ( 0.481 -10.464 3.205) 10.954 12.719 ( -0.124 -23.012 -0.419) 23.016 12.848 ( -4.685 -8.658 1.766) 10.001 12.920 ( -3.335 -13.120 -0.536) 13.548 13.133 ( 6.420 -10.612 4.999) 13.372 13.180 ( 2.096 -9.370 0.657) 9.624 13.294 ( 1.871 -2.659 -2.656) 4.198 13.376 ( 2.727 -2.325 -3.069) 4.719 14.967 ( 6.905 20.268 -0.352) 21.415 15.160 ( 4.886 18.648 -12.268) 22.850 15.804 ( 3.613 4.495 3.740) 6.874 16.031 ( 0.492 9.076 -6.488) 11.167 16.588 ( -0.485 -7.590 3.353) 8.311 16.844 ( -0.738 -10.199 -4.602) 11.213 17.044 ( -8.857 -11.864 8.702) 17.173 17.141 ( -5.353 -12.355 2.610) 13.715======================= Grid point 82 (30/72) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 23.802 1.072 12.500) 26.906 1.292 ( 15.348 10.226 12.108) 22.062 1.574 ( -8.527 -0.176 3.190) 9.106 1.625 ( -18.410 4.086 6.619) 19.986 1.890 ( 6.802 8.094 -5.736) 12.029 1.967 ( 7.873 9.606 -13.877) 18.623 2.034 ( 3.266 21.565 4.584) 22.287 2.161 ( -7.907 12.282 -5.051) 15.456 2.275 ( -2.221 9.087 -4.728) 10.482 2.375 ( -3.967 11.722 3.222) 12.787 2.391 ( -0.761 16.340 1.197) 16.401 2.500 ( -7.167 10.545 2.074) 12.918 2.568 ( 2.305 7.332 0.177) 7.687 2.613 ( -3.899 11.932 -1.385) 12.629 2.812 ( 11.780 7.157 -0.644) 13.799 2.835 ( 18.155 1.897 6.888) 19.510 3.004 ( 2.248 7.440 -1.889) 7.999 3.026 ( 4.990 11.651 4.103) 13.323 3.104 ( -1.275 10.915 1.867) 11.147 3.275 ( 0.093 6.670 3.688) 7.622 3.377 ( -5.523 9.405 -2.658) 11.226 3.399 ( 2.281 9.626 -0.066) 9.893 3.451 ( -6.560 8.294 0.972) 10.619 3.514 ( -6.605 7.983 -10.765) 14.942 3.716 ( 3.550 3.347 -0.963) 4.974 3.927 ( -5.720 0.281 -9.025) 10.688 3.952 ( -2.016 0.018 -7.788) 8.045 4.127 ( -6.938 0.463 -15.345) 16.847 4.579 ( 2.888 -2.100 2.171) 4.179 4.621 ( -3.420 -0.774 0.180) 3.511 4.796 ( 1.072 -3.868 7.519) 8.523 4.858 ( -6.451 -3.497 3.657) 8.199 5.194 ( 4.383 -2.307 4.892) 6.962 5.245 ( -0.358 -1.030 5.326) 5.437 5.406 ( 2.818 -0.755 2.505) 3.845 5.457 ( -2.645 -0.738 3.267) 4.268 5.773 ( 3.898 -5.299 -2.822) 7.158 5.850 ( -3.233 -5.182 -3.560) 7.070 6.218 ( 7.797 -5.642 5.094) 10.889 6.341 ( -3.821 -7.123 0.660) 8.110 6.686 ( 0.591 24.647 -0.337) 24.657 6.724 ( -3.457 28.271 -1.975) 28.550 7.090 ( 0.957 4.872 -0.352) 4.978 7.104 ( -0.085 6.720 -0.735) 6.761 7.381 ( 4.294 2.010 4.041) 6.230 7.443 ( -1.632 7.666 1.181) 7.926 7.523 ( 4.105 3.538 1.395) 5.596 7.584 ( -1.959 4.953 1.547) 5.547 7.873 ( 10.487 1.266 -11.495) 15.611 8.007 ( -0.825 -0.360 -12.213) 12.246 8.432 ( 0.437 3.294 1.041) 3.482 8.446 ( -0.954 4.329 0.750) 4.496 8.678 ( 22.306 -1.052 2.915) 22.520 8.865 ( 12.347 0.151 -5.650) 13.579 9.078 ( -8.544 -4.396 1.255) 9.690 9.163 ( -15.208 1.369 -1.278) 15.323 9.219 ( -0.168 0.184 4.402) 4.409 9.353 ( -8.866 2.281 2.606) 9.519 9.413 ( 0.097 7.246 -1.822) 7.472 9.516 ( -11.359 2.354 -4.256) 12.356 10.012 ( 1.121 -5.398 4.478) 7.103 10.052 ( -2.618 -3.335 3.056) 5.226 11.008 ( 7.735 3.825 7.405) 11.371 11.168 ( -6.991 4.488 6.714) 10.681 11.772 ( 3.823 0.454 -4.271) 5.750 11.912 ( -8.575 -0.505 -5.165) 10.023 12.004 ( 1.007 0.560 -0.093) 1.156 12.033 ( -1.679 1.075 -0.924) 2.198 12.664 ( 1.220 -15.667 2.996) 15.998 12.705 ( -2.281 -16.617 2.533) 16.963 12.808 ( 1.703 -14.637 0.075) 14.736 12.861 ( -2.879 -14.915 -0.497) 15.198 13.206 ( 1.453 -7.913 2.019) 8.295 13.211 ( 0.763 -7.401 0.888) 7.493 13.346 ( 2.853 -1.325 -1.961) 3.707 13.390 ( -1.136 -0.475 -2.462) 2.752 15.125 ( 7.216 14.456 -1.579) 16.234 15.209 ( -0.719 12.928 -6.038) 14.286 15.897 ( 5.229 5.285 4.400) 8.639 15.996 ( -3.981 6.758 2.246) 8.159 16.617 ( 3.863 -8.458 -0.036) 9.298 16.738 ( -7.604 -9.647 -0.664) 12.302 16.985 ( 1.234 -8.617 0.710) 8.734 17.038 ( -4.031 -9.835 0.269) 10.632======================= Grid point 85 (31/72) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 0.000 21.843 9.541) 23.836 1.242 ( 0.000 22.012 6.426) 22.931 1.711 ( 0.000 11.759 -8.567) 14.549 1.774 ( 0.000 8.264 -8.202) 11.643 2.171 ( 0.000 -0.525 6.069) 6.092 2.208 ( 0.000 13.189 -8.030) 15.441 2.299 ( 0.000 7.880 -2.775) 8.354 2.403 ( 0.000 1.914 -1.343) 2.338 2.493 ( 0.000 39.723 13.499) 41.954 2.609 ( 0.000 5.995 -3.899) 7.151 2.652 ( 0.000 19.326 3.773) 19.691 2.669 ( 0.000 -0.155 -6.853) 6.854 2.829 ( 0.000 18.817 -3.036) 19.060 2.854 ( 0.000 11.862 6.173) 13.372 2.897 ( 0.000 18.540 1.788) 18.626 3.021 ( 0.000 21.282 -1.066) 21.308 3.140 ( 0.000 20.539 5.023) 21.144 3.195 ( 0.000 10.324 0.997) 10.372 3.335 ( 0.000 9.029 0.087) 9.030 3.345 ( 0.000 20.975 -8.180) 22.514 3.589 ( 0.000 12.090 11.095) 16.410 3.784 ( 0.000 17.601 -10.879) 20.691 3.859 ( 0.000 7.080 2.358) 7.462 3.901 ( 0.000 11.642 6.776) 13.470 3.981 ( 0.000 23.697 -7.297) 24.795 4.119 ( 0.000 10.726 -7.800) 13.262 4.152 ( 0.000 3.401 -9.727) 10.304 4.410 ( 0.000 4.617 11.086) 12.009 4.513 ( 0.000 -1.152 -4.922) 5.055 4.658 ( 0.000 -3.490 7.643) 8.402 4.659 ( 0.000 -0.054 8.500) 8.500 4.762 ( 0.000 -3.535 -7.916) 8.669 5.075 ( 0.000 1.130 5.059) 5.184 5.309 ( 0.000 -6.245 -4.088) 7.464 5.481 ( 0.000 5.674 0.786) 5.728 5.558 ( 0.000 -0.750 -1.516) 1.691 5.643 ( 0.000 -1.461 6.735) 6.891 5.733 ( 0.000 -3.221 0.806) 3.320 5.862 ( 0.000 -6.356 -0.553) 6.380 6.113 ( 0.000 -9.229 -6.394) 11.228 6.691 ( 0.000 -3.811 3.672) 5.293 6.885 ( 0.000 -4.121 -5.087) 6.546 7.046 ( 0.000 8.929 2.289) 9.218 7.137 ( 0.000 -1.993 2.542) 3.230 7.640 ( 0.000 -0.592 -6.642) 6.668 7.665 ( 0.000 14.235 -13.544) 19.649 7.742 ( 0.000 14.809 -1.852) 14.924 7.820 ( 0.000 16.011 -3.506) 16.390 7.912 ( 0.000 25.216 2.774) 25.368 7.958 ( 0.000 23.312 0.904) 23.329 8.230 ( 0.000 0.271 13.739) 13.742 8.538 ( 0.000 1.024 4.951) 5.056 8.583 ( 0.000 -3.282 -5.963) 6.806 8.812 ( 0.000 15.785 -2.096) 15.924 8.813 ( 0.000 -3.703 6.551) 7.525 9.341 ( 0.000 -2.814 -13.516) 13.806 9.497 ( 0.000 -7.440 1.757) 7.645 9.607 ( 0.000 5.135 -1.260) 5.287 9.666 ( 0.000 -0.816 3.189) 3.292 9.762 ( 0.000 11.351 -0.737) 11.375 10.037 ( 0.000 -5.899 5.061) 7.772 10.205 ( 0.000 1.756 -2.338) 2.924 10.842 ( 0.000 0.622 4.506) 4.548 11.211 ( 0.000 -5.702 -10.614) 12.049 11.565 ( 0.000 -16.379 9.598) 18.984 11.874 ( 0.000 -20.059 -5.475) 20.793 12.057 ( 0.000 -0.989 1.297) 1.631 12.088 ( 0.000 -1.547 2.258) 2.737 12.594 ( 0.000 -7.994 -2.028) 8.247 12.595 ( 0.000 0.601 -0.540) 0.808 12.688 ( 0.000 -13.337 2.814) 13.631 12.813 ( 0.000 -11.379 3.568) 11.926 12.872 ( 0.000 -2.179 3.024) 3.727 12.891 ( 0.000 -9.357 3.900) 10.137 13.104 ( 0.000 -9.749 -4.573) 10.768 13.175 ( 0.000 -10.433 -3.574) 11.028 15.292 ( 0.000 15.145 0.718) 15.162 15.466 ( 0.000 13.508 -7.529) 15.465 15.853 ( 0.000 3.265 4.825) 5.826 16.159 ( 0.000 2.819 -10.481) 10.853 16.407 ( 0.000 -11.745 2.998) 12.121 16.561 ( 0.000 -16.498 -2.253) 16.651 16.808 ( 0.000 -18.866 7.407) 20.268 16.872 ( 0.000 -17.474 1.405) 17.530======================= Grid point 86 (32/72) =======================q-point: ( 0.20 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( -1.200 21.081 9.463) 23.139 1.356 ( 8.935 18.660 7.293) 21.936 1.636 ( 0.163 9.611 -8.661) 12.939 1.898 ( 3.930 8.595 -7.965) 12.359 2.141 ( -8.522 7.579 -6.476) 13.115 2.197 ( -6.521 7.008 -4.526) 10.589 2.270 ( 6.322 4.102 7.253) 10.459 2.487 ( 4.706 4.277 1.217) 6.474 2.507 ( -7.119 7.585 -0.798) 10.433 2.619 ( 5.109 15.608 0.636) 16.435 2.629 ( 6.771 25.803 7.621) 27.744 2.738 ( 5.576 11.979 -2.136) 13.385 2.795 ( 0.064 16.661 -0.294) 16.663 2.822 ( -5.506 17.406 2.580) 18.437 2.932 ( -2.230 20.908 -0.579) 21.034 2.972 ( 5.032 15.020 -1.448) 15.906 3.192 ( 2.285 17.867 2.282) 18.156 3.264 ( 0.503 9.466 4.770) 10.612 3.330 ( 3.792 15.204 -2.278) 15.834 3.404 ( 4.485 16.541 -2.967) 17.393 3.573 ( -1.330 10.848 8.907) 14.099 3.709 ( -7.001 11.608 -0.261) 13.559 3.830 ( -2.232 15.755 -3.038) 16.200 3.895 ( -5.210 8.566 -7.658) 12.616 3.923 ( -1.615 18.105 0.763) 18.193 4.075 ( -0.732 16.964 -7.552) 18.584 4.160 ( -4.358 7.267 -6.050) 10.412 4.307 ( -7.752 3.077 -6.257) 10.426 4.473 ( -0.421 -2.545 8.257) 8.651 4.666 ( 1.326 2.338 7.074) 7.567 4.690 ( 2.428 -2.900 3.580) 5.208 4.865 ( 3.120 -3.650 -5.305) 7.155 5.081 ( 0.292 -0.664 3.692) 3.763 5.229 ( -3.200 -3.782 1.551) 5.191 5.423 ( -2.069 5.260 2.368) 6.128 5.547 ( -3.308 1.103 -2.796) 4.469 5.638 ( -0.177 -1.636 1.028) 1.940 5.791 ( 2.080 -3.647 -2.446) 4.859 5.911 ( 7.048 -7.092 4.649) 11.027 6.165 ( 3.000 -9.557 -4.725) 11.075 6.872 ( 14.831 -3.334 1.429) 15.268 6.976 ( 7.488 -3.210 -2.985) 8.677 7.085 ( 4.782 9.326 3.153) 10.945 7.150 ( 1.448 3.889 2.290) 4.740 7.513 ( -9.721 9.856 -3.482) 14.275 7.677 ( -3.921 10.022 -4.796) 11.782 7.711 ( 0.854 4.609 -5.089) 6.919 7.864 ( -0.638 19.627 -1.849) 19.724 7.934 ( 0.747 19.721 0.017) 19.735 7.983 ( 7.067 15.039 -2.829) 16.856 8.323 ( 7.434 0.596 6.860) 10.133 8.480 ( -3.103 -3.073 -0.464) 4.392 8.603 ( 0.297 4.197 1.088) 4.346 8.766 ( 2.222 3.763 3.987) 5.915 8.949 ( 7.185 3.894 -0.462) 8.185 9.318 ( -2.548 0.041 -8.439) 8.815 9.474 ( -1.787 -4.400 -0.626) 4.790 9.535 ( -7.171 6.557 -1.671) 9.860 9.580 ( -7.657 0.880 3.055) 8.291 9.728 ( -4.330 7.280 -2.697) 8.890 9.969 ( -4.832 -4.146 6.658) 9.212 10.126 ( -6.427 0.433 0.185) 6.444 10.906 ( 5.968 0.828 4.733) 7.662 11.226 ( 0.314 -4.996 -7.165) 8.741 11.622 ( 5.714 -11.331 5.298) 13.752 11.877 ( 0.145 -14.971 -5.885) 16.087 12.015 ( -2.894 -2.457 3.010) 4.845 12.106 ( -0.571 -0.686 1.073) 1.395 12.443 ( -9.997 -9.127 -0.273) 13.540 12.517 ( -4.565 -0.490 -1.168) 4.738 12.653 ( -5.895 -11.926 1.849) 13.431 12.705 ( -6.968 -9.739 1.973) 12.136 12.920 ( 6.128 -12.293 2.499) 13.961 12.966 ( 4.551 -7.564 3.068) 9.346 13.156 ( 2.031 -10.136 -3.323) 10.859 13.235 ( 4.227 -9.797 -2.661) 10.997 15.328 ( 3.433 14.377 0.605) 14.794 15.473 ( 0.475 12.647 -6.172) 14.080 15.894 ( 3.861 3.169 4.723) 6.874 16.164 ( -0.312 3.112 -6.495) 7.209 16.377 ( -1.757 -12.964 2.495) 13.319 16.569 ( -1.221 -16.263 -1.848) 16.413 16.762 ( -2.480 -15.418 4.463) 16.242 16.837 ( -2.936 -16.551 0.841) 16.830======================= Grid point 87 (33/72) =======================q-point: ( 0.40 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 16.425 11.568 9.466) 22.208 1.563 ( 9.839 13.070 5.804) 17.358 1.633 ( -8.865 8.546 -0.548) 12.325 1.753 ( -12.025 8.302 5.215) 15.515 2.019 ( 1.488 6.753 -9.189) 11.500 2.128 ( -4.093 6.144 -15.562) 17.225 2.304 ( -0.176 9.289 -7.785) 12.121 2.411 ( -5.096 8.820 -4.858) 11.285 2.566 ( 7.309 11.009 8.733) 15.839 2.685 ( 4.697 13.144 2.636) 14.205 2.711 ( -4.092 12.919 6.440) 15.004 2.781 ( 1.636 12.078 1.022) 12.231 2.790 ( -0.305 20.022 0.303) 20.027 2.890 ( -3.198 14.401 -0.069) 14.752 3.014 ( 12.677 19.346 2.202) 23.235 3.051 ( 5.268 13.978 -2.022) 15.074 3.220 ( 4.340 14.341 4.241) 15.572 3.312 ( 3.387 15.059 2.625) 15.657 3.349 ( -1.555 12.516 0.626) 12.628 3.461 ( -8.883 11.047 2.957) 14.481 3.545 ( 4.232 15.831 -3.112) 16.680 3.603 ( -2.526 8.921 2.262) 9.544 3.724 ( -5.033 13.190 2.300) 14.304 3.764 ( -6.503 13.829 -1.564) 15.362 3.911 ( 0.507 14.936 0.195) 14.946 3.992 ( -8.198 9.161 -0.144) 12.294 4.109 ( 4.696 16.081 -12.201) 20.724 4.209 ( -3.641 10.373 -13.578) 17.470 4.529 ( 4.647 -2.513 1.397) 5.464 4.627 ( -4.424 2.117 -1.303) 5.075 4.737 ( 1.471 -1.300 5.616) 5.949 4.796 ( -5.517 -1.921 0.284) 5.849 5.145 ( 5.075 -1.867 5.049) 7.398 5.217 ( -1.187 -1.443 5.508) 5.816 5.432 ( 2.209 3.676 2.325) 4.878 5.475 ( -2.408 2.937 2.686) 4.652 5.677 ( 3.163 -3.510 -4.639) 6.622 5.754 ( -3.945 -3.963 -5.428) 7.793 6.083 ( 7.694 -8.061 3.115) 11.571 6.182 ( -1.853 -8.903 -0.888) 9.137 7.097 ( 7.115 5.528 -0.044) 9.010 7.125 ( 5.514 -0.998 -0.453) 5.622 7.180 ( 1.271 12.367 0.977) 12.470 7.250 ( 1.232 18.492 -1.315) 18.579 7.348 ( 2.768 -1.425 5.829) 6.609 7.547 ( -8.972 3.894 2.397) 10.070 7.747 ( 2.738 7.850 -4.707) 9.554 7.817 ( -3.526 14.241 -1.279) 14.726 7.961 ( 3.421 11.762 -4.002) 12.886 8.048 ( -3.085 6.270 -8.279) 10.834 8.457 ( 1.482 -0.481 -0.397) 1.608 8.472 ( 1.471 -1.674 -0.316) 2.251 8.689 ( 14.182 2.562 5.308) 15.358 8.932 ( 13.271 3.719 2.102) 13.941 8.986 ( -8.029 -2.714 -2.842) 8.939 9.246 ( -12.869 2.941 -2.980) 13.533 9.305 ( -1.238 9.414 5.267) 10.858 9.423 ( -7.267 7.949 2.064) 10.966 9.491 ( 2.268 0.992 -6.650) 7.096 9.591 ( -7.264 4.188 -4.840) 9.682 9.932 ( 1.333 -1.970 6.958) 7.353 10.002 ( -5.256 -1.484 4.054) 6.801 11.057 ( 8.233 0.499 4.367) 9.333 11.192 ( -4.291 -2.384 0.670) 4.954 11.760 ( 7.308 -2.777 -2.171) 8.114 11.878 ( -1.575 -3.296 -4.783) 6.019 11.943 ( -2.210 -6.450 -1.378) 6.956 12.020 ( -7.071 -3.518 -4.417) 9.049 12.340 ( 1.743 -12.026 5.152) 13.198 12.443 ( -6.036 -7.777 5.291) 11.176 12.550 ( 1.219 -11.815 -0.053) 11.877 12.623 ( -4.188 -10.349 0.333) 11.169 13.008 ( 2.326 -11.288 1.472) 11.619 13.020 ( 0.997 -10.529 0.443) 10.586 13.214 ( 3.550 -10.620 -1.358) 11.280 13.268 ( -1.035 -9.982 -2.283) 10.292 15.412 ( 4.194 12.614 -0.462) 13.301 15.470 ( -1.282 11.804 -3.134) 12.280 15.994 ( 5.803 2.995 4.535) 7.951 16.110 ( -5.044 3.253 2.276) 6.419 16.386 ( 3.054 -13.959 -1.329) 14.350 16.483 ( -5.880 -14.973 -0.998) 16.117 16.756 ( 1.004 -13.395 -0.326) 13.437 16.784 ( -1.957 -14.325 -0.470) 14.466======================= Grid point 90 (34/72) =======================q-point: ( 0.00 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 0.000 17.467 3.449) 17.805 1.632 ( 0.000 16.128 -1.141) 16.168 1.987 ( 0.000 12.963 -5.081) 13.923 1.991 ( 0.000 15.816 -1.117) 15.856 2.194 ( 0.000 3.270 5.247) 6.183 2.343 ( 0.000 1.812 -2.153) 2.814 2.413 ( 0.000 6.611 -5.581) 8.652 2.561 ( 0.000 12.167 -7.190) 14.133 2.641 ( 0.000 0.386 -9.636) 9.644 2.651 ( 0.000 -0.453 -6.823) 6.838 2.949 ( 0.000 1.895 9.234) 9.426 3.052 ( 0.000 7.778 4.274) 8.875 3.071 ( 0.000 17.721 4.846) 18.372 3.277 ( 0.000 15.499 0.980) 15.530 3.337 ( 0.000 19.332 4.620) 19.877 3.395 ( 0.000 17.631 -1.559) 17.700 3.449 ( 0.000 11.366 3.898) 12.015 3.521 ( 0.000 32.203 5.980) 32.753 3.618 ( 0.000 18.714 4.663) 19.287 3.692 ( 0.000 5.218 12.476) 13.524 3.774 ( 0.000 13.128 -8.522) 15.652 3.941 ( 0.000 3.656 3.736) 5.227 4.187 ( 0.000 17.221 2.473) 17.397 4.196 ( 0.000 16.584 -8.076) 18.446 4.311 ( 0.000 12.411 -1.465) 12.497 4.416 ( 0.000 11.171 -9.368) 14.579 4.432 ( 0.000 9.752 4.294) 10.655 4.488 ( 0.000 1.835 -5.279) 5.589 4.491 ( 0.000 10.479 0.577) 10.495 4.727 ( 0.000 13.268 2.131) 13.438 4.740 ( 0.000 7.821 -0.528) 7.838 4.754 ( 0.000 5.576 -8.634) 10.278 5.166 ( 0.000 9.824 1.192) 9.896 5.186 ( 0.000 -5.246 -0.623) 5.283 5.541 ( 0.000 -2.714 3.607) 4.514 5.618 ( 0.000 1.096 9.038) 9.104 5.641 ( 0.000 9.373 -1.012) 9.427 5.655 ( 0.000 -3.506 2.111) 4.093 5.806 ( 0.000 0.906 -3.659) 3.770 5.987 ( 0.000 -3.679 -5.879) 6.936 6.639 ( 0.000 -0.737 2.045) 2.174 6.806 ( 0.000 -2.787 -5.819) 6.452 7.086 ( 0.000 -2.199 5.988) 6.379 7.158 ( 0.000 4.522 2.668) 5.250 7.616 ( 0.000 -1.547 -4.066) 4.351 7.809 ( 0.000 3.079 -9.203) 9.704 7.949 ( 0.000 2.764 2.424) 3.677 8.112 ( 0.000 8.996 -4.674) 10.137 8.314 ( 0.000 7.696 10.238) 12.808 8.350 ( 0.000 16.590 3.424) 16.940 8.433 ( 0.000 21.540 -0.721) 21.552 8.517 ( 0.000 -0.945 6.342) 6.412 8.554 ( 0.000 3.303 -3.359) 4.711 8.774 ( 0.000 -0.199 5.835) 5.838 9.030 ( 0.000 1.687 -10.287) 10.424 9.269 ( 0.000 -3.198 -16.635) 16.940 9.457 ( 0.000 5.216 4.813) 7.098 9.715 ( 0.000 4.539 11.091) 11.984 9.756 ( 0.000 8.108 -6.162) 10.183 9.900 ( 0.000 -6.043 7.923) 9.964 9.960 ( 0.000 8.726 -1.554) 8.863 10.213 ( 0.000 -0.830 -5.035) 5.103 10.879 ( 0.000 2.951 3.332) 4.450 11.067 ( 0.000 -8.447 -3.818) 9.270 11.278 ( 0.000 -12.395 5.782) 13.678 11.589 ( 0.000 -7.155 -7.818) 10.598 11.978 ( 0.000 -6.179 3.896) 7.304 12.058 ( 0.000 -2.114 5.541) 5.930 12.318 ( 0.000 -18.704 -0.699) 18.717 12.423 ( 0.000 -14.489 3.292) 14.858 12.482 ( 0.000 -12.540 5.991) 13.898 12.566 ( 0.000 -10.015 -5.209) 11.289 12.619 ( 0.000 -11.828 -1.638) 11.941 12.887 ( 0.000 -15.148 -6.261) 16.391 13.027 ( 0.000 0.073 0.647) 0.651 13.038 ( 0.000 9.978 0.041) 9.978 15.495 ( 0.000 5.664 1.483) 5.855 15.681 ( 0.000 8.239 -6.853) 10.717 15.830 ( 0.000 -6.869 5.601) 8.863 16.106 ( 0.000 -10.278 -5.595) 11.702 16.159 ( 0.000 -12.753 2.196) 12.941 16.231 ( 0.000 -14.253 0.410) 14.259 16.464 ( 0.000 -14.010 3.940) 14.553 16.576 ( 0.000 -9.951 -1.049) 10.006======================= Grid point 91 (35/72) =======================q-point: ( 0.20 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -3.669 20.238 2.973) 20.782 1.668 ( 3.886 12.329 -2.171) 13.108 1.895 ( -0.114 14.613 0.419) 14.620 2.099 ( 2.122 11.568 -6.603) 13.487 2.233 ( -9.120 4.293 -0.008) 10.080 2.302 ( 5.247 5.193 1.894) 7.622 2.458 ( -0.165 11.276 -5.886) 12.721 2.525 ( 5.692 2.269 0.013) 6.128 2.540 ( -7.667 0.541 -4.311) 8.813 2.758 ( 5.406 4.612 -8.010) 10.708 2.862 ( 0.446 2.096 2.078) 2.985 3.071 ( 1.717 17.077 2.535) 17.349 3.142 ( -9.261 10.573 3.155) 14.405 3.252 ( 4.399 5.136 -0.333) 6.770 3.312 ( -0.585 13.402 3.111) 13.771 3.381 ( -1.050 21.002 4.735) 21.554 3.434 ( -0.254 17.850 3.312) 18.157 3.546 ( 2.969 25.358 6.822) 26.427 3.653 ( 1.113 10.009 2.749) 10.439 3.682 ( -3.124 9.965 1.151) 10.507 3.835 ( 7.370 18.287 0.115) 19.716 3.909 ( -3.018 8.911 2.397) 9.708 4.115 ( -5.662 15.699 3.253) 17.003 4.145 ( -5.813 9.878 -3.529) 11.992 4.273 ( -1.316 16.223 -2.652) 16.491 4.366 ( -2.288 12.794 -2.412) 13.219 4.427 ( 0.395 3.760 -2.595) 4.586 4.448 ( -5.228 6.747 2.979) 9.040 4.517 ( 0.868 16.771 -4.691) 17.436 4.734 ( 2.911 10.225 -6.236) 12.326 4.774 ( 3.309 7.783 1.127) 8.532 4.857 ( 2.633 5.734 -4.054) 7.500 5.144 ( -0.452 7.627 0.938) 7.697 5.176 ( 1.433 1.786 -0.333) 2.314 5.546 ( -2.344 5.640 2.853) 6.741 5.598 ( -1.012 4.426 1.704) 4.849 5.657 ( 1.955 1.223 1.949) 3.019 5.699 ( 4.462 -3.559 3.608) 6.753 5.804 ( -0.149 -2.279 -1.553) 2.762 5.997 ( 0.539 -6.801 -5.279) 8.626 6.794 ( 13.256 -2.747 1.956) 13.678 6.926 ( 10.544 -1.490 -4.168) 11.435 7.144 ( 6.412 1.211 6.286) 9.060 7.253 ( 7.980 4.436 2.449) 9.452 7.566 ( -4.455 -1.223 -3.456) 5.770 7.793 ( -2.298 2.126 -7.947) 8.541 7.839 ( -8.039 4.854 3.762) 10.117 8.097 ( -3.738 4.077 -6.511) 8.543 8.309 ( -2.123 14.198 2.971) 14.659 8.368 ( 2.946 10.292 3.693) 11.325 8.395 ( -3.684 12.199 0.953) 12.779 8.437 ( -1.019 2.847 -0.281) 3.037 8.699 ( 5.512 6.787 3.030) 9.254 8.762 ( 3.160 -0.193 6.965) 7.651 9.039 ( -0.281 -0.648 -10.160) 10.185 9.305 ( 2.817 -2.775 -15.446) 15.945 9.454 ( -0.431 4.281 4.505) 6.229 9.635 ( -6.489 7.793 8.186) 13.032 9.731 ( -3.357 7.281 -3.765) 8.858 9.810 ( -6.920 -0.574 4.395) 8.217 9.953 ( -0.855 5.873 2.350) 6.383 10.125 ( -6.969 -0.333 -1.389) 7.114 10.928 ( 4.611 1.532 2.918) 5.668 11.095 ( 1.446 -7.416 -3.722) 8.423 11.386 ( 10.181 -11.623 2.966) 15.734 11.642 ( 4.924 -6.801 -7.963) 11.572 11.931 ( -3.470 -5.478 4.305) 7.783 12.076 ( 0.177 -3.042 2.130) 3.718 12.237 ( -6.479 -11.980 4.773) 14.431 12.363 ( -4.729 -17.106 2.179) 17.881 12.456 ( -5.173 -10.984 -0.593) 12.156 12.503 ( -7.722 -6.771 1.144) 10.334 12.658 ( 7.470 -11.807 -3.493) 14.401 12.854 ( -2.672 -11.618 -5.413) 13.093 12.964 ( -0.589 -4.251 4.037) 5.892 13.118 ( 1.641 1.071 -2.471) 3.153 15.529 ( 3.169 6.095 1.025) 6.945 15.674 ( -0.541 7.243 -5.234) 8.953 15.868 ( 3.445 -6.703 4.554) 8.806 16.082 ( -1.526 -14.641 -2.518) 14.934 16.144 ( -1.087 -8.014 1.715) 8.268 16.241 ( -1.196 -15.268 0.392) 15.320 16.472 ( 1.355 -11.842 1.550) 12.019 16.559 ( -1.312 -9.125 -1.223) 9.300======================= Grid point 92 (36/72) =======================q-point: ( 0.40 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 6.989 15.869 4.434) 17.898 1.735 ( -2.580 8.070 -2.221) 8.759 1.920 ( -0.508 13.963 1.764) 14.083 1.936 ( -6.895 9.710 4.494) 12.729 2.181 ( 2.110 9.689 -9.246) 13.558 2.268 ( -6.459 8.450 -11.217) 15.458 2.487 ( 3.126 8.527 -6.069) 10.923 2.543 ( 3.947 7.219 0.120) 8.228 2.678 ( 6.498 2.940 5.419) 8.957 2.825 ( 3.153 3.572 -6.138) 7.770 2.904 ( -6.283 4.576 4.127) 8.800 2.922 ( -2.509 3.838 5.052) 6.822 3.165 ( 6.794 12.730 1.499) 14.507 3.244 ( -1.281 7.649 1.783) 7.958 3.263 ( -3.566 19.356 1.343) 19.727 3.343 ( -5.626 8.653 -0.478) 10.332 3.499 ( 4.695 12.483 0.715) 13.356 3.574 ( -2.995 8.980 -0.340) 9.472 3.616 ( 1.613 11.702 -2.786) 12.136 3.678 ( -0.577 10.915 2.581) 11.231 3.865 ( 1.105 18.651 3.313) 18.976 3.955 ( -2.279 20.035 2.504) 20.319 4.042 ( 2.220 20.569 6.386) 21.651 4.070 ( 2.576 15.901 2.675) 16.329 4.222 ( -4.529 15.730 -1.072) 16.404 4.246 ( -9.777 17.210 3.149) 20.042 4.394 ( 3.215 6.489 1.192) 7.339 4.453 ( -1.424 3.672 -0.401) 3.959 4.577 ( 6.531 11.933 -8.042) 15.803 4.720 ( -5.561 5.946 -6.439) 10.380 4.824 ( 1.727 12.571 -4.828) 13.576 4.854 ( -1.040 10.317 -4.819) 11.435 5.185 ( 4.087 8.421 3.900) 10.140 5.232 ( 1.031 5.081 3.205) 6.095 5.539 ( 1.408 6.134 2.546) 6.789 5.568 ( -1.064 5.718 2.737) 6.428 5.669 ( 0.343 3.867 -2.319) 4.522 5.706 ( -3.101 -0.191 -3.003) 4.321 5.888 ( 6.488 -11.309 1.998) 13.190 5.982 ( -2.556 -10.759 -2.030) 11.244 7.062 ( 11.306 -3.337 1.770) 11.921 7.130 ( 6.450 1.069 -0.965) 6.609 7.318 ( 6.971 2.530 4.876) 8.875 7.370 ( 0.076 2.958 6.101) 6.781 7.505 ( 2.706 5.393 -3.404) 6.928 7.649 ( -7.849 5.359 4.748) 10.624 7.792 ( 1.921 0.128 -10.081) 10.263 7.936 ( -10.150 -0.829 -6.786) 12.238 8.269 ( -1.345 14.293 1.004) 14.391 8.295 ( -3.934 13.692 0.535) 14.256 8.445 ( 2.407 0.742 0.116) 2.521 8.464 ( 1.209 0.891 0.098) 1.504 8.762 ( 7.429 4.829 1.822) 9.045 8.925 ( -0.335 -0.218 1.723) 1.769 9.009 ( 5.271 1.278 -4.016) 6.749 9.245 ( -11.685 -1.991 -2.389) 12.092 9.466 ( 4.712 0.489 -1.857) 5.088 9.581 ( -1.260 10.429 -1.199) 10.573 9.620 ( -3.208 5.172 1.860) 6.364 9.693 ( -5.058 10.238 0.001) 11.420 9.945 ( 0.663 4.229 4.485) 6.200 9.998 ( -4.786 1.831 3.053) 5.965 11.035 ( 5.066 -2.081 1.282) 5.625 11.101 ( -1.234 -5.713 -1.237) 5.975 11.627 ( 12.475 -9.466 -2.364) 15.837 11.750 ( 3.681 -7.602 -7.597) 11.360 11.870 ( -2.086 -2.290 1.352) 3.380 11.957 ( -11.065 -1.571 -2.170) 11.385 12.169 ( 0.745 -7.484 8.071) 11.032 12.232 ( -5.601 -14.376 5.979) 16.547 12.377 ( -1.761 -9.662 1.401) 9.921 12.392 ( -3.587 -10.662 1.213) 11.314 12.778 ( 3.410 -11.172 -4.646) 12.571 12.815 ( -1.253 -11.194 -4.250) 12.040 12.997 ( 4.045 -8.845 2.961) 10.167 13.091 ( -3.922 -5.195 -1.313) 6.640 15.603 ( 3.606 6.381 -0.353) 7.337 15.656 ( -1.546 6.360 -2.646) 7.060 15.954 ( 4.923 -7.655 4.172) 10.012 16.047 ( -3.329 -12.294 4.110) 13.383 16.125 ( 0.742 -9.529 -2.242) 9.817 16.180 ( -3.797 -14.844 -0.400) 15.327 16.510 ( 1.815 -9.297 -0.941) 9.519 16.536 ( -0.954 -8.473 -1.322) 8.628======================= Grid point 95 (37/72) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 0.000 10.448 -1.001) 10.496 1.877 ( 0.000 8.685 -2.370) 9.002 2.279 ( 0.000 15.140 -0.160) 15.141 2.289 ( 0.000 11.095 3.294) 11.574 2.332 ( 0.000 12.320 2.463) 12.564 2.380 ( 0.000 2.916 0.310) 2.932 2.536 ( 0.000 4.083 -6.928) 8.042 2.614 ( 0.000 -1.316 -7.929) 8.037 2.693 ( 0.000 6.273 -3.426) 7.148 2.824 ( 0.000 11.417 -8.262) 14.093 2.929 ( 0.000 -2.136 9.039) 9.288 3.108 ( 0.000 1.258 7.451) 7.557 3.370 ( 0.000 10.577 8.303) 13.446 3.405 ( 0.000 -0.013 -5.300) 5.300 3.524 ( 0.000 5.367 -5.233) 7.496 3.541 ( 0.000 -4.178 7.488) 8.575 3.753 ( 0.000 13.086 4.617) 13.876 3.818 ( 0.000 10.410 -0.638) 10.429 3.862 ( 0.000 1.555 -0.309) 1.585 3.908 ( 0.000 7.039 6.970) 9.906 4.070 ( 0.000 11.193 1.791) 11.336 4.286 ( 0.000 1.085 -6.083) 6.179 4.298 ( 0.000 21.014 5.780) 21.794 4.417 ( 0.000 12.257 6.845) 14.039 4.427 ( 0.000 1.619 1.824) 2.439 4.556 ( 0.000 14.222 -0.972) 14.255 4.557 ( 0.000 3.586 -6.865) 7.746 4.735 ( 0.000 14.642 -5.019) 15.478 4.869 ( 0.000 13.432 -0.570) 13.444 4.905 ( 0.000 8.211 -5.712) 10.003 4.982 ( 0.000 16.421 -3.687) 16.830 5.025 ( 0.000 15.303 -7.265) 16.940 5.135 ( 0.000 0.468 4.283) 4.309 5.353 ( 0.000 -2.901 0.505) 2.944 5.572 ( 0.000 15.644 6.227) 16.838 5.637 ( 0.000 3.580 6.153) 7.119 5.719 ( 0.000 7.066 -1.402) 7.203 5.846 ( 0.000 9.324 -5.212) 10.682 5.906 ( 0.000 10.342 1.041) 10.394 5.974 ( 0.000 4.250 -1.992) 4.694 6.675 ( 0.000 4.313 1.154) 4.465 6.801 ( 0.000 2.726 -5.148) 5.825 7.070 ( 0.000 0.702 7.234) 7.268 7.264 ( 0.000 5.818 0.417) 5.833 7.592 ( 0.000 -0.347 -0.226) 0.414 7.847 ( 0.000 1.541 -6.119) 6.310 7.911 ( 0.000 -4.175 4.672) 6.266 8.133 ( 0.000 -4.135 -5.385) 6.789 8.406 ( 0.000 0.681 8.436) 8.463 8.509 ( 0.000 2.256 8.094) 8.403 8.580 ( 0.000 5.162 2.991) 5.966 8.709 ( 0.000 10.095 -4.158) 10.918 8.770 ( 0.000 7.093 -6.895) 9.892 8.848 ( 0.000 6.762 2.832) 7.331 8.997 ( 0.000 3.273 -4.802) 5.811 9.185 ( 0.000 -6.721 -15.607) 16.993 9.563 ( 0.000 2.567 2.150) 3.348 9.706 ( 0.000 -4.103 13.163) 13.788 9.889 ( 0.000 5.240 -8.780) 10.225 9.989 ( 0.000 13.028 7.311) 14.940 10.108 ( 0.000 4.490 -0.281) 4.499 10.190 ( 0.000 -0.156 -5.917) 5.919 10.875 ( 0.000 -10.721 5.964) 12.269 10.940 ( 0.000 2.537 0.251) 2.550 11.071 ( 0.000 -8.055 4.044) 9.013 11.525 ( 0.000 -4.215 -11.857) 12.584 11.840 ( 0.000 -7.307 4.120) 8.389 11.914 ( 0.000 -12.405 -0.731) 12.427 12.041 ( 0.000 -8.547 8.331) 11.936 12.095 ( 0.000 -13.692 6.721) 15.253 12.211 ( 0.000 -13.776 1.522) 13.860 12.350 ( 0.000 -10.883 -2.178) 11.098 12.429 ( 0.000 -7.247 -4.391) 8.474 12.575 ( 0.000 -14.804 -6.775) 16.281 13.095 ( 0.000 5.280 2.314) 5.764 13.223 ( 0.000 7.868 -2.828) 8.361 15.511 ( 0.000 -6.926 1.019) 7.001 15.651 ( 0.000 -5.274 6.531) 8.394 15.742 ( 0.000 -9.352 -8.308) 12.510 15.836 ( 0.000 -8.240 -1.652) 8.404 15.896 ( 0.000 -13.048 0.666) 13.065 15.970 ( 0.000 -10.339 -2.048) 10.540 16.307 ( 0.000 -2.928 6.321) 6.967 16.490 ( 0.000 -0.329 -2.034) 2.060======================= Grid point 96 (38/72) =======================q-point: ( 0.20 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( -0.380 9.160 -3.748) 9.905 1.882 ( 0.462 11.778 -1.692) 11.908 2.151 ( -3.539 11.419 5.757) 13.268 2.325 ( -8.268 4.863 3.669) 10.270 2.352 ( 2.135 12.132 -1.818) 12.452 2.448 ( 4.909 9.518 -1.906) 10.878 2.553 ( -2.395 0.848 -6.125) 6.631 2.580 ( 8.253 4.561 -1.789) 9.598 2.678 ( -0.962 8.794 -4.276) 9.825 2.847 ( 1.882 4.030 -3.470) 5.641 2.918 ( 0.968 4.906 -1.631) 5.260 3.192 ( 0.385 -3.400 2.308) 4.127 3.255 ( -9.232 3.495 0.464) 9.883 3.335 ( -0.737 6.593 11.781) 13.521 3.515 ( -2.509 -3.069 6.164) 7.329 3.603 ( 4.121 8.184 -3.531) 9.820 3.726 ( -8.012 7.355 1.314) 10.955 3.784 ( 0.599 9.877 0.226) 9.898 3.841 ( -0.642 5.969 0.490) 6.023 3.948 ( 0.921 13.461 1.739) 13.604 4.108 ( 5.188 4.902 4.207) 8.285 4.147 ( -6.044 4.777 -2.149) 7.998 4.322 ( -3.946 8.124 -0.634) 9.054 4.379 ( -1.266 4.116 3.540) 5.575 4.464 ( 2.700 7.924 2.032) 8.615 4.491 ( -0.485 21.759 2.521) 21.910 4.621 ( 0.787 9.138 -0.473) 9.184 4.725 ( -0.925 13.145 -3.276) 13.578 4.855 ( -2.858 14.933 1.578) 15.286 4.896 ( -1.551 9.728 -5.514) 11.288 4.991 ( 5.051 10.700 -8.639) 14.651 5.079 ( 3.022 14.620 -8.781) 17.320 5.256 ( 9.440 6.600 3.255) 11.970 5.426 ( 6.205 0.424 -0.044) 6.220 5.569 ( -0.126 8.632 6.893) 11.047 5.640 ( 0.540 6.641 5.037) 8.352 5.706 ( -0.990 6.089 -0.505) 6.189 5.835 ( -1.006 8.386 -4.168) 9.418 5.878 ( -2.501 11.128 1.180) 11.466 5.945 ( -2.911 4.616 -2.155) 5.867 6.791 ( 10.316 2.657 1.883) 10.818 6.926 ( 11.347 1.721 -4.503) 12.329 7.171 ( 9.401 1.311 6.543) 11.528 7.352 ( 8.166 5.525 1.047) 9.915 7.546 ( -4.355 0.146 0.261) 4.365 7.801 ( -4.372 -0.042 -2.947) 5.273 7.874 ( -3.162 -0.549 1.373) 3.491 8.065 ( -7.171 -4.492 -4.806) 9.732 8.432 ( -1.248 2.691 6.986) 7.589 8.437 ( -0.040 0.197 3.891) 3.897 8.543 ( -2.784 5.177 1.757) 6.135 8.672 ( -5.393 7.816 -4.977) 10.721 8.840 ( 2.390 5.175 -1.542) 5.905 8.880 ( 5.886 10.260 0.017) 11.829 8.990 ( -0.760 0.899 -4.156) 4.319 9.210 ( 1.953 -7.144 -14.249) 16.059 9.521 ( -4.012 2.153 4.503) 6.404 9.671 ( -2.766 -4.407 11.090) 12.250 9.839 ( -4.824 6.501 -7.289) 10.894 9.920 ( -5.698 5.223 -0.814) 7.772 10.105 ( 0.151 8.101 3.916) 8.999 10.173 ( -0.780 7.290 1.577) 7.499 10.943 ( 3.630 -6.780 0.462) 7.705 10.961 ( 1.949 0.052 -0.091) 1.952 11.156 ( 9.442 -11.322 4.532) 15.423 11.552 ( 2.321 -6.712 -11.193) 13.257 11.792 ( -3.123 -9.486 3.480) 10.576 11.918 ( -1.133 -11.093 -0.602) 11.167 12.006 ( -4.096 -15.553 7.177) 17.612 12.070 ( -0.247 -4.547 7.774) 9.010 12.179 ( -3.259 -13.748 0.655) 14.144 12.382 ( -4.302 -5.817 -3.610) 8.086 12.453 ( 8.157 -9.133 -3.568) 12.754 12.581 ( 0.733 -12.364 -5.834) 13.691 12.963 ( -9.056 2.727 5.560) 10.971 13.203 ( -4.094 4.900 -4.276) 7.685 15.540 ( 2.479 -8.622 0.274) 8.976 15.680 ( 1.862 -2.063 3.252) 4.278 15.727 ( -0.443 -11.723 -4.003) 12.396 15.839 ( 0.371 -5.240 -2.174) 5.685 15.866 ( -0.684 -15.549 1.329) 15.621 16.000 ( 0.037 -7.768 -1.117) 7.848 16.333 ( 2.719 -3.253 4.345) 6.070 16.480 ( -0.978 -0.524 -1.604) 1.950======================= Grid point 97 (39/72) =======================q-point: ( 0.40 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 0.967 12.451 -1.563) 12.586 1.897 ( -0.807 7.858 -3.928) 8.822 2.115 ( -1.615 8.516 5.574) 10.305 2.146 ( -5.254 9.067 6.147) 12.149 2.402 ( 2.358 11.085 -6.387) 13.009 2.444 ( -2.168 8.685 -8.195) 12.136 2.623 ( 5.596 5.203 -4.702) 8.972 2.724 ( 8.489 4.201 5.169) 10.790 2.746 ( -1.978 8.842 -6.554) 11.183 2.871 ( 4.129 2.527 -3.722) 6.106 2.956 ( 2.576 2.131 1.323) 3.596 3.018 ( -10.699 7.249 6.266) 14.362 3.182 ( 1.767 -3.438 0.856) 3.959 3.353 ( -9.985 -3.840 -1.152) 10.760 3.413 ( 2.456 3.762 7.400) 8.657 3.531 ( -7.681 3.804 8.082) 11.781 3.710 ( 6.303 8.607 -3.307) 11.169 3.818 ( -3.075 7.886 -4.410) 9.544 3.834 ( 3.409 14.233 -0.944) 14.666 3.911 ( -3.451 14.603 -0.582) 15.016 4.067 ( 0.261 5.192 4.380) 6.798 4.157 ( -5.886 4.599 6.979) 10.223 4.316 ( 7.211 1.043 -3.390) 8.036 4.395 ( 0.497 -1.176 -2.955) 3.219 4.471 ( 1.906 11.222 4.772) 12.343 4.563 ( -1.710 17.628 3.026) 17.967 4.581 ( 1.739 17.019 4.316) 17.643 4.680 ( -4.238 17.366 3.109) 18.144 4.814 ( 0.472 15.516 -2.191) 15.677 4.856 ( -2.588 9.889 -4.091) 11.010 5.095 ( 3.676 11.113 -11.599) 16.479 5.121 ( 0.819 13.972 -10.926) 17.756 5.435 ( 7.233 9.884 3.479) 12.732 5.517 ( -0.120 18.285 2.893) 18.512 5.591 ( 3.351 -9.072 3.600) 10.319 5.647 ( -0.908 4.842 3.810) 6.228 5.714 ( 3.045 3.937 0.385) 4.992 5.799 ( -3.243 2.465 -3.490) 5.364 5.831 ( -0.947 12.716 0.817) 12.778 5.867 ( -4.002 9.554 -0.458) 10.368 7.027 ( 11.747 0.225 2.927) 12.108 7.146 ( 5.037 0.309 -0.951) 5.135 7.362 ( 6.112 1.229 2.751) 6.814 7.447 ( -1.172 5.856 3.289) 6.818 7.561 ( 9.410 1.810 -0.835) 9.619 7.708 ( -3.711 1.061 1.477) 4.133 7.790 ( -4.055 0.007 -3.139) 5.128 7.878 ( -9.699 -3.339 -2.942) 10.671 8.420 ( 0.336 1.154 1.952) 2.292 8.433 ( -1.398 0.720 1.856) 2.433 8.515 ( 0.225 5.167 0.288) 5.180 8.554 ( -4.596 7.451 -2.520) 9.110 8.875 ( 2.883 4.281 -4.265) 6.695 8.942 ( -2.597 1.026 -6.332) 6.920 9.037 ( 6.965 2.957 1.128) 7.651 9.183 ( -6.207 -3.426 -4.320) 8.302 9.486 ( 3.171 2.150 3.820) 5.410 9.595 ( -5.499 -1.346 4.801) 7.423 9.762 ( -0.646 3.359 -4.574) 5.711 9.811 ( -4.579 0.639 -3.674) 5.906 10.125 ( 1.637 12.973 6.934) 14.800 10.156 ( -1.217 12.488 5.658) 13.764 10.989 ( 1.382 -3.609 -0.955) 3.981 10.994 ( 0.842 -3.734 -1.002) 3.957 11.402 ( 12.685 -13.431 -0.659) 18.486 11.572 ( -2.612 -11.737 -8.196) 14.552 11.765 ( 1.090 -12.687 2.449) 12.967 11.832 ( -5.387 -18.459 0.796) 19.246 11.957 ( -0.610 -4.101 5.377) 6.790 12.005 ( -5.177 -6.785 4.398) 9.601 12.178 ( 3.486 -5.137 2.653) 6.751 12.276 ( -5.669 -3.463 -0.157) 6.645 12.565 ( 2.843 -9.957 -3.381) 10.893 12.610 ( -0.272 -6.508 -5.420) 8.474 12.884 ( 4.242 -3.468 4.291) 6.959 13.056 ( -9.676 -0.087 -3.134) 10.171 15.595 ( 2.836 -10.018 -1.196) 10.481 15.651 ( -2.735 -8.602 -2.902) 9.482 15.797 ( 4.571 -7.052 2.969) 8.913 15.849 ( -0.700 -9.681 2.660) 10.064 15.871 ( 2.150 -8.260 -2.346) 8.851 15.950 ( -4.331 -3.923 0.109) 5.844 16.400 ( 3.298 -3.059 1.196) 4.655 16.452 ( -1.889 -1.590 -0.518) 2.523======================= Grid point 100 (40/72) =======================q-point: ( 0.00 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 0.000 4.925 -0.824) 4.993 2.030 ( 0.000 6.620 -2.289) 7.004 2.430 ( 0.000 2.616 1.657) 3.097 2.476 ( 0.000 4.323 -1.470) 4.566 2.530 ( 0.000 3.147 -3.127) 4.437 2.532 ( 0.000 7.885 -0.092) 7.885 2.638 ( 0.000 8.736 -0.585) 8.756 2.648 ( 0.000 10.219 -1.464) 10.324 2.882 ( 0.000 -1.267 8.029) 8.128 2.886 ( 0.000 11.351 -2.264) 11.574 3.006 ( 0.000 5.470 -2.133) 5.871 3.153 ( 0.000 3.319 4.225) 5.373 3.334 ( 0.000 -6.147 -5.478) 8.234 3.399 ( 0.000 -7.665 9.752) 12.404 3.509 ( 0.000 4.224 0.486) 4.251 3.598 ( 0.000 1.692 -8.298) 8.468 3.855 ( 0.000 -1.776 2.657) 3.196 3.866 ( 0.000 -2.060 2.052) 2.907 3.893 ( 0.000 -2.689 1.004) 2.870 3.919 ( 0.000 -3.130 4.763) 5.700 4.281 ( 0.000 10.704 0.821) 10.735 4.342 ( 0.000 5.151 -3.651) 6.313 4.463 ( 0.000 7.797 3.102) 8.391 4.528 ( 0.000 6.588 2.328) 6.987 4.577 ( 0.000 0.397 -3.709) 3.730 4.649 ( 0.000 1.497 -6.321) 6.496 4.859 ( 0.000 -0.144 -1.203) 1.212 4.945 ( 0.000 13.439 -0.023) 13.439 4.988 ( 0.000 2.960 0.934) 3.104 5.136 ( 0.000 -2.415 4.792) 5.366 5.156 ( 0.000 7.270 4.376) 8.485 5.184 ( 0.000 15.327 -6.209) 16.536 5.379 ( 0.000 16.438 -4.894) 17.151 5.423 ( 0.000 14.840 -0.393) 14.845 5.706 ( 0.000 -0.588 2.169) 2.247 5.708 ( 0.000 1.393 6.485) 6.633 6.030 ( 0.000 18.905 -2.509) 19.070 6.064 ( 0.000 14.323 -3.401) 14.722 6.166 ( 0.000 11.957 -0.539) 11.969 6.188 ( 0.000 15.151 -0.127) 15.152 6.797 ( 0.000 7.287 2.144) 7.596 6.916 ( 0.000 8.122 -3.143) 8.708 7.097 ( 0.000 1.390 6.178) 6.332 7.345 ( 0.000 0.800 -3.451) 3.542 7.631 ( 0.000 4.896 4.090) 6.380 7.861 ( 0.000 0.857 2.112) 2.279 7.885 ( 0.000 2.145 -4.510) 4.994 8.037 ( 0.000 -4.224 -5.011) 6.554 8.395 ( 0.000 -0.980 5.498) 5.585 8.492 ( 0.000 -4.532 5.432) 7.074 8.669 ( 0.000 -7.584 -5.160) 9.173 8.710 ( 0.000 9.597 5.860) 11.245 8.924 ( 0.000 -3.306 -10.512) 11.019 8.980 ( 0.000 6.018 4.245) 7.365 9.011 ( 0.000 1.287 -9.529) 9.616 9.217 ( 0.000 13.195 -4.083) 13.813 9.577 ( 0.000 -0.686 8.158) 8.187 9.633 ( 0.000 -3.888 9.224) 10.009 9.972 ( 0.000 1.552 -8.139) 8.286 10.092 ( 0.000 -1.666 -7.418) 7.602 10.225 ( 0.000 8.120 0.042) 8.120 10.240 ( 0.000 1.583 -0.982) 1.863 10.682 ( 0.000 -6.337 13.989) 15.357 10.956 ( 0.000 -3.856 3.098) 4.947 10.962 ( 0.000 -0.834 -2.636) 2.765 11.273 ( 0.000 -15.598 -5.877) 16.669 11.607 ( 0.000 -24.955 7.532) 26.067 11.654 ( 0.000 -13.036 3.129) 13.406 11.897 ( 0.000 6.116 -0.594) 6.144 11.954 ( 0.000 -9.778 -2.205) 10.023 12.065 ( 0.000 1.032 4.099) 4.226 12.199 ( 0.000 -3.753 -0.275) 3.763 12.312 ( 0.000 -4.834 -4.346) 6.500 12.315 ( 0.000 -11.075 -4.909) 12.114 13.205 ( 0.000 5.278 2.480) 5.832 13.340 ( 0.000 3.773 -2.801) 4.698 15.289 ( 0.000 -11.074 0.602) 11.090 15.453 ( 0.000 -14.273 -3.973) 14.816 