----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:30:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31c (159) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.945385280000000 Atomic positions (fractional): *1 Ge 0.91458143390150 0.16791952723084 0.02387312274187 72.640 *2 Ge 0.91722909861223 0.48929737180472 0.72700132886664 72.640 3 Ge 0.08541856609850 0.25333809332934 0.52387312274187 72.640 4 Ge 0.57206827319250 0.08277090138778 0.72700132886664 72.640 5 Ge 0.48929737180472 0.91722909861223 0.22700132886664 72.640 6 Ge 0.74666190667066 0.83208047276916 0.52387312274187 72.640 7 Ge 0.83208047276916 0.74666190667066 0.02387312274187 72.640 8 Ge 0.42793172680750 0.51070262819528 0.22700132886664 72.640 9 Ge 0.51070262819528 0.42793172680750 0.72700132886664 72.640 10 Ge 0.16791952723084 0.91458143390150 0.52387312274187 72.640 11 Ge 0.08277090138778 0.57206827319250 0.22700132886664 72.640 12 Ge 0.25333809332934 0.08541856609850 0.02387312274187 72.640 *13 N 0.68336781466391 0.67925873273729 0.76992101385308 14.007 14 N 0.32074126726271 0.00410908192662 0.76992101385308 14.007 *15 N 0.95571366802621 0.61252671040842 0.99915906288700 14.007 16 N 0.65681304238221 0.04428633197379 0.99915906288700 14.007 17 N 0.00410908192662 0.32074126726271 0.26992101385308 14.007 18 N 0.61252671040842 0.95571366802621 0.49915906288700 14.007 19 N 0.67925873273729 0.68336781466391 0.26992101385308 14.007 *20 N 0.00000000000000 0.00000000000000 0.02519971257489 14.007 21 N 0.38747328959158 0.34318695761779 0.99915906288700 14.007 22 N 0.99589091807338 0.31663218533609 0.76992101385308 14.007 23 N 0.31663218533609 0.99589091807338 0.26992101385308 14.007 24 N 0.04428633197379 0.65681304238221 0.49915906288700 14.007 25 N 0.00000000000000 0.00000000000000 0.52519971257489 14.007 *26 N 0.33333333333333 0.66666666666667 0.16493671237933 14.007 27 N 0.34318695761779 0.38747328959158 0.49915906288700 14.007 28 N 0.66666666666667 0.33333333333333 0.66493671237933 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.945385280000000 Atomic positions (fractional): *1 Ge 0.91458143390150 0.16791952723084 0.02387312274187 72.640 > 1 *2 Ge 0.91722909861223 0.48929737180472 0.72700132886664 72.640 > 2 3 Ge 0.08541856609850 0.25333809332934 0.52387312274187 72.640 > 3 4 Ge 0.57206827319250 0.08277090138778 0.72700132886664 72.640 > 4 5 Ge 0.48929737180472 0.91722909861223 0.22700132886664 72.640 > 5 6 Ge 0.74666190667066 0.83208047276916 0.52387312274187 72.640 > 6 7 Ge 0.83208047276916 0.74666190667066 0.02387312274187 72.640 > 7 8 Ge 0.42793172680750 0.51070262819528 0.22700132886664 72.640 > 8 9 Ge 0.51070262819528 0.42793172680750 0.72700132886664 72.640 > 9 10 Ge 0.16791952723084 0.91458143390150 0.52387312274187 72.640 > 10 11 Ge 0.08277090138778 0.57206827319250 0.22700132886664 72.640 > 11 12 Ge 0.25333809332934 0.08541856609850 0.02387312274187 72.640 > 12 *13 N 0.68336781466391 0.67925873273729 0.76992101385308 14.007 > 13 14 N 0.32074126726271 0.00410908192662 0.76992101385308 14.007 > 14 *15 N 0.95571366802621 0.61252671040842 0.99915906288700 14.007 > 15 16 N 0.65681304238221 0.04428633197379 0.99915906288700 14.007 > 16 17 N 0.00410908192662 0.32074126726271 0.26992101385308 14.007 > 17 18 N 0.61252671040842 0.95571366802621 0.49915906288700 14.007 > 18 19 N 0.67925873273729 0.68336781466391 0.26992101385308 14.007 > 19 *20 N 0.00000000000000 0.00000000000000 0.02519971257489 14.007 > 20 21 N 0.38747328959158 0.34318695761779 0.99915906288700 14.007 > 21 22 N 0.99589091807338 0.31663218533609 0.76992101385308 14.007 > 22 23 N 0.31663218533609 0.99589091807338 0.26992101385308 14.007 > 23 24 N 0.04428633197379 0.65681304238221 0.49915906288700 14.007 > 24 25 N 0.00000000000000 0.00000000000000 0.52519971257489 14.007 > 25 *26 N 0.33333333333333 0.66666666666667 0.16493671237933 14.007 > 26 27 N 0.34318695761779 0.38747328959158 0.49915906288700 14.007 > 27 28 N 0.66666666666667 0.33333333333333 0.66493671237933 14.007 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 11.890770560000000 Atomic positions (fractional): *1 Ge 0.91458143390150 0.16791952723084 0.01193656137093 72.640 > 1 2 Ge 0.91458143390150 0.16791952723084 0.51193656137093 72.640 > 1 *3 Ge 0.91722909861223 0.48929737180472 0.36350066443332 72.640 > 2 4 Ge 0.91722909861223 0.48929737180472 0.86350066443332 72.640 > 2 5 Ge 0.08541856609850 0.25333809332934 0.26193656137093 72.640 > 3 6 Ge 0.08541856609850 0.25333809332934 0.76193656137093 72.640 > 3 7 Ge 0.57206827319250 0.08277090138778 0.36350066443332 72.640 > 4 8 Ge 0.57206827319250 0.08277090138778 0.86350066443332 72.640 > 4 9 Ge 0.48929737180472 0.91722909861223 0.11350066443332 72.640 > 5 10 Ge 0.48929737180472 0.91722909861223 0.61350066443332 72.640 > 5 11 Ge 0.74666190667066 0.83208047276916 0.26193656137093 72.640 > 6 12 Ge 0.74666190667066 0.83208047276916 0.76193656137093 72.640 > 6 13 Ge 0.83208047276916 0.74666190667066 0.01193656137093 72.640 > 7 14 Ge 0.83208047276916 0.74666190667066 0.51193656137093 72.640 > 7 15 Ge 0.42793172680750 0.51070262819528 0.11350066443332 72.640 > 8 16 Ge 0.42793172680750 0.51070262819528 0.61350066443332 72.640 > 8 17 Ge 0.51070262819528 0.42793172680750 0.36350066443332 72.640 > 9 18 Ge 0.51070262819528 0.42793172680750 0.86350066443332 72.640 > 9 19 Ge 0.16791952723084 0.91458143390150 0.26193656137093 72.640 > 10 20 Ge 0.16791952723084 0.91458143390150 0.76193656137093 72.640 > 10 21 Ge 0.08277090138778 0.57206827319250 0.11350066443332 72.640 > 11 22 Ge 0.08277090138778 0.57206827319250 0.61350066443332 72.640 > 11 23 Ge 0.25333809332934 0.08541856609850 0.01193656137093 72.640 > 12 24 Ge 0.25333809332934 0.08541856609850 0.51193656137093 72.640 > 12 *25 N 0.68336781466391 0.67925873273729 0.38496050692654 14.007 > 13 26 N 0.68336781466391 0.67925873273729 0.88496050692654 14.007 > 13 27 N 0.32074126726271 0.00410908192662 0.38496050692654 14.007 > 14 28 N 0.32074126726271 0.00410908192662 0.88496050692654 14.007 > 14 *29 N 0.95571366802621 0.61252671040842 0.49957953144350 14.007 > 15 30 N 0.95571366802621 0.61252671040842 0.99957953144350 14.007 > 15 31 N 0.65681304238221 0.04428633197379 0.49957953144350 14.007 > 16 32 N 0.65681304238221 0.04428633197379 0.99957953144350 14.007 > 16 33 N 0.00410908192662 0.32074126726271 0.13496050692654 14.007 > 17 34 N 0.00410908192662 0.32074126726271 0.63496050692654 14.007 > 17 35 N 0.61252671040842 0.95571366802621 0.24957953144350 14.007 > 18 36 N 0.61252671040842 0.95571366802621 0.74957953144350 14.007 > 18 37 N 0.67925873273729 0.68336781466391 0.13496050692654 14.007 > 19 38 N 0.67925873273729 0.68336781466391 0.63496050692654 14.007 > 19 *39 N 0.00000000000000 0.00000000000000 0.01259985628744 14.007 > 20 40 N 0.00000000000000 0.00000000000000 0.51259985628744 14.007 > 20 41 N 0.38747328959158 0.34318695761779 0.49957953144350 14.007 > 21 42 N 0.38747328959158 0.34318695761779 0.99957953144350 14.007 > 21 43 N 0.99589091807338 0.31663218533609 0.38496050692654 14.007 > 22 44 N 0.99589091807338 0.31663218533609 0.88496050692654 14.007 > 22 45 N 0.31663218533609 0.99589091807338 0.13496050692654 14.007 > 23 46 N 0.31663218533609 0.99589091807338 0.63496050692654 14.007 > 23 47 N 0.04428633197379 0.65681304238221 0.24957953144350 14.007 > 24 48 N 0.04428633197379 0.65681304238221 0.74957953144350 14.007 > 24 49 N 0.00000000000000 0.00000000000000 0.26259985628744 14.007 > 25 50 N 0.00000000000000 0.00000000000000 0.76259985628744 14.007 > 25 *51 N 0.33333333333333 0.66666666666667 0.08246835618966 14.007 > 26 52 N 0.33333333333333 0.66666666666667 0.58246835618966 14.007 > 26 53 N 0.34318695761779 0.38747328959158 0.24957953144350 14.007 > 27 54 N 0.34318695761779 0.38747328959158 0.74957953144350 14.007 > 27 55 N 0.66666666666667 0.33333333333333 0.33246835618966 14.007 > 28 56 N 0.66666666666667 0.33333333333333 0.83246835618966 14.007 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1511499 0.0000000 0.0000000 0.0000000 5.1511499 0.0000000 0.0000000 0.0000000 5.2109249 -------------------------- Born effective charges -------------------------- 1 Ge 3.3944301 0.0822183 0.5593739 0.0393467 3.3447351 0.3461814 0.1491884 0.1133765 3.4206557 2 Ge 3.0999142 0.1155853 -0.0649682 -0.1152856 3.6747554 -0.0794862 -0.3081692 -0.2039414 3.2932633 3 Ge 3.4097981 0.0304740 -0.5794888 0.0733456 3.3293671 -0.3113413 -0.1727811 -0.0725127 3.4206557 4 Ge 3.5309153 -0.1335530 -0.0363529 -0.3644239 3.2437543 0.0960072 -0.0225338 0.3688530 3.2932633 5 Ge 3.5309153 0.1335530 -0.0363529 0.3644239 3.2437543 -0.0960072 -0.0225338 -0.3688530 3.2932633 6 Ge 3.3944301 -0.0822183 0.5593739 -0.0393467 3.3447351 -0.3461814 0.1491884 -0.1133765 3.4206557 7 Ge 3.4097981 -0.0304740 -0.5794888 -0.0733456 3.3293671 0.3113413 -0.1727811 0.0725127 3.4206557 8 Ge 3.0999142 -0.1155853 -0.0649682 0.1152856 3.6747554 0.0794862 -0.3081692 0.2039414 3.2932633 9 Ge 3.5311749 0.3642741 0.1013211 0.1334031 3.2434947 -0.0165210 0.3307030 -0.1649116 3.2932633 10 Ge 3.3045197 -0.0125631 0.0201149 0.0303085 3.4346455 0.6575227 0.0235927 0.1858892 3.4206557 11 Ge 3.5311749 -0.3642741 0.1013211 -0.1334031 3.2434947 0.0165210 0.3307030 0.1649116 3.2932633 12 Ge 3.3045197 0.0125631 0.0201149 -0.0303085 3.4346455 -0.6575227 0.0235927 -0.1858892 3.4206557 13 N -1.9055642 -0.1715039 -0.5275254 -0.2525656 -2.8785221 0.1685128 -0.4941964 0.2216403 -2.9385003 14 N -2.8189101 -0.2747549 0.1178263 -0.3558166 -1.9651762 -0.5411068 0.0551521 -0.5388068 -2.9385003 15 N -2.6775946 0.6220752 -0.4183275 0.6339743 -2.1252408 -0.4558485 -0.4455863 -0.3369267 -2.7713979 16 N -2.8072146 -0.5591381 -0.1856126 -0.5472390 -1.9956208 0.5902065 -0.0689939 0.5543524 -2.7713979 17 N -1.9055642 0.1715039 -0.5275254 0.2525656 -2.8785221 -0.1685128 -0.4941964 -0.2216403 -2.9385003 18 N -2.8072146 0.5591381 -0.1856126 0.5472390 -1.9956208 -0.5902065 -0.0689939 -0.5543524 -2.7713979 19 N -2.4516551 -0.5678513 0.4096991 -0.4867896 -2.3324312 -0.3725940 0.4390444 -0.3171665 -2.9385003 20 N -2.9890302 -0.0861368 0.0000000 0.0861368 -2.9890302 -0.0000000 -0.0000000 0.0000000 -1.5914032 21 N -1.7194439 -0.0807857 0.6039401 -0.0688866 -3.0833915 -0.1343580 0.5145802 -0.2174257 -2.7713979 22 N -2.4516551 0.5678513 0.4096991 0.4867896 -2.3324312 0.3725940 0.4390444 0.3171665 -2.9385003 23 N -2.8189101 0.2747549 0.1178263 0.3558166 -1.9651762 0.5411068 0.0551521 0.5388068 -2.9385003 24 N -1.7194439 0.0807857 0.6039401 0.0688866 -3.0833915 0.1343580 0.5145802 0.2174257 -2.7713979 25 N -2.9890302 0.0861368 0.0000000 -0.0861368 -2.9890302 -0.0000000 -0.0000000 0.0000000 -1.5914032 26 N -2.9013393 0.0818859 0.0000000 -0.0818859 -2.9013393 -0.0000000 -0.0000000 0.0000000 -1.4206592 27 N -2.6775946 -0.6220752 -0.4183275 -0.6339743 -2.1252408 0.4558485 -0.4455863 0.3369267 -2.7713979 28 N -2.9013393 -0.0818859 0.0000000 0.0818859 -2.9013393 -0.0000000 -0.0000000 0.0000000 -1.4206592 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 7140/7140 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1190 Number of blocks in projector: 556 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 536 Use submatrix version of eigh solver. (1) Block: 536 / 536 (2) Block: 250 / 536 (2) 230 eigenvectors found. (2) Block: 536 / 536 (2) 270 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 250 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1190, 1148), data: False |-- (142, 136), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 12), data: (512, 28) @ (28, 12) |-- (262, 250), data: True |-- (250, 234), data: True |-- (536, 516), data: False |-- (536, 516), data: False |-- (536, 16), data: (536, 36) @ (36, 16) |-- (286, 270), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 560 - Time: 0.710 Solver_block: 200 / 560 - Time: 0.703 Solver_block: 300 / 560 - Time: 0.703 Solver_block: 400 / 560 - Time: 0.703 Solver_block: 500 / 560 - Time: 0.702 Solver_block: 560 / 560 - Time: 0.448 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.994 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 168/168 Permutation basis: 7140/7140 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1190 Number of blocks in projector: 556 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 536 Use submatrix version of eigh solver. (1) Block: 536 / 536 (2) Block: 250 / 536 (2) 230 eigenvectors found. (2) Block: 536 / 536 (2) 270 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 250 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1190, 1148), data: False |-- (142, 136), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 12), data: (512, 28) @ (28, 12) |-- (262, 250), data: True |-- (250, 234), data: True |-- (536, 516), data: False |-- (536, 516), data: False |-- (536, 16), data: (536, 36) @ (36, 16) |-- (286, 270), data: True |-- (250, 230), data: True Max 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 21:30:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:30:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31c (159) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.945385280000000 Atomic positions (fractional): 1 Ge 0.91458143390150 0.16791952723084 0.02387312274187 72.640 2 Ge 0.91722909861223 0.48929737180472 0.72700132886664 72.640 3 Ge 0.08541856609850 0.25333809332934 0.52387312274187 72.640 4 Ge 0.57206827319250 0.08277090138778 0.72700132886664 72.640 5 Ge 0.48929737180472 0.91722909861223 0.22700132886664 72.640 6 Ge 0.74666190667066 0.83208047276916 0.52387312274187 72.640 7 Ge 0.83208047276916 0.74666190667066 0.02387312274187 72.640 8 Ge 0.42793172680750 0.51070262819528 0.22700132886664 72.640 9 Ge 0.51070262819528 0.42793172680750 0.72700132886664 72.640 10 Ge 0.16791952723084 0.91458143390150 0.52387312274187 72.640 11 Ge 0.08277090138778 0.57206827319250 0.22700132886664 72.640 12 Ge 0.25333809332934 0.08541856609850 0.02387312274187 72.640 13 N 0.68336781466391 0.67925873273729 0.76992101385308 14.007 14 N 0.32074126726271 0.00410908192662 0.76992101385308 14.007 15 N 0.95571366802621 0.61252671040842 0.99915906288700 14.007 16 N 0.65681304238221 0.04428633197379 0.99915906288700 14.007 17 N 0.00410908192662 0.32074126726271 0.26992101385308 14.007 18 N 0.61252671040842 0.95571366802621 0.49915906288700 14.007 19 N 0.67925873273729 0.68336781466391 0.26992101385308 14.007 20 N 0.00000000000000 0.00000000000000 0.02519971257489 14.007 21 N 0.38747328959158 0.34318695761779 0.99915906288700 14.007 22 N 0.99589091807338 0.31663218533609 0.76992101385308 14.007 23 N 0.31663218533609 0.99589091807338 0.26992101385308 14.007 24 N 0.04428633197379 0.65681304238221 0.49915906288700 14.007 25 N 0.00000000000000 0.00000000000000 0.52519971257489 14.007 26 N 0.33333333333333 0.66666666666667 0.16493671237933 14.007 27 N 0.34318695761779 0.38747328959158 0.49915906288700 14.007 28 N 0.66666666666667 0.33333333333333 0.66493671237933 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 11.890770560000000 Atomic positions (fractional): 1 Ge 0.91458143390150 0.16791952723084 0.01193656137093 72.640 > 1 2 Ge 0.91458143390150 0.16791952723084 0.51193656137093 72.640 > 1 3 Ge 0.91722909861223 0.48929737180472 0.36350066443332 72.640 > 3 4 Ge 0.91722909861223 0.48929737180472 0.86350066443332 72.640 > 3 5 Ge 0.08541856609850 0.25333809332934 0.26193656137093 72.640 > 5 6 Ge 0.08541856609850 0.25333809332934 0.76193656137093 72.640 > 5 7 Ge 0.57206827319250 0.08277090138778 0.36350066443332 72.640 > 7 8 Ge 0.57206827319250 0.08277090138778 0.86350066443332 72.640 > 7 9 Ge 0.48929737180472 0.91722909861223 0.11350066443332 72.640 > 9 10 Ge 0.48929737180472 0.91722909861223 0.61350066443332 72.640 > 9 11 Ge 0.74666190667066 0.83208047276916 0.26193656137093 72.640 > 11 12 Ge 0.74666190667066 0.83208047276916 0.76193656137093 72.640 > 11 13 Ge 0.83208047276916 0.74666190667066 0.01193656137093 72.640 > 13 14 Ge 0.83208047276916 0.74666190667066 0.51193656137093 72.640 > 13 15 Ge 0.42793172680750 0.51070262819528 0.11350066443332 72.640 > 15 16 Ge 0.42793172680750 0.51070262819528 0.61350066443332 72.640 > 15 17 Ge 0.51070262819528 0.42793172680750 0.36350066443332 72.640 > 17 18 Ge 0.51070262819528 0.42793172680750 0.86350066443332 72.640 > 17 19 Ge 0.16791952723084 0.91458143390150 0.26193656137093 72.640 > 19 20 Ge 0.16791952723084 0.91458143390150 0.76193656137093 72.640 > 19 21 Ge 0.08277090138778 0.57206827319250 0.11350066443332 72.640 > 21 22 Ge 0.08277090138778 0.57206827319250 0.61350066443332 72.640 > 21 23 Ge 0.25333809332934 0.08541856609850 0.01193656137093 72.640 > 23 24 Ge 0.25333809332934 0.08541856609850 0.51193656137093 72.640 > 23 25 N 0.68336781466391 0.67925873273729 0.38496050692654 14.007 > 25 26 N 0.68336781466391 0.67925873273729 0.88496050692654 14.007 > 25 27 N 0.32074126726271 0.00410908192662 0.38496050692654 14.007 > 27 28 N 0.32074126726271 0.00410908192662 0.88496050692654 14.007 > 27 29 N 0.95571366802621 0.61252671040842 0.49957953144350 14.007 > 29 30 N 0.95571366802621 0.61252671040842 0.99957953144350 14.007 > 29 31 N 0.65681304238221 0.04428633197379 0.49957953144350 14.007 > 31 32 N 0.65681304238221 0.04428633197379 0.99957953144350 14.007 > 31 33 N 0.00410908192662 0.32074126726271 0.13496050692654 14.007 > 33 34 N 0.00410908192662 0.32074126726271 0.63496050692654 14.007 > 33 35 N 0.61252671040842 0.95571366802621 0.24957953144350 14.007 > 35 36 N 0.61252671040842 0.95571366802621 0.74957953144350 14.007 > 35 37 N 0.67925873273729 0.68336781466391 0.13496050692654 14.007 > 37 38 N 0.67925873273729 0.68336781466391 0.63496050692654 14.007 > 37 39 N 0.00000000000000 0.00000000000000 0.01259985628744 14.007 > 39 40 N 0.00000000000000 0.00000000000000 0.51259985628744 14.007 > 39 41 N 0.38747328959158 0.34318695761779 0.49957953144350 14.007 > 41 42 N 0.38747328959158 0.34318695761779 0.99957953144350 14.007 > 41 43 N 0.99589091807338 0.31663218533609 0.38496050692654 14.007 > 43 44 N 0.99589091807338 0.31663218533609 0.88496050692654 14.007 > 43 45 N 0.31663218533609 0.99589091807338 0.13496050692654 14.007 > 45 46 N 0.31663218533609 0.99589091807338 0.63496050692654 14.007 > 45 47 N 0.04428633197379 0.65681304238221 0.24957953144350 14.007 > 47 48 N 0.04428633197379 0.65681304238221 0.74957953144350 14.007 > 47 49 N 0.00000000000000 0.00000000000000 0.26259985628744 14.007 > 49 50 N 0.00000000000000 0.00000000000000 0.76259985628744 14.007 > 49 51 N 0.33333333333333 0.66666666666667 0.08246835618966 14.007 > 51 52 N 0.33333333333333 0.66666666666667 0.58246835618966 14.007 > 51 53 N 0.34318695761779 0.38747328959158 0.24957953144350 14.007 > 53 54 N 0.34318695761779 0.38747328959158 0.74957953144350 14.007 > 53 55 N 0.66666666666667 0.33333333333333 0.33246835618966 14.007 > 55 56 N 0.66666666666667 0.33333333333333 0.83246835618966 14.007 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1511499 0.0000000 0.0000000 0.0000000 5.1511499 0.0000000 0.0000000 0.0000000 5.2109249 -------------------------- Born effective charges -------------------------- 1 Ge 3.3944301 0.0822183 0.5593739 0.0393467 3.3447351 0.3461814 0.1491884 0.1133765 3.4206557 2 Ge 3.0999142 0.1155853 -0.0649682 -0.1152856 3.6747554 -0.0794862 -0.3081692 -0.2039414 3.2932633 3 Ge 3.4097981 0.0304740 -0.5794888 0.0733456 3.3293671 -0.3113413 -0.1727811 -0.0725127 3.4206557 4 Ge 3.5309153 -0.1335530 -0.0363529 -0.3644239 3.2437543 0.0960072 -0.0225338 0.3688530 3.2932633 5 Ge 3.5309153 0.1335530 -0.0363529 0.3644239 3.2437543 -0.0960072 -0.0225338 -0.3688530 3.2932633 6 Ge 3.3944301 -0.0822183 0.5593739 -0.0393467 3.3447351 -0.3461814 0.1491884 -0.1133765 3.4206557 7 Ge 3.4097981 -0.0304740 -0.5794888 -0.0733456 3.3293671 0.3113413 -0.1727811 0.0725127 3.4206557 8 Ge 3.0999142 -0.1155853 -0.0649682 0.1152856 3.6747554 0.0794862 -0.3081692 0.2039414 3.2932633 9 Ge 3.5311749 0.3642741 0.1013211 0.1334031 3.2434947 -0.0165210 0.3307030 -0.1649116 3.2932633 10 Ge 3.3045197 -0.0125631 0.0201149 0.0303085 3.4346455 0.6575227 0.0235927 0.1858892 3.4206557 11 Ge 3.5311749 -0.3642741 0.1013211 -0.1334031 3.2434947 0.0165210 0.3307030 0.1649116 3.2932633 12 Ge 3.3045197 0.0125631 0.0201149 -0.0303085 3.4346455 -0.6575227 0.0235927 -0.1858892 3.4206557 13 N -1.9055642 -0.1715039 -0.5275254 -0.2525656 -2.8785221 0.1685128 -0.4941964 0.2216403 -2.9385003 14 N -2.8189101 -0.2747549 0.1178263 -0.3558166 -1.9651762 -0.5411068 0.0551521 -0.5388068 -2.9385003 15 N -2.6775946 0.6220752 -0.4183275 0.6339743 -2.1252408 -0.4558485 -0.4455863 -0.3369267 -2.7713979 16 N -2.8072146 -0.5591381 -0.1856126 -0.5472390 -1.9956208 0.5902065 -0.0689939 0.5543524 -2.7713979 17 N -1.9055642 0.1715039 -0.5275254 0.2525656 -2.8785221 -0.1685128 -0.4941964 -0.2216403 -2.9385003 18 N -2.8072146 0.5591381 -0.1856126 0.5472390 -1.9956208 -0.5902065 -0.0689939 -0.5543524 -2.7713979 19 N -2.4516551 -0.5678513 0.4096991 -0.4867896 -2.3324312 -0.3725940 0.4390444 -0.3171665 -2.9385003 20 N -2.9890302 -0.0861368 0.0000000 0.0861368 -2.9890302 -0.0000000 -0.0000000 0.0000000 -1.5914032 21 N -1.7194439 -0.0807857 0.6039401 -0.0688866 -3.0833915 -0.1343580 0.5145802 -0.2174257 -2.7713979 22 N -2.4516551 0.5678513 0.4096991 0.4867896 -2.3324312 0.3725940 0.4390444 0.3171665 -2.9385003 23 N -2.8189101 0.2747549 0.1178263 0.3558166 -1.9651762 0.5411068 0.0551521 0.5388068 -2.9385003 24 N -1.7194439 0.0807857 0.6039401 0.0688866 -3.0833915 0.1343580 0.5145802 0.2174257 -2.7713979 25 N -2.9890302 0.0861368 0.0000000 -0.0861368 -2.9890302 -0.0000000 -0.0000000 0.0000000 -1.5914032 26 N -2.9013393 0.0818859 0.0000000 -0.0818859 -2.9013393 -0.0000000 -0.0000000 0.0000000 -1.4206592 27 N -2.6775946 -0.6220752 -0.4183275 -0.6339743 -2.1252408 0.4558485 -0.4455863 0.3369267 -2.7713979 28 N -2.9013393 -0.0818859 0.0000000 0.0818859 -2.9013393 -0.0000000 -0.0000000 0.0000000 -1.4206592 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:30:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:30:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31c (159) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.945385280000000 Atomic positions (fractional): 1 Ge 0.91458143390150 0.16791952723084 0.02387312274187 72.640 2 Ge 0.91722909861223 0.48929737180472 0.72700132886664 72.640 3 Ge 0.08541856609850 0.25333809332934 0.52387312274187 72.640 4 Ge 0.57206827319250 0.08277090138778 0.72700132886664 72.640 5 Ge 0.48929737180472 0.91722909861223 0.22700132886664 72.640 6 Ge 0.74666190667066 0.83208047276916 0.52387312274187 72.640 7 Ge 0.83208047276916 0.74666190667066 0.02387312274187 72.640 8 Ge 0.42793172680750 0.51070262819528 0.22700132886664 72.640 9 Ge 0.51070262819528 0.42793172680750 0.72700132886664 72.640 10 Ge 0.16791952723084 0.91458143390150 0.52387312274187 72.640 11 Ge 0.08277090138778 0.57206827319250 0.22700132886664 72.640 12 Ge 0.25333809332934 0.08541856609850 0.02387312274187 72.640 13 N 0.68336781466391 0.67925873273729 0.76992101385308 14.007 14 N 0.32074126726271 0.00410908192662 0.76992101385308 14.007 15 N 0.95571366802621 0.61252671040842 0.99915906288700 14.007 16 N 0.65681304238221 0.04428633197379 0.99915906288700 14.007 17 N 0.00410908192662 0.32074126726271 0.26992101385308 14.007 18 N 0.61252671040842 0.95571366802621 0.49915906288700 14.007 19 N 0.67925873273729 0.68336781466391 0.26992101385308 14.007 20 N 0.00000000000000 0.00000000000000 0.02519971257489 14.007 21 N 0.38747328959158 0.34318695761779 0.99915906288700 14.007 22 N 0.99589091807338 0.31663218533609 0.76992101385308 14.007 23 N 0.31663218533609 0.99589091807338 0.26992101385308 14.007 24 N 0.04428633197379 0.65681304238221 0.49915906288700 14.007 25 N 0.00000000000000 0.00000000000000 0.52519971257489 14.007 26 N 0.33333333333333 0.66666666666667 0.16493671237933 14.007 27 N 0.34318695761779 0.38747328959158 0.49915906288700 14.007 28 N 0.66666666666667 0.33333333333333 0.66493671237933 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.221404858459842 0.000000000000000 0.000000000000000 b -4.110702429229921 7.119945462223029 0.000000000000000 c 0.000000000000000 0.000000000000000 11.890770560000000 Atomic positions (fractional): 1 Ge 0.91458143390150 0.16791952723084 0.01193656137093 72.640 > 1 2 Ge 0.91458143390150 0.16791952723084 0.51193656137093 72.640 > 1 3 Ge 0.91722909861223 0.48929737180472 0.36350066443332 72.640 > 3 4 Ge 0.91722909861223 0.48929737180472 0.86350066443332 72.640 > 3 5 Ge 0.08541856609850 0.25333809332934 0.26193656137093 72.640 > 5 6 Ge 0.08541856609850 0.25333809332934 