15.600 ( 0.000 -5.836 4.008) 7.080 15.622 ( 0.000 -11.434 -1.056) 11.483 15.706 ( 0.000 -2.252 0.842) 2.404 15.923 ( 0.000 -0.059 -7.309) 7.309 16.300 ( 0.000 1.812 8.240) 8.437 16.500 ( 0.000 0.398 -1.750) 1.795======================= Grid point 101 (41/72) =======================q-point: ( 0.20 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 0.274 5.537 -1.636) 5.780 2.047 ( 1.125 5.655 -2.395) 6.244 2.334 ( -6.399 3.873 2.909) 8.025 2.439 ( -6.192 7.378 6.593) 11.672 2.528 ( 0.719 3.725 -3.218) 4.974 2.581 ( 5.001 4.408 -2.440) 7.099 2.656 ( 1.948 7.882 -5.212) 9.648 2.674 ( 2.905 6.931 -1.912) 7.755 2.834 ( 1.368 7.080 -0.126) 7.212 2.956 ( -1.541 6.115 -0.686) 6.344 3.000 ( 0.739 2.526 -1.656) 3.110 3.169 ( 0.134 2.518 2.161) 3.321 3.298 ( 1.048 -0.855 2.972) 3.266 3.380 ( -1.912 -7.768 6.588) 10.363 3.424 ( -8.393 5.383 5.255) 11.271 3.673 ( 2.752 0.554 -3.675) 4.625 3.765 ( -8.802 -2.581 -1.051) 9.232 3.847 ( 4.207 -2.522 -2.228) 5.387 3.926 ( 0.956 -1.400 1.970) 2.599 4.019 ( 8.386 -2.702 1.091) 8.878 4.249 ( -3.090 9.860 1.393) 10.427 4.303 ( -3.181 8.860 -2.764) 9.811 4.388 ( -3.977 4.825 1.524) 6.436 4.484 ( -5.762 5.388 -1.213) 7.981 4.588 ( 2.347 5.618 1.647) 6.307 4.690 ( 1.416 0.619 -0.077) 1.547 4.859 ( 0.122 1.069 -4.285) 4.418 4.935 ( -0.678 9.504 -4.559) 10.563 5.055 ( 4.793 11.195 3.194) 12.590 5.145 ( 2.344 1.830 2.588) 3.942 5.203 ( 0.112 16.848 -2.806) 17.080 5.216 ( 4.677 -6.776 2.348) 8.561 5.404 ( 3.328 12.590 -3.178) 13.404 5.451 ( 1.707 14.028 0.807) 14.155 5.707 ( -0.123 1.682 4.729) 5.021 5.716 ( 1.075 2.012 1.553) 2.760 6.033 ( 0.365 19.014 -2.115) 19.134 6.056 ( -0.632 15.680 -2.923) 15.963 6.163 ( -0.496 13.066 -0.188) 13.077 6.174 ( -1.359 15.657 0.125) 15.717 6.887 ( 7.963 6.236 2.326) 10.378 6.996 ( 7.691 4.965 -2.721) 9.551 7.184 ( 7.782 -0.268 5.522) 9.546 7.411 ( 5.750 -1.138 -3.585) 6.871 7.619 ( -0.687 7.570 4.006) 8.592 7.828 ( -2.797 3.284 -0.695) 4.369 7.872 ( -1.608 1.652 -0.945) 2.492 7.985 ( -5.047 -2.529 -3.988) 6.912 8.415 ( 1.119 -0.846 4.455) 4.671 8.463 ( -1.927 -2.539 4.980) 5.912 8.609 ( -4.213 1.914 -0.485) 4.653 8.697 ( -0.426 -1.119 -1.243) 1.725 8.908 ( -3.684 4.221 -2.526) 6.146 8.975 ( -1.044 -11.726 -9.948) 15.413 9.090 ( 6.182 10.345 -3.574) 12.571 9.184 ( -1.882 10.453 -2.602) 10.935 9.549 ( -2.377 0.554 7.485) 7.872 9.578 ( -3.241 -5.203 9.281) 11.123 9.914 ( -6.488 -1.639 -5.214) 8.483 9.971 ( -5.852 6.817 -9.009) 12.724 10.290 ( 4.741 5.840 3.196) 8.172 10.338 ( 4.997 8.264 1.828) 9.829 10.757 ( 6.700 -10.574 7.019) 14.351 10.947 ( -0.790 -4.006 -1.916) 4.510 10.984 ( 2.692 -3.891 2.590) 5.394 11.262 ( -0.732 -17.309 -5.246) 18.102 11.506 ( -7.098 -21.585 5.818) 23.455 11.604 ( -6.634 -17.380 1.016) 18.631 11.898 ( 0.697 -0.775 1.431) 1.771 11.966 ( 0.428 -1.233 2.390) 2.724 12.069 ( 2.048 -0.029 1.539) 2.562 12.260 ( -1.658 -6.137 -4.952) 8.058 12.323 ( 5.562 -3.857 -0.835) 6.820 12.394 ( 8.354 -6.300 -4.737) 11.486 13.041 ( -13.268 4.535 5.119) 14.927 13.273 ( -7.785 1.751 -4.124) 8.983 15.309 ( 1.957 -11.018 0.156) 11.192 15.456 ( 0.190 -12.863 -4.495) 13.627 15.567 ( -2.944 -11.932 1.139) 12.343 15.620 ( -0.376 -8.991 -0.858) 9.039 15.766 ( 6.019 1.641 3.209) 7.016 15.986 ( 4.240 1.743 -6.114) 7.641 16.303 ( 0.677 0.138 7.523) 7.555 16.481 ( -1.841 -0.084 -1.320) 2.267======================= Grid point 102 (42/72) =======================q-point: ( 0.40 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 0.856 5.626 -3.383) 6.620 2.043 ( -1.455 5.675 -3.836) 7.003 2.264 ( -0.033 5.494 7.029) 8.922 2.316 ( -4.780 7.513 8.976) 12.643 2.561 ( 3.279 5.001 -5.295) 7.988 2.625 ( -1.757 8.535 -4.515) 9.814 2.677 ( 2.544 1.396 -6.632) 7.239 2.751 ( -1.820 -0.731 -5.768) 6.093 2.899 ( 2.754 6.586 0.575) 7.162 2.966 ( 8.299 2.704 1.094) 8.797 3.019 ( 1.601 3.899 3.286) 5.344 3.168 ( -0.628 6.719 2.260) 7.116 3.224 ( -6.716 6.059 1.872) 9.237 3.256 ( -8.272 0.891 -2.131) 8.589 3.419 ( 4.230 -1.546 9.358) 10.385 3.533 ( -8.083 -0.939 5.919) 10.062 3.775 ( 4.108 -2.103 -2.390) 5.197 3.847 ( -2.752 -4.043 1.324) 5.067 4.037 ( 6.627 4.237 -5.747) 9.741 4.133 ( -2.278 3.284 -5.197) 6.556 4.235 ( 5.793 1.976 0.042) 6.121 4.252 ( 0.670 8.500 1.937) 8.743 4.316 ( -4.644 8.499 1.238) 9.763 4.372 ( -4.980 0.661 -3.164) 5.937 4.625 ( 1.873 6.090 4.985) 8.091 4.674 ( -2.582 3.224 4.760) 6.302 4.877 ( 2.046 4.900 -4.885) 7.215 4.921 ( -1.506 7.275 -5.994) 9.546 5.123 ( 2.305 13.711 2.138) 14.067 5.160 ( -1.508 12.004 0.789) 12.124 5.247 ( 3.984 0.585 -1.233) 4.211 5.285 ( 0.924 -6.028 -0.473) 6.116 5.472 ( 2.209 7.101 1.768) 7.644 5.481 ( 1.127 9.500 1.311) 9.656 5.714 ( 1.000 4.519 2.022) 5.050 5.732 ( -0.094 3.982 0.024) 3.983 6.042 ( 0.439 18.523 -1.472) 18.587 6.049 ( -0.041 19.449 -2.032) 19.555 6.143 ( -1.147 15.991 0.829) 16.053 6.146 ( -1.009 14.885 0.389) 14.925 7.062 ( 8.243 2.670 2.586) 9.042 7.143 ( 2.703 -0.298 0.855) 2.850 7.358 ( 9.025 -2.361 0.308) 9.333 7.489 ( -1.045 -4.077 -3.246) 5.315 7.662 ( 6.190 9.665 2.794) 11.812 7.766 ( -2.809 6.140 -1.175) 6.854 7.824 ( -2.474 3.601 1.175) 4.524 7.857 ( -6.595 2.861 0.395) 7.199 8.417 ( -0.084 -1.094 2.149) 2.413 8.433 ( -1.479 -0.227 4.065) 4.332 8.585 ( 1.914 1.658 -3.198) 4.079 8.652 ( -3.941 2.414 -4.122) 6.193 8.852 ( -0.390 -3.459 -1.803) 3.921 8.902 ( -4.499 -7.002 -5.314) 9.875 9.160 ( 1.453 8.167 -1.573) 8.443 9.185 ( -0.058 3.175 -3.541) 4.757 9.531 ( 1.490 1.405 6.147) 6.480 9.552 ( -0.242 -2.457 6.795) 7.230 9.804 ( -2.082 2.237 -4.808) 5.697 9.857 ( -5.766 6.597 -8.332) 12.091 10.372 ( 2.818 9.497 6.497) 11.847 10.394 ( 0.718 10.780 6.751) 12.740 10.873 ( 3.687 -8.608 -1.486) 9.481 10.923 ( -1.676 -5.960 -2.596) 6.714 11.114 ( 10.133 -13.030 1.248) 16.553 11.252 ( -0.991 -18.113 -3.534) 18.481 11.381 ( -4.447 -22.137 3.439) 22.840 11.419 ( -9.579 -20.130 1.251) 22.328 11.927 ( 1.914 -0.599 3.609) 4.129 11.960 ( -1.064 0.693 3.836) 4.040 12.137 ( 3.902 -1.176 -1.320) 4.284 12.208 ( -3.130 -3.844 -3.950) 6.338 12.436 ( 7.226 -2.281 1.258) 7.681 12.568 ( 0.804 1.515 -5.149) 5.427 12.832 ( 0.223 -1.843 5.255) 5.573 13.044 ( -13.698 -1.476 -3.730) 14.273 15.365 ( 3.448 -10.476 -1.063) 11.080 15.433 ( -2.821 -10.103 -3.025) 10.917 15.546 ( 1.127 -13.513 -0.476) 13.569 15.586 ( -2.343 -12.120 -1.783) 12.472 15.913 ( 7.298 5.231 2.911) 9.439 16.016 ( -2.131 5.833 -1.260) 6.337 16.347 ( 3.670 -2.711 3.346) 5.658 16.426 ( -3.633 -1.580 -0.004) 3.962======================= Grid point 105 (43/72) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( 0.000 4.812 -0.931) 4.902 2.150 ( 0.000 5.377 -4.247) 6.852 2.393 ( 0.000 -4.645 -0.214) 4.649 2.452 ( 0.000 -3.965 -4.040) 5.660 2.613 ( 0.000 5.997 0.978) 6.076 2.685 ( 0.000 4.615 2.356) 5.181 2.829 ( 0.000 9.905 -0.029) 9.905 2.876 ( 0.000 9.504 1.177) 9.577 2.884 ( 0.000 1.730 5.731) 5.987 3.059 ( 0.000 0.292 -0.758) 0.812 3.062 ( 0.000 0.972 3.035) 3.187 3.172 ( 0.000 -2.885 -3.155) 4.276 3.223 ( 0.000 0.592 3.755) 3.801 3.361 ( 0.000 5.874 4.667) 7.503 3.496 ( 0.000 -4.720 -8.592) 9.803 3.631 ( 0.000 -0.521 -6.118) 6.140 3.769 ( 0.000 -5.765 2.579) 6.316 3.784 ( 0.000 -3.314 1.398) 3.596 3.810 ( 0.000 -6.367 3.032) 7.052 3.840 ( 0.000 -1.787 -0.020) 1.787 4.458 ( 0.000 5.191 -2.423) 5.729 4.460 ( 0.000 6.326 -1.182) 6.435 4.587 ( 0.000 1.869 -3.673) 4.122 4.591 ( 0.000 4.341 0.772) 4.409 4.644 ( 0.000 -0.627 -5.484) 5.519 4.645 ( 0.000 2.681 0.379) 2.708 4.836 ( 0.000 -0.508 6.960) 6.979 4.938 ( 0.000 -4.991 3.069) 5.859 5.020 ( 0.000 1.226 0.228) 1.247 5.048 ( 0.000 -2.831 -0.016) 2.831 5.460 ( 0.000 13.337 -0.400) 13.343 5.498 ( 0.000 11.966 -2.206) 12.168 5.572 ( 0.000 3.182 2.236) 3.889 5.647 ( 0.000 0.719 -2.949) 3.035 5.696 ( 0.000 6.030 5.052) 7.867 5.765 ( 0.000 4.715 1.350) 4.904 6.332 ( 0.000 10.469 -0.797) 10.499 6.332 ( 0.000 10.665 -0.697) 10.687 6.386 ( 0.000 9.124 -1.932) 9.327 6.433 ( 0.000 8.333 -2.899) 8.823 6.939 ( 0.000 6.419 3.681) 7.399 7.075 ( 0.000 4.837 1.330) 5.017 7.110 ( 0.000 1.552 1.160) 1.937 7.299 ( 0.000 -4.107 -3.199) 5.206 7.766 ( 0.000 7.377 2.420) 7.764 7.917 ( 0.000 0.490 -2.821) 2.863 7.962 ( 0.000 8.167 -2.121) 8.438 7.998 ( 0.000 0.887 -3.660) 3.766 8.331 ( 0.000 -5.862 3.462) 6.809 8.418 ( 0.000 -0.610 3.421) 3.475 8.526 ( 0.000 -6.278 -1.284) 6.407 8.639 ( 0.000 -16.255 -7.550) 17.923 8.955 ( 0.000 14.153 7.764) 16.142 9.100 ( 0.000 6.481 5.457) 8.472 9.215 ( 0.000 9.160 -5.827) 10.856 9.434 ( 0.000 5.555 -4.050) 6.875 9.491 ( 0.000 -7.846 7.230) 10.669 9.626 ( 0.000 7.643 5.723) 9.548 9.858 ( 0.000 -10.467 -7.325) 12.775 10.136 ( 0.000 -3.665 -14.675) 15.126 10.206 ( 0.000 1.497 3.283) 3.608 10.287 ( 0.000 0.297 -0.805) 0.858 10.682 ( 0.000 4.880 12.040) 12.991 10.896 ( 0.000 -4.511 -2.994) 5.414 10.897 ( 0.000 -2.480 2.371) 3.430 11.083 ( 0.000 -3.679 2.194) 4.283 11.130 ( 0.000 -20.398 6.995) 21.564 11.337 ( 0.000 -15.961 -2.520) 16.159 11.860 ( 0.000 -0.463 1.686) 1.748 11.995 ( 0.000 -0.012 -4.183) 4.183 12.079 ( 0.000 0.821 1.765) 1.946 12.169 ( 0.000 -1.726 -0.349) 1.761 12.171 ( 0.000 -0.276 -0.883) 0.925 12.227 ( 0.000 -3.633 -2.985) 4.702 13.296 ( 0.000 3.794 1.670) 4.145 13.377 ( 0.000 0.177 -1.430) 1.441 15.124 ( 0.000 -5.022 -0.911) 5.104 15.214 ( 0.000 -9.223 -3.181) 9.756 15.449 ( 0.000 -5.611 -1.919) 5.930 15.461 ( 0.000 -5.655 -1.312) 5.806 15.746 ( 0.000 3.728 3.897) 5.393 15.895 ( 0.000 -2.674 -2.718) 3.813 16.363 ( 0.000 3.943 4.923) 6.307 16.490 ( 0.000 -1.513 -0.768) 1.697======================= Grid point 106 (44/72) =======================q-point: ( 0.20 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 0.502 4.564 -0.503) 4.619 2.157 ( 0.461 5.572 -3.048) 6.368 2.328 ( -4.183 -2.853 1.564) 5.299 2.448 ( -1.496 -4.866 -2.146) 5.525 2.625 ( -3.119 5.184 -1.269) 6.181 2.678 ( 4.579 2.964 -0.879) 5.525 2.789 ( -3.002 7.876 1.406) 8.545 2.846 ( -2.920 6.546 -1.602) 7.345 2.935 ( 2.743 4.438 4.285) 6.751 3.012 ( -3.703 1.375 0.977) 4.069 3.074 ( 0.782 -0.682 0.520) 1.161 3.176 ( 0.995 -3.946 0.830) 4.153 3.280 ( 5.503 1.875 4.455) 7.324 3.342 ( -0.055 7.616 4.185) 8.690 3.565 ( -2.639 5.555 -1.628) 6.362 3.627 ( 2.602 -4.330 -4.900) 7.037 3.711 ( -3.844 -2.143 -1.646) 4.699 3.743 ( 2.692 -5.730 -3.311) 7.144 3.813 ( -0.931 -6.284 2.699) 6.902 3.949 ( 6.376 -5.489 -0.673) 8.440 4.402 ( -4.010 5.147 -0.681) 6.560 4.439 ( -1.951 4.099 -3.905) 5.989 4.497 ( -4.377 5.243 -0.152) 6.831 4.573 ( -3.374 3.443 -1.813) 5.151 4.685 ( 2.696 1.933 -1.087) 3.491 4.723 ( 4.208 3.383 -0.352) 5.411 4.838 ( 1.455 -1.336 4.011) 4.471 4.970 ( 0.624 -3.912 0.248) 3.970 5.054 ( 4.599 -0.377 1.610) 4.887 5.077 ( 2.519 -3.259 1.312) 4.323 5.367 ( -5.025 7.695 0.296) 9.195 5.445 ( -6.068 4.295 -0.295) 7.440 5.617 ( 4.806 9.774 1.688) 11.022 5.700 ( 0.532 8.438 3.997) 9.352 5.739 ( 4.884 3.000 -2.327) 6.186 5.788 ( 1.922 4.381 0.339) 4.796 6.330 ( 0.431 10.942 -0.423) 10.958 6.347 ( 0.980 10.629 -0.976) 10.719 6.396 ( 0.676 9.392 -1.413) 9.521 6.431 ( -0.457 8.880 -2.389) 9.207 7.006 ( 5.818 5.115 2.985) 8.302 7.101 ( 2.562 4.669 -0.651) 5.365 7.160 ( 4.526 -1.513 3.458) 5.894 7.333 ( 2.653 -5.531 -3.050) 6.851 7.794 ( 2.929 8.625 1.274) 9.197 7.919 ( 0.038 2.789 -2.537) 3.770 7.944 ( -1.202 6.113 -0.848) 6.288 8.007 ( 0.505 5.459 -2.870) 6.188 8.351 ( 1.545 -6.176 3.576) 7.302 8.409 ( -0.288 -0.058 2.644) 2.660 8.528 ( -0.093 -6.048 -1.621) 6.263 8.649 ( 0.452 -13.865 -6.062) 15.139 8.884 ( -5.373 10.090 6.039) 12.928 9.006 ( -7.021 5.952 1.373) 9.306 9.226 ( -2.869 -0.275 -1.515) 3.257 9.359 ( -7.303 -0.569 1.300) 7.440 9.496 ( 3.737 3.943 1.105) 5.544 9.613 ( 0.316 9.437 1.931) 9.638 9.883 ( 1.057 -2.363 -4.474) 5.169 10.115 ( -2.632 3.808 -12.894) 13.700 10.283 ( 6.953 -4.097 2.914) 8.581 10.378 ( 8.156 -4.961 -2.042) 9.762 10.652 ( -3.057 1.727 11.728) 12.242 10.841 ( -3.364 -4.682 -1.806) 6.041 10.931 ( 1.306 -3.006 0.875) 3.392 11.025 ( -4.835 -6.064 2.668) 8.202 11.074 ( -4.072 -17.921 6.767) 19.584 11.256 ( -7.526 -15.612 -2.159) 17.465 11.878 ( 2.006 0.726 2.043) 2.954 12.015 ( 1.279 0.211 -2.438) 2.761 12.055 ( -0.897 -0.219 0.916) 1.301 12.177 ( -1.015 -2.297 -3.407) 4.232 12.266 ( 6.179 -0.944 0.969) 6.325 12.327 ( 12.435 -1.588 -2.198) 12.728 13.132 ( -14.172 4.469 3.126) 15.185 13.272 ( -10.610 -1.671 -2.276) 10.980 15.146 ( 2.289 -4.838 -1.211) 5.487 15.236 ( 2.087 -8.743 -3.669) 9.708 15.397 ( -3.628 -4.933 -0.715) 6.165 15.449 ( -2.236 -6.818 -2.682) 7.661 15.839 ( 8.383 4.516 3.957) 10.312 15.989 ( 7.905 -1.694 -2.868) 8.578 16.338 ( -2.388 3.124 5.223) 6.538 16.463 ( -2.740 -1.864 -0.507) 3.352======================= Grid point 107 (45/72) =======================q-point: ( 0.40 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( 1.084 4.856 -1.305) 5.144 2.146 ( -1.517 5.515 -2.223) 6.137 2.303 ( 2.015 -1.701 3.716) 4.557 2.376 ( -4.600 -2.380 3.164) 6.069 2.627 ( 3.540 3.062 -4.219) 6.301 2.715 ( -1.247 -0.342 -3.814) 4.028 2.737 ( -2.029 2.426 -2.772) 4.206 2.754 ( -5.546 2.862 -1.635) 6.452 2.994 ( 4.271 3.071 2.172) 5.691 3.019 ( 3.400 4.465 3.366) 6.544 3.070 ( -0.468 0.559 3.478) 3.554 3.155 ( -4.475 -2.356 4.622) 6.851 3.382 ( 5.704 8.073 1.433) 9.988 3.416 ( 5.860 5.904 2.477) 8.680 3.499 ( -2.707 10.422 0.292) 10.772 3.540 ( -8.825 3.572 -1.503) 9.638 3.687 ( 1.944 -4.794 0.085) 5.174 3.739 ( -3.097 -5.746 2.285) 6.915 3.941 ( 8.656 -10.647 -8.017) 15.892 4.028 ( 0.490 -9.135 -5.682) 10.769 4.350 ( -0.025 5.907 -0.696) 5.948 4.403 ( -3.925 4.290 -0.407) 5.829 4.420 ( 0.117 4.979 -2.307) 5.489 4.482 ( -4.931 4.607 -1.758) 6.974 4.735 ( 2.101 4.379 2.243) 5.350 4.761 ( -0.178 5.481 3.215) 6.356 4.897 ( 3.886 -2.435 -0.851) 4.664 4.961 ( -1.821 -2.936 -2.209) 4.101 5.135 ( 3.437 -0.970 1.221) 3.774 5.154 ( 2.973 -1.722 0.418) 3.461 5.290 ( -1.731 1.926 3.113) 4.049 5.333 ( -4.750 0.494 2.264) 5.285 5.690 ( 2.259 10.656 2.358) 11.145 5.710 ( 0.099 9.846 3.168) 10.344 5.809 ( 2.150 4.308 -2.228) 5.305 5.822 ( 0.861 4.092 -1.716) 4.520 6.352 ( 1.553 11.450 -0.508) 11.566 6.367 ( 0.649 11.225 -1.171) 11.305 6.400 ( -0.260 9.619 -0.519) 9.637 6.411 ( -1.304 9.686 -1.014) 9.826 7.114 ( 4.101 2.563 1.698) 5.126 7.152 ( 0.848 1.672 0.766) 2.026 7.273 ( 6.268 -5.231 0.809) 8.204 7.358 ( -1.261 -7.483 -1.950) 7.835 7.876 ( 3.964 10.220 0.142) 10.963 7.910 ( -0.520 7.100 -0.219) 7.123 7.946 ( 1.552 8.470 0.822) 8.650 7.998 ( -1.955 8.886 -0.946) 9.148 8.375 ( 1.141 -3.333 2.870) 4.544 8.405 ( -1.112 -1.486 3.480) 3.944 8.547 ( 3.133 -6.036 -5.231) 8.580 8.626 ( -3.137 -8.549 -5.554) 10.667 8.804 ( -1.443 4.313 4.171) 6.171 8.856 ( -6.426 4.166 2.301) 7.996 9.163 ( -0.925 -7.012 -0.170) 7.075 9.214 ( -5.654 -5.779 1.259) 8.182 9.602 ( 4.526 10.975 -1.893) 12.022 9.635 ( 0.856 10.904 -1.277) 11.012 9.910 ( 3.071 6.159 -4.021) 7.971 10.021 ( -6.496 7.440 -9.549) 13.738 10.431 ( 7.037 -5.171 5.282) 10.205 10.543 ( -0.487 2.224 7.210) 7.561 10.594 ( 5.216 -16.213 -1.254) 17.078 10.750 ( -6.204 -8.137 -3.394) 10.780 10.938 ( 0.211 -7.100 4.337) 8.323 10.985 ( -1.618 -9.363 4.964) 10.721 10.994 ( -0.339 -11.432 1.253) 11.505 11.087 ( -7.631 -11.149 -0.421) 13.517 11.935 ( 3.332 1.618 2.130) 4.273 11.997 ( -2.534 2.630 1.509) 3.952 12.078 ( 2.476 -4.336 -2.405) 5.542 12.133 ( -2.805 -3.683 -3.099) 5.571 12.465 ( 12.858 4.181 2.515) 13.752 12.605 ( 11.894 0.346 -4.034) 12.565 12.823 ( -12.421 1.646 4.827) 13.427 12.990 ( -16.070 -3.908 -2.386) 16.710 15.213 ( 4.113 -4.406 -1.877) 6.313 15.280 ( 0.208 -5.566 -4.070) 6.898 15.329 ( -1.107 -7.291 -0.853) 7.424 15.384 ( -3.826 -7.811 -2.865) 9.158 16.028 ( 9.070 5.859 3.150) 11.248 16.127 ( 2.314 4.379 -1.684) 5.231 16.292 ( 0.194 -2.260 4.633) 5.158 16.379 ( -5.461 -3.132 0.336) 6.304======================= Grid point 110 (46/72) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.190 ( 0.000 -3.045 -3.175) 4.399 2.190 ( 0.000 3.045 -3.175) 4.399 2.361 ( 0.000 -3.429 -2.406) 4.189 2.361 ( 0.000 3.429 -2.406) 4.189 2.708 ( 0.000 -2.260 2.935) 3.704 2.708 ( 0.000 2.260 2.935) 3.704 2.950 ( 0.000 -3.664 5.655) 6.738 2.950 ( 0.000 3.664 5.655) 6.738 2.979 ( 0.000 -0.138 -0.825) 0.836 2.979 ( 0.000 0.138 -0.825) 0.836 3.078 ( 0.000 -2.632 1.594) 3.077 3.078 ( 0.000 2.632 1.594) 3.077 3.372 ( 0.000 -7.765 -4.232) 8.843 3.372 ( 0.000 7.765 -4.232) 8.843 3.521 ( 0.000 -8.355 -0.774) 8.391 3.521 ( 0.000 8.355 -0.774) 8.391 3.704 ( 0.000 -0.907 1.270) 1.561 3.704 ( 0.000 0.907 1.270) 1.561 3.804 ( 0.000 -1.963 -1.202) 2.302 3.804 ( 0.000 1.963 -1.202) 2.302 4.519 ( 0.000 -0.375 -2.282) 2.313 4.519 ( 0.000 0.375 -2.282) 2.313 4.625 ( 0.000 -1.204 -2.991) 3.224 4.625 ( 0.000 1.204 -2.991) 3.224 4.646 ( 0.000 -1.220 -1.155) 1.680 4.646 ( 0.000 1.220 -1.155) 1.680 4.861 ( 0.000 -2.516 5.324) 5.889 4.861 ( 0.000 2.516 5.324) 5.889 5.027 ( 0.000 -0.088 0.890) 0.894 5.027 ( 0.000 0.088 0.890) 0.895 5.581 ( 0.000 -1.614 4.015) 4.327 5.581 ( 0.000 1.614 4.015) 4.328 5.638 ( 0.000 -1.506 -3.213) 3.549 5.638 ( 0.000 1.506 -3.213) 3.549 5.801 ( 0.000 -2.100 1.176) 2.407 5.801 ( 0.000 2.100 1.176) 2.407 6.441 ( 0.000 -0.036 -0.386) 0.388 6.441 ( 0.000 0.036 -0.386) 0.388 6.500 ( 0.000 -1.626 -3.176) 3.569 6.500 ( 0.000 1.626 -3.176) 3.569 7.043 ( 0.000 -3.945 4.372) 5.889 7.043 ( 0.000 3.945 4.372) 5.889 7.210 ( 0.000 -4.784 -2.721) 5.504 7.210 ( 0.000 4.784 -2.721) 5.504 7.885 ( 0.000 -3.918 -0.654) 3.972 