0.76193656137093 72.640 > 5 7 Ge 0.57206827319250 0.08277090138778 0.36350066443332 72.640 > 7 8 Ge 0.57206827319250 0.08277090138778 0.86350066443332 72.640 > 7 9 Ge 0.48929737180472 0.91722909861223 0.11350066443332 72.640 > 9 10 Ge 0.48929737180472 0.91722909861223 0.61350066443332 72.640 > 9 11 Ge 0.74666190667066 0.83208047276916 0.26193656137093 72.640 > 11 12 Ge 0.74666190667066 0.83208047276916 0.76193656137093 72.640 > 11 13 Ge 0.83208047276916 0.74666190667066 0.01193656137093 72.640 > 13 14 Ge 0.83208047276916 0.74666190667066 0.51193656137093 72.640 > 13 15 Ge 0.42793172680750 0.51070262819528 0.11350066443332 72.640 > 15 16 Ge 0.42793172680750 0.51070262819528 0.61350066443332 72.640 > 15 17 Ge 0.51070262819528 0.42793172680750 0.36350066443332 72.640 > 17 18 Ge 0.51070262819528 0.42793172680750 0.86350066443332 72.640 > 17 19 Ge 0.16791952723084 0.91458143390150 0.26193656137093 72.640 > 19 20 Ge 0.16791952723084 0.91458143390150 0.76193656137093 72.640 > 19 21 Ge 0.08277090138778 0.57206827319250 0.11350066443332 72.640 > 21 22 Ge 0.08277090138778 0.57206827319250 0.61350066443332 72.640 > 21 23 Ge 0.25333809332934 0.08541856609850 0.01193656137093 72.640 > 23 24 Ge 0.25333809332934 0.08541856609850 0.51193656137093 72.640 > 23 25 N 0.68336781466391 0.67925873273729 0.38496050692654 14.007 > 25 26 N 0.68336781466391 0.67925873273729 0.88496050692654 14.007 > 25 27 N 0.32074126726271 0.00410908192662 0.38496050692654 14.007 > 27 28 N 0.32074126726271 0.00410908192662 0.88496050692654 14.007 > 27 29 N 0.95571366802621 0.61252671040842 0.49957953144350 14.007 > 29 30 N 0.95571366802621 0.61252671040842 0.99957953144350 14.007 > 29 31 N 0.65681304238221 0.04428633197379 0.49957953144350 14.007 > 31 32 N 0.65681304238221 0.04428633197379 0.99957953144350 14.007 > 31 33 N 0.00410908192662 0.32074126726271 0.13496050692654 14.007 > 33 34 N 0.00410908192662 0.32074126726271 0.63496050692654 14.007 > 33 35 N 0.61252671040842 0.95571366802621 0.24957953144350 14.007 > 35 36 N 0.61252671040842 0.95571366802621 0.74957953144350 14.007 > 35 37 N 0.67925873273729 0.68336781466391 0.13496050692654 14.007 > 37 38 N 0.67925873273729 0.68336781466391 0.63496050692654 14.007 > 37 39 N 0.00000000000000 0.00000000000000 0.01259985628744 14.007 > 39 40 N 0.00000000000000 0.00000000000000 0.51259985628744 14.007 > 39 41 N 0.38747328959158 0.34318695761779 0.49957953144350 14.007 > 41 42 N 0.38747328959158 0.34318695761779 0.99957953144350 14.007 > 41 43 N 0.99589091807338 0.31663218533609 0.38496050692654 14.007 > 43 44 N 0.99589091807338 0.31663218533609 0.88496050692654 14.007 > 43 45 N 0.31663218533609 0.99589091807338 0.13496050692654 14.007 > 45 46 N 0.31663218533609 0.99589091807338 0.63496050692654 14.007 > 45 47 N 0.04428633197379 0.65681304238221 0.24957953144350 14.007 > 47 48 N 0.04428633197379 0.65681304238221 0.74957953144350 14.007 > 47 49 N 0.00000000000000 0.00000000000000 0.26259985628744 14.007 > 49 50 N 0.00000000000000 0.00000000000000 0.76259985628744 14.007 > 49 51 N 0.33333333333333 0.66666666666667 0.08246835618966 14.007 > 51 52 N 0.33333333333333 0.66666666666667 0.58246835618966 14.007 > 51 53 N 0.34318695761779 0.38747328959158 0.24957953144350 14.007 > 53 54 N 0.34318695761779 0.38747328959158 0.74957953144350 14.007 > 53 55 N 0.66666666666667 0.33333333333333 0.33246835618966 14.007 > 55 56 N 0.66666666666667 0.33333333333333 0.83246835618966 14.007 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1511499 0.0000000 0.0000000 0.0000000 5.1511499 0.0000000 0.0000000 0.0000000 5.2109249 -------------------------- Born effective charges -------------------------- 1 Ge 3.3944301 0.0822183 0.5593739 0.0393467 3.3447351 0.3461814 0.1491884 0.1133765 3.4206557 2 Ge 3.0999142 0.1155853 -0.0649682 -0.1152856 3.6747554 -0.0794862 -0.3081692 -0.2039414 3.2932633 3 Ge 3.4097981 0.0304740 -0.5794888 0.0733456 3.3293671 -0.3113413 -0.1727811 -0.0725127 3.4206557 4 Ge 3.5309153 -0.1335530 -0.0363529 -0.3644239 3.2437543 0.0960072 -0.0225338 0.3688530 3.2932633 5 Ge 3.5309153 0.1335530 -0.0363529 0.3644239 3.2437543 -0.0960072 -0.0225338 -0.3688530 3.2932633 6 Ge 3.3944301 -0.0822183 0.5593739 -0.0393467 3.3447351 -0.3461814 0.1491884 -0.1133765 3.4206557 7 Ge 3.4097981 -0.0304740 -0.5794888 -0.0733456 3.3293671 0.3113413 -0.1727811 0.0725127 3.4206557 8 Ge 3.0999142 -0.1155853 -0.0649682 0.1152856 3.6747554 0.0794862 -0.3081692 0.2039414 3.2932633 9 Ge 3.5311749 0.3642741 0.1013211 0.1334031 3.2434947 -0.0165210 0.3307030 -0.1649116 3.2932633 10 Ge 3.3045197 -0.0125631 0.0201149 0.0303085 3.4346455 0.6575227 0.0235927 0.1858892 3.4206557 11 Ge 3.5311749 -0.3642741 0.1013211 -0.1334031 3.2434947 0.0165210 0.3307030 0.1649116 3.2932633 12 Ge 3.3045197 0.0125631 0.0201149 -0.0303085 3.4346455 -0.6575227 0.0235927 -0.1858892 3.4206557 13 N -1.9055642 -0.1715039 -0.5275254 -0.2525656 -2.8785221 0.1685128 -0.4941964 0.2216403 -2.9385003 14 N -2.8189101 -0.2747549 0.1178263 -0.3558166 -1.9651762 -0.5411068 0.0551521 -0.5388068 -2.9385003 15 N -2.6775946 0.6220752 -0.4183275 0.6339743 -2.1252408 -0.4558485 -0.4455863 -0.3369267 -2.7713979 16 N -2.8072146 -0.5591381 -0.1856126 -0.5472390 -1.9956208 0.5902065 -0.0689939 0.5543524 -2.7713979 17 N -1.9055642 0.1715039 -0.5275254 0.2525656 -2.8785221 -0.1685128 -0.4941964 -0.2216403 -2.9385003 18 N -2.8072146 0.5591381 -0.1856126 0.5472390 -1.9956208 -0.5902065 -0.0689939 -0.5543524 -2.7713979 19 N -2.4516551 -0.5678513 0.4096991 -0.4867896 -2.3324312 -0.3725940 0.4390444 -0.3171665 -2.9385003 20 N -2.9890302 -0.0861368 0.0000000 0.0861368 -2.9890302 -0.0000000 -0.0000000 0.0000000 -1.5914032 21 N -1.7194439 -0.0807857 0.6039401 -0.0688866 -3.0833915 -0.1343580 0.5145802 -0.2174257 -2.7713979 22 N -2.4516551 0.5678513 0.4096991 0.4867896 -2.3324312 0.3725940 0.4390444 0.3171665 -2.9385003 23 N -2.8189101 0.2747549 0.1178263 0.3558166 -1.9651762 0.5411068 0.0551521 0.5388068 -2.9385003 24 N -1.7194439 0.0807857 0.6039401 0.0688866 -3.0833915 0.1343580 0.5145802 0.2174257 -2.7713979 25 N -2.9890302 0.0861368 0.0000000 -0.0861368 -2.9890302 -0.0000000 -0.0000000 0.0000000 -1.5914032 26 N -2.9013393 0.0818859 0.0000000 -0.0818859 -2.9013393 -0.0000000 -0.0000000 0.0000000 -1.4206592 27 N -2.6775946 -0.6220752 -0.4183275 -0.6339743 -2.1252408 0.4558485 -0.4455863 0.3369267 -2.7713979 28 N -2.9013393 -0.0818859 0.0000000 0.0818859 -2.9013393 -0.0000000 -0.0000000 0.0000000 -1.4206592 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 8 ] 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: 0.59, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 -0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 -0.000) 0.000 4.564 ( 0.000 0.000 -0.000) 0.000 4.564 ( 0.000 0.000 -0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 -0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 -0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 -0.000) 0.000 6.314 ( 0.000 0.000 -0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 -0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 -0.000) 0.000 8.493 ( 0.000 0.000 -0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 -0.000) 0.000 8.949 ( 0.000 0.000 -0.000) 0.000 9.135 ( 0.000 0.000 -0.000) 0.000 9.745 ( 0.000 0.000 -0.000) 0.000 10.049 ( 0.000 0.000 -0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 10.326 ( 0.000 0.000 -0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 -0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 -0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 -0.000) 0.000 11.732 ( 0.000 0.000 -0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 0.000 -0.000) 0.000 12.370 ( 0.000 0.000 -0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 21.182 ( 0.000 0.000 0.000) 0.000 21.182 ( 0.000 0.000 -0.000) 0.000 21.428 ( 0.000 0.000 0.000) 0.000 21.785 ( 0.000 0.000 0.000) 0.000 21.785 ( 0.000 0.000 -0.000) 0.000 22.219 ( 0.000 0.000 -0.000) 0.000 22.219 ( 0.000 0.000 -0.000) 0.000 22.329 ( 0.000 0.000 0.000) 0.000 22.725 ( 0.000 0.000 0.000) 0.000 22.725 ( 0.000 0.000 0.000) 0.000 22.981 ( 0.000 0.000 -0.000) 0.000 22.981 ( 0.000 0.000 0.000) 0.000 23.071 ( 0.000 0.000 0.000) 0.000 23.243 ( 0.000 0.000 0.000) 0.000 23.243 ( 0.000 0.000 -0.000) 0.000 23.470 ( 0.000 0.000 0.000) 0.000 23.517 ( 0.000 0.000 0.000) 0.000 23.517 ( 0.000 0.000 -0.000) 0.000 24.038 ( 0.000 0.000 0.000) 0.000 24.045 ( 0.000 0.000 0.000) 0.000 24.045 ( 0.000 0.000 0.000) 0.000 24.602 ( 0.000 0.000 0.000) 0.000 24.602 ( 0.000 0.000 0.000) 0.000 25.046 ( 0.000 0.000 0.000) 0.000 25.406 ( 0.000 0.000 -0.000) 0.000 25.406 ( 0.000 0.000 0.000) 0.000 25.478 ( 0.000 0.000 0.000) 0.000 25.771 ( 0.000 0.000 0.000) 0.000 25.771 ( 0.000 0.000 0.000) 0.000 25.923 ( 0.000 0.000 0.000) 0.000 26.243 ( 0.000 0.000 -0.000) 0.000 26.243 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 22.820 13.175 0.000) 26.350 0.736 ( 31.796 18.358 0.000) 36.715 1.363 ( 57.290 33.076 0.000) 66.153 3.289 ( -6.332 -3.656 0.000) 7.311 3.308 ( -3.948 -2.280 0.000) 4.559 3.686 ( -2.692 -1.554 0.000) 3.109 3.983 ( 1.872 1.081 0.000) 2.161 4.040 ( 1.873 1.081 0.000) 2.163 4.452 ( -6.981 -4.031 0.000) 8.061 4.505 ( -5.030 -2.904 0.000) 5.808 4.699 ( 0.094 0.055 0.000) 0.109 4.896 ( 0.458 0.265 0.000) 0.529 5.091 ( -10.009 -5.779 0.000) 11.557 5.235 ( -1.454 -0.840 0.000) 1.679 5.394 ( -20.008 -11.552 0.000) 23.103 5.655 ( -1.531 -0.884 0.000) 1.768 5.700 ( -8.605 -4.968 0.000) 9.936 5.849 ( -5.556 -3.208 0.000) 6.415 6.081 ( 2.600 1.501 0.000) 3.002 6.140 ( 6.034 3.484 0.000) 6.968 6.187 ( 1.660 0.959 0.000) 1.917 6.353 ( -3.048 -1.760 0.000) 3.520 6.434 ( -0.102 -0.059 0.000) 0.118 6.525 ( 12.365 7.139 0.000) 14.278 7.256 ( -2.326 -1.343 0.000) 2.686 7.288 ( 0.352 0.203 0.000) 0.406 7.580 ( 9.375 5.413 0.000) 10.826 7.784 ( -4.243 -2.449 0.000) 4.899 7.901 ( -0.870 -0.502 0.000) 1.005 8.120 ( -0.963 -0.556 0.000) 1.112 8.345 ( -9.987 -5.766 0.000) 11.532 8.575 ( -3.785 -2.185 0.000) 4.370 8.994 ( 3.817 2.204 0.000) 4.407 9.070 ( 10.950 6.322 0.000) 12.644 9.224 ( -17.468 -10.085 0.000) 20.170 9.332 ( 4.522 2.611 0.000) 5.221 9.767 ( -13.208 -7.626 0.000) 15.251 9.936 ( 6.772 3.910 0.000) 7.819 10.033 ( -13.866 -8.006 0.000) 16.011 10.380 ( 3.112 1.796 0.000) 3.593 10.562 ( 10.053 5.804 0.000) 11.608 10.786 ( 4.638 2.678 0.000) 5.355 10.992 ( 17.621 10.174 0.000) 20.348 11.315 ( -4.215 -2.433 0.000) 4.867 11.420 ( -0.203 -0.117 0.000) 0.234 11.723 ( -0.172 -0.099 0.000) 0.198 11.787 ( 11.427 6.597 0.000) 13.195 11.813 ( 0.960 0.554 0.000) 1.108 11.861 ( -2.686 -1.551 0.000) 3.101 12.220 ( -1.043 -0.602 0.000) 1.205 12.393 ( 1.939 1.120 0.000) 2.239 13.053 ( -4.061 -2.345 0.000) 4.689 21.205 ( 1.838 1.061 0.000) 2.123 21.443 ( 1.284 0.741 0.000) 1.482 21.710 ( -0.650 -0.375 0.000) 0.751 21.813 ( 2.284 1.319 0.000) 2.638 22.144 ( 1.114 0.643 0.000) 1.286 22.239 ( 1.547 0.893 0.000) 1.786 22.346 ( 1.574 0.909 0.000) 1.817 22.694 ( -1.956 -1.129 0.000) 2.258 22.715 ( -0.664 -0.383 0.000) 0.766 22.901 ( -0.852 -0.492 0.000) 0.984 22.979 ( -0.475 -0.274 0.000) 0.549 23.015 ( -2.782 -1.606 0.000) 3.213 23.244 ( -1.753 -1.012 0.000) 2.024 23.279 ( -0.772 -0.446 0.000) 0.891 23.297 ( 3.379 1.951 0.000) 3.902 23.436 ( 0.586 0.338 0.000) 0.677 23.604 ( 4.853 2.802 0.000) 5.603 23.862 ( -1.272 -0.734 0.000) 1.469 24.018 ( -2.321 -1.340 0.000) 2.680 24.069 ( 1.667 0.962 0.000) 1.924 24.584 ( -1.417 -0.818 0.000) 1.636 24.589 ( -0.420 -0.243 0.000) 0.485 25.010 ( -3.020 -1.744 0.000) 3.487 25.372 ( -2.351 -1.358 0.000) 2.715 25.376 ( -1.925 -1.111 0.000) 2.223 25.503 ( 1.312 0.758 0.000) 1.515 25.766 ( 0.293 0.169 0.000) 0.339 25.794 ( 1.816 1.048 0.000) 2.097 25.937 ( 1.272 0.734 0.000) 1.468 26.173 ( -1.104 -0.637 0.000) 1.275 26.261 ( 1.302 0.752 0.000) 1.503 26.449 ( -2.050 -1.184 0.000) 2.367 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 22.681 13.095 0.000) 26.190 1.449 ( 29.534 17.051 0.000) 34.103 2.547 ( 34.456 19.893 0.000) 39.786 3.127 ( -0.671 -0.387 0.000) 0.775 3.190 ( -6.216 -3.589 0.000) 7.178 3.444 ( -11.682 -6.745 0.000) 13.489 3.990 ( -4.542 -2.622 0.000) 5.244 4.223 ( 8.849 5.109 0.000) 10.218 4.287 ( -5.280 -3.049 0.000) 6.097 4.402 ( -3.303 -1.907 0.000) 3.814 4.673 ( -2.261 -1.305 0.000) 2.611 4.830 ( 0.907 0.524 0.000) 1.048 4.955 ( -5.209 -3.008 0.000) 6.015 4.997 ( -10.506 -6.066 0.000) 12.132 5.216 ( -0.695 -0.401 0.000) 0.802 5.473 ( -8.542 -4.932 0.000) 9.864 5.648 ( -0.925 -0.534 0.000) 1.068 5.810 ( 2.102 1.214 0.000) 2.427 5.952 ( -9.670 -5.583 0.000) 11.166 6.185 ( -3.827 -2.210 0.000) 4.419 6.243 ( 1.183 0.683 0.000) 1.366 6.316 ( -2.278 -1.315 0.000) 2.630 6.438 ( -0.379 -0.219 0.000) 0.438 6.716 ( 3.016 1.741 0.000) 3.482 7.127 ( -7.515 -4.339 0.000) 8.677 7.276 ( -0.785 -0.453 0.000) 0.907 7.657 ( -0.777 -0.449 0.000) 0.897 7.767 ( -5.256 -3.035 0.000) 6.069 7.881 ( 3.636 2.099 0.000) 4.198 8.075 ( -4.049 -2.338 0.000) 4.675 8.249 ( 5.059 2.921 0.000) 5.842 8.390 ( -11.662 -6.733 0.000) 13.466 8.891 ( -5.682 -3.281 0.000) 6.561 9.061 ( 0.282 0.163 0.000) 0.326 9.335 ( 6.825 3.940 0.000) 7.881 9.371 ( -3.644 -2.104 0.000) 4.208 9.539 ( -3.134 -1.809 0.000) 3.619 9.807 ( -1.389 -0.802 0.000) 1.604 10.175 ( 11.034 6.371 0.000) 12.741 10.511 ( 6.600 3.810 0.000) 7.620 10.774 ( 6.863 3.962 0.000) 7.925 10.885 ( 4.221 2.437 0.000) 4.875 11.203 ( -4.241 -2.449 0.000) 4.897 11.263 ( 5.391 3.113 0.000) 6.225 11.408 ( -1.085 -0.627 0.000) 1.253 11.681 ( -5.008 -2.892 0.000) 5.783 11.809 ( 0.729 0.421 0.000) 0.842 11.840 ( 1.193 0.689 0.000) 1.377 12.066 ( 10.154 5.863 0.000) 11.725 12.215 ( 1.059 0.611 0.000) 1.222 12.459 ( 3.836 2.215 0.000) 4.429 12.925 ( -6.551 -3.782 0.000) 7.565 21.254 ( 2.074 1.197 0.000) 2.394 21.482 ( 1.834 1.059 0.000) 2.118 21.695 ( -0.591 -0.341 0.000) 0.682 21.887 ( 4.019 2.320 0.000) 4.640 22.165 ( 0.326 0.188 0.000) 0.377 22.276 ( 1.322 0.763 0.000) 1.527 22.409 ( 4.066 2.347 0.000) 4.695 22.656 ( -1.308 -0.755 0.000) 1.510 22.699 ( -0.517 -0.299 0.000) 0.597 22.822 ( -4.928 -2.845 0.000) 5.691 22.948 ( -3.669 -2.118 0.000) 4.237 22.983 ( 0.476 0.275 0.000) 0.550 23.187 ( -2.645 -1.527 0.000) 3.054 23.232 ( -1.768 -1.021 0.000) 2.041 23.415 ( 6.134 3.541 0.000) 7.083 23.503 ( 3.949 2.280 0.000) 4.560 23.717 ( 4.531 2.616 0.000) 5.232 23.839 ( -0.646 -0.373 0.000) 0.746 23.944 ( -3.704 -2.139 0.000) 4.277 24.077 ( -1.446 -0.835 0.000) 1.670 24.541 ( -2.049 -1.183 0.000) 2.366 24.604 ( 2.048 1.182 0.000) 2.365 24.916 ( -4.803 -2.773 0.000) 5.546 25.300 ( -3.275 -1.891 0.000) 3.781 25.346 ( -0.725 -0.419 0.000) 0.837 25.519 ( 0.002 0.001 0.000) 0.003 25.766 ( -0.363 -0.209 0.000) 0.419 25.854 ( 3.312 1.912 0.000) 3.824 25.985 ( 2.703 1.561 0.000) 3.122 26.140 ( -1.628 -0.940 0.000) 1.880 26.279 ( -0.525 -0.303 0.000) 0.607 26.396 ( -1.777 -1.026 0.000) 2.051 ======================= Grid point 3 (4/52) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 16.409 9.474 0.000) 18.947 2.079 ( 23.539 13.590 0.000) 27.181 2.496 ( -16.186 -9.345 0.000) 18.690 2.836 ( -16.178 -9.340 0.000) 18.680 3.326 ( -0.240 -0.139 0.000) 0.277 3.694 ( 13.517 7.804 0.000) 15.608 3.894 ( 4.086 2.359 0.000) 4.718 4.105 ( -4.349 -2.511 0.000) 5.022 4.298 ( -1.377 -0.795 0.000) 1.590 4.512 ( 9.421 5.439 0.000) 10.879 4.716 ( -4.361 -2.518 0.000) 5.036 4.748 ( 2.517 1.453 0.000) 2.906 4.875 ( -0.193 -0.112 0.000) 0.223 5.091 ( 12.234 7.063 0.000) 14.127 5.211 ( 1.119 0.646 0.000) 1.292 5.312 ( -3.962 -2.287 0.000) 4.575 5.620 ( -5.954 -3.437 0.000) 6.875 5.723 ( -6.238 -3.602 0.000) 7.203 5.823 ( -21.351 -12.327 0.000) 24.654 5.892 ( 1.052 0.607 0.000) 1.215 6.187 ( -1.576 -0.910 0.000) 1.820 6.286 ( -0.301 -0.174 0.000) 0.348 6.426 ( 0.125 0.072 0.000) 0.144 6.798 ( 4.926 2.844 0.000) 5.688 6.956 ( -7.508 -4.335 0.000) 8.669 7.311 ( 3.843 2.219 0.000) 4.437 7.620 ( -1.724 -0.996 0.000) 1.991 7.659 ( -3.679 -2.124 0.000) 4.248 7.820 ( -4.847 -2.799 0.000) 5.597 8.098 ( 2.202 1.271 0.000) 2.543 8.196 ( -2.928 -1.691 0.000) 3.381 8.410 ( 5.301 3.060 0.000) 6.121 8.866 ( 1.202 0.694 0.000) 1.388 9.021 ( -1.790 -1.033 0.000) 2.067 9.228 ( -6.179 -3.568 0.000) 7.135 9.321 ( -1.538 -0.888 0.000) 1.776 9.662 ( 5.359 3.094 0.000) 6.188 9.870 ( 3.644 2.104 0.000) 4.208 10.397 ( 6.485 3.744 0.000) 7.488 10.596 ( 0.097 0.056 0.000) 0.112 10.886 ( 3.754 2.167 0.000) 4.335 10.941 ( -0.342 -0.198 0.000) 0.395 11.172 ( 2.750 1.588 0.000) 3.176 11.303 ( -5.569 -3.215 0.000) 6.431 11.377 ( 2.472 1.427 0.000) 2.855 11.602 ( -0.105 -0.060 0.000) 0.121 11.721 ( -5.439 -3.140 0.000) 6.280 11.935 ( 3.208 1.852 0.000) 3.705 12.224 ( 3.402 1.964 0.000) 3.928 12.251 ( 1.138 0.657 0.000) 1.314 12.557 ( 3.691 2.131 0.000) 4.262 12.781 ( -4.804 -2.773 0.000) 5.547 21.289 ( 0.812 0.469 0.000) 0.938 21.517 ( 0.978 0.565 0.000) 1.130 21.684 ( -0.286 -0.165 0.000) 0.331 21.979 ( 3.068 1.771 0.000) 3.543 22.153 ( -1.005 -0.580 0.000) 1.161 22.296 ( 0.420 0.243 0.000) 0.485 22.526 ( 5.347 3.087 0.000) 6.175 22.626 ( -1.689 -0.975 0.000) 1.950 22.690 ( -0.934 -0.539 0.000) 1.078 22.719 ( -2.793 -1.613 0.000) 3.225 22.853 ( -2.994 -1.729 0.000) 3.458 23.001 ( 0.693 0.400 0.000) 0.800 23.126 ( -1.918 -1.108 0.000) 2.215 23.220 ( 0.113 0.065 0.000) 0.131 23.554 ( 4.921 2.841 0.000) 5.683 23.579 ( 2.013 1.162 0.000) 2.324 23.761 ( -1.667 -0.962 0.000) 1.924 23.838 ( 0.335 0.194 0.000) 0.387 23.896 ( 1.026 0.592 0.000) 1.184 24.012 ( -3.262 -1.883 0.000) 3.766 24.502 ( -1.039 -0.600 0.000) 1.200 24.680 ( 4.065 2.347 0.000) 4.694 24.801 ( -4.787 -2.764 0.000) 5.528 25.241 ( -1.469 -0.848 0.000) 1.696 25.338 ( -0.103 -0.060 0.000) 0.119 25.511 ( -0.369 -0.213 0.000) 0.426 25.755 ( -0.342 -0.197 0.000) 0.395 25.932 ( 2.751 1.588 0.000) 3.177 26.037 ( 0.778 0.449 0.000) 0.898 26.115 ( 0.295 0.170 0.000) 0.340 26.227 ( -2.919 -1.686 0.000) 3.371 26.384 ( 0.156 0.090 0.000) 0.180 ======================= Grid point 8 (5/52) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 13.976 24.207 8.546) 29.229 1.263 ( 17.448 30.220 0.289) 34.896 2.282 ( 28.415 49.217 -2.847) 56.902 3.193 ( -4.175 -7.231 -1.623) 8.506 3.206 ( -2.459 -4.258 1.303) 5.087 3.640 ( -4.067 -7.045 -4.348) 9.224 3.734 ( -7.731 -13.390 6.047) 16.602 4.265 ( 2.278 3.945 -3.259) 5.601 4.383 ( -3.184 -5.515 2.125) 6.713 4.425 ( 3.686 6.384 0.663) 7.402 4.705 ( 0.261 0.452 1.969) 2.037 4.755 ( -6.171 -10.689 -4.137) 13.017 4.990 ( -2.932 -5.078 -0.283) 5.870 5.192 ( -4.607 -7.980 5.047) 10.506 5.205 ( -0.983 -1.702 -0.989) 2.200 5.449 ( -7.046 -12.204 -4.766) 14.876 5.680 ( 0.042 0.072 -4.150) 4.151 5.755 ( -2.380 -4.123 -1.989) 5.159 6.010 ( -3.857 -6.680 -2.985) 8.271 6.168 ( 0.643 1.113 7.627) 7.735 6.273 ( 0.324 0.562 1.463) 1.601 6.352 ( -0.161 -0.279 0.039) 0.325 6.443 ( 1.005 1.741 -0.225) 2.023 6.660 ( 2.347 4.065 -2.751) 5.441 7.231 ( -3.395 -5.880 11.124) 13.032 7.258 ( -0.899 -1.557 -6.837) 7.070 7.682 ( -1.502 -2.602 3.107) 4.322 7.745 ( 4.663 8.077 0.421) 9.335 7.912 ( -0.917 -1.588 -5.817) 6.099 8.107 ( 0.062 0.107 3.653) 3.655 8.307 ( -6.075 -10.523 -0.952) 12.188 8.317 ( -2.773 -4.802 -0.616) 5.579 8.843 ( -11.501 -19.920 -1.501) 23.051 9.007 ( 1.164 2.016 -1.764) 2.920 9.282 ( 6.984 12.097 1.282) 14.028 9.570 ( -6.022 -10.430 -1.746) 12.170 9.620 ( 7.019 12.158 -3.019) 14.360 9.948 ( 1.066 1.847 -3.476) 4.078 10.011 ( 1.467 2.541 3.208) 4.347 10.378 ( 0.498 0.863 4.463) 4.573 10.583 ( 3.998 6.925 1.808) 8.199 11.062 ( 1.938 3.356 5.382) 6.632 11.142 ( 6.069 10.511 -3.329) 12.586 11.310 ( 0.439 0.760 3.588) 3.694 11.371 ( -1.043 -1.807 -1.945) 2.852 11.660 ( -3.078 -5.331 1.033) 6.242 11.815 ( -0.418 -0.725 -2.511) 2.647 11.835 ( 1.157 2.005 1.297) 2.654 12.012 ( 5.448 9.437 -2.595) 11.201 12.230 ( 1.755 3.039 -0.200) 3.515 12.428 ( 1.383 2.396 0.130) 2.770 12.962 ( -3.724 -6.450 -0.285) 7.453 21.248 ( 1.676 2.903 -0.306) 3.366 21.466 ( 0.763 1.321 1.488) 2.131 21.694 ( -0.437 -0.757 0.475) 0.995 21.871 ( 2.407 4.169 -0.492) 4.839 22.160 ( 0.394 0.683 0.416) 0.892 22.270 ( 1.017 1.762 -0.937) 2.240 22.382 ( 1.634 2.830 -1.954) 3.808 22.659 ( -0.942 -1.632 3.756) 4.202 22.712 ( 0.046 0.079 -5.457) 5.458 22.862 ( -3.501 -6.064 -1.626) 7.188 22.916 ( -0.433 -0.749 3.022) 3.143 23.021 ( -0.612 -1.059 0.084) 1.226 23.210 ( -1.555 -2.694 -0.812) 3.215 23.245 ( -1.578 -2.733 -3.783) 4.926 23.358 ( 3.074 5.324 5.216) 8.063 23.481 ( 2.578 4.465 3.781) 6.393 23.696 ( 3.051 5.285 -0.344) 6.113 23.841 ( -0.613 -1.061 1.947) 2.301 23.980 ( -1.725 -2.988 -5.218) 6.255 24.073 ( -0.512 -0.887 1.466) 1.788 24.563 ( -0.779 -1.349 -0.775) 1.740 24.584 ( 0.308 0.534 0.527) 0.811 24.944 ( -2.639 -4.571 0.417) 5.295 25.334 ( -1.497 -2.593 0.256) 3.005 25.339 ( -1.048 -1.815 0.228) 2.109 25.517 ( 0.144 0.250 -1.732) 1.756 25.780 ( 0.689 1.193 -2.197) 2.594 25.815 ( 0.511 0.885 0.662) 1.217 25.976 ( 1.897 3.285 1.705) 4.159 26.143 ( -1.129 -1.955 -2.273) 3.203 26.295 ( 1.068 1.849 1.309) 2.504 26.400 ( -1.971 -3.414 1.003) 4.067 ======================= Grid point 9 (6/52) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 15.325 23.268 6.284) 28.561 1.867 ( 20.095 22.379 0.784) 30.087 2.718 ( -13.106 -2.042 0.290) 13.267 3.034 ( -9.584 -7.146 -0.391) 11.961 3.322 ( -7.200 -4.114 -0.161) 8.294 3.484 ( 16.071 14.865 -1.023) 21.915 3.673 ( 15.600 -8.287 3.032) 17.922 4.158 ( -6.671 -3.882 0.185) 7.720 4.272 ( 0.869 -7.630 0.361) 7.687 4.534 ( -4.523 6.744 -3.940) 9.026 4.690 ( 3.304 -3.559 -3.344) 5.896 4.826 ( 2.177 11.490 -1.054) 11.742 4.901 ( -1.426 -1.223 -2.284) 2.957 5.022 ( -3.272 2.470 0.533) 4.134 5.211 ( 2.329 -0.124 0.815) 2.470 5.294 ( -0.973 -7.204 -0.507) 7.287 5.665 ( -1.965 -0.750 -2.817) 3.516 5.708 ( 1.188 -6.284 -3.565) 7.321 5.878 ( -2.390 -4.150 -4.819) 6.794 6.096 ( -14.442 -6.630 7.302) 17.488 6.179 ( -4.704 -2.848 3.518) 6.528 6.325 ( -2.361 -2.355 2.754) 4.325 6.424 ( -2.901 -2.277 0.388) 3.708 6.692 ( 5.561 -5.116 -1.238) 7.657 7.042 ( -7.077 -4.054 1.506) 8.294 7.235 ( 2.564 -2.887 -1.210) 4.047 7.679 ( -2.847 3.667 -2.842) 5.444 7.766 ( -4.402 0.964 2.157) 4.996 7.919 ( -4.035 2.756 2.467) 5.474 8.056 ( 1.587 -2.075 -2.041) 3.316 8.168 ( -3.110 -7.057 6.138) 9.857 8.324 ( 5.949 1.624 -0.689) 6.205 8.614 ( 5.095 -16.853 -2.326) 17.760 9.053 ( 1.242 3.043 -3.499) 4.801 9.341 ( -9.378 -3.537 -3.019) 10.468 9.458 ( 1.625 2.334 -1.112) 3.053 9.754 ( -4.456 17.472 -3.395) 18.348 9.946 ( -5.544 11.713 0.987) 12.996 10.235 ( 14.767 0.963 -0.848) 14.823 10.466 ( 7.981 -5.311 2.736) 9.969 10.767 ( 8.574 6.006 0.946) 10.511 11.045 ( -2.621 1.694 6.108) 6.859 11.210 ( -4.386 1.797 -0.771) 4.802 11.300 ( -0.196 0.101 1.412) 1.429 11.376 ( -0.959 -2.753 4.433) 5.306 11.533 ( 0.022 -10.316 2.485) 10.611 11.814 ( -3.932 3.846 -2.441) 6.018 11.901 ( 3.929 2.519 -3.392) 5.770 12.147 ( 5.299 2.356 0.737) 5.845 12.326 ( -0.687 8.541 -1.954) 8.788 12.497 ( 4.564 1.399 -0.035) 4.774 12.814 ( -4.765 -7.030 -0.810) 8.532 21.305 ( 0.593 3.543 -0.202) 3.598 21.490 ( 1.385 -0.528 0.784) 1.677 21.687 ( -0.032 -0.055 1.908) 1.909 21.969 ( 2.853 5.491 -1.089) 6.283 22.163 ( -0.415 -0.373 -0.872) 1.035 22.287 ( -0.067 -0.471 -0.763) 0.900 22.466 ( 4.399 3.392 -2.112) 5.943 22.648 ( -0.360 0.914 1.089) 1.466 22.705 ( -1.514 0.018 -1.969) 2.484 22.747 ( -2.235 -3.877 -2.333) 5.047 22.868 ( -2.731 -4.068 1.142) 5.031 22.978 ( -0.610 -2.948 0.639) 3.078 23.163 ( -2.405 -0.426 1.156) 2.702 23.203 ( 0.378 -1.935 -0.293) 1.993 23.498 ( 5.683 5.704 5.514) 9.759 23.581 ( 2.332 5.227 2.275) 6.159 23.784 ( 0.708 2.872 -0.250) 2.969 23.827 ( 0.514 -0.604 1.949) 2.104 23.906 ( -2.707 -1.977 -5.610) 6.535 24.022 ( -1.985 -4.430 0.574) 4.888 24.533 ( -1.888 0.416 -0.829) 2.104 24.629 ( 3.469 1.421 0.352) 3.765 24.839 ( -3.754 -4.569 0.697) 5.954 25.273 ( -2.724 -0.638 0.033) 2.798 25.321 ( 0.756 -1.874 0.344) 2.050 25.508 ( -0.362 -1.145 -2.938) 3.174 25.786 ( -1.828 2.127 -0.856) 2.932 25.858 ( 4.333 -1.033 -1.796) 4.803 26.050 ( 0.711 4.103 1.733) 4.511 26.110 ( 0.617 -1.347 -1.559) 2.150 26.284 ( -4.648 -0.135 1.750) 4.969 26.356 ( 1.745 -2.330 1.290) 3.184 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -6.708 11.618 5.385) 14.456 2.286 ( 0.672 -1.164 3.697) 3.934 2.430 ( -5.369 9.299 -1.565) 10.850 2.793 ( -3.759 6.511 0.093) 7.519 3.268 ( 3.440 -5.959 0.759) 6.922 3.510 ( 10.767 -18.649 1.599) 21.593 3.998 ( -2.383 4.128 -4.609) 6.630 4.093 ( -0.617 1.069 3.170) 3.401 4.251 ( 2.334 -4.042 -0.115) 4.669 4.614 ( 0.623 -1.080 -9.097) 9.182 4.645 ( -2.067 3.581 -0.897) 4.231 4.859 ( -3.138 5.435 0.489) 6.294 4.890 ( -0.369 0.638 -3.307) 3.388 5.144 ( 4.161 -7.208 0.945) 8.376 5.213 ( -1.919 3.324 2.023) 4.339 5.417 ( -4.833 8.371 -1.742) 9.822 5.456 ( 1.283 -2.222 2.241) 3.407 5.654 ( 2.962 -5.131 -1.974) 6.245 5.757 ( -2.354 4.077 -1.610) 4.975 5.851 ( 2.274 -3.939 -4.927) 6.706 6.173 ( -1.663 2.881 2.642) 4.248 6.263 ( 2.347 -4.065 5.592) 7.301 6.397 ( 1.768 -3.063 1.232) 3.745 6.731 ( 8.044 -13.932 3.532) 16.470 6.949 ( -4.993 8.648 -1.842) 10.154 7.292 ( 2.040 -3.534 -2.792) 4.944 7.638 ( -0.099 0.172 -2.275) 2.283 7.689 ( -3.339 5.784 -1.521) 6.850 7.895 ( -4.638 8.033 7.514) 11.937 8.062 ( 1.920 -3.326 8.940) 9.730 8.131 ( 2.083 -3.607 -7.588) 8.656 8.408 ( 1.656 -2.868 2.611) 4.217 8.583 ( 9.634 -16.686 -0.825) 19.285 9.115 ( -3.753 6.501 -5.070) 9.058 9.191 ( -0.285 0.494 -3.921) 3.963 9.470 ( -1.114 1.930 -2.834) 3.605 9.819 ( -8.634 14.955 -0.594) 17.279 9.969 ( -4.256 7.371 -0.804) 8.549 10.419 ( 1.176 -2.037 4.252) 4.859 10.465 ( 5.162 -8.940 -4.033) 11.083 10.954 ( -1.347 2.333 -2.487) 3.666 10.988 ( -2.798 4.847 5.449) 7.812 11.210 ( 0.084 -0.145 4.996) 4.999 11.226 ( 0.419 -0.725 4.309) 4.389 11.332 ( 3.448 -5.973 3.027) 7.532 11.500 ( 5.312 -9.201 2.938) 11.024 11.785 ( -4.993 8.649 -3.419) 10.556 11.955 ( -0.044 0.076 -2.574) 2.575 12.226 ( 0.897 -1.554 0.203) 1.806 12.349 ( -4.314 7.472 -1.613) 8.777 12.573 ( 0.469 -0.813 -0.079) 0.942 12.708 ( 2.279 -3.948 -1.448) 4.783 21.329 ( -1.802 3.122 -0.017) 3.605 21.500 ( 1.256 -2.175 -0.038) 2.512 21.687 ( -0.254 0.441 2.880) 2.925 22.039 ( -2.162 3.744 -1.192) 4.485 22.148 ( -0.055 0.096 -1.898) 1.901 22.277 ( 1.248 -2.162 -0.610) 2.570 22.573 ( -0.317 0.550 -2.977) 3.044 22.599 ( 0.223 -0.386 -0.940) 1.040 22.706 ( -1.500 2.598 -0.268) 3.012 22.715 ( -0.079 0.137 -0.442) 0.469 22.798 ( 1.507 -2.610 0.880) 3.140 22.958 ( 2.484 -4.302 -0.409) 4.985 23.136 ( -0.936 1.620 1.800) 2.596 23.201 ( 1.000 -1.731 1.665) 2.602 23.621 ( -1.739 3.012 3.819) 5.165 23.622 ( -1.953 3.382 3.687) 5.371 23.759 ( -0.451 0.782 0.376) 0.978 23.833 ( 0.436 -0.754 1.394) 1.643 23.907 ( 0.169 -0.292 -4.568) 4.580 23.952 ( 1.902 -3.294 -1.332) 4.030 24.517 ( -1.086 1.880 -0.924) 2.360 24.703 ( 0.646 -1.119 0.193) 1.306 24.748 ( 0.686 -1.187 0.989) 1.690 25.244 ( -0.603 1.044 -0.049) 1.206 25.320 ( 0.943 -1.634 0.479) 1.947 25.496 ( 0.621 -1.075 -3.489) 3.703 25.778 ( -1.301 2.254 -0.434) 2.639 25.903 ( 1.883 -3.262 -2.693) 4.630 26.049 ( -0.512 0.887 -1.391) 1.727 26.171 ( -1.991 3.448 2.669) 4.793 26.193 ( 0.563 -0.976 1.128) 1.595 26.365 ( 1.018 -1.763 1.434) 2.490 ======================= Grid point 17 (8/52) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 12.493 21.639 6.291) 25.767 2.218 ( 3.713 6.431 4.288) 8.575 2.627 ( -1.798 -3.114 -1.748) 3.999 2.951 ( -0.715 -1.239 2.859) 3.197 3.185 ( -6.014 -10.417 -2.322) 12.251 3.195 ( -6.123 -10.605 4.426) 13.021 4.034 ( 5.758 9.973 -5.494) 12.759 4.131 ( -1.081 -1.873 2.798) 3.536 4.157 ( -0.133 -0.231 0.251) 0.367 4.640 ( 4.053 7.020 -5.181) 9.620 4.666 ( 1.541 2.669 -9.154) 9.659 4.881 ( -0.229 -0.396 -3.085) 3.119 4.978 ( -0.919 -1.592 0.039) 1.839 5.009 ( 0.734 1.271 -2.505) 2.904 5.248 ( 1.418 2.457 0.701) 2.922 5.362 ( 5.950 10.305 2.641) 12.189 5.538 ( -3.004 -5.203 -1.286) 6.144 5.677 ( -1.657 -2.870 -1.962) 3.851 5.782 ( -3.079 -5.333 -5.743) 8.420 5.939 ( -5.865 -10.159 4.521) 12.571 6.053 ( -5.490 -9.508 5.123) 12.116 6.278 ( 2.909 5.039 5.128) 7.756 6.367 ( -0.719 -1.245 -0.558) 1.542 6.519 ( -4.923 -8.527 2.650) 10.196 7.109 ( 3.442 5.962 -3.332) 7.648 7.205 ( 0.538 0.932 -1.663) 1.981 7.644 ( -4.162 -7.209 -1.076) 8.394 7.788 ( 0.991 1.716 7.047) 7.320 7.974 ( 0.600 1.039 -1.463) 1.892 8.012 ( -0.448 -0.777 2.128) 2.309 8.093 ( -1.331 -2.305 -3.579) 4.461 8.353 ( 1.521 2.635 6.009) 6.735 8.418 ( -2.183 -3.781 0.585) 4.405 9.148 ( 3.202 5.547 -5.644) 8.537 9.247 ( -2.607 -4.516 -5.642) 7.683 9.440 ( -1.693 -2.932 -3.816) 5.101 10.047 ( 5.433 9.411 -3.045) 11.285 10.111 ( 2.128 3.686 -3.328) 5.402 10.298 ( 2.623 4.544 -0.112) 5.248 10.385 ( -1.954 -3.385 2.480) 4.629 10.945 ( 5.889 10.200 1.145) 11.833 11.084 ( 1.887 3.268 12.582) 13.135 11.189 ( -1.842 -3.191 -3.319) 4.959 11.256 ( -3.106 -5.380 5.069) 8.018 11.286 ( -2.915 -5.049 9.879) 11.471 11.326 ( -3.508 -6.076 -1.130) 7.106 11.923 ( 1.455 2.520 -2.513) 3.844 11.934 ( 1.372 2.376 -3.156) 4.182 12.192 ( 1.054 1.826 -0.014) 2.109 12.483 ( 3.383 5.860 -2.735) 7.298 12.518 ( 1.013 1.755 0.202) 2.037 12.661 ( -4.380 -7.586 -1.773) 8.937 21.379 ( 1.936 3.353 -0.267) 3.881 21.460 ( -1.226 -2.124 0.079) 2.454 21.693 ( 0.232 0.402 4.313) 4.338 22.091 ( 3.386 5.865 -2.103) 7.091 22.154 ( -0.264 -0.457 -2.435) 2.491 22.239 ( -2.207 -3.822 -1.112) 4.551 22.552 ( 2.904 5.031 -2.533) 6.337 22.639 ( -1.670 -2.893 -1.780) 3.785 22.687 ( -1.638 -2.837 -5.184) 6.132 22.734 ( 2.464 4.268 2.343) 5.457 22.807 ( -1.178 -2.041 1.951) 3.059 22.883 ( -2.790 -4.832 0.043) 5.580 23.167 ( -0.360 -0.623 1.987) 2.113 23.168 ( -0.058 -0.100 2.972) 2.974 23.642 ( 4.475 7.751 6.598) 11.119 23.688 ( 2.586 4.480 2.087) 5.578 23.792 ( -1.952 -3.381 1.760) 4.282 23.797 ( -1.304 -2.259 6.812) 7.294 23.883 ( 0.333 0.576 -8.461) 8.487 23.926 ( -2.316 -4.011 -4.456) 6.427 24.549 ( 0.434 0.751 -1.821) 2.017 24.669 ( 1.540 2.667 0.973) 3.229 24.747 ( -2.452 -4.246 1.133) 5.032 25.269 ( -0.063 -0.110 0.201) 0.237 25.288 ( -0.515 -0.893 0.467) 1.132 25.482 ( -0.559 -0.967 -4.772) 4.901 25.827 ( 0.293 0.508 -1.316) 1.441 25.843 ( 0.383 0.663 -2.374) 2.494 26.066 ( -0.587 -1.017 -2.905) 3.133 26.155 ( 2.505 4.339 2.759) 5.720 26.243 ( -2.089 -3.618 2.143) 4.695 26.333 ( -0.104 -0.181 2.501) 2.510 ======================= Grid point 55 (9/52) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 0.000 39.040) 39.040 0.819 ( -0.000 0.000 39.040) 39.040 1.648 ( 0.000 0.000 76.531) 76.531 3.557 ( -0.000 -0.000 14.627) 14.627 3.557 ( 0.000 0.000 14.627) 14.627 3.645 ( 0.000 0.000 0.049) 0.049 4.045 ( 0.000 0.000 4.094) 4.094 4.045 ( 0.000 0.000 4.094) 4.094 4.723 ( 0.000 -0.000 12.727) 12.727 4.723 ( 0.000 0.000 12.727) 12.727 4.769 ( 0.000 -0.000 -6.162) 6.162 4.887 ( 0.000 -0.000 15.116) 15.116 5.156 ( 0.000 0.000 -7.942) 7.942 5.156 ( 0.000 -0.000 -7.942) 7.942 5.589 ( 0.000 -0.000 -12.961) 12.961 5.589 ( -0.000 0.000 -12.961) 12.961 5.772 ( 0.000 0.000 -6.043) 6.043 5.926 ( 0.000 0.000 11.925) 11.925 6.196 ( 0.000 0.000 9.870) 9.870 6.196 ( 0.000 0.000 9.870) 9.870 6.238 ( 0.000 -0.000 5.997) 5.997 6.374 ( 0.000 -0.000 6.344) 6.344 6.374 ( 0.000 0.000 6.344) 6.344 6.977 ( 0.000 -0.000 23.632) 23.632 7.317 ( 0.000 0.000 3.811) 3.811 7.317 ( 0.000 0.000 3.811) 3.811 7.602 ( 0.000 0.000 6.442) 6.442 7.968 ( 0.000 -0.000 7.610) 7.610 7.968 ( 0.000 0.000 7.610) 7.610 8.084 ( 0.000 -0.000 -3.600) 3.600 8.458 ( 0.000 -0.000 -3.283) 3.283 8.458 ( 0.000 0.000 -3.283) 3.283 8.620 ( 0.000 -0.000 -20.563) 20.563 8.931 ( 0.000 -0.000 -1.644) 1.644 8.931 ( 0.000 0.000 -1.644) 1.644 9.353 ( 0.000 0.000 12.219) 12.219 9.735 ( 0.000 0.000 -1.134) 1.134 10.265 ( 0.000 -0.000 -5.802) 5.802 10.265 ( 0.000 0.000 -5.802) 5.802 10.300 ( 0.000 -0.000 3.749) 3.749 10.400 ( 0.000 0.000 0.215) 0.215 10.584 ( 0.000 -0.000 -5.744) 5.744 10.584 ( 0.000 -0.000 -5.744) 5.744 11.304 ( 0.000 -0.000 -5.200) 5.200 11.304 ( 0.000 -0.000 -5.200) 5.200 11.570 ( 0.000 0.000 -5.126) 5.126 11.710 ( 0.000 0.000 -15.833) 15.833 11.718 ( -0.000 -0.000 -1.758) 1.758 11.718 ( 0.000 0.000 -1.758) 1.758 12.341 ( 0.000 -0.000 -5.120) 5.120 12.568 ( 0.000 0.000 3.693) 3.693 13.109 ( 0.000 0.000 0.722) 0.722 21.227 ( 0.000 -0.000 4.088) 4.088 21.227 ( 0.000 0.000 4.088) 4.088 21.814 ( 0.000 0.000 2.356) 2.356 21.814 ( -0.000 0.000 2.356) 2.356 22.097 ( 0.000 0.000 3.654) 3.654 22.201 ( 0.000 0.000 -1.689) 1.689 22.201 ( 0.000 0.000 -1.689) 1.689 22.674 ( 0.000 0.000 -3.261) 3.261 22.674 ( 0.000 0.000 -3.261) 3.261 22.939 ( 0.000 -0.000 -9.264) 9.264 23.008 ( 0.000 -0.000 1.889) 1.889 23.008 ( 0.000 0.000 1.889) 1.889 23.299 ( 0.000 0.000 4.621) 4.621 23.299 ( 0.000 0.000 4.621) 4.621 23.596 ( 0.000 0.000 7.072) 7.072 23.596 ( 0.000 0.000 7.072) 7.072 23.639 ( 0.000 -0.000 12.750) 12.750 24.048 ( 0.000 -0.000 0.297) 0.297 24.048 ( 0.000 0.000 0.297) 0.297 24.073 ( 0.000 0.000 3.862) 3.862 24.618 ( 0.000 -0.000 1.548) 1.548 24.618 ( 0.000 0.000 1.548) 1.548 25.032 ( 0.000 0.000 -1.440) 1.440 25.302 ( 0.000 -0.000 -5.376) 5.376 25.373 ( 0.000 -0.000 -3.133) 3.133 25.373 ( 0.000 0.000 -3.133) 3.133 25.789 ( 0.000 0.000 1.814) 1.814 25.789 ( 0.000 0.000 1.814) 1.814 25.946 ( 0.000 -0.000 2.130) 2.130 26.242 ( 0.000 -0.000 -0.130) 0.130 26.242 ( 0.000 0.000 -0.130) 0.130 26.394 ( 0.000 -0.000 -0.819) 0.819 ======================= Grid point 56 (10/52) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 6.022 19.234 30.067) 36.198 1.194 ( 25.970 8.414 30.047) 40.596 2.080 ( 34.427 17.247 58.083) 69.687 3.457 ( -7.557 -4.055 11.379) 14.249 3.532 ( -2.757 -2.120 17.195) 17.543 3.697 ( 2.294 -4.031 2.525) 5.281 3.975 ( -4.687 10.053 1.749) 11.229 4.093 ( 4.939 -4.597 5.592) 8.764 4.586 ( -9.196 -3.181 8.229) 12.743 4.672 ( -4.144 -4.620 12.467) 13.927 4.798 ( -3.967 -0.772 5.019) 6.444 4.856 ( 0.207 0.073 -0.245) 0.329 5.026 ( -4.241 -7.635 -5.183) 10.156 5.201 ( -1.971 0.412 -3.777) 4.280 5.319 ( -15.342 -0.039 -2.888) 15.612 5.566 ( 1.708 -10.823 -6.711) 12.849 5.842 ( -6.178 -5.194 3.680) 8.870 5.874 ( -0.763 -4.946 10.872) 11.968 6.040 ( 3.058 9.276 -1.936) 9.957 6.081 ( -7.740 1.985 1.213) 8.082 6.308 ( 5.676 -8.725 5.405) 11.729 6.464 ( -0.829 3.073 9.180) 9.716 6.613 ( 11.070 8.108 6.627) 15.238 6.873 ( -5.112 -1.806 32.633) 33.080 7.136 ( -4.971 -3.175 -1.210) 6.021 7.478 ( 3.377 1.631 6.799) 7.764 7.615 ( 4.334 6.624 3.492) 8.652 7.751 ( -13.920 -0.479 2.917) 14.231 7.964 ( -0.059 -12.016 2.207) 12.217 8.146 ( -1.550 5.742 1.847) 6.227 8.322 ( -7.086 -6.672 -2.349) 10.012 8.516 ( 4.246 -3.755 -4.452) 7.208 8.752 ( 8.560 7.358 -17.533) 20.852 9.047 ( 7.392 0.930 -3.307) 8.151 9.205 ( -1.047 4.085 -3.260) 5.330 9.397 ( -6.930 -3.718 1.453) 7.998 9.542 ( 9.094 4.223 -3.618) 10.660 9.887 ( -15.407 -6.010 -3.018) 16.811 10.020 ( -6.799 -12.027 -0.179) 13.817 10.355 ( -1.339 0.092 -3.255) 3.521 10.561 ( 7.174 8.489 -1.517) 11.218 10.691 ( 3.998 6.679 -7.421) 10.755 10.921 ( 14.319 8.175 -6.596) 17.759 11.256 ( -3.514 1.438 -4.076) 5.571 11.407 ( 6.103 -0.443 -1.994) 6.436 11.617 ( -1.190 0.696 -11.284) 11.368 11.636 ( 0.827 3.803 -9.659) 10.414 11.769 ( 3.282 -0.953 -4.046) 5.296 11.854 ( 10.946 2.836 0.438) 11.316 12.350 ( 0.676 0.535 -5.724) 5.789 12.428 ( -7.420 -4.232 9.582) 12.837 13.057 ( -4.237 -2.635 0.485) 5.013 21.252 ( 2.210 0.771 4.232) 4.836 21.384 ( 7.033 5.930 0.021) 9.199 21.794 ( -0.976 -1.029 4.365) 4.590 21.845 ( 2.414 1.571 2.765) 3.993 22.133 ( 1.529 1.795 0.928) 2.534 22.223 ( 3.251 -0.735 -1.867) 3.820 22.268 ( 4.172 2.740 -2.985) 5.816 22.614 ( -2.394 -1.387 -2.683) 3.854 22.705 ( 0.803 -0.983 -2.821) 3.093 22.892 ( -3.889 -2.059 -6.893) 8.178 22.986 ( -0.014 -0.654 2.466) 2.551 23.041 ( 1.050 1.679 1.939) 2.772 23.275 ( -0.990 0.244 3.319) 3.472 23.352 ( 1.534 -3.962 3.141) 5.284 23.468 ( -4.393 -1.088 12.156) 12.972 23.544 ( -5.119 2.552 9.177) 10.814 23.716 ( 3.412 1.921 9.078) 9.887 23.909 ( -6.696 1.389 2.511) 7.285 24.048 ( 1.997 -6.221 3.438) 7.384 24.124 ( 1.964 1.943 4.383) 5.181 24.594 ( -1.108 -1.006 1.341) 2.010 24.614 ( -0.746 -0.172 1.857) 2.009 25.000 ( -2.822 -1.290 -1.019) 3.266 25.323 ( -0.610 0.345 -4.998) 5.047 25.341 ( -2.924 -0.637 -3.183) 4.368 25.411 ( 3.646 -0.339 -6.096) 7.112 25.761 ( 0.336 -1.957 0.137) 1.990 25.820 ( 0.616 1.157 2.126) 2.498 25.961 ( 0.861 1.983 2.222) 3.100 26.181 ( -1.394 -4.738 0.090) 4.940 26.268 ( 0.590 2.819 0.455) 2.916 26.391 ( -1.587 0.299 -2.710) 3.155 ======================= Grid point 57 (11/52) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 12.918 19.283 20.949) 31.266 1.783 ( 27.198 13.927 24.306) 39.045 2.878 ( 20.497 10.358 28.389) 36.515 3.248 ( -3.071 -2.803 9.463) 10.336 3.410 ( -4.578 -3.318 17.606) 18.492 3.592 ( -3.396 -1.755 14.410) 14.909 4.024 ( -9.443 5.989 4.214) 11.950 4.247 ( 18.890 -4.669 3.776) 19.822 4.365 ( -11.715 -0.441 4.725) 12.640 4.515 ( -7.752 0.111 6.651) 10.215 4.703 ( 0.806 -9.006 1.708) 9.202 4.840 ( 2.983 -2.659 0.424) 4.019 4.961 ( -7.611 -4.911 1.394) 9.164 4.996 ( -1.605 2.692 1.655) 3.545 5.277 ( -0.911 2.988 4.415) 5.408 5.438 ( -4.275 -9.966 1.072) 10.897 5.733 ( -0.182 -3.971 -0.054) 3.975 5.831 ( 1.218 -3.490 9.583) 10.272 5.916 ( -8.059 -3.177 0.734) 8.693 6.188 ( -0.666 5.575 -0.806) 5.672 6.342 ( -3.632 1.929 5.027) 6.495 6.409 ( -1.185 -2.173 7.783) 8.167 6.749 ( -0.151 -2.086 8.554) 8.806 6.810 ( -0.534 -0.460 27.599) 27.608 7.066 ( -4.684 1.840 -2.149) 5.472 7.377 ( -9.768 -5.941 7.380) 13.608 7.623 ( -3.156 4.753 -3.554) 6.722 7.740 ( 0.676 -0.222 -1.944) 2.070 7.804 ( -1.654 -6.262 -1.867) 6.741 8.071 ( -6.248 -4.500 -1.691) 7.884 8.220 ( -5.854 4.892 0.168) 7.631 8.563 ( 5.463 -1.216 7.095) 9.037 8.885 ( -6.720 -7.114 2.199) 10.030 8.969 ( 5.324 2.936 -10.231) 11.901 9.209 ( 7.739 -2.026 -6.873) 10.547 9.369 ( -3.421 -1.062 -3.962) 5.341 9.520 ( -5.252 -6.005 0.176) 7.980 9.800 ( -1.661 -0.245 -1.428) 2.204 10.058 ( 13.113 8.863 -10.139) 18.797 10.394 ( 4.136 -0.476 -8.617) 9.570 10.748 ( 2.710 8.676 -3.279) 9.663 10.788 ( 2.981 2.657 -6.546) 7.668 11.085 ( 0.540 5.422 -8.666) 10.236 11.250 ( -1.307 2.513 -2.483) 3.767 11.424 ( -2.219 -1.753 -1.939) 3.429 11.559 ( -3.035 1.846 -6.868) 7.733 11.768 ( 3.522 1.646 -4.836) 6.205 11.856 ( 8.264 0.985 0.306) 8.328 12.075 ( 9.783 1.613 0.612) 9.934 12.296 ( -2.793 -1.629 5.037) 5.985 12.396 ( 2.504 1.630 -6.237) 6.916 12.921 ( -6.616 -4.563 -0.192) 8.039 21.306 ( 2.435 1.194 4.681) 5.409 21.519 ( 3.348 4.165 3.830) 6.575 21.770 ( -1.205 -0.055 5.669) 5.796 21.922 ( 4.235 1.612 2.950) 5.407 22.173 ( 1.447 1.026 0.946) 2.011 22.276 ( 2.608 -0.107 -0.366) 2.635 22.367 ( 4.895 1.282 -3.407) 6.100 22.578 ( -0.558 -0.587 -2.699) 2.818 22.685 ( -0.561 -2.831 -3.193) 4.304 22.790 ( -3.721 -3.425 -2.924) 5.842 22.991 ( -0.664 0.943 1.589) 1.963 23.060 ( -0.522 -0.724 5.279) 5.354 23.198 ( -4.014 -2.600 3.088) 5.693 23.289 ( -1.429 -1.739 4.359) 4.906 23.481 ( -1.738 5.100 4.181) 6.820 23.551 ( 0.661 6.174 5.722) 8.443 23.766 ( 2.368 -1.602 1.830) 3.395 23.876 ( -0.434 2.884 6.991) 7.575 24.011 ( 0.848 -5.292 5.620) 7.766 24.155 ( -0.530 0.648 6.493) 6.547 24.556 ( -1.642 -1.802 1.479) 2.851 24.619 ( 1.542 1.247 1.246) 2.342 24.915 ( -4.834 -1.977 -0.205) 5.226 25.272 ( -3.217 -1.553 -2.821) 4.552 25.311 ( -0.525 0.220 -3.333) 3.381 25.445 ( 1.690 -2.270 -6.505) 7.094 25.763 ( 1.333 -1.335 -0.583) 1.974 25.837 ( 1.532 -0.348 -0.662) 1.705 26.014 ( 1.265 3.703 2.289) 4.534 26.120 ( -0.363 -4.064 -1.649) 4.401 26.289 ( -2.102 1.435 0.882) 2.693 26.362 ( -1.086 1.021 -2.131) 2.601 ======================= Grid point 58 (12/52) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 10.649 14.603 14.979) 23.474 2.364 ( 21.159 13.084 22.027) 33.228 2.675 ( -14.597 -7.346 11.766) 20.136 2.998 ( -16.460 -9.645 16.511) 25.230 3.563 ( 2.003 1.225 18.673) 18.820 3.741 ( 0.934 0.437 4.359) 4.479 4.004 ( 12.049 8.411 10.921) 18.308 4.136 ( -7.928 -0.017 3.547) 8.685 4.400 ( -0.259 -4.226 7.723) 8.808 4.560 ( 7.498 0.996 3.971) 8.543 4.666 ( 2.669 -9.087 -1.565) 9.599 4.854 ( 6.285 -2.183 2.081) 6.971 4.950 ( 0.659 2.767 12.010) 12.342 5.108 ( 7.973 8.618 -3.519) 12.257 5.254 ( 0.092 -2.640 3.023) 4.014 5.331 ( 0.271 1.594 8.247) 8.404 5.657 ( -5.937 -4.660 0.598) 7.571 5.760 ( -6.303 -5.146 6.344) 10.318 5.841 ( 1.720 -4.279 1.873) 4.977 5.963 ( -16.966 -7.434 9.288) 20.721 6.240 ( -1.229 0.342 4.973) 5.134 6.438 ( -1.506 5.862 8.259) 10.239 6.709 ( -0.631 -0.107 17.102) 17.114 6.825 ( 2.034 -0.657 8.255) 8.527 6.957 ( -7.537 1.175 4.984) 9.112 7.264 ( 1.558 -3.187 -2.124) 4.135 7.606 ( -0.392 -3.584 -1.188) 3.796 7.629 ( -2.295 -2.948 -2.323) 4.399 7.818 ( -5.016 6.078 -0.307) 7.887 7.971 ( 1.623 -3.982 -8.574) 9.592 8.156 ( -7.638 9.249 1.742) 12.121 8.691 ( 6.476 0.705 14.082) 15.516 8.784 ( -1.375 -1.711 -4.667) 5.157 9.037 ( 4.879 -4.510 1.365) 6.783 9.200 ( -0.063 -8.510 -4.705) 9.725 9.293 ( -3.960 -0.871 -2.121) 4.576 9.535 ( 6.593 0.436 -10.018) 12.000 9.802 ( 0.353 0.410 -6.538) 6.560 10.318 ( 6.072 5.668 -8.393) 11.808 10.422 ( 0.156 -2.359 -13.250) 13.459 10.824 ( -0.193 6.428 -5.692) 8.588 10.864 ( 2.859 -1.209 -5.892) 6.659 11.138 ( -2.299 5.028 -9.172) 10.710 11.245 ( -1.059 5.699 -2.094) 6.163 11.332 ( -7.002 0.934 -0.818) 7.112 11.583 ( 2.136 4.368 -0.047) 4.862 11.741 ( -2.731 -4.966 0.724) 5.714 12.013 ( 7.402 -1.394 4.295) 8.670 12.191 ( 1.872 1.341 -2.684) 3.536 12.276 ( 0.636 -0.830 1.104) 1.521 12.469 ( 2.934 1.316 -7.878) 8.509 12.774 ( -3.840 -3.798 -0.742) 5.452 21.347 ( 0.871 0.699 5.164) 5.283 21.594 ( 1.653 1.570 6.517) 6.905 21.750 ( -1.939 1.767 5.656) 6.235 22.002 ( 2.968 0.248 1.847) 3.504 22.200 ( 1.504 -0.979 4.087) 4.464 22.297 ( 0.501 -0.596 0.327) 0.844 22.468 ( 4.775 1.350 -5.008) 7.050 22.559 ( -0.939 -2.936 -3.099) 4.371 22.651 ( -0.342 -0.517 -4.682) 4.723 22.721 ( -0.817 -2.181 0.288) 2.347 22.924 ( -3.569 -2.201 4.293) 6.001 23.057 ( 1.423 -0.966 4.449) 4.770 23.169 ( -1.280 2.628 3.969) 4.929 23.246 ( -2.330 0.744 2.802) 3.720 23.518 ( -0.209 4.971 -2.733) 5.677 23.588 ( -2.192 2.631 0.607) 3.477 23.808 ( 2.487 1.306 4.692) 5.469 23.899 ( -0.417 1.462 7.777) 7.924 23.984 ( 1.665 -4.237 6.518) 7.950 24.126 ( -1.489 -0.880 8.977) 9.142 24.516 ( -0.660 -1.377 1.392) 2.067 24.692 ( 4.033 2.758 0.894) 4.967 24.804 ( -5.290 -2.083 0.274) 5.692 25.216 ( -1.341 -0.886 -2.519) 2.988 25.310 ( -0.273 0.600 -2.718) 2.797 25.438 ( 1.420 -3.490 -6.445) 7.466 25.766 ( 0.208 -0.550 0.526) 0.789 25.878 ( 3.526 -1.583 -3.939) 5.519 26.023 ( -0.718 -2.240 -1.930) 3.043 26.132 ( 1.807 3.378 1.521) 4.122 26.227 ( -4.266 -0.274 0.604) 4.317 26.374 ( -0.284 1.793 -0.654) 1.930 ======================= Grid point 63 (13/52) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 10.656 18.456 28.100) 35.267 1.571 ( 16.247 28.141 19.875) 38.091 2.671 ( 20.550 35.594 38.646) 56.416 3.346 ( -4.288 -7.427 11.926) 14.689 3.427 ( -3.480 -6.027 13.469) 15.160 3.622 ( -2.181 -3.778 6.495) 7.824 3.919 ( -4.563 -7.903 13.198) 16.046 4.248 ( 4.372 7.572 1.889) 8.945 4.521 ( -4.297 -7.443 5.333) 10.115 4.528 ( 0.664 1.150 6.852) 6.980 4.654 ( -7.876 -13.642 -3.612) 16.162 4.810 ( -0.851 -1.475 5.927) 6.167 4.939 ( -1.033 -1.790 -4.466) 4.921 5.174 ( -4.107 -7.113 -4.786) 9.506 5.265 ( -4.513 -7.817 4.620) 10.139 5.341 ( -0.766 -1.327 0.073) 1.534 5.716 ( -3.288 -5.695 -0.296) 6.583 5.783 ( -0.968 -1.677 14.382) 14.512 6.018 ( -5.887 -10.197 3.164) 12.192 6.267 ( 5.329 9.230 -3.375) 11.179 6.284 ( 3.835 6.643 4.278) 8.783 6.466 ( -1.051 -1.820 7.710) 7.991 6.679 ( -1.418 -2.456 6.155) 6.777 6.827 ( -1.441 -2.495 33.839) 33.962 7.130 ( 1.729 2.994 -5.712) 6.677 7.461 ( -7.673 -13.291 9.546) 18.073 7.711 ( -0.258 -0.446 -6.227) 6.249 7.736 ( -4.023 -6.968 2.272) 8.361 7.763 ( 3.833 6.639 0.588) 7.689 8.188 ( -2.252 -3.901 1.823) 4.860 8.289 ( 0.599 1.038 -0.960) 1.535 8.362 ( -1.362 -2.359 1.199) 2.976 8.865 ( 3.249 5.628 -11.728) 13.408 8.872 ( -12.593 -21.812 6.040) 25.900 9.216 ( 4.993 8.649 -6.709) 12.031 9.521 ( -2.105 -3.646 -2.765) 5.037 9.522 ( 0.530 0.917 -6.830) 6.912 9.908 ( 4.049 7.014 0.019) 8.099 9.922 ( 1.255 2.173 -8.218) 8.593 10.285 ( -1.247 -2.160 -11.423) 11.692 10.610 ( 3.747 6.490 0.491) 7.510 10.999 ( 2.645 4.582 -8.001) 9.592 11.027 ( 3.862 6.689 -7.078) 10.476 11.371 ( 4.325 7.491 -0.308) 8.655 11.398 ( 0.986 1.708 2.950) 3.548 11.548 ( -2.487 -4.307 -10.488) 11.607 11.761 ( 0.770 1.334 -1.679) 2.278 11.766 ( 2.309 4.000 -6.779) 8.202 11.983 ( 5.393 9.342 -1.018) 10.835 12.333 ( -1.921 -3.327 7.522) 8.446 12.373 ( 0.879 1.523 -6.740) 6.965 12.955 ( -4.178 -7.237 -0.157) 8.358 21.296 ( 1.847 3.199 4.577) 5.882 21.510 ( 2.910 5.040 3.430) 6.755 21.773 ( -0.273 -0.472 4.648) 4.680 21.903 ( 2.204 3.818 3.518) 5.640 22.173 ( 0.702 1.215 1.371) 1.962 22.235 ( 1.092 1.892 -2.596) 3.393 22.328 ( 1.807 3.130 -2.281) 4.274 22.589 ( -0.383 -0.664 -3.432) 3.516 22.670 ( -1.263 -2.187 -3.563) 4.367 22.803 ( -3.182 -5.512 -2.946) 7.013 23.002 ( 0.538 0.932 -0.519) 1.195 23.053 ( -0.826 -1.431 5.040) 5.303 23.243 ( -2.001 -3.467 3.092) 5.058 23.272 ( -0.757 -1.311 5.847) 6.040 23.527 ( 2.956 5.119 10.930) 12.426 23.581 ( 1.365 2.364 4.697) 5.432 23.751 ( 0.288 0.499 2.812) 2.871 23.927 ( -1.422 -2.464 6.117) 6.747 23.941 ( -0.340 -0.589 3.793) 3.853 24.155 ( 0.419 0.726 5.736) 5.797 24.565 ( -0.942 -1.632 1.065) 2.164 24.611 ( 0.151 0.261 1.807) 1.833 24.949 ( -2.191 -3.796 -0.179) 4.387 25.307 ( -0.719 -1.246 -3.265) 3.568 25.310 ( -1.529 -2.649 -2.528) 3.968 25.410 ( -0.079 -0.137 -7.779) 7.780 25.737 ( 0.011 0.018 -1.458) 1.458 25.824 ( -0.327 -0.567 0.454) 0.797 26.029 ( 2.499 4.328 3.116) 5.889 26.093 ( -2.174 -3.765 -2.400) 4.966 26.322 ( 1.419 2.458 1.251) 3.102 26.374 ( -1.192 -2.064 -2.166) 3.221 ======================= Grid point 64 (14/52) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 9.979 22.756 20.636) 32.300 2.160 ( 20.248 22.323 20.848) 36.646 2.914 ( -15.770 -4.103 13.226) 20.987 3.191 ( -10.160 -5.240 14.951) 18.821 3.441 ( 6.477 -3.984 11.223) 13.557 3.668 ( 1.674 5.510 17.340) 18.271 3.856 ( 14.371 -2.607 14.572) 20.632 4.207 ( -1.837 -2.996 5.103) 6.196 4.336 ( -3.715 -8.905 4.034) 10.458 4.461 ( -3.626 -1.794 -4.338) 5.932 4.685 ( -0.046 -2.047 -0.018) 2.047 4.809 ( -1.239 7.252 0.645) 7.385 4.919 ( 6.210 2.863 4.239) 8.046 5.063 ( 1.546 3.409 1.192) 3.928 5.183 ( 1.641 -10.195 -0.358) 10.333 5.369 ( 0.501 4.264 8.919) 9.899 5.646 ( -0.575 -4.045 0.535) 4.121 5.772 ( 0.863 -1.755 11.934) 12.093 5.813 ( -5.374 -6.940 0.545) 8.795 6.244 ( -15.693 -3.638 3.853) 16.563 6.329 ( -8.418 1.335 10.245) 13.327 6.468 ( 1.084 1.927 5.948) 6.346 6.649 ( 6.420 -2.831 4.016) 8.085 6.785 ( 1.065 -2.887 26.984) 27.159 7.066 ( -9.119 -11.553 3.112) 15.044 7.182 ( 0.009 -3.800 -3.458) 5.138 7.619 ( -4.551 -1.403 -0.983) 4.863 7.697 ( -1.168 -1.477 -7.063) 7.310 7.894 ( -0.718 6.034 -0.997) 6.158 8.012 ( -6.047 -1.254 -0.724) 6.217 8.333 ( -3.718 4.904 5.549) 8.286 8.454 ( 11.328 -4.793 2.216) 12.498 8.595 ( 3.556 -14.715 7.981) 17.114 8.949 ( 3.064 0.698 -6.785) 7.477 9.273 ( -7.321 -0.686 -5.639) 9.266 9.375 ( -0.959 -6.969 -3.833) 8.012 9.565 ( -1.845 14.998 -13.479) 20.249 9.908 ( -6.097 8.307 -5.196) 11.540 10.164 ( 11.122 1.923 -6.606) 13.078 10.328 ( 7.366 -3.934 -13.069) 15.509 10.763 ( 6.073 4.527 -2.166) 7.879 10.978 ( -5.523 6.762 -6.389) 10.819 11.164 ( 5.257 0.751 -7.305) 9.031 11.347 ( -7.211 1.495 0.319) 7.371 11.430 ( -3.408 1.154 1.833) 4.038 11.553 ( 3.909 0.714 1.061) 4.113 11.789 ( -2.431 0.802 -1.060) 2.770 11.864 ( 7.601 2.003 -0.523) 7.878 12.135 ( 4.394 2.061 -2.359) 5.396 12.318 ( -1.190 4.283 1.138) 4.588 12.421 ( 3.435 0.855 -7.511) 8.303 12.789 ( -5.031 -8.267 -1.231) 9.755 21.361 ( 1.015 3.955 5.316) 6.703 21.571 ( 1.372 0.246 6.475) 6.623 21.785 ( 0.374 2.224 6.059) 6.465 21.986 ( 2.182 4.481 2.711) 5.673 22.174 ( -0.020 -1.342 2.087) 2.481 22.269 ( 1.272 -0.795 -1.021) 1.814 22.404 ( 3.838 2.510 -3.340) 5.673 22.575 ( -2.188 -0.009 -4.176) 4.715 22.630 ( 0.378 -3.064 -5.557) 6.357 22.720 ( -1.019 -1.761 -0.513) 2.099 22.960 ( -4.248 -4.199 3.421) 6.883 23.003 ( 0.594 -3.937 1.809) 4.373 23.223 ( -1.150 3.002 4.938) 5.892 23.264 ( 0.598 -0.079 6.462) 6.490 23.596 ( -1.720 6.378 0.975) 6.677 23.665 ( 1.283 4.473 5.515) 7.216 23.752 ( 2.302 0.426 -0.667) 2.434 23.901 ( 1.298 -2.019 6.662) 7.081 23.941 ( -0.645 0.011 7.988) 8.014 24.130 ( -1.538 -3.260 8.055) 8.824 24.531 ( -1.525 -0.559 0.869) 1.842 24.649 ( 3.088 1.899 1.342) 3.866 24.856 ( -3.791 -3.702 0.717) 5.347 25.248 ( -2.808 -0.550 -2.548) 3.831 25.298 ( 0.988 -1.467 -2.658) 3.192 25.391 ( -0.123 -2.979 -7.687) 8.244 25.757 ( 1.064 0.752 -1.962) 2.356 25.814 ( 0.981 -1.533 -1.699) 2.490 26.022 ( -1.838 -2.842 -3.827) 5.109 26.125 ( 3.027 4.190 2.463) 5.726 26.303 ( -4.120 -0.487 0.115) 4.151 26.373 ( 1.527 0.522 0.806) 1.803 ======================= Grid point 65 (15/52) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -8.387 14.526 16.832) 23.762 2.573 ( -0.800 1.385 17.565) 17.638 2.648 ( -4.017 6.958 18.327) 20.011 2.930 ( -3.993 6.917 14.385) 16.454 3.531 ( 3.249 -5.628 21.258) 22.229 3.556 ( 9.019 -15.622 2.721) 18.243 4.060 ( 0.060 -0.104 10.116) 10.117 4.170 ( -0.643 1.114 3.512) 3.741 4.314 ( 2.925 -5.067 6.164) 8.499 4.444 ( 2.139 -3.705 -6.628) 7.888 4.632 ( 0.043 -0.075 -1.444) 1.447 4.857 ( 0.015 -0.027 0.534) 0.535 5.025 ( -1.404 