7.885 ( 0.000 3.918 -0.654) 3.972 8.053 ( 0.000 -2.183 -2.865) 3.602 8.053 ( 0.000 2.184 -2.865) 3.602 8.342 ( 0.000 -10.429 -1.452) 10.530 8.342 ( 0.000 10.429 -1.452) 10.530 8.439 ( 0.000 -2.802 1.712) 3.284 8.439 ( 0.000 2.802 1.712) 3.284 9.219 ( 0.000 -7.983 6.707) 10.426 9.219 ( 0.000 7.983 6.707) 10.426 9.259 ( 0.000 -11.868 5.251) 12.977 9.259 ( 0.000 11.868 5.251) 12.978 9.618 ( 0.000 -12.404 -6.623) 14.061 9.618 ( 0.000 12.404 -6.623) 14.061 9.893 ( 0.000 -15.342 -6.729) 16.753 9.893 ( 0.000 15.342 -6.729) 16.753 10.289 ( 0.000 -1.535 1.557) 2.187 10.289 ( 0.000 1.536 1.557) 2.187 10.804 ( 0.000 -6.798 6.005) 9.070 10.804 ( 0.000 6.798 6.005) 9.070 10.871 ( 0.000 -2.106 0.478) 2.160 10.871 ( 0.000 2.107 0.478) 2.160 11.109 ( 0.000 -5.876 0.127) 5.877 11.109 ( 0.000 5.876 0.127) 5.877 11.908 ( 0.000 -4.729 -0.833) 4.801 11.908 ( 0.000 4.729 -0.833) 4.802 12.138 ( 0.000 -3.259 -1.435) 3.561 12.138 ( 0.000 3.259 -1.435) 3.561 12.182 ( 0.000 -1.176 0.247) 1.202 12.182 ( 0.000 1.176 0.247) 1.202 13.356 ( 0.000 -2.135 0.285) 2.154 13.356 ( 0.000 2.135 0.285) 2.154 15.097 ( 0.000 -2.346 -2.365) 3.331 15.097 ( 0.000 2.346 -2.365) 3.331 15.398 ( 0.000 -0.450 -2.214) 2.259 15.398 ( 0.000 0.450 -2.214) 2.259 15.826 ( 0.000 -4.008 1.791) 4.390 15.826 ( 0.000 4.008 1.791) 4.390 16.439 ( 0.000 -3.405 1.367) 3.670 16.439 ( 0.000 3.406 1.367) 3.670======================= Grid point 112 (47/72) =======================q-point: ( 0.20 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( 0.644 -3.802 -1.236) 4.049 2.194 ( 0.644 3.802 -1.236) 4.049 2.330 ( -2.666 -5.452 -1.866) 6.350 2.330 ( -2.666 5.452 -1.866) 6.350 2.693 ( -1.264 -1.491 -1.372) 2.388 2.693 ( -1.264 1.491 -1.372) 2.388 2.900 ( -5.260 -2.448 2.137) 6.183 2.900 ( -5.260 2.448 2.137) 6.183 3.015 ( 2.433 -1.648 3.615) 4.659 3.015 ( 2.433 1.648 3.615) 4.659 3.066 ( 0.784 -5.671 3.363) 6.640 3.066 ( 0.784 5.671 3.363) 6.640 3.412 ( 2.728 -6.375 -2.090) 7.242 3.412 ( 2.728 6.375 -2.090) 7.242 3.568 ( 4.935 -6.544 -2.978) 8.721 3.568 ( 4.935 6.544 -2.978) 8.721 3.683 ( -1.944 -3.156 1.414) 3.967 3.683 ( -1.944 3.156 1.414) 3.967 3.819 ( 0.797 -6.221 -2.374) 6.706 3.819 ( 0.797 6.221 -2.374) 6.706 4.464 ( -3.417 -1.193 -2.681) 4.504 4.464 ( -3.417 1.193 -2.681) 4.504 4.584 ( -3.483 -2.740 -2.757) 5.219 4.584 ( -3.483 2.740 -2.757) 5.219 4.719 ( 5.005 -2.063 0.270) 5.420 4.719 ( 5.005 2.063 0.270) 5.420 4.880 ( 0.914 -4.132 3.886) 5.746 4.880 ( 0.914 4.132 3.886) 5.746 5.056 ( 3.388 -0.533 1.566) 3.771 5.056 ( 3.388 0.533 1.566) 3.771 5.446 ( -7.737 -1.983 0.897) 8.038 5.446 ( -7.737 1.983 0.897) 8.038 5.751 ( 5.556 -2.518 -0.005) 6.100 5.751 ( 5.556 2.518 -0.005) 6.100 5.817 ( 1.382 -2.224 0.915) 2.774 5.817 ( 1.382 2.224 0.915) 2.774 6.449 ( 0.880 -0.558 -0.421) 1.124 6.449 ( 0.880 0.558 -0.421) 1.124 6.508 ( 0.457 -1.197 -2.654) 2.947 6.508 ( 0.457 1.197 -2.654) 2.947 7.090 ( 4.041 -3.386 3.461) 6.307 7.090 ( 4.041 3.386 3.461) 6.307 7.220 ( 0.848 -5.380 -1.835) 5.747 7.220 ( 0.848 5.380 -1.835) 5.747 7.921 ( 3.473 -3.205 -1.545) 4.972 7.921 ( 3.473 3.205 -1.545) 4.972 8.060 ( 0.757 -4.024 -1.390) 4.324 8.060 ( 0.757 4.024 -1.390) 4.324 8.366 ( 1.940 -10.083 -1.832) 10.430 8.366 ( 1.940 10.083 -1.832) 10.430 8.436 ( -0.233 -2.281 1.922) 2.992 8.436 ( -0.233 2.281 1.922) 2.992 9.099 ( -8.457 -8.423 4.316) 12.692 9.099 ( -8.457 8.423 4.316) 12.692 9.183 ( -7.481 -10.146 5.065) 13.586 9.183 ( -7.481 10.146 5.065) 13.586 9.715 ( 7.667 -10.972 -6.874) 15.047 9.715 ( 7.667 10.972 -6.874) 15.047 9.926 ( 2.292 -15.572 -6.357) 16.975 9.926 ( 2.292 15.572 -6.357) 16.975 10.314 ( 2.561 -1.923 2.292) 3.938 10.314 ( 2.561 1.923 2.292) 3.939 10.727 ( -6.924 -6.834 4.358) 10.660 10.727 ( -6.924 6.834 4.358) 10.660 10.880 ( 0.451 -1.037 1.902) 2.212 10.880 ( 0.451 1.037 1.902) 2.213 11.042 ( -5.370 -5.749 1.218) 7.960 11.042 ( -5.370 5.749 1.218) 7.961 11.934 ( 2.267 -4.436 -0.653) 5.024 11.934 ( 2.267 4.436 -0.653) 5.025 12.116 ( -2.089 -3.646 -1.296) 4.398 12.116 ( -2.089 3.647 -1.296) 4.398 12.292 ( 10.260 -2.134 0.202) 10.482 12.292 ( 10.260 2.134 0.202) 10.482 13.215 ( -12.916 -3.710 0.428) 13.445 13.215 ( -12.916 3.710 0.428) 13.445 15.122 ( 2.503 -2.379 -2.630) 4.341 15.122 ( 2.503 2.379 -2.630) 4.341 15.364 ( -3.146 -1.486 -2.248) 4.142 15.364 ( -3.146 1.486 -2.248) 4.142 15.928 ( 8.980 -4.062 1.677) 9.998 15.928 ( 8.980 4.063 1.677) 9.998 16.408 ( -3.187 -3.420 1.517) 4.915 16.408 ( -3.187 3.421 1.517) 4.915======================= Grid point 114 (48/72) =======================q-point: ( 0.40 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( 2.044 -5.095 0.380) 5.503 2.221 ( 2.044 5.095 0.380) 5.503 2.272 ( -2.849 -6.406 -0.732) 7.049 2.272 ( -2.849 6.406 -0.732) 7.049 2.686 ( 1.553 -2.225 -3.100) 4.120 2.686 ( 1.553 2.225 -3.100) 4.120 2.770 ( -6.365 -0.576 -0.209) 6.394 2.770 ( -6.365 0.576 -0.209) 6.394 3.061 ( 2.520 -0.593 3.685) 4.503 3.061 ( 2.520 0.593 3.685) 4.503 3.094 ( -0.009 -3.620 4.965) 6.145 3.094 ( -0.009 3.620 4.965) 6.145 3.484 ( 5.168 -5.503 0.943) 7.608 3.484 ( 5.168 5.503 0.943) 7.608 3.596 ( -4.731 -4.683 0.687) 6.692 3.596 ( -4.731 4.683 0.687) 6.692 3.713 ( 6.156 -9.894 -4.002) 12.321 3.713 ( 6.156 9.894 -4.002) 12.321 3.807 ( -2.556 -11.966 -4.312) 12.973 3.807 ( -2.556 11.966 -4.312) 12.973 4.431 ( 0.905 -1.912 -2.797) 3.507 4.431 ( 0.905 1.912 -2.797) 3.507 4.497 ( -4.729 -2.659 -2.725) 6.071 4.497 ( -4.729 2.659 -2.725) 6.071 4.813 ( 4.122 -3.314 1.776) 5.580 4.813 ( 4.122 3.314 1.776) 5.580 4.873 ( -1.707 -4.132 2.671) 5.208 4.873 ( -1.707 4.132 2.671) 5.208 5.161 ( 6.467 -1.160 1.614) 6.765 5.161 ( 6.467 1.161 1.614) 6.765 5.298 ( -7.109 -1.656 1.024) 7.371 5.298 ( -7.109 1.656 1.024) 7.371 5.830 ( 2.184 -2.302 0.342) 3.192 5.830 ( 2.184 2.302 0.342) 3.192 5.842 ( 0.682 -2.318 0.511) 2.469 5.842 ( 0.682 2.318 0.511) 2.469 6.476 ( 1.617 -0.588 -0.692) 1.855 6.476 ( 1.617 0.588 -0.692) 1.855 6.504 ( -0.952 -0.473 -1.445) 1.794 6.504 ( -0.952 0.473 -1.445) 1.794 7.175 ( 3.861 -3.638 1.078) 5.413 7.175 ( 3.861 3.638 1.078) 5.414 7.226 ( -0.932 -5.109 -0.138) 5.195 7.226 ( -0.932 5.109 -0.138) 5.195 8.010 ( 4.674 -0.246 -0.920) 4.770 8.010 ( 4.674 0.246 -0.920) 4.770 8.069 ( -0.716 -3.387 0.198) 3.468 8.069 ( -0.716 3.387 0.198) 3.468 8.401 ( 1.668 -7.402 -0.996) 7.653 8.401 ( 1.668 7.402 -0.996) 7.653 8.431 ( -0.711 -5.941 0.678) 6.021 8.431 ( -0.711 5.941 0.678) 6.022 8.971 ( -2.596 -9.247 2.702) 9.977 8.971 ( -2.596 9.247 2.702) 9.977 9.022 ( -6.875 -10.086 2.754) 12.513 9.022 ( -6.875 10.086 2.754) 12.513 9.865 ( 6.365 -8.345 -7.289) 12.779 9.865 ( 6.365 8.346 -7.289) 12.779 9.944 ( -1.248 -12.273 -6.781) 14.077 9.944 ( -1.248 12.273 -6.781) 14.077 10.398 ( 6.031 -4.745 3.675) 8.508 10.398 ( 6.031 4.745 3.675) 8.508 10.555 ( -9.201 -7.840 4.071) 12.755 10.555 ( -9.201 7.840 4.071) 12.755 10.894 ( 1.312 -3.090 2.348) 4.097 10.894 ( 1.312 3.090 2.348) 4.097 10.944 ( -3.803 -4.449 2.212) 6.257 10.944 ( -3.803 4.449 2.212) 6.257 11.991 ( 3.329 -3.811 -0.475) 5.082 11.991 ( 3.329 3.811 -0.475) 5.083 12.060 ( -3.332 -3.463 -0.788) 4.870 12.060 ( -3.332 3.463 -0.788) 4.870 12.559 ( 15.717 -4.300 0.338) 16.298 12.559 ( 15.717 4.301 0.338) 16.298 12.898 ( -17.407 -4.923 0.547) 18.097 12.898 ( -17.407 4.923 0.547) 18.098 15.192 ( 4.307 -2.232 -2.884) 5.644 15.192 ( 4.307 2.232 -2.884) 5.644 15.284 ( -4.576 -1.917 -2.651) 5.625 15.284 ( -4.576 1.917 -2.651) 5.625 16.131 ( 10.186 -3.834 1.722) 11.019 16.131 ( 10.186 3.834 1.722) 11.019 16.307 ( -7.016 -3.538 1.726) 8.045 16.307 ( -7.016 3.538 1.726) 8.045======================= Grid point 150 (49/72) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 -22.747) 22.747 1.056 ( 0.000 0.000 22.747) 22.747 1.174 ( 0.000 0.000 -24.742) 24.742 1.174 ( 0.000 0.000 24.742) 24.742 1.968 ( 0.000 0.000 -18.647) 18.647 1.968 ( 0.000 0.000 18.647) 18.647 2.146 ( 0.000 0.000 -4.665) 4.665 2.146 ( 0.000 0.000 4.665) 4.665 2.223 ( 0.000 0.000 -5.141) 5.141 2.223 ( 0.000 0.000 5.141) 5.141 2.392 ( 0.000 0.000 -3.638) 3.638 2.392 ( 0.000 0.000 3.638) 3.638 2.413 ( 0.000 0.000 -0.641) 0.641 2.413 ( 0.000 0.000 0.641) 0.641 2.469 ( 0.000 0.000 -6.163) 6.163 2.469 ( 0.000 0.000 6.163) 6.163 2.705 ( 0.000 0.000 -6.855) 6.855 2.705 ( 0.000 0.000 6.855) 6.855 2.741 ( 0.000 0.000 -5.652) 5.652 2.741 ( 0.000 0.000 5.652) 5.652 3.287 ( 0.000 0.000 -5.283) 5.283 3.287 ( 0.000 0.000 5.283) 5.283 3.716 ( 0.000 0.000 -3.036) 3.036 3.716 ( 0.000 0.000 3.036) 3.036 3.889 ( 0.000 0.000 -9.554) 9.554 3.889 ( 0.000 0.000 9.554) 9.554 4.352 ( 0.000 0.000 -18.881) 18.881 4.352 ( 0.000 0.000 18.881) 18.881 4.628 ( 0.000 0.000 -10.573) 10.573 4.628 ( 0.000 0.000 10.573) 10.573 4.909 ( 0.000 0.000 -6.645) 6.645 4.909 ( 0.000 0.000 6.645) 6.645 5.296 ( 0.000 0.000 -6.691) 6.691 5.296 ( 0.000 0.000 6.691) 6.691 5.463 ( 0.000 0.000 -4.023) 4.023 5.463 ( 0.000 0.000 4.023) 4.023 5.825 ( 0.000 0.000 -4.800) 4.800 5.825 ( 0.000 0.000 4.800) 4.800 6.367 ( 0.000 0.000 -2.075) 2.075 6.367 ( 0.000 0.000 2.075) 2.075 6.413 ( 0.000 0.000 -7.952) 7.952 6.413 ( 0.000 0.000 7.952) 7.952 6.983 ( 0.000 0.000 -1.739) 1.739 6.983 ( 0.000 0.000 1.739) 1.739 7.062 ( 0.000 0.000 -4.761) 4.761 7.062 ( 0.000 0.000 4.761) 4.761 7.466 ( 0.000 0.000 -6.103) 6.103 7.466 ( 0.000 0.000 6.103) 6.103 7.532 ( 0.000 0.000 -1.302) 1.302 7.532 ( 0.000 0.000 1.302) 1.302 8.366 ( 0.000 0.000 -0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 -11.597) 11.597 8.520 ( 0.000 0.000 11.597) 11.597 9.284 ( 0.000 0.000 -2.745) 2.745 9.284 ( 0.000 0.000 2.745) 2.745 9.474 ( 0.000 0.000 -13.677) 13.677 9.474 ( 0.000 0.000 13.677) 13.677 9.753 ( 0.000 0.000 -9.032) 9.032 9.753 ( 0.000 0.000 9.032) 9.032 10.085 ( 0.000 0.000 -1.289) 1.289 10.085 ( 0.000 0.000 1.289) 1.289 10.984 ( 0.000 0.000 -9.966) 9.966 10.984 ( 0.000 0.000 9.966) 9.966 11.918 ( 0.000 0.000 -4.989) 4.989 11.918 ( 0.000 0.000 4.989) 4.989 12.309 ( 0.000 0.000 -10.615) 10.615 12.309 ( 0.000 0.000 10.615) 10.615 12.956 ( 0.000 0.000 -10.759) 10.759 12.956 ( 0.000 0.000 10.759) 10.759 13.107 ( 0.000 0.000 -0.403) 0.403 13.107 ( 0.000 0.000 0.403) 0.403 13.277 ( 0.000 0.000 -0.089) 0.089 13.277 ( 0.000 0.000 0.089) 0.089 13.305 ( 0.000 0.000 -0.095) 0.095 13.305 ( 0.000 0.000 0.095) 0.095 14.493 ( 0.000 0.000 -5.207) 5.207 14.493 ( 0.000 0.000 5.207) 5.207 15.790 ( 0.000 0.000 -3.745) 3.745 15.790 ( 0.000 0.000 3.745) 3.745 16.805 ( 0.000 0.000 -7.010) 7.010 16.805 ( 0.000 0.000 7.010) 7.010 17.413 ( 0.000 0.000 -4.573) 4.573 17.413 ( 0.000 0.000 4.573) 4.573======================= Grid point 152 (50/72) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 9.626 0.000 -20.838) 22.954 1.131 ( 9.626 0.000 20.838) 22.954 1.280 ( 9.980 0.000 -21.798) 23.974 1.280 ( 9.980 0.000 21.798) 23.974 1.995 ( 2.651 0.000 -15.400) 15.626 1.995 ( 2.651 0.000 15.400) 15.626 2.091 ( -7.107 0.000 -4.428) 8.374 2.091 ( -7.107 0.000 4.428) 8.374 2.243 ( -4.005 0.000 -18.341) 18.773 2.243 ( -4.005 0.000 18.341) 18.773 2.320 ( -6.124 0.000 -2.314) 6.547 2.320 ( -6.124 0.000 2.314) 6.547 2.438 ( -0.677 0.000 -3.681) 3.742 2.438 ( -0.677 0.000 3.681) 3.742 2.574 ( 14.600 0.000 -1.031) 14.636 2.574 ( 14.600 0.000 1.031) 14.636 2.759 ( 8.184 0.000 -9.264) 12.361 2.759 ( 8.184 0.000 9.264) 12.361 2.826 ( 8.038 0.000 -4.586) 9.254 2.826 ( 8.038 0.000 4.586) 9.254 3.269 ( -1.723 0.000 -4.846) 5.143 3.269 ( -1.723 0.000 4.846) 5.143 3.651 ( -8.904 0.000 -12.122) 15.041 3.651 ( -8.904 0.000 12.122) 15.041 3.818 ( -4.318 0.000 -14.441) 15.073 3.818 ( -4.318 0.000 14.441) 15.073 4.148 ( -13.519 0.000 -14.106) 19.538 4.148 ( -13.519 0.000 14.106) 19.538 4.727 ( 1.158 0.000 -6.699) 6.798 4.727 ( 1.158 0.000 6.699) 6.798 4.894 ( -0.778 0.000 -8.261) 8.298 4.894 ( -0.778 0.000 8.261) 8.298 5.290 ( 1.247 0.000 -4.047) 4.235 5.290 ( 1.247 0.000 4.047) 4.235 5.444 ( 0.020 0.000 -7.385) 7.385 5.444 ( 0.020 0.000 7.385) 7.385 5.852 ( 1.085 0.000 -5.752) 5.854 5.852 ( 1.085 0.000 5.752) 5.854 6.368 ( 0.014 0.000 -1.666) 1.666 6.368 ( 0.014 0.000 1.666) 1.666 6.415 ( 0.540 0.000 -8.834) 8.851 6.415 ( 0.540 0.000 8.834) 8.851 6.980 ( -0.274 0.000 -1.413) 1.439 6.980 ( -0.274 0.000 1.413) 1.439 7.235 ( 11.613 0.000 -3.719) 12.194 7.235 ( 11.613 0.000 3.719) 12.194 7.534 ( 0.153 0.000 -1.065) 1.076 7.534 ( 0.153 0.000 1.065) 1.076 7.584 ( 11.030 0.000 -11.223) 15.736 7.584 ( 11.030 0.000 11.223) 15.736 8.378 ( 1.024 0.000 -0.127) 1.031 8.378 ( 1.024 0.000 0.127) 1.031 8.547 ( 4.197 0.000 -10.510) 11.317 8.547 ( 4.197 0.000 10.511) 11.317 9.272 ( -0.996 0.000 -2.271) 2.480 9.272 ( -0.996 0.000 2.271) 2.480 9.404 ( -6.439 0.000 -8.050) 10.309 9.404 ( -6.439 0.000 8.050) 10.309 9.643 ( -10.710 0.000 -9.930) 14.605 9.643 ( -10.710 0.000 9.930) 14.605 10.088 ( 0.212 0.000 -1.041) 1.062 10.088 ( 0.212 0.000 1.041) 1.062 11.032 ( 4.848 0.000 -10.063) 11.170 11.032 ( 4.848 0.000 10.063) 11.170 11.939 ( 1.296 0.000 -3.624) 3.849 11.939 ( 1.296 0.000 3.624) 3.849 12.112 ( -15.844 0.000 -7.348) 17.464 12.112 ( -15.844 0.000 7.348) 17.464 12.959 ( 0.110 0.000 -9.020) 9.021 12.959 ( 0.110 0.000 9.020) 9.021 13.044 ( -3.065 0.000 -2.294) 3.829 13.044 ( -3.065 0.000 2.294) 3.829 13.279 ( 0.182 0.000 -0.087) 0.202 13.279 ( 0.182 0.000 0.087) 0.202 13.303 ( -0.178 0.000 -0.092) 0.200 13.303 ( -0.178 0.000 0.092) 0.200 14.702 ( 15.129 0.000 -4.147) 15.687 14.702 ( 15.129 0.000 4.147) 15.687 15.840 ( 4.324 0.000 -4.472) 6.221 15.840 ( 4.324 0.000 4.472) 6.221 16.799 ( -0.816 0.000 -7.856) 7.899 16.799 ( -0.816 0.000 7.856) 7.899 17.286 ( -10.138 0.000 -2.810) 10.520 17.286 ( -10.138 0.000 2.810) 10.520======================= Grid point 154 (51/72) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 18.504 0.000 -15.680) 24.254 1.437 ( 18.504 0.000 15.680) 24.254 1.540 ( 15.075 0.000 -15.959) 21.953 1.540 ( 15.075 0.000 15.959) 21.953 1.851 ( -15.051 0.000 -10.323) 18.251 1.851 ( -15.051 0.000 10.323) 18.251 1.861 ( -16.819 0.000 -15.187) 22.661 1.861 ( -16.819 0.000 15.187) 22.661 2.230 ( 5.096 0.000 -18.030) 18.736 2.230 ( 5.096 0.000 18.030) 18.736 2.261 ( -0.798 0.000 -1.370) 1.586 2.261 ( -0.798 0.000 1.370) 1.586 2.429 ( -0.241 0.000 -1.319) 1.341 2.429 ( -0.241 0.000 1.319) 1.341 2.830 ( 7.663 0.000 -5.211) 9.267 2.830 ( 7.663 0.000 5.211) 9.267 2.957 ( 4.081 0.000 -2.327) 4.698 2.957 ( 4.081 0.000 2.327) 4.698 3.057 ( 16.062 0.000 -13.601) 21.047 3.057 ( 16.062 0.000 13.601) 21.047 3.229 ( -1.723 0.000 -2.607) 3.125 3.229 ( -1.723 0.000 2.607) 3.125 3.386 ( -13.035 0.000 -4.691) 13.853 3.386 ( -13.035 0.000 4.691) 13.853 3.769 ( -1.651 0.000 -9.438) 9.581 3.769 ( -1.651 0.000 9.438) 9.581 3.909 ( -8.593 0.000 -6.480) 10.763 3.909 ( -8.593 0.000 6.480) 10.763 4.617 ( -6.389 0.000 -1.197) 6.500 4.617 ( -6.389 0.000 1.197) 6.500 4.906 ( 0.656 0.000 -1.850) 1.963 4.906 ( 0.656 0.000 1.850) 1.963 5.334 ( 1.843 0.000 -1.374) 2.298 5.334 ( 1.843 0.000 1.374) 2.298 5.512 ( 4.401 0.000 -3.602) 5.687 5.512 ( 4.401 0.000 3.602) 5.687 5.835 ( -1.845 0.000 -3.328) 3.805 5.835 ( -1.845 0.000 3.328) 3.805 6.368 ( 0.010 0.000 -0.629) 0.629 6.368 ( 0.010 0.000 0.629) 0.629 6.429 ( 0.441 0.000 -3.783) 3.809 6.429 ( 0.441 0.000 3.783) 3.809 6.975 ( -0.170 0.000 -0.543) 0.569 6.975 ( -0.170 0.000 0.543) 0.569 7.380 ( 2.990 0.000 -2.303) 3.774 7.380 ( 2.990 0.000 2.303) 3.774 7.537 ( 0.095 0.000 -0.414) 0.425 7.537 ( 0.095 0.000 0.414) 0.425 7.800 ( 6.975 0.000 -6.133) 9.288 7.800 ( 6.975 0.000 6.133) 9.288 8.397 ( 0.655 0.000 -0.090) 0.661 8.397 ( 0.655 0.000 0.090) 0.661 8.752 ( 16.280 0.000 -4.996) 17.029 8.752 ( 16.280 0.000 4.996) 17.029 9.166 ( -18.359 0.000 -3.744) 18.737 9.166 ( -18.359 0.000 3.744) 18.737 9.253 ( -0.636 0.000 -0.901) 1.103 9.253 ( -0.636 0.000 0.901) 1.103 9.449 ( -4.691 0.000 -5.326) 7.097 9.449 ( -4.691 0.000 5.326) 7.097 10.092 ( 0.128 0.000 -0.396) 0.416 10.092 ( 0.128 0.000 0.396) 0.416 11.155 ( 5.680 0.000 -6.868) 8.913 11.155 ( 5.680 0.000 6.868) 8.913 11.780 ( -10.589 0.000 -6.314) 12.329 11.780 ( -10.589 0.000 6.314) 12.329 12.001 ( 1.086 0.000 -0.880) 1.398 12.001 ( 1.086 0.000 0.880) 1.398 12.959 ( -0.008 0.000 -3.210) 3.210 12.959 ( -0.008 0.000 3.210) 3.210 13.017 ( -0.305 0.000 -1.861) 1.886 13.017 ( -0.305 0.000 1.861) 1.886 13.283 ( 0.171 0.000 -0.054) 0.180 13.283 ( 0.171 0.000 0.054) 0.180 13.299 ( -0.169 0.000 -0.056) 0.178 13.299 ( -0.169 0.000 0.056) 0.178 14.936 ( 6.538 0.000 -2.224) 6.906 14.936 ( 6.538 0.000 2.224) 6.906 15.922 ( 2.768 0.000 -2.705) 3.870 15.922 ( 2.768 0.000 2.705) 3.870 16.768 ( -1.739 0.000 -4.812) 5.116 16.768 ( -1.739 0.000 4.812) 5.116 17.122 ( -4.527 0.000 -2.332) 5.092 17.122 ( -4.527 0.000 2.332) 5.092======================= Grid point 160 (52/72) =======================q-point: ( 0.00 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 0.000 9.973 -18.622) 21.124 1.162 ( 0.000 9.973 18.622) 21.124 1.278 ( 0.000 9.602 -22.039) 24.040 1.278 ( 0.000 9.602 22.039) 24.040 2.081 ( 0.000 3.946 -10.789) 11.488 2.081 ( 0.000 3.946 10.789) 11.488 2.268 ( 0.000 14.554 -24.012) 28.079 2.268 ( 0.000 14.554 24.012) 28.079 2.342 ( 0.000 16.707 -4.900) 17.411 2.342 ( 0.000 16.707 4.900) 17.411 2.360 ( 0.000 0.040 -5.171) 5.171 2.360 ( 0.000 0.040 5.171) 5.171 2.601 ( 0.000 13.420 -0.699) 13.438 2.601 ( 0.000 13.420 0.699) 13.438 2.689 ( 0.000 5.441 -7.746) 