2.431 14.467) 14.737 5.123 ( 3.660 -6.339 -4.537) 8.611 5.348 ( -1.821 3.154 10.554) 11.165 5.386 ( -4.631 8.022 0.876) 9.304 5.579 ( -0.296 0.513 7.883) 7.905 5.636 ( 2.980 -5.161 2.203) 6.353 5.774 ( 1.418 -2.456 1.691) 3.302 5.882 ( -1.262 2.186 12.472) 12.725 6.292 ( -3.757 6.507 7.711) 10.766 6.477 ( 2.525 -4.373 9.278) 10.563 6.716 ( 0.641 -1.110 20.136) 20.177 6.845 ( 7.050 -12.211 14.827) 20.461 6.885 ( -3.545 6.140 -3.422) 7.873 7.170 ( 1.694 -2.935 -5.747) 6.672 7.598 ( -0.074 0.128 -1.349) 1.357 7.605 ( -1.923 3.331 -4.113) 5.631 7.895 ( 1.667 -2.888 -9.363) 9.939 8.005 ( -4.023 6.968 2.198) 8.340 8.302 ( -2.415 4.182 9.572) 10.721 8.520 ( 7.265 -12.584 -4.472) 15.203 8.609 ( 3.863 -6.692 12.621) 14.799 9.032 ( -0.805 1.394 -1.933) 2.515 9.101 ( 1.235 -2.138 -5.449) 5.982 9.340 ( 1.853 -3.210 -8.726) 9.480 9.679 ( -8.924 15.457 -12.690) 21.900 9.874 ( -3.946 6.835 -9.015) 11.982 10.256 ( 4.736 -8.203 -13.276) 16.308 10.395 ( 2.463 -4.266 -6.513) 8.166 10.857 ( -2.269 3.930 -6.312) 7.775 10.978 ( -3.568 6.180 -4.210) 8.286 11.185 ( -0.394 0.683 -8.306) 8.343 11.304 ( 0.010 -0.017 -1.304) 1.304 11.375 ( -0.714 1.238 7.865) 7.994 11.619 ( 2.712 -4.698 5.949) 8.051 11.739 ( -4.728 8.189 -1.118) 9.521 11.959 ( 1.430 -2.477 1.162) 3.087 12.183 ( 1.110 -1.923 -4.164) 4.719 12.331 ( -2.842 4.923 -0.846) 5.747 12.477 ( 0.367 -0.635 -8.232) 8.264 12.678 ( 2.920 -5.057 -1.499) 6.028 21.393 ( -1.985 3.437 5.795) 7.024 21.580 ( 1.350 -2.339 6.965) 7.470 21.805 ( -1.805 3.126 7.386) 8.221 22.037 ( -1.681 2.911 0.993) 3.505 22.164 ( 1.299 -2.251 3.415) 4.292 22.268 ( 1.357 -2.351 -0.144) 2.718 22.494 ( 0.111 -0.192 -6.504) 6.508 22.506 ( 0.215 -0.372 -2.992) 3.023 22.628 ( 1.205 -2.086 -4.949) 5.504 22.715 ( -0.851 1.474 -0.670) 1.829 22.884 ( 0.634 -1.099 3.886) 4.088 22.983 ( 3.020 -5.231 1.816) 6.307 23.231 ( -1.738 3.010 7.651) 8.403 23.273 ( -0.601 1.041 5.196) 5.333 23.611 ( -2.873 4.976 -4.260) 7.153 23.677 ( -2.870 4.971 1.239) 5.872 23.827 ( 0.681 -1.179 3.752) 3.991 23.911 ( 1.156 -2.001 6.964) 7.337 23.912 ( -0.165 0.286 8.659) 8.665 24.085 ( 1.697 -2.939 9.962) 10.524 24.513 ( -0.508 0.880 0.722) 1.247 24.725 ( 0.452 -0.783 1.642) 1.875 24.768 ( 0.071 -0.122 0.709) 0.723 25.218 ( -0.663 1.149 -2.527) 2.854 25.303 ( 0.737 -1.277 -2.073) 2.544 25.368 ( 1.755 -3.040 -8.158) 8.881 25.768 ( -0.349 0.605 -0.551) 0.890 25.825 ( 1.623 -2.811 -4.127) 5.251 25.984 ( 0.678 -1.174 -4.383) 4.588 26.213 ( -0.328 0.568 1.095) 1.277 26.223 ( -1.691 2.929 1.846) 3.853 26.390 ( 0.014 -0.024 1.066) 1.066 ======================= Grid point 72 (16/52) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 12.125 21.002 17.610) 29.970 2.547 ( 3.592 6.222 22.428) 23.550 2.786 ( -1.280 -2.217 11.890) 12.162 3.141 ( -0.928 -1.607 13.282) 13.411 3.268 ( -3.420 -5.924 11.240) 13.158 3.432 ( -8.169 -14.149 16.819) 23.448 4.048 ( 1.842 3.190 5.128) 6.314 4.184 ( -1.309 -2.268 2.099) 3.356 4.210 ( 0.282 0.488 5.900) 5.927 4.510 ( 2.488 4.309 -4.494) 6.705 4.616 ( 0.083 0.144 1.443) 1.453 4.788 ( -2.318 -4.015 -6.438) 7.934 5.034 ( 2.058 3.565 3.710) 5.541 5.070 ( -0.945 -1.636 9.054) 9.249 5.320 ( 8.624 14.938 6.569) 18.457 5.453 ( 4.120 7.136 6.457) 10.468 5.564 ( -1.949 -3.375 2.825) 4.813 5.697 ( -2.694 -4.666 -0.176) 5.391 5.745 ( -0.931 -1.613 11.922) 12.067 6.104 ( -7.739 -13.404 9.945) 18.398 6.213 ( -6.725 -11.649 8.802) 16.075 6.443 ( 1.765 3.057 9.638) 10.264 6.586 ( -1.006 -1.743 3.842) 4.337 6.753 ( 0.175 0.303 32.490) 32.492 7.001 ( 2.656 4.600 -4.317) 6.845 7.131 ( -1.814 -3.142 -5.289) 6.414 7.606 ( -1.604 -2.779 -1.788) 3.673 7.653 ( -0.543 -0.940 -9.486) 9.548 7.907 ( -0.847 -1.468 -4.106) 4.442 7.974 ( -1.066 -1.846 -3.193) 3.839 8.364 ( -1.547 -2.680 17.372) 17.646 8.467 ( 1.666 2.886 4.061) 5.253 8.482 ( 1.799 3.116 5.003) 6.163 9.007 ( 2.777 4.810 -7.841) 9.609 9.138 ( -4.666 -8.083 -4.369) 10.305 9.259 ( -2.876 -4.982 -13.071) 14.280 9.887 ( 8.804 15.249 -13.429) 22.144 10.034 ( 1.879 3.255 -4.419) 5.802 10.184 ( -1.474 -2.554 -8.713) 9.199 10.211 ( -3.250 -5.629 -16.722) 17.941 10.934 ( 6.169 10.685 -2.393) 12.568 11.054 ( 0.688 1.192 -7.489) 7.615 11.167 ( -1.874 -3.247 -5.371) 6.550 11.306 ( -0.813 -1.407 1.707) 2.357 11.411 ( -0.157 -0.272 8.479) 8.485 11.509 ( -2.748 -4.759 9.077) 10.611 11.900 ( 2.693 4.665 -1.281) 5.537 11.904 ( 1.667 2.887 -0.130) 3.337 12.143 ( -0.361 -0.626 -4.535) 4.592 12.429 ( 0.526 0.911 -9.153) 9.213 12.435 ( 3.236 5.604 -1.448) 6.631 12.615 ( -4.712 -8.162 -2.120) 9.660 21.446 ( 2.244 3.887 6.183) 7.640 21.539 ( -1.506 -2.609 6.865) 7.497 21.843 ( 1.366 2.365 8.881) 9.292 22.083 ( 2.530 4.382 1.495) 5.277 22.134 ( -0.995 -1.724 0.753) 2.128 22.230 ( -1.668 -2.890 0.123) 3.339 22.469 ( 2.176 3.769 -4.796) 6.476 22.543 ( -1.805 -3.127 -6.179) 7.157 22.584 ( -0.618 -1.070 -2.961) 3.209 22.742 ( 1.680 2.909 -1.890) 3.855 22.887 ( -1.513 -2.620 3.422) 4.568 22.903 ( -2.520 -4.365 1.261) 5.195 23.272 ( 0.453 0.785 8.453) 8.502 23.274 ( 0.671 1.161 7.029) 7.156 23.697 ( 1.560 2.703 -5.034) 5.923 23.740 ( 1.222 2.117 -0.238) 2.456 23.769 ( 0.677 1.172 1.676) 2.154 23.886 ( 1.142 1.977 8.816) 9.107 23.938 ( -0.687 -1.190 10.770) 10.857 24.039 ( -2.672 -4.628 10.152) 11.472 24.529 ( 0.065 0.113 0.136) 0.189 24.700 ( 1.764 3.056 1.757) 3.941 24.778 ( -2.198 -3.807 1.570) 4.668 25.248 ( 0.108 0.186 -2.154) 2.165 25.271 ( -0.331 -0.574 -2.397) 2.487 25.335 ( -1.202 -2.083 -8.689) 9.015 25.781 ( 0.577 1.000 -3.191) 3.394 25.790 ( -0.330 -0.571 -1.981) 2.088 25.973 ( -0.929 -1.609 -5.351) 5.664 26.206 ( 2.031 3.517 1.925) 4.494 26.271 ( -1.393 -2.412 0.617) 2.853 26.385 ( 0.236 0.409 2.348) 2.395 ======================= Grid point 76 (17/52) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -9.970 17.268 20.620) 28.684 1.637 ( -14.679 25.424 27.324) 40.106 2.722 ( -20.332 35.215 36.459) 54.614 3.354 ( 2.584 -4.476 10.934) 12.094 3.434 ( 4.819 -8.346 16.448) 19.063 3.676 ( 7.100 -12.297 2.744) 14.462 3.797 ( 1.047 -1.813 12.089) 12.269 4.322 ( -7.252 12.560 2.217) 14.672 4.405 ( 6.921 -11.988 1.444) 13.918 4.537 ( 1.433 -2.483 7.684) 8.201 4.801 ( 0.031 -0.053 13.241) 13.241 4.824 ( 2.256 -3.908 2.008) 4.939 4.966 ( 1.827 -3.164 -7.608) 8.440 5.088 ( 3.277 -5.676 3.660) 7.506 5.220 ( 0.259 -0.448 -2.119) 2.181 5.554 ( 3.947 -6.836 7.888) 11.159 5.756 ( 1.964 -3.402 -1.924) 4.374 5.841 ( 3.331 -5.770 6.464) 9.283 6.037 ( -2.432 4.212 0.906) 4.948 6.063 ( -0.962 1.667 0.517) 1.993 6.334 ( 2.942 -5.095 8.264) 10.144 6.454 ( 0.883 -1.530 5.811) 6.073 6.724 ( -1.746 3.023 3.062) 4.644 6.804 ( 1.381 -2.391 29.140) 29.271 7.064 ( 2.013 -3.486 -0.629) 4.074 7.435 ( 5.580 -9.665 9.620) 14.735 7.605 ( -0.345 0.597 -3.472) 3.539 7.689 ( -3.703 6.413 -4.097) 8.463 7.929 ( 7.176 -12.430 -0.054) 14.353 8.065 ( -0.012 0.021 -0.725) 0.725 8.295 ( 2.551 -4.418 -2.960) 5.898 8.449 ( 2.810 -4.867 7.387) 9.281 8.893 ( -5.798 10.042 -13.314) 17.656 8.907 ( 9.417 -16.311 5.145) 19.524 9.242 ( -4.163 7.210 -0.466) 8.338 9.538 ( -0.950 1.645 -9.326) 9.517 9.641 ( -6.181 10.706 -1.524) 12.455 9.777 ( -0.228 0.395 -9.279) 9.290 10.013 ( 0.119 -0.206 1.523) 1.541 10.285 ( 1.343 -2.327 -2.596) 3.736 10.533 ( -3.840 6.651 -3.420) 8.408 10.844 ( -0.594 1.029 -12.106) 12.164 11.054 ( -3.083 5.341 -9.505) 11.331 11.247 ( -0.305 0.528 -3.815) 3.864 11.441 ( 0.186 -0.322 1.986) 2.021 11.511 ( 3.656 -6.332 -11.561) 13.679 11.737 ( -5.187 8.985 -6.832) 12.422 11.838 ( -2.227 3.858 -0.598) 4.495 12.076 ( -5.590 9.682 2.390) 11.433 12.334 ( 1.438 -2.491 7.135) 7.692 12.366 ( -0.645 1.118 -7.138) 7.254 12.967 ( 3.706 -6.419 0.279) 7.417 21.304 ( -1.879 3.255 4.591) 5.934 21.460 ( -2.206 3.821 2.058) 4.869 21.769 ( 1.016 -1.761 5.946) 6.284 21.913 ( -2.866 4.964 2.947) 6.446 22.157 ( -1.048 1.815 0.347) 2.124 22.277 ( -1.237 2.142 -0.292) 2.491 22.353 ( -2.806 4.861 -3.924) 6.849 22.588 ( 0.333 -0.577 -1.866) 1.981 22.730 ( -0.500 0.865 -0.884) 1.334 22.810 ( 2.962 -5.130 -5.650) 8.187 23.009 ( -0.577 1.000 5.813) 5.926 23.019 ( 1.003 -1.737 0.127) 2.009 23.290 ( -0.094 0.162 2.543) 2.550 23.335 ( 3.884 -6.728 6.917) 10.401 23.352 ( 3.422 -5.927 3.049) 7.492 23.488 ( -3.058 5.297 6.658) 9.041 23.799 ( -2.628 4.553 8.690) 10.156 23.829 ( 1.432 -2.480 0.463) 2.900 24.107 ( 0.068 -0.117 4.699) 4.700 24.112 ( 0.192 -0.332 6.951) 6.962 24.590 ( 0.783 -1.356 1.609) 2.245 24.594 ( -0.312 0.540 1.412) 1.543 24.934 ( 2.605 -4.512 -0.571) 5.241 25.297 ( 0.798 -1.383 -3.770) 4.094 25.298 ( 1.310 -2.268 -3.103) 4.060 25.470 ( -1.233 2.136 -5.771) 6.276 25.790 ( -0.648 1.122 -1.588) 2.050 25.830 ( -0.626 1.084 2.701) 2.977 25.969 ( -0.965 1.671 1.093) 2.218 26.182 ( 1.036 -1.795 1.086) 2.340 26.268 ( -0.714 1.237 -1.213) 1.873 26.341 ( 1.817 -3.148 -2.757) 4.562 ======================= Grid point 84 (18/52) ======================= q-point: (-0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -16.189 18.443 12.738) 27.649 2.163 ( -17.773 19.334 23.824) 35.458 2.888 ( 15.974 -5.164 11.351) 20.265 3.186 ( 11.724 -9.922 11.238) 19.031 3.478 ( -1.217 -6.596 14.419) 15.903 3.643 ( -7.711 -0.528 12.448) 14.652 3.774 ( -14.962 9.494 14.773) 23.070 4.173 ( 6.821 -6.360 1.918) 9.521 4.352 ( -2.224 -6.584 6.668) 9.631 4.686 ( 5.089 10.766 7.014) 13.821 4.791 ( -0.069 1.824 7.906) 8.115 4.900 ( -8.177 11.705 4.128) 14.863 4.938 ( -0.612 0.836 -3.894) 4.030 5.021 ( 0.291 4.388 6.720) 8.031 5.215 ( -1.863 -2.725 1.009) 3.451 5.377 ( 6.009 -4.201 9.140) 11.717 5.715 ( 1.998 -3.654 -0.872) 4.255 5.792 ( -0.573 -1.124 3.567) 3.783 5.963 ( 7.561 0.399 6.177) 9.772 6.081 ( 8.474 -7.879 5.751) 12.921 6.209 ( 0.117 -4.752 6.062) 7.703 6.354 ( 2.582 -8.232 4.275) 9.629 6.686 ( 1.483 -5.610 7.071) 9.147 6.800 ( -2.054 -2.105 24.129) 24.307 6.998 ( 4.258 0.658 0.120) 4.310 7.259 ( 1.237 -5.670 1.709) 6.050 7.660 ( 1.371 3.318 -4.261) 5.572 7.680 ( 2.332 -5.759 -4.867) 7.893 7.793 ( 1.297 -0.047 -5.687) 5.833 8.007 ( 2.079 -5.705 -2.183) 6.453 8.143 ( 9.658 5.010 0.194) 10.882 8.486 ( -12.995 -11.665 4.871) 18.129 8.682 ( 1.962 -9.661 8.395) 12.948 9.070 ( -5.246 6.524 -3.981) 9.270 9.372 ( 2.792 3.707 -2.569) 5.304 9.445 ( 2.729 0.148 0.839) 2.859 9.681 ( 10.891 19.568 -9.610) 24.370 9.891 ( 2.733 9.581 -4.420) 10.899 10.148 ( -12.855 2.157 -9.116) 15.906 10.337 ( -7.891 -6.058 -6.289) 11.769 10.701 ( -7.153 2.529 -7.664) 10.784 10.851 ( -2.415 1.216 -5.772) 6.374 11.079 ( 0.435 -1.895 -12.933) 13.079 11.191 ( 3.258 -4.219 -7.378) 9.103 11.356 ( 6.427 -4.315 -2.168) 8.040 11.467 ( -4.337 -5.631 -0.712) 7.144 11.866 ( 2.721 8.196 0.762) 8.669 11.980 ( -7.882 4.917 1.840) 9.471 12.151 ( -1.212 -0.417 2.811) 3.090 12.352 ( 2.039 5.774 -2.380) 6.570 12.428 ( -4.641 2.513 -5.230) 7.430 12.820 ( 4.770 -6.327 -0.028) 7.924 21.364 ( -0.339 4.068 5.021) 6.471 21.534 ( -3.785 0.424 4.633) 5.997 21.731 ( 0.919 -2.468 5.522) 6.118 22.022 ( -2.151 6.565 3.367) 7.685 22.198 ( -1.725 1.391 2.070) 3.033 22.302 ( 0.015 0.218 0.697) 0.730 22.444 ( -2.969 3.690 -4.200) 6.330 22.606 ( -0.639 3.058 -0.974) 3.272 22.680 ( 4.865 -2.401 -3.939) 6.704 22.757 ( -0.063 -0.455 0.505) 0.683 22.947 ( 3.359 -3.180 2.495) 5.255 23.028 ( -1.563 -4.131 6.801) 8.110 23.156 ( 3.429 -1.992 1.529) 4.250 23.245 ( 2.246 -4.611 2.734) 5.812 23.411 ( -5.974 1.716 -2.664) 6.762 23.590 ( -0.863 4.636 3.068) 5.625 23.783 ( -0.280 -2.209 0.393) 2.261 23.870 ( -1.213 0.372 6.827) 6.944 24.064 ( 2.980 1.873 8.380) 9.089 24.118 ( -0.588 -2.283 8.452) 8.774 24.559 ( 2.108 1.103 1.573) 2.852 24.636 ( -3.442 0.979 0.947) 3.701 24.832 ( 3.520 -4.758 0.003) 5.919 25.245 ( 2.360 -0.629 -2.721) 3.656 25.284 ( -0.835 -1.890 -3.113) 3.736 25.492 ( 0.775 1.665 -4.738) 5.081 25.795 ( 1.534 1.690 -0.408) 2.318 25.869 ( -2.855 0.762 -0.476) 2.993 26.028 ( -2.355 2.686 0.317) 3.586 26.133 ( 2.183 -0.699 0.204) 2.301 26.245 ( 3.678 -1.723 -1.014) 4.186 26.318 ( -2.706 -2.589 -1.899) 4.199 ======================= Grid point 90 (19/52) ======================= q-point: (-0.43 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 5.144 8.909 10.103) 14.419 2.436 ( -2.372 -4.109 13.451) 14.263 2.714 ( 5.721 9.908 21.677) 24.511 2.913 ( 1.889 3.272 11.306) 11.920 3.511 ( -4.180 -7.240 21.232) 22.819 3.519 ( -9.093 -15.749 3.534) 18.526 4.046 ( -0.421 -0.729 -0.110) 0.849 4.234 ( 4.825 8.357 14.785) 17.656 4.280 ( -4.490 -7.776 1.928) 9.184 4.706 ( 4.304 7.454 4.224) 9.588 4.798 ( 1.403 2.430 7.298) 7.819 4.941 ( -0.456 -0.790 -0.497) 1.038 4.992 ( 4.148 7.184 11.392) 14.092 5.129 ( 1.030 1.784 1.665) 2.649 5.247 ( -1.109 -1.921 6.419) 6.791 5.473 ( 4.286 7.424 2.587) 8.954 5.529 ( -1.452 -2.515 9.585) 10.015 5.700 ( -1.455 -2.519 5.116) 5.885 5.871 ( -0.229 -0.397 -2.259) 2.305 5.905 ( 0.924 1.600 10.436) 10.598 6.218 ( 0.272 0.472 7.232) 7.252 6.286 ( -6.131 -10.619 5.822) 13.574 6.638 ( -4.032 -6.983 7.492) 11.007 6.806 ( -2.869 -4.969 25.459) 26.097 6.952 ( 5.056 8.756 -1.208) 10.183 7.265 ( -1.231 -2.132 -3.604) 4.365 7.612 ( -2.396 -4.150 -5.262) 7.117 7.666 ( -0.444 -0.769 -2.025) 2.211 7.737 ( 2.232 3.866 -4.770) 6.534 7.958 ( -0.038 -0.066 -5.118) 5.118 8.114 ( 3.046 5.275 -0.922) 6.161 8.544 ( -7.899 -13.681 -4.276) 16.366 8.628 ( -5.705 -9.881 16.263) 19.867 9.207 ( 3.769 6.528 2.378) 7.904 9.250 ( 1.484 2.570 -0.302) 2.983 9.460 ( 2.017 3.494 -2.932) 4.987 9.701 ( 9.426 16.327 -11.500) 22.083 9.928 ( 6.444 11.162 -4.234) 13.566 10.264 ( -2.532 -4.386 -9.072) 10.390 10.393 ( -3.033 -5.253 -9.953) 11.655 10.773 ( -0.937 -1.622 -11.081) 11.238 10.912 ( -0.408 -0.707 -8.652) 8.690 11.060 ( -2.606 -4.514 -10.303) 11.547 11.178 ( -2.349 -4.068 -6.002) 7.621 11.199 ( -0.292 -0.506 2.352) 2.423 11.483 ( -4.435 -7.682 -0.707) 8.898 11.869 ( 5.459 9.455 3.482) 11.460 12.077 ( -0.153 -0.265 7.312) 7.318 12.181 ( -0.872 -1.511 -3.565) 3.969 12.354 ( 2.909 5.038 -4.094) 7.114 12.497 ( 0.746 1.292 -5.123) 5.336 12.729 ( -1.676 -2.903 0.110) 3.354 21.388 ( 2.024 3.506 5.175) 6.570 21.579 ( -1.337 -2.315 6.714) 7.226 21.702 ( -0.992 -1.718 4.095) 4.551 22.081 ( 2.826 4.895 2.318) 6.109 22.232 ( 0.545 0.944 5.582) 5.688 22.292 ( -0.632 -1.095 0.894) 1.548 22.514 ( 0.463 0.801 -6.211) 6.279 22.582 ( 0.440 0.763 -2.642) 2.785 22.660 ( 1.277 2.211 -2.546) 3.606 22.749 ( 1.375 2.382 1.710) 3.239 22.880 ( -1.331 -2.305 5.780) 6.363 23.010 ( -3.483 -6.033 4.018) 8.042 23.146 ( -0.072 -0.125 2.890) 2.893 23.186 ( -1.544 -2.675 -0.013) 3.089 23.509 ( 0.154 0.267 -5.941) 5.949 23.579 ( 2.039 3.531 0.571) 4.117 23.812 ( -0.545 -0.945 4.909) 5.029 23.851 ( -2.210 -3.828 4.779) 6.510 24.052 ( 1.607 2.783 8.732) 9.305 24.106 ( -0.492 -0.853 10.235) 10.282 24.546 ( 1.577 2.731 1.770) 3.616 24.720 ( -0.907 -1.571 1.634) 2.442 24.730 ( -0.837 -1.450 -0.737) 1.829 25.219 ( 0.482 0.835 -2.501) 2.681 25.283 ( -1.053 -1.823 -2.988) 3.655 25.490 ( 1.070 1.853 -4.314) 4.815 25.788 ( 1.138 1.971 0.167) 2.282 25.911 ( -0.761 -1.319 -2.235) 2.705 26.054 ( 1.424 2.466 -0.556) 2.901 26.140 ( 0.810 1.402 0.198) 1.631 26.171 ( -1.066 -1.846 -0.073) 2.132 26.331 ( -1.703 -2.950 -1.679) 3.797 ======================= Grid point 92 (20/52) ======================= q-point: (-0.29 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -12.867 22.286 8.777) 27.190 2.374 ( 2.599 -4.501 14.721) 15.611 2.881 ( -4.214 7.299 19.061) 20.841 2.982 ( 4.091 -7.086 3.549) 8.919 3.314 ( 3.374 -5.844 15.706) 17.094 3.378 ( 7.631 -13.218 16.493) 22.472 4.095 ( 0.835 -1.447 0.058) 1.672 4.112 ( -2.964 5.133 1.287) 6.065 4.335 ( -2.682 4.645 15.402) 16.309 4.798 ( -2.246 3.890 0.812) 4.564 4.829 ( -3.955 6.850 10.703) 13.309 4.912 ( 1.256 -2.176 -1.079) 2.734 5.102 ( -2.841 4.920 14.179) 15.275 5.144 ( -1.512 2.619 8.278) 8.813 5.231 ( 0.181 -0.313 3.141) 3.162 5.422 ( -5.571 9.648 6.436) 12.867 5.618 ( 3.425 -5.932 4.523) 8.208 5.699 ( 4.040 -6.997 2.902) 8.585 5.839 ( 4.839 -8.381 0.956) 9.725 5.985 ( 1.663 -2.880 6.924) 7.681 6.084 ( 3.587 -6.212 7.109) 10.099 6.277 ( -2.629 4.554 6.385) 8.271 6.512 ( 5.688 -9.852 3.660) 11.950 6.759 ( 0.725 -1.256 32.306) 32.339 7.106 ( -3.325 5.759 -3.338) 7.441 7.194 ( 0.030 -0.052 -2.788) 2.789 7.553 ( 1.242 -2.151 -7.915) 8.296 7.629 ( 4.052 -7.019 -2.450) 8.467 7.847 ( -1.852 3.207 -9.013) 9.745 7.951 ( 0.760 -1.317 -3.206) 3.548 8.267 ( -1.610 2.789 -2.353) 3.988 8.320 ( -0.472 0.818 5.560) 5.639 8.493 ( 5.220 -9.042 10.242) 14.626 9.222 ( -4.663 8.076 -0.108) 9.326 9.355 ( 2.399 -4.154 3.960) 6.220 9.420 ( 1.215 -2.105 -5.124) 5.671 10.027 ( -5.263 9.116 -6.696) 12.476 10.057 ( -4.234 7.334 -15.692) 17.831 10.188 ( -0.439 0.761 -7.801) 7.850 10.282 ( -0.177 0.306 2.923) 2.944 10.750 ( -2.687 4.654 -15.766) 16.656 10.893 ( 0.770 -1.334 -6.851) 7.022 10.952 ( 4.959 -8.590 -15.504) 18.405 11.147 ( -2.496 4.324 -3.542) 6.122 11.315 ( 2.891 -5.007 -2.011) 6.121 11.316 ( 2.563 -4.439 2.911) 5.895 12.014 ( -1.822 3.155 5.191) 6.342 12.043 ( -1.339 2.319 5.307) 5.944 12.150 ( -0.562 0.973 -2.972) 3.177 12.409 ( -0.392 0.679 -10.619) 10.648 12.525 ( -3.325 5.760 0.668) 6.684 12.684 ( 3.763 -6.518 0.350) 7.534 21.450 ( -2.132 3.694 5.791) 7.192 21.529 ( 0.564 -0.977 5.907) 6.013 21.686 ( 0.894 -1.549 3.581) 4.003 22.157 ( -3.322 5.753 3.628) 7.569 22.222 ( -0.700 1.212 3.524) 3.792 22.279 ( 1.564 -2.709 2.630) 4.087 22.513 ( -1.819 3.150 -5.401) 6.512 22.593 ( 2.344 -4.060 -4.782) 6.697 22.708 ( -3.225 5.586 -0.012) 6.450 22.776 ( -0.936 1.622 4.355) 4.741 22.885 ( 2.011 -3.484 -0.254) 4.031 22.887 ( 4.055 -7.023 6.801) 10.584 23.140 ( -0.111 0.192 0.422) 0.477 23.165 ( 1.467 -2.541 1.552) 3.320 23.505 ( -2.881 4.989 -6.539) 8.715 23.700 ( -2.441 4.228 3.329) 5.909 23.716 ( 1.014 -1.757 0.717) 2.152 23.825 ( 2.746 -4.756 4.415) 7.046 24.089 ( -0.199 0.344 10.809) 10.816 24.090 ( 0.084 -0.145 9.820) 9.821 24.596 ( -1.040 1.802 2.392) 3.170 24.663 ( -1.194 2.067 0.388) 2.419 24.736 ( 2.619 -4.536 0.094) 5.238 25.239 ( 0.170 -0.295 -2.693) 2.715 25.253 ( 0.464 -0.803 -2.948) 3.091 25.508 ( -0.119 0.205 -3.023) 3.033 25.831 ( -0.764 1.323 -1.307) 2.011 25.868 ( 0.126 -0.218 -0.284) 0.379 26.104 ( 0.598 -1.036 1.431) 1.866 26.109 ( -2.472 4.282 -0.953) 5.035 26.198 ( 1.983 -3.435 -1.102) 4.117 26.281 ( 0.425 -0.737 -2.462) 2.605 ======================= Grid point 110 (21/52) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 -0.000 38.906) 38.906 1.640 ( 0.000 0.000 38.906) 38.906 3.175 ( 0.000 0.000 67.167) 67.167 3.680 ( 0.000 -0.000 4.264) 4.264 3.752 ( 0.000 -0.000 2.594) 2.594 3.752 ( 0.000 0.000 2.594) 2.594 4.200 ( 0.000 0.000 4.810) 4.810 4.200 ( -0.000 0.000 4.810) 4.810 4.575 ( 0.000 0.000 -11.905) 11.905 4.894 ( 0.000 0.000 -8.569) 8.569 4.894 ( 0.000 0.000 -8.569) 8.569 4.958 ( 0.000 -0.000 1.930) 1.930 4.958 ( 0.000 0.000 1.930) 1.930 5.239 ( 0.000 -0.000 16.836) 16.836 5.563 ( 0.000 -0.000 11.811) 11.811 5.563 ( 0.000 0.000 11.811) 11.811 5.642 ( 0.000 -0.000 -6.251) 6.251 6.327 ( 0.000 0.000 25.653) 25.653 6.341 ( 0.000 -0.000 6.718) 6.718 6.341 ( 0.000 0.000 6.718) 6.718 6.367 ( 0.000 -0.000 5.751) 5.751 6.586 ( -0.000 0.000 11.887) 11.887 6.586 ( -0.000 0.000 11.887) 11.887 7.259 ( 0.000 0.000 0.872) 0.872 7.439 ( -0.000 -0.000 7.395) 7.395 7.439 ( 0.000 0.000 7.395) 7.395 7.956 ( 0.000 -0.000 -10.568) 10.568 8.113 ( 0.000 0.000 40.761) 40.761 8.129 ( 0.000 -0.000 -23.991) 23.991 8.140 ( 0.000 -0.000 7.237) 7.237 8.140 ( 0.000 0.000 7.237) 7.237 8.356 ( 0.000 0.000 -5.875) 5.875 8.356 ( -0.000 0.000 -5.875) 5.875 8.881 ( 0.000 0.000 -3.284) 3.284 8.881 ( 0.000 0.000 -3.284) 3.284 9.567 ( 0.000 0.000 7.185) 7.185 9.747 ( 0.000 0.000 3.637) 3.637 10.097 ( 0.000 -0.000 -9.102) 9.102 10.097 ( 0.000 0.000 -9.102) 9.102 10.396 ( 0.000 0.000 5.143) 5.143 10.424 ( 0.000 0.000 2.593) 2.593 10.438 ( 0.000 -0.000 -8.037) 8.037 10.438 ( 0.000 0.000 -8.037) 8.037 11.188 ( 0.000 -0.000 -4.499) 4.499 11.188 ( 0.000 0.000 -4.499) 4.499 11.323 ( 0.000 0.000 -19.610) 19.610 11.415 ( 0.000 -0.000 -9.273) 9.273 11.641 ( 0.000 -0.000 -5.805) 5.805 11.641 ( 0.000 0.000 -5.805) 5.805 12.096 ( 0.000 0.000 -18.280) 18.280 12.678 ( 0.000 0.000 6.559) 6.559 13.121 ( 0.000 -0.000 -0.120) 0.120 21.340 ( 0.000 0.000 6.230) 6.230 21.340 ( 0.000 0.000 6.230) 6.230 21.845 ( 0.000 0.000 -0.795) 0.795 21.845 ( 0.000 0.000 -0.795) 0.795 22.176 ( 0.000 -0.000 0.719) 0.719 22.176 ( 0.000 0.000 0.719) 0.719 22.199 ( 0.000 0.000 5.684) 5.684 22.612 ( 0.000 -0.000 -3.137) 3.137 22.612 ( 0.000 0.000 -3.137) 3.137 22.748 ( 0.000 0.000 -8.481) 8.481 23.071 ( 0.000 -0.000 4.615) 4.615 23.071 ( 0.000 0.000 4.615) 4.615 23.393 ( 0.000 0.000 3.387) 3.387 23.393 ( 0.000 0.000 3.387) 3.387 23.784 ( 0.000 -0.000 9.896) 9.896 23.784 ( 0.000 0.000 9.896) 9.896 23.933 ( 0.000 -0.000 14.449) 14.449 24.059 ( -0.000 -0.000 0.719) 0.719 24.059 ( 0.000 0.000 0.719) 0.719 24.191 ( 0.000 -0.000 7.131) 7.131 24.669 ( -0.000 0.000 3.423) 3.423 24.669 ( 0.000 0.000 3.423) 3.423 24.979 ( 0.000 0.000 -3.735) 3.735 25.145 ( 0.000 0.000 -9.231) 9.231 25.273 ( -0.000 -0.000 -6.338) 6.338 25.273 ( 0.000 0.000 -6.338) 6.338 25.852 ( 0.000 0.000 4.227) 4.227 25.852 ( 0.000 0.000 4.227) 4.227 26.012 ( 0.000 -0.000 4.090) 4.090 26.231 ( 0.000 0.000 -1.138) 1.138 26.231 ( 0.000 0.000 -1.138) 1.138 26.365 ( 0.000 -0.000 -2.013) 2.013 ======================= Grid point 111 (22/52) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.982 10.080 35.030) 36.465 1.869 ( 16.576 3.822 33.540) 37.608 3.362 ( 12.218 7.663 53.789) 55.689 3.604 ( -6.579 -4.187 6.722) 10.295 3.761 ( 4.138 -6.784 3.752) 8.788 3.812 ( 3.581 5.839 6.829) 9.672 4.075 ( -7.672 8.684 1.776) 11.723 4.305 ( 6.802 -2.207 8.322) 10.973 4.593 ( -1.845 -0.570 -8.403) 8.622 4.753 ( -8.591 -5.617 0.873) 10.301 4.806 ( -5.933 -2.459 -0.230) 6.426 4.852 ( -3.529 -3.246 -6.138) 7.789 4.977 ( 2.127 -8.684 1.751) 9.110 5.270 ( -0.465 -0.684 12.372) 12.400 5.458 ( -5.867 3.830 12.734) 14.535 5.546 ( 3.001 -5.111 7.344) 9.437 5.838 ( 1.589 6.391 -1.837) 6.837 6.014 ( -7.486 -4.522 3.305) 9.350 6.215 ( -11.705 -0.060 10.541) 15.752 6.319 ( -0.281 -1.832 25.325) 25.393 6.425 ( 3.991 -8.842 7.893) 12.507 6.657 ( 0.301 4.993 8.083) 9.506 6.747 ( 8.264 3.398 5.965) 10.743 7.209 ( -9.639 -4.280 8.746) 13.701 7.326 ( 2.585 4.612 2.784) 5.975 7.566 ( 0.291 3.090 2.963) 4.291 7.876 ( -7.753 -2.884 2.075) 8.528 7.970 ( -8.391 -8.027 8.533) 14.410 8.028 ( -2.689 -1.020 22.543) 22.726 8.131 ( 3.788 -1.770 -1.159) 4.338 8.219 ( -6.798 -1.239 -5.129) 8.605 8.361 ( 4.423 8.545 -9.192) 13.307 8.467 ( 10.924 -4.812 -4.413) 12.726 8.928 ( 3.264 3.548 -7.737) 9.116 9.116 ( 12.371 11.128 -4.611) 17.266 9.442 ( -17.846 -9.926 4.304) 20.869 9.586 ( -0.715 -1.338 3.082) 3.435 9.824 ( -12.202 -7.748 -2.036) 14.596 10.014 ( -5.916 -10.233 -0.603) 11.835 10.230 ( 0.913 -9.117 -7.876) 12.083 10.498 ( -0.469 11.576 -6.728) 13.398 10.551 ( 4.438 8.302 -2.753) 9.808 10.751 ( 10.881 4.569 -8.548) 14.572 11.168 ( -2.180 2.993 -4.760) 6.030 11.293 ( -0.879 -1.024 -14.676) 14.738 11.356 ( 10.291 3.303 -2.731) 11.148 11.431 ( 3.475 6.337 -9.787) 12.167 11.680 ( 3.202 2.650 -5.638) 7.004 11.816 ( 13.667 1.854 -4.211) 14.421 12.096 ( -0.024 0.218 -18.442) 18.444 12.599 ( -6.024 -3.324 7.664) 10.299 13.064 ( -4.660 -2.981 -0.380) 5.545 21.368 ( 2.310 1.244 6.347) 6.868 21.449 ( 7.240 5.496 5.030) 10.389 21.844 ( 1.775 -1.717 -0.460) 2.512 21.900 ( 2.800 3.967 0.962) 4.950 22.151 ( -0.580 0.459 0.089) 0.745 22.216 ( 3.064 -0.279 2.772) 4.141 22.247 ( 3.006 2.221 2.023) 4.250 22.583 ( -1.532 -0.287 -1.552) 2.200 22.628 ( 1.419 -2.340 -4.083) 4.915 22.735 ( -1.346 0.216 -7.116) 7.245 23.058 ( -0.651 -1.202 4.366) 4.575 23.089 ( 0.913 1.661 3.664) 4.126 23.362 ( -2.438 -0.387 3.187) 4.031 23.402 ( 0.440 -1.477 2.168) 2.660 23.713 ( -6.818 -1.790 8.962) 11.402 23.752 ( -3.460 1.932 11.140) 11.824 23.882 ( -1.859 -5.865 5.356) 8.157 24.017 ( -0.878 6.534 9.000) 11.156 24.151 ( 4.647 -3.717 5.652) 8.207 24.230 ( 3.183 2.361 5.952) 7.150 24.645 ( -1.150 -1.011 3.612) 3.924 24.664 ( -1.174 -0.165 2.925) 3.156 24.959 ( -1.891 -0.781 -3.139) 3.747 25.167 ( 1.201 1.034 -9.314) 9.448 25.241 ( -2.285 -0.502 -6.204) 6.631 25.280 ( 0.936 -1.524 -6.705) 6.940 25.788 ( -2.142 -2.090 2.689) 4.024 25.881 ( 0.136 -1.218 3.758) 3.952 26.026 ( 0.434 2.806 3.734) 4.691 26.168 ( -1.707 -5.911 -1.366) 6.302 26.270 ( 0.485 4.200 -0.468) 4.253 26.355 ( -1.148 -0.292 -1.253) 1.724 ======================= Grid point 112 (23/52) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 5.820 16.494 28.113) 33.110 2.288 ( 23.929 8.235 23.377) 34.451 3.251 ( -16.947 -7.631 6.731) 19.767 3.603 ( -10.479 -2.986 2.235) 11.123 3.786 ( 14.649 4.421 25.894) 30.077 3.923 ( 1.097 2.992 13.008) 13.392 4.196 ( -1.720 8.087 11.538) 14.195 4.420 ( 5.956 -2.945 3.984) 7.747 4.454 ( -4.512 1.694 5.124) 7.035 4.606 ( 3.238 -5.215 10.688) 12.325 4.746 ( 3.665 -6.533 5.683) 9.403 4.793 ( 2.332 -3.215 -2.690) 4.797 4.904 ( -0.699 -6.016 -3.015) 6.765 5.206 ( -1.318 -3.287 13.307) 13.770 5.401 ( -4.079 4.687 5.982) 8.625 5.595 ( 3.860 -7.944 10.950) 14.068 5.729 ( -2.070 1.973 0.192) 2.866 5.914 ( -13.537 -0.058 4.934) 14.408 6.166 ( 0.763 5.235 4.186) 6.746 6.300 ( 1.212 -5.656 22.348) 23.085 6.443 ( 1.241 2.126 6.399) 6.856 6.587 ( -3.452 -4.002 9.060) 10.489 6.879 ( -0.053 2.747 2.317) 3.594 7.024 ( -7.091 -3.995 8.100) 11.483 7.352 ( -1.143 -1.918 3.717) 4.336 7.585 ( -12.105 -2.673 5.321) 13.490 7.599 ( -7.305 4.006 5.163) 9.801 7.789 ( -4.156 -6.138 1.969) 7.670 7.969 ( -3.153 -0.762 23.497) 23.719 8.051 ( -3.874 -5.120 3.964) 7.546 8.206 ( -4.901 6.110 2.396) 8.191 8.501 ( 8.654 -2.116 -11.169) 14.286 8.649 ( 9.982 3.545 -15.814) 19.034 8.976 ( -0.846 1.370 -8.253) 8.408 9.118 ( -4.015 -7.229 6.786) 10.697 9.298 ( -0.887 -2.178 -1.490) 2.784 9.544 ( -1.382 -7.616 2.119) 8.025 9.732 ( 0.448 5.340 -5.769) 7.874 9.824 ( 1.466 -5.679 -8.470) 10.303 10.209 ( 1.186 -2.410 -8.525) 8.938 10.587 ( 2.265 2.427 -11.862) 12.318 10.680 ( 0.094 7.078 -4.925) 8.623 10.866 ( 0.116 5.020 -10.911) 12.011 11.158 ( -2.908 5.454 -6.421) 8.912 11.321 ( 1.577 4.663 -2.734) 5.631 11.517 ( 4.423 3.475 0.414) 5.640 11.629 ( 7.470 5.415 -6.972) 11.564 11.822 ( 9.573 3.162 -4.098) 10.883 12.045 ( 9.193 -1.384 -6.049) 11.091 12.111 ( 2.614 0.823 -15.853) 16.089 12.451 ( -5.906 -2.890 6.790) 9.452 12.912 ( -7.388 -5.364 -1.167) 9.204 21.432 ( 2.761 1.902 6.732) 7.521 21.629 ( 5.636 6.060 5.938) 10.186 21.865 ( 2.126 -1.145 1.873) 3.056 21.998 ( 2.921 3.479 3.873) 5.969 22.174 ( 2.381 1.834 -1.818) 3.513 22.276 ( 3.730 -0.042 1.832) 4.155 22.322 ( 3.146 1.355 0.586) 3.475 22.553 ( -0.952 -2.217 -2.636) 3.574 22.605 ( -0.115 -3.545 -1.854) 4.002 22.718 ( -0.243 -0.748 -3.972) 4.049 23.031 ( -1.301 -0.779 2.643) 3.047 23.125 ( 1.125 1.076 2.375) 2.839 23.271 ( -3.944 -4.045 2.204) 6.064 23.401 ( -2.135 2.995 3.870) 5.339 23.558 ( -7.741 -0.553 4.682) 9.063 23.700 ( -4.994 2.141 7.019) 8.876 23.869 ( 3.616 0.518 8.910) 9.630 24.076 ( 0.098 4.568 9.582) 10.616 24.160 ( 2.704 -5.391 8.382) 10.327 24.312 ( 2.675 1.388 7.842) 8.401 24.606 ( -1.971 -1.479 3.301) 4.119 24.650 ( 0.308 0.791 1.693) 1.894 24.899 ( -3.624 -1.344 -1.482) 4.140 25.170 ( -1.805 -1.054 -7.199) 7.496 25.209 ( 0.002 0.457 -6.052) 6.069 25.279 ( 1.257 -2.673 -8.361) 8.867 25.751 ( 0.119 -1.458 0.142) 1.469 25.846 ( -1.013 -2.827 1.320) 3.281 26.053 ( -1.405 -2.021 0.712) 2.563 26.105 ( 1.402 0.295 1.095) 1.803 26.303 ( -2.149 1.306 -0.060) 2.515 26.337 ( -0.056 2.328 -0.051) 2.329 ======================= Grid point 113 (24/52) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 5.339 14.308 22.029) 26.805 2.792 ( 14.493 8.938 16.546) 23.743 2.892 ( -6.128 -4.296 9.278) 11.920 3.333 ( -16.326 -4.960 7.654) 18.700 3.846 ( -3.326 -2.126 12.537) 13.143 3.988 ( 1.993 -0.171 11.236) 11.413 4.188 ( -6.285 3.146 6.265) 9.415 4.344 ( 7.403 0.479 10.708) 13.027 4.499 ( -1.973 -0.582 0.840) 2.222 4.686 ( 6.107 -6.388 5.924) 10.639 4.748 ( 2.320 -8.698 10.564) 13.880 4.844 ( 5.767 -6.832 -3.507) 9.604 4.977 ( 5.307 3.035 4.464) 7.570 5.276 ( 4.087 8.897 14.673) 17.639 5.424 ( 3.317 3.743 5.420) 7.375 5.524 ( -0.062 -8.410 9.202) 12.467 5.752 ( 2.691 0.900 9.059) 9.493 5.822 ( 2.013 5.148 5.728) 7.960 6.091 ( -13.618 -6.983 12.129) 19.527 6.168 ( -6.093 -1.342 11.489) 13.074 6.466 ( 0.590 -0.500 16.740) 16.758 6.561 ( -1.708 4.397 4.246) 6.346 6.826 ( -0.797 -1.313 4.358) 4.621 6.896 ( -4.465 -3.036 4.649) 7.125 7.244 ( -4.299 -5.337 9.863) 12.010 7.395 ( -1.253 -1.418 0.125) 1.896 7.581 ( -2.932 1.523 -1.539) 3.645 7.726 ( -0.641 2.972 5.458) 6.248 7.870 ( -8.358 2.039 4.249) 9.595 7.975 ( 0.255 -2.264 21.986) 22.104 8.190 ( -4.897 8.825 7.115) 12.349 8.561 ( 0.804 -1.756 -10.868) 11.038 8.857 ( 10.959 1.302 -11.843) 16.188 8.971 ( 3.012 -6.877 -12.706) 14.758 9.098 ( -1.311 -0.565 -7.862) 7.990 9.228 ( 0.956 -0.803 8.803) 8.892 9.438 ( -0.968 -9.104 2.047) 9.382 9.631 ( 0.730 -9.089 -6.639) 11.279 10.026 ( 8.644 3.268 -15.033) 17.646 10.191 ( -4.384 4.328 -10.625) 12.281 10.618 ( 1.324 -1.923 -15.465) 15.641 10.701 ( -4.335 6.892 -7.396) 11.000 10.898 ( -1.530 4.037 -11.710) 12.481 11.196 ( -1.060 6.040 -0.602) 6.162 11.389 ( -1.334 6.977 4.220) 8.262 11.604 ( 0.531 6.277 1.715) 6.529 11.730 ( 1.827 -2.223 -1.602) 3.293 12.001 ( 7.269 -0.126 -8.603) 11.264 12.090 ( 0.947 0.161 -11.128) 11.169 12.178 ( 2.607 -3.797 -4.718) 6.593 12.389 ( 0.454 0.085 1.784) 1.843 12.741 ( -4.402 -4.682 -2.544) 6.912 21.484 ( 0.920 1.396 7.251) 7.441 21.746 ( 2.502 2.345 6.743) 7.565 21.884 ( -0.713 2.084 6.097) 6.483 22.043 ( 0.653 -0.039 1.968) 2.074 22.272 ( 5.189 1.873 0.377) 5.530 22.331 ( 1.978 -0.646 3.346) 3.940 22.371 ( 1.851 0.102 -1.874) 2.636 22.481 ( -2.378 -4.682 -5.183) 7.378 22.592 ( 1.114 -1.148 0.345) 1.637 22.705 ( 0.583 -2.537 -1.847) 3.192 22.989 ( -1.413 -1.791 2.450) 3.348 23.133 ( 2.230 -4.591 2.264) 5.583 23.236 ( -0.693 6.263 1.507) 6.479 23.333 ( -8.027 2.352 1.834) 8.563 23.498 ( -1.296 2.706 4.293) 5.238 23.643 ( -3.498 2.201 4.645) 6.217 23.967 ( 3.844 3.028 9.498) 10.685 24.093 ( -2.328 2.544 9.205) 9.830 24.147 ( 2.141 -5.416 8.328) 10.162 24.337 ( 0.347 -0.375 10.538) 10.550 24.566 ( -0.655 -1.219 3.509) 3.773 24.702 ( 3.048 2.842 -0.431) 4.189 24.810 ( -4.356 -1.924 0.276) 4.770 25.129 ( -0.764 -1.281 -5.781) 5.971 25.223 ( 0.172 1.069 -5.559) 5.663 25.267 ( 1.334 -3.820 -9.068) 9.930 25.758 ( 0.995 -0.145 -1.225) 1.585 25.810 ( 0.492 -3.000 -2.091) 3.690 25.991 ( 0.235 -4.829 0.149) 4.837 26.168 ( 1.501 4.019 1.399) 4.513 26.251 ( -3.189 -0.303 1.478) 3.527 26.366 ( -0.765 3.102 -0.074) 3.196 ======================= Grid point 118 (25/52) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 12.587 21.801 21.642) 33.198 2.007 ( 6.895 11.943 31.932) 34.783 3.440 ( -4.920 -8.521 11.473) 15.115 3.530 ( -2.915 -5.050 4.786) 7.543 3.721 ( 5.955 10.315 27.951) 30.383 3.941 ( 3.504 6.069 19.173) 20.414 4.261 ( 0.261 0.452 5.284) 5.310 4.353 ( 8.957 15.514 6.390) 19.020 4.444 ( -9.069 -15.708 2.819) 18.356 4.606 ( -4.589 -7.948 -3.395) 9.785 4.671 ( -1.832 -3.174 8.097) 8.887 4.794 ( -1.906 -3.301 -3.890) 5.447 4.862 ( -1.405 -2.434 -4.507) 5.311 5.160 ( -5.007 -8.672 7.419) 12.463 5.475 ( -3.248 -5.626 12.825) 14.376 5.532 ( 2.734 4.736 13.791) 14.836 5.760 ( -2.513 -4.353 4.156) 6.523 6.093 ( -1.589 -2.752 0.524) 3.221 6.207 ( 0.999 1.731 3.253) 3.818 6.220 ( -0.465 -0.805 22.457) 22.476 6.416 ( 2.850 4.937 11.541) 12.872 6.602 ( -2.909 -5.039 5.155) 7.773 6.863 ( 1.830 3.170 6.183) 7.185 7.070 ( -3.902 -6.758 5.130) 9.339 7.353 ( -3.663 -6.344 4.087) 8.388 7.675 ( 0.070 0.121 9.426) 9.427 7.758 ( -3.156 -5.466 -1.616) 6.516 7.767 ( -3.629 -6.285 7.617) 10.520 8.002 ( -1.123 -1.946 33.904) 33.979 8.120 ( -2.871 -4.973 -7.878) 9.748 8.250 ( 2.861 4.955 -6.605) 8.738 8.312 ( -0.629 -1.089 -3.082) 3.328 8.557 ( 4.279 7.412 -13.900) 16.323 9.041 ( 2.368 4.101 -10.618) 11.626 9.108 ( -9.241 -16.006 14.997) 23.801 9.359 ( -4.858 -8.414 -6.586) 11.737 9.436 ( 6.143 10.640 -6.541) 13.919 9.773 ( -6.428 -11.134 -3.407) 13.300 9.919 ( 3.320 5.751 0.001) 6.640 10.034 ( -3.266 -5.656 -10.922) 12.726 10.565 ( 1.962 3.398 -6.672) 7.740 10.812 ( 1.519 2.630 -9.489) 9.963 10.835 ( 4.976 8.619 -9.089) 13.478 11.267 ( -0.253 -0.437 -12.520) 12.530 11.323 ( 5.644 9.775 -4.369) 12.103 11.466 ( 4.245 7.353 3.075) 9.031 11.612 ( 5.433 9.409 -6.547) 12.685 11.730 ( 1.578 2.733 -2.374) 3.949 11.920 ( 4.424 7.663 -5.490) 10.413 12.106 ( 0.398 0.689 -18.614) 18.631 12.493 ( -3.564 -6.173 7.617) 10.432 12.949 ( -4.701 -8.142 -0.918) 9.447 21.422 ( 2.224 3.852 6.948) 8.250 21.606 ( 4.835 8.375 5.151) 10.957 21.831 ( 0.354 0.614 0.309) 0.773 21.998 ( 3.057 5.295 3.958) 7.283 22.170 ( 0.867 1.501 -2.124) 2.741 22.230 ( 0.809 1.402 3.514) 3.869 22.298 ( 1.517 2.627 0.626) 3.097 22.563 ( -1.936 -3.353 -5.652) 6.851 22.574 ( -0.483 -0.837 0.716) 1.203 22.721 ( -0.992 -1.718 -4.680) 5.083 23.032 ( -0.839 -1.453 3.085) 3.512 23.119 ( -0.021 -0.037 2.764) 2.765 23.293 ( -1.970 -3.412 1.255) 4.135 23.427 ( 1.434 2.484 6.211) 6.842 23.638 ( -3.240 -5.612 1.919) 6.759 23.794 ( 1.519 2.631 13.256) 13.600 23.814 ( -0.905 -1.568 4.511) 4.861 24.076 ( -1.313 -2.274 7.485) 7.932 24.128 ( 2.091 3.621 11.415) 12.157 24.281 ( 1.471 2.547 5.525) 6.259 24.615 ( -1.008 -1.746 3.923) 4.411 24.656 ( -0.206 -0.356 2.556) 2.589 24.926 ( -1.433 -2.482 -2.190) 3.607 25.183 ( -0.170 -0.294 -9.365) 9.372 25.227 ( -1.366 -2.366 -5.328) 5.988 25.234 ( -0.336 -0.582 -7.388) 7.419 25.738 ( -1.189 -2.059 1.743) 2.948 25.845 ( -1.311 -2.271 1.760) 3.159 26.048 ( -3.184 -5.515 -1.864) 6.635 26.100 ( 2.285 3.958 3.494) 5.753 26.338 ( -0.808 -1.399 -1.340) 2.098 26.342 ( 1.766 3.058 0.513) 3.568 ======================= Grid point 119 (26/52) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 3.478 19.102 23.778) 30.698 2.550 ( 22.138 18.883 15.637) 33.032 3.112 ( -17.693 -7.199 6.502) 20.178 3.488 ( -1.271 -5.803 6.605) 8.884 3.800 ( -4.319 -5.965 20.305) 21.599 3.979 ( -3.675 1.743 6.631) 7.779 4.200 ( 5.472 -10.601 8.967) 14.924 4.312 ( 4.110 -3.350 6.929) 8.725 4.423 ( -6.333 -2.847 3.472) 7.763 4.568 ( 2.291 -6.244 12.409) 14.079 4.643 ( -1.555 1.008 6.730) 6.980 4.780 ( -1.448 -0.217 -7.780) 7.917 5.006 ( 10.146 15.898 8.335) 20.619 5.090 ( 11.358 -0.336 9.742) 14.967 5.361 ( 0.880 -8.003 6.570) 10.392 5.594 ( -4.421 8.015 11.341) 14.574 5.753 ( 0.011 -3.162 8.704) 9.261 5.885 ( -5.735 -1.785 8.397) 10.325 6.203 ( -1.190 -3.521 24.357) 24.639 6.272 ( -8.351 4.551 0.123) 9.511 6.502 ( 2.133 -2.761 5.461) 6.481 6.549 ( 0.522 4.242 3.059) 5.256 6.827 ( -2.005 -4.161 14.564) 15.279 6.991 ( -5.081 1.347 -2.543) 5.839 7.134 ( -2.102 -17.042 7.384) 18.692 7.455 ( -6.342 -6.798 6.998) 11.636 7.648 ( -4.400 -3.358 0.296) 5.543 7.815 ( -5.321 4.302 9.376) 11.607 7.941 ( -1.570 -2.577 18.777) 19.018 7.999 ( -1.315 -1.763 8.109) 8.402 8.358 ( 3.538 2.540 -3.272) 5.448 8.376 ( 2.091 2.226 -5.246) 6.070 8.693 ( 6.453 2.184 -16.498) 17.849 8.911 ( 2.673 -9.910 12.876) 16.466 9.071 ( 0.246 -1.587 -11.812) 11.921 9.259 ( -3.286 6.763 -10.178) 12.654 9.402 ( -6.217 -13.673 4.646) 15.722 9.674 ( -5.960 1.752 -17.591) 18.656 9.944 ( 3.002 6.578 -8.771) 11.367 10.123 ( 9.999 -6.348 -8.494) 14.575 10.639 ( -0.222 6.930 -10.002) 12.170 10.819 ( -1.299 4.017 -8.879) 9.832 10.971 ( 0.944 4.666 -9.802) 10.897 11.263 ( -1.149 4.241 -3.674) 5.728 11.485 ( -1.756 8.333 -1.118) 8.589 11.594 ( 5.456 5.105 4.382) 8.662 11.749 ( 1.999 5.667 -2.147) 6.381 11.849 ( 7.734 0.023 -1.891) 7.962 12.044 ( 3.669 0.383 -6.518) 7.490 12.123 ( 0.858 0.404 -17.876) 17.901 12.400 ( -1.472 -1.264 4.201) 4.627 12.760 ( -5.857 -9.216 -1.855) 11.076 21.503 ( 1.407 4.835 7.480) 9.017 21.720 ( 1.980 1.384 6.396) 6.837 21.889 ( 3.154 4.621 3.297) 6.494 22.077 ( -0.472 4.015 5.369) 6.721 22.216 ( 2.481 1.927 -1.167) 3.351 22.263 ( 3.066 -1.924 2.867) 4.618 22.345 ( 1.656 0.973 -0.934) 2.136 22.486 ( -2.656 -3.757 -5.401) 7.095 22.570 ( 0.599 -0.297 0.784) 1.030 22.686 ( -0.487 -1.507 -2.612) 3.054 22.989 ( -1.865 -3.349 1.242) 4.029 23.055 ( -0.898 -6.676 2.225) 7.094 23.302 ( 0.518 5.301 1.885) 5.650 23.458 ( -2.311 1.829 7.921) 8.451 23.547 ( -2.427 1.418 -1.070) 3.008 23.762 ( -5.201 2.839 4.506) 7.444 23.873 ( 5.732 -1.513 9.112) 10.871 24.067 ( 2.415 -1.270 8.776) 9.190 24.167 ( -1.766 3.164 11.570) 12.124 24.311 ( 1.142 -1.780 8.411) 8.673 24.578 ( -1.489 -1.117 3.816) 4.246 24.677 ( 2.262 2.038 1.223) 3.282 24.860 ( -3.302 -2.513 -0.611) 4.194 25.143 ( -2.175 -1.524 -8.578) 8.979 25.195 ( 0.669 -2.324 -6.476) 6.913 25.234 ( 0.422 -1.109 -6.160) 6.274 25.723 ( 1.220 -0.776 -0.556) 1.549 25.797 ( -1.416 -2.237 -0.026) 2.647 25.954 ( -1.514 -4.665 -1.788) 5.221 26.177 ( 1.961 3.772 2.302) 4.834 26.298 ( -2.284 -0.876 -0.443) 2.486 26.392 ( 0.725 2.346 0.731) 2.562 ======================= Grid point 120 (27/52) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -7.746 13.416 18.838) 24.390 2.846 ( -1.253 2.170 9.053) 9.393 2.995 ( -2.814 4.874 11.733) 13.013 3.291 ( -3.334 5.775 12.722) 14.364 3.698 ( 6.510 -11.276 13.121) 18.484 3.954 ( 2.737 -4.741 12.665) 13.797 4.239 ( 4.467 -7.737 4.322) 9.925 4.282 ( -1.427 2.472 2.946) 4.102 4.438 ( 2.185 -3.784 2.236) 4.909 4.484 ( 2.588 -4.482 18.417) 19.131 4.621 ( 4.225 -7.318 1.917) 8.665 4.772 ( -0.006 0.010 -9.457) 9.457 5.100 ( -2.293 3.972 6.115) 7.644 5.326 ( 4.231 -7.329 7.744) 11.472 5.512 ( -3.410 5.907 9.353) 11.576 5.557 ( -6.221 10.775 11.052) 16.642 5.721 ( 3.964 -6.866 5.826) 9.839 5.827 ( 0.186 -0.322 17.084) 17.088 6.043 ( -3.026 5.242 20.698) 21.565 6.189 ( -1.508 2.611 12.745) 13.097 6.498 ( -3.271 5.665 11.632) 13.345 6.568 ( 3.190 -5.526 0.742) 6.424 6.875 ( -1.921 3.327 6.007) 7.130 6.896 ( -2.514 4.354 2.671) 5.693 7.017 ( 7.570 -13.112 6.576) 16.507 7.377 ( 1.770 -3.065 2.937) 4.599 7.577 ( 0.107 -0.186 -0.885) 0.911 7.755 ( -1.113 1.927 5.438) 5.876 7.937 ( 0.845 -1.464 36.391) 36.430 7.976 ( -0.336 0.581 -4.353) 4.404 8.390 ( -5.261 9.113 -0.441) 10.532 8.411 ( 2.286 -3.959 -6.340) 7.816 8.805 ( 2.268 -3.928 1.416) 4.751 8.868 ( 2.002 -3.467 -18.150) 18.586 9.126 ( 6.326 -10.957 13.979) 18.855 9.175 ( 6.178 -10.701 -8.701) 15.113 9.328 ( -9.487 16.432 -16.298) 25.013 9.578 ( -1.277 2.212 -16.511) 16.708 10.039 ( -0.046 0.080 -6.164) 6.164 10.173 ( 5.397 -9.348 -14.219) 17.852 10.672 ( -4.815 8.340 -11.731) 15.178 10.846 ( -2.852 4.940 -7.913) 9.755 10.983 ( -2.134 3.697 -9.800) 10.689 11.289 ( -1.902 3.295 0.518) 3.840 11.487 ( -2.161 3.742 1.969) 4.748 11.733 ( -0.909 1.575 4.755) 5.090 11.747 ( -3.442 5.962 2.579) 7.351 11.935 ( 2.725 -4.719 -5.244) 7.562 12.062 ( 1.596 -2.764 -6.959) 7.656 12.134 ( 0.473 -0.819 -16.480) 16.507 12.405 ( -0.715 1.238 1.195) 1.864 12.635 ( 2.956 -5.120 -2.744) 6.518 21.544 ( -2.336 4.047 7.798) 9.091 21.737 ( 1.257 -2.178 6.366) 6.845 21.962 ( -2.563 4.440 7.023) 8.695 22.076 ( -1.822 3.156 2.411) 4.370 22.271 ( 2.526 -4.376 5.650) 7.580 22.274 ( 1.217 -2.109 0.712) 2.537 22.375 ( 0.044 -0.077 -4.062) 4.063 22.420 ( 0.625 -1.082 -4.685) 4.849 22.580 ( 0.140 -0.243 0.400) 0.489 22.676 ( 0.085 -0.148 -2.550) 2.556 22.937 ( 1.355 -2.347 1.863) 3.288 23.014 ( 3.499 -6.060 1.127) 7.088 23.370 ( -2.244 3.887 2.434) 5.106 23.395 ( -3.070 5.318 3.241) 6.943 23.562 ( -2.042 3.537 3.749) 5.544 23.719 ( -2.369 4.103 3.322) 5.786 23.925 ( 3.791 -6.566 6.004) 9.671 24.121 ( -1.155 2.001 11.033) 11.272 24.128 ( -0.991 1.717 10.155) 10.347 24.306 ( 1.619 -2.805 10.663) 11.144 24.556 ( -0.151 0.261 3.633) 3.645 24.761 ( 0.467 -0.810 1.593) 1.847 24.768 ( -0.881 1.526 -0.944) 1.999 25.113 ( 0.247 -0.429 -8.280) 8.294 25.190 ( 1.553 -2.690 -7.412) 8.036 25.230 ( 0.490 -0.849 -4.924) 5.021 25.751 ( 1.109 -1.922 -2.505) 3.346 25.757 ( 0.282 -0.488 -0.448) 0.720 25.914 ( 1.521 -2.635 -1.209) 3.274 26.243 ( -0.268 0.464 1.620) 1.706 26.244 ( -1.220 2.113 0.168) 2.446 26.411 ( -0.813 1.408 0.728) 1.781 ======================= Grid point 127 (28/52) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 8.582 14.865 15.817) 23.341 2.900 ( -6.188 -10.718 5.625) 13.595 3.019 ( 12.086 20.934 13.606) 27.738 3.420 ( -0.894 -1.548 12.052) 12.183 3.627 ( -6.147 -10.647 18.279) 22.028 3.758 ( -8.451 -14.637 9.853) 19.564 4.145 ( 2.384 4.128 4.532) 6.577 4.291 ( 0.101 0.175 8.554) 8.557 4.398 ( -4.783 -8.284 6.093) 11.342 4.486 ( 4.072 7.053 2.502) 8.520 4.663 ( -3.326 -5.760 -3.341) 7.443 4.665 ( -0.992 -1.719 4.970) 5.351 5.118 ( 2.573 4.456 5.123) 7.261 5.229 ( -2.813 -4.872 3.812) 6.796 5.534 ( 14.574 25.243 15.302) 32.920 5.632 ( -2.665 -4.616 2.893) 6.065 5.718 ( 1.231 2.132 15.429) 15.624 5.851 ( -1.533 -2.656 15.038) 15.347 6.158 ( -0.618 -1.070 24.968) 24.999 6.331 ( -4.219 -7.307 11.129) 13.966 6.333 ( -2.455 -4.252 0.449) 4.930 6.648 ( 1.417 2.453 7.613) 8.123 6.764 ( -1.364 -2.363 13.412) 13.687 6.927 ( 1.142 1.978 6.711) 7.089 7.012 ( -1.132 -1.960 -2.576) 3.429 7.309 ( -3.270 -5.664 3.060) 7.221 7.582 ( -1.453 -2.517 -0.813) 3.018 7.829 ( -1.964 -3.402 -2.961) 4.919 7.865 ( -1.251 -2.166 1.603) 2.971 7.925 ( -0.790 -1.368 37.151) 37.184 8.449 ( 3.673 6.363 -3.284) 8.047 8.506 ( 1.744 3.020 -4.281) 5.522 8.769 ( 3.218 5.573 -17.947) 19.066 8.797 ( 0.268 0.464 18.323) 18.331 8.949 ( -3.798 -6.578 -13.409) 15.411 9.080 ( -8.697 -15.064 0.501) 17.402 9.510 ( 8.060 13.961 -19.218) 25.084 9.702 ( -1.471 -2.548 -23.036) 23.223 9.962 ( -3.914 -6.778 -13.477) 15.585 10.048 ( 1.658 2.871 0.481) 3.350 10.820 ( 4.205 7.283 -8.634) 12.053 10.853 ( 0.658 1.140 -11.553) 11.628 11.021 ( -0.217 -0.375 -7.263) 7.275 11.329 ( 1.316 2.280 1.068) 2.841 11.582 ( 0.844 1.461 6.944) 7.146 11.655 ( 0.176 0.305 3.587) 3.604 11.856 ( 3.280 5.682 -1.942) 6.842 11.895 ( 1.807 3.130 -0.709) 3.683 12.012 ( -1.984 -3.436 -7.641) 8.610 12.125 ( -0.105 -0.181 -19.231) 19.232 12.423 ( 1.992 3.450 0.186) 3.988 12.574 ( -4.711 -8.160 -2.071) 9.648 21.604 ( 2.564 4.440 7.835) 9.364 21.700 ( -1.365 -2.364 7.024) 7.535 22.016 ( 3.645 6.313 6.624) 9.850 22.145 ( 1.037 1.796 3.530) 4.094 22.190 ( -2.215 -3.837 4.280) 6.160 22.237 ( -0.123 -0.212 0.548) 0.601 22.370 ( 0.860 1.489 -3.524) 3.921 22.417 ( -1.613 -2.794 -4.999) 5.950 22.578 ( 0.374 0.648 1.713) 1.869 22.681 ( 0.435 0.754 -3.301) 3.414 22.920 ( -1.614 -2.795 0.640) 3.290 22.935 ( -2.163 -3.746 1.458) 4.565 23.402 ( 2.328 4.032 3.128) 5.609 23.464 ( -0.723 -1.251 5.285) 5.479 23.620 ( 2.954 5.117 1.797) 6.176 23.771 ( -2.851 -4.938 5.410) 7.860 23.822 ( 0.392 0.679 2.090) 2.232 24.119 ( 2.866 4.964 11.214) 12.594 24.200 ( -0.304 -0.527 13.053) 13.067 24.244 ( -2.120 -3.671 9.006) 9.954 24.563 ( -0.215 -0.372 3.326) 3.354 24.734 ( 1.932 3.347 1.318) 4.083 24.804 ( -1.714 -2.969 0.774) 3.515 25.102 ( -1.069 -1.852 -11.626) 11.821 25.175 ( 0.283 0.491 -4.900) 4.932 25.209 ( -0.782 -1.354 -4.885) 5.129 25.726 ( 0.527 0.913 -1.636) 1.946 25.756 ( -0.980 -1.697 -0.898) 2.155 25.887 ( -1.074 -1.860 -1.874) 2.851 26.238 ( 1.322 2.290 1.206) 2.906 26.276 ( -0.773 -1.340 -0.051) 1.548 26.424 ( 0.469 0.811 1.204) 1.526 ======================= Grid point 131 (29/52) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -4.341 7.519 31.812) 32.976 2.204 ( -11.790 20.420 26.081) 35.160 3.371 ( 5.165 -8.946 9.192) 13.828 3.579 ( 8.499 -14.720 0.146) 16.998 3.749 ( -8.864 15.353 33.805) 38.172 3.881 ( 2.242 -3.883 5.810) 7.339 4.077 ( -6.725 11.649 10.383) 16.992 4.456 ( -3.947 6.837 10.560) 13.185 4.465 ( 5.612 -9.720 4.491) 12.089 4.689 ( -1.136 1.968 11.202) 11.430 4.741 ( 0.709 -1.227 -5.656) 5.831 4.836 ( 0.484 -0.838 -1.303) 1.623 5.090 ( -1.003 1.738 -2.529) 3.229 5.200 ( 3.084 -5.341 15.585) 16.761 5.314 ( 1.858 -3.219 11.203) 11.804 5.691 ( -3.609 6.251 -0.042) 7.218 5.705 ( 3.418 -5.921 -0.753) 6.878 5.941 ( 6.890 -11.934 11.403) 17.887 6.078 ( -2.914 5.047 0.941) 5.903 6.348 ( -0.820 1.421 22.713) 22.772 6.540 ( 2.033 -3.522 10.604) 11.357 6.586 ( 0.805 -1.394 8.341) 8.495 6.806 ( -0.233 0.404 4.890) 4.912 7.043 ( 4.516 -7.821 7.160) 11.525 7.335 ( -0.188 0.325 0.752) 0.840 7.526 ( 1.818 -3.150 -0.869) 3.739 7.667 ( 6.698 -11.601 8.303) 15.761 7.873 ( 5.607 -9.711 13.496) 17.547 8.029 ( 0.444 -0.769 -5.180) 5.255 8.052 ( 2.747 -4.757 27.574) 28.116 8.198 ( 0.346 -0.600 -5.112) 5.159 8.513 ( 2.755 -4.772 -0.359) 5.522 8.518 ( -7.654 13.258 -19.227) 24.577 9.018 ( -0.052 0.090 -1.318) 1.322 9.242 ( -3.860 6.685 -0.925) 7.774 9.259 ( 1.183 -2.049 -5.807) 6.270 9.550 ( -2.111 3.657 -6.959) 8.140 9.748 ( 4.106 -7.111 1.791) 8.405 9.965 ( 2.694 -4.667 -6.375) 8.347 10.255 ( 0.169 -0.292 -0.135) 0.363 10.399 ( -1.410 2.442 -9.007) 9.438 10.668 ( -3.350 5.802 -4.750) 8.212 10.815 ( -0.004 0.007 -11.854) 11.854 11.111 ( 2.402 -4.161 -9.263) 10.435 11.296 ( -0.594 1.029 -5.628) 5.752 11.446 ( -2.169 3.757 -0.971) 4.446 11.577 ( -6.907 11.964 -7.726) 15.828 11.780 ( -4.436 7.684 -5.159) 10.264 12.075 ( -7.104 12.305 -2.850) 14.492 12.092 ( 0.103 -0.179 -18.672) 18.673 12.485 ( 3.857 -6.680 7.284) 10.609 12.966 ( 4.006 -6.939 -0.794) 8.052 21.421 ( -2.067 3.580 6.068) 7.342 21.552 ( -3.344 5.792 5.970) 8.965 21.887 ( -0.145 0.252 3.892) 3.903 21.956 ( -3.478 6.025 0.105) 6.958 22.154 ( -0.706 1.223 -1.016) 1.740 22.279 ( -1.571 2.722 1.498) 3.481 22.303 ( -2.152 3.727 0.958) 4.409 22.572 ( -0.102 0.177 -1.104) 1.123 22.686 ( 1.684 -2.917 -5.128) 6.135 22.690 ( -1.781 3.085 -3.243) 4.817 23.037 ( 1.488 -2.578 2.216) 3.711 23.101 ( -0.798 1.382 3.871) 4.187 23.336 ( 0.659 -1.141 1.813) 2.241 23.380 ( 2.059 -3.566 0.607) 4.162 23.529 ( 6.243 -10.814 9.211) 15.516 23.702 ( -0.179 0.309 11.576) 11.581 23.865 ( 1.828 -3.167 3.142) 4.821 24.014 ( -1.656 2.868 10.595) 11.100 24.254 ( -1.158 2.005 8.602) 8.908 24.264 ( -1.886 3.267 7.447) 8.348 24.625 ( 1.366 -2.366 1.663) 3.198 24.640 ( -0.073 0.126 3.007) 3.011 24.913 ( 1.846 -3.198 -1.703) 4.066 25.177 ( -0.153 0.266 -7.639) 7.646 25.206 ( 1.002 -1.735 -5.509) 5.862 25.309 ( -0.756 1.310 -8.719) 8.849 25.766 ( 0.558 -0.966 -0.197) 1.133 25.893 ( 0.278 -0.482 3.148) 3.197 26.013 ( -0.464 0.804 2.646) 2.804 26.183 ( 1.036 -1.794 -0.437) 2.117 26.242 ( -0.444 0.769 -1.285) 1.562 26.324 ( 1.179 -2.042 0.601) 2.433 ======================= Grid point 139 (30/52) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -12.258 10.587 23.432) 28.485 2.649 ( -14.308 16.704 19.795) 29.590 3.065 ( 16.031 -5.460 6.425) 18.113 3.338 ( 1.596 -15.257 1.842) 15.450 3.807 ( 1.266 -8.683 11.082) 14.136 3.981 ( -0.895 1.210 15.240) 15.314 4.164 ( 0.790 1.497 16.534) 16.620 4.300 ( 0.346 -6.572 9.649) 11.680 4.499 ( -0.711 3.261 6.786) 7.562 4.753 ( -2.106 -2.326 -3.606) 4.780 4.806 ( 0.519 4.650 3.658) 5.939 4.966 ( 3.700 0.782 -3.110) 4.897 5.024 ( -7.201 17.507 13.920) 23.497 5.223 ( -2.423 10.933 15.612) 19.213 5.370 ( -4.705 1.968 9.522) 10.802 5.612 ( 3.565 -3.446 5.158) 7.155 5.688 ( -1.201 -7.061 5.615) 9.102 5.849 ( 3.263 7.798 4.015) 9.358 6.117 ( 0.311 -4.447 3.699) 5.792 6.291 ( 11.879 -6.724 13.078) 18.904 6.411 ( -1.091 -4.143 11.477) 12.250 6.537 ( 1.735 -2.113 16.505) 16.730 6.815 ( -1.935 -3.242 7.548) 8.439 6.942 ( 1.302 -1.563 3.801) 4.311 7.275 ( 7.603 -9.113 5.374) 13.028 7.361 ( -2.211 -7.917 1.417) 8.341 7.586 ( 3.287 1.448 -2.012) 4.117 7.682 ( 1.661 -7.884 -0.004) 8.057 7.930 ( 7.881 -2.687 12.801) 15.270 8.003 ( 0.224 -2.019 17.429) 17.547 8.147 ( 4.502 2.073 4.514) 6.704 8.451 ( -3.302 -9.481 -4.675) 11.074 8.791 ( -8.463 11.187 -18.105) 22.903 8.960 ( -4.677 -8.371 11.225) 14.763 9.274 ( 7.309 11.619 -15.824) 20.948 9.309 ( 3.819 2.401 -7.697) 8.921 9.560 ( 6.213 0.122 0.160) 6.216 9.739 ( -7.106 0.527 -9.408) 11.802 9.946 ( -4.372 4.776 -9.320) 11.348 10.208 ( 8.137 6.081 -5.265) 11.441 10.519 ( -10.403 -5.590 -8.259) 14.412 10.713 ( 5.602 1.298 -10.040) 11.570 10.820 ( -3.904 -1.847 -10.190) 11.067 11.066 ( -4.178 -2.884 -1.697) 5.353 11.305 ( 0.082 -0.630 -0.634) 0.898 11.489 ( -2.606 -4.446 1.830) 5.468 11.800 ( -2.898 11.229 -6.540) 13.314 11.960 ( -6.850 6.513 -4.767) 10.586 12.088 ( 0.140 0.080 -17.084) 17.085 12.233 ( -0.281 2.783 1.229) 3.056 12.402 ( 0.146 1.493 1.130) 1.879 12.806 ( 5.653 -6.586 -1.706) 8.845 21.491 ( -0.807 4.358 6.465) 7.839 21.664 ( -5.286 1.337 7.073) 8.931 21.870 ( 0.976 -1.977 6.500) 6.863 22.076 ( -0.954 6.780 1.104) 6.935 22.215 ( -4.936 2.467 -1.586) 5.741 22.325 ( -1.292 1.364 1.971) 2.723 22.368 ( -1.543 2.311 -0.941) 2.934 22.562 ( 3.075 -1.385 -5.201) 6.198 22.631 ( 1.462 2.643 1.449) 3.350 22.755 ( -0.195 3.611 -1.707) 3.999 22.975 ( 0.132 -4.580 1.380) 4.786 23.128 ( -1.503 -1.394 2.843) 3.505 23.232 ( 5.857 -4.335 2.271) 7.632 23.296 ( 2.209 -5.459 1.383) 6.050 23.430 ( -2.706 -2.784 6.548) 7.612 23.689 ( 5.225 3.298 5.999) 8.612 23.860 ( -6.216 -3.087 6.255) 9.343 24.047 ( -0.359 -1.968 9.130) 9.347 24.258 ( 2.818 4.298 9.820) 11.083 24.324 ( -1.929 -0.032 10.507) 10.682 24.592 ( 0.872 0.452 1.312) 1.638 24.661 ( -1.862 0.912 1.264) 2.428 24.835 ( 2.855 -3.848 0.121) 4.793 25.159 ( 1.902 -0.086 -5.370) 5.698 25.192 ( -1.117 -1.487 -5.562) 5.865 25.327 ( 0.775 2.114 -10.039) 10.288 25.760 ( -0.158 0.380 -2.063) 2.104 25.862 ( 2.099 0.000 -0.396) 2.136 26.055 ( -1.399 1.518 1.812) 2.747 26.137 ( 2.119 1.486 0.894) 2.738 26.252 ( 0.828 -2.201 0.550) 2.415 26.294 ( -2.020 -2.966 0.231) 3.596 ======================= Grid point 145 (31/52) ======================= q-point: (-0.43 