9.466 2.689 ( 0.000 5.441 7.746) 9.466 2.710 ( 0.000 15.445 -5.728) 16.472 2.710 ( 0.000 15.445 5.728) 16.472 2.901 ( 0.000 14.891 -3.896) 15.392 2.901 ( 0.000 14.891 3.896) 15.392 3.454 ( 0.000 15.313 -5.685) 16.334 3.454 ( 0.000 15.313 5.685) 16.334 3.714 ( 0.000 0.265 -3.365) 3.375 3.714 ( 0.000 0.265 3.365) 3.375 3.886 ( 0.000 1.092 -5.898) 5.999 3.886 ( 0.000 1.092 5.898) 5.999 4.313 ( 0.000 -3.286 -18.994) 19.276 4.313 ( 0.000 -3.286 18.994) 19.277 4.621 ( 0.000 -0.578 -10.281) 10.297 4.621 ( 0.000 -0.578 10.281) 10.297 4.845 ( 0.000 -4.959 -2.344) 5.485 4.845 ( 0.000 -4.959 2.344) 5.485 5.250 ( 0.000 -2.807 -7.117) 7.650 5.250 ( 0.000 -2.807 7.117) 7.650 5.471 ( 0.000 0.988 -4.167) 4.283 5.471 ( 0.000 0.988 4.167) 4.283 5.775 ( 0.000 -3.179 -4.462) 5.478 5.775 ( 0.000 -3.179 4.462) 5.478 6.186 ( 0.000 -13.684 -7.967) 15.835 6.186 ( 0.000 -13.684 7.967) 15.835 6.689 ( 0.000 18.872 -3.207) 19.142 6.689 ( 0.000 18.872 3.207) 19.142 6.980 ( 0.000 0.147 -7.195) 7.196 6.980 ( 0.000 0.147 7.195) 7.196 7.331 ( 0.000 18.407 -2.676) 18.601 7.331 ( 0.000 18.407 2.676) 18.601 7.503 ( 0.000 7.473 -3.214) 8.135 7.503 ( 0.000 7.473 3.214) 8.135 7.596 ( 0.000 6.611 -0.812) 6.660 7.596 ( 0.000 6.611 0.812) 6.660 8.449 ( 0.000 3.881 -3.503) 5.228 8.449 ( 0.000 3.881 3.503) 5.228 8.530 ( 0.000 4.550 -8.534) 9.671 8.530 ( 0.000 4.550 8.534) 9.671 9.170 ( 0.000 -8.393 -11.694) 14.394 9.170 ( 0.000 -8.393 11.694) 14.394 9.573 ( 0.000 6.057 -3.930) 7.220 9.573 ( 0.000 6.057 3.930) 7.220 9.670 ( 0.000 -5.129 -4.440) 6.784 9.670 ( 0.000 -5.129 4.440) 6.784 10.128 ( 0.000 2.349 -1.146) 2.614 10.128 ( 0.000 2.349 1.146) 2.614 10.990 ( 0.000 0.399 -10.742) 10.750 10.990 ( 0.000 0.399 10.742) 10.750 11.987 ( 0.000 5.574 -2.182) 5.986 11.987 ( 0.000 5.574 2.182) 5.986 12.177 ( 0.000 -15.687 -11.090) 19.211 12.177 ( 0.000 -15.687 11.090) 19.211 12.735 ( 0.000 -15.120 -3.534) 15.527 12.735 ( 0.000 -15.120 3.534) 15.527 12.970 ( 0.000 -7.499 -0.772) 7.539 12.970 ( 0.000 -7.499 0.772) 7.539 13.180 ( 0.000 -8.589 -7.803) 11.604 13.180 ( 0.000 -8.589 7.803) 11.604 13.207 ( 0.000 -6.673 -4.402) 7.995 13.207 ( 0.000 -6.673 4.402) 7.995 14.905 ( 0.000 27.230 -2.914) 27.385 14.905 ( 0.000 27.230 2.914) 27.385 15.858 ( 0.000 6.071 -5.534) 8.215 15.858 ( 0.000 6.071 5.534) 8.215 16.718 ( 0.000 -8.463 -6.279) 10.538 16.718 ( 0.000 -8.463 6.279) 10.538 17.249 ( 0.000 -14.962 -1.919) 15.085 17.249 ( 0.000 -14.962 1.919) 15.085======================= Grid point 162 (53/72) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 5.406 6.017 -19.019) 20.667 1.174 ( 5.406 6.017 19.019) 20.667 1.396 ( 10.094 9.207 -20.867) 24.942 1.396 ( 10.094 9.207 20.867) 24.942 2.029 ( -6.285 2.203 -9.019) 11.212 2.029 ( -6.285 2.203 9.019) 11.212 2.268 ( -2.955 12.870 -8.731) 15.830 2.268 ( -2.955 12.870 8.731) 15.830 2.328 ( 0.691 14.222 -14.393) 20.246 2.328 ( 0.691 14.222 14.393) 20.246 2.465 ( -5.980 11.472 -3.056) 13.293 2.465 ( -5.980 11.472 3.056) 13.293 2.562 ( 7.418 4.263 -1.568) 8.698 2.562 ( 7.418 4.263 1.568) 8.698 2.652 ( 3.130 12.658 -6.905) 14.755 2.652 ( 3.130 12.658 6.905) 14.755 2.822 ( 11.070 10.036 -8.828) 17.355 2.822 ( 11.070 10.036 8.828) 17.355 3.004 ( 7.197 15.707 -4.676) 17.899 3.004 ( 7.197 15.707 4.676) 17.899 3.425 ( -3.050 13.605 -5.593) 15.023 3.425 ( -3.050 13.605 5.593) 15.023 3.660 ( -6.510 1.578 -10.553) 12.500 3.660 ( -6.510 1.578 10.553) 12.500 3.825 ( -4.417 2.672 -11.463) 12.572 3.825 ( -4.417 2.672 11.463) 12.572 4.129 ( -12.410 -1.487 -13.569) 18.448 4.129 ( -12.410 -1.487 13.569) 18.448 4.709 ( 0.589 -1.868 -6.675) 6.956 4.709 ( 0.589 -1.868 6.675) 6.956 4.835 ( 0.442 -4.251 -6.686) 7.936 4.835 ( 0.442 -4.251 6.686) 7.936 5.260 ( 1.596 -2.745 -4.882) 5.823 5.260 ( 1.596 -2.745 4.882) 5.823 5.438 ( -0.742 0.375 -5.927) 5.985 5.438 ( -0.742 0.375 5.927) 5.985 5.783 ( -0.161 -5.028 -5.788) 7.669 5.783 ( -0.161 -5.028 5.788) 7.669 6.239 ( 4.333 -10.501 -8.001) 13.894 6.239 ( 4.333 -10.501 8.001) 13.894 6.696 ( 0.078 22.386 -2.548) 22.531 6.696 ( 0.078 22.386 2.548) 22.531 7.046 ( 4.139 1.098 -1.882) 4.677 7.046 ( 4.139 1.098 1.882) 4.677 7.389 ( 5.044 11.887 -2.949) 13.245 7.389 ( 5.044 11.887 2.949) 13.245 7.522 ( 1.889 5.901 -4.805) 7.841 7.522 ( 1.889 5.901 4.805) 7.841 7.666 ( 6.276 6.350 -5.786) 10.639 7.666 ( 6.276 6.350 5.786) 10.639 8.446 ( -0.003 3.032 -2.350) 3.837 8.446 ( -0.003 3.032 2.350) 3.837 8.557 ( 3.966 3.859 -8.080) 9.794 8.557 ( 3.966 3.859 8.080) 9.794 9.182 ( 0.867 -6.043 -8.499) 10.464 9.182 ( 0.867 -6.043 8.499) 10.464 9.477 ( -8.022 3.326 -1.762) 8.861 9.477 ( -8.022 3.326 1.762) 8.861 9.609 ( -7.417 -1.139 -5.878) 9.532 9.609 ( -7.417 -1.139 5.878) 9.532 10.098 ( -2.002 0.393 -1.955) 2.825 10.098 ( -2.002 0.393 1.955) 2.825 11.047 ( 5.348 0.936 -10.354) 11.691 11.047 ( 5.348 0.936 10.354) 11.691 11.963 ( -3.670 -1.007 -2.290) 4.442 11.963 ( -3.670 -1.007 2.290) 4.442 12.077 ( -8.022 -2.548 -6.331) 10.532 12.077 ( -8.022 -2.548 6.331) 10.532 12.702 ( -1.276 -19.821 -1.471) 19.916 12.702 ( -1.276 -19.821 1.471) 19.916 12.894 ( -3.745 -7.720 -2.056) 8.823 12.894 ( -3.745 -7.720 2.056) 8.823 13.203 ( 1.450 -7.851 -0.876) 8.032 13.203 ( 1.450 -7.851 0.876) 8.032 13.288 ( 4.326 -4.233 -4.297) 7.423 13.288 ( 4.326 -4.233 4.297) 7.423 14.994 ( 7.271 21.514 -3.944) 23.050 14.994 ( 7.271 21.514 3.944) 23.050 15.906 ( 4.109 5.750 -5.735) 9.102 15.906 ( 4.109 5.750 5.735) 9.102 16.711 ( -1.050 -8.615 -7.253) 11.310 16.711 ( -1.050 -8.615 7.253) 11.310 17.150 ( -8.008 -12.700 -2.266) 15.184 17.150 ( -8.008 -12.700 2.266) 15.184======================= Grid point 164 (54/72) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 15.987 1.143 -11.342) 19.635 1.413 ( 15.987 1.143 11.342) 19.635 1.641 ( 11.588 5.611 -15.440) 20.104 1.641 ( 11.588 5.611 15.440) 20.104 1.810 ( -12.441 2.109 -7.460) 14.659 1.810 ( -12.441 2.109 7.460) 14.659 2.034 ( -15.428 10.719 -2.746) 18.986 2.034 ( -15.428 10.719 2.746) 18.986 2.380 ( 0.893 15.413 -5.325) 16.331 2.380 ( 0.893 15.413 5.325) 16.331 2.450 ( 4.718 16.395 -5.920) 18.058 2.450 ( 4.718 16.395 5.920) 18.058 2.576 ( -1.233 12.378 -0.998) 12.479 2.576 ( -1.233 12.378 0.998) 12.479 2.852 ( 7.580 3.608 -4.746) 9.643 2.852 ( 7.580 3.608 4.746) 9.643 3.061 ( 5.913 8.363 -6.472) 12.116 3.061 ( 5.913 8.363 6.472) 12.116 3.173 ( 12.269 12.327 -9.803) 19.964 3.173 ( 12.269 12.327 9.803) 19.964 3.334 ( -4.944 7.320 -2.112) 9.082 3.334 ( -4.944 7.320 2.112) 9.082 3.480 ( -8.414 12.233 -2.581) 15.070 3.480 ( -8.414 12.233 2.581) 15.070 3.764 ( -1.831 1.412 -7.434) 7.786 3.764 ( -1.831 1.412 7.434) 7.786 3.910 ( -8.075 0.401 -6.132) 10.147 3.910 ( -8.075 0.401 6.132) 10.147 4.598 ( -5.919 -1.731 -1.485) 6.344 4.598 ( -5.919 -1.731 1.485) 6.344 4.871 ( 1.203 -2.891 -1.855) 3.639 4.871 ( 1.203 -2.891 1.855) 3.639 5.308 ( 2.048 -2.258 -1.983) 3.637 5.308 ( 2.048 -2.258 1.983) 3.637 5.483 ( 3.400 -1.372 -3.304) 4.936 5.483 ( 3.400 -1.372 3.304) 4.936 5.752 ( -2.110 -6.683 -3.627) 7.891 5.752 ( -2.110 -6.683 3.627) 7.891 6.317 ( 2.537 -7.879 -3.457) 8.970 6.317 ( 2.537 -7.879 3.457) 8.970 6.689 ( -0.520 25.608 -0.996) 25.633 6.689 ( -0.520 25.608 0.996) 25.633 7.090 ( 0.674 6.098 -0.437) 6.150 7.090 ( 0.674 6.098 0.437) 6.150 7.447 ( 0.622 4.592 -1.461) 4.859 7.447 ( 0.622 4.592 1.461) 4.859 7.588 ( 3.062 8.684 -3.985) 10.034 7.588 ( 3.062 8.684 3.985) 10.034 7.779 ( 3.446 -1.486 -6.777) 7.747 7.779 ( 3.446 -1.486 6.777) 7.747 8.448 ( 0.099 3.165 -0.472) 3.201 8.448 ( 0.099 3.165 0.472) 3.201 8.757 ( 16.296 1.495 -4.669) 17.018 8.757 ( 16.296 1.495 4.669) 17.018 9.111 ( -13.658 -1.880 -2.253) 13.970 9.111 ( -13.658 -1.880 2.253) 13.970 9.323 ( -2.056 3.236 -4.101) 5.614 9.323 ( -2.056 3.236 4.101) 5.614 9.441 ( -6.295 0.451 -3.183) 7.068 9.441 ( -6.295 0.451 3.183) 7.068 10.074 ( -0.482 -1.771 -1.112) 2.146 10.074 ( -0.482 -1.771 1.112) 2.146 11.173 ( 5.440 0.898 -6.357) 8.415 11.173 ( 5.440 0.898 6.357) 8.415 11.788 ( -8.551 0.583 -5.479) 10.172 11.788 ( -8.551 0.583 5.479) 10.172 12.009 ( -0.493 -0.096 -0.867) 1.002 12.009 ( -0.493 -0.096 0.867) 1.002 12.717 ( 1.758 -19.792 -1.657) 19.939 12.717 ( 1.758 -19.792 1.657) 19.939 12.835 ( -2.183 -10.724 -2.023) 11.130 12.835 ( -2.183 -10.724 2.023) 11.130 13.232 ( 1.075 -6.110 -0.599) 6.233 13.232 ( 1.075 -6.110 0.599) 6.233 13.335 ( 0.741 -1.896 -1.894) 2.780 13.335 ( 0.741 -1.896 1.894) 2.780 15.121 ( 3.957 15.220 -1.907) 15.841 15.121 ( 3.957 15.220 1.907) 15.841 15.985 ( 2.746 5.463 -3.165) 6.885 15.985 ( 2.746 5.463 3.165) 6.885 16.672 ( -2.095 -9.300 -4.436) 10.514 16.672 ( -2.095 -9.300 4.436) 10.514 17.020 ( -3.509 -9.689 -1.897) 10.478 17.020 ( -3.509 -9.689 1.897) 10.478======================= Grid point 170 (55/72) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 0.000 11.904 -2.893) 12.250 1.389 ( 0.000 11.904 2.893) 12.250 1.560 ( 0.000 17.993 -4.287) 18.497 1.560 ( 0.000 17.993 4.287) 18.497 2.158 ( 0.000 5.656 -2.508) 6.187 2.158 ( 0.000 5.656 2.508) 6.187 2.351 ( 0.000 0.890 -4.441) 4.529 2.351 ( 0.000 0.890 4.441) 4.529 2.555 ( 0.000 3.370 -0.278) 3.382 2.555 ( 0.000 3.370 0.278) 3.382 2.720 ( 0.000 17.411 -1.878) 17.512 2.720 ( 0.000 17.411 1.878) 17.512 2.896 ( 0.000 29.503 -8.363) 30.665 2.896 ( 0.000 29.503 8.363) 30.665 2.962 ( 0.000 16.941 -3.653) 17.330 2.962 ( 0.000 16.941 3.653) 17.330 3.199 ( 0.000 23.513 -1.042) 23.536 3.199 ( 0.000 23.513 1.042) 23.536 3.219 ( 0.000 17.884 -1.448) 17.942 3.219 ( 0.000 17.884 1.448) 17.942 3.748 ( 0.000 5.301 -4.157) 6.737 3.748 ( 0.000 5.301 4.157) 6.737 3.827 ( 0.000 19.120 -7.981) 20.719 3.827 ( 0.000 19.120 7.981) 20.719 4.020 ( 0.000 13.770 -0.224) 13.772 4.020 ( 0.000 13.770 0.224) 13.772 4.249 ( 0.000 -2.246 -17.294) 17.439 4.249 ( 0.000 -2.246 17.294) 17.439 4.613 ( 0.000 0.075 -7.947) 7.947 4.613 ( 0.000 0.075 7.947) 7.947 4.749 ( 0.000 -4.157 -0.449) 4.181 4.749 ( 0.000 -4.157 0.449) 4.181 5.200 ( 0.000 -2.387 -6.206) 6.649 5.200 ( 0.000 -2.387 6.206) 6.649 5.512 ( 0.000 3.317 -2.238) 4.001 5.512 ( 0.000 3.317 2.238) 4.001 5.730 ( 0.000 -1.042 -1.332) 1.691 5.730 ( 0.000 -1.042 1.332) 1.691 5.949 ( 0.000 -9.579 -8.370) 12.721 5.949 ( 0.000 -9.579 8.370) 12.721 6.781 ( 0.000 -4.142 -4.884) 6.404 6.781 ( 0.000 -4.142 4.884) 6.404 7.119 ( 0.000 6.618 -4.032) 7.750 7.119 ( 0.000 6.618 4.032) 7.750 7.528 ( 0.000 6.224 -1.561) 6.416 7.528 ( 0.000 6.224 1.561) 6.416 7.759 ( 0.000 15.092 -2.290) 15.265 7.759 ( 0.000 15.092 2.290) 15.265 7.957 ( 0.000 25.144 -1.156) 25.171 7.957 ( 0.000 25.144 1.156) 25.171 8.439 ( 0.000 -1.435 -7.717) 7.849 8.439 ( 0.000 -1.435 7.717) 7.849 8.720 ( 0.000 8.812 -8.454) 12.211 8.720 ( 0.000 8.812 8.454) 12.211 9.010 ( 0.000 -6.294 -14.103) 15.443 9.010 ( 0.000 -6.294 14.103) 15.443 9.560 ( 0.000 -1.672 -3.233) 3.640 9.560 ( 0.000 -1.672 3.233) 3.640 9.733 ( 0.000 6.979 -2.344) 7.362 9.733 ( 0.000 6.979 2.344) 7.362 10.136 ( 0.000 -1.734 -4.299) 4.635 10.136 ( 0.000 -1.734 4.299) 4.635 10.989 ( 0.000 -0.604 -9.669) 9.688 10.989 ( 0.000 -0.604 9.669) 9.688 11.748 ( 0.000 -21.216 -7.396) 22.468 11.748 ( 0.000 -21.216 7.396) 22.468 12.087 ( 0.000 2.584 -1.563) 3.020 12.087 ( 0.000 2.584 1.563) 3.020 12.577 ( 0.000 -4.844 -0.576) 4.878 12.577 ( 0.000 -4.844 0.576) 4.878 12.766 ( 0.000 -13.200 -4.126) 13.830 12.766 ( 0.000 -13.200 4.126) 13.830 12.990 ( 0.000 -10.889 -5.977) 12.422 12.990 ( 0.000 -10.889 5.977) 12.422 13.050 ( 0.000 -6.379 -8.428) 10.571 13.050 ( 0.000 -6.379 8.428) 10.571 15.338 ( 0.000 15.652 -4.171) 16.199 15.338 ( 0.000 15.652 4.171) 16.199 15.981 ( 0.000 4.647 -7.364) 8.708 15.981 ( 0.000 4.647 7.364) 8.708 16.486 ( 0.000 -13.945 -4.260) 14.582 16.486 ( 0.000 -13.945 4.260) 14.582 16.887 ( 0.000 -19.614 -0.704) 19.626 16.887 ( 0.000 -19.614 0.704) 19.626======================= Grid point 172 (56/72) =======================q-point: ( 0.20 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 0.884 11.870 -12.644) 17.365 1.363 ( 0.884 11.870 12.644) 17.365 1.629 ( 6.392 14.297 -14.318) 21.219 1.629 ( 6.392 14.297 14.318) 21.219 2.105 ( -6.683 5.901 -3.717) 9.659 2.105 ( -6.683 5.901 3.717) 9.659 2.438 ( 1.568 3.172 -6.589) 7.479 2.438 ( 1.568 3.172 6.589) 7.479 2.536 ( 1.352 3.291 -3.770) 5.184 2.536 ( 1.352 3.291 3.770) 5.184 2.720 ( 1.621 16.785 -2.071) 16.990 2.720 ( 1.621 16.785 2.071) 16.990 2.864 ( -3.976 19.243 -1.188) 19.685 2.864 ( -3.976 19.243 1.188) 19.685 2.969 ( 4.727 22.580 -3.241) 23.296 2.969 ( 4.727 22.580 3.241) 23.296 3.221 ( 5.723 25.266 -7.634) 27.007 3.221 ( 5.723 25.266 7.634) 27.007 3.341 ( 5.319 14.754 -1.647) 15.770 3.341 ( 5.319 14.754 1.647) 15.770 3.654 ( -7.869 8.822 -4.442) 12.629 3.654 ( -7.869 8.822 4.442) 12.629 3.815 ( -0.580 15.431 -7.278) 17.071 3.815 ( -0.580 15.431 7.278) 17.071 4.032 ( -1.088 18.615 -4.985) 19.301 4.032 ( -1.088 18.615 4.985) 19.301 4.107 ( -9.269 0.071 -11.100) 14.461 4.107 ( -9.269 0.071 11.100) 14.461 4.648 ( -1.038 -3.889 -6.701) 7.817 4.648 ( -1.038 -3.889 6.701) 7.817 4.774 ( 1.986 -1.409 -3.980) 4.665 4.774 ( 1.986 -1.409 3.980) 4.665 5.188 ( 0.761 -3.892 -4.846) 6.262 5.188 ( 0.761 -3.892 4.846) 6.262 5.480 ( -1.072 3.903 -3.191) 5.154 5.480 ( -1.072 3.903 3.191) 5.154 5.708 ( -2.347 -1.677 -4.834) 5.629 5.708 ( -2.347 -1.677 4.834) 5.629 6.039 ( 6.619 -9.456 -6.913) 13.454 6.039 ( 6.619 -9.456 6.913) 13.454 6.915 ( 10.954 -2.141 -2.745) 11.494 6.915 ( 10.954 -2.141 2.745) 11.494 7.155 ( 3.526 9.220 -2.583) 10.204 7.155 ( 3.526 9.220 2.583) 10.204 7.496 ( -2.174 5.101 -3.949) 6.808 7.496 ( -2.174 5.101 3.949) 6.808 7.778 ( 0.321 11.260 -4.764) 12.230 7.778 ( 0.321 11.260 4.764) 12.230 7.959 ( -0.126 22.752 -1.295) 22.789 7.959 ( -0.126 22.752 1.295) 22.789 8.422 ( -0.028 -2.526 -4.076) 4.796 8.422 ( -0.028 -2.526 4.076) 4.796 8.725 ( 1.269 8.636 -7.066) 11.230 8.725 ( 1.269 8.636 7.066) 11.230 9.073 ( 4.966 -4.620 -11.418) 13.281 9.073 ( 4.966 -4.620 11.418) 13.281 9.498 ( -5.796 1.622 -2.132) 6.385 9.498 ( -5.796 1.622 2.132) 6.385 9.664 ( -6.950 5.327 -3.716) 9.513 9.664 ( -6.950 5.327 3.716) 9.513 10.086 ( -3.802 -1.657 -4.149) 5.866 10.086 ( -3.802 -1.657 4.149) 5.866 11.048 ( 5.244 -1.084 -8.717) 10.231 11.048 ( 5.244 -1.084 8.717) 10.231 11.750 ( 0.327 -15.789 -6.412) 17.045 11.750 ( 0.327 -15.789 6.412) 17.045 12.081 ( -2.346 0.231 -2.942) 3.770 12.081 ( -2.346 0.231 2.942) 3.770 12.470 ( -6.847 -4.805 -2.469) 8.721 12.470 ( -6.847 -4.805 2.469) 8.721 12.703 ( -4.698 -11.024 -2.107) 12.167 12.703 ( -4.698 -11.024 2.107) 12.167 12.984 ( 1.761 -13.067 -3.142) 13.554 12.984 ( 1.761 -13.067 3.142) 13.554 13.154 ( 5.193 -7.853 -4.139) 10.285 13.154 ( 5.193 -7.853 4.139) 10.285 15.367 ( 2.610 14.525 -3.494) 15.166 15.367 ( 2.610 14.525 3.494) 15.166 16.018 ( 3.368 3.936 -6.942) 8.662 16.018 ( 3.368 3.936 6.942) 8.662 16.477 ( -1.449 -13.906 -5.753) 15.118 16.477 ( -1.449 -13.906 5.753) 15.118 16.833 ( -4.353 -17.624 -1.757) 18.238 16.833 ( -4.353 -17.624 1.757) 18.238======================= Grid point 174 (57/72) =======================q-point: ( 0.40 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 10.891 6.720 -10.613) 16.625 1.497 ( 10.891 6.720 10.613) 16.625 1.772 ( 3.508 8.743 -12.911) 15.982 1.772 ( 3.508 8.743 12.911) 15.982 1.908 ( -8.170 7.126 -7.531) 13.200 1.908 ( -8.170 7.126 7.531) 13.200 2.256 ( -10.706 10.601 -5.830) 16.156 2.256 ( -10.706 10.601 5.830) 16.156 2.712 ( 8.541 8.182 -2.845) 12.165 2.712 ( 8.541 8.182 2.845) 12.165 2.784 ( 1.820 17.632 -1.674) 17.805 2.784 ( 1.820 17.632 1.674) 17.805 2.835 ( 1.671 14.398 -4.013) 15.040 2.835 ( 1.671 14.398 4.013) 15.040 3.027 ( -0.528 15.002 -1.899) 15.131 3.027 ( -0.528 15.002 1.899) 15.131 3.354 ( -0.758 14.535 -1.840) 14.670 3.354 ( -0.758 14.535 1.840) 14.670 3.395 ( 5.900 13.045 -8.363) 16.581 3.395 ( 5.900 13.045 8.363) 16.581 3.543 ( -0.984 14.231 -5.858) 15.421 3.543 ( -0.984 14.231 5.858) 15.421 3.787 ( -2.345 15.295 -3.216) 15.805 3.787 ( -2.345 15.295 3.216) 15.805 3.946 ( -2.373 11.354 -4.589) 12.474 3.946 ( -2.373 11.354 4.589) 12.474 4.000 ( -4.352 17.832 -3.891) 18.763 4.000 ( -4.352 17.832 3.891) 18.763 4.559 ( -4.479 -1.751 -2.963) 5.649 4.559 ( -4.479 -1.751 2.963) 5.649 4.804 ( 0.796 -3.618 -1.368) 3.949 4.804 ( 0.796 -3.618 1.368) 3.949 5.254 ( 3.631 -2.721 -3.039) 5.461 5.254 ( 3.631 -2.721 3.039) 5.461 5.494 ( 1.762 2.817 -2.667) 4.261 5.494 ( 1.762 2.817 2.667) 4.261 5.641 ( -3.504 -3.170 -3.774) 6.047 5.641 ( -3.504 -3.170 3.774) 6.047 6.145 ( 3.076 -9.470 -2.589) 10.288 6.145 ( 3.076 -9.470 2.589) 10.288 7.109 ( 7.165 3.583 -0.964) 8.069 7.109 ( 7.165 3.583 0.964) 8.069 7.212 ( -0.337 16.018 -1.970) 16.142 7.212 ( -0.337 16.018 1.970) 16.142 7.496 ( 2.795 2.073 -7.622) 8.379 7.496 ( 2.795 2.073 7.622) 8.379 7.738 ( -3.422 0.426 -5.369) 6.381 7.738 ( -3.422 0.426 5.369) 6.381 7.941 ( -1.145 19.750 -1.582) 19.847 7.941 ( -1.145 19.750 1.582) 19.847 8.457 ( 1.925 -1.489 -0.558) 2.497 8.457 ( 1.925 -1.489 0.558) 2.497 8.817 ( 7.926 2.784 -6.811) 10.815 8.817 ( 7.926 2.784 6.811) 10.815 9.118 ( -3.448 1.065 -8.188) 8.948 9.118 ( -3.448 1.065 8.188) 8.948 9.392 ( -0.756 6.363 -3.408) 7.257 9.392 ( -0.756 6.363 3.408) 7.257 9.494 ( -8.290 4.514 -4.360) 10.398 9.494 ( -8.290 4.514 4.360) 10.398 10.029 ( -1.481 -2.302 -1.843) 3.300 10.029 ( -1.481 -2.302 1.843) 3.300 11.156 ( 4.007 -2.945 -4.207) 6.514 11.156 ( 4.007 -2.945 