0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 2.826 4.895 18.130) 18.991 2.705 ( -2.590 -4.486 11.708) 12.803 3.138 ( -2.289 -3.964 6.555) 7.995 3.142 ( 6.524 11.301 15.603) 20.340 3.692 ( -5.301 -9.182 11.135) 15.375 3.941 ( -4.318 -7.478 12.159) 14.914 4.132 ( 0.486 0.841 11.237) 11.279 4.349 ( -4.542 -7.868 4.979) 10.360 4.500 ( 2.425 4.201 7.101) 8.600 4.726 ( -0.816 -1.413 -4.011) 4.330 4.907 ( 1.753 3.037 5.104) 6.193 4.919 ( 3.112 5.390 2.457) 6.691 5.238 ( 8.182 14.172 6.822) 17.730 5.246 ( 2.699 4.675 11.739) 12.921 5.501 ( 1.965 3.404 0.831) 4.017 5.520 ( -1.052 -1.823 16.806) 16.938 5.811 ( -0.093 -0.161 7.074) 7.077 5.896 ( -0.357 -0.618 10.486) 10.510 5.902 ( -0.508 -0.880 15.220) 15.254 6.101 ( -1.197 -2.073 8.138) 8.483 6.399 ( -5.924 -10.260 4.964) 12.845 6.523 ( 2.010 3.482 21.273) 21.650 6.816 ( -1.596 -2.764 11.455) 11.891 6.939 ( 3.015 5.222 1.606) 6.241 7.119 ( -2.948 -5.106 4.015) 7.134 7.370 ( -4.321 -7.484 2.149) 8.905 7.538 ( -0.161 -0.279 -6.197) 6.206 7.718 ( -2.066 -3.579 -0.337) 4.147 7.730 ( 1.660 2.875 5.116) 6.099 8.001 ( -0.025 -0.043 26.059) 26.059 8.137 ( 1.767 3.061 6.176) 7.116 8.420 ( -4.534 -7.853 -7.348) 11.671 8.935 ( -5.613 -9.722 10.447) 15.335 9.056 ( 1.018 1.764 -18.753) 18.863 9.154 ( 0.201 0.349 -6.063) 6.076 9.278 ( 8.787 15.220 -18.429) 25.465 9.524 ( 1.003 1.738 -0.131) 2.011 9.802 ( 2.889 5.004 -8.273) 10.091 10.057 ( -1.064 -1.843 -10.725) 10.934 10.164 ( 5.161 8.938 -8.036) 13.081 10.594 ( -1.933 -3.349 -18.480) 18.880 10.614 ( -1.010 -1.749 -3.045) 3.654 10.854 ( -2.988 -5.175 -9.938) 11.596 11.130 ( -0.320 -0.554 0.571) 0.857 11.291 ( -2.326 -4.029 6.387) 7.902 11.477 ( -4.246 -7.354 0.565) 8.510 11.877 ( 4.872 8.439 -3.599) 10.388 12.059 ( 0.203 0.352 -19.951) 19.956 12.107 ( 0.232 0.402 -2.849) 2.887 12.217 ( -0.119 -0.207 2.927) 2.937 12.440 ( 2.451 4.245 -1.732) 5.198 12.701 ( -1.419 -2.457 -2.823) 4.002 21.521 ( 2.029 3.515 6.873) 7.982 21.736 ( -1.496 -2.592 7.099) 7.704 21.834 ( -1.205 -2.087 7.760) 8.125 22.112 ( 3.220 5.577 0.077) 6.441 22.314 ( -0.197 -0.341 0.735) 0.834 22.342 ( -0.290 -0.502 3.449) 3.497 22.403 ( 0.669 1.159 -3.091) 3.368 22.483 ( -0.021 -0.036 -5.108) 5.108 22.655 ( 2.893 5.012 1.716) 6.036 22.755 ( 1.749 3.029 -1.056) 3.654 22.970 ( -1.016 -1.759 1.972) 2.831 23.092 ( -5.157 -8.932 2.788) 10.684 23.200 ( -0.138 -0.238 1.484) 1.509 23.222 ( -0.843 -1.459 2.356) 2.897 23.457 ( -0.778 -1.347 3.193) 3.551 23.643 ( 2.624 4.545 5.083) 7.305 23.951 ( -1.723 -2.984 7.925) 8.642 23.994 ( -3.378 -5.850 7.573) 10.148 24.254 ( 2.886 4.998 9.920) 11.476 24.339 ( -0.077 -0.133 11.507) 11.508 24.591 ( 1.372 2.376 2.613) 3.789 24.711 ( -0.455 -0.787 -1.334) 1.615 24.761 ( -0.987 -1.709 1.966) 2.786 25.140 ( 0.531 0.920 -4.873) 4.987 25.196 ( -1.049 -1.816 -5.270) 5.672 25.329 ( 1.468 2.542 -10.261) 10.672 25.767 ( 0.333 0.577 -1.904) 2.017 25.841 ( 0.149 0.258 -3.365) 3.378 26.062 ( 2.445 4.235 1.950) 5.264 26.156 ( -0.118 -0.205 0.202) 0.311 26.209 ( -0.827 -1.432 3.284) 3.677 26.304 ( -2.232 -3.865 -0.667) 4.513 ======================= Grid point 147 (32/52) ======================= q-point: (-0.29 0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -10.466 18.127 15.495) 26.042 2.659 ( 7.851 -13.598 10.925) 19.128 3.085 ( 3.368 -5.833 6.079) 9.073 3.272 ( -11.615 20.117 15.490) 27.920 3.648 ( 3.804 -6.589 10.307) 12.811 3.783 ( 9.280 -16.073 17.252) 25.339 4.183 ( 1.047 -1.814 9.000) 9.241 4.211 ( 0.089 -0.154 9.234) 9.236 4.546 ( 0.356 -0.616 2.232) 2.342 4.702 ( 0.775 -1.342 -7.259) 7.423 4.940 ( -3.979 6.891 3.480) 8.685 4.983 ( -2.416 4.184 3.487) 5.959 5.302 ( -4.802 8.317 9.924) 13.810 5.437 ( -1.734 3.003 15.102) 15.495 5.490 ( 3.293 -5.704 11.789) 13.504 5.610 ( -10.550 18.272 15.729) 26.317 5.648 ( -2.023 3.504 -0.740) 4.113 5.913 ( 2.015 -3.489 15.557) 16.070 5.934 ( 6.711 -11.624 5.604) 14.545 6.140 ( 3.650 -6.323 9.865) 12.273 6.224 ( 4.611 -7.986 6.771) 11.440 6.586 ( -2.466 4.271 21.044) 21.614 6.735 ( 2.908 -5.037 15.925) 16.953 6.997 ( -3.010 5.213 -2.485) 6.513 7.121 ( 3.163 -5.478 -1.528) 6.508 7.219 ( 2.515 -4.356 4.304) 6.621 7.565 ( 1.880 -3.256 -3.089) 4.866 7.646 ( -3.855 6.677 -4.529) 8.942 7.873 ( 4.238 -7.340 -3.523) 9.178 7.940 ( 1.455 -2.521 41.350) 41.453 8.214 ( -2.534 4.389 -3.760) 6.311 8.332 ( 1.869 -3.237 -2.466) 4.478 8.762 ( 3.675 -6.364 14.687) 16.423 9.032 ( -6.334 10.971 -18.425) 22.360 9.272 ( 2.496 -4.324 -10.671) 11.781 9.338 ( 2.936 -5.086 -10.242) 11.806 9.646 ( -3.194 5.533 -16.249) 17.460 9.751 ( -1.138 1.970 -15.535) 15.701 10.054 ( -2.459 4.260 -6.498) 8.150 10.436 ( -2.779 4.813 -13.618) 14.708 10.436 ( -4.030 6.979 7.463) 10.984 10.666 ( 4.556 -7.890 -8.112) 12.199 10.696 ( 3.666 -6.350 -10.473) 12.785 11.131 ( -3.983 6.899 1.306) 8.073 11.287 ( 0.804 -1.392 0.509) 1.686 11.369 ( 3.491 -6.046 2.797) 7.521 11.978 ( -2.648 4.586 -8.423) 9.950 12.056 ( -1.099 1.903 -17.883) 18.018 12.110 ( -1.853 3.210 -1.578) 4.029 12.202 ( 1.713 -2.968 4.358) 5.544 12.501 ( -3.381 5.856 -2.806) 7.321 12.664 ( 3.918 -6.786 -2.408) 8.198 21.588 ( -2.483 4.301 6.557) 8.226 21.674 ( 0.235 -0.407 7.205) 7.220 21.817 ( 1.398 -2.422 7.935) 8.413 22.218 ( -2.748 4.759 1.710) 5.755 22.262 ( -1.888 3.271 -1.183) 3.958 22.333 ( 0.554 -0.959 1.845) 2.152 22.412 ( -1.215 2.105 -2.347) 3.379 22.487 ( 2.653 -4.595 -4.305) 6.833 22.732 ( -3.759 6.511 1.841) 7.741 22.840 ( -1.780 3.083 0.658) 3.620 22.875 ( 2.145 -3.716 -0.100) 4.292 22.993 ( 5.203 -9.012 2.326) 10.663 23.185 ( -0.163 0.282 3.084) 3.101 23.219 ( 1.572 -2.723 3.252) 4.524 23.441 ( -0.865 1.498 2.387) 2.948 23.789 ( -0.813 1.408 5.044) 5.300 23.807 ( -2.053 3.556 6.436) 7.634 23.953 ( 4.015 -6.954 7.112) 10.727 24.319 ( -0.623 1.080 11.525) 11.592 24.328 ( -0.445 0.771 11.698) 11.732 24.636 ( -1.854 3.210 1.149) 3.881 24.679 ( -0.662 1.147 0.904) 1.603 24.748 ( 2.676 -4.635 0.886) 5.425 25.158 ( 0.203 -0.351 -4.788) 4.805 25.167 ( 0.273 -0.473 -5.144) 5.173 25.356 ( -0.413 0.715 -10.599) 10.631 25.779 ( -0.891 1.544 -2.874) 3.382 25.833 ( 1.267 -2.194 -2.465) 3.535 26.121 ( -2.372 4.108 1.405) 4.947 26.154 ( -0.349 0.604 3.513) 3.581 26.217 ( 1.895 -3.282 2.490) 4.535 26.228 ( 0.879 -1.523 -2.501) 3.058 ======================= Grid point 165 (33/52) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.000 0.000 37.200) 37.200 2.444 ( 0.000 0.000 37.200) 37.200 3.679 ( 0.000 -0.000 -12.866) 12.866 3.679 ( 0.000 0.000 -12.866) 12.866 3.786 ( 0.000 0.000 8.503) 8.503 4.133 ( 0.000 -0.000 -3.520) 3.520 4.133 ( 0.000 0.000 -3.520) 3.520 4.294 ( 0.000 0.000 -14.164) 14.164 4.455 ( 0.000 0.000 49.664) 49.664 4.532 ( 0.000 -0.000 -17.443) 17.443 4.532 ( 0.000 0.000 -17.443) 17.443 5.293 ( 0.000 -0.000 19.981) 19.981 5.293 ( -0.000 0.000 19.981) 19.981 5.488 ( 0.000 0.000 -9.271) 9.271 5.610 ( 0.000 -0.000 20.404) 20.404 5.759 ( -0.000 0.000 1.983) 1.983 5.759 ( 0.000 0.000 1.983) 1.983 6.439 ( 0.000 0.000 -1.325) 1.325 6.575 ( 0.000 0.000 14.838) 14.838 6.575 ( 0.000 0.000 14.838) 14.838 6.804 ( 0.000 0.000 7.369) 7.369 6.804 ( 0.000 0.000 7.369) 7.369 6.923 ( 0.000 0.000 28.655) 28.655 7.193 ( 0.000 0.000 -4.813) 4.813 7.473 ( 0.000 0.000 -26.932) 26.932 7.615 ( 0.000 -0.000 9.413) 9.413 7.615 ( 0.000 0.000 9.413) 9.413 7.807 ( 0.000 -0.000 -12.877) 12.877 8.107 ( 0.000 -0.000 -10.470) 10.470 8.107 ( 0.000 0.000 -10.470) 10.470 8.368 ( 0.000 0.000 7.609) 7.609 8.368 ( 0.000 0.000 7.609) 7.609 8.771 ( 0.000 -0.000 -7.705) 7.705 8.771 ( 0.000 0.000 -7.705) 7.705 8.963 ( 0.000 -0.000 33.697) 33.697 9.617 ( 0.000 -0.000 -2.911) 2.911 9.958 ( 0.000 0.000 -2.292) 2.292 9.958 ( 0.000 0.000 -2.292) 2.292 9.963 ( 0.000 0.000 18.691) 18.691 10.239 ( 0.000 0.000 -10.710) 10.710 10.239 ( 0.000 0.000 -10.710) 10.710 10.507 ( 0.000 0.000 3.791) 3.791 10.525 ( 0.000 -0.000 7.992) 7.992 10.947 ( 0.000 0.000 -14.151) 14.151 11.163 ( 0.000 0.000 2.622) 2.622 11.163 ( 0.000 0.000 2.622) 2.622 11.198 ( 0.000 0.000 -10.686) 10.686 11.480 ( 0.000 0.000 -9.053) 9.053 11.480 ( 0.000 0.000 -9.053) 9.053 11.592 ( 0.000 -0.000 -28.547) 28.547 12.830 ( 0.000 0.000 7.585) 7.585 13.086 ( 0.000 -0.000 -3.381) 3.381 21.478 ( 0.000 -0.000 6.816) 6.816 21.478 ( 0.000 0.000 6.816) 6.816 21.764 ( 0.000 0.000 -6.026) 6.026 21.764 ( 0.000 0.000 -6.026) 6.026 22.255 ( 0.000 -0.000 6.052) 6.052 22.255 ( 0.000 0.000 6.052) 6.052 22.324 ( 0.000 0.000 6.066) 6.066 22.524 ( 0.000 -0.000 -5.272) 5.272 22.524 ( 0.000 0.000 -5.272) 5.272 22.587 ( 0.000 -0.000 -6.918) 6.918 23.200 ( 0.000 0.000 7.085) 7.085 23.200 ( 0.000 0.000 7.085) 7.085 23.417 ( 0.000 0.000 -1.296) 1.296 23.417 ( 0.000 0.000 -1.296) 1.296 23.971 ( 0.000 -0.000 7.043) 7.043 23.971 ( 0.000 0.000 7.043) 7.043 24.076 ( 0.000 -0.000 0.653) 0.653 24.076 ( 0.000 0.000 0.653) 0.653 24.227 ( 0.000 -0.000 13.034) 13.034 24.355 ( 0.000 -0.000 7.601) 7.601 24.769 ( 0.000 -0.000 6.223) 6.223 24.769 ( 0.000 0.000 6.223) 6.223 24.877 ( 0.000 0.000 -5.658) 5.658 24.934 ( 0.000 -0.000 -10.068) 10.068 25.114 ( 0.000 0.000 -8.533) 8.533 25.114 ( 0.000 0.000 -8.533) 8.533 25.962 ( 0.000 -0.000 5.999) 5.999 25.962 ( 0.000 0.000 5.999) 5.999 26.111 ( 0.000 -0.000 5.137) 5.137 26.185 ( 0.000 -0.000 -3.377) 3.377 26.185 ( 0.000 0.000 -3.377) 3.377 26.307 ( 0.000 -0.000 -3.527) 3.527 ======================= Grid point 166 (34/52) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -1.325 1.561 35.202) 35.261 2.573 ( 7.281 2.895 32.688) 33.614 3.562 ( -7.564 -1.708 -6.971) 10.428 3.658 ( -9.171 -1.605 -19.361) 21.483 3.820 ( 5.600 -5.396 5.652) 9.614 4.041 ( -0.913 10.763 3.556) 11.372 4.228 ( 5.226 -2.423 -3.125) 6.553 4.309 ( -3.556 0.956 -8.899) 9.631 4.464 ( 7.064 -0.207 -3.193) 7.755 4.572 ( 2.842 3.820 -9.804) 10.899 4.764 ( 17.530 1.625 23.091) 29.037 5.126 ( -8.422 -7.014 17.462) 20.616 5.259 ( -0.942 -4.904 20.008) 20.622 5.556 ( -4.505 -4.231 9.186) 11.072 5.605 ( -0.406 6.811 5.219) 8.590 5.686 ( -5.436 0.005 4.197) 6.868 5.811 ( 4.066 5.928 -2.456) 7.596 6.145 ( -13.228 -12.096 7.596) 19.468 6.477 ( -11.655 1.765 12.217) 16.977 6.633 ( 1.540 -7.960 11.781) 14.301 6.777 ( 0.464 3.815 4.074) 5.601 6.834 ( 2.876 -4.097 1.018) 5.108 6.931 ( 0.526 -0.409 26.381) 26.389 7.295 ( 2.133 9.899 0.026) 10.126 7.478 ( -6.409 -2.792 10.845) 12.903 7.500 ( -0.280 0.655 -17.661) 17.676 7.682 ( 3.232 -1.033 -0.114) 3.396 7.810 ( 2.032 0.593 -8.366) 8.629 8.033 ( -4.122 -3.799 -9.055) 10.650 8.137 ( -0.955 -0.352 -7.423) 7.492 8.350 ( -2.224 -0.450 6.661) 7.037 8.372 ( 2.344 -2.355 4.559) 5.642 8.690 ( -6.074 3.559 -6.733) 9.741 8.879 ( 5.675 -5.936 7.805) 11.329 9.036 ( 5.090 8.641 8.831) 13.363 9.471 ( -7.708 -6.863 -2.815) 10.698 9.758 ( -13.565 -0.065 13.868) 19.400 9.828 ( -7.314 -10.065 3.148) 12.834 10.027 ( -1.281 0.799 3.109) 3.456 10.092 ( -1.448 -10.411 -3.445) 11.061 10.283 ( -1.395 1.926 -11.449) 11.693 10.533 ( 1.059 3.665 -1.009) 3.946 10.622 ( 4.220 1.720 -2.397) 5.148 10.957 ( -0.058 4.028 -10.033) 10.811 11.135 ( 4.721 -2.955 -5.792) 8.036 11.279 ( 6.742 10.110 -1.002) 12.193 11.368 ( 10.235 7.243 3.495) 13.017 11.495 ( 0.032 4.692 -16.030) 16.702 11.619 ( 3.954 1.567 -20.372) 20.811 11.688 ( 14.630 1.204 -8.524) 16.975 12.763 ( -5.622 -2.988 7.791) 10.062 13.024 ( -5.058 -3.237 -3.575) 6.989 21.506 ( 1.864 2.163 6.688) 7.272 21.569 ( 7.051 3.920 6.109) 10.120 21.775 ( 2.990 -1.246 -5.303) 6.214 21.839 ( 4.327 4.916 -5.769) 8.728 22.226 ( -1.589 0.590 6.366) 6.588 22.300 ( 2.782 0.159 5.393) 6.070 22.343 ( 1.582 0.798 5.635) 5.907 22.503 ( -0.735 -2.389 -5.564) 6.100 22.544 ( 1.546 0.932 -4.442) 4.795 22.598 ( 0.434 0.984 -6.138) 6.232 23.174 ( -2.110 -1.296 6.390) 6.853 23.200 ( -0.131 0.220 6.391) 6.396 23.376 ( -2.766 -2.978 -1.514) 4.337 23.416 ( -0.929 0.992 -1.820) 2.272 23.859 ( -7.548 -2.873 5.899) 10.001 23.940 ( -4.778 -3.619 4.359) 7.411 24.015 ( 1.086 1.417 7.865) 8.066 24.156 ( 1.477 3.904 2.314) 4.772 24.309 ( 5.701 0.535 9.672) 11.240 24.377 ( 2.598 0.019 7.234) 7.687 24.738 ( -2.784 -0.731 3.860) 4.815 24.750 ( -1.666 -0.161 6.071) 6.298 24.872 ( -0.238 -0.538 -4.363) 4.402 24.962 ( 1.855 0.975 -8.918) 9.161 25.088 ( -1.067 -0.643 -8.015) 8.111 25.120 ( 0.001 -0.830 -8.369) 8.410 25.873 ( -4.703 -1.870 5.137) 7.211 25.971 ( -1.660 -3.453 4.141) 5.642 26.095 ( -1.226 2.389 1.318) 2.991 26.131 ( -0.147 -5.331 -1.073) 5.440 26.250 ( 0.999 5.291 -0.968) 5.471 26.322 ( 1.158 -0.367 -2.103) 2.428 ======================= Grid point 167 (35/52) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 2.364 8.600 28.397) 29.765 2.775 ( 13.006 3.298 22.832) 26.482 3.328 ( -15.184 -5.597 -2.716) 16.409 3.464 ( -8.003 0.947 -10.763) 13.446 3.907 ( 6.579 -0.409 -1.854) 6.848 4.179 ( 0.027 2.246 1.103) 2.502 4.255 ( 1.028 -3.184 -4.114) 5.303 4.339 ( 4.319 10.001 0.928) 10.933 4.525 ( 1.625 -4.611 -8.789) 10.057 4.673 ( 4.155 -3.776 -0.709) 5.659 4.876 ( -0.433 -2.508 12.363) 12.623 5.084 ( 5.047 -8.154 16.846) 19.385 5.261 ( 6.781 1.255 21.732) 22.800 5.387 ( -5.077 -2.190 4.255) 6.977 5.535 ( -7.332 1.381 13.356) 15.299 5.703 ( 0.235 4.029 -0.196) 4.041 5.835 ( -1.819 -3.732 9.781) 10.626 5.979 ( -0.759 2.591 -0.375) 2.726 6.314 ( -7.143 3.019 9.350) 12.147 6.577 ( -0.192 -8.088 7.920) 11.321 6.670 ( -5.523 -2.368 5.098) 7.880 6.880 ( -0.016 -1.785 8.798) 8.977 6.952 ( 1.844 -0.752 15.621) 15.748 7.324 ( -5.314 2.743 14.449) 15.638 7.410 ( -0.892 1.130 7.657) 7.792 7.523 ( 0.342 4.945 -9.757) 10.944 7.694 ( -0.766 -2.927 -3.684) 4.767 7.785 ( -7.056 0.573 1.878) 7.324 7.976 ( 1.516 -1.068 -7.216) 7.450 8.062 ( -6.413 -2.385 2.015) 7.133 8.261 ( -3.090 -0.139 -4.562) 5.512 8.391 ( 3.102 -5.797 -8.098) 10.432 8.630 ( -4.612 2.040 -12.775) 13.735 8.844 ( -1.210 -6.245 9.367) 11.323 9.134 ( -2.078 -1.085 0.738) 2.458 9.403 ( 3.516 -1.501 7.335) 8.272 9.572 ( -2.755 -2.169 0.012) 3.506 9.655 ( -3.201 -3.310 6.421) 7.901 9.885 ( -5.060 -4.510 14.355) 15.875 10.034 ( -3.975 -0.075 -8.086) 9.010 10.276 ( 1.326 -3.437 -15.246) 15.685 10.574 ( 0.068 1.379 -4.025) 4.255 10.656 ( -1.668 3.504 -8.590) 9.426 11.064 ( 4.161 9.287 -2.657) 10.517 11.276 ( 9.255 2.073 -4.714) 10.591 11.481 ( 2.388 5.637 -9.863) 11.608 11.553 ( 4.551 4.922 -9.716) 11.804 11.608 ( 5.672 9.712 -1.154) 11.306 11.764 ( 9.326 3.298 -7.520) 12.426 11.940 ( 13.363 -1.984 -7.747) 15.573 12.601 ( -8.071 -3.819 7.261) 11.509 12.858 ( -8.142 -5.829 -4.016) 10.788 21.574 ( 2.542 2.795 6.574) 7.583 21.743 ( 6.003 4.229 3.951) 8.338 21.842 ( 5.758 0.696 -2.402) 6.278 21.995 ( 6.495 5.502 -4.410) 9.587 22.208 ( -1.689 1.536 5.653) 6.096 22.349 ( 2.756 -0.398 4.614) 5.389 22.388 ( 2.011 1.143 4.409) 4.979 22.457 ( -0.820 -3.957 -4.887) 6.342 22.582 ( 1.718 -0.016 -2.301) 2.872 22.623 ( 1.750 0.567 -4.938) 5.270 23.111 ( -2.982 -1.767 4.817) 5.934 23.193 ( -0.827 -0.782 3.899) 4.062 23.284 ( -3.165 -3.067 -0.803) 4.480 23.387 ( -4.317 1.341 -3.442) 5.682 23.714 ( -5.405 -0.977 8.105) 9.790 23.825 ( -5.018 -1.569 4.006) 6.610 24.072 ( 2.218 4.310 8.995) 10.218 24.214 ( 1.821 1.479 3.269) 4.023 24.353 ( 1.425 -3.063 9.014) 9.626 24.463 ( 5.466 0.806 5.697) 7.936 24.673 ( -4.214 1.180 2.127) 4.866 24.719 ( -1.578 -0.463 5.588) 5.825 24.853 ( -0.989 -1.327 -2.408) 2.922 24.995 ( 1.468 -0.755 -7.534) 7.713 25.070 ( -0.541 -0.197 -7.028) 7.052 25.105 ( -0.084 -1.316 -8.369) 8.473 25.783 ( -3.311 -1.251 2.811) 4.520 25.872 ( -3.664 -4.534 0.461) 5.847 26.067 ( 0.715 -5.767 1.343) 5.964 26.133 ( -0.235 4.177 0.466) 4.209 26.298 ( -0.207 1.717 0.184) 1.739 26.338 ( 0.519 1.631 -0.397) 1.757 ======================= Grid point 168 (36/52) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 1.851 10.633 21.963) 24.472 3.039 ( -9.506 -4.412 4.079) 11.246 3.075 ( 15.293 3.094 10.283) 18.686 3.347 ( -8.889 1.981 -2.223) 9.374 3.993 ( 0.499 3.358 -0.889) 3.509 4.120 ( -1.481 -4.687 2.074) 5.335 4.198 ( -3.761 -1.314 -4.873) 6.295 4.365 ( -3.799 -2.805 -8.987) 10.152 4.566 ( 5.694 -0.625 9.988) 11.514 4.734 ( 10.385 -6.376 5.299) 13.288 4.904 ( -1.738 1.988 6.809) 7.303 5.070 ( 5.355 -5.432 14.413) 16.307 5.232 ( -1.316 -7.602 9.819) 12.487 5.406 ( -2.583 2.217 -1.717) 3.812 5.479 ( 0.176 8.207 2.856) 8.691 5.660 ( -3.056 -3.963 0.921) 5.088 5.932 ( -0.604 3.345 5.082) 6.114 5.984 ( 4.072 -0.272 5.795) 7.088 6.311 ( 3.069 5.765 15.798) 17.095 6.461 ( -4.910 -2.868 9.753) 11.290 6.650 ( 2.602 3.072 7.344) 8.375 6.804 ( -3.238 -7.094 11.191) 13.640 6.969 ( 1.796 -1.197 12.473) 12.658 7.207 ( -8.675 0.335 18.950) 20.844 7.429 ( 3.880 -4.138 10.011) 11.507 7.545 ( -2.113 0.866 0.149) 2.289 7.588 ( -5.173 1.797 17.162) 18.014 7.760 ( -0.130 5.445 0.350) 5.458 7.886 ( -8.661 -2.162 1.237) 9.012 7.967 ( -3.443 5.463 -8.757) 10.881 8.306 ( 2.512 -2.035 -13.996) 14.364 8.425 ( 6.391 2.988 -21.351) 22.486 8.576 ( 0.777 -2.631 -19.923) 20.111 8.718 ( -7.033 -6.602 -13.197) 16.346 9.055 ( -1.858 -2.633 27.508) 27.697 9.420 ( 6.793 -8.355 7.107) 12.902 9.534 ( 0.387 -6.232 5.625) 8.404 9.671 ( 0.708 1.916 1.477) 2.520 9.855 ( 2.684 2.877 5.292) 6.594 9.952 ( -5.572 0.832 -6.148) 8.339 10.258 ( -1.070 0.117 -16.888) 16.923 10.581 ( -0.839 1.835 -3.014) 3.627 10.656 ( -1.532 2.342 -10.801) 11.158 11.210 ( 0.527 7.900 -2.298) 8.245 11.439 ( 6.169 1.509 -3.171) 7.098 11.505 ( -0.812 0.280 -18.561) 18.581 11.686 ( 1.268 7.413 0.384) 7.530 11.742 ( -0.853 6.700 1.179) 6.856 11.942 ( 7.226 0.132 -4.971) 8.772 12.085 ( 7.436 -6.277 -5.971) 11.417 12.459 ( -3.714 -0.968 4.350) 5.801 12.666 ( -5.496 -5.096 -4.499) 8.741 21.632 ( 0.820 2.055 6.576) 6.939 21.823 ( 2.142 -0.602 -0.336) 2.250 21.982 ( 5.030 4.754 3.849) 7.919 22.089 ( -1.820 0.818 1.387) 2.430 22.242 ( 4.485 2.862 -0.526) 5.346 22.363 ( -2.356 -2.612 -3.216) 4.766 22.396 ( 1.086 -1.273 3.081) 3.506 22.437 ( 1.166 -0.287 3.122) 3.345 22.604 ( 1.635 -1.077 -0.292) 1.980 22.652 ( 1.780 -2.012 -2.850) 3.916 23.051 ( -1.546 -1.273 3.660) 4.173 23.160 ( 1.556 -5.296 0.305) 5.528 23.243 ( -1.699 3.930 -0.219) 4.287 23.300 ( -6.518 2.127 -2.713) 7.374 23.664 ( -2.103 2.675 8.130) 8.813 23.748 ( -2.682 0.191 4.187) 4.976 24.170 ( 3.373 4.107 8.756) 10.242 24.243 ( 0.263 0.647 4.642) 4.694 24.312 ( -1.706 -3.977 7.150) 8.358 24.540 ( 2.646 -0.541 6.425) 6.970 24.650 ( -0.161 2.453 0.699) 2.556 24.685 ( -1.600 -0.744 3.927) 4.305 24.814 ( -1.313 -1.357 0.180) 1.897 24.999 ( 1.104 -2.235 -5.181) 5.750 25.065 ( 0.719 -1.253 -8.826) 8.943 25.097 ( -0.530 0.619 -7.205) 7.251 25.745 ( -0.358 0.164 0.395) 0.558 25.782 ( -1.772 -3.167 -0.823) 3.721 26.033 ( 1.924 -5.234 3.296) 6.477 26.167 ( -0.862 3.695 -1.650) 4.137 26.292 ( -0.291 -0.596 2.316) 2.409 26.363 ( -0.894 3.046 -0.509) 3.215 ======================= Grid point 173 (37/52) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 5.721 9.909 24.612) 27.142 2.658 ( 3.041 5.267 28.975) 29.606 3.483 ( -7.811 -13.529 -7.238) 17.217 3.532 ( -0.947 -1.640 -6.425) 6.698 3.830 ( 2.428 4.205 -4.000) 6.291 4.116 ( -1.599 -2.769 -5.429) 6.300 4.254 ( 3.149 5.454 5.122) 8.117 4.354 ( -0.893 -1.547 -8.430) 8.617 4.506 ( 4.325 7.491 -6.694) 10.938 4.690 ( 2.216 3.838 -9.593) 10.567 4.826 ( 2.248 3.893 23.287) 23.716 4.933 ( -5.529 -9.576 19.435) 22.360 5.186 ( -0.020 -0.035 24.687) 24.687 5.411 ( -2.643 -4.577 17.124) 17.921 5.604 ( -7.301 -12.646 -1.580) 14.688 5.770 ( 2.514 4.354 9.750) 10.970 5.845 ( 1.324 2.293 1.446) 3.016 6.038 ( 1.173 2.031 -1.543) 2.807 6.441 ( -4.176 -7.233 12.946) 15.406 6.476 ( -1.760 -3.049 5.411) 6.455 6.709 ( -1.943 -3.365 6.882) 7.903 6.883 ( 0.408 0.706 -0.057) 0.818 6.912 ( -0.672 -1.164 27.178) 27.211 7.388 ( -1.971 -3.413 13.743) 14.297 7.422 ( -0.377 -0.654 5.531) 5.583 7.531 ( 1.539 2.665 -17.008) 17.285 7.711 ( 1.924 3.332 -1.519) 4.136 7.864 ( 1.242 2.152 -11.432) 11.699 7.928 ( -3.413 -5.912 2.524) 7.278 8.077 ( -1.237 -2.142 -9.130) 9.459 8.268 ( -3.218 -5.574 7.468) 9.858 8.360 ( -0.780 -1.350 -5.726) 5.935 8.745 ( -0.801 -1.387 -16.694) 16.770 8.784 ( -1.280 -2.217 19.826) 19.991 9.223 ( 4.136 7.164 -5.225) 9.784 9.296 ( -4.555 -7.889 -0.337) 9.116 9.494 ( -7.275 -12.601 17.701) 22.914 9.831 ( -5.480 -9.491 -3.190) 11.414 9.883 ( -1.839 -3.185 -3.630) 5.167 9.936 ( -2.354 -4.077 17.588) 18.207 10.318 ( 2.026 3.509 -13.784) 14.367 10.626 ( -0.103 -0.178 -7.502) 7.505 10.658 ( 3.159 5.471 -9.945) 11.782 11.088 ( 4.722 8.179 -3.338) 10.017 11.197 ( 4.942 8.559 -6.612) 11.892 11.527 ( 0.493 0.854 -18.927) 18.953 11.528 ( 7.610 13.181 -1.491) 15.293 11.588 ( 5.753 9.965 2.455) 11.765 11.717 ( 2.680 4.642 -8.935) 10.420 11.757 ( 4.446 7.700 -9.410) 12.946 12.655 ( -4.157 -7.201 7.664) 11.308 12.901 ( -5.035 -8.721 -3.854) 10.783 21.573 ( 2.378 4.118 7.210) 8.637 21.705 ( 4.405 7.630 3.629) 9.528 21.790 ( 2.042 3.536 -3.060) 5.103 21.965 ( 4.105 7.111 -5.571) 9.922 22.247 ( 0.711 1.232 7.764) 7.893 22.306 ( 0.266 0.461 4.137) 4.172 22.371 ( 0.989 1.714 5.009) 5.385 22.443 ( -1.879 -3.254 -5.727) 6.849 22.566 ( 0.709 1.228 -1.947) 2.409 22.615 ( 0.281 0.487 -5.267) 5.297 23.122 ( -2.100 -3.637 5.231) 6.708 23.195 ( -1.455 -2.521 3.903) 4.869 23.301 ( -1.282 -2.221 -0.153) 2.569 23.435 ( 0.176 0.305 -4.013) 4.028 23.755 ( -2.832 -4.905 7.225) 9.180 23.900 ( -1.348 -2.335 2.712) 3.824 24.034 ( 0.722 1.251 8.294) 8.419 24.212 ( 0.584 1.012 4.540) 4.688 24.362 ( 2.167 3.754 10.176) 11.061 24.380 ( 0.759 1.314 4.553) 4.800 24.720 ( -0.646 -1.119 3.108) 3.366 24.736 ( -0.719 -1.246 7.391) 7.529 24.857 ( -0.506 -0.877 -3.898) 4.027 24.972 ( -0.348 -0.602 -8.982) 9.009 25.081 ( 0.164 0.285 -7.428) 7.435 25.090 ( -1.119 -1.938 -7.481) 7.808 25.804 ( -2.441 -4.228 3.849) 6.217 25.898 ( -2.333 -4.041 3.021) 5.559 26.012 ( -2.470 -4.279 -1.476) 5.157 26.168 ( 1.653 2.864 2.604) 4.209 26.306 ( -0.480 -0.831 -1.842) 2.077 26.341 ( 2.004 3.472 -0.584) 4.051 ======================= Grid point 174 (38/52) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.536 13.106 19.111) 23.179 2.852 ( 14.478 5.975 13.540) 20.704 3.183 ( -11.342 -8.129 -1.802) 14.070 3.510 ( -3.822 4.257 -2.287) 6.161 3.925 ( 3.612 1.325 -4.422) 5.861 4.071 ( 1.796 -11.088 -0.530) 11.245 4.246 ( -5.282 4.450 1.395) 7.046 4.410 ( 6.732 -2.924 2.552) 7.771 4.496 ( -3.660 -6.904 0.109) 7.815 4.619 ( -6.406 0.362 2.412) 6.855 4.830 ( 0.550 -6.278 14.126) 15.468 4.936 ( 5.558 -4.168 8.775) 11.192 5.219 ( 1.873 2.175 6.707) 7.296 5.361 ( -1.130 -5.611 0.878) 5.791 5.559 ( 8.572 8.753 21.713) 24.931 5.796 ( -6.241 6.860 7.757) 12.091 5.872 ( -0.502 -2.389 4.294) 4.939 6.015 ( -1.677 3.246 -0.616) 3.705 6.369 ( -1.839 3.135 9.521) 10.191 6.470 ( 2.376 -2.846 4.531) 5.855 6.656 ( -2.563 0.947 6.501) 7.052 6.825 ( -3.543 -1.949 10.197) 10.969 6.912 ( 2.574 -2.596 16.495) 16.895 7.332 ( -4.016 -2.169 19.586) 20.111 7.363 ( -1.545 -3.005 15.781) 16.138 7.574 ( -1.148 0.722 -8.924) 9.026 7.629 ( -5.591 -7.042 8.021) 12.049 7.841 ( -3.016 0.186 1.710) 3.472 7.876 ( 1.668 -4.862 -5.576) 7.584 8.117 ( 1.417 6.619 -11.653) 13.476 8.218 ( 0.742 -2.169 -6.816) 7.191 8.311 ( 0.739 -0.651 -16.386) 16.416 8.666 ( -5.197 -1.113 -18.609) 19.353 8.760 ( 0.387 -1.774 9.452) 9.624 9.101 ( -9.168 -1.708 5.688) 10.923 9.265 ( 1.351 -10.766 6.779) 12.794 9.391 ( 2.744 -6.120 1.042) 6.787 9.640 ( -2.901 -7.235 13.471) 15.564 9.810 ( 2.249 -6.235 -6.054) 8.977 9.965 ( 2.771 1.764 2.751) 4.285 10.390 ( -4.985 12.266 -11.731) 17.690 10.634 ( 1.387 2.174 -7.872) 8.284 10.743 ( -0.032 4.442 -12.683) 13.439 11.253 ( 3.398 9.028 1.631) 9.783 11.385 ( 3.633 8.537 -6.854) 11.535 11.529 ( -0.221 1.209 -22.687) 22.721 11.714 ( 3.394 6.500 1.391) 7.464 11.780 ( 6.010 5.472 -0.953) 8.183 11.849 ( 5.209 5.533 -1.587) 7.763 11.893 ( 6.062 -1.752 -6.785) 9.265 12.507 ( -4.537 -4.819 5.747) 8.765 12.699 ( -6.494 -9.384 -4.018) 12.099 21.656 ( 1.347 5.008 6.890) 8.624 21.786 ( 1.749 0.814 -0.602) 2.021 21.948 ( 6.049 8.161 3.088) 10.618 22.094 ( 3.319 4.010 -4.266) 6.730 22.253 ( -2.106 2.426 5.252) 6.157 22.334 ( 3.349 -1.793 4.161) 5.634 22.374 ( -2.200 -2.506 -2.950) 4.453 22.405 ( 1.733 -0.723 2.993) 3.533 22.590 ( 0.627 1.107 0.303) 1.308 22.621 ( 0.536 -0.268 -3.178) 3.234 23.038 ( -2.140 -4.961 3.453) 6.412 23.093 ( -1.872 -7.608 1.252) 7.935 23.315 ( -0.292 4.660 -0.021) 4.669 23.414 ( -3.159 1.165 -4.886) 5.934 23.709 ( -0.639 1.712 8.027) 8.232 23.835 ( -4.770 0.921 1.973) 5.244 24.058 ( 3.968 -5.286 6.910) 9.562 24.240 ( 1.750 1.778 7.028) 7.457 24.370 ( -3.144 3.612 6.632) 8.181 24.467 ( 4.919 -0.430 6.278) 7.987 24.692 ( -2.026 0.262 4.964) 5.368 24.712 ( -0.563 0.272 4.427) 4.471 24.829 ( -2.153 -0.819 -2.197) 3.183 24.950 ( 0.833 -3.385 -7.422) 8.200 25.052 ( -0.761 -1.436 -7.452) 7.627 25.096 ( 0.708 0.054 -6.875) 6.912 25.737 ( -0.810 -2.459 1.361) 2.925 25.809 ( -3.453 -2.370 1.017) 4.310 25.958 ( 0.720 -4.268 1.994) 4.766 26.213 ( 0.055 3.194 0.794) 3.292 26.287 ( -0.348 -1.217 -0.466) 1.349 26.393 ( 0.564 2.508 -0.786) 2.688 ======================= Grid point 175 (39/52) ======================= q-point: ( 0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -3.132 5.425 15.172) 16.414 2.953 ( 1.385 -2.399 0.562) 2.827 3.141 ( -2.741 4.747 3.570) 6.542 3.471 ( -5.553 9.618 6.877) 13.062 3.949 ( 4.353 -7.540 5.440) 10.267 3.982 ( 3.328 -5.764 -4.899) 8.264 4.273 ( -2.402 4.160 1.028) 4.912 4.347 ( -0.849 1.470 -8.553) 8.719 4.478 ( 4.370 -7.569 11.392) 14.359 4.592 ( 4.125 -7.145 1.432) 8.374 4.811 ( 2.189 -3.792 8.728) 9.765 4.918 ( 4.537 -7.858 18.081) 20.230 5.259 ( -2.710 4.694 7.082) 8.918 5.345 ( 3.473 -6.016 -2.445) 7.364 5.662 ( -3.035 5.256 4.354) 7.469 5.764 ( -6.968 12.068 3.452) 14.356 5.890 ( 2.157 -3.737 6.660) 7.935 6.049 ( -2.430 4.209 0.034) 4.860 6.419 ( 0.559 -0.969 12.965) 13.013 6.423 ( -1.382 2.393 12.456) 12.758 6.648 ( -0.017 0.030 4.126) 4.126 6.778 ( -2.132 3.692 12.377) 13.091 6.938 ( 1.124 -1.948 16.036) 16.193 7.241 ( -2.197 3.806 22.693) 23.115 7.311 ( 2.559 -4.432 14.717) 15.582 7.547 ( 0.269 -0.467 -2.383) 2.443 7.554 ( 3.370 -5.837 16.669) 17.980 7.802 ( 0.541 -0.937 3.455) 3.621 7.869 ( 1.382 -2.393 -4.164) 4.997 8.159 ( -5.873 10.172 -12.337) 17.034 8.204 ( 1.167 -2.021 -15.090) 15.270 8.399 ( 3.059 -5.299 -23.507) 24.290 8.578 ( -0.380 0.659 -13.038) 13.060 8.766 ( -4.126 7.146 -23.413) 24.825 8.968 ( 3.010 -5.213 31.359) 31.932 9.234 ( 2.917 -5.052 1.467) 6.015 9.370 ( 3.765 -6.521 1.788) 7.739 9.577 ( 4.517 -7.823 25.051) 26.630 9.812 ( 7.369 -12.763 -19.221) 24.221 10.014 ( -5.027 8.707 6.788) 12.130 10.395 ( -6.672 11.555 -13.220) 18.783 10.678 ( -1.549 2.683 -7.021) 7.674 10.755 ( -3.421 5.925 -13.489) 15.125 11.339 ( -2.661 4.610 2.444) 5.857 11.455 ( -2.041 3.536 -4.001) 5.716 11.536 ( -1.485 2.572 -24.228) 24.409 11.820 ( -0.144 0.250 -1.170) 1.205 11.847 ( -2.990 5.179 -0.445) 5.997 11.915 ( 5.222 -9.045 -2.964) 10.857 11.940 ( -0.115 0.200 0.355) 0.423 12.446 ( 0.182 -0.315 2.670) 2.695 12.565 ( 2.404 -4.163 -3.824) 6.143 21.697 ( -2.229 3.861 6.529) 7.906 21.806 ( 0.420 -0.728 0.110) 0.848 22.079 ( -1.887 3.269 3.334) 5.037 22.118 ( -1.594 2.761 1.250) 3.424 22.275 ( 0.316 -0.548 -1.144) 1.308 22.295 ( 1.237 -2.143 -2.209) 3.317 22.368 ( 0.940 -1.627 3.416) 3.899 22.421 ( 1.168 -2.023 3.695) 4.372 22.605 ( -0.725 1.256 1.490) 2.079 22.626 ( 0.163 -0.282 -1.703) 1.734 22.986 ( 2.200 -3.810 3.032) 5.343 23.030 ( 3.494 -6.052 0.295) 6.994 23.360 ( -3.081 5.336 -3.175) 6.931 23.366 ( -2.335 4.045 -2.070) 5.109 23.733 ( -2.197 3.805 8.089) 9.205 23.779 ( -1.409 2.440 1.142) 3.040 24.065 ( 5.041 -8.731 6.568) 12.032 24.287 ( -0.452 0.783 4.106) 4.204 24.341 ( -2.564 4.441 9.655) 10.932 24.511 ( 1.441 -2.496 7.113) 7.674 24.671 ( -0.106 0.184 7.061) 7.064 24.723 ( -2.186 3.786 -2.292) 4.936 24.788 ( 0.501 -0.867 0.985) 1.404 24.941 ( 2.048 -3.548 -5.710) 7.027 25.039 ( 0.321 -0.555 -7.659) 7.685 25.102 ( 0.410 -0.710 -6.842) 6.891 25.725 ( 0.702 -1.215 -0.198) 1.417 25.758 ( 0.045 -0.078 0.648) 0.654 25.943 ( 1.976 -3.423 3.459) 5.252 26.231 ( -1.382 2.393 -1.376) 3.087 26.276 ( 0.419 -0.726 1.437) 1.664 26.411 ( -0.942 1.631 -0.959) 2.114 ======================= Grid point 182 (40/52) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 1.887 3.268 7.775) 8.642 2.931 ( -3.084 -5.342 -1.110) 6.268 3.236 ( 8.956 15.512 6.078) 18.914 3.620 ( 3.089 5.350 6.689) 9.105 3.862 ( -5.021 -8.696 2.470) 10.341 3.873 ( -4.737 -8.204 3.217) 10.004 4.279 ( 0.243 0.420 7.926) 7.941 4.378 ( 0.227 0.392 1.766) 1.823 4.382 ( -1.695 -2.935 -2.538) 4.234 4.521 ( -2.827 -4.897 -0.703) 5.698 4.817 ( 0.311 0.539 13.947) 13.961 4.826 ( -0.989 -1.713 7.366) 7.627 5.271 ( -0.917 -1.588 1.888) 2.632 5.286 ( -0.243 -0.421 10.409) 10.421 5.674 ( -4.001 -6.929 1.391) 8.121 5.852 ( 8.688 15.049 7.306) 18.850 5.967 ( 2.632 4.558 8.510) 10.006 6.092 ( 0.556 0.962 -1.780) 2.098 6.388 ( -0.517 -0.895 12.443) 12.486 6.429 ( -1.074 -1.861 9.024) 9.276 6.712 ( 2.116 3.665 3.641) 5.583 6.807 ( -0.982 -1.700 -3.019) 3.602 6.905 ( 1.833 3.175 33.904) 34.102 7.269 ( -0.377 -0.652 15.606) 15.624 7.355 ( -0.504 -0.873 25.893) 25.913 7.419 ( -5.767 -9.988 14.931) 18.866 7.539 ( -1.858 -3.218 -4.290) 5.676 7.784 ( -0.983 -1.703 -1.932) 2.757 7.804 ( -1.718 -2.976 0.516) 3.475 8.241 ( 1.258 2.179 -24.965) 25.091 8.278 ( 1.978 3.427 -12.369) 12.987 8.296 ( 1.073 1.858 -17.866) 17.994 8.645 ( 0.610 1.056 -18.387) 18.428 8.737 ( 0.135 0.234 4.957) 4.964 8.938 ( -6.587 -11.409 16.761) 21.319 9.240 ( 3.307 5.727 -4.960) 8.267 9.327 ( -0.989 -1.713 -5.964) 6.283 9.488 ( -2.867 -4.966 33.247) 33.738 9.601 ( -5.275 -9.136 -19.823) 22.456 10.125 ( 4.311 7.468 7.470) 11.409 10.606 ( 2.527 4.376 -10.433) 11.593 10.610 ( -0.361 -0.625 -10.079) 10.105 10.822 ( 1.507 2.611 -14.484) 14.794 11.385 ( 1.895 3.282 4.970) 6.250 11.573 ( 2.415 4.183 -17.639) 18.289 11.589 ( 4.880 8.452 -7.973) 12.602 11.707 ( -1.704 -2.952 -9.010) 9.633 11.799 ( -2.517 -4.360 -9.299) 10.574 11.932 ( 1.869 3.237 4.676) 5.986 11.946 ( 1.777 3.078 5.610) 6.641 12.443 ( -0.409 -0.709 1.728) 1.912 12.522 ( -4.003 -6.934 -2.846) 8.497 21.749 ( 1.969 3.411 5.677) 6.909 21.795 ( -0.065 -0.112 1.808) 1.813 22.111 ( 4.050 7.014 2.645) 8.520 22.156 ( 1.241 2.150 -2.508) 3.529 22.263 ( -1.241 -2.149 -0.058) 2.482 22.268 ( -1.699 -2.942 2.815) 4.412 22.369 ( -0.681 -1.179 3.097) 3.382 22.371 ( 0.081 0.140 1.474) 1.483 22.627 ( 1.014 1.756 2.507) 3.225 22.629 ( 0.517 0.896 -1.019) 1.452 22.943 ( -1.944 -3.367 1.707) 4.246 22.959 ( -2.590 -4.485 0.823) 5.244 23.402 ( 1.839 3.184 -1.995) 4.183 23.432 ( 0.146 0.253 -4.055) 4.065 23.775 ( 2.554 4.423 5.964) 7.852 23.842 ( -0.382 -0.661 1.072) 1.316 23.932 ( -3.167 -5.485 7.656) 9.936 24.286 ( 1.171 2.028 3.034) 3.833 24.422 ( 0.213 0.369 8.008) 8.019 24.453 ( -0.000 -0.000 10.346) 10.346 24.676 ( -0.582 -1.009 7.400) 7.491 24.752 ( 1.956 3.388 0.358) 3.929 24.814 ( -0.901 -1.561 0.504) 1.872 24.879 ( -1.604 -2.777 -7.965) 8.586 25.044 ( 0.419 0.725 -7.360) 7.408 25.083 ( -0.749 -1.297 -6.818) 6.980 25.715 ( 0.219 0.379 0.302) 0.532 25.756 ( -1.472 -2.550 0.728) 3.033 25.907 ( -0.596 -1.032 3.443) 3.643 26.256 ( 0.635 1.100 0.492) 1.362 26.268 ( -0.330 -0.571 -0.766) 1.011 26.427 ( 0.483 0.837 -1.104) 1.468 ======================= Grid point 186 (41/52) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -0.707 1.225 33.848) 33.877 2.735 ( -6.299 10.910 24.188) 27.272 3.412 ( 5.154 -8.928 -2.749) 10.669 3.432 ( 6.987 -12.101 -15.319) 20.735 3.927 ( 0.662 -1.146 3.090) 3.361 4.103 ( -7.359 12.747 0.789) 14.740 4.214 ( 0.297 -0.515 4.899) 4.935 4.312 ( -0.224 0.389 -11.596) 11.605 4.594 ( -3.825 6.625 -5.865) 9.640 4.700 ( -3.564 6.173 -7.363) 10.248 5.022 ( 2.679 -4.641 16.010) 16.883 5.061 ( -3.667 6.351 19.754) 21.071 5.251 ( 0.146 -0.253 18.294) 18.297 5.393 ( 5.848 -10.129 -1.833) 11.839 5.527 ( 1.806 -3.128 14.900) 15.331 5.691 ( -3.996 6.921 6.990) 10.617 5.778 ( 0.527 -0.912 3.617) 3.767 6.087 ( 0.905 -1.567 0.843) 1.996 6.234 ( 5.754 -9.966 13.155) 17.477 6.664 ( 2.034 -3.524 6.420) 7.601 6.769 ( 1.803 -3.122 9.275) 9.951 6.890 ( -1.544 2.674 0.184) 3.093 6.926 ( 0.466 -0.808 16.967) 16.993 7.239 ( 0.929 -1.608 11.132) 11.286 7.377 ( 2.227 -3.858 11.386) 12.227 7.478 ( 0.472 -0.818 -7.394) 7.454 7.755 ( 0.664 -1.151 -2.921) 3.209 7.785 ( 1.685 -2.918 -8.258) 8.919 8.002 ( 6.293 -10.900 5.953) 13.923 8.042 ( -2.033 3.521 -13.039) 13.659 8.346 ( 0.544 -0.942 5.988) 6.086 8.379 ( 2.313 -4.006 -6.181) 7.721 8.631 ( -1.823 3.157 -10.144) 10.780 8.963 ( 0.801 -1.387 19.248) 19.314 9.107 ( -3.043 5.271 -13.920) 15.192 9.405 ( 0.307 -0.532 -4.872) 4.910 9.526 ( 4.639 -8.035 26.305) 27.893 9.778 ( 5.170 -8.955 1.007) 10.389 9.812 ( 5.105 -8.842 -5.873) 11.779 10.181 ( 0.875 -1.516 -12.557) 12.678 10.272 ( -1.720 2.979 1.290) 3.674 10.559 ( -1.662 2.878 -5.272) 6.232 10.648 ( -0.427 0.740 -0.759) 1.143 10.947 ( -1.377 2.386 -5.913) 6.523 11.293 ( -1.937 3.356 3.405) 5.158 11.356 ( -6.616 11.460 -7.814) 15.368 11.500 ( -3.890 6.737 1.352) 7.896 11.517 ( -1.169 2.024 -23.405) 23.521 11.727 ( -5.259 9.109 -9.226) 13.991 11.960 ( -7.429 12.867 -7.661) 16.716 12.641 ( 4.655 -8.064 7.491) 11.950 12.918 ( 4.337 -7.513 -3.875) 9.501 21.548 ( -1.914 3.315 5.886) 7.021 21.686 ( -3.802 6.585 6.364) 9.916 21.870 ( -2.245 3.889 -4.914) 6.657 21.910 ( -4.279 7.412 -3.826) 9.375 22.193 ( 0.809 -1.401 5.136) 5.384 22.354 ( -1.410 2.443 4.922) 5.673 22.373 ( -0.981 1.700 4.543) 4.949 22.506 ( 0.455 -0.787 -4.392) 4.485 22.591 ( -2.160 3.742 -5.976) 7.374 22.601 ( -0.525 0.910 -3.875) 4.015 23.120 ( 2.405 -4.165 5.106) 7.014 23.198 ( -0.033 0.058 5.460) 5.460 23.326 ( 2.582 -4.472 -2.715) 5.834 23.377 ( 1.313 -2.274 -1.178) 2.877 23.712 ( 4.229 -7.324 7.844) 11.535 23.934 ( 0.977 -1.692 9.877) 10.068 23.935 ( 1.656 -2.867 2.435) 4.110 24.198 ( -1.792 3.104 6.044) 7.027 24.421 ( -2.890 5.005 6.833) 8.949 24.433 ( -1.867 3.233 7.520) 8.396 24.659 ( 2.810 -4.867 1.523) 5.822 24.723 ( 0.604 -1.046 4.838) 4.987 24.869 ( 0.420 -0.728 -1.610) 1.817 24.994 ( -1.026 1.778 -8.589) 8.831 25.075 ( 0.393 -0.680 -6.609) 6.655 25.122 ( 0.229 -0.396 -9.103) 9.114 25.793 ( 2.269 -3.930 2.537) 5.199 25.950 ( 2.141 -3.708 1.855) 4.666 26.050 ( 0.123 -0.213 0.026) 0.248 26.182 ( -0.419 0.725 0.446) 0.948 26.225 ( -0.391 0.677 0.296) 0.835 26.335 ( 0.056 -0.097 0.087) 0.142 ======================= Grid point 194 (42/52) ======================= q-point: (-0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -6.015 3.037 25.931) 26.792 2.964 ( -6.190 3.589 9.866) 12.188 3.188 ( 8.261 0.552 3.412) 8.955 3.312 ( -1.445 -4.634 -1.483) 5.076 3.889 ( -1.105 -6.995 -0.058) 7.082 4.159 ( 2.514 -5.218 0.435) 5.809 4.279 ( 2.817 7.874 -5.156) 9.825 4.388 ( -4.173 1.640 2.432) 5.101 4.619 ( 7.289 -0.159 2.258) 7.632 4.766 ( -4.562 -4.885 -0.371) 6.694 4.875 ( 4.482 3.828 6.040) 8.440 5.054 ( -3.915 -8.459 10.076) 13.726 5.314 ( -1.262 7.708 4.600) 9.065 5.366 ( -5.960 4.206 -3.121) 7.934 5.513 ( 5.881 5.606 7.509) 11.063 5.750 ( -0.161 -0.171 9.927) 9.930 5.923 ( 0.207 1.764 11.950) 12.081 5.992 ( 2.840 5.929 3.141) 7.286 6.187 ( -7.310 -2.134 13.669) 15.647 6.563 ( 7.240 -2.368 10.639) 13.085 6.621 ( 3.671 -3.521 8.972) 10.314 6.895 ( 1.973 -0.211 7.222) 7.490 6.955 ( -2.592 -1.575 5.855) 6.594 7.186 ( 0.653 -5.939 18.776) 19.704 7.377 ( -4.292 -1.217 9.124) 10.156 7.459 ( -0.897 -4.788 6.157) 7.851 7.609 ( 4.734 -6.892 5.606) 10.067 7.747 ( 4.824 -4.858 4.639) 8.270 7.821 ( -0.799 -3.613 -6.418) 7.408 8.076 ( 7.716 1.834 -2.171) 8.223 8.285 ( 1.178 -2.845 -9.904) 10.371 8.359 ( -3.661 3.521 -15.746) 16.545 8.696 ( 0.942 3.936 -11.136) 11.848 8.877 ( 7.290 1.858 -1.589) 7.689 9.075 ( 3.934 -7.050 -4.587) 9.285 9.430 ( -1.708 -5.057 30.450) 30.914 9.487 ( -5.477 -1.374 -8.339) 10.071 9.615 ( 0.426 -8.443 -0.206) 8.456 9.776 ( -3.170 2.216 -5.728) 6.912 10.081 ( 6.249 3.926 -9.693) 12.183 10.311 ( 5.232 2.949 -8.255) 10.208 10.621 ( -3.762 -0.207 -5.131) 6.366 10.662 ( 2.653 6.226 4.185) 7.957 11.060 ( -7.034 2.063 -2.783) 7.841 11.356 ( -4.697 0.076 1.791) 5.028 11.507 ( -0.009 0.708 -10.593) 10.617 11.571 ( -4.836 -2.036 -9.214) 10.603 11.645 ( -5.500 7.029 -6.949) 11.311 11.935 ( -5.851 9.511 -3.696) 11.762 12.163 ( -2.892 8.589 -6.913) 11.398 12.479 ( 4.263 -5.851 5.344) 8.998 12.742 ( 6.532 -7.158 -4.316) 10.608 21.620 ( -1.664 3.753 5.646) 6.981 21.800 ( -3.688 1.870 4.716) 6.272 21.944 ( -1.889 4.385 0.051) 4.774 22.075 ( -3.656 5.190 -1.312) 6.483 22.183 ( -2.528 -0.029 1.371) 2.876 22.383 ( 0.059 0.223 2.252) 2.264 22.401 ( -0.635 0.494 2.826) 2.938 22.470 ( 2.271 -0.694 -2.850) 3.710 22.634 ( -0.567 4.148 -1.695) 4.517 22.682 ( -2.046 4.397 -4.880) 6.880 23.026 ( 1.405 -6.163 3.332) 7.146 23.185 ( 1.522 -4.834 0.934) 5.153 23.227 ( 1.663 -1.328 0.303) 2.150 23.316 ( 3.178 -1.606 0.640) 3.618 23.617 ( 0.134 -3.839 8.903) 9.696 23.817 ( 6.913 2.353 5.218) 8.976 24.005 ( -8.637 -4.568 6.754) 11.878 24.221 ( 0.540 -2.644 6.844) 7.357 24.445 ( 4.177 5.868 6.669) 9.816 24.534 ( -3.452 2.498 7.662) 8.767 24.602 ( -1.499 -1.258 0.509) 2.022 24.704 ( 1.047 -0.391 3.674) 3.840 24.834 ( 1.850 -2.135 -0.039) 2.825 25.025 ( -0.460 1.204 -7.060) 7.177 25.062 ( 0.010 -0.642 -6.241) 6.274 25.108 ( 0.926 -0.088 -10.089) 10.132 25.738 ( 0.557 -1.501 0.149) 1.608 25.851 ( 4.393 -2.045 -0.547) 4.877 26.080 ( -2.545 0.025 -0.583) 2.611 26.160 ( 3.897 3.318 1.435) 5.315 26.264 ( -3.502 -2.193 1.158) 4.291 26.321 ( 0.472 -1.322 1.678) 2.188 ======================= Grid point 200 (43/52) ======================= q-point: (-0.43 0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.039 -0.067 18.741) 18.741 2.922 ( -3.617 -6.266 8.036) 10.813 3.201 ( -0.507 -0.879 0.913) 1.365 3.360 ( 6.744 11.681 7.162) 15.272 3.850 ( -5.113 -8.856 3.204) 10.716 4.046 ( -2.611 -4.522 1.187) 5.355 4.309 ( 4.432 7.676 -1.004) 8.920 4.388 ( 1.014 1.756 -3.277) 3.854 4.558 ( -3.380 -5.855 3.926) 7.818 4.685 ( -5.634 -9.758 1.463) 11.362 5.022 ( 3.433 5.946 6.420) 9.400 5.027 ( -2.683 -4.648 3.432) 6.370 5.367 ( 4.605 7.977 2.503) 9.545 5.458 ( 3.921 6.791 6.935) 10.468 5.535 ( 6.023 10.433 4.754) 12.951 5.736 ( 2.518 4.361 -4.628) 6.839 5.841 ( -2.885 -4.998 7.313) 9.316 5.960 ( -1.765 -3.058 -1.603) 3.877 6.387 ( -0.470 -0.815 17.925) 17.950 6.404 ( 0.845 1.463 16.501) 16.587 6.605 ( -2.043 -3.539 19.281) 19.710 6.863 ( 0.513 0.888 7.197) 7.269 6.986 ( -0.978 -1.693 5.194) 5.550 7.127 ( 1.373 2.379 15.097) 15.345 7.390 ( -4.820 -8.348 17.741) 20.191 7.493 ( -0.814 -1.410 2.879) 3.307 7.506 ( -3.113 -5.392 14.920) 16.167 7.719 ( -2.598 -4.501 2.831) 5.918 7.738 ( 1.673 2.898 1.332) 3.601 8.004 ( 3.333 5.773 -6.180) 9.090 8.231 ( -2.175 -3.768 -10.765) 11.611 8.525 ( 1.313 2.275 -29.156) 29.274 8.640 ( 1.407 2.436 -9.940) 10.330 8.810 ( 5.366 9.295 -25.369) 27.545 8.985 ( -4.437 -7.685 18.749) 20.743 9.432 ( -4.598 -7.965 32.050) 33.344 9.519 ( -3.140 -5.438 -3.146) 7.023 9.578 ( -3.717 -6.438 -10.144) 12.577 9.828 ( 2.340 4.054 -10.096) 11.128 10.113 ( 8.043 13.930 2.087) 16.220 10.206 ( -0.605 -1.047 -17.611) 17.653 10.661 ( -1.304 -2.259 -7.275) 7.729 10.671 ( 5.251 9.094 8.343) 13.412 11.144 ( -0.742 -1.285 -3.834) 4.111 11.456 ( -2.991 -5.181 8.616) 10.490 11.458 ( -1.154 -1.998 -12.902) 13.107 11.595 ( -2.790 -4.832 -8.372) 10.061 11.741 ( 1.588 2.751 -7.940) 8.552 12.053 ( 2.696 4.669 -2.846) 6.097 12.219 ( 1.851 3.207 -3.967) 5.426 12.426 ( 0.057 0.099 1.271) 1.276 12.618 ( -1.327 -2.299 -4.705) 5.402 21.657 ( 1.593 2.759 5.816) 6.631 21.841 ( -0.679 -1.177 2.112) 2.512 22.001 ( -0.513 -0.889 7.428) 7.499 22.087 ( 2.209 3.827 -1.363) 4.624 22.305 ( 0.489 0.846 -0.894) 1.324 22.318 ( -1.113 -1.927 -4.089) 4.655 22.412 ( 0.167 0.289 2.573) 2.594 22.446 ( -0.053 -0.091 0.548) 0.558 22.679 ( 2.928 5.072 -0.763) 5.906 22.712 ( 1.783 3.089 -2.819) 4.546 22.987 ( -2.627 -4.550 0.960) 5.341 23.108 ( -4.651 -8.056 -1.068) 9.364 23.245 ( 1.327 2.299 2.469) 3.625 23.255 ( 0.886 1.534 1.922) 2.614 23.603 ( -1.378 -2.387 8.171) 8.623 23.764 ( 2.520 4.365 5.508) 7.466 24.128 ( -2.671 -4.626 8.399) 9.954 24.129 ( -4.134 -7.161 4.469) 9.399 24.434 ( 4.444 7.698 6.308) 10.900 24.572 ( 0.481 0.834 9.629) 9.677 24.660 ( 0.369 0.640 -3.369) 3.449 24.670 ( 0.031 0.054 5.392) 5.393 24.793 ( -0.997 -1.727 1.004) 2.232 25.031 ( 0.622 1.077 -4.784) 4.943 25.066 ( -0.888 -1.537 -6.852) 7.078 25.095 ( 0.626 1.085 -11.256) 11.325 25.735 ( -0.114 -0.197 -0.840) 0.870 25.792 ( 0.156 0.270 -1.258) 1.296 26.123 ( 2.573 4.457 3.332) 6.131 26.123 ( -0.767 -1.329 -3.212) 3.559 26.290 ( -0.177 -0.306 4.085) 4.100 26.303 ( -2.015 -3.490 0.198) 4.034 ======================= Grid point 202 (44/52) ======================= q-point: (-0.29 0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -4.943 8.561 16.082) 18.877 2.831 ( 6.212 -10.759 5.563) 13.612 3.211 ( -0.294 0.509 5.188) 5.221 3.513 ( -10.402 18.016 8.656) 22.532 3.744 ( 3.081 -5.337 2.025) 6.486 3.991 ( 7.669 -13.282 2.770) 15.585 4.345 ( -0.561 0.971 3.288) 3.474 4.418 ( 1.214 -2.102 6.456) 6.897 4.513 ( 3.112 -5.390 -1.992) 6.534 4.562 ( 2.385 -4.132 -5.217) 7.069 5.011 ( -1.058 1.833 1.091) 2.381 5.022 ( -2.676 4.634 0.951) 5.435 5.476 ( -5.753 9.964 2.216) 11.717 5.603 ( -0.453 0.784 3.687) 3.797 5.638 ( -8.329 14.426 -0.197) 16.659 5.699 ( 0.678 -1.175 9.162) 9.262 5.864 ( 2.977 -5.157 3.223) 6.771 5.939 ( 4.570 -7.916 -2.853) 9.576 6.311 ( -4.362 7.555 21.568) 23.265 6.456 ( 5.090 -8.816 13.481) 16.892 6.565 ( 0.492 -0.851 28.624) 28.640 6.869 ( 0.748 -1.295 2.774) 3.152 6.909 ( 1.494 -2.588 -1.013) 3.155 7.178 ( -3.197 5.537 18.897) 19.949 7.337 ( 3.194 -5.533 20.199) 21.185 7.378 ( 0.467 -0.809 12.351) 12.386 7.501 ( 1.813 -3.140 -3.258) 4.874 7.654 ( -1.981 3.431 9.785) 10.557 7.834 ( 2.624 -4.544 -0.773) 5.304 8.094 ( -1.512 2.618 -5.716) 6.466 8.206 ( 2.306 -3.994 -8.183) 9.394 8.521 ( -5.000 8.660 -28.585) 30.284 8.668 ( 2.342 -4.056 15.684) 16.368 8.882 ( 1.136 -1.968 -22.867) 22.979 8.893 ( 4.466 -7.735 -23.267) 24.922 9.349 ( 1.060 -1.835 43.178) 43.230 9.462 ( 1.625 -2.815 -6.087) 6.900 9.473 ( 0.159 -0.275 -11.155) 11.159 9.868 ( 0.094 -0.163 -12.836) 12.837 10.192 ( -7.151 12.386 -8.560) 16.668 10.413 ( -0.178 0.308 -2.691) 2.714 10.507 ( 4.311 -7.466 -6.597) 10.856 10.804 ( -3.155 5.465 14.204) 15.542 11.151 ( -2.706 4.687 -3.984) 6.720 11.353 ( -0.681 1.180 3.770) 4.009 11.449 ( 3.375 -5.845 4.946) 8.368 11.538 ( 0.233 -0.404 -21.383) 21.388 11.772 ( -2.094 3.626 -10.685) 11.476 12.110 ( -4.102 7.106 -1.551) 8.350 12.236 ( 1.070 -1.854 -2.346) 3.176 12.441 ( -1.824 3.160 -1.356) 3.893 12.589 ( 4.192 -7.261 -4.360) 9.450 21.708 ( -2.451 4.245 4.770) 6.839 21.802 ( 0.914 -1.582 4.260) 4.635 21.989 ( -0.313 0.542 7.713) 7.739 22.191 ( -1.592 2.757 -3.250) 4.550 22.213 ( -3.015 5.222 -2.128) 6.395 22.343 ( 2.424 -4.198 -0.438) 4.867 22.415 ( -0.463 0.802 1.054) 1.403 22.442 ( 0.775 -1.342 -0.437) 1.609 22.735 ( -2.878 4.984 -1.821) 6.037 22.781 ( -2.589 4.484 -5.473) 7.534 22.910 ( 2.097 -3.632 3.039) 5.180 23.009 ( 5.216 -9.035 -0.196) 10.435 23.256 ( -0.990 1.715 3.827) 4.309 23.288 ( 0.813 -1.409 3.069) 3.474 23.576 ( 0.376 -0.652 8.317) 8.351 23.891 ( -1.377 2.386 3.849) 4.733 23.951 ( -1.100 1.905 6.486) 6.849 24.102 ( 4.441 -7.692 6.745) 11.153 24.552 ( -1.218 2.109 9.576) 9.881 24.563 ( -1.179 2.041 9.586) 9.872 24.637 ( -2.316 4.012 -0.674) 4.681 24.695 ( 0.427 -0.739 1.112) 1.401 24.764 ( 2.494 -4.320 0.603) 5.024 25.042 ( -0.246 0.426 -6.515) 6.534 25.048 ( 0.284 -0.492 -5.339) 5.369 25.107 ( 0.009 -0.016 -12.132) 12.132 25.735 ( -0.652 1.129 -1.110) 1.712 25.792 ( 1.792 -3.104 -1.224) 3.788 26.109 ( -1.157 2.005 -3.518) 4.211 26.209 ( 0.275 -0.477 1.235) 1.352 26.226 ( -0.286 0.495 2.510) 2.574 26.289 ( 0.903 -1.565 4.259) 4.626 ======================= Grid point 220 (45/52) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 0.000 0.000 -31.524) 31.524 3.177 ( 0.000 0.000 -31.524) 31.524 3.177 ( 0.000 -0.000 31.524) 31.524 3.177 ( 0.000 0.000 31.524) 31.524 4.008 ( 0.000 -0.000 -12.450) 12.450 4.008 ( 0.000 0.000 12.450) 12.450 4.227 ( 0.000 0.000 -10.799) 10.799 4.227 ( 0.000 0.000 -10.799) 10.799 4.227 ( 0.000 -0.000 10.799) 10.799 4.227 ( -0.000 0.000 10.799) 10.799 5.194 ( 0.000 0.000 -21.287) 21.287 5.194 ( 0.000 -0.000 21.287) 21.287 5.644 ( 0.000 0.000 -11.914) 11.914 5.644 ( 0.000 0.000 -11.914) 11.914 5.644 ( 0.000 0.000 11.914) 11.914 5.644 ( 0.000 0.000 11.914) 11.914 6.143 ( 0.000 0.000 -26.450) 26.450 6.143 ( 0.000 -0.000 26.450) 26.450 6.826 ( -0.000 -0.000 -6.259) 6.259 6.826 ( 0.000 0.000 -6.259) 6.259 6.826 ( 0.000 0.000 6.259) 6.259 6.826 ( 0.000 0.000 6.259) 6.259 7.137 ( 0.000 0.000 -2.967) 2.967 7.137 ( 0.000 -0.000 2.967) 2.967 7.457 ( 0.000 -0.000 -21.047) 21.047 7.457 ( 0.000 -0.000 21.047) 21.047 7.848 ( 0.000 -0.000 -12.644) 12.644 7.848 ( -0.000 0.000 -12.644) 12.644 7.848 ( 0.000 -0.000 12.644) 12.644 7.848 ( 0.000 0.000 12.644) 12.644 8.567 ( 0.000 -0.000 -10.621) 10.621 8.567 ( -0.000 0.000 -10.621) 10.621 8.567 ( 0.000 0.000 10.621) 10.621 8.567 ( 0.000 0.000 10.621) 10.621 9.441 ( 0.000 0.000 -14.002) 14.002 9.441 ( 0.000 -0.000 14.002) 14.002 10.026 ( 0.000 -0.000 -8.047) 8.047 10.026 ( 0.000 0.000 -8.047) 8.047 10.026 ( 0.000 -0.000 8.047) 8.047 10.026 ( 0.000 0.000 8.047) 8.047 10.408 ( 0.000 -0.000 -15.755) 15.755 10.408 ( 0.000 0.000 15.755) 15.755 10.773 ( 0.000 0.000 -10.956) 10.956 10.773 ( 0.000 -0.000 10.956) 10.956 11.075 ( 0.000 0.000 -8.259) 8.259 11.075 ( 0.000 -0.000 8.259) 8.259 11.287 ( 0.000 0.000 -8.434) 8.434 11.287 ( 0.000 0.000 -8.434) 8.434 11.287 ( 0.000 -0.000 8.434) 8.434 11.287 ( 0.000 0.000 8.434) 8.434 12.981 ( 0.000 -0.000 -6.379) 6.379 12.981 ( 0.000 0.000 6.379) 6.379 21.624 ( 0.000 0.000 -6.968) 6.968 21.624 ( 0.000 0.000 -6.968) 6.968 21.624 ( 0.000 -0.000 6.968) 6.968 21.624 ( 0.000 0.000 6.968) 6.968 22.396 ( 0.000 0.000 -6.745) 6.745 22.396 ( 0.000 0.000 -6.745) 6.745 22.396 ( 0.000 -0.000 6.745) 6.745 22.396 ( 0.000 0.000 6.745) 6.745 22.452 ( 0.000 -0.000 -6.115) 6.115 22.452 ( 0.000 -0.000 6.115) 6.115 23.341 ( 0.000 -0.000 -5.657) 5.657 23.341 ( -0.000 0.000 -5.657) 5.657 23.341 ( 0.000 0.000 5.657) 5.657 23.341 ( 0.000 0.000 5.657) 5.657 24.066 ( 0.000 0.000 -2.137) 2.137 24.066 ( 0.000 -0.000 2.137) 2.137 24.066 ( -0.000 0.000 -2.137) 2.137 24.066 ( 0.000 0.000 2.137) 2.137 24.428 ( 0.000 0.000 -3.551) 3.551 24.428 ( 0.000 -0.000 3.551) 3.551 24.794 ( 0.000 0.000 -0.580) 0.580 24.794 ( 0.000 0.000 0.580) 0.580 24.929 ( 0.000 0.000 -8.652) 8.652 24.929 ( 0.000 -0.000 -8.652) 8.652 24.929 ( 0.000 -0.000 8.652) 8.652 24.929 ( 0.000 0.000 8.652) 8.652 26.089 ( 0.000 -0.000 -5.626) 5.626 26.089 ( 0.000 0.000 -5.626) 5.626 26.089 ( 0.000 0.000 5.626) 5.626 26.089 ( 0.000 0.000 5.626) 5.626 26.218 ( 0.000 0.000 -4.820) 4.820 26.218 ( 0.000 -0.000 4.820) 4.820 ======================= Grid point 222 (46/52) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -6.078 -0.627 -31.163) 31.756 3.089 ( -3.582 -4.950 31.163) 31.756 3.204 ( 0.775 -0.267 -25.255) 25.268 3.204 ( 0.156 0.804 25.255) 25.268 3.998 ( -3.205 2.792 -9.944) 10.814 3.998 ( 0.816 -4.171 9.944) 10.814 4.237 ( 6.915 -1.979 -8.110) 10.841 4.237 ( 1.744 6.979 8.110) 10.841 4.326 ( 4.101 5.646 -8.935) 11.338 4.326 ( 6.941 0.729 8.935) 11.338 5.252 ( -0.720 3.175 -10.364) 10.863 5.252 ( 2.389 -2.211 10.364) 10.863 5.573 ( -3.715 -4.826 -3.875) 7.219 5.573 ( -6.037 -0.805 3.875) 7.219 5.651 ( 1.907 1.658 -8.432) 8.802 5.651 ( 2.389 0.822 8.432) 8.802 6.098 ( -2.800 -5.168 -18.562) 19.471 6.098 ( -5.876 0.160 18.562) 19.471 6.658 ( -4.596 -7.107 -8.460) 11.967 6.658 ( -8.453 -0.427 8.460) 11.967 6.814 ( 0.342 -6.202 -2.490) 6.692 6.814 ( -5.200 3.397 2.490) 6.692 7.220 ( 5.219 -4.989 -3.051) 7.838 7.220 ( -1.711 7.014 3.051) 7.838 7.507 ( 4.881 2.417 -17.877) 18.689 7.507 ( 4.534 3.019 17.877) 18.689 7.795 ( -4.400 -1.393 -6.883) 8.287 7.795 ( -3.406 -3.114 6.883) 8.287 7.869 ( 2.710 -0.101 -10.148) 10.504 7.869 ( 1.267 2.397 10.148) 10.504 8.474 ( -5.828 -1.987 -8.555) 10.541 8.474 ( -4.635 -4.054 8.555) 10.541 8.662 ( 4.339 -0.965 -14.383) 15.054 8.662 ( 1.333 4.240 14.383) 15.054 9.353 ( -4.968 -3.358 -9.372) 11.126 9.353 ( -5.392 -2.624 9.372) 11.126 9.941 ( -5.264 -5.610 -3.849) 8.602 9.941 ( -7.490 -1.754 3.849) 8.602 9.984 ( -3.219 -2.452 -6.218) 7.418 9.984 ( -3.733 -1.562 6.218) 7.418 10.420 ( 1.685 -2.206 -11.960) 12.278 10.420 ( -1.068 2.562 11.960) 12.278 10.757 ( -4.363 5.900 -15.222) 16.899 10.757 ( 2.929 -6.728 15.222) 16.899 11.066 ( 1.761 3.183 -7.094) 7.972 11.066 ( 3.637 -0.067 7.094) 7.972 11.370 ( 8.954 4.604 -7.122) 12.333 11.370 ( 8.464 5.452 7.122) 12.333 11.509 ( 14.751 1.936 -7.802) 16.799 11.509 ( 9.052 11.807 7.802) 16.799 12.916 ( -5.281 -3.355 -6.488) 9.013 12.916 ( -5.546 -2.896 6.488) 9.013 21.645 ( 3.023 -0.618 -6.110) 6.844 21.645 ( 0.976 2.927 6.110) 6.844 21.705 ( 5.603 4.896 -6.173) 9.667 21.705 ( 7.041 2.404 6.173) 9.667 22.370 ( -0.235 -2.524 -6.599) 7.070 22.370 ( -2.303 1.059 6.599) 7.070 22.422 ( 0.780 1.874 -4.659) 5.082 22.422 ( 2.013 -0.262 4.659) 5.082 22.475 ( 1.960 0.935 -4.690) 5.168 22.475 ( 1.790 1.230 4.690) 5.168 23.302 ( -2.891 -2.296 -4.808) 6.062 23.302 ( -3.434 -1.356 4.808) 6.062 23.334 ( -0.740 -0.342 -5.169) 5.232 23.334 ( -0.667 -0.470 5.169) 5.232 23.954 ( -3.958 -5.625 -2.267) 7.242 23.954 ( -6.851 -0.615 2.267) 7.242 24.142 ( 4.280 -0.775 -3.053) 5.315 24.142 ( 1.469 4.094 3.053) 5.315 24.462 ( 