4.207) 6.514 11.775 ( 2.435 -3.566 -3.690) 5.680 11.775 ( 2.435 -3.566 3.690) 5.680 11.948 ( -8.160 -4.843 -1.883) 9.673 11.948 ( -8.160 -4.843 1.883) 9.673 12.444 ( 3.156 -6.616 -3.940) 8.322 12.444 ( 3.156 -6.616 3.940) 8.322 12.598 ( -5.172 -12.008 -2.977) 13.409 12.598 ( -5.172 -12.008 2.977) 13.409 13.029 ( 1.733 -13.627 -0.565) 13.748 13.029 ( 1.733 -13.627 0.565) 13.748 13.215 ( 1.169 -8.636 -1.982) 8.937 13.215 ( 1.169 -8.636 1.982) 8.937 15.419 ( 1.842 12.876 -1.414) 13.084 15.419 ( 1.842 12.876 1.414) 13.084 16.092 ( 3.043 3.862 -3.938) 6.299 16.092 ( 3.043 3.862 3.938) 6.299 16.421 ( -3.081 -14.915 -3.993) 15.745 16.421 ( -3.081 -14.915 3.993) 15.745 16.766 ( -1.642 -14.633 -1.081) 14.765 16.766 ( -1.642 -14.633 1.081) 14.765======================= Grid point 180 (58/72) =======================q-point: ( 0.00 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 0.000 11.979 -0.138) 11.980 1.631 ( 0.000 11.979 0.138) 11.980 1.945 ( 0.000 19.607 -1.870) 19.696 1.945 ( 0.000 19.607 1.870) 19.696 2.281 ( 0.000 5.059 -3.357) 6.072 2.281 ( 0.000 5.059 3.357) 6.072 2.414 ( 0.000 6.077 -5.376) 8.114 2.414 ( 0.000 6.077 5.376) 8.114 2.557 ( 0.000 0.378 -0.927) 1.001 2.557 ( 0.000 0.378 0.927) 1.001 3.108 ( 0.000 17.663 -0.462) 17.669 3.108 ( 0.000 17.663 0.462) 17.669 3.156 ( 0.000 2.637 -8.536) 8.934 3.156 ( 0.000 2.637 8.536) 8.934 3.398 ( 0.000 15.426 -0.551) 15.436 3.398 ( 0.000 15.426 0.551) 15.436 3.562 ( 0.000 16.400 -7.285) 17.946 3.562 ( 0.000 16.400 7.285) 17.946 3.658 ( 0.000 23.405 -2.578) 23.547 3.658 ( 0.000 23.405 2.578) 23.547 4.004 ( 0.000 13.011 -9.414) 16.060 4.004 ( 0.000 13.011 9.414) 16.060 4.098 ( 0.000 10.800 -16.509) 19.728 4.098 ( 0.000 10.800 16.509) 19.728 4.274 ( 0.000 10.520 -4.498) 11.441 4.274 ( 0.000 10.520 4.498) 11.441 4.415 ( 0.000 18.279 -0.411) 18.284 4.415 ( 0.000 18.279 0.411) 18.284 4.611 ( 0.000 -0.155 -5.417) 5.419 4.611 ( 0.000 -0.155 5.417) 5.419 4.747 ( 0.000 6.014 -0.355) 6.025 4.747 ( 0.000 6.014 0.355) 6.025 5.177 ( 0.000 1.617 -0.288) 1.642 5.177 ( 0.000 1.617 0.288) 1.642 5.602 ( 0.000 5.128 -2.565) 5.734 5.602 ( 0.000 5.128 2.565) 5.734 5.720 ( 0.000 -1.290 -3.743) 3.959 5.720 ( 0.000 -1.290 3.743) 3.959 5.825 ( 0.000 -0.991 -9.318) 9.371 5.825 ( 0.000 -0.991 9.318) 9.371 6.702 ( 0.000 -2.364 -4.144) 4.771 6.702 ( 0.000 -2.364 4.144) 4.771 7.179 ( 0.000 1.291 -2.057) 2.429 7.179 ( 0.000 1.291 2.057) 2.429 7.623 ( 0.000 3.550 -6.046) 7.011 7.623 ( 0.000 3.550 6.046) 7.011 8.015 ( 0.000 6.446 -4.181) 7.683 8.015 ( 0.000 6.446 4.181) 7.683 8.409 ( 0.000 18.438 -1.870) 18.533 8.409 ( 0.000 18.438 1.870) 18.533 8.461 ( 0.000 4.922 -5.317) 7.245 8.461 ( 0.000 4.922 5.317) 7.245 8.789 ( 0.000 0.153 -15.573) 15.574 8.789 ( 0.000 0.153 15.573) 15.574 8.937 ( 0.000 -2.677 -11.441) 11.750 8.937 ( 0.000 -2.677 11.441) 11.750 9.603 ( 0.000 5.004 -8.106) 9.526 9.603 ( 0.000 5.004 8.106) 9.526 9.889 ( 0.000 8.943 -5.691) 10.600 9.889 ( 0.000 8.943 5.691) 10.600 10.071 ( 0.000 -4.099 -8.317) 9.272 10.071 ( 0.000 -4.099 8.317) 9.272 10.969 ( 0.000 -1.360 -5.037) 5.217 10.969 ( 0.000 -1.360 5.037) 5.217 11.426 ( 0.000 -10.873 -7.868) 13.421 11.426 ( 0.000 -10.873 7.868) 13.421 12.061 ( 0.000 -5.759 -3.694) 6.842 12.061 ( 0.000 -5.759 3.694) 6.842 12.412 ( 0.000 -10.932 -8.101) 13.607 12.412 ( 0.000 -10.932 8.101) 13.607 12.499 ( 0.000 -12.660 -3.664) 13.179 12.499 ( 0.000 -12.660 3.664) 13.179 12.718 ( 0.000 -15.518 -9.228) 18.055 12.718 ( 0.000 -15.518 9.228) 18.055 13.037 ( 0.000 4.163 -0.241) 4.170 13.037 ( 0.000 4.163 0.241) 4.170 15.556 ( 0.000 6.784 -4.638) 8.218 15.556 ( 0.000 6.784 4.638) 8.218 15.969 ( 0.000 -7.656 -7.277) 10.563 15.969 ( 0.000 -7.656 7.277) 10.563 16.209 ( 0.000 -12.994 -2.187) 13.176 16.209 ( 0.000 -12.994 2.187) 13.176 16.538 ( 0.000 -12.859 -2.762) 13.152 16.538 ( 0.000 -12.859 2.762) 13.152======================= Grid point 182 (59/72) =======================q-point: ( 0.20 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -0.449 12.547 -3.849) 13.132 1.614 ( -0.449 12.547 3.849) 13.132 1.949 ( 1.639 16.970 -6.075) 18.099 1.949 ( 1.639 16.970 6.075) 18.099 2.250 ( -6.356 7.745 -3.006) 10.460 2.250 ( -6.356 7.745 3.006) 10.460 2.476 ( 5.829 1.860 -3.791) 7.198 2.476 ( 5.829 1.860 3.791) 7.198 2.592 ( 3.242 3.471 -6.795) 8.290 2.592 ( 3.242 3.471 6.795) 8.290 2.972 ( -5.046 6.162 -7.683) 11.066 2.972 ( -5.046 6.162 7.683) 11.066 3.213 ( 1.208 18.121 -2.824) 18.380 3.213 ( 1.208 18.121 2.824) 18.380 3.426 ( -0.711 12.182 -4.144) 12.887 3.426 ( -0.711 12.182 4.144) 12.887 3.518 ( -2.165 11.889 -8.776) 14.935 3.518 ( -2.165 11.889 8.776) 14.935 3.705 ( 1.725 19.101 -4.026) 19.596 3.705 ( 1.725 19.101 4.026) 19.596 3.923 ( -3.685 13.204 -5.256) 14.681 3.923 ( -3.685 13.204 5.256) 14.681 4.144 ( 3.004 15.742 -10.593) 19.211 4.144 ( 3.004 15.742 10.593) 19.211 4.214 ( -3.961 14.067 -3.995) 15.150 4.214 ( -3.961 14.067 3.995) 15.150 4.437 ( 1.106 16.664 -3.194) 17.003 4.437 ( 1.106 16.664 3.194) 17.003 4.596 ( -0.947 1.458 -7.230) 7.436 4.596 ( -0.947 1.458 7.230) 7.436 4.795 ( 1.078 3.884 -1.733) 4.388 4.795 ( 1.078 3.884 1.733) 4.388 5.161 ( 1.328 3.879 -0.901) 4.198 5.161 ( 1.328 3.879 0.901) 4.198 5.588 ( -0.548 6.532 -1.667) 6.764 5.588 ( -0.548 6.532 1.667) 6.764 5.724 ( -1.857 2.821 -3.309) 4.728 5.724 ( -1.857 2.821 3.309) 4.728 5.858 ( 3.805 -7.980 -7.407) 11.534 5.858 ( 3.805 -7.980 7.407) 11.534 6.849 ( 12.677 -2.575 -3.303) 13.351 6.849 ( 12.677 -2.575 3.303) 13.351 7.256 ( 7.468 2.599 -3.460) 8.631 7.256 ( 7.468 2.599 3.460) 8.631 7.594 ( -2.709 3.779 -7.387) 8.728 7.594 ( -2.709 3.779 7.387) 8.728 7.958 ( -6.276 4.356 -6.486) 10.021 7.958 ( -6.276 4.356 6.486) 10.021 8.370 ( -3.822 15.562 -2.139) 16.166 8.370 ( -3.822 15.562 2.139) 16.166 8.426 ( -0.605 4.726 -0.906) 4.850 8.426 ( -0.605 4.726 0.906) 4.850 8.832 ( 1.774 3.040 -8.377) 9.086 8.832 ( 1.774 3.040 8.377) 9.086 8.988 ( 5.340 -4.087 -13.355) 14.953 8.988 ( 5.340 -4.087 13.355) 14.953 9.579 ( -2.438 4.964 -6.794) 8.761 9.579 ( -2.438 4.964 6.794) 8.761 9.803 ( -7.326 7.994 -4.352) 11.684 9.803 ( -7.326 7.994 4.352) 11.684 10.051 ( -1.739 -0.370 -5.480) 5.761 10.051 ( -1.739 -0.370 5.480) 5.761 11.007 ( 3.260 -2.727 -4.406) 6.121 11.007 ( 3.260 -2.727 4.406) 6.121 11.487 ( 5.742 -9.641 -6.656) 13.047 11.487 ( 5.742 -9.641 6.656) 13.047 12.030 ( -3.499 -5.758 -4.855) 8.305 12.030 ( -3.499 -5.758 4.855) 8.305 12.366 ( -5.217 -7.603 -4.698) 10.349 12.366 ( -5.217 -7.603 4.698) 10.349 12.460 ( -2.343 -12.724 -2.961) 13.272 12.460 ( -2.343 -12.724 2.961) 13.272 12.712 ( 0.224 -13.982 -7.271) 15.761 12.712 ( 0.224 -13.982 7.271) 15.761 13.050 ( 0.683 -1.099 -3.991) 4.195 13.050 ( 0.683 -1.099 3.991) 4.195 15.576 ( 1.796 6.681 -3.648) 7.821 15.576 ( 1.796 6.681 3.648) 7.821 15.983 ( 1.680 -9.036 -5.854) 10.897 15.983 ( 1.680 -9.036 5.854) 10.897 16.208 ( -1.037 -12.474 -3.012) 12.874 16.208 ( -1.037 -12.474 3.012) 12.874 16.519 ( -1.229 -11.092 -2.493) 11.435 16.519 ( -1.229 -11.092 2.493) 11.435======================= Grid point 184 (60/72) =======================q-point: ( 0.40 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 4.384 9.109 -4.857) 11.216 1.660 ( 4.384 9.109 4.857) 11.216 1.993 ( -0.648 12.717 -6.102) 14.120 1.993 ( -0.648 12.717 6.102) 14.120 2.085 ( -4.863 10.249 -7.091) 13.378 2.085 ( -4.863 10.249 7.091) 13.378 2.452 ( -4.883 9.075 -4.246) 11.145 2.452 ( -4.883 9.075 4.246) 11.145 2.770 ( 11.062 1.294 -2.569) 11.430 2.770 ( 11.062 1.294 2.569) 11.430 2.969 ( 1.194 3.851 -3.623) 5.420 2.969 ( 1.194 3.851 3.623) 5.420 3.216 ( 0.194 16.200 -3.801) 16.641 3.216 ( 0.194 16.200 3.801) 16.641 3.305 ( -7.958 9.305 -3.405) 12.709 3.305 ( -7.958 9.305 3.405) 12.709 3.523 ( 0.831 13.434 -2.448) 13.680 3.523 ( 0.831 13.434 2.448) 13.680 3.651 ( -3.842 5.835 -3.956) 8.028 3.651 ( -3.842 5.835 3.956) 8.028 3.964 ( 5.038 23.763 -4.914) 24.783 3.964 ( 5.038 23.763 4.914) 24.783 4.127 ( -3.928 18.227 -4.109) 19.093 4.127 ( -3.928 18.227 4.109) 19.093 4.234 ( 4.681 16.519 -7.828) 18.869 4.234 ( 4.681 16.519 7.828) 18.869 4.414 ( -3.539 14.662 -4.190) 15.655 4.414 ( -3.539 14.662 4.190) 15.655 4.571 ( -0.960 5.976 -6.453) 8.847 4.571 ( -0.960 5.976 6.453) 8.847 4.775 ( -1.014 3.271 -1.424) 3.709 4.775 ( -1.014 3.271 1.424) 3.709 5.248 ( 4.552 4.676 -1.619) 6.724 5.248 ( 4.552 4.676 1.619) 6.724 5.591 ( 0.745 6.380 -1.661) 6.635 5.591 ( 0.745 6.380 1.661) 6.635 5.654 ( -3.732 4.796 -1.651) 6.297 5.654 ( -3.732 4.796 1.651) 6.297 5.931 ( 2.326 -11.888 -2.449) 12.358 5.931 ( 2.326 -11.888 2.449) 12.358 7.102 ( 9.552 -0.982 -1.808) 9.771 7.102 ( 9.552 -0.982 1.808) 9.771 7.420 ( 4.024 3.319 -4.615) 6.965 7.420 ( 4.024 3.319 4.615) 6.965 7.558 ( 3.480 3.956 -11.240) 12.414 7.558 ( 3.480 3.956 11.240) 12.414 7.776 ( -10.647 2.610 -7.561) 13.317 7.776 ( -10.647 2.610 7.561) 13.317 8.293 ( -2.650 13.602 -0.805) 13.881 8.293 ( -2.650 13.602 0.805) 13.881 8.453 ( 1.762 1.813 -0.675) 2.616 8.453 ( 1.762 1.813 0.675) 2.616 8.842 ( -0.167 0.261 -5.363) 5.372 8.842 ( -0.167 0.261 5.363) 5.372 9.105 ( 4.510 -1.711 -8.331) 9.626 9.105 ( 4.510 -1.711 8.331) 9.626 9.505 ( -3.995 3.410 -4.001) 6.603 9.505 ( -3.995 3.410 4.001) 6.603 9.677 ( -3.438 11.185 -2.102) 11.889 9.677 ( -3.438 11.185 2.102) 11.889 10.018 ( -1.134 3.135 -1.617) 3.705 10.018 ( -1.134 3.135 1.617) 3.705 11.068 ( 2.033 -5.070 -1.765) 5.740 11.068 ( 2.033 -5.070 1.765) 5.740 11.632 ( 7.459 -8.679 -3.237) 11.892 11.632 ( 7.459 -8.679 3.237) 11.892 11.908 ( -7.517 -0.484 -2.299) 7.876 11.908 ( -7.517 -0.484 2.299) 7.876 12.288 ( -1.277 -12.670 -1.828) 12.865 12.288 ( -1.277 -12.670 1.828) 12.865 12.403 ( -2.719 -7.189 -0.778) 7.726 12.403 ( -2.719 -7.189 0.778) 7.726 12.736 ( 1.383 -13.992 -1.733) 14.166 12.736 ( 1.383 -13.992 1.733) 14.166 13.052 ( -0.254 -6.335 -2.350) 6.761 13.052 ( -0.254 -6.335 2.350) 6.761 15.612 ( 1.279 6.168 -1.344) 6.441 15.612 ( 1.279 6.168 1.344) 6.441 16.043 ( 4.239 -11.295 -3.784) 12.644 16.043 ( 4.239 -11.295 3.784) 12.644 16.145 ( -4.766 -10.881 -2.931) 12.235 16.145 ( -4.766 -10.881 2.931) 12.235 16.508 ( -0.009 -8.680 -0.930) 8.730 16.508 ( -0.009 -8.680 0.930) 8.730======================= Grid point 190 (61/72) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 0.000 9.410 -0.006) 9.410 1.849 ( 0.000 9.410 0.006) 9.410 2.316 ( 0.000 16.210 -2.382) 16.384 2.316 ( 0.000 16.210 2.382) 16.384 2.373 ( 0.000 6.257 -1.499) 6.435 2.373 ( 0.000 6.257 1.499) 6.435 2.486 ( 0.000 0.088 -3.129) 3.130 2.486 ( 0.000 0.088 3.129) 3.130 2.676 ( 0.000 11.113 -3.811) 11.748 2.676 ( 0.000 11.113 3.811) 11.748 3.142 ( 0.000 -2.760 -9.257) 9.660 3.142 ( 0.000 -2.760 9.257) 9.660 3.343 ( 0.000 5.745 -6.185) 8.441 3.343 ( 0.000 5.745 6.185) 8.441 3.577 ( 0.000 4.107 -5.877) 7.170 3.577 ( 0.000 4.107 5.877) 7.170 3.829 ( 0.000 9.008 -2.019) 9.231 3.829 ( 0.000 9.008 2.019) 9.231 3.941 ( 0.000 0.758 -7.308) 7.347 3.941 ( 0.000 0.758 7.308) 7.347 4.133 ( 0.000 9.849 -4.514) 10.834 4.133 ( 0.000 9.849 4.514) 10.834 4.394 ( 0.000 11.815 -4.435) 12.620 4.394 ( 0.000 11.815 4.435) 12.620 4.507 ( 0.000 1.714 -0.009) 1.714 4.507 ( 0.000 1.714 0.009) 1.714 4.605 ( 0.000 16.234 -6.124) 17.351 4.605 ( 0.000 16.234 6.124) 17.351 4.865 ( 0.000 11.087 -3.520) 11.633 4.865 ( 0.000 11.087 3.520) 11.633 4.905 ( 0.000 17.613 -3.357) 17.930 4.905 ( 0.000 17.613 3.357) 17.930 5.279 ( 0.000 3.356 -6.903) 7.676 5.279 ( 0.000 3.356 6.903) 7.676 5.690 ( 0.000 8.292 -4.545) 9.456 5.690 ( 0.000 8.292 4.545) 9.456 5.739 ( 0.000 3.282 -1.749) 3.719 5.739 ( 0.000 3.282 1.749) 3.719 5.927 ( 0.000 10.010 -1.824) 10.175 5.927 ( 0.000 10.010 1.824) 10.175 6.717 ( 0.000 4.056 -3.046) 5.073 6.717 ( 0.000 4.056 3.046) 5.073 7.208 ( 0.000 1.769 -5.603) 5.875 7.208 ( 0.000 1.769 5.603) 5.875 7.684 ( 0.000 2.982 -8.247) 8.769 7.684 ( 0.000 2.982 8.247) 8.769 8.012 ( 0.000 -4.205 -5.520) 6.939 8.012 ( 0.000 -4.205 5.520) 6.939 8.586 ( 0.000 2.842 -9.094) 9.528 8.586 ( 0.000 2.842 9.094) 9.528 8.639 ( 0.000 6.507 -3.225) 7.263 8.639 ( 0.000 6.507 3.225) 7.263 8.800 ( 0.000 -0.898 -17.443) 17.466 8.800 ( 0.000 -0.898 17.443) 17.466 8.924 ( 0.000 5.094 -4.737) 6.956 8.924 ( 0.000 5.094 4.737) 6.956 9.700 ( 0.000 4.251 -9.052) 10.001 9.700 ( 0.000 4.251 9.052) 10.001 9.964 ( 0.000 -3.793 -11.403) 12.018 9.964 ( 0.000 -3.793 11.403) 12.018 10.106 ( 0.000 8.826 -3.929) 9.661 10.106 ( 0.000 8.826 3.929) 9.661 10.937 ( 0.000 -1.890 -0.818) 2.059 10.937 ( 0.000 -1.890 0.818) 2.059 11.262 ( 0.000 -7.616 -12.785) 14.881 11.262 ( 0.000 -7.616 12.785) 14.881 11.899 ( 0.000 -7.244 -1.340) 7.366 11.899 ( 0.000 -7.244 1.340) 7.366 12.184 ( 0.000 -17.847 -4.910) 18.510 12.184 ( 0.000 -17.847 4.910) 18.510 12.259 ( 0.000 -6.375 -8.099) 10.307 12.259 ( 0.000 -6.375 8.099) 10.307 12.423 ( 0.000 -12.468 -6.254) 13.948 12.423 ( 0.000 -12.468 6.254) 13.948 13.155 ( 0.000 6.517 -3.384) 7.343 13.155 ( 0.000 6.517 3.384) 7.343 15.584 ( 0.000 -7.096 -6.024) 9.308 15.584 ( 0.000 -7.096 6.024) 9.308 15.778 ( 0.000 -4.825 -4.948) 6.911 15.778 ( 0.000 -4.825 4.948) 6.911 15.919 ( 0.000 -15.726 -1.869) 15.837 15.919 ( 0.000 -15.726 1.869) 15.837 16.423 ( 0.000 -0.676 -4.550) 4.600 16.423 ( 0.000 -0.676 4.550) 4.600======================= Grid point 192 (62/72) =======================q-point: ( 0.20 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( -0.539 9.871 -1.202) 9.958 1.842 ( -0.539 9.871 1.202) 9.958 2.274 ( -1.258 14.381 -5.371) 15.403 2.274 ( -1.258 14.381 5.371) 15.403 2.387 ( -4.691 6.155 -2.561) 8.151 2.387 ( -4.691 6.155 2.561) 8.151 2.526 ( 7.789 3.145 -3.199) 8.988 2.526 ( 7.789 3.145 3.199) 8.988 2.700 ( 0.725 7.295 -5.989) 9.466 2.700 ( 0.725 7.295 5.989) 9.466 3.039 ( -3.516 2.291 -9.247) 10.154 3.039 ( -3.516 2.291 9.247) 10.154 3.427 ( -1.394 -0.758 -9.126) 9.263 3.427 ( -1.394 -0.758 9.126) 9.263 3.542 ( -0.009 9.050 -6.801) 11.321 3.542 ( -0.009 9.050 6.801) 11.321 3.792 ( -3.600 3.734 -1.795) 5.489 3.792 ( -3.600 3.734 1.795) 5.489 3.902 ( -2.897 8.643 -8.058) 12.167 3.902 ( -2.897 8.643 8.058) 12.167 4.123 ( 1.030 6.363 -1.963) 6.738 4.123 ( 1.030 6.363 1.963) 6.738 4.372 ( -2.037 4.346 -2.705) 5.509 4.372 ( -2.037 4.346 2.705) 5.509 4.537 ( 1.290 14.265 -2.751) 14.584 4.537 ( 1.290 14.265 2.751) 14.584 4.642 ( 3.430 9.512 -3.154) 10.592 4.642 ( 3.430 9.512 3.154) 10.592 4.834 ( -0.960 14.980 -3.793) 15.482 4.834 ( -0.960 14.980 3.793) 15.482 4.929 ( 0.391 14.198 -5.126) 15.100 4.929 ( 0.391 14.198 5.126) 15.100 5.359 ( 7.180 7.903 -5.442) 11.984 5.359 ( 7.180 7.903 5.442) 11.984 5.696 ( 0.319 4.595 -3.347) 5.694 5.696 ( 0.319 4.595 3.347) 5.694 5.727 ( -0.837 3.358 -2.242) 4.124 5.727 ( -0.837 3.358 2.242) 4.124 5.902 ( -2.357 11.075 -1.613) 11.437 5.902 ( -2.357 11.075 1.613) 11.437 6.845 ( 11.540 2.515 -3.339) 12.274 6.845 ( 11.540 2.515 3.339) 12.274 7.299 ( 8.419 1.710 -5.436) 10.166 7.299 ( 8.419 1.710 5.436) 10.166 7.654 ( -2.961 2.942 -8.697) 9.647 7.654 ( -2.961 2.942 8.697) 9.647 7.955 ( -5.533 -2.909 -5.138) 8.091 7.955 ( -5.533 -2.909 5.138) 8.091 8.528 ( -3.292 4.014 -3.557) 6.293 8.528 ( -3.292 4.014 3.557) 6.293 8.571 ( -5.047 4.562 -4.566) 8.194 8.571 ( -5.047 4.562 4.566) 8.194 8.882 ( 1.014 -1.480 -5.538) 5.822 8.882 ( 1.014 -1.480 5.538) 5.822 8.950 ( 5.894 4.701 -4.224) 8.642 8.950 ( 5.894 4.701 4.224) 8.642 9.666 ( -3.402 4.021 -8.424) 9.935 9.666 ( -3.402 4.021 8.424) 9.935 9.858 ( -7.113 -2.572 -6.291) 9.838 9.858 ( -7.113 -2.572 6.291) 9.838 10.166 ( 3.451 10.317 -1.895) 11.042 10.166 ( 3.451 10.317 1.895) 11.042 10.953 ( 1.347 -2.635 -0.530) 3.006 10.953 ( 1.347 -2.635 0.530) 3.006 11.319 ( 5.323 -9.203 -10.643) 15.043 11.319 ( 5.323 -9.203 10.643) 15.043 11.872 ( -2.513 -8.727 -3.692) 9.804 11.872 ( -2.513 -8.727 3.692) 9.804 12.134 ( -4.565 -14.810 -4.352) 16.097 12.134 ( -4.565 -14.810 4.352) 16.097 12.258 ( -0.182 -7.115 -8.163) 10.831 12.258 ( -0.182 -7.115 8.163) 10.831 12.457 ( 3.142 -10.135 -4.729) 11.617 12.457 ( 3.142 -10.135 4.729) 11.617 13.090 ( -5.756 3.727 -6.300) 9.312 13.090 ( -5.756 3.727 6.300) 9.312 15.592 ( 0.545 -8.159 -4.684) 9.423 15.592 ( 0.545 -8.159 4.684) 9.423 15.784 ( 1.301 -5.810 -3.263) 6.789 15.784 ( 1.301 -5.810 3.263) 6.789 15.934 ( 0.559 -12.878 -4.190) 13.554 15.934 ( 0.559 -12.878 4.190) 13.554 16.424 ( 0.165 -0.695 -3.855) 3.921 16.424 ( 0.165 -0.695 3.855) 3.921======================= Grid point 194 (63/72) =======================q-point: ( 0.40 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 0.339 8.450 -1.076) 8.525 1.840 ( 0.339 8.450 1.076) 8.525 2.252 ( -3.097 12.335 -4.751) 13.577 2.252 ( -3.097 12.335 4.751) 13.577 2.299 ( -0.397 10.683 -3.417) 11.223 2.299 ( -0.397 10.683 3.417) 11.223 2.594 ( -2.100 3.941 -4.361) 6.242 2.594 ( -2.100 3.941 4.361) 6.242 2.817 ( 11.841 4.308 -3.262) 13.016 2.817 ( 11.841 4.308 3.262) 13.016 3.038 ( -0.351 4.484 -4.435) 6.317 3.038 ( -0.351 4.484 4.435) 6.317 3.261 ( -9.295 -2.955 -6.081) 11.494 3.261 ( -9.295 -2.955 6.081) 11.494 3.538 ( -2.000 5.586 -4.781) 7.620 3.538 ( -2.000 5.586 4.781) 7.620 3.758 ( 0.768 8.890 -3.754) 9.681 3.758 ( 0.768 8.890 3.754) 9.681 3.851 ( -2.038 14.001 -4.193) 14.757 3.851 ( -2.038 14.001 4.193) 14.757 4.194 ( 5.190 0.481 -7.451) 9.093 4.194 ( 5.190 0.481 7.451) 9.093 4.304 ( -4.583 0.783 -6.151) 7.710 4.304 ( -4.583 0.783 6.151) 7.710 4.581 ( 2.994 15.279 -4.594) 16.233 4.581 ( 2.994 15.279 4.594) 16.233 4.661 ( -1.799 11.447 -4.617) 12.473 4.661 ( -1.799 11.447 4.617) 12.473 4.857 ( 2.699 17.832 -8.484) 19.932 4.857 ( 2.699 17.832 8.484) 19.932 4.914 ( -1.635 13.036 -7.982) 15.373 4.914 ( -1.635 13.036 7.982) 15.373 5.508 ( 5.790 15.547 -2.901) 16.842 5.508 ( 5.790 15.547 2.901) 16.842 5.684 ( -1.446 -8.226 -3.650) 9.115 5.684 ( -1.446 -8.226 3.650) 9.115 5.721 ( 0.100 6.787 -1.583) 6.970 5.721 ( 0.100 6.787 1.583) 6.970 5.851 ( -1.998 13.079 -0.946) 13.264 5.851 ( -1.998 13.079 0.946) 13.264 7.098 ( 10.905 0.772 -3.454) 11.465 7.098 ( 10.905 0.772 3.454) 11.465 7.440 ( -0.156 -0.196 -3.643) 3.652 7.440 ( -0.156 -0.196 3.643) 3.652 7.628 ( 5.670 3.280 -6.556) 9.267 7.628 ( 5.670 3.280 6.556) 9.267 7.809 ( -8.758 0.994 -3.366) 9.436 7.809 ( -8.758 0.994 3.366) 9.436 8.462 ( -2.991 4.097 -0.370) 5.086 8.462 ( -2.991 4.097 0.370) 5.086 8.508 ( -0.771 2.583 -0.613) 2.765 8.508 ( -0.771 2.583 0.613) 2.765 8.850 ( -1.856 0.406 -2.251) 2.946 8.850 ( -1.856 0.406 2.251) 2.946 9.085 ( 4.719 0.416 -3.883) 6.125 9.085 ( 4.719 0.416 3.883) 6.125 9.579 ( -3.786 4.716 -4.541) 7.563 9.579 ( -3.786 4.716 4.541) 7.563 9.757 ( -2.396 -2.157 -2.351) 3.990 9.757 ( -2.396 -2.157 2.351) 3.990 10.213 ( 1.157 13.709 -0.852) 13.784 10.213 ( 1.157 13.709 0.852) 13.784 10.978 ( 0.858 -3.922 -0.205) 4.020 10.978 ( 0.858 -3.922 0.205) 4.020 11.436 ( 4.618 -11.928 -4.413) 13.530 11.436 ( 4.618 -11.928 4.413) 13.530 11.817 ( -2.174 -13.480 -2.064) 13.809 11.817 ( -2.174 -13.480 2.064) 13.809 12.040 ( -3.496 -6.419 -1.779) 7.523 12.040 ( -3.496 -6.419 1.779) 7.523 12.249 ( -0.452 -7.721 -3.134) 8.345 12.249 ( -0.452 -7.721 3.134) 8.345 12.527 ( 2.797 -6.263 -1.290) 6.979 12.527 ( 2.797 -6.263 1.290) 6.979 12.975 ( -4.166 -2.036 -4.418) 6.405 12.975 ( -4.166 -2.036 4.418) 6.405 15.599 ( 0.150 -9.300 -1.634) 9.444 15.599 ( 0.150 -9.300 1.634) 9.444 15.833 ( 2.846 -11.078 -1.374) 11.520 15.833 ( 2.846 -11.078 1.374) 11.520 15.919 ( -1.772 -4.754 -3.030) 5.910 15.919 ( -1.772 -4.754 3.030) 5.910 16.430 ( 0.305 -1.233 -1.493) 1.960 16.430 ( 0.305 -1.233 1.493) 1.960======================= Grid point 200 (64/72) =======================q-point: ( 0.00 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 0.000 5.719 -0.526) 5.743 1.999 ( 0.000 5.719 0.526) 5.743 2.457 ( 0.000 -2.225 -0.180) 2.232 2.457 ( 0.000 -2.225 0.180) 2.232 2.498 ( 0.000 8.398 -1.541) 8.538 2.498 ( 0.000 8.398 1.541) 8.538 2.645 ( 0.000 13.529 -0.353) 13.533 2.645 ( 0.000 13.529 0.353) 13.533 2.904 ( 0.000 10.554 -4.900) 11.636 2.904 ( 0.000 10.554 4.900) 11.636 3.080 ( 0.000 -2.774 -9.581) 9.975 3.080 ( 0.000 -2.774 9.581) 9.975 3.396 ( 0.000 0.409 -9.255) 9.264 3.396 ( 0.000 0.409 9.255) 9.264 3.542 ( 0.000 -5.572 -1.815) 5.860 3.542 ( 0.000 -5.572 1.815) 5.860 3.878 ( 0.000 -2.044 -0.424) 2.088 3.878 ( 0.000 -2.044 0.424) 2.088 3.935 ( 0.000 -2.737 -2.488) 3.699 3.935 ( 0.000 -2.737 2.488) 3.699 4.308 ( 0.000 8.509 -0.903) 8.556 4.308 ( 0.000 8.509 0.903) 8.556 4.507 ( 0.000 2.344 -0.217) 2.354 4.507 ( 0.000 2.344 0.217) 2.354 4.564 ( 0.000 3.461 -0.489) 3.496 4.564 ( 0.000 3.461 0.489) 3.496 4.881 ( 0.000 7.513 -3.666) 8.360 4.881 ( 0.000 7.513 3.666) 8.360 5.059 ( 0.000 8.490 -4.915) 9.810 5.059 ( 0.000 8.490 4.915) 9.810 5.222 ( 0.000 3.500 -0.633) 3.557 5.222 ( 0.000 3.500 0.633) 3.557 5.357 ( 0.000 17.173 -3.244) 17.477 5.357 ( 0.000 17.173 3.244) 17.477 5.757 ( 0.000 -0.223 -1.517) 1.533 5.757 ( 0.000 -0.223 1.517) 1.533 6.016 ( 0.000 18.575 -0.963) 18.600 6.016 ( 0.000 18.575 0.963) 18.600 6.167 ( 0.000 12.358 -1.051) 12.403 6.167 ( 0.000 12.358 1.051) 12.403 6.853 ( 0.000 8.706 -3.051) 9.225 6.853 ( 0.000 8.706 3.051) 9.225 7.234 ( 0.000 0.274 -6.671) 6.677 7.234 ( 0.000 0.274 6.671) 6.677 7.756 ( 0.000 4.245 -7.310) 8.453 7.756 ( 0.000 4.245 7.310) 8.453 7.929 ( 0.000 -2.592 -4.546) 5.233 7.929 ( 0.000 -2.592 4.546) 5.233 8.539 ( 0.000 -3.911 -7.205) 8.198 8.539 ( 0.000 -3.911 7.205) 8.198 8.672 ( 0.000 -8.309 -11.978) 14.578 8.672 ( 0.000 -8.309 11.978) 14.578 8.843 ( 0.000 10.825 -6.943) 12.861 8.843 ( 0.000 10.825 6.943) 12.861 9.097 ( 0.000 9.317 -6.585) 11.409 9.097 ( 0.000 9.317 6.585) 11.409 9.775 ( 0.000 2.727 -10.597) 10.942 9.775 ( 0.000 2.727 10.597) 10.942 9.868 ( 0.000 -5.550 -12.172) 13.377 9.868 ( 0.000 -5.550 12.172) 13.377 10.234 ( 0.000 3.111 -0.436) 3.142 10.234 ( 0.000 3.111 0.436) 3.142 10.885 ( 0.000 -3.358 -5.265) 6.245 10.885 ( 0.000 -3.358 5.265) 6.245 11.106 ( 0.000 -6.321 -10.161) 11.967 11.106 ( 0.000 -6.321 10.161) 11.967 11.700 ( 0.000 -21.330 -0.283) 21.332 11.700 ( 0.000 -21.330 0.283) 21.332 11.903 ( 0.000 -1.174 -1.888) 2.223 11.903 ( 0.000 -1.174 1.888) 2.223 12.174 ( 0.000 -2.964 -5.015) 5.826 12.174 ( 0.000 -2.964 5.015) 5.826 12.236 ( 0.000 -6.398 -1.024) 6.479 12.236 ( 0.000 -6.398 1.024) 6.479 13.270 ( 0.000 4.680 -3.609) 5.910 13.270 ( 0.000 4.680 3.609) 5.910 15.347 ( 0.000 -12.531 -4.900) 13.455 15.347 ( 0.000 -12.531 4.900) 13.455 15.625 ( 0.000 -12.396 -0.690) 12.416 15.625 ( 0.000 -12.396 0.690) 12.416 15.788 ( 0.000 2.097 -6.069) 6.421 15.788 ( 0.000 2.097 6.069) 6.421 16.435 ( 0.000 1.015 -4.770) 4.877 16.435 ( 0.000 1.015 4.770) 4.877======================= Grid point 202 (65/72) =======================q-point: ( 0.20 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( -0.093 6.240 -1.312) 6.377 2.001 ( -0.093 6.240 1.312) 6.377 2.420 ( -1.602 0.911 -5.146) 5.467 2.420 ( -1.602 0.911 5.146) 5.467 2.549 ( 1.381 7.315 -3.639) 8.286 2.549 ( 1.381 7.315 3.639) 8.286 2.627 ( 0.077 8.594 -2.462) 8.940 2.627 ( 0.077 8.594 2.462) 8.940 2.856 ( -2.792 7.798 -4.129) 9.255 2.856 ( -2.792 7.798 4.129) 9.255 3.096 ( 2.737 2.980 -6.820) 7.930 3.096 ( 2.737 2.980 6.820) 7.930 3.397 ( -3.891 -0.486 -4.705) 6.124 3.397 ( -3.891 -0.486 4.705) 6.124 3.596 ( 3.177 -3.108 -7.714) 8.903 3.596 ( 3.177 -3.108 7.714) 8.903 3.759 ( -3.345 -3.733 -4.116) 6.486 3.759 ( -3.345 -3.733 4.116) 6.486 3.996 ( 1.445 -1.060 -3.319) 3.772 3.996 ( 1.445 -1.060 3.319) 3.772 4.270 ( -2.698 7.700 -0.792) 8.198 4.270 ( -2.698 7.700 0.792) 8.198 4.433 ( -4.352 4.575 -2.529) 6.803 4.433 ( -4.352 4.575 2.529) 6.803 4.655 ( 5.137 1.557 -2.924) 6.113 4.655 ( 5.137 1.557 2.924) 6.113 4.836 ( -2.365 7.071 -3.411) 8.200 4.836 ( -2.365 7.071 3.411) 8.200 5.132 ( 3.923 13.892 -3.912) 14.956 5.132 ( 3.923 13.892 3.912) 14.956 5.213 ( 0.530 1.560 -2.892) 3.328 5.213 ( 0.530 1.560 2.892) 3.328 5.416 ( 4.617 12.325 -3.451) 13.606 5.416 ( 4.617 12.325 3.451) 13.606 5.747 ( -0.780 0.509 -1.035) 1.393 5.747 ( -0.780 0.509 1.035) 1.393 6.019 ( 0.343 18.997 -0.526) 19.008 6.019 ( 0.343 18.997 0.526) 19.008 6.163 ( -0.552 13.302 -0.630) 13.328 6.163 ( -0.552 13.302 0.630) 13.328 6.941 ( 8.178 6.406 -2.697) 10.733 6.941 ( 8.178 6.406 2.697) 10.733 7.307 ( 6.336 -1.326 -6.034) 8.849 7.307 ( 6.336 -1.326 6.034) 8.849 7.737 ( -1.776 5.395 -6.655) 8.749 7.737 ( -1.776 5.395 6.655) 8.749 7.905 ( -2.159 -0.782 -3.297) 4.018 7.905 ( -2.159 -0.782 3.297) 4.018 8.507 ( -1.984 -3.159 -4.025) 5.487 8.507 ( -1.984 -3.159 4.025) 5.487 8.653 ( -3.811 -1.363 -7.526) 8.545 8.653 ( -3.811 -1.363 7.526) 8.545 8.838 ( 0.550 2.470 -2.168) 3.332 8.838 ( 0.550 2.470 2.168) 3.332 9.109 ( 0.961 8.750 -3.723) 9.558 9.109 ( 0.961 8.750 3.723) 9.558 9.717 ( -4.312 -2.522 -4.504) 6.726 9.717 ( -4.312 -2.522 4.504) 6.726 9.807 ( -4.705 1.723 -3.349) 6.027 9.807 ( -4.705 1.723 3.349) 6.027 10.335 ( 7.576 4.813 -1.296) 9.069 10.335 ( 7.576 4.813 1.296) 9.069 10.883 ( -0.267 -4.866 -4.156) 6.405 10.883 ( -0.267 -4.866 4.156) 6.405 11.115 ( 1.313 -8.770 -8.705) 12.427 11.115 ( 1.313 -8.770 8.705) 12.427 11.597 ( -8.262 -20.284 -2.490) 22.044 11.597 ( -8.262 -20.284 2.490) 22.044 11.953 ( 3.314 -1.708 -3.070) 4.830 11.953 ( 3.314 -1.708 3.070) 4.830 12.147 ( -1.458 -3.989 -5.391) 6.863 12.147 ( -1.458 -3.989 5.391) 6.863 12.321 ( 7.010 -3.890 -1.520) 8.160 12.321 ( 7.010 -3.890 1.520) 8.160 13.163 ( -9.799 3.101 -6.142) 11.973 13.163 ( -9.799 3.101 6.142) 11.973 15.354 ( 0.743 -12.089 -4.262) 12.840 15.354 ( 0.743 -12.089 4.262) 12.840 15.592 ( -2.332 -11.908 -1.488) 12.225 15.592 ( -2.332 -11.908 1.488) 12.225 15.867 ( 6.177 2.501 -5.684) 8.759 15.867 ( 6.177 2.501 5.684) 8.759 16.426 ( -0.833 0.309 -4.284) 4.375 16.426 ( -0.833 0.309 4.284) 4.375======================= Grid point 204 (66/72) =======================q-point: ( 0.40 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -0.746 6.525 -0.811) 6.618 1.989 ( -0.746 6.525 0.811) 6.618 2.421 ( 1.486 3.416 -6.888) 7.831 2.421 ( 1.486 3.416 6.888) 7.831 2.511 ( -2.916 9.279 -7.030) 12.001 2.511 ( -2.916 9.279 7.030) 12.001 2.623 ( -1.430 1.805 -2.877) 3.685 2.623 ( -1.430 1.805 2.877) 3.685 2.935 ( 10.348 6.347 -2.183) 12.334 2.935 ( 10.348 6.347 2.183) 12.334 3.145 ( -0.837 2.486 -6.311) 6.835 3.145 ( -0.837 2.486 6.311) 6.835 3.232 ( -9.169 4.516 -1.395) 10.316 3.232 ( -9.169 4.516 1.395) 10.316 3.554 ( -2.556 -1.497 -3.657) 4.706 3.554 ( -2.556 -1.497 3.657) 4.706 3.859 ( 7.484 -2.221 -9.754) 12.494 3.859 ( 7.484 -2.221 9.754) 12.494 3.973 ( -3.616 -1.219 -9.151) 9.915 3.973 ( -3.616 -1.219 9.151) 9.915 4.255 ( 1.958 6.281 -1.017) 6.658 4.255 ( 1.958 6.281 1.017) 6.658 4.337 ( -5.069 4.852 -0.655) 7.048 4.337 ( -5.069 4.852 0.655) 7.048 4.738 ( 3.021 1.518 -4.209) 5.399 4.738 ( 3.021 1.518 4.209) 5.399 4.801 ( -1.481 6.820 -3.868) 7.979 4.801 ( -1.481 6.820 3.868) 7.979 5.176 ( 1.125 14.987 -1.726) 15.128 5.176 ( 1.125 14.987 1.726) 15.128 5.237 ( 0.774 3.808 -2.332) 4.532 5.237 ( 0.774 3.808 2.332) 4.532 5.500 ( 2.780 5.523 -1.037) 6.270 5.500 ( 2.780 5.523 1.037) 6.270 5.733 ( -0.493 2.211 -0.255) 2.280 5.733 ( -0.493 2.211 0.255) 2.280 6.030 ( 0.530 19.694 -0.159) 19.701 6.030 ( 0.530 19.694 0.159) 19.701 6.146 ( -0.784 14.742 -0.050) 14.763 6.146 ( -0.784 14.742 0.050) 14.763 7.124 ( 7.675 1.358 -2.691) 8.246 7.124 ( 7.675 1.358 2.691) 8.246 7.405 ( 1.150 -3.593 -4.078) 5.555 7.405 ( 1.150 -3.593 4.078) 5.555 7.724 ( 1.929 6.889 -2.803) 7.684 7.724 ( 1.929 6.889 2.803) 7.684 7.851 ( -3.052 4.109 -1.122) 5.240 7.851 ( -3.052 4.109 1.122) 5.240 8.485 ( 0.107 -0.917 -4.551) 4.643 8.485 ( 0.107 -0.917 4.551) 4.643 8.548 ( -4.764 0.757 -6.246) 7.892 8.548 ( -4.764 0.757 6.246) 7.892 8.842 ( -0.369 -0.566 -1.809) 1.932 8.842 ( -0.369 -0.566 1.809) 1.932 9.135 ( 1.249 4.088 -0.771) 4.343 9.135 ( 1.249 4.088 0.771) 4.343 9.659 ( -0.976 -4.695 -2.343) 5.337 9.659 ( -0.976 -4.695 2.343) 5.337 9.717 ( -3.433 7.267 -1.428) 8.162 9.717 ( -3.433 7.267 1.428) 8.162 10.460 ( 3.665 9.769 -0.995) 10.481 10.460 ( 3.665 9.769 0.995) 10.481 10.874 ( -0.388 -8.331 -1.597) 8.491 10.874 ( -0.388 -8.331 1.597) 8.491 11.168 ( 3.333 -12.427 -3.972) 13.465 11.168 ( 3.333 -12.427 3.972) 13.465 11.430 ( -6.713 -21.366 -0.923) 22.415 11.430 ( -6.713 -21.366 0.923) 22.415 12.004 ( 1.471 -0.254 -1.978) 2.478 12.004 ( 1.471 -0.254 1.978) 2.478 12.125 ( -0.687 -4.507 -2.444) 5.173 12.125 ( -0.687 -4.507 2.444) 5.173 12.480 ( 7.155 0.873 -3.185) 7.881 12.480 ( 7.155 0.873 3.185) 7.881 12.945 ( -9.169 -1.258 -5.512) 10.772 12.945 ( -9.169 -1.258 5.512) 10.772 15.372 ( 0.812 -10.710 -2.037) 10.933 15.372 ( 0.812 -10.710 2.037) 10.933 15.552 ( -1.348 -13.555 -1.164) 13.671 15.552 ( -1.348 -13.555 1.164) 13.671 15.976 ( 3.508 5.523 -2.698) 7.077 15.976 ( 3.508 5.523 2.698) 7.077 16.407 ( -0.793 -1.554 -2.039) 2.683 16.407 ( -0.793 -1.554 2.039) 2.683======================= Grid point 210 (67/72) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 0.000 4.277 -0.977) 4.387 2.095 ( 0.000 4.277 0.977) 4.387 2.388 ( 0.000 -4.369 -1.216) 4.535 2.388 ( 0.000 -4.369 1.216) 4.535 2.670 ( 0.000 7.767 -3.261) 8.424 2.670 ( 0.000 7.767 3.261) 8.424 2.859 ( 0.000 7.791 -1.655) 7.965 2.859 ( 0.000 7.791 1.655) 7.965 3.049 ( 0.000 0.090 -6.172) 6.172 3.049 ( 0.000 0.090 6.172) 6.172 3.069 ( 0.000 4.486 -0.011) 4.486 3.069 ( 0.000 4.486 0.011) 4.486 3.340 ( 0.000 -4.418 -6.692) 8.019 3.340 ( 0.000 -4.418 6.692) 8.019 3.490 ( 0.000 1.035 -7.106) 7.181 3.490 ( 0.000 1.035 7.106) 7.181 3.813 ( 0.000 -4.653 -0.997) 4.759 3.813 ( 0.000 -4.653 0.997) 4.759 3.823 ( 0.000 -5.948 -0.840) 6.007 3.823 ( 0.000 -5.948 0.840) 6.007 4.457 ( 0.000 5.585 -0.303) 5.593 4.457 ( 0.000 5.585 0.303) 5.593 4.544 ( 0.000 1.824 -1.438) 2.323 4.544 ( 0.000 1.824 1.438) 2.323 4.623 ( 0.000 1.848 -1.592) 2.439 4.623 ( 0.000 1.848 1.592) 2.439 4.957 ( 0.000 -0.993 -3.409) 3.551 4.957 ( 0.000 -0.993 3.409) 3.551 5.027 ( 0.000 -1.009 -1.651) 1.935 5.027 ( 0.000 -1.009 1.651) 1.935 5.468 ( 0.000 12.150 -1.194) 12.209 5.468 ( 0.000 12.150 1.194) 12.209 5.602 ( 0.000 5.377 -1.046) 5.478 5.602 ( 0.000 5.377 1.046) 5.478 5.771 ( 0.000 2.744 -1.647) 3.200 5.771 ( 0.000 2.744 1.647) 3.200 6.327 ( 0.000 11.313 -0.047) 11.313 6.327 ( 0.000 11.313 0.047) 11.313 6.374 ( 0.000 7.571 -1.727) 7.765 6.374 ( 0.000 7.571 1.727) 7.765 7.022 ( 0.000 7.362 -3.947) 8.353 7.022 ( 0.000 7.362 3.947) 8.353 7.208 ( 0.000 -2.712 -5.371) 6.017 7.208 ( 0.000 -2.712 5.371) 6.017 7.837 ( 0.000 3.381 -4.294) 5.465 7.837 ( 0.000 3.381 4.294) 5.465 7.946 ( 0.000 4.115 -0.903) 4.213 7.946 ( 0.000 4.115 0.903) 4.213 8.454 ( 0.000 -7.879 -7.133) 10.628 8.454 ( 0.000 -7.879 7.133) 10.628 8.490 ( 0.000 -4.988 -4.151) 6.489 8.490 ( 0.000 -4.988 4.151) 6.489 9.100 ( 0.000 13.919 -5.822) 15.088 9.100 ( 0.000 13.919 5.822) 15.088 9.269 ( 0.000 7.818 -9.848) 12.574 9.269 ( 0.000 7.818 9.848) 12.574 9.680 ( 0.000 -10.368 -9.596) 14.127 9.680 ( 0.000 -10.368 9.596) 14.127 9.829 ( 0.000 -1.277 -13.495) 13.555 9.829 ( 0.000 -1.277 13.495) 13.555 10.262 ( 0.000 1.980 -1.879) 2.730 10.262 ( 0.000 1.980 1.879) 2.730 10.837 ( 0.000 -0.874 -3.221) 3.338 10.837 ( 0.000 -0.874 3.221) 3.338 11.028 ( 0.000 -2.752 -7.688) 8.166 11.028 ( 0.000 -2.752 7.688) 8.166 11.259 ( 0.000 -19.089 -5.104) 19.760 11.259 ( 0.000 -19.089 5.104) 19.760 11.910 ( 0.000 -0.420 -3.318) 3.344 11.910 ( 0.000 -0.420 3.318) 3.344 12.134 ( 0.000 -1.416 -3.045) 3.358 12.134 ( 0.000 -1.416 3.045) 3.358 12.174 ( 0.000 0.011 -1.157) 1.157 12.174 ( 0.000 0.011 1.157) 1.157 13.338 ( 0.000 2.174 -2.191) 3.086 13.338 ( 0.000 2.174 2.191) 3.086 15.142 ( 0.000 -7.367 -2.833) 7.893 15.142 ( 0.000 -7.367 2.833) 7.893 15.434 ( 0.000 -6.455 -0.681) 6.491 15.434 ( 0.000 -6.455 0.681) 6.491 15.830 ( 0.000 1.755 -3.770) 4.158 15.830 ( 0.000 1.755 3.770) 4.158 16.451 ( 0.000 0.560 -3.183) 3.232 16.451 ( 0.000 0.560 3.183) 3.232======================= Grid point 212 (68/72) =======================q-point: ( 0.20 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( 0.847 4.911 -1.362) 5.166 2.109 ( 0.847 4.911 1.362) 5.166 2.375 ( -0.669 -4.487 -3.398) 5.668 2.375 ( -0.669 -4.487 3.398) 5.668 2.648 ( -2.184 3.395 -2.044) 4.525 2.648 ( -2.184 3.395 2.044) 4.525 2.821 ( -3.420 8.809 -1.327) 9.542 2.821 ( -3.420 8.809 1.327) 9.542 2.994 ( -0.911 5.225 -1.929) 5.644 2.994 ( -0.911 5.225 1.929) 5.644 3.128 ( 2.572 0.758 -4.378) 5.134 3.128 ( 2.572 0.758 4.378) 5.134 3.415 ( 4.685 -1.082 -3.651) 6.037 3.415 ( 4.685 -1.082 3.651) 6.037 3.515 ( 1.536 -0.928 -2.614) 3.170 3.515 ( 1.536 -0.928 2.614) 3.170 3.693 ( -3.909 -2.019 -0.840) 4.479 3.693 ( -3.909 -2.019 0.840) 4.479 3.896 ( 1.326 -7.366 -4.174) 8.570 3.896 ( 1.326 -7.366 4.174) 8.570 4.397 ( -3.656 4.518 -0.378) 5.824 4.397 ( -3.656 4.518 0.378) 5.824 4.519 ( -2.889 2.825 -2.659) 4.837 4.519 ( -2.889 2.825 2.659) 4.837 4.692 ( 4.950 2.386 -1.520) 5.702 4.692 ( 4.950 2.386 1.520) 5.702 4.929 ( -1.096 1.680 -3.826) 4.320 4.929 ( -1.096 1.680 3.826) 4.320 5.090 ( 4.145 -3.335 -0.821) 5.383 5.090 ( 4.145 -3.335 0.821) 5.383 5.403 ( -4.073 6.647 -2.819) 8.290 5.403 ( -4.073 6.647 2.819) 8.290 5.669 ( 4.288 8.861 -2.946) 10.275 5.669 ( 4.288 8.861 2.946) 10.275 5.779 ( 0.770 3.407 -1.883) 3.968 5.779 ( 0.770 3.407 1.883) 3.968 6.333 ( 0.643 11.286 -0.542) 11.317 6.333 ( 0.643 11.286 0.542) 11.317 6.385 ( 0.774 8.119 -1.109) 8.231 6.385 ( 0.774 8.119 1.109) 8.231 7.067 ( 3.971 5.619 -2.540) 7.334 7.067 ( 3.971 5.619 2.540) 7.334 7.250 ( 3.612 -3.905 -4.678) 7.084 7.250 ( 3.612 -3.905 4.678) 7.084 7.847 ( 1.155 4.906 -3.691) 6.247 7.847 ( 1.155 4.906 3.691) 6.247 7.955 ( 0.920 5.374 -1.820) 5.748 7.955 ( 0.920 5.374 1.820) 5.748 8.437 ( -0.574 -4.538 -1.868) 4.941 8.437 ( -0.574 -4.538 1.868) 4.941 8.520 ( 1.314 -7.409 -3.612) 8.347 8.520 ( 1.314 -7.409 3.612) 8.347 8.997 ( -7.423 10.345 -3.266) 13.145 8.997 ( -7.423 10.345 3.266) 13.145 9.270 ( -2.673 5.841 -5.939) 8.748 9.270 ( -2.673 5.841 5.939) 8.748 9.605 ( -2.564 -4.756 -5.050) 7.396 9.605 ( -2.564 -4.756 5.050) 7.396 9.881 ( 1.779 1.533 -7.155) 7.531 9.881 ( 1.779 1.533 7.155) 7.531 10.338 ( 7.134 -2.051 -2.135) 7.724 10.338 ( 7.134 -2.051 2.135) 7.724 10.804 ( -3.489 -2.043 -2.810) 4.924 10.804 ( -3.489 -2.043 2.810) 4.924 11.005 ( -1.592 -3.861 -4.694) 6.283 11.005 ( -1.592 -3.861 4.694) 6.283 11.190 ( -5.993 -16.953 -4.213) 18.468 11.190 ( -5.993 -16.953 4.213) 18.468 11.939 ( 2.550 -0.972 -3.809) 4.686 11.939 ( 2.550 -0.972 3.809) 4.686 12.104 ( -1.757 -0.687 -3.383) 3.873 12.104 ( -1.757 -0.687 3.383) 3.873 12.288 ( 9.673 0.040 -1.407) 9.774 12.288 ( 9.673 0.040 1.407) 9.774 13.208 ( -12.035 1.409 -3.755) 12.686 13.208 ( -12.035 1.409 3.755) 12.686 15.159 ( 1.768 -6.915 -2.723) 7.639 15.159 ( 