2.329 1.081 -1.887) 3.187 24.462 ( 2.100 1.477 1.887) 3.187 24.770 ( -1.059 -2.279 -1.264) 2.812 24.770 ( -2.503 0.223 1.264) 2.812 24.919 ( 0.588 -1.444 -5.250) 5.476 24.919 ( -0.956 1.231 5.250) 5.476 24.945 ( 0.479 0.462 -5.664) 5.703 24.945 ( 0.639 0.184 5.664) 5.703 25.980 ( -4.631 -5.629 -3.801) 8.220 25.980 ( -7.190 -1.196 3.801) 8.220 26.110 ( 2.096 -3.254 -1.166) 4.042 26.110 ( -1.770 3.442 1.166) 4.042 26.268 ( 3.835 -0.311 -2.571) 4.627 26.268 ( 1.649 3.476 2.571) 4.627 ======================= Grid point 224 (47/52) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -2.845 -1.272 -22.936) 23.147 2.995 ( -2.524 -1.828 22.936) 23.147 3.218 ( 0.808 1.511 -16.700) 16.788 3.218 ( 1.713 -0.056 16.700) 16.788 3.973 ( 0.058 -0.993 -8.466) 8.524 3.973 ( -0.830 0.547 8.466) 8.524 4.329 ( 4.081 -5.937 -5.653) 9.158 4.329 ( -3.101 6.503 5.653) 9.158 4.522 ( 12.883 4.047 -9.807) 16.689 4.522 ( 9.947 9.133 9.807) 16.689 5.140 ( -6.916 -3.207 -8.561) 11.463 5.140 ( -6.235 -4.386 8.561) 11.463 5.447 ( -8.805 1.785 -5.506) 10.537 5.447 ( -2.856 -8.518 5.506) 10.537 5.718 ( 3.035 -8.642 -6.423) 11.187 5.718 ( -5.966 6.949 6.423) 11.187 6.004 ( -0.562 -0.718 -2.250) 2.428 6.004 ( -0.903 -0.128 2.250) 2.428 6.598 ( 0.604 -4.874 -12.663) 13.582 6.598 ( -3.919 2.960 12.663) 13.582 6.766 ( 0.542 2.458 -9.790) 10.108 6.766 ( 2.400 -0.760 9.790) 10.108 7.222 ( 4.454 -7.196 -6.764) 10.834 7.222 ( -4.004 7.455 6.764) 10.834 7.601 ( 1.550 -0.284 -9.003) 9.140 7.601 ( 0.529 1.484 9.003) 9.140 7.726 ( 0.116 -0.453 -13.018) 13.026 7.726 ( -0.334 0.327 13.018) 13.026 7.935 ( 4.821 -0.738 -13.645) 14.490 7.935 ( 1.771 4.544 13.645) 14.490 8.303 ( -8.578 -5.997 -10.327) 14.704 8.303 ( -9.483 -4.430 10.327) 14.704 8.587 ( -7.777 -9.836 -16.860) 21.012 8.587 ( -12.406 -1.817 16.860) 21.012 9.322 ( 2.623 2.907 -7.846) 8.769 9.322 ( 3.829 0.818 7.846) 8.769 9.775 ( -5.812 -6.343 -3.538) 9.303 9.775 ( -8.400 -1.862 3.538) 9.303 9.915 ( -0.110 -3.771 -7.225) 8.151 9.915 ( -3.321 1.790 7.225) 8.151 10.417 ( 3.222 -6.432 -14.648) 16.319 10.417 ( -3.959 6.006 14.648) 16.319 10.743 ( -5.864 8.893 -22.867) 25.227 10.743 ( 4.769 -9.525 22.867) 25.227 11.216 ( 10.406 2.213 -4.156) 11.422 11.216 ( 7.120 7.906 4.156) 11.422 11.595 ( 11.274 1.679 -5.007) 12.450 11.595 ( 7.091 8.924 5.007) 12.450 11.766 ( 13.228 -0.538 -7.717) 15.324 11.766 ( 6.148 11.725 7.717) 15.324 12.747 ( -8.192 -5.748 -6.379) 11.868 12.747 ( -9.074 -4.220 6.379) 11.868 21.703 ( 3.864 -0.293 -5.542) 6.762 21.703 ( 1.678 3.493 5.542) 6.762 21.888 ( 8.550 5.029 -5.021) 11.117 21.888 ( 8.630 4.890 5.021) 11.117 22.335 ( -0.470 -3.482 -5.651) 6.654 22.335 ( -3.251 1.334 5.651) 6.654 22.452 ( 0.622 1.185 -2.289) 2.652 22.452 ( 1.337 -0.054 2.289) 2.652 22.535 ( 3.393 1.332 -1.736) 4.037 22.535 ( 2.850 2.272 1.736) 4.037 23.210 ( -3.512 -3.744 -3.696) 6.325 23.210 ( -4.998 -1.169 3.696) 6.325 23.303 ( -1.838 -1.442 -3.927) 4.569 23.303 ( -2.168 -0.871 3.927) 4.569 23.838 ( -2.711 -4.688 -2.736) 6.067 23.838 ( -5.415 -0.004 2.736) 6.067 24.211 ( 5.954 -2.962 -3.174) 7.369 24.211 ( 0.412 6.637 3.174) 7.369 24.495 ( -0.084 0.313 -3.312) 3.328 24.495 ( 0.229 -0.229 3.312) 3.328 24.736 ( 0.368 -2.190 -4.286) 4.828 24.736 ( -1.713 1.414 4.286) 4.828 24.908 ( -0.523 -1.342 -7.292) 7.433 24.908 ( -1.424 0.219 7.292) 7.433 24.958 ( 0.893 0.031 -3.172) 3.295 24.958 ( 0.473 0.758 3.172) 3.295 25.848 ( -3.682 -5.255 -2.444) 6.866 25.848 ( -6.392 -0.561 2.444) 6.866 26.110 ( 1.461 -2.654 0.276) 3.043 26.110 ( -1.568 2.593 -0.276) 3.043 26.317 ( 2.254 -0.537 -1.067) 2.551 26.317 ( 0.661 2.220 1.067) 2.551 ======================= Grid point 226 (48/52) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.921 -4.557 -11.248) 12.287 2.962 ( -2.986 3.942 11.248) 12.287 3.269 ( 2.638 0.740 -5.395) 6.051 3.269 ( 1.960 1.914 5.395) 6.051 3.994 ( 5.074 -3.898 -4.531) 7.840 3.994 ( -0.839 6.343 4.531) 7.840 4.230 ( -3.511 -9.322 -3.542) 10.572 4.230 ( -9.829 1.620 3.542) 10.572 4.741 ( 6.729 0.541 -4.594) 8.165 4.741 ( 3.833 5.557 4.594) 8.165 5.126 ( 6.325 -0.719 -10.940) 12.657 5.126 ( 2.540 5.837 10.940) 12.657 5.325 ( -2.956 -3.246 -5.652) 7.157 5.325 ( -4.289 -0.937 5.652) 7.157 5.603 ( -1.728 -8.395 -4.819) 9.833 5.603 ( -8.134 2.701 4.819) 9.833 5.989 ( -1.659 -1.811 -2.117) 3.243 5.989 ( -2.399 -0.531 2.117) 3.243 6.544 ( -0.168 -2.391 -1.379) 2.766 6.544 ( -2.155 1.050 1.379) 2.766 6.869 ( 2.172 3.799 -7.800) 8.944 6.869 ( 4.376 -0.019 7.800) 8.944 7.295 ( 8.274 -0.885 -14.696) 16.889 7.295 ( 3.371 7.608 14.696) 16.889 7.566 ( -0.945 -3.487 -8.082) 8.853 7.566 ( -3.493 0.925 8.082) 8.853 7.770 ( 2.563 -0.518 -14.456) 14.691 7.770 ( 0.833 2.479 14.456) 14.691 8.002 ( 1.649 1.059 -8.334) 8.562 8.002 ( 1.741 0.899 8.334) 8.562 8.109 ( -3.476 -6.931 -5.910) 9.750 8.109 ( -7.741 0.455 5.910) 9.750 8.310 ( -7.751 -9.051 -12.987) 17.625 8.310 ( -11.714 -2.187 12.987) 17.625 9.438 ( 4.305 4.254 -8.330) 10.297 9.438 ( 5.836 1.601 8.330) 10.297 9.629 ( -6.701 -0.295 -8.710) 10.994 9.629 ( -3.606 -5.656 8.710) 10.994 9.904 ( -3.430 6.384 -15.339) 16.965 9.904 ( 3.814 -6.162 15.339) 16.965 10.410 ( 4.817 -8.770 -17.430) 20.098 10.410 ( -5.186 8.556 17.430) 20.098 10.733 ( -5.766 9.395 -24.988) 27.311 10.733 ( 5.253 -9.691 24.988) 27.311 11.394 ( 7.738 -2.004 -3.987) 8.932 11.394 ( 2.134 7.703 3.987) 8.932 11.745 ( 4.998 -1.103 -3.220) 6.047 11.745 ( 1.543 4.880 3.220) 6.047 11.945 ( 8.009 -2.207 -5.886) 10.181 11.945 ( 2.093 8.039 5.886) 10.181 12.561 ( -5.098 -4.436 -5.185) 8.517 12.561 ( -6.390 -2.197 5.185) 8.517 21.756 ( 2.350 -0.932 -5.032) 5.631 21.756 ( 0.368 2.501 5.032) 5.631 22.060 ( 5.690 2.039 -3.247) 6.861 22.060 ( 4.610 3.908 3.247) 6.861 22.285 ( -1.099 -2.805 -3.521) 4.634 22.285 ( -2.979 0.451 3.521) 4.634 22.466 ( -0.067 0.663 -1.722) 1.846 22.466 ( 0.540 -0.389 1.722) 1.846 22.600 ( 2.169 0.651 -1.368) 2.646 22.600 ( 1.649 1.553 1.368) 2.646 23.130 ( -0.803 -3.415 -3.149) 4.714 23.130 ( -3.359 1.012 3.149) 4.714 23.253 ( -1.226 -1.699 -1.245) 2.437 23.253 ( -2.084 -0.212 1.245) 2.437 23.777 ( -0.130 -2.607 -1.968) 3.269 23.777 ( -2.323 1.191 1.968) 3.269 24.282 ( 5.083 -3.364 -0.858) 6.156 24.282 ( -0.371 6.084 0.858) 6.156 24.468 ( -1.160 -1.739 -7.718) 7.996 24.468 ( -2.086 -0.135 7.718) 7.996 24.739 ( 0.907 -0.419 -3.602) 3.738 24.739 ( 0.091 0.995 3.602) 3.738 24.882 ( -0.612 -0.982 -7.820) 7.906 24.882 ( -1.156 -0.039 7.820) 7.906 24.972 ( -0.310 1.359 -3.113) 3.411 24.972 ( 1.022 -0.948 3.113) 3.411 25.764 ( -0.966 -2.745 -0.900) 3.046 25.764 ( -2.860 0.536 0.900) 3.046 26.109 ( -2.234 3.754 -3.356) 5.509 26.109 ( 2.134 -3.812 3.356) 5.509 26.338 ( -0.367 1.561 -1.716) 2.349 26.338 ( 1.168 -1.098 1.716) 2.349 ======================= Grid point 236 (49/52) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -1.799 -3.116 14.140) 14.591 3.054 ( -1.721 -2.981 -20.217) 20.508 3.125 ( -2.637 -4.567 3.760) 6.477 3.283 ( 3.040 5.266 -5.363) 8.108 3.901 ( -1.872 -3.243 7.009) 7.947 4.078 ( 0.385 0.666 -0.504) 0.920 4.238 ( 1.884 3.263 -5.272) 6.480 4.292 ( 2.191 3.795 1.763) 4.723 4.496 ( 5.206 9.018 -5.096) 11.593 4.513 ( 7.618 13.194 8.538) 17.465 5.141 ( -4.587 -7.944 6.636) 11.322 5.226 ( -4.362 -7.555 6.247) 10.730 5.391 ( -5.973 -10.346 -1.247) 12.011 5.474 ( -5.901 -10.222 -8.731) 14.681 5.717 ( 3.795 6.574 8.284) 11.236 5.750 ( 2.582 4.471 -8.697) 10.115 6.017 ( 0.260 0.450 -6.786) 6.806 6.078 ( -1.902 -3.294 8.747) 9.538 6.536 ( -2.538 -4.396 -10.991) 12.106 6.638 ( 0.337 0.584 16.911) 16.925 6.765 ( 2.048 3.548 -9.760) 10.585 6.845 ( -1.322 -2.290 3.149) 4.111 7.075 ( -3.514 -6.086 -5.509) 8.929 7.311 ( 0.865 1.498 7.320) 7.522 7.576 ( 1.658 2.872 -15.179) 15.537 7.592 ( 1.245 2.157 10.964) 11.243 7.739 ( -2.054 -3.557 -16.666) 17.164 7.740 ( -0.298 -0.517 6.185) 6.214 7.865 ( 0.440 0.762 -4.013) 4.108 7.922 ( 1.466 2.539 15.119) 15.401 8.376 ( -3.197 -5.537 4.483) 7.809 8.406 ( -4.151 -7.190 -10.129) 13.097 8.498 ( -5.688 -9.852 2.038) 11.557 8.803 ( 1.534 2.657 4.455) 5.409 9.253 ( -2.918 -5.054 -6.473) 8.715 9.310 ( -0.547 -0.947 5.708) 5.812 9.757 ( -4.120 -7.135 -0.180) 8.241 9.788 ( -6.694 -11.594 -3.566) 13.855 9.865 ( -3.998 -6.924 16.193) 18.059 10.064 ( 2.859 4.952 -13.799) 14.936 10.396 ( 0.038 0.066 -13.083) 13.083 10.504 ( 1.894 3.280 3.277) 5.008 10.607 ( -2.602 -4.507 28.147) 28.624 10.876 ( 2.496 4.324 -21.307) 21.884 11.115 ( 3.297 5.710 1.906) 6.863 11.211 ( 5.848 10.129 3.316) 12.157 11.477 ( 4.197 7.269 -7.031) 10.949 11.574 ( 3.189 5.523 -4.964) 8.082 11.618 ( 7.411 12.836 0.585) 14.833 11.775 ( 7.341 12.715 9.258) 17.357 12.790 ( -5.029 -8.711 -6.418) 11.932 12.807 ( -4.416 -7.649 6.516) 10.976 21.666 ( 1.421 2.462 -5.229) 5.952 21.720 ( 2.160 3.742 6.282) 7.624 21.820 ( 5.166 8.948 4.239) 11.168 21.837 ( 4.420 7.656 -5.686) 10.511 22.319 ( -1.488 -2.577 -6.080) 6.769 22.398 ( -0.417 -0.722 3.959) 4.046 22.410 ( 0.730 1.264 5.734) 5.917 22.453 ( 0.508 0.880 -0.021) 1.016 22.511 ( 1.531 2.651 -3.194) 4.424 22.523 ( 1.957 3.390 1.185) 4.090 23.214 ( -3.453 -5.980 -2.853) 7.472 23.237 ( -2.814 -4.874 5.200) 7.663 23.323 ( -0.407 -0.705 -5.938) 5.993 23.329 ( -0.099 -0.172 2.947) 2.953 23.827 ( -3.040 -5.265 -1.907) 6.372 23.940 ( -1.369 -2.371 1.705) 3.225 24.087 ( -0.740 -1.281 -3.517) 3.816 24.257 ( 2.875 4.979 0.071) 5.750 24.475 ( -0.226 -0.392 2.779) 2.815 24.512 ( 1.714 2.969 2.024) 3.981 24.713 ( -1.038 -1.798 -3.953) 4.465 24.788 ( 0.375 0.649 -0.827) 1.116 24.881 ( -0.907 -1.571 -1.355) 2.264 24.921 ( -0.629 -1.090 6.245) 6.371 24.942 ( -0.401 -0.694 -2.232) 2.372 24.971 ( 0.941 1.629 0.335) 1.911 25.844 ( -3.555 -6.158 -1.087) 7.193 25.953 ( -3.057 -5.295 1.616) 6.324 26.014 ( -0.546 -0.946 2.150) 2.412 26.195 ( 1.405 2.434 -0.146) 2.815 26.260 ( 0.026 0.045 -2.402) 2.402 26.331 ( 1.352 2.342 0.032) 2.705 ======================= Grid point 238 (50/52) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -2.667 -4.490 -11.981) 13.070 3.030 ( -1.082 -4.462 2.695) 5.323 3.095 ( 4.986 3.102 6.172) 8.519 3.412 ( 1.670 11.201 -6.808) 13.214 3.870 ( 1.597 -2.926 0.296) 3.346 4.063 ( -0.422 -2.710 3.860) 4.735 4.246 ( -4.681 5.056 -1.274) 7.007 4.408 ( 0.678 -0.146 0.422) 0.811 4.594 ( -0.812 0.505 4.044) 4.156 4.694 ( 4.389 -0.790 4.005) 5.994 4.997 ( -0.622 -3.380 1.177) 3.633 5.100 ( 3.479 -13.166 3.952) 14.180 5.256 ( -1.979 7.403 1.937) 7.904 5.372 ( 4.049 -4.462 -0.794) 6.078 5.692 ( -9.651 5.104 -5.358) 12.162 5.856 ( 0.760 1.922 0.259) 2.083 5.968 ( -6.176 -0.909 -1.157) 6.349 6.008 ( -2.556 -3.695 1.762) 4.826 6.514 ( 2.264 0.461 -2.726) 3.573 6.664 ( -5.597 2.064 6.927) 9.141 6.771 ( 0.914 1.016 10.295) 10.385 6.884 ( 2.847 2.322 -6.262) 7.260 7.099 ( 11.096 0.833 -19.807) 22.719 7.338 ( 0.651 4.379 12.923) 13.661 7.555 ( -1.641 -1.869 -5.328) 5.880 7.589 ( 0.559 -3.209 -1.080) 3.432 7.716 ( 0.359 -0.371 -10.759) 10.771 7.765 ( 1.918 0.802 8.978) 9.215 7.906 ( 0.570 -1.553 -8.573) 8.731 7.957 ( 3.525 -0.976 3.384) 4.983 8.202 ( -8.168 -3.936 -1.464) 9.185 8.258 ( -7.134 -6.030 7.864) 12.211 8.299 ( -4.261 -5.883 1.459) 7.409 8.643 ( -19.247 0.163 0.825) 19.265 9.229 ( 7.488 -7.119 -1.486) 10.438 9.326 ( 6.011 -6.535 3.276) 9.464 9.561 ( -3.395 -12.063 -1.430) 12.613 9.682 ( -1.725 -8.681 8.712) 12.419 9.811 ( 2.661 5.925 7.690) 10.066 10.137 ( -4.510 10.950 -17.345) 21.002 10.358 ( -4.453 1.668 -15.919) 16.614 10.555 ( 4.599 -3.607 2.898) 6.524 10.588 ( -0.771 2.459 32.861) 32.962 10.940 ( -3.381 10.293 -20.890) 23.532 11.264 ( 6.217 5.164 -2.874) 8.577 11.418 ( 4.847 8.825 6.242) 11.846 11.606 ( 6.321 0.062 -8.289) 10.425 11.677 ( 6.135 -3.020 -6.185) 9.221 11.862 ( 5.791 10.300 2.854) 12.156 11.987 ( 4.066 9.173 9.045) 13.509 12.597 ( -6.043 -8.343 -5.488) 11.672 12.632 ( -6.285 -6.797 5.866) 10.959 21.726 ( 2.028 2.399 -4.294) 5.321 21.786 ( 0.659 4.000 5.029) 6.459 21.990 ( 5.261 5.096 -4.501) 8.597 22.019 ( 6.490 7.511 3.043) 10.382 22.267 ( -0.986 -3.247 -4.801) 5.880 22.354 ( -3.546 -0.177 3.507) 4.990 22.437 ( 1.213 -1.054 2.206) 2.729 22.460 ( 0.337 -0.789 0.116) 0.866 22.581 ( 2.422 3.599 1.320) 4.535 22.600 ( 2.202 3.936 1.533) 4.764 23.086 ( -2.677 -7.188 -1.482) 7.812 23.128 ( -2.235 -7.051 3.901) 8.363 23.301 ( -2.337 2.192 -3.562) 4.791 23.325 ( -1.488 1.339 -1.197) 2.332 23.757 ( -0.694 -2.267 -3.594) 4.305 23.868 ( -5.246 1.949 0.725) 5.643 24.110 ( 6.354 -5.140 -2.154) 8.452 24.313 ( -0.308 -0.437 -1.193) 1.307 24.466 ( 0.172 2.066 3.864) 4.385 24.554 ( -1.339 3.399 1.415) 3.918 24.711 ( 1.353 0.253 -4.096) 4.321 24.781 ( -2.434 1.943 -0.376) 3.137 24.862 ( 0.863 -3.022 -3.446) 4.663 24.894 ( -0.883 -1.341 7.915) 8.076 24.931 ( 0.773 -1.109 0.957) 1.656 24.989 ( -0.080 0.529 -1.124) 1.245 25.751 ( -1.398 -3.269 -0.371) 3.575 25.834 ( -4.770 -2.023 1.169) 5.312 26.024 ( 2.480 -2.516 3.727) 5.135 26.200 ( -3.084 3.514 -1.772) 5.000 26.283 ( 2.815 -1.911 -0.273) 3.413 26.361 ( 0.080 1.383 -2.028) 2.456 ======================= Grid point 240 (51/52) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 2.016 -3.492 -9.524) 10.342 2.989 ( 3.347 -5.797 2.711) 7.222 3.196 ( -2.900 5.023 1.762) 6.062 3.503 ( -6.463 11.195 -5.292) 13.968 3.888 ( 3.000 -5.197 -2.557) 6.523 3.998 ( 2.712 -4.697 4.055) 6.772 4.255 ( -5.217 9.036 -0.083) 10.435 4.309 ( -3.099 5.367 2.718) 6.768 4.628 ( 6.138 -10.631 -0.594) 12.290 4.660 ( 6.120 -10.601 5.147) 13.279 4.997 ( 3.793 -6.569 6.559) 10.028 5.140 ( 3.791 -6.566 -0.545) 7.601 5.308 ( -2.318 4.015 2.991) 5.517 5.401 ( -3.886 6.732 7.637) 10.897 5.706 ( -7.678 13.299 -7.647) 17.155 5.718 ( -3.011 5.216 -0.061) 6.023 5.918 ( 2.498 -4.327 -1.659) 5.264 5.962 ( 0.410 -0.711 -3.335) 3.435 6.563 ( -1.704 2.951 -1.651) 3.786 6.580 ( -1.421 2.461 0.201) 2.849 6.810 ( 1.759 -3.047 7.113) 7.935 6.896 ( 1.994 -3.453 4.118) 5.732 7.292 ( 1.621 -2.808 -20.644) 20.897 7.384 ( -1.096 1.899 6.139) 6.519 7.525 ( -0.094 0.163 -10.819) 10.821 7.620 ( -2.637 4.568 10.355) 11.621 7.714 ( 0.502 -0.869 19.430) 19.456 7.738 ( 2.716 -4.705 -16.052) 16.947 7.899 ( 4.798 -8.311 -15.681) 18.385 8.003 ( 1.736 -3.008 10.358) 10.925 8.046 ( -2.011 3.483 -4.111) 5.751 8.176 ( 0.222 -0.385 -5.902) 5.919 8.263 ( -3.520 6.096 17.091) 18.484 8.387 ( -4.306 7.458 -3.620) 9.342 9.280 ( 6.903 -11.956 -2.230) 13.985 9.360 ( 4.239 -7.343 10.614) 13.585 9.452 ( 6.543 -11.332 -8.762) 15.748 9.608 ( 3.899 -6.753 13.805) 15.856 9.905 ( -5.529 9.576 9.907) 14.847 10.134 ( -7.150 12.384 -15.803) 21.312 10.326 ( -0.133 0.231 -25.334) 25.336 10.568 ( 0.943 -1.633 21.405) 21.488 10.605 ( -0.802 1.390 16.959) 17.035 10.963 ( -7.243 12.545 -20.300) 24.939 11.363 ( -0.490 0.849 -3.787) 3.912 11.508 ( -1.762 3.051 6.577) 7.461 11.679 ( 2.954 -5.116 -7.619) 9.641 11.705 ( 4.519 -7.827 -7.616) 11.819 11.979 ( -2.727 4.724 4.138) 6.847 12.079 ( -2.370 4.104 8.205) 9.475 12.484 ( 1.499 -2.597 -3.628) 4.707 12.520 ( 0.994 -1.722 4.302) 4.739 21.761 ( -0.763 1.322 -3.861) 4.151 21.812 ( -1.377 2.385 4.118) 4.954 22.090 ( -0.659 1.141 -1.159) 1.755 22.114 ( -0.781 1.352 -2.582) 3.018 22.258 ( 0.836 -1.448 0.736) 1.827 22.286 ( -0.633 1.096 0.849) 1.524 22.438 ( 1.010 -1.750 1.894) 2.769 22.457 ( 0.909 -1.574 -0.724) 1.957 22.631 ( -1.322 2.290 2.328) 3.524 22.648 ( -1.563 2.706 2.809) 4.202 23.019 ( 3.142 -5.443 -1.389) 6.436 23.058 ( 3.278 -5.678 3.361) 7.368 23.298 ( -2.327 4.031 -2.665) 5.363 23.308 ( -1.935 3.352 -2.968) 4.877 23.744 ( 0.532 -0.921 -4.524) 4.647 23.828 ( -2.387 4.135 0.436) 4.794 24.160 ( 4.590 -7.950 1.718) 9.339 24.278 ( 2.006 -3.475 -4.857) 6.300 24.522 ( -3.046 5.275 -3.071) 6.822 24.525 ( -2.376 4.116 7.629) 8.988 24.746 ( -0.416 0.720 -3.614) 3.709 24.753 ( -0.166 0.288 1.417) 1.456 24.851 ( 1.272 -2.202 -6.485) 6.966 24.874 ( 0.330 -0.571 9.235) 9.258 24.939 ( 0.689 -1.194 3.067) 3.363 24.987 ( 0.160 -0.278 -2.106) 2.130 25.727 ( 0.413 -0.715 0.163) 0.842 25.775 ( -0.091 0.158 0.728) 0.750 26.035 ( 1.562 -2.706 4.779) 5.710 26.188 ( -1.997 3.459 -2.664) 4.801 26.299 ( 1.266 -2.192 0.653) 2.614 26.368 ( -0.536 0.929 -3.057) 3.239 ======================= Grid point 254 (52/52) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -1.053 -1.823 -8.488) 8.745 2.892 ( -2.894 -5.012 -0.095) 5.789 3.282 ( 5.474 9.481 -1.189) 11.011 3.657 ( 6.884 11.924 -3.932) 14.319 3.809 ( -1.948 -3.375 -4.327) 5.823 3.949 ( -4.578 -7.930 4.622) 10.258 4.344 ( 1.430 2.476 1.121) 3.071 4.428 ( 0.632 1.094 2.191) 2.529 4.463 ( -4.025 -6.971 5.757) 9.896 4.518 ( -5.190 -8.990 0.045) 10.381 4.956 ( -0.093 -0.161 5.224) 5.227 5.010 ( -0.282 -0.488 3.507) 3.552 5.366 ( 5.137 8.897 7.341) 12.627 5.518 ( 2.054 3.557 10.431) 11.210 5.693 ( -4.311 -7.466 -0.703) 8.650 5.843 ( 3.644 6.311 -4.689) 8.666 5.939 ( -0.277 -0.479 -7.439) 7.460 5.979 ( -1.127 -1.952 -4.898) 5.391 6.576 ( 1.983 3.434 -1.416) 4.211 6.645 ( -2.350 -4.071 -0.356) 4.714 6.784 ( -0.025 -0.043 8.771) 8.771 6.814 ( -1.589 -2.752 3.401) 4.655 7.232 ( 2.523 4.370 -26.061) 26.545 7.381 ( -0.064 -0.111 8.524) 8.525 7.563 ( 2.712 4.697 -16.578) 17.443 7.643 ( 4.596 7.961 14.929) 17.532 7.708 ( -0.938 -1.625 -17.062) 17.165 7.720 ( -1.140 -1.975 0.375) 2.311 7.841 ( -2.572 -4.455 4.050) 6.547 7.920 ( -3.533 -6.120 14.613) 16.232 8.108 ( -0.127 -0.221 2.684) 2.696 8.163 ( -1.216 -2.107 -7.044) 7.452 8.323 ( 2.760 4.781 10.141) 11.546 8.535 ( -6.101 -10.567 -0.469) 12.211 9.079 ( -2.306 -3.994 -16.992) 17.607 9.280 ( 0.853 1.478 7.299) 7.496 9.346 ( -3.829 -6.632 1.985) 7.910 9.498 ( -4.176 -7.234 20.307) 21.958 10.040 ( 6.316 10.939 10.345) 16.326 10.262 ( 1.199 2.077 -36.357) 36.436 10.430 ( -1.247 -2.160 4.169) 4.859 10.449 ( 0.338 0.585 -6.760) 6.794 10.618 ( -0.346 -0.598 30.369) 30.377 11.136 ( 4.349 7.532 -17.939) 19.936 11.413 ( 4.511 7.814 -7.340) 11.631 11.537 ( 1.309 2.268 5.912) 6.466 11.580 ( -1.699 -2.942 -10.243) 10.792 11.586 ( -2.329 -4.033 -2.557) 5.313 12.043 ( 3.754 6.502 4.666) 8.839 12.109 ( 1.396 2.418 8.257) 8.717 12.462 ( -2.022 -3.502 -2.501) 4.754 12.500 ( -3.068 -5.315 3.714) 7.173 21.785 ( 1.658 2.872 -2.369) 4.076 21.831 ( 0.066 0.114 1.669) 1.675 22.097 ( 3.178 5.504 -2.722) 6.914 22.158 ( 2.657 4.602 2.474) 5.862 22.202 ( -1.694 -2.933 -4.066) 5.292 22.321 ( -1.367 -2.368 1.868) 3.311 22.419 ( -0.343 -0.595 1.185) 1.370 22.428 ( -0.991 -1.717 1.638) 2.572 22.664 ( 2.032 3.519 4.451) 6.026 22.682 ( 1.970 3.413 2.770) 4.817 22.959 ( -2.401 -4.158 -1.107) 4.928 22.986 ( -3.263 -5.651 1.932) 6.805 23.343 ( 0.776 1.344 -4.302) 4.573 23.349 ( 0.468 0.811 -2.796) 2.949 23.734 ( -0.264 -0.457 -5.946) 5.970 23.918 ( 1.493 2.587 1.873) 3.526 24.026 ( -1.622 -2.810 0.443) 3.274 24.239 ( -2.108 -3.651 -5.982) 7.319 24.560 ( 2.782 4.819 4.786) 7.340 24.607 ( 0.526 0.910 3.688) 3.835 24.732 ( 0.941 1.630 -3.025) 3.563 24.791 ( -1.460 -2.529 -2.521) 3.858 24.797 ( -0.663 -1.148 -5.136) 5.304 24.867 ( -0.600 -1.039 10.052) 10.123 24.933 ( 0.784 1.358 1.324) 2.052 24.977 ( -0.813 -1.409 -0.722) 1.779 25.724 ( 0.288 0.499 0.329) 0.664 25.774 ( -1.781 -3.084 0.763) 3.642 26.007 ( 0.053 0.093 5.432) 5.433 26.243 ( 0.029 0.051 -1.556) 1.557 26.256 ( 0.111 0.192 -0.581) 0.622 26.377 ( 0.173 0.300 -3.566) 3.582 =================== 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 3/32928 10.0 2023.065 2023.065 393.862 0.000 -0.000 -0.000 3/32928 20.0 875.413 875.413 846.613 0.000 -0.000 -0.000 3/32928 30.0 426.679 426.679 598.267 0.000 -0.000 -0.000 3/32928 40.0 247.229 247.229 410.028 0.000 -0.000 -0.000 3/32928 50.0 161.095 161.095 295.825 0.000 -0.000 -0.000 3/32928 60.0 114.556 114.556 223.694 0.000 -0.000 -0.000 3/32928 70.0 86.895 86.895 176.627 0.000 -0.000 -0.000 3/32928 80.0 69.178 69.178 144.714 0.000 -0.000 -0.000 3/32928 90.0 57.135 57.135 122.187 0.000 -0.000 -0.000 3/32928 100.0 48.545 48.545 105.669 0.000 -0.000 -0.000 3/32928 110.0 42.168 42.168 93.135 0.000 -0.000 -0.000 3/32928 120.0 37.274 37.274 83.337 0.000 -0.000 -0.000 3/32928 130.0 33.410 33.410 75.476 0.000 0.000 -0.000 3/32928 140.0 30.287 30.287 69.027 0.000 0.000 -0.000 3/32928 150.0 27.710 27.710 63.637 0.000 0.000 -0.000 3/32928 160.0 25.547 25.547 59.059 0.000 0.000 -0.000 3/32928 170.0 23.704 23.704 55.118 0.000 0.000 -0.000 3/32928 180.0 22.115 22.115 51.685 0.000 0.000 -0.000 3/32928 190.0 20.729 20.729 48.666 0.000 0.000 -0.000 3/32928 200.0 19.510 19.510 45.988 0.000 0.000 -0.000 3/32928 210.0 18.429 18.429 43.596 0.000 0.000 -0.000 3/32928 220.0 17.462 17.462 41.444 0.000 0.000 -0.000 3/32928 230.0 16.594 16.594 39.498 0.000 0.000 -0.000 3/32928 240.0 15.808 15.808 37.730 0.000 0.000 -0.000 3/32928 250.0 15.095 15.095 36.116 0.000 0.000 -0.000 3/32928 260.0 14.444 14.444 34.636 0.000 0.000 -0.000 3/32928 270.0 13.848 13.848 33.275 0.000 0.000 -0.000 3/32928 280.0 13.300 13.300 32.018 0.000 0.000 -0.000 3/32928 290.0 12.794 12.794 30.855 0.000 0.000 -0.000 3/32928 300.0 12.326 12.326 29.775 0.000 0.000 -0.000 3/32928 310.0 11.891 11.891 28.769 0.000 0.000 -0.000 3/32928 320.0 11.487 11.487 27.830 0.000 0.000 -0.000 3/32928 330.0 11.109 11.109 26.952 0.000 0.000 -0.000 3/32928 340.0 10.756 10.756 26.128 0.000 0.000 -0.000 3/32928 350.0 10.426 10.426 25.355 0.000 0.000 -0.000 3/32928 360.0 10.115 10.115 24.626 0.000 0.000 -0.000 3/32928 370.0 9.823 9.823 23.940 0.000 0.000 -0.000 3/32928 380.0 9.547 9.547 23.291 0.000 0.000 -0.000 3/32928 390.0 9.287 9.287 22.677 0.000 0.000 -0.000 3/32928 400.0 9.041 9.041 22.096 0.000 0.000 -0.000 3/32928 410.0 8.808 8.808 21.544 0.000 0.000 -0.000 3/32928 420.0 8.587 8.587 21.020 0.000 0.000 -0.000 3/32928 430.0 8.377 8.377 20.521 0.000 0.000 -0.000 3/32928 440.0 8.177 8.177 20.046 0.000 0.000 -0.000 3/32928 450.0 7.987 7.987 19.593 0.000 0.000 -0.000 3/32928 460.0 7.806 7.806 19.160 0.000 0.000 -0.000 3/32928 470.0 7.633 7.633 18.746 0.000 0.000 -0.000 3/32928 480.0 7.467 7.467 18.350 0.000 0.000 -0.000 3/32928 490.0 7.309 7.309 17.971 0.000 0.000 -0.000 3/32928 500.0 7.157 7.157 17.608 0.000 0.000 -0.000 3/32928 510.0 7.012 7.012 17.259 0.000 0.000 -0.000 3/32928 520.0 6.873 6.873 16.924 0.000 0.000 -0.000 3/32928 530.0 6.739 6.739 16.602 0.000 0.000 -0.000 3/32928 540.0 6.610 6.610 16.292 0.000 0.000 -0.000 3/32928 550.0 6.487 6.487 15.994 0.000 0.000 -0.000 3/32928 560.0 6.367 6.367 15.707 0.000 0.000 -0.000 3/32928 570.0 6.253 6.253 15.430 0.000 0.000 -0.000 3/32928 580.0 6.142 6.142 15.162 0.000 0.000 -0.000 3/32928 590.0 6.036 6.036 14.904 0.000 0.000 -0.000 3/32928 600.0 5.933 5.933 14.655 0.000 0.000 -0.000 3/32928 610.0 5.833 5.833 14.414 0.000 0.000 -0.000 3/32928 620.0 5.737 5.737 14.181 0.000 0.000 -0.000 3/32928 630.0 5.644 5.644 13.956 0.000 0.000 -0.000 3/32928 640.0 5.555 5.555 13.738 0.000 0.000 -0.000 3/32928 650.0 5.468 5.468 13.526 0.000 0.000 -0.000 3/32928 660.0 5.383 5.383 13.321 0.000 0.000 -0.000 3/32928 670.0 5.302 5.302 13.123 0.000 0.000 -0.000 3/32928 680.0 5.222 5.222 12.930 0.000 0.000 -0.000 3/32928 690.0 5.146 5.146 12.743 0.000 0.000 -0.000 3/32928 700.0 5.071 5.071 12.561 0.000 0.000 -0.000 3/32928 710.0 4.999 4.999 12.384 0.000 0.000 -0.000 3/32928 720.0 4.928 4.928 12.213 0.000 0.000 -0.000 3/32928 730.0 4.860 4.860 12.046 0.000 0.000 -0.000 3/32928 740.0 4.793 4.793 11.883 0.000 0.000 -0.000 3/32928 750.0 4.729 4.729 11.725 0.000 0.000 -0.000 3/32928 760.0 4.666 4.666 11.572 0.000 0.000 -0.000 3/32928 770.0 4.605 4.605 11.422 0.000 0.000 -0.000 3/32928 780.0 4.545 4.545 11.276 0.000 0.000 -0.000 3/32928 790.0 4.487 4.487 11.134 0.000 0.000 -0.000 3/32928 800.0 4.431 4.431 10.995 0.000 0.000 -0.000 3/32928 810.0 4.375 4.375 10.860 0.000 0.000 -0.000 3/32928 820.0 4.322 4.322 10.728 0.000 0.000 -0.000 3/32928 830.0 4.269 4.269 10.600 0.000 0.000 -0.000 3/32928 840.0 4.218 4.218 10.474 0.000 0.000 -0.000 3/32928 850.0 4.168 4.168 10.352 0.000 0.000 -0.000 3/32928 860.0 4.119 4.119 10.232 0.000 0.000 -0.000 3/32928 870.0 4.072 4.072 10.115 0.000 0.000 -0.000 3/32928 880.0 4.025 4.025 10.001 0.000 0.000 -0.000 3/32928 890.0 3.980 3.980 9.889 0.000 0.000 -0.000 3/32928 900.0 3.935 3.935 9.780 0.000 0.000 -0.000 3/32928 910.0 3.892 3.892 9.673 0.000 0.000 -0.000 3/32928 920.0 3.849 3.849 9.569 0.000 0.000 -0.000 3/32928 930.0 3.808 3.808 9.466 0.000 0.000 -0.000 3/32928 940.0 3.767 3.767 9.366 0.000 0.000 -0.000 3/32928 950.0 3.727 3.727 9.268 0.000 0.000 -0.000 3/32928 960.0 3.688 3.688 9.172 0.000 0.000 -0.000 3/32928 970.0 3.650 3.650 9.079 0.000 0.000 -0.000 3/32928 980.0 3.613 3.613 8.987 0.000 0.000 -0.000 3/32928 990.0 3.576 3.576 8.896 0.000 0.000 -0.000 3/32928 1000.0 3.540 3.540 8.808 0.000 0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:32:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|