1.768 -6.915 2.723) 7.639 15.402 ( -2.989 -6.629 -1.463) 7.417 15.402 ( -2.989 -6.629 1.463) 7.417 15.923 ( 8.088 2.435 -3.724) 9.231 15.923 ( 8.088 2.435 3.724) 9.231 16.429 ( -2.303 -0.040 -3.079) 3.845 16.429 ( -2.303 -0.040 3.079) 3.845======================= Grid point 214 (69/72) =======================q-point: ( 0.40 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( -0.388 6.070 -0.765) 6.130 2.111 ( -0.388 6.070 0.765) 6.130 2.382 ( 0.906 -5.799 -3.048) 6.614 2.382 ( 0.906 -5.799 3.048) 6.614 2.616 ( -0.208 3.132 -3.566) 4.751 2.616 ( -0.208 3.132 3.566) 4.751 2.729 ( -4.416 4.893 -0.917) 6.655 2.729 ( -4.416 4.893 0.917) 6.655 3.032 ( 2.819 3.946 -1.264) 5.012 3.032 ( 2.819 3.946 1.264) 5.012 3.168 ( 1.497 1.599 -4.294) 4.820 3.168 ( 1.497 1.599 4.294) 4.820 3.408 ( -4.208 9.226 -4.792) 11.216 3.408 ( -4.208 9.226 4.792) 11.216 3.529 ( 1.384 0.408 -3.088) 3.408 3.529 ( 1.384 0.408 3.088) 3.408 3.749 ( 6.233 -6.340 -6.769) 11.174 3.749 ( 6.233 -6.340 6.769) 11.174 3.870 ( -3.481 -7.849 -7.923) 11.684 3.870 ( -3.481 -7.849 7.923) 11.684 4.364 ( 1.029 3.862 -1.813) 4.389 4.364 ( 1.029 3.862 1.813) 4.389 4.435 ( -4.784 3.157 -2.385) 6.208 4.435 ( -4.784 3.157 2.385) 6.208 4.777 ( 2.809 3.200 -1.322) 4.458 4.777 ( 2.809 3.200 1.322) 4.458 4.915 ( -0.558 2.873 -2.075) 3.588 4.915 ( -0.558 2.873 2.075) 3.588 5.160 ( 2.338 -2.634 -0.537) 3.563 5.160 ( 2.338 -2.634 0.537) 3.563 5.341 ( -1.867 0.943 -1.493) 2.569 5.341 ( -1.867 0.943 1.493) 2.569 5.733 ( 1.711 10.163 -1.395) 10.400 5.733 ( 1.711 10.163 1.395) 10.400 5.795 ( 0.549 4.362 -1.081) 4.528 5.795 ( 0.549 4.362 1.081) 4.528 6.350 ( 0.859 11.411 -0.441) 11.452 6.350 ( 0.859 11.411 0.441) 11.452 6.392 ( -0.122 8.968 -0.270) 8.973 6.392 ( -0.122 8.968 0.270) 8.973 7.149 ( 3.121 1.564 -1.220) 3.699 7.149 ( 3.121 1.564 1.220) 3.699 7.308 ( 1.331 -5.458 -2.497) 6.148 7.308 ( 1.331 -5.458 2.497) 6.148 7.891 ( 2.692 8.854 -1.223) 9.335 7.891 ( 2.692 8.854 1.223) 9.335 7.973 ( 0.447 7.075 -1.462) 7.239 7.973 ( 0.447 7.075 1.462) 7.239 8.445 ( 1.708 -2.979 -3.849) 5.158 8.445 ( 1.708 -2.979 3.849) 5.158 8.504 ( -3.009 -4.762 -5.539) 7.900 8.504 ( -3.009 -4.762 5.539) 7.900 8.881 ( -3.003 5.139 -1.522) 6.144 8.881 ( -3.003 5.139 1.522) 6.144 9.177 ( -4.010 -2.683 -2.782) 5.570 9.177 ( -4.010 -2.683 2.782) 5.570 9.613 ( 1.570 4.082 -1.608) 4.660 9.613 ( 1.570 4.082 1.608) 4.660 9.882 ( -0.827 6.263 -2.764) 6.896 9.882 ( -0.827 6.263 2.764) 6.896 10.514 ( 9.457 -7.263 -3.079) 12.315 10.514 ( 9.457 -7.263 3.079) 12.315 10.692 ( -7.493 -4.425 -3.567) 9.405 10.692 ( -7.493 -4.425 3.567) 9.405 10.996 ( 1.202 -7.272 -1.202) 7.468 10.996 ( 1.202 -7.272 1.202) 7.468 11.065 ( -5.418 -11.328 -2.055) 12.724 11.065 ( -5.418 -11.328 2.055) 12.724 11.994 ( 2.474 -0.723 -3.065) 4.005 11.994 ( 2.474 -0.723 3.065) 4.005 12.065 ( -1.963 -1.684 -2.756) 3.779 12.065 ( -1.963 -1.684 2.756) 3.779 12.528 ( 12.777 2.952 -3.433) 13.556 12.528 ( 12.777 2.952 3.433) 13.556 12.920 ( -14.381 -1.242 -4.314) 15.065 12.920 ( -14.381 -1.242 4.314) 15.065 15.208 ( 2.620 -5.438 -1.934) 6.339 15.208 ( 2.620 -5.438 1.934) 6.339 15.332 ( -3.213 -7.943 -1.513) 8.701 15.332 ( -3.213 -7.943 1.513) 8.701 16.089 ( 6.555 5.244 -2.414) 8.735 16.089 ( 6.555 5.244 2.414) 8.735 16.364 ( -3.371 -2.539 -2.115) 4.721 16.364 ( -3.371 -2.539 2.115) 4.721======================= Grid point 220 (70/72) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 0.000 0.000 -0.000) 0.000 2.153 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 -0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 -0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 -0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 -0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 -0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 -0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 -0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 -0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 -0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 -0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 -0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 -0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 -0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 -0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 -0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 -0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 -0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 -0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 -0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 -0.000 -0.000) 0.000 7.148 ( 0.000 -0.000 0.000) 0.000 7.875 ( 0.000 0.000 -0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 -0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 -0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 -0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 -0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 0.000 -0.000) 0.000 9.790 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 -0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 -0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 10.959 ( 0.000 0.000 -0.000) 0.000 10.959 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 -0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 -0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 12.119 ( 0.000 0.000 -0.000) 0.000 12.119 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 -0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 15.067 ( 0.000 0.000 -0.000) 0.000 15.067 ( 0.000 0.000 0.000) 0.000 15.370 ( 0.000 0.000 -0.000) 0.000 15.370 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 -0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 -0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000======================= Grid point 224 (71/72) =======================q-point: ( 0.20 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 2.482 0.000 -0.000) 2.482 2.181 ( 2.482 0.000 0.000) 2.482 2.301 ( -2.088 0.000 -0.000) 2.088 2.301 ( -2.088 0.000 0.000) 2.088 2.684 ( -4.609 0.000 -0.000) 4.609 2.684 ( -4.609 0.000 0.000) 4.609 2.917 ( -5.392 0.000 -0.000) 5.392 2.917 ( -5.392 0.000 0.000) 5.392 3.056 ( 1.074 0.000 -0.000) 1.074 3.056 ( 1.074 0.000 0.000) 1.074 3.136 ( 4.091 0.000 -0.000) 4.091 3.136 ( 4.091 0.000 0.000) 4.091 3.366 ( 5.202 0.000 -0.000) 5.202 3.366 ( 5.202 0.000 0.000) 5.202 3.535 ( 2.362 0.000 -0.000) 2.362 3.535 ( 2.362 0.000 0.000) 2.362 3.711 ( -1.231 0.000 -0.000) 1.231 3.711 ( -1.231 0.000 0.000) 1.231 3.772 ( -0.919 0.000 -0.000) 0.919 3.772 ( -0.919 0.000 0.000) 0.919 4.444 ( -4.031 0.000 -0.000) 4.031 4.444 ( -4.031 0.000 0.000) 4.031 4.542 ( -2.899 0.000 -0.000) 2.899 4.542 ( -2.899 0.000 0.000) 2.899 4.725 ( 6.020 0.000 -0.000) 6.020 4.725 ( 6.020 0.000 0.000) 6.020 4.922 ( -0.065 0.000 -0.000) 0.065 4.922 ( -0.065 0.000 0.000) 0.065 5.078 ( 3.761 0.000 -0.000) 3.761 5.078 ( 3.761 0.000 0.000) 3.761 5.452 ( -7.707 0.000 -0.000) 7.707 5.452 ( -7.707 0.000 0.000) 7.707 5.760 ( 5.649 0.000 -0.000) 5.649 5.760 ( 5.649 0.000 0.000) 5.649 5.828 ( 1.171 0.000 -0.000) 1.171 5.828 ( 1.171 0.000 0.000) 1.171 6.448 ( 0.554 0.000 -0.000) 0.554 6.448 ( 0.554 0.000 0.000) 0.554 6.468 ( 1.312 0.000 -0.000) 1.312 6.468 ( 1.312 0.000 0.000) 1.312 7.155 ( 0.953 0.000 -0.000) 0.953 7.155 ( 0.953 0.000 0.000) 0.953 7.175 ( 3.808 -0.000 -0.000) 3.808 7.175 ( 3.808 -0.000 0.000) 3.808 7.903 ( 3.192 0.000 -0.000) 3.192 7.903 ( 3.192 0.000 0.000) 3.192 8.042 ( 1.829 0.000 -0.000) 1.829 8.042 ( 1.829 0.000 0.000) 1.829 8.344 ( 1.754 0.000 -0.000) 1.754 8.344 ( 1.754 0.000 0.000) 1.754 8.456 ( -0.153 0.000 -0.000) 0.153 8.456 ( -0.153 0.000 0.000) 0.153 9.159 ( -9.233 0.000 -0.000) 9.233 9.159 ( -9.233 0.000 0.000) 9.233 9.269 ( -11.097 0.000 -0.000) 11.097 9.269 ( -11.097 0.000 0.000) 11.097 9.608 ( 8.763 0.000 -0.000) 8.763 9.608 ( 8.763 0.000 0.000) 8.763 9.841 ( 3.158 0.000 -0.000) 3.158 9.841 ( 3.158 0.000 0.000) 3.158 10.345 ( 3.124 0.000 -0.000) 3.124 10.345 ( 3.124 0.000 0.000) 3.124 10.762 ( -6.473 0.000 -0.000) 6.473 10.762 ( -6.473 0.000 0.000) 6.473 10.942 ( -1.072 0.000 -0.000) 1.072 10.942 ( -1.072 0.000 0.000) 1.072 11.038 ( -3.543 0.000 -0.000) 3.543 11.038 ( -3.543 0.000 0.000) 3.543 11.925 ( 2.421 0.000 -0.000) 2.421 11.925 ( 2.421 0.000 0.000) 2.421 12.099 ( -1.831 0.000 -0.000) 1.831 12.099 ( -1.831 0.000 0.000) 1.831 12.294 ( 10.245 0.000 -0.000) 10.245 12.294 ( 10.245 0.000 0.000) 10.245 13.221 ( -12.771 0.000 -0.000) 12.771 13.221 ( -12.771 0.000 0.000) 12.771 15.089 ( 2.250 0.000 -0.000) 2.250 15.089 ( 2.250 0.000 0.000) 2.250 15.335 ( -3.304 0.000 -0.000) 3.304 15.335 ( -3.304 0.000 0.000) 3.304 15.949 ( 8.944 0.000 -0.000) 8.944 15.949 ( 8.944 0.000 0.000) 8.944 16.428 ( -3.035 0.000 -0.000) 3.035 16.428 ( -3.035 0.000 0.000) 3.035======================= Grid point 228 (72/72) =======================q-point: ( 0.40 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 1.789 -0.000 -0.000) 1.789 2.229 ( 1.789 -0.000 0.000) 1.789 2.259 ( -1.718 0.000 -0.000) 1.718 2.259 ( -1.718 0.000 0.000) 1.718 2.652 ( 2.325 0.000 -0.000) 2.325 2.652 ( 2.325 0.000 0.000) 2.325 2.767 ( -8.019 0.000 -0.000) 8.019 2.767 ( -8.019 0.000 0.000) 8.019 3.107 ( 3.401 0.000 -0.000) 3.401 3.107 ( 3.401 0.000 0.000) 3.401 3.164 ( -1.427 0.000 -0.000) 1.427 3.164 ( -1.427 0.000 0.000) 1.427 3.503 ( 7.293 0.000 -0.000) 7.293 3.503 ( 7.293 0.000 0.000) 7.293 3.590 ( 0.853 0.000 -0.000) 0.853 3.590 ( 0.853 0.000 0.000) 0.853 3.682 ( -0.421 0.000 -0.000) 0.421 3.682 ( -0.421 0.000 0.000) 0.421 3.730 ( -3.147 0.000 -0.000) 3.147 3.730 ( -3.147 0.000 0.000) 3.147 4.402 ( 0.518 0.000 -0.000) 0.518 4.402 ( 0.518 0.000 0.000) 0.518 4.461 ( -4.518 0.000 -0.000) 4.518 4.461 ( -4.518 0.000 0.000) 4.518 4.836 ( 4.721 0.000 -0.000) 4.721 4.836 ( 4.721 0.000 0.000) 4.721 4.904 ( -2.023 0.000 -0.000) 2.023 4.904 ( -2.023 0.000 0.000) 2.023 5.181 ( 6.029 0.000 -0.000) 6.029 5.181 ( 6.029 0.000 0.000) 6.029 5.308 ( -6.668 0.000 -0.000) 6.668 5.308 ( -6.668 0.000 0.000) 6.668 5.838 ( 2.103 0.000 -0.000) 2.103 5.838 ( 2.103 0.000 0.000) 2.103 5.850 ( 0.623 0.000 -0.000) 0.623 5.850 ( 0.623 0.000 0.000) 0.623 6.467 ( 1.175 0.000 -0.000) 1.175 6.467 ( 1.175 0.000 0.000) 1.175 6.483 ( -0.101 0.000 -0.000) 0.101 6.483 ( -0.101 0.000 0.000) 0.101 7.191 ( 2.353 -0.000 -0.000) 2.353 7.191 ( 2.353 -0.000 0.000) 2.353 7.222 ( 0.121 0.000 -0.000) 0.121 7.222 ( 0.121 0.000 0.000) 0.121 8.002 ( 5.606 0.000 -0.000) 5.606 8.002 ( 5.606 0.000 0.000) 5.606 8.067 ( -0.340 0.000 -0.000) 0.340 8.067 ( -0.340 0.000 0.000) 0.340 8.390 ( 2.748 0.000 -0.000) 2.748 8.390 ( 2.748 0.000 0.000) 2.748 8.440 ( -1.707 0.000 -0.000) 1.707 8.440 ( -1.707 0.000 0.000) 1.707 9.013 ( -3.879 0.000 -0.000) 3.879 9.013 ( -3.879 0.000 0.000) 3.879 9.054 ( -8.002 -0.000 -0.000) 8.002 9.054 ( -8.002 -0.000 0.000) 8.002 9.773 ( 6.980 0.000 -0.000) 6.980 9.773 ( 6.980 0.000 0.000) 6.980 9.863 ( -1.605 0.000 -0.000) 1.605 9.863 ( -1.605 0.000 0.000) 1.605 10.439 ( 6.357 0.000 -0.000) 6.357 10.439 ( 6.357 0.000 0.000) 6.357 10.597 ( -8.934 0.000 -0.000) 8.934 10.597 ( -8.934 0.000 0.000) 8.934 10.934 ( 0.482 0.000 -0.000) 0.482 10.934 ( 0.482 0.000 0.000) 0.482 10.967 ( -2.873 0.000 -0.000) 2.873 10.967 ( -2.873 0.000 0.000) 2.873 11.985 ( 3.291 0.000 -0.000) 3.291 11.985 ( 3.291 0.000 0.000) 3.291 12.050 ( -2.994 0.000 -0.000) 2.994 12.050 ( -2.994 0.000 0.000) 2.994 12.563 ( 15.916 0.000 -0.000) 15.916 12.563 ( 15.916 0.000 0.000) 15.916 12.905 ( -17.439 0.000 -0.000) 17.439 12.905 ( -17.439 0.000 0.000) 17.439 15.155 ( 4.265 0.000 -0.000) 4.265 15.155 ( 4.265 0.000 0.000) 4.265 15.250 ( -4.829 0.000 -0.000) 4.829 15.250 ( -4.829 0.000 0.000) 4.829 16.153 ( 10.237 0.000 -0.000) 10.237 16.153 ( 10.237 0.000 0.000) 10.237 16.329 ( -6.946 0.000 -0.000) 6.946 16.329 ( -6.946 0.000 0.000) 6.946=================== 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 3/23520 10.0 579.182 623.012 535.275 0.000 0.000 0.000 3/23520 20.0 86.283 156.571 104.748 0.000 0.000 -0.000 3/23520 30.0 32.975 69.615 39.152 0.000 0.000 -0.000 3/23520 40.0 18.293 42.586 21.292 0.000 0.000 -0.000 3/23520 50.0 12.123 30.094 13.986 0.000 0.000 -0.000 3/23520 60.0 8.876 22.937 10.206 0.000 0.000 -0.000 3/23520 70.0 6.922 18.343 7.949 0.000 0.000 -0.000 3/23520 80.0 5.640 15.185 6.472 0.000 0.000 -0.000 3/23520 90.0 4.746 12.909 5.441 0.000 0.000 -0.000 3/23520 100.0 4.093 11.206 4.686 0.000 0.000 -0.000 3/23520 110.0 3.599 9.893 4.113 0.000 0.000 -0.000 3/23520 120.0 3.213 8.854 3.664 0.000 0.000 -0.000 3/23520 130.0 2.904 8.015 3.305 0.000 0.000 -0.000 3/23520 140.0 2.651 7.324 3.010 0.000 0.000 -0.000 3/23520 150.0 2.441 6.746 2.765 0.000 0.000 -0.000 3/23520 160.0 2.263 6.256 2.557 0.000 0.000 -0.000 3/23520 170.0 2.110 5.835 2.380 0.000 0.000 -0.000 3/23520 180.0 1.978 5.469 2.226 0.000 0.000 -0.000 3/23520 190.0 1.862 5.148 2.091 0.000 0.000 -0.000 3/23520 200.0 1.759 4.864 1.972 0.000 0.000 -0.000 3/23520 210.0 1.668 4.611 1.867 0.000 0.000 -0.000 3/23520 220.0 1.586 4.384 1.772 0.000 0.000 -0.000 3/23520 230.0 1.512 4.179 1.687 0.000 0.000 -0.000 3/23520 240.0 1.445 3.994 1.610 0.000 0.000 -0.000 3/23520 250.0 1.384 3.824 1.540 0.000 0.000 -0.000 3/23520 260.0 1.328 3.669 1.476 0.000 0.000 -0.000 3/23520 270.0 1.276 3.527 1.417 0.000 0.000 -0.000 3/23520 280.0 1.229 3.395 1.363 0.000 0.000 -0.000 3/23520 290.0 1.185 3.273 1.313 0.000 0.000 -0.000 3/23520 300.0 1.144 3.160 1.266 0.000 0.000 -0.000 3/23520 310.0 1.105 3.055 1.223 0.000 0.000 -0.000 3/23520 320.0 1.070 2.956 1.183 0.000 0.000 -0.000 3/23520 330.0 1.036 2.864 1.145 0.000 0.000 -0.000 3/23520 340.0 1.005 2.777 1.110 0.000 0.000 -0.000 3/23520 350.0 0.976 2.696 1.077 0.000 0.000 -0.000 3/23520 360.0 0.948 2.619 1.045 0.000 0.000 -0.000 3/23520 370.0 0.922 2.547 1.016 0.000 0.000 -0.000 3/23520 380.0 0.897 2.479 0.988 0.000 0.000 -0.000 3/23520 390.0 0.874 2.414 0.962 0.000 0.000 -0.000 3/23520 400.0 0.851 2.353 0.937 0.000 0.000 -0.000 3/23520 410.0 0.830 2.294 0.913 0.000 0.000 -0.000 3/23520 420.0 0.810 2.239 0.891 0.000 0.000 -0.000 3/23520 430.0 0.791 2.186 0.870 0.000 0.000 -0.000 3/23520 440.0 0.773 2.136 0.849 0.000 0.000 -0.000 3/23520 450.0 0.756 2.088 0.830 0.000 0.000 -0.000 3/23520 460.0 0.739 2.042 0.811 0.000 0.000 -0.000 3/23520 470.0 0.723 1.998 0.794 0.000 0.000 -0.000 3/23520 480.0 0.708 1.956 0.777 0.000 0.000 -0.000 3/23520 490.0 0.693 1.916 0.761 0.000 0.000 -0.000 3/23520 500.0 0.679 1.877 0.745 0.000 0.000 -0.000 3/23520 510.0 0.666 1.840 0.730 0.000 0.000 -0.000 3/23520 520.0 0.653 1.804 0.716 0.000 0.000 -0.000 3/23520 530.0 0.640 1.770 0.702 0.000 0.000 -0.000 3/23520 540.0 0.629 1.737 0.689 0.000 0.000 -0.000 3/23520 550.0 0.617 1.705 0.676 0.000 0.000 -0.000 3/23520 560.0 0.606 1.674 0.664 0.000 0.000 -0.000 3/23520 570.0 0.595 1.645 0.652 0.000 0.000 -0.000 3/23520 580.0 0.585 1.616 0.641 0.000 0.000 -0.000 3/23520 590.0 0.575 1.589 0.630 0.000 0.000 -0.000 3/23520 600.0 0.565 1.562 0.619 0.000 0.000 -0.000 3/23520 610.0 0.556 1.536 0.609 0.000 0.000 -0.000 3/23520 620.0 0.547 1.512 0.599 0.000 0.000 -0.000 3/23520 630.0 0.538 1.487 0.589 0.000 0.000 -0.000 3/23520 640.0 0.530 1.464 0.580 0.000 0.000 -0.000 3/23520 650.0 0.522 1.442 0.571 0.000 0.000 -0.000 3/23520 660.0 0.514 1.420 0.562 0.000 0.000 -0.000 3/23520 670.0 0.506 1.398 0.553 0.000 0.000 -0.000 3/23520 680.0 0.498 1.378 0.545 0.000 0.000 -0.000 3/23520 690.0 0.491 1.358 0.537 0.000 0.000 -0.000 3/23520 700.0 0.484 1.338 0.529 0.000 0.000 -0.000 3/23520 710.0 0.477 1.319 0.522 0.000 0.000 -0.000 3/23520 720.0 0.471 1.301 0.515 0.000 0.000 -0.000 3/23520 730.0 0.464 1.283 0.507 0.000 0.000 -0.000 3/23520 740.0 0.458 1.266 0.501 0.000 0.000 -0.000 3/23520 750.0 0.452 1.249 0.494 0.000 0.000 -0.000 3/23520 760.0 0.446 1.232 0.487 0.000 0.000 -0.000 3/23520 770.0 0.440 1.216 0.481 0.000 0.000 -0.000 3/23520 780.0 0.434 1.201 0.475 0.000 0.000 -0.000 3/23520 790.0 0.429 1.185 0.469 0.000 0.000 -0.000 3/23520 800.0 0.423 1.171 0.463 0.000 0.000 -0.000 3/23520 810.0 0.418 1.156 0.457 0.000 0.000 -0.000 3/23520 820.0 0.413 1.142 0.451 0.000 0.000 -0.000 3/23520 830.0 0.408 1.128 0.446 0.000 0.000 -0.000 3/23520 840.0 0.403 1.115 0.440 0.000 0.000 -0.000 3/23520 850.0 0.398 1.102 0.435 0.000 0.000 -0.000 3/23520 860.0 0.394 1.089 0.430 0.000 0.000 -0.000 3/23520 870.0 0.389 1.076 0.425 0.000 0.000 -0.000 3/23520 880.0 0.385 1.064 0.420 0.000 0.000 -0.000 3/23520 890.0 0.381 1.052 0.416 0.000 0.000 -0.000 3/23520 900.0 0.376 1.040 0.411 0.000 0.000 -0.000 3/23520 910.0 0.372 1.029 0.406 0.000 0.000 -0.000 3/23520 920.0 0.368 1.018 0.402 0.000 0.000 -0.000 3/23520 930.0 0.364 1.007 0.398 0.000 0.000 -0.000 3/23520 940.0 0.360 0.996 0.393 0.000 0.000 -0.000 3/23520 950.0 0.356 0.985 0.389 0.000 0.000 -0.000 3/23520 960.0 0.353 0.975 0.385 0.000 0.000 -0.000 3/23520 970.0 0.349 0.965 0.381 0.000 0.000 -0.000 3/23520 980.0 0.346 0.955 0.377 0.000 0.000 -0.000 3/23520 990.0 0.342 0.946 0.373 0.000 0.000 -0.000 3/23520 1000.0 0.339 0.936 0.370 0.000 0.000 -0.000 3/23520Thermal conductivity related properties were written into "kappa-m